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 1tju_1_C DATA FIRST_RESID 19 DATA SEQUENCE TDPIMEKLNS SIAYDQRLSE VDIQGSMAYA KALEKAGILT KTELEKILSG DATA SEQUENCE LEKISEEWSK GVFVVKQSDE DIHTANERRL KELIGDIAGK LHTGRSRNDQ DATA SEQUENCE VVTDLKLFMK NSLSIISTHL LQLIKTLVER AAIEIDVILP GYSHLQKAQP DATA SEQUENCE IRWSQFLLSH AVALTRDSER LGEVKKRINV LPLGSGALAG NPLDIDREML DATA SEQUENCE RSELEFASIS LNSMDAISER DFVVEFLSFA TLLMIHLSKM AEDLIIYSTS DATA SEQUENCE EFGFLTLSDA FSTGSSLMPQ KKNPDSLELI RSKAGRVFGR LASILMVLKG DATA SEQUENCE LPSTYNKDLQ EDKEAVFDVV DTLTAVLQVA TGVISTLQIS KENMEKALTP DATA SEQUENCE EMLATDLALY LVRKGVPFRQ AHTASGKAVH LAETKGITIN KLSLEDLKSI DATA SEQUENCE SPQFSSDVSQ VFNFVNSVEQ YTALAGTAKS SVTTQIEQLR ELMKKQKEQA 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 19 T HA 0.000 nan 4.350 nan 0.000 0.228 19 T C 0.000 174.706 174.700 0.010 0.000 1.109 19 T CA 0.000 62.105 62.100 0.009 0.000 1.349 19 T CB 0.000 68.872 68.868 0.007 0.000 0.612 20 D N 4.203 124.609 120.400 0.010 0.000 2.493 20 D HA 0.096 4.736 4.640 0.001 0.000 0.240 20 D C -0.924 175.383 176.300 0.012 0.000 1.142 20 D CA -1.186 52.820 54.000 0.010 0.000 0.872 20 D CB 1.220 42.026 40.800 0.009 0.000 1.173 20 D HN 0.068 nan 8.370 nan 0.000 0.467 21 P HA -0.196 nan 4.420 nan 0.000 0.215 21 P C 1.563 178.872 177.300 0.016 0.000 1.157 21 P CA 1.304 64.412 63.100 0.013 0.000 0.868 21 P CB 0.105 31.812 31.700 0.012 0.000 0.788 22 I N -1.460 119.118 120.570 0.014 0.000 2.315 22 I HA -0.196 3.974 4.170 0.001 0.000 0.248 22 I C 2.796 178.924 176.117 0.018 0.000 1.117 22 I CA 1.124 62.433 61.300 0.016 0.000 1.404 22 I CB -0.588 37.420 38.000 0.013 0.000 1.071 22 I HN -0.127 nan 8.210 nan 0.000 0.419 23 M N 0.442 120.051 119.600 0.016 0.000 2.080 23 M HA -0.216 4.265 4.480 0.001 0.000 0.260 23 M C 2.241 178.553 176.300 0.021 0.000 1.068 23 M CA 1.895 57.205 55.300 0.017 0.000 1.109 23 M CB -0.945 31.663 32.600 0.014 0.000 1.342 23 M HN 0.256 nan 8.290 nan 0.000 0.405 24 E N -0.493 119.718 120.200 0.020 0.000 2.118 24 E HA -0.243 4.107 4.350 0.001 0.000 0.195 24 E C 2.044 178.659 176.600 0.025 0.000 0.992 24 E CA 1.163 57.576 56.400 0.021 0.000 0.804 24 E CB -0.231 29.481 29.700 0.019 0.000 0.741 24 E HN 0.474 nan 8.360 nan 0.000 0.458 25 K N 1.143 121.559 120.400 0.027 0.000 2.057 25 K HA -0.121 4.199 4.320 0.001 0.000 0.207 25 K C 2.169 178.796 176.600 0.044 0.000 1.049 25 K CA 0.794 57.101 56.287 0.034 0.000 0.931 25 K CB -0.020 32.499 32.500 0.032 0.000 0.714 25 K HN 0.074 nan 8.250 nan 0.000 0.440 26 L N 0.992 122.239 121.223 0.040 0.000 2.131 26 L HA -0.160 4.180 4.340 0.001 0.000 0.210 26 L C 1.788 178.693 176.870 0.057 0.000 1.092 26 L CA 0.835 55.704 54.840 0.048 0.000 0.759 26 L CB -0.337 41.742 42.059 0.034 0.000 0.903 26 L HN 0.280 nan 8.230 nan 0.000 0.435 27 N N -0.679 118.047 118.700 0.043 0.000 2.412 27 N HA -0.040 4.700 4.740 0.001 0.000 0.184 27 N C 0.725 176.254 175.510 0.031 0.000 1.101 27 N CA 0.173 53.247 53.050 0.041 0.000 0.881 27 N CB 0.309 38.815 38.487 0.031 0.000 0.969 27 N HN 0.051 nan 8.380 nan 0.000 0.459 28 S N 0.305 116.021 115.700 0.026 0.000 2.505 28 S HA 0.192 4.662 4.470 0.001 0.000 0.276 28 S C 1.130 175.686 174.600 -0.073 0.000 1.274 28 S CA -0.412 57.782 58.200 -0.009 0.000 1.053 28 S CB 0.526 63.729 63.200 0.005 0.000 0.919 28 S HN 0.322 nan 8.310 nan 0.000 0.490 29 S N 4.407 119.980 115.700 -0.212 0.000 2.687 29 S HA 0.079 4.549 4.470 0.001 0.000 0.247 29 S C 1.395 175.588 174.600 -0.678 0.000 1.050 29 S CA -0.144 57.653 58.200 -0.671 0.000 1.063 29 S CB -0.459 62.445 63.200 -0.493 0.000 1.039 29 S HN 0.658 nan 8.310 nan 0.000 0.580 30 I N 3.333 123.734 120.570 -0.282 0.000 2.399 30 I HA -0.108 4.062 4.170 0.001 0.000 0.254 30 I C 2.365 178.389 176.117 -0.155 0.000 1.146 30 I CA 1.324 62.527 61.300 -0.161 0.000 1.412 30 I CB -0.579 37.403 38.000 -0.029 0.000 1.076 30 I HN 0.420 nan 8.210 nan 0.000 0.432 31 A N -0.247 122.476 122.820 -0.163 0.000 2.019 31 A HA -0.195 4.125 4.320 0.001 0.000 0.219 31 A C 1.939 179.540 177.584 0.029 0.000 1.164 31 A CA 2.067 54.087 52.037 -0.028 0.000 0.644 31 A CB -0.881 18.153 19.000 0.057 0.000 0.805 31 A HN 0.760 nan 8.150 nan 0.000 0.449 32 Y N -2.046 118.273 120.300 0.031 0.000 2.423 32 Y HA 0.270 4.820 4.550 0.001 0.000 0.257 32 Y C 0.817 176.694 175.900 -0.038 0.000 1.087 32 Y CA -0.256 57.853 58.100 0.016 0.000 1.258 32 Y CB -0.229 38.292 38.460 0.102 0.000 1.237 32 Y HN 0.261 nan 8.280 nan 0.000 0.517 33 D N 0.639 120.968 120.400 -0.118 0.000 2.325 33 D HA -0.026 4.614 4.640 0.001 0.000 0.225 33 D C 1.047 177.205 176.300 -0.236 0.000 1.096 33 D CA 0.126 54.111 54.000 -0.026 0.000 0.844 33 D CB -0.097 40.714 40.800 0.017 0.000 0.925 33 D HN 0.528 nan 8.370 nan 0.000 0.513 34 Q N 0.373 120.000 119.800 -0.289 0.000 2.224 34 Q HA -0.101 4.239 4.340 0.001 0.000 0.203 34 Q C 1.984 177.648 176.000 -0.559 0.000 0.970 34 Q CA 1.016 56.552 55.803 -0.445 0.000 0.865 34 Q CB -0.124 28.450 28.738 -0.274 0.000 0.922 34 Q HN 0.486 nan 8.270 nan 0.000 0.445 35 R N 0.494 120.713 120.500 -0.468 0.000 2.341 35 R HA -0.092 4.249 4.340 0.001 0.000 0.213 35 R C 1.285 177.355 176.300 -0.384 0.000 1.082 35 R CA 0.866 56.710 56.100 -0.427 0.000 1.017 35 R CB -0.355 29.646 30.300 -0.498 0.000 0.860 35 R HN 0.265 nan 8.270 nan 0.000 0.473 36 L N 2.156 123.130 121.223 -0.416 0.000 2.611 36 L HA 0.050 4.390 4.340 0.001 0.000 0.229 36 L C 2.161 178.784 176.870 -0.412 0.000 1.137 36 L CA 0.253 54.914 54.840 -0.298 0.000 0.901 36 L CB -0.070 41.862 42.059 -0.210 0.000 1.098 36 L HN 0.290 nan 8.230 nan 0.000 0.456 37 S N 0.511 115.817 115.700 -0.656 0.000 2.369 37 S HA -0.307 4.164 4.470 0.001 0.000 0.225 37 S C 1.847 176.124 174.600 -0.538 0.000 1.043 37 S CA 1.760 59.397 58.200 -0.938 0.000 1.074 37 S CB -0.303 61.779 63.200 -1.863 0.000 0.962 37 S HN 0.458 nan 8.310 nan 0.000 0.433 38 E N 1.594 121.573 120.200 -0.368 0.000 2.077 38 E HA -0.116 4.235 4.350 0.001 0.000 0.193 38 E C 2.112 178.642 176.600 -0.118 0.000 0.989 38 E CA 1.734 58.029 56.400 -0.174 0.000 0.800 38 E CB -0.658 28.981 29.700 -0.101 0.000 0.746 38 E HN 0.630 nan 8.360 nan 0.000 0.452 39 V N -0.834 119.018 119.914 -0.103 0.000 2.626 39 V HA -0.139 3.982 4.120 0.001 0.000 0.252 39 V C 2.050 178.104 176.094 -0.067 0.000 1.067 39 V CA 2.150 64.420 62.300 -0.049 0.000 1.081 39 V CB -0.797 31.038 31.823 0.019 0.000 0.686 39 V HN 0.200 nan 8.190 nan 0.000 0.468 40 D N 0.643 120.955 120.400 -0.147 0.000 2.144 40 D HA -0.115 4.525 4.640 0.001 0.000 0.200 40 D C 1.904 178.142 176.300 -0.104 0.000 0.978 40 D CA 1.755 55.651 54.000 -0.173 0.000 0.833 40 D CB -0.252 40.336 40.800 -0.353 0.000 0.961 40 D HN 0.518 nan 8.370 nan 0.000 0.470 41 I N 0.136 120.650 120.570 -0.093 0.000 2.315 41 I HA -0.227 3.943 4.170 0.001 0.000 0.248 41 I C 2.397 178.511 176.117 -0.004 0.000 1.117 41 I CA 0.897 62.181 61.300 -0.027 0.000 1.404 41 I CB -0.270 37.731 38.000 0.001 0.000 1.071 41 I HN 0.133 nan 8.210 nan 0.000 0.419 42 Q N 0.453 120.246 119.800 -0.013 0.000 2.084 42 Q HA -0.141 4.199 4.340 0.001 0.000 0.202 42 Q C 2.381 178.400 176.000 0.030 0.000 0.978 42 Q CA 1.592 57.398 55.803 0.005 0.000 0.844 42 Q CB -0.421 28.311 28.738 -0.011 0.000 0.898 42 Q HN 0.632 nan 8.270 nan 0.000 0.426 43 G N 0.061 108.879 108.800 0.030 0.000 2.422 43 G HA2 -0.245 3.715 3.960 0.001 0.000 0.218 43 G HA3 -0.245 3.715 3.960 0.001 0.000 0.218 43 G C 1.495 176.439 174.900 0.073 0.000 1.146 43 G CA 0.933 46.069 45.100 0.059 0.000 0.769 43 G HN 0.223 nan 8.290 nan 0.000 0.547 44 S N 0.298 116.025 115.700 0.044 0.000 2.355 44 S HA -0.050 4.420 4.470 0.001 0.000 0.222 44 S C 2.430 177.090 174.600 0.100 0.000 1.031 44 S CA 1.296 59.538 58.200 0.069 0.000 0.993 44 S CB -0.251 62.967 63.200 0.030 0.000 0.859 44 S HN 0.359 nan 8.310 nan 0.000 0.453 45 M N 1.149 120.789 119.600 0.067 0.000 2.080 45 M HA -0.139 4.341 4.480 0.001 0.000 0.260 45 M C 2.513 178.850 176.300 0.062 0.000 1.068 45 M CA 1.630 56.964 55.300 0.055 0.000 1.109 45 M CB -0.615 32.007 32.600 0.038 0.000 1.342 45 M HN 0.396 nan 8.290 nan 0.000 0.405 46 A N -0.793 122.074 122.820 0.078 0.000 1.933 46 A HA -0.215 4.105 4.320 0.001 0.000 0.218 46 A C 1.991 179.639 177.584 0.106 0.000 1.175 46 A CA 1.459 53.546 52.037 0.084 0.000 0.628 46 A CB -0.971 18.091 19.000 0.103 0.000 0.814 46 A HN 0.557 nan 8.150 nan 0.000 0.444 47 Y N 0.321 120.628 120.300 0.011 0.000 2.220 47 Y HA 0.044 4.594 4.550 0.001 0.000 0.291 47 Y C 2.694 178.597 175.900 0.006 0.000 1.129 47 Y CA 0.710 58.814 58.100 0.006 0.000 1.161 47 Y CB -0.592 37.866 38.460 -0.003 0.000 0.997 47 Y HN 0.321 nan 8.280 nan 0.000 0.522 48 A N 0.611 123.456 122.820 0.041 0.000 1.859 48 A HA -0.284 4.037 4.320 0.001 0.000 0.217 48 A C 2.244 179.778 177.584 -0.083 0.000 1.198 48 A CA 2.403 54.425 52.037 -0.024 0.000 0.629 48 A CB -0.725 18.290 19.000 0.025 0.000 0.830 48 A HN 0.498 nan 8.150 nan 0.000 0.446 49 K N -0.439 119.933 120.400 -0.047 0.000 2.089 49 K HA -0.182 4.138 4.320 0.001 0.000 0.210 49 K C 2.233 178.779 176.600 -0.090 0.000 1.048 49 K CA 1.398 57.656 56.287 -0.050 0.000 0.926 49 K CB -0.413 32.075 32.500 -0.021 0.000 0.714 49 K HN 0.482 nan 8.250 nan 0.000 0.448 50 A N 1.193 123.930 122.820 -0.139 0.000 1.969 50 A HA -0.097 4.224 4.320 0.001 0.000 0.218 50 A C 2.080 179.526 177.584 -0.229 0.000 1.169 50 A CA 1.123 53.054 52.037 -0.177 0.000 0.635 50 A CB -0.480 18.393 19.000 -0.212 0.000 0.810 50 A HN 0.169 nan 8.150 nan 0.000 0.445 51 L N -0.861 120.181 121.223 -0.302 0.000 2.156 51 L HA -0.124 4.216 4.340 0.001 0.000 0.208 51 L C 2.708 179.504 176.870 -0.124 0.000 1.095 51 L CA 1.299 55.992 54.840 -0.245 0.000 0.770 51 L CB -0.365 41.547 42.059 -0.246 0.000 0.914 51 L HN 0.466 nan 8.230 nan 0.000 0.439 52 E N 1.119 121.261 120.200 -0.096 0.000 2.047 52 E HA -0.272 4.078 4.350 0.001 0.000 0.191 52 E C 2.094 178.663 176.600 -0.051 0.000 0.987 52 E CA 1.353 57.719 56.400 -0.057 0.000 0.799 52 E CB 0.103 29.778 29.700 -0.042 0.000 0.752 52 E HN 0.331 nan 8.360 nan 0.000 0.449 53 K N -0.071 120.294 120.400 -0.059 0.000 2.147 53 K HA -0.086 4.234 4.320 0.001 0.000 0.205 53 K C 1.785 178.358 176.600 -0.046 0.000 1.049 53 K CA 1.229 57.488 56.287 -0.046 0.000 0.936 53 K CB -0.114 32.358 32.500 -0.047 0.000 0.722 53 K HN 0.093 nan 8.250 nan 0.000 0.446 54 A N -0.295 122.488 122.820 -0.062 0.000 2.218 54 A HA 0.206 4.526 4.320 0.001 0.000 0.209 54 A C 1.381 178.942 177.584 -0.039 0.000 1.168 54 A CA 0.829 52.835 52.037 -0.052 0.000 0.804 54 A CB -0.231 18.728 19.000 -0.069 0.000 0.834 54 A HN 0.534 nan 8.150 nan 0.000 0.482 55 G N -0.618 108.159 108.800 -0.039 0.000 2.157 55 G HA2 -0.239 3.721 3.960 0.001 0.000 0.248 55 G HA3 -0.239 3.721 3.960 0.001 0.000 0.248 55 G C 0.695 175.581 174.900 -0.023 0.000 0.979 55 G CA 0.370 45.454 45.100 -0.026 0.000 0.650 55 G HN 0.334 nan 8.290 nan 0.000 0.529 56 I N -0.040 120.511 120.570 -0.032 0.000 2.546 56 I HA 0.213 4.383 4.170 0.001 0.000 0.255 56 I C 1.396 177.505 176.117 -0.013 0.000 1.163 56 I CA 1.078 62.367 61.300 -0.020 0.000 1.457 56 I CB -0.733 37.252 38.000 -0.025 0.000 1.092 56 I HN 0.233 nan 8.210 nan 0.000 0.434 57 L N 0.675 121.884 121.223 -0.023 0.000 2.386 57 L HA 0.307 4.647 4.340 0.001 0.000 0.271 57 L C 0.554 177.416 176.870 -0.014 0.000 0.993 57 L CA -0.626 54.205 54.840 -0.014 0.000 0.819 57 L CB 2.024 44.073 42.059 -0.017 0.000 1.294 57 L HN 0.050 nan 8.230 nan 0.000 0.414 58 T N -1.725 112.825 114.554 -0.007 0.000 2.802 58 T HA 0.049 4.399 4.350 0.001 0.000 0.305 58 T C 0.886 175.581 174.700 -0.007 0.000 1.053 58 T CA -0.421 61.675 62.100 -0.006 0.000 1.058 58 T CB 1.043 69.910 68.868 -0.002 0.000 0.988 58 T HN 0.693 nan 8.240 nan 0.000 0.539 59 K N 0.098 120.493 120.400 -0.008 0.000 2.442 59 K HA -0.053 4.267 4.320 0.001 0.000 0.198 59 K C 1.798 178.396 176.600 -0.004 0.000 1.044 59 K CA 1.119 57.402 56.287 -0.007 0.000 0.948 59 K CB -0.431 32.065 32.500 -0.007 0.000 0.762 59 K HN 0.728 nan 8.250 nan 0.000 0.472 60 T N 0.307 114.860 114.554 -0.002 0.000 2.983 60 T HA -0.003 4.347 4.350 0.001 0.000 0.250 60 T C 1.103 175.805 174.700 0.003 0.000 1.037 60 T CA 0.813 62.913 62.100 0.001 0.000 1.142 60 T CB 0.012 68.881 68.868 0.002 0.000 0.876 60 T HN 0.331 nan 8.240 nan 0.000 0.455 61 E N 1.243 121.446 120.200 0.004 0.000 2.110 61 E HA -0.110 4.241 4.350 0.001 0.000 0.193 61 E C 2.098 178.703 176.600 0.008 0.000 0.988 61 E CA 0.752 57.157 56.400 0.007 0.000 0.804 61 E CB -0.299 29.406 29.700 0.008 0.000 0.745 61 E HN 0.182 nan 8.360 nan 0.000 0.458 62 L N 1.879 123.103 121.223 0.003 0.000 1.971 62 L HA -0.285 4.055 4.340 0.001 0.000 0.215 62 L C 2.548 179.422 176.870 0.007 0.000 1.072 62 L CA 2.943 57.785 54.840 0.002 0.000 0.758 62 L CB -1.057 40.998 42.059 -0.006 0.000 0.889 62 L HN 0.211 nan 8.230 nan 0.000 0.433 63 E N -0.295 119.909 120.200 0.005 0.000 2.130 63 E HA -0.288 4.062 4.350 0.001 0.000 0.196 63 E C 2.290 178.897 176.600 0.011 0.000 0.998 63 E CA 2.651 59.056 56.400 0.007 0.000 0.806 63 E CB -1.276 28.427 29.700 0.005 0.000 0.738 63 E HN 0.704 nan 8.360 nan 0.000 0.459 64 K N 0.132 120.539 120.400 0.012 0.000 2.167 64 K HA 0.306 4.626 4.320 0.001 0.000 0.203 64 K C 2.261 178.874 176.600 0.021 0.000 1.052 64 K CA 1.016 57.312 56.287 0.015 0.000 0.956 64 K CB -0.367 32.141 32.500 0.013 0.000 0.735 64 K HN 0.529 nan 8.250 nan 0.000 0.451 65 I N 0.496 121.080 120.570 0.023 0.000 2.233 65 I HA -0.148 4.022 4.170 0.001 0.000 0.243 65 I C 2.433 178.570 176.117 0.033 0.000 1.093 65 I CA 0.869 62.187 61.300 0.031 0.000 1.380 65 I CB -0.081 37.939 38.000 0.032 0.000 1.067 65 I HN 0.179 nan 8.210 nan 0.000 0.413 66 L N -0.316 120.923 121.223 0.027 0.000 2.083 66 L HA -0.208 4.132 4.340 0.001 0.000 0.209 66 L C 2.702 179.590 176.870 0.029 0.000 1.083 66 L CA 1.259 56.116 54.840 0.028 0.000 0.752 66 L CB -0.606 41.465 42.059 0.020 0.000 0.899 66 L HN 0.236 nan 8.230 nan 0.000 0.433 67 S N 0.071 115.786 115.700 0.025 0.000 2.383 67 S HA -0.105 4.365 4.470 0.001 0.000 0.227 67 S C 1.986 176.605 174.600 0.031 0.000 1.026 67 S CA 1.301 59.515 58.200 0.024 0.000 0.981 67 S CB -0.304 62.907 63.200 0.018 0.000 0.818 67 S HN 0.514 nan 8.310 nan 0.000 0.472 68 G N 1.191 110.011 108.800 0.034 0.000 2.422 68 G HA2 -0.034 3.926 3.960 0.001 0.000 0.218 68 G HA3 -0.034 3.926 3.960 0.001 0.000 0.218 68 G C 1.400 176.335 174.900 0.059 0.000 1.140 68 G CA 0.607 45.731 45.100 0.041 0.000 0.775 68 G HN 0.504 nan 8.290 nan 0.000 0.545 69 L N 0.166 121.425 121.223 0.060 0.000 2.027 69 L HA -0.019 4.322 4.340 0.001 0.000 0.206 69 L C 2.843 179.761 176.870 0.080 0.000 1.074 69 L CA 1.119 56.004 54.840 0.074 0.000 0.745 69 L CB -0.391 41.703 42.059 0.059 0.000 0.898 69 L HN 0.273 nan 8.230 nan 0.000 0.433 70 E N 0.400 120.635 120.200 0.060 0.000 2.265 70 E HA -0.220 4.130 4.350 0.001 0.000 0.196 70 E C 2.385 179.024 176.600 0.065 0.000 0.996 70 E CA 1.327 57.761 56.400 0.057 0.000 0.832 70 E CB -0.130 29.594 29.700 0.039 0.000 0.756 70 E HN 0.532 nan 8.360 nan 0.000 0.491 71 K N 1.304 121.742 120.400 0.063 0.000 2.116 71 K HA -0.009 4.311 4.320 0.001 0.000 0.203 71 K C 1.811 178.463 176.600 0.086 0.000 1.052 71 K CA 0.808 57.129 56.287 0.056 0.000 0.952 71 K CB -0.701 31.820 32.500 0.035 0.000 0.729 71 K HN 0.045 nan 8.250 nan 0.000 0.446 72 I N 0.765 121.411 120.570 0.127 0.000 2.315 72 I HA -0.220 3.951 4.170 0.001 0.000 0.248 72 I C 2.855 179.149 176.117 0.296 0.000 1.117 72 I CA 1.439 62.870 61.300 0.219 0.000 1.404 72 I CB -0.092 38.075 38.000 0.278 0.000 1.071 72 I HN 0.439 nan 8.210 nan 0.000 0.419 73 S N 0.887 116.724 115.700 0.228 0.000 2.359 73 S HA -0.271 4.199 4.470 0.001 0.000 0.224 73 S C 2.291 177.010 174.600 0.198 0.000 1.035 73 S CA 2.086 60.417 58.200 0.218 0.000 1.018 73 S CB -0.321 62.949 63.200 0.117 0.000 0.876 73 S HN 0.536 nan 8.310 nan 0.000 0.448 74 E N 0.946 121.224 120.200 0.131 0.000 2.085 74 E HA -0.205 4.145 4.350 0.001 0.000 0.194 74 E C 1.723 178.382 176.600 0.099 0.000 0.994 74 E CA 1.682 58.139 56.400 0.096 0.000 0.801 74 E CB -1.152 nan 29.700 nan 0.000 0.743 74 E HN 0.890 nan 8.360 nan 0.000 0.453 75 E N -0.913 119.340 120.200 0.090 0.000 2.038 75 E HA -0.184 4.166 4.350 0.001 0.000 0.195 75 E C 2.076 178.716 176.600 0.068 0.000 1.000 75 E CA 1.461 57.879 56.400 0.030 0.000 0.803 75 E CB -0.297 29.386 29.700 -0.027 0.000 0.750 75 E HN 0.798 nan 8.360 nan 0.000 0.448 76 W N 0.863 122.240 121.300 0.127 0.000 2.355 76 W HA -0.139 4.521 4.660 0.000 0.000 0.309 76 W C 2.735 179.272 176.519 0.029 0.000 1.206 76 W CA 0.855 58.230 57.345 0.051 0.000 1.284 76 W CB -0.442 28.983 29.460 -0.060 0.000 1.145 76 W HN -0.062 nan 8.180 nan 0.000 0.502 77 S N -0.058 115.795 115.700 0.255 0.000 2.440 77 S HA -0.209 4.261 4.470 0.001 0.000 0.240 77 S C 1.848 176.511 174.600 0.106 0.000 1.014 77 S CA 1.920 60.207 58.200 0.145 0.000 0.980 77 S CB -0.588 62.675 63.200 0.105 0.000 0.775 77 S HN 0.432 nan 8.310 nan 0.000 0.499 78 K N 0.063 120.523 120.400 0.100 0.000 2.374 78 K HA 0.551 4.871 4.320 0.001 0.000 0.202 78 K C 1.081 177.718 176.600 0.062 0.000 1.040 78 K CA 0.556 56.881 56.287 0.063 0.000 1.085 78 K CB -0.579 31.945 32.500 0.039 0.000 0.873 78 K HN 0.553 nan 8.250 nan 0.000 0.539 79 G N -0.040 108.817 108.800 0.095 0.000 2.179 79 G HA2 -0.240 3.720 3.960 0.001 0.000 0.257 79 G HA3 -0.240 3.720 3.960 0.001 0.000 0.257 79 G C 1.106 176.025 174.900 0.032 0.000 1.010 79 G CA 0.634 45.788 45.100 0.089 0.000 0.736 79 G HN 0.645 nan 8.290 nan 0.000 0.513 80 V N -0.441 119.474 119.914 0.002 0.000 2.878 80 V HA 0.271 4.392 4.120 0.001 0.000 0.250 80 V C 1.612 177.625 176.094 -0.135 0.000 1.075 80 V CA 0.738 63.005 62.300 -0.055 0.000 1.096 80 V CB -0.448 31.343 31.823 -0.053 0.000 0.724 80 V HN 0.473 nan 8.190 nan 0.000 0.467 81 F N 0.900 120.624 119.950 -0.376 0.000 2.650 81 F HA 0.111 4.639 4.527 0.001 0.000 0.355 81 F C 0.092 175.628 175.800 -0.440 0.000 1.163 81 F CA 0.779 58.405 58.000 -0.623 0.000 1.374 81 F CB 0.511 38.620 39.000 -1.484 0.000 1.065 81 F HN -0.191 nan 8.300 nan 0.000 0.616 82 V N 6.279 125.714 119.914 -0.798 0.000 2.443 82 V HA 0.272 4.392 4.120 0.001 0.000 0.293 82 V C -0.736 175.199 176.094 -0.264 0.000 1.021 82 V CA -0.936 61.142 62.300 -0.370 0.000 0.848 82 V CB 1.448 33.072 31.823 -0.331 0.000 0.998 82 V HN 0.566 nan 8.190 nan 0.000 0.424 83 V N 4.389 124.351 119.914 0.079 0.000 2.461 83 V HA 0.537 4.657 4.120 0.001 0.000 0.275 83 V C 0.740 176.880 176.094 0.078 0.000 1.047 83 V CA -0.392 62.033 62.300 0.208 0.000 0.955 83 V CB 1.059 33.027 31.823 0.242 0.000 0.988 83 V HN 0.996 nan 8.190 nan 0.000 0.471 84 K N 2.389 122.833 120.400 0.074 0.000 2.126 84 K HA 0.580 4.900 4.320 0.001 0.000 0.257 84 K C 1.201 177.829 176.600 0.047 0.000 1.007 84 K CA 0.203 56.510 56.287 0.033 0.000 0.928 84 K CB 0.140 nan 32.500 nan 0.000 1.013 84 K HN 0.926 nan 8.250 nan 0.000 0.473 85 Q N 0.075 119.892 119.800 0.029 0.000 2.437 85 Q HA -0.087 4.253 4.340 0.001 0.000 0.210 85 Q C 2.127 178.147 176.000 0.033 0.000 0.972 85 Q CA 2.169 57.990 55.803 0.029 0.000 0.903 85 Q CB -0.738 28.012 28.738 0.019 0.000 0.967 85 Q HN 1.227 nan 8.270 nan 0.000 0.486 86 S N -0.438 115.284 115.700 0.035 0.000 2.501 86 S HA 0.037 4.507 4.470 0.001 0.000 0.220 86 S C 0.169 174.799 174.600 0.050 0.000 0.997 86 S CA 0.055 58.277 58.200 0.037 0.000 0.919 86 S CB 0.062 63.282 63.200 0.032 0.000 0.778 86 S HN 0.556 nan 8.310 nan 0.000 0.523 87 D N 3.579 124.020 120.400 0.068 0.000 2.349 87 D HA 0.059 4.700 4.640 0.001 0.000 0.266 87 D C 1.270 177.608 176.300 0.062 0.000 1.293 87 D CA 0.133 54.186 54.000 0.088 0.000 0.926 87 D CB 0.798 41.680 40.800 0.136 0.000 1.090 87 D HN 0.612 nan 8.370 nan 0.000 0.502 88 E N 1.870 122.101 120.200 0.051 0.000 2.230 88 E HA -0.091 4.259 4.350 0.001 0.000 0.192 88 E C 0.063 176.668 176.600 0.008 0.000 0.987 88 E CA 0.563 56.979 56.400 0.027 0.000 0.841 88 E CB 0.100 29.816 29.700 0.026 0.000 0.783 88 E HN 0.537 nan 8.360 nan 0.000 0.481 89 D N -1.108 119.315 120.400 0.037 0.000 2.643 89 D HA 0.134 4.774 4.640 0.001 0.000 0.283 89 D C 0.518 176.860 176.300 0.070 0.000 1.242 89 D CA -0.811 53.209 54.000 0.033 0.000 0.863 89 D CB 0.359 41.199 40.800 0.067 0.000 1.382 89 D HN -0.127 nan 8.370 nan 0.000 0.444 90 I N 0.272 120.858 120.570 0.028 0.000 2.264 90 I HA -0.195 3.975 4.170 0.001 0.000 0.248 90 I C 1.490 177.556 176.117 -0.084 0.000 1.111 90 I CA 1.952 63.193 61.300 -0.098 0.000 1.382 90 I CB -0.535 37.281 38.000 -0.305 0.000 1.060 90 I HN 0.492 nan 8.210 nan 0.000 0.418 91 H N -0.480 118.568 119.070 -0.037 0.000 2.270 91 H HA -0.092 4.464 4.556 0.001 0.000 0.299 91 H C 2.259 177.608 175.328 0.035 0.000 1.077 91 H CA 2.119 58.158 56.048 -0.014 0.000 1.294 91 H CB -1.204 28.548 29.762 -0.016 0.000 1.371 91 H HN 0.222 nan 8.280 nan 0.000 0.491 92 T N 0.479 115.149 114.554 0.194 0.000 2.803 92 T HA -0.188 4.163 4.350 0.001 0.000 0.269 92 T C 2.271 177.066 174.700 0.158 0.000 1.052 92 T CA 1.195 63.383 62.100 0.147 0.000 1.136 92 T CB -0.486 68.450 68.868 0.113 0.000 0.864 92 T HN 0.515 nan 8.240 nan 0.000 0.467 93 A N 2.130 125.058 122.820 0.180 0.000 1.873 93 A HA -0.107 4.213 4.320 0.001 0.000 0.215 93 A C 2.293 180.085 177.584 0.347 0.000 1.186 93 A CA 1.321 53.530 52.037 0.287 0.000 0.616 93 A CB -0.509 18.681 19.000 0.317 0.000 0.823 93 A HN 0.362 nan 8.150 nan 0.000 0.442 94 N N -0.270 118.566 118.700 0.227 0.000 2.188 94 N HA -0.119 4.622 4.740 0.001 0.000 0.184 94 N C 1.668 177.287 175.510 0.182 0.000 1.018 94 N CA 1.501 54.687 53.050 0.226 0.000 0.858 94 N CB -0.324 38.218 38.487 0.092 0.000 0.989 94 N HN 0.654 nan 8.380 nan 0.000 0.426 95 E N 0.597 120.881 120.200 0.141 0.000 2.072 95 E HA -0.090 4.260 4.350 0.001 0.000 0.191 95 E C 2.047 178.718 176.600 0.117 0.000 0.985 95 E CA 0.673 57.143 56.400 0.116 0.000 0.801 95 E CB 0.073 29.843 29.700 0.116 0.000 0.750 95 E HN 0.236 nan 8.360 nan 0.000 0.452 96 R N 0.456 121.036 120.500 0.133 0.000 2.081 96 R HA -0.160 4.180 4.340 0.001 0.000 0.235 96 R C 2.209 178.562 176.300 0.088 0.000 1.131 96 R CA 1.494 57.656 56.100 0.104 0.000 0.960 96 R CB -0.036 30.329 30.300 0.108 0.000 0.856 96 R HN -0.082 nan 8.270 nan 0.000 0.436 97 R N 0.517 121.099 120.500 0.138 0.000 2.148 97 R HA -0.061 4.280 4.340 0.001 0.000 0.227 97 R C 1.962 178.309 176.300 0.078 0.000 1.103 97 R CA 0.981 57.137 56.100 0.093 0.000 0.983 97 R CB -0.567 29.863 30.300 0.216 0.000 0.874 97 R HN 0.330 nan 8.270 nan 0.000 0.451 98 L N 0.475 121.757 121.223 0.098 0.000 2.068 98 L HA 0.019 4.359 4.340 0.001 0.000 0.204 98 L C 2.094 178.995 176.870 0.051 0.000 1.076 98 L CA 1.712 56.596 54.840 0.074 0.000 0.753 98 L CB -0.567 41.539 42.059 0.080 0.000 0.910 98 L HN 0.054 nan 8.230 nan 0.000 0.439 99 K N 0.338 120.770 120.400 0.053 0.000 2.147 99 K HA -0.244 4.076 4.320 0.001 0.000 0.205 99 K C 1.853 178.468 176.600 0.025 0.000 1.049 99 K CA 1.753 58.065 56.287 0.040 0.000 0.936 99 K CB -0.103 32.425 32.500 0.046 0.000 0.722 99 K HN 0.589 nan 8.250 nan 0.000 0.446 100 E N -0.012 120.199 120.200 0.020 0.000 2.482 100 E HA -0.040 4.311 4.350 0.001 0.000 0.196 100 E C 1.642 178.236 176.600 -0.009 0.000 1.047 100 E CA 0.161 56.560 56.400 -0.002 0.000 0.869 100 E CB 0.233 29.922 29.700 -0.017 0.000 0.836 100 E HN 0.308 nan 8.360 nan 0.000 0.520 101 L N 0.007 121.232 121.223 0.004 0.000 2.547 101 L HA 0.183 4.523 4.340 0.001 0.000 0.218 101 L C 2.023 178.898 176.870 0.007 0.000 1.048 101 L CA 0.233 55.073 54.840 0.000 0.000 0.859 101 L CB 0.320 42.383 42.059 0.008 0.000 1.128 101 L HN 0.205 nan 8.230 nan 0.000 0.483 102 I N -3.374 117.206 120.570 0.016 0.000 4.154 102 I HA 0.521 4.692 4.170 0.001 0.000 0.334 102 I C 0.857 176.984 176.117 0.017 0.000 1.371 102 I CA 0.012 61.322 61.300 0.017 0.000 1.110 102 I CB 0.225 38.239 38.000 0.023 0.000 1.085 102 I HN 0.146 nan 8.210 nan 0.000 0.398 103 G N 2.085 110.895 108.800 0.016 0.000 2.741 103 G HA2 -0.273 3.687 3.960 0.001 0.000 0.222 103 G HA3 -0.273 3.687 3.960 0.001 0.000 0.222 103 G C 0.095 175.009 174.900 0.023 0.000 1.364 103 G CA 0.146 45.255 45.100 0.016 0.000 0.866 103 G HN 0.281 nan 8.290 nan 0.000 0.555 104 D N -0.687 119.726 120.400 0.021 0.000 2.263 104 D HA -0.215 4.425 4.640 0.001 0.000 0.193 104 D C 2.406 178.725 176.300 0.031 0.000 1.013 104 D CA 1.880 55.895 54.000 0.026 0.000 0.892 104 D CB -0.149 40.664 40.800 0.021 0.000 0.909 104 D HN 0.649 nan 8.370 nan 0.000 0.449 105 I N 1.036 121.623 120.570 0.028 0.000 2.236 105 I HA -0.283 3.887 4.170 0.001 0.000 0.249 105 I C 1.990 178.132 176.117 0.041 0.000 1.102 105 I CA 1.464 62.782 61.300 0.031 0.000 1.365 105 I CB -0.450 37.565 38.000 0.025 0.000 1.051 105 I HN -0.025 nan 8.210 nan 0.000 0.420 106 A N 0.204 123.050 122.820 0.044 0.000 2.186 106 A HA -0.050 4.271 4.320 0.001 0.000 0.219 106 A C 2.336 179.961 177.584 0.068 0.000 1.159 106 A CA 1.388 53.457 52.037 0.054 0.000 0.680 106 A CB -1.676 17.356 19.000 0.054 0.000 0.787 106 A HN 0.572 nan 8.150 nan 0.000 0.467 107 G N -0.526 108.315 108.800 0.067 0.000 2.464 107 G HA2 -0.115 3.845 3.960 0.001 0.000 0.217 107 G HA3 -0.115 3.845 3.960 0.001 0.000 0.217 107 G C 1.481 176.440 174.900 0.099 0.000 1.138 107 G CA 0.640 45.791 45.100 0.084 0.000 0.793 107 G HN 0.578 nan 8.290 nan 0.000 0.539 108 K N -0.381 120.067 120.400 0.080 0.000 2.515 108 K HA 0.101 4.421 4.320 0.001 0.000 0.196 108 K C 2.010 178.679 176.600 0.115 0.000 1.038 108 K CA 0.004 56.341 56.287 0.083 0.000 0.967 108 K CB -0.027 32.506 32.500 0.054 0.000 0.780 108 K HN 0.225 nan 8.250 nan 0.000 0.483 109 L N 0.475 121.772 121.223 0.123 0.000 2.217 109 L HA -0.115 4.225 4.340 0.001 0.000 0.211 109 L C 1.863 178.862 176.870 0.215 0.000 1.107 109 L CA 1.711 56.643 54.840 0.153 0.000 0.783 109 L CB -0.371 41.747 42.059 0.099 0.000 0.919 109 L HN 0.243 nan 8.230 nan 0.000 0.442 110 H N -0.883 118.258 119.070 0.119 0.000 2.551 110 H HA 0.170 4.726 4.556 0.000 0.000 0.266 110 H C 0.041 175.431 175.328 0.104 0.000 0.977 110 H CA 0.299 56.392 56.048 0.076 0.000 1.163 110 H CB -0.258 29.524 29.762 0.032 0.000 1.381 110 H HN 0.199 nan 8.280 nan 0.000 0.581 111 T N 0.358 115.080 114.554 0.280 0.000 2.750 111 T HA 0.162 4.512 4.350 0.001 0.000 0.277 111 T C 1.344 176.202 174.700 0.264 0.000 0.996 111 T CA 0.921 63.145 62.100 0.206 0.000 1.195 111 T CB 0.098 69.051 68.868 0.143 0.000 0.963 111 T HN 0.594 nan 8.240 nan 0.000 0.516 112 G N 3.029 111.932 108.800 0.172 0.000 2.220 112 G HA2 -0.310 3.651 3.960 0.001 0.000 0.269 112 G HA3 -0.310 3.651 3.960 0.001 0.000 0.269 112 G C 0.308 175.295 174.900 0.145 0.000 0.977 112 G CA 0.564 45.762 45.100 0.164 0.000 0.634 112 G HN 0.823 nan 8.290 nan 0.000 0.539 113 R N 0.320 120.894 120.500 0.124 0.000 2.596 113 R HA 0.678 5.019 4.340 0.001 0.000 0.267 113 R C -0.124 176.218 176.300 0.070 0.000 1.026 113 R CA 0.311 56.366 56.100 -0.074 0.000 1.087 113 R CB 1.262 31.294 30.300 -0.446 0.000 1.132 113 R HN 0.317 nan 8.270 nan 0.000 0.531 114 S N 0.257 115.953 115.700 -0.007 0.000 2.595 114 S HA 0.311 4.782 4.470 0.001 0.000 0.281 114 S C 0.274 174.869 174.600 -0.008 0.000 1.117 114 S CA -0.784 57.417 58.200 0.003 0.000 0.873 114 S CB 1.845 64.990 63.200 -0.091 0.000 1.108 114 S HN 0.689 nan 8.310 nan 0.000 0.477 115 R N 2.241 122.716 120.500 -0.041 0.000 2.120 115 R HA 0.053 4.393 4.340 0.001 0.000 0.234 115 R C 1.790 177.971 176.300 -0.200 0.000 1.123 115 R CA 2.107 58.130 56.100 -0.129 0.000 0.975 115 R CB -1.115 29.077 30.300 -0.180 0.000 0.866 115 R HN 0.795 nan 8.270 nan 0.000 0.446 116 N N 0.156 118.696 118.700 -0.267 0.000 2.069 116 N HA -0.174 4.566 4.740 0.001 0.000 0.191 116 N C 0.905 176.342 175.510 -0.122 0.000 1.031 116 N CA 1.474 54.347 53.050 -0.294 0.000 0.852 116 N CB -0.182 38.093 38.487 -0.354 0.000 1.018 116 N HN 0.396 nan 8.380 nan 0.000 0.423 117 D N 0.258 120.595 120.400 -0.105 0.000 2.333 117 D HA -0.122 4.519 4.640 0.001 0.000 0.208 117 D C 1.695 177.950 176.300 -0.075 0.000 0.984 117 D CA 0.547 54.500 54.000 -0.078 0.000 0.873 117 D CB -0.307 40.443 40.800 -0.084 0.000 0.935 117 D HN 0.331 nan 8.370 nan 0.000 0.521 118 Q N 0.427 120.178 119.800 -0.082 0.000 2.096 118 Q HA -0.052 4.288 4.340 0.001 0.000 0.197 118 Q C 2.096 178.124 176.000 0.048 0.000 0.964 118 Q CA 0.736 56.512 55.803 -0.045 0.000 0.838 118 Q CB 0.166 28.871 28.738 -0.055 0.000 0.906 118 Q HN 0.122 nan 8.270 nan 0.000 0.444 119 V N 0.481 120.406 119.914 0.019 0.000 2.307 119 V HA -0.193 3.927 4.120 0.001 0.000 0.245 119 V C 2.336 178.500 176.094 0.117 0.000 1.045 119 V CA 1.733 64.083 62.300 0.084 0.000 1.024 119 V CB -0.042 31.770 31.823 -0.018 0.000 0.651 119 V HN 0.544 nan 8.190 nan 0.000 0.449 120 V N -2.648 117.320 119.914 0.090 0.000 2.515 120 V HA -0.182 3.938 4.120 0.001 0.000 0.250 120 V C 2.256 178.365 176.094 0.026 0.000 1.058 120 V CA 2.402 64.770 62.300 0.112 0.000 1.064 120 V CB -1.642 30.241 31.823 0.099 0.000 0.675 120 V HN 0.543 nan 8.190 nan 0.000 0.461 121 T N 0.641 115.204 114.554 0.015 0.000 2.737 121 T HA -0.147 4.203 4.350 0.001 0.000 0.265 121 T C 1.641 176.415 174.700 0.124 0.000 1.038 121 T CA 1.958 64.078 62.100 0.034 0.000 1.144 121 T CB -0.487 68.394 68.868 0.023 0.000 0.866 121 T HN 0.542 nan 8.240 nan 0.000 0.434 122 D N 0.916 121.388 120.400 0.119 0.000 2.123 122 D HA -0.050 4.590 4.640 0.001 0.000 0.196 122 D C 1.976 178.383 176.300 0.178 0.000 0.992 122 D CA 0.600 54.676 54.000 0.127 0.000 0.833 122 D CB -0.481 40.387 40.800 0.113 0.000 0.954 122 D HN 0.140 nan 8.370 nan 0.000 0.455 123 L N 1.036 122.373 121.223 0.190 0.000 2.056 123 L HA -0.110 4.230 4.340 0.001 0.000 0.207 123 L C 1.892 178.917 176.870 0.258 0.000 1.078 123 L CA 1.709 56.704 54.840 0.258 0.000 0.749 123 L CB -0.251 41.979 42.059 0.285 0.000 0.901 123 L HN -0.105 nan 8.230 nan 0.000 0.433 124 K N -0.809 119.650 120.400 0.097 0.000 2.057 124 K HA -0.144 4.176 4.320 0.001 0.000 0.207 124 K C 2.098 178.756 176.600 0.097 0.000 1.049 124 K CA 1.509 57.796 56.287 0.000 0.000 0.931 124 K CB -0.345 32.068 32.500 -0.144 0.000 0.714 124 K HN 0.321 nan 8.250 nan 0.000 0.440 125 L N 0.106 121.416 121.223 0.144 0.000 2.046 125 L HA -0.199 4.142 4.340 0.001 0.000 0.208 125 L C 2.456 179.332 176.870 0.010 0.000 1.077 125 L CA 1.223 56.068 54.840 0.009 0.000 0.747 125 L CB -0.435 41.640 42.059 0.027 0.000 0.896 125 L HN 0.127 nan 8.230 nan 0.000 0.432 126 F N 0.447 120.392 119.950 -0.007 0.000 2.134 126 F HA -0.246 4.282 4.527 0.000 0.000 0.299 126 F C 2.460 178.250 175.800 -0.017 0.000 1.097 126 F CA 1.578 59.581 58.000 0.005 0.000 1.264 126 F CB -0.166 38.889 39.000 0.090 0.000 1.001 126 F HN -0.067 nan 8.300 nan 0.000 0.479 127 M N 0.194 119.770 119.600 -0.040 0.000 2.159 127 M HA -0.199 4.282 4.480 0.001 0.000 0.263 127 M C 2.328 178.459 176.300 -0.282 0.000 1.063 127 M CA 1.770 56.936 55.300 -0.223 0.000 1.110 127 M CB -0.490 32.077 32.600 -0.055 0.000 1.374 127 M HN 0.154 nan 8.290 nan 0.000 0.411 128 K N 0.603 120.887 120.400 -0.193 0.000 2.026 128 K HA -0.171 4.149 4.320 0.001 0.000 0.208 128 K C 1.627 178.093 176.600 -0.222 0.000 1.048 128 K CA 1.560 57.736 56.287 -0.185 0.000 0.929 128 K CB -0.003 32.390 32.500 -0.179 0.000 0.713 128 K HN 0.282 nan 8.250 nan 0.000 0.439 129 N N 0.471 119.014 118.700 -0.262 0.000 2.120 129 N HA -0.105 4.635 4.740 0.001 0.000 0.188 129 N C 1.857 177.192 175.510 -0.292 0.000 1.024 129 N CA 1.353 54.250 53.050 -0.254 0.000 0.852 129 N CB -0.378 37.963 38.487 -0.243 0.000 1.003 129 N HN 0.123 nan 8.380 nan 0.000 0.424 130 S N 0.876 116.305 115.700 -0.451 0.000 2.383 130 S HA 0.000 4.471 4.470 0.001 0.000 0.227 130 S C 1.880 176.367 174.600 -0.188 0.000 1.026 130 S CA 0.513 58.484 58.200 -0.381 0.000 0.981 130 S CB -0.083 62.760 63.200 -0.596 0.000 0.818 130 S HN 0.112 nan 8.310 nan 0.000 0.472 131 L N 1.498 122.604 121.223 -0.195 0.000 2.141 131 L HA 0.039 4.379 4.340 0.001 0.000 0.209 131 L C 2.369 179.186 176.870 -0.089 0.000 1.094 131 L CA 1.287 56.067 54.840 -0.099 0.000 0.763 131 L CB -0.992 40.990 42.059 -0.128 0.000 0.908 131 L HN 0.177 nan 8.230 nan 0.000 0.437 132 S N -0.642 114.985 115.700 -0.122 0.000 2.383 132 S HA -0.063 4.408 4.470 0.001 0.000 0.227 132 S C 2.007 176.536 174.600 -0.118 0.000 1.026 132 S CA 1.033 59.166 58.200 -0.111 0.000 0.981 132 S CB -0.216 62.912 63.200 -0.119 0.000 0.818 132 S HN 0.334 nan 8.310 nan 0.000 0.472 133 I N 1.178 121.672 120.570 -0.127 0.000 2.202 133 I HA -0.140 4.030 4.170 0.001 0.000 0.242 133 I C 2.017 178.036 176.117 -0.162 0.000 1.091 133 I CA 1.123 62.321 61.300 -0.171 0.000 1.368 133 I CB -0.331 37.607 38.000 -0.103 0.000 1.058 133 I HN 0.221 nan 8.210 nan 0.000 0.410 134 I N -0.036 120.538 120.570 0.007 0.000 2.208 134 I HA -0.341 3.829 4.170 0.001 0.000 0.245 134 I C 2.778 178.952 176.117 0.094 0.000 1.097 134 I CA 1.426 62.811 61.300 0.140 0.000 1.363 134 I CB -0.336 37.816 38.000 0.254 0.000 1.051 134 I HN 0.225 nan 8.210 nan 0.000 0.413 135 S N 0.128 115.840 115.700 0.020 0.000 2.359 135 S HA -0.217 4.253 4.470 0.001 0.000 0.224 135 S C 2.080 176.669 174.600 -0.018 0.000 1.035 135 S CA 2.365 60.568 58.200 0.004 0.000 1.018 135 S CB -0.361 62.815 63.200 -0.040 0.000 0.876 135 S HN 0.456 nan 8.310 nan 0.000 0.448 136 T N 1.246 115.738 114.554 -0.103 0.000 2.746 136 T HA -0.075 4.275 4.350 0.001 0.000 0.267 136 T C 1.625 176.283 174.700 -0.071 0.000 1.039 136 T CA 1.517 63.539 62.100 -0.130 0.000 1.142 136 T CB -0.537 68.190 68.868 -0.236 0.000 0.866 136 T HN 0.525 nan 8.240 nan 0.000 0.444 137 H N 0.556 119.649 119.070 0.038 0.000 2.389 137 H HA 0.156 4.713 4.556 0.001 0.000 0.299 137 H C 2.335 177.688 175.328 0.041 0.000 1.081 137 H CA 0.561 56.633 56.048 0.039 0.000 1.345 137 H CB -0.619 29.172 29.762 0.048 0.000 1.393 137 H HN 0.236 nan 8.280 nan 0.000 0.520 138 L N 0.179 121.502 121.223 0.168 0.000 2.027 138 L HA -0.156 4.185 4.340 0.001 0.000 0.206 138 L C 2.005 178.923 176.870 0.081 0.000 1.074 138 L CA 0.799 55.715 54.840 0.127 0.000 0.745 138 L CB -0.137 42.016 42.059 0.156 0.000 0.898 138 L HN 0.176 nan 8.230 nan 0.000 0.433 139 L N -0.118 121.142 121.223 0.061 0.000 2.131 139 L HA -0.220 4.120 4.340 0.001 0.000 0.210 139 L C 2.460 179.351 176.870 0.035 0.000 1.092 139 L CA 1.525 56.387 54.840 0.036 0.000 0.759 139 L CB -1.348 40.722 42.059 0.018 0.000 0.903 139 L HN 0.411 nan 8.230 nan 0.000 0.435 140 Q N -0.263 119.568 119.800 0.051 0.000 2.119 140 Q HA -0.164 4.176 4.340 0.001 0.000 0.201 140 Q C 2.256 178.279 176.000 0.038 0.000 0.972 140 Q CA 1.405 57.239 55.803 0.052 0.000 0.847 140 Q CB -0.290 28.500 28.738 0.087 0.000 0.903 140 Q HN 0.465 nan 8.270 nan 0.000 0.433 141 L N -0.382 120.865 121.223 0.040 0.000 2.017 141 L HA -0.153 4.188 4.340 0.001 0.000 0.208 141 L C 2.149 179.017 176.870 -0.004 0.000 1.073 141 L CA 1.407 56.253 54.840 0.010 0.000 0.745 141 L CB -0.286 41.778 42.059 0.009 0.000 0.894 141 L HN 0.362 nan 8.230 nan 0.000 0.432 142 I N 0.120 120.693 120.570 0.005 0.000 2.163 142 I HA -0.387 3.784 4.170 0.001 0.000 0.243 142 I C 2.639 178.749 176.117 -0.011 0.000 1.085 142 I CA 1.648 62.943 61.300 -0.008 0.000 1.347 142 I CB -0.358 37.643 38.000 0.002 0.000 1.044 142 I HN 0.308 nan 8.210 nan 0.000 0.408 143 K N 0.554 120.955 120.400 0.001 0.000 2.097 143 K HA -0.171 4.150 4.320 0.001 0.000 0.206 143 K C 2.019 178.621 176.600 0.003 0.000 1.049 143 K CA 1.889 58.178 56.287 0.003 0.000 0.933 143 K CB -0.055 32.452 32.500 0.012 0.000 0.717 143 K HN 0.244 nan 8.250 nan 0.000 0.442 144 T N 1.683 116.239 114.554 0.004 0.000 2.746 144 T HA -0.103 4.248 4.350 0.001 0.000 0.267 144 T C 1.796 176.493 174.700 -0.004 0.000 1.039 144 T CA 1.252 63.356 62.100 0.006 0.000 1.142 144 T CB -0.118 68.752 68.868 0.003 0.000 0.866 144 T HN 0.145 nan 8.240 nan 0.000 0.444 145 L N 0.646 121.853 121.223 -0.025 0.000 2.046 145 L HA -0.076 4.264 4.340 0.001 0.000 0.208 145 L C 2.655 179.496 176.870 -0.049 0.000 1.077 145 L CA 0.891 55.701 54.840 -0.051 0.000 0.747 145 L CB -0.555 41.456 42.059 -0.079 0.000 0.896 145 L HN 0.137 nan 8.230 nan 0.000 0.432 146 V N -0.448 119.444 119.914 -0.036 0.000 2.358 146 V HA -0.249 3.871 4.120 0.001 0.000 0.246 146 V C 2.337 178.424 176.094 -0.011 0.000 1.047 146 V CA 1.677 63.959 62.300 -0.031 0.000 1.035 146 V CB -0.472 31.337 31.823 -0.024 0.000 0.658 146 V HN 0.450 nan 8.190 nan 0.000 0.452 147 E N -0.034 120.168 120.200 0.003 0.000 2.077 147 E HA -0.247 4.103 4.350 0.001 0.000 0.193 147 E C 2.431 179.051 176.600 0.033 0.000 0.989 147 E CA 1.217 57.628 56.400 0.019 0.000 0.800 147 E CB -0.188 29.527 29.700 0.025 0.000 0.746 147 E HN 0.434 nan 8.360 nan 0.000 0.452 148 R N 0.569 121.091 120.500 0.037 0.000 2.120 148 R HA -0.106 4.234 4.340 0.001 0.000 0.234 148 R C 2.181 178.522 176.300 0.067 0.000 1.123 148 R CA 1.129 57.273 56.100 0.073 0.000 0.975 148 R CB -0.100 30.256 30.300 0.093 0.000 0.866 148 R HN 0.122 nan 8.270 nan 0.000 0.446 149 A N 0.471 123.294 122.820 0.004 0.000 1.930 149 A HA -0.056 4.264 4.320 0.001 0.000 0.217 149 A C 2.291 179.892 177.584 0.028 0.000 1.175 149 A CA 1.470 53.497 52.037 -0.018 0.000 0.627 149 A CB -0.628 18.334 19.000 -0.062 0.000 0.815 149 A HN 0.496 nan 8.150 nan 0.000 0.443 150 A N 0.053 122.890 122.820 0.027 0.000 1.902 150 A HA -0.061 4.259 4.320 0.001 0.000 0.217 150 A C 2.117 179.733 177.584 0.054 0.000 1.181 150 A CA 1.513 53.571 52.037 0.035 0.000 0.623 150 A CB -0.566 18.450 19.000 0.026 0.000 0.818 150 A HN 0.490 nan 8.150 nan 0.000 0.443 151 I N -0.522 120.088 120.570 0.066 0.000 2.252 151 I HA -0.185 3.985 4.170 0.001 0.000 0.245 151 I C 1.379 177.556 176.117 0.101 0.000 1.102 151 I CA 1.285 62.631 61.300 0.077 0.000 1.385 151 I CB -0.300 37.749 38.000 0.081 0.000 1.064 151 I HN 0.364 nan 8.210 nan 0.000 0.414 152 E N 0.714 121.003 120.200 0.149 0.000 2.349 152 E HA 0.109 4.459 4.350 0.001 0.000 0.201 152 E C 1.562 178.283 176.600 0.202 0.000 1.087 152 E CA -0.164 56.357 56.400 0.202 0.000 1.128 152 E CB 0.259 30.174 29.700 0.358 0.000 1.188 152 E HN 0.461 nan 8.360 nan 0.000 0.445 153 I N 1.041 121.688 120.570 0.128 0.000 2.657 153 I HA -0.238 3.932 4.170 0.001 0.000 0.261 153 I C 0.956 177.133 176.117 0.101 0.000 1.212 153 I CA 1.233 62.595 61.300 0.104 0.000 1.453 153 I CB 0.305 38.346 38.000 0.069 0.000 1.092 153 I HN 0.077 nan 8.210 nan 0.000 0.452 154 D N 0.193 120.648 120.400 0.092 0.000 2.349 154 D HA 0.084 4.724 4.640 0.001 0.000 0.215 154 D C 0.500 176.841 176.300 0.068 0.000 1.016 154 D CA 0.284 54.327 54.000 0.072 0.000 0.870 154 D CB 0.364 41.197 40.800 0.053 0.000 0.917 154 D HN 0.113 nan 8.370 nan 0.000 0.524 155 V N 2.280 122.251 119.914 0.094 0.000 2.508 155 V HA 0.146 4.266 4.120 0.001 0.000 0.281 155 V C 0.575 176.709 176.094 0.067 0.000 1.041 155 V CA 0.003 62.334 62.300 0.052 0.000 1.016 155 V CB 1.168 33.011 31.823 0.034 0.000 0.984 155 V HN -0.059 nan 8.190 nan 0.000 0.478 156 I N 6.374 126.932 120.570 -0.019 0.000 2.474 156 I HA 0.672 4.843 4.170 0.001 0.000 0.294 156 I C -0.278 175.736 176.117 -0.172 0.000 1.005 156 I CA -0.511 60.766 61.300 -0.039 0.000 1.113 156 I CB 1.761 39.754 38.000 -0.012 0.000 1.289 156 I HN 0.598 nan 8.210 nan 0.000 0.436 157 L N 4.429 125.539 121.223 -0.188 0.000 2.654 157 L HA 0.795 5.135 4.340 0.001 0.000 0.257 157 L C -3.036 173.675 176.870 -0.264 0.000 1.093 157 L CA -2.177 52.452 54.840 -0.352 0.000 0.903 157 L CB 1.958 43.675 42.059 -0.571 0.000 1.520 157 L HN 0.147 nan 8.230 nan 0.000 0.402 158 P HA 0.290 nan 4.420 nan 0.000 0.275 158 P C -0.598 176.548 177.300 -0.257 0.000 1.227 158 P CA 0.045 62.955 63.100 -0.315 0.000 0.781 158 P CB 1.054 32.474 31.700 -0.467 0.000 0.906 159 G N 1.862 110.534 108.800 -0.214 0.000 2.348 159 G HA2 0.487 4.447 3.960 0.001 0.000 0.312 159 G HA3 0.487 4.447 3.960 0.001 0.000 0.312 159 G C -1.485 173.326 174.900 -0.149 0.000 1.126 159 G CA -0.169 44.905 45.100 -0.044 0.000 0.865 159 G HN 0.319 nan 8.290 nan 0.000 0.474 160 Y N 0.703 121.091 120.300 0.148 0.000 2.446 160 Y HA 0.592 5.142 4.550 0.001 0.000 0.338 160 Y C 0.646 176.591 175.900 0.076 0.000 1.055 160 Y CA -0.660 57.529 58.100 0.148 0.000 1.101 160 Y CB 2.584 41.186 38.460 0.236 0.000 1.221 160 Y HN 0.644 nan 8.280 nan 0.000 0.460 161 S N 1.573 117.383 115.700 0.185 0.000 2.575 161 S HA 0.384 4.854 4.470 0.001 0.000 0.278 161 S C -0.967 173.610 174.600 -0.038 0.000 1.139 161 S CA -0.849 57.314 58.200 -0.062 0.000 0.954 161 S CB 0.967 64.075 63.200 -0.154 0.000 1.054 161 S HN 0.918 nan 8.310 nan 0.000 0.483 162 H N 1.502 120.662 119.070 0.149 0.000 2.899 162 H HA -0.137 4.420 4.556 0.000 0.000 0.282 162 H C 0.544 175.971 175.328 0.164 0.000 1.198 162 H CA 0.729 56.853 56.048 0.127 0.000 1.140 162 H CB -1.637 28.189 29.762 0.107 0.000 1.317 162 H HN 1.058 nan 8.280 nan 0.000 0.375 163 L N -1.190 120.189 121.223 0.259 0.000 3.843 163 L HA -0.270 4.070 4.340 0.001 0.000 0.411 163 L C -0.009 177.128 176.870 0.445 0.000 1.205 163 L CA 1.536 56.555 54.840 0.297 0.000 0.945 163 L CB -0.421 41.743 42.059 0.176 0.000 1.929 163 L HN 0.435 nan 8.230 nan 0.000 0.934 164 Q N 0.248 120.327 119.800 0.464 0.000 2.365 164 Q HA 0.411 4.751 4.340 0.001 0.000 0.269 164 Q C -0.038 176.111 176.000 0.249 0.000 1.061 164 Q CA -0.774 55.245 55.803 0.360 0.000 0.816 164 Q CB 1.767 30.648 28.738 0.240 0.000 1.325 164 Q HN 0.259 nan 8.270 nan 0.000 0.446 165 K N 0.985 121.411 120.400 0.044 0.000 2.447 165 K HA 0.200 4.520 4.320 0.001 0.000 0.281 165 K C 0.338 176.874 176.600 -0.106 0.000 1.031 165 K CA 0.163 56.281 56.287 -0.281 0.000 1.019 165 K CB 0.674 33.038 32.500 -0.227 0.000 0.918 165 K HN 0.663 nan 8.250 nan 0.000 0.476 166 A N 3.990 126.734 122.820 -0.127 0.000 2.106 166 A HA 0.013 4.334 4.320 0.001 0.000 0.218 166 A C 0.117 177.693 177.584 -0.013 0.000 1.718 166 A CA 0.456 52.483 52.037 -0.016 0.000 0.768 166 A CB 0.210 19.218 19.000 0.013 0.000 1.321 166 A HN 0.790 nan 8.150 nan 0.000 0.567 167 Q N -0.896 118.878 119.800 -0.043 0.000 2.462 167 Q HA 0.586 4.926 4.340 0.001 0.000 0.285 167 Q C -3.163 172.811 176.000 -0.043 0.000 1.035 167 Q CA -2.342 53.458 55.803 -0.006 0.000 0.799 167 Q CB 1.714 30.467 28.738 0.025 0.000 1.452 167 Q HN 0.056 nan 8.270 nan 0.000 0.404 168 P HA 0.160 nan 4.420 nan 0.000 0.268 168 P C -0.784 176.509 177.300 -0.013 0.000 1.205 168 P CA 0.195 63.294 63.100 -0.001 0.000 0.771 168 P CB 0.344 32.132 31.700 0.147 0.000 0.858 169 I N -1.884 118.673 120.570 -0.022 0.000 3.102 169 I HA 0.580 4.751 4.170 0.001 0.000 0.310 169 I C -0.725 175.416 176.117 0.041 0.000 1.246 169 I CA -1.701 59.597 61.300 -0.004 0.000 0.979 169 I CB 2.332 40.331 38.000 -0.000 0.000 1.267 169 I HN 0.035 nan 8.210 nan 0.000 0.451 170 R N 1.944 122.485 120.500 0.067 0.000 2.441 170 R HA 0.120 4.460 4.340 0.001 0.000 0.284 170 R C 0.619 177.027 176.300 0.180 0.000 1.070 170 R CA -0.384 55.782 56.100 0.110 0.000 1.047 170 R CB 1.098 31.455 30.300 0.096 0.000 1.016 170 R HN 0.883 nan 8.270 nan 0.000 0.477 171 W N 3.136 124.442 121.300 0.009 0.000 2.350 171 W HA -0.220 4.440 4.660 0.000 0.000 0.289 171 W C 0.596 177.208 176.519 0.155 0.000 1.215 171 W CA 1.479 58.854 57.345 0.050 0.000 1.236 171 W CB 0.096 29.550 29.460 -0.010 0.000 1.130 171 W HN 0.509 nan 8.180 nan 0.000 0.541 172 S N 0.686 116.417 115.700 0.051 0.000 2.399 172 S HA -0.289 4.181 4.470 0.001 0.000 0.231 172 S C 1.572 176.118 174.600 -0.089 0.000 1.022 172 S CA 1.857 60.004 58.200 -0.089 0.000 0.983 172 S CB -0.461 62.745 63.200 0.009 0.000 0.803 172 S HN 0.345 nan 8.310 nan 0.000 0.480 173 Q N 0.833 120.626 119.800 -0.011 0.000 2.124 173 Q HA -0.089 4.251 4.340 0.001 0.000 0.202 173 Q C 1.738 177.712 176.000 -0.042 0.000 0.977 173 Q CA 1.526 57.316 55.803 -0.023 0.000 0.850 173 Q CB -0.517 28.226 28.738 0.008 0.000 0.901 173 Q HN 0.567 nan 8.270 nan 0.000 0.429 174 F N -0.098 119.764 119.950 -0.146 0.000 2.102 174 F HA -0.126 4.401 4.527 0.000 0.000 0.298 174 F C 1.440 177.108 175.800 -0.221 0.000 1.105 174 F CA 1.398 59.309 58.000 -0.149 0.000 1.239 174 F CB -0.192 38.782 39.000 -0.042 0.000 0.991 174 F HN 0.112 nan 8.300 nan 0.000 0.474 175 L N 0.008 120.996 121.223 -0.392 0.000 2.046 175 L HA -0.215 4.126 4.340 0.001 0.000 0.208 175 L C 2.449 179.129 176.870 -0.316 0.000 1.077 175 L CA 1.148 55.724 54.840 -0.440 0.000 0.747 175 L CB -0.797 41.012 42.059 -0.417 0.000 0.896 175 L HN 0.238 nan 8.230 nan 0.000 0.432 176 L N -0.460 120.614 121.223 -0.248 0.000 2.217 176 L HA -0.134 4.206 4.340 0.001 0.000 0.211 176 L C 2.850 179.580 176.870 -0.234 0.000 1.107 176 L CA 1.118 55.845 54.840 -0.189 0.000 0.783 176 L CB -0.516 41.466 42.059 -0.128 0.000 0.919 176 L HN 0.382 nan 8.230 nan 0.000 0.442 177 S N -1.473 114.029 115.700 -0.330 0.000 2.382 177 S HA -0.210 4.261 4.470 0.001 0.000 0.228 177 S C 1.934 176.245 174.600 -0.482 0.000 1.027 177 S CA 0.879 58.843 58.200 -0.393 0.000 0.991 177 S CB -0.513 62.407 63.200 -0.467 0.000 0.823 177 S HN 0.455 nan 8.310 nan 0.000 0.469 178 H N 1.612 120.442 119.070 -0.400 0.000 2.395 178 H HA 0.274 4.831 4.556 0.000 0.000 0.299 178 H C 2.677 177.837 175.328 -0.281 0.000 1.070 178 H CA 1.228 57.052 56.048 -0.373 0.000 1.356 178 H CB -0.757 28.745 29.762 -0.434 0.000 1.401 178 H HN 0.594 nan 8.280 nan 0.000 0.524 179 A N 0.800 123.541 122.820 -0.133 0.000 1.933 179 A HA -0.099 4.221 4.320 0.001 0.000 0.218 179 A C 2.773 180.291 177.584 -0.110 0.000 1.175 179 A CA 1.401 53.376 52.037 -0.104 0.000 0.628 179 A CB -0.773 18.171 19.000 -0.095 0.000 0.814 179 A HN 0.198 nan 8.150 nan 0.000 0.444 180 V N -0.252 119.577 119.914 -0.143 0.000 2.358 180 V HA -0.225 3.896 4.120 0.001 0.000 0.246 180 V C 3.034 179.039 176.094 -0.148 0.000 1.047 180 V CA 1.842 64.066 62.300 -0.126 0.000 1.035 180 V CB -1.143 30.602 31.823 -0.131 0.000 0.658 180 V HN 0.611 nan 8.190 nan 0.000 0.452 181 A N -0.214 122.454 122.820 -0.253 0.000 1.902 181 A HA -0.137 4.183 4.320 0.001 0.000 0.217 181 A C 2.189 179.616 177.584 -0.261 0.000 1.181 181 A CA 1.652 53.440 52.037 -0.414 0.000 0.623 181 A CB -0.521 17.953 19.000 -0.876 0.000 0.818 181 A HN 0.507 nan 8.150 nan 0.000 0.443 182 L N 0.083 121.213 121.223 -0.156 0.000 2.131 182 L HA -0.154 4.187 4.340 0.001 0.000 0.210 182 L C 2.933 179.833 176.870 0.049 0.000 1.092 182 L CA 1.691 56.538 54.840 0.013 0.000 0.759 182 L CB -0.809 41.252 42.059 0.002 0.000 0.903 182 L HN 0.666 nan 8.230 nan 0.000 0.435 183 T N -3.011 111.545 114.554 0.004 0.000 2.915 183 T HA -0.154 4.196 4.350 0.001 0.000 0.269 183 T C 1.971 176.699 174.700 0.047 0.000 1.071 183 T CA 0.660 62.774 62.100 0.022 0.000 1.132 183 T CB -0.184 68.681 68.868 -0.005 0.000 0.878 183 T HN 0.282 nan 8.240 nan 0.000 0.479 184 R N 1.013 121.545 120.500 0.053 0.000 2.090 184 R HA -0.012 4.328 4.340 0.001 0.000 0.228 184 R C 2.224 178.613 176.300 0.148 0.000 1.110 184 R CA 1.459 57.610 56.100 0.084 0.000 0.973 184 R CB -0.279 30.072 30.300 0.085 0.000 0.869 184 R HN 0.463 nan 8.270 nan 0.000 0.440 185 D N 0.131 120.657 120.400 0.210 0.000 2.123 185 D HA -0.152 4.488 4.640 0.001 0.000 0.196 185 D C 1.817 178.318 176.300 0.335 0.000 0.992 185 D CA 1.303 55.490 54.000 0.312 0.000 0.833 185 D CB -0.263 40.708 40.800 0.285 0.000 0.954 185 D HN 0.049 nan 8.370 nan 0.000 0.455 186 S N 0.207 116.030 115.700 0.205 0.000 2.368 186 S HA -0.207 4.263 4.470 0.001 0.000 0.225 186 S C 1.851 176.478 174.600 0.046 0.000 1.030 186 S CA 1.450 59.720 58.200 0.117 0.000 0.999 186 S CB -0.047 63.199 63.200 0.076 0.000 0.844 186 S HN 0.240 nan 8.310 nan 0.000 0.459 187 E N 0.186 120.420 120.200 0.056 0.000 2.072 187 E HA -0.114 4.236 4.350 0.001 0.000 0.191 187 E C 2.432 179.043 176.600 0.019 0.000 0.985 187 E CA 0.801 57.218 56.400 0.029 0.000 0.801 187 E CB -0.043 29.678 29.700 0.035 0.000 0.750 187 E HN 0.445 nan 8.360 nan 0.000 0.452 188 R N 0.286 120.823 120.500 0.061 0.000 2.096 188 R HA -0.103 4.237 4.340 0.001 0.000 0.235 188 R C 2.633 178.882 176.300 -0.086 0.000 1.127 188 R CA 1.030 57.166 56.100 0.059 0.000 0.968 188 R CB -0.344 30.070 30.300 0.189 0.000 0.861 188 R HN 0.295 nan 8.270 nan 0.000 0.440 189 L N 0.068 121.139 121.223 -0.254 0.000 2.042 189 L HA -0.107 4.233 4.340 0.001 0.000 0.210 189 L C 2.137 178.844 176.870 -0.273 0.000 1.076 189 L CA 1.835 56.310 54.840 -0.608 0.000 0.749 189 L CB -0.574 41.107 42.059 -0.630 0.000 0.893 189 L HN 0.260 nan 8.230 nan 0.000 0.432 190 G N -0.864 107.850 108.800 -0.142 0.000 2.408 190 G HA2 -0.232 3.728 3.960 0.001 0.000 0.217 190 G HA3 -0.232 3.728 3.960 0.001 0.000 0.217 190 G C 1.305 176.170 174.900 -0.058 0.000 1.150 190 G CA 0.734 45.784 45.100 -0.084 0.000 0.776 190 G HN 0.511 nan 8.290 nan 0.000 0.542 191 E N -0.042 120.133 120.200 -0.043 0.000 2.072 191 E HA -0.068 4.282 4.350 0.001 0.000 0.191 191 E C 2.687 179.284 176.600 -0.004 0.000 0.985 191 E CA 0.857 57.250 56.400 -0.012 0.000 0.801 191 E CB -0.103 29.601 29.700 0.007 0.000 0.750 191 E HN 0.288 nan 8.360 nan 0.000 0.452 192 V N 1.574 121.475 119.914 -0.021 0.000 2.358 192 V HA -0.259 3.861 4.120 0.001 0.000 0.246 192 V C 2.347 178.449 176.094 0.013 0.000 1.047 192 V CA 1.748 64.060 62.300 0.021 0.000 1.035 192 V CB -0.383 31.455 31.823 0.024 0.000 0.658 192 V HN 0.189 nan 8.190 nan 0.000 0.452 193 K N 0.034 120.410 120.400 -0.039 0.000 2.103 193 K HA -0.211 4.110 4.320 0.001 0.000 0.207 193 K C 2.261 178.853 176.600 -0.013 0.000 1.048 193 K CA 1.272 57.536 56.287 -0.039 0.000 0.930 193 K CB -0.048 32.409 32.500 -0.072 0.000 0.716 193 K HN 0.321 nan 8.250 nan 0.000 0.444 194 K N 0.415 120.811 120.400 -0.007 0.000 2.032 194 K HA -0.168 4.152 4.320 0.001 0.000 0.209 194 K C 2.167 178.780 176.600 0.021 0.000 1.048 194 K CA 1.462 57.752 56.287 0.006 0.000 0.927 194 K CB -0.232 32.271 32.500 0.005 0.000 0.712 194 K HN 0.237 nan 8.250 nan 0.000 0.441 195 R N 0.345 120.862 120.500 0.029 0.000 2.235 195 R HA 0.101 4.441 4.340 0.001 0.000 0.213 195 R C 2.314 178.628 176.300 0.023 0.000 1.059 195 R CA 0.409 56.531 56.100 0.036 0.000 0.997 195 R CB -0.081 30.255 30.300 0.061 0.000 0.884 195 R HN 0.172 nan 8.270 nan 0.000 0.462 196 I N 0.622 121.209 120.570 0.028 0.000 2.617 196 I HA -0.161 4.009 4.170 0.001 0.000 0.256 196 I C 1.099 177.243 176.117 0.045 0.000 1.167 196 I CA 0.537 61.829 61.300 -0.014 0.000 1.469 196 I CB -0.019 37.986 38.000 0.010 0.000 1.098 196 I HN 0.029 nan 8.210 nan 0.000 0.436 197 N N 1.177 119.928 118.700 0.085 0.000 2.683 197 N HA 0.037 4.777 4.740 0.001 0.000 0.256 197 N C -0.942 174.737 175.510 0.282 0.000 1.270 197 N CA 0.233 53.407 53.050 0.207 0.000 0.954 197 N CB -0.158 38.376 38.487 0.078 0.000 1.289 197 N HN -0.083 nan 8.380 nan 0.000 0.508 198 V N 1.545 121.529 119.914 0.118 0.000 2.531 198 V HA 0.280 4.400 4.120 0.001 0.000 0.301 198 V C -0.067 175.661 176.094 -0.610 0.000 1.034 198 V CA -1.197 61.028 62.300 -0.126 0.000 0.865 198 V CB 1.827 33.583 31.823 -0.111 0.000 0.995 198 V HN 0.112 nan 8.190 nan 0.000 0.424 199 L N 9.151 129.858 121.223 -0.861 0.000 2.500 199 L HA 0.349 4.690 4.340 0.001 0.000 0.272 199 L C -1.420 175.098 176.870 -0.587 0.000 1.149 199 L CA -0.177 53.952 54.840 -1.185 0.000 0.897 199 L CB 0.931 42.596 42.059 -0.656 0.000 1.178 199 L HN 0.445 nan 8.230 nan 0.000 0.473 200 P HA 0.005 nan 4.420 nan 0.000 0.252 200 P C 0.499 177.692 177.300 -0.179 0.000 1.211 200 P CA 0.020 62.958 63.100 -0.271 0.000 0.824 200 P CB 0.445 32.004 31.700 -0.236 0.000 1.077 201 L N 0.698 121.811 121.223 -0.183 0.000 2.525 201 L HA 0.157 4.497 4.340 0.001 0.000 0.278 201 L C 1.337 178.184 176.870 -0.038 0.000 1.218 201 L CA 1.836 56.622 54.840 -0.089 0.000 0.878 201 L CB -0.389 41.651 42.059 -0.032 0.000 1.127 201 L HN 0.344 nan 8.230 nan 0.000 0.492 202 G N 2.281 111.075 108.800 -0.010 0.000 2.144 202 G HA2 -0.235 3.725 3.960 0.001 0.000 0.218 202 G HA3 -0.235 3.725 3.960 0.001 0.000 0.218 202 G C 0.722 175.626 174.900 0.007 0.000 0.988 202 G CA 0.299 45.426 45.100 0.045 0.000 0.659 202 G HN 0.630 nan 8.290 nan 0.000 0.522 203 S N -0.157 115.528 115.700 -0.024 0.000 2.503 203 S HA 0.467 4.937 4.470 0.001 0.000 0.217 203 S C 1.864 176.452 174.600 -0.019 0.000 0.999 203 S CA 1.331 59.517 58.200 -0.023 0.000 0.914 203 S CB 0.188 63.367 63.200 -0.034 0.000 0.782 203 S HN 2.247 nan 8.310 nan 0.000 0.520 204 G N 1.504 110.288 108.800 -0.028 0.000 2.598 204 G HA2 -0.162 3.799 3.960 0.001 0.000 0.244 204 G HA3 -0.162 3.799 3.960 0.001 0.000 0.244 204 G C 0.771 175.640 174.900 -0.052 0.000 1.302 204 G CA -0.114 44.968 45.100 -0.030 0.000 0.903 204 G HN 0.648 nan 8.290 nan 0.000 0.575 205 A N -1.475 121.313 122.820 -0.054 0.000 2.021 205 A HA 0.602 4.922 4.320 0.001 0.000 0.216 205 A C 2.112 179.667 177.584 -0.048 0.000 1.163 205 A CA 2.503 54.491 52.037 -0.081 0.000 0.676 205 A CB -0.004 18.948 19.000 -0.080 0.000 0.818 205 A HN 1.782 nan 8.150 nan 0.000 0.453 206 L N -4.508 116.703 121.223 -0.019 0.000 1.465 206 L HA 0.299 4.640 4.340 0.001 0.000 0.144 206 L C 1.667 178.541 176.870 0.006 0.000 1.333 206 L CA 0.839 55.682 54.840 0.005 0.000 1.203 206 L CB -0.531 41.536 42.059 0.013 0.000 2.504 206 L HN 0.080 nan 8.230 nan 0.000 0.485 207 A N 0.570 123.391 122.820 0.002 0.000 2.251 207 A HA 0.616 4.936 4.320 0.001 0.000 0.209 207 A C 0.977 178.563 177.584 0.004 0.000 1.187 207 A CA 0.890 52.930 52.037 0.004 0.000 0.823 207 A CB -0.397 18.606 19.000 0.004 0.000 0.846 207 A HN 0.848 nan 8.150 nan 0.000 0.486 208 G N -0.529 108.272 108.800 0.002 0.000 2.343 208 G HA2 -0.063 3.897 3.960 0.001 0.000 0.562 208 G HA3 -0.063 3.897 3.960 0.001 0.000 0.562 208 G C -0.841 174.067 174.900 0.013 0.000 1.269 208 G CA -0.301 44.802 45.100 0.005 0.000 1.011 208 G HN 0.443 nan 8.290 nan 0.000 0.498 209 N N 1.307 120.023 118.700 0.026 0.000 2.455 209 N HA 0.423 5.163 4.740 0.001 0.000 0.280 209 N C -0.813 174.721 175.510 0.041 0.000 1.055 209 N CA -1.105 51.975 53.050 0.050 0.000 0.961 209 N CB 1.952 40.488 38.487 0.082 0.000 1.121 209 N HN 0.354 nan 8.380 nan 0.000 0.476 210 P HA 0.073 nan 4.420 nan 0.000 0.240 210 P C 0.715 178.033 177.300 0.029 0.000 1.190 210 P CA 0.536 63.655 63.100 0.030 0.000 0.781 210 P CB 0.457 32.173 31.700 0.027 0.000 0.931 211 L N -0.480 120.767 121.223 0.039 0.000 2.700 211 L HA 0.229 4.569 4.340 0.001 0.000 0.234 211 L C 0.353 177.230 176.870 0.013 0.000 1.156 211 L CA -0.101 54.755 54.840 0.025 0.000 0.946 211 L CB -0.888 41.188 42.059 0.029 0.000 1.216 211 L HN -0.089 nan 8.230 nan 0.000 0.493 212 D N 1.044 121.454 120.400 0.016 0.000 2.772 212 D HA -0.235 4.405 4.640 0.001 0.000 0.233 212 D C 0.204 176.505 176.300 0.002 0.000 1.143 212 D CA 0.407 54.412 54.000 0.008 0.000 0.700 212 D CB -0.717 40.085 40.800 0.002 0.000 1.076 212 D HN 0.182 nan 8.370 nan 0.000 0.430 213 I N 0.783 121.359 120.570 0.010 0.000 2.948 213 I HA -0.007 4.164 4.170 0.001 0.000 0.290 213 I C 0.625 176.740 176.117 -0.003 0.000 1.226 213 I CA 0.289 61.584 61.300 -0.008 0.000 1.413 213 I CB 0.529 38.546 38.000 0.029 0.000 1.352 213 I HN 0.036 nan 8.210 nan 0.000 0.597 214 D N 6.598 126.986 120.400 -0.019 0.000 2.402 214 D HA 0.117 4.757 4.640 0.001 0.000 0.235 214 D C 0.995 177.299 176.300 0.006 0.000 1.226 214 D CA 0.081 54.076 54.000 -0.008 0.000 0.918 214 D CB 0.416 41.206 40.800 -0.016 0.000 1.043 214 D HN 0.461 nan 8.370 nan 0.000 0.506 215 R N 2.321 122.828 120.500 0.013 0.000 2.148 215 R HA -0.124 4.216 4.340 0.001 0.000 0.223 215 R C 1.524 177.834 176.300 0.017 0.000 1.088 215 R CA 0.664 56.775 56.100 0.018 0.000 0.985 215 R CB 0.181 30.485 30.300 0.005 0.000 0.880 215 R HN 0.344 nan 8.270 nan 0.000 0.451 216 E N 1.587 121.795 120.200 0.012 0.000 2.110 216 E HA -0.184 4.166 4.350 0.001 0.000 0.193 216 E C 1.883 178.497 176.600 0.025 0.000 0.988 216 E CA 1.287 57.697 56.400 0.017 0.000 0.804 216 E CB -0.122 29.584 29.700 0.010 0.000 0.745 216 E HN 0.225 nan 8.360 nan 0.000 0.458 217 M N -0.303 119.308 119.600 0.019 0.000 2.132 217 M HA -0.114 4.367 4.480 0.001 0.000 0.263 217 M C 1.909 178.232 176.300 0.039 0.000 1.065 217 M CA 1.386 56.697 55.300 0.019 0.000 1.122 217 M CB -0.081 32.520 32.600 0.002 0.000 1.365 217 M HN 0.231 nan 8.290 nan 0.000 0.411 218 L N -0.318 120.935 121.223 0.050 0.000 2.042 218 L HA -0.247 4.094 4.340 0.001 0.000 0.210 218 L C 2.813 179.757 176.870 0.123 0.000 1.076 218 L CA 1.569 56.461 54.840 0.088 0.000 0.749 218 L CB -0.918 41.200 42.059 0.098 0.000 0.893 218 L HN 0.413 nan 8.230 nan 0.000 0.432 219 R N -0.295 120.269 120.500 0.106 0.000 2.073 219 R HA -0.196 4.144 4.340 0.001 0.000 0.234 219 R C 2.538 178.921 176.300 0.138 0.000 1.134 219 R CA 1.963 58.158 56.100 0.159 0.000 0.952 219 R CB -0.290 30.066 30.300 0.093 0.000 0.850 219 R HN 0.215 nan 8.270 nan 0.000 0.433 220 S N 0.216 115.962 115.700 0.076 0.000 2.368 220 S HA -0.105 4.365 4.470 0.001 0.000 0.225 220 S C 1.703 176.325 174.600 0.036 0.000 1.030 220 S CA 1.103 59.330 58.200 0.046 0.000 0.999 220 S CB -0.092 63.125 63.200 0.028 0.000 0.844 220 S HN 0.355 nan 8.310 nan 0.000 0.459 221 E N 0.825 121.052 120.200 0.045 0.000 2.106 221 E HA -0.010 4.340 4.350 0.001 0.000 0.192 221 E C 1.854 178.469 176.600 0.025 0.000 0.984 221 E CA 0.831 57.250 56.400 0.033 0.000 0.806 221 E CB -0.263 29.461 29.700 0.041 0.000 0.750 221 E HN 0.526 nan 8.360 nan 0.000 0.458 222 L N 0.137 121.398 121.223 0.063 0.000 2.592 222 L HA 0.073 4.413 4.340 0.001 0.000 0.227 222 L C 0.155 176.922 176.870 -0.171 0.000 1.127 222 L CA 0.171 55.014 54.840 0.005 0.000 0.884 222 L CB -0.066 42.103 42.059 0.183 0.000 1.065 222 L HN 0.039 nan 8.230 nan 0.000 0.457 223 E N -1.135 119.017 120.200 -0.080 0.000 2.957 223 E HA -0.220 4.131 4.350 0.001 0.000 0.287 223 E C -0.188 176.308 176.600 -0.173 0.000 0.976 223 E CA 0.141 56.466 56.400 -0.126 0.000 0.907 223 E CB -1.712 27.889 29.700 -0.165 0.000 1.456 223 E HN 0.274 nan 8.360 nan 0.000 0.421 224 F N -0.088 119.843 119.950 -0.032 0.000 2.380 224 F HA 0.336 4.863 4.527 0.000 0.000 0.325 224 F C 1.729 177.509 175.800 -0.033 0.000 1.136 224 F CA 0.349 58.326 58.000 -0.039 0.000 1.171 224 F CB 0.627 39.601 39.000 -0.042 0.000 1.230 224 F HN 0.030 nan 8.300 nan 0.000 0.554 225 A N 0.921 123.850 122.820 0.182 0.000 1.970 225 A HA 0.150 4.470 4.320 0.001 0.000 0.216 225 A C 0.696 178.324 177.584 0.072 0.000 1.170 225 A CA 1.349 53.438 52.037 0.086 0.000 0.645 225 A CB -0.442 18.591 19.000 0.055 0.000 0.816 225 A HN 0.681 nan 8.150 nan 0.000 0.447 226 S N -1.878 113.869 115.700 0.078 0.000 2.757 226 S HA 0.650 5.120 4.470 0.001 0.000 0.285 226 S C -0.697 173.891 174.600 -0.020 0.000 1.196 226 S CA -0.225 57.991 58.200 0.026 0.000 0.856 226 S CB 0.548 63.753 63.200 0.009 0.000 1.212 226 S HN 0.969 nan 8.310 nan 0.000 0.516 227 I N -0.338 120.203 120.570 -0.047 0.000 2.646 227 I HA 0.753 4.923 4.170 0.001 0.000 0.299 227 I C -0.004 176.058 176.117 -0.092 0.000 1.036 227 I CA -0.841 60.399 61.300 -0.099 0.000 1.074 227 I CB 2.221 40.180 38.000 -0.069 0.000 1.258 227 I HN 0.849 nan 8.210 nan 0.000 0.430 228 S N 4.972 120.596 115.700 -0.127 0.000 2.558 228 S HA 0.142 4.613 4.470 0.001 0.000 0.291 228 S C 0.799 175.367 174.600 -0.054 0.000 1.306 228 S CA -0.431 57.714 58.200 -0.093 0.000 1.056 228 S CB 0.751 63.887 63.200 -0.107 0.000 0.836 228 S HN 0.724 nan 8.310 nan 0.000 0.504 229 L N 1.357 122.559 121.223 -0.035 0.000 2.209 229 L HA 0.181 4.521 4.340 0.001 0.000 0.207 229 L C 1.103 177.964 176.870 -0.014 0.000 1.094 229 L CA 0.700 55.528 54.840 -0.020 0.000 0.790 229 L CB -0.508 41.544 42.059 -0.012 0.000 0.932 229 L HN 0.786 nan 8.230 nan 0.000 0.447 230 N N -1.220 117.473 118.700 -0.012 0.000 2.371 230 N HA 0.081 4.821 4.740 0.001 0.000 0.291 230 N C 0.882 176.389 175.510 -0.005 0.000 1.053 230 N CA 0.065 53.112 53.050 -0.005 0.000 0.870 230 N CB 1.450 39.938 38.487 0.002 0.000 1.503 230 N HN -0.024 nan 8.380 nan 0.000 0.485 231 S N 3.586 119.283 115.700 -0.004 0.000 2.370 231 S HA -0.246 4.224 4.470 0.001 0.000 0.226 231 S C 1.677 176.282 174.600 0.009 0.000 1.033 231 S CA 1.036 59.234 58.200 -0.003 0.000 1.011 231 S CB -0.343 62.856 63.200 -0.002 0.000 0.852 231 S HN 0.670 nan 8.310 nan 0.000 0.457 232 M N 1.653 121.261 119.600 0.015 0.000 2.086 232 M HA -0.084 4.396 4.480 0.001 0.000 0.261 232 M C 2.317 178.637 176.300 0.034 0.000 1.067 232 M CA 2.120 57.436 55.300 0.026 0.000 1.116 232 M CB -0.691 31.922 32.600 0.023 0.000 1.348 232 M HN 0.420 nan 8.290 nan 0.000 0.407 233 D N 0.401 120.816 120.400 0.026 0.000 2.104 233 D HA -0.157 4.484 4.640 0.001 0.000 0.194 233 D C 1.873 178.199 176.300 0.044 0.000 0.994 233 D CA 1.853 55.873 54.000 0.033 0.000 0.830 233 D CB 0.062 40.877 40.800 0.024 0.000 0.959 233 D HN 0.290 nan 8.370 nan 0.000 0.452 234 A N 0.030 122.865 122.820 0.025 0.000 1.978 234 A HA -0.111 4.209 4.320 0.001 0.000 0.220 234 A C 2.179 179.792 177.584 0.048 0.000 1.170 234 A CA 0.991 53.038 52.037 0.016 0.000 0.636 234 A CB -0.529 18.453 19.000 -0.031 0.000 0.810 234 A HN 0.373 nan 8.150 nan 0.000 0.448 235 I N 0.141 120.745 120.570 0.057 0.000 2.400 235 I HA -0.100 4.071 4.170 0.001 0.000 0.248 235 I C 2.664 178.875 176.117 0.156 0.000 1.109 235 I CA 1.940 63.296 61.300 0.093 0.000 1.425 235 I CB -1.000 37.045 38.000 0.077 0.000 1.094 235 I HN 0.512 nan 8.210 nan 0.000 0.425 236 S N 0.438 116.209 115.700 0.119 0.000 2.486 236 S HA -0.017 4.454 4.470 0.001 0.000 0.220 236 S C 0.725 175.366 174.600 0.069 0.000 1.011 236 S CA -0.349 57.907 58.200 0.093 0.000 0.921 236 S CB -0.373 62.862 63.200 0.058 0.000 0.785 236 S HN 0.503 nan 8.310 nan 0.000 0.517 237 E N 1.133 121.389 120.200 0.093 0.000 2.366 237 E HA 0.404 4.754 4.350 0.001 0.000 0.266 237 E C 0.145 176.814 176.600 0.114 0.000 1.051 237 E CA -0.657 55.797 56.400 0.090 0.000 0.884 237 E CB 0.483 30.248 29.700 0.109 0.000 1.006 237 E HN -0.006 nan 8.360 nan 0.000 0.417 238 R N 2.396 122.886 120.500 -0.016 0.000 2.637 238 R HA 0.122 4.462 4.340 0.001 0.000 0.446 238 R C -0.442 175.694 176.300 -0.274 0.000 1.024 238 R CA -0.221 55.712 56.100 -0.279 0.000 1.080 238 R CB 0.016 30.141 30.300 -0.291 0.000 1.421 238 R HN 0.637 nan 8.270 nan 0.000 0.593 239 D N 0.762 121.147 120.400 -0.024 0.000 2.133 239 D HA -0.201 4.440 4.640 0.001 0.000 0.195 239 D C 1.631 177.972 176.300 0.068 0.000 0.997 239 D CA 1.520 55.544 54.000 0.041 0.000 0.840 239 D CB -0.201 40.669 40.800 0.117 0.000 0.947 239 D HN 0.365 nan 8.370 nan 0.000 0.452 240 F N -0.341 119.643 119.950 0.056 0.000 2.216 240 F HA -0.108 4.419 4.527 0.001 0.000 0.300 240 F C 2.006 177.880 175.800 0.124 0.000 1.085 240 F CA 0.540 58.586 58.000 0.078 0.000 1.326 240 F CB -0.907 38.125 39.000 0.054 0.000 1.027 240 F HN -0.154 nan 8.300 nan 0.000 0.497 241 V N 0.675 120.253 119.914 -0.561 0.000 2.283 241 V HA -0.211 3.910 4.120 0.001 0.000 0.243 241 V C 2.576 178.654 176.094 -0.027 0.000 1.039 241 V CA 1.540 63.663 62.300 -0.295 0.000 1.016 241 V CB -0.622 30.916 31.823 -0.473 0.000 0.650 241 V HN 0.352 nan 8.190 nan 0.000 0.449 242 V N 1.415 121.281 119.914 -0.080 0.000 2.255 242 V HA -0.322 3.798 4.120 0.001 0.000 0.247 242 V C 2.593 178.716 176.094 0.048 0.000 1.051 242 V CA 2.580 64.868 62.300 -0.021 0.000 1.018 242 V CB -0.905 30.899 31.823 -0.032 0.000 0.641 242 V HN 0.879 nan 8.190 nan 0.000 0.445 243 E N -0.207 120.048 120.200 0.091 0.000 2.268 243 E HA -0.254 4.096 4.350 0.001 0.000 0.195 243 E C 2.148 178.876 176.600 0.213 0.000 0.995 243 E CA 1.430 57.908 56.400 0.131 0.000 0.836 243 E CB -0.476 29.300 29.700 0.128 0.000 0.763 243 E HN 0.563 nan 8.360 nan 0.000 0.491 244 F N 2.186 122.211 119.950 0.125 0.000 2.113 244 F HA -0.011 4.517 4.527 0.001 0.000 0.297 244 F C 1.859 177.803 175.800 0.239 0.000 1.103 244 F CA 1.209 59.332 58.000 0.205 0.000 1.248 244 F CB -0.206 38.895 39.000 0.169 0.000 0.999 244 F HN -0.060 nan 8.300 nan 0.000 0.475 245 L N -0.496 120.689 121.223 -0.063 0.000 2.131 245 L HA -0.198 4.142 4.340 0.001 0.000 0.210 245 L C 2.485 179.261 176.870 -0.156 0.000 1.092 245 L CA 1.274 55.989 54.840 -0.207 0.000 0.759 245 L CB -0.935 41.081 42.059 -0.071 0.000 0.903 245 L HN 0.126 nan 8.230 nan 0.000 0.435 246 S N 0.105 115.780 115.700 -0.043 0.000 2.355 246 S HA -0.182 4.288 4.470 0.001 0.000 0.222 246 S C 1.787 176.354 174.600 -0.055 0.000 1.031 246 S CA 1.336 59.523 58.200 -0.023 0.000 0.993 246 S CB -0.420 62.798 63.200 0.030 0.000 0.859 246 S HN 0.462 nan 8.310 nan 0.000 0.453 247 F N 3.014 122.892 119.950 -0.119 0.000 2.091 247 F HA -0.162 4.365 4.527 0.001 0.000 0.299 247 F C 2.226 177.916 175.800 -0.184 0.000 1.103 247 F CA 1.208 59.138 58.000 -0.117 0.000 1.228 247 F CB -0.858 38.104 39.000 -0.064 0.000 0.984 247 F HN 0.160 nan 8.300 nan 0.000 0.477 248 A N -0.189 122.125 122.820 -0.844 0.000 1.930 248 A HA -0.111 4.209 4.320 0.001 0.000 0.217 248 A C 2.181 179.437 177.584 -0.547 0.000 1.175 248 A CA 2.095 53.574 52.037 -0.931 0.000 0.627 248 A CB -1.440 17.123 19.000 -0.727 0.000 0.815 248 A HN 0.498 nan 8.150 nan 0.000 0.443 249 T N 0.054 114.398 114.554 -0.351 0.000 2.777 249 T HA -0.035 4.315 4.350 0.001 0.000 0.266 249 T C 1.828 176.366 174.700 -0.270 0.000 1.040 249 T CA 1.151 63.124 62.100 -0.211 0.000 1.141 249 T CB -0.284 68.549 68.868 -0.058 0.000 0.868 249 T HN 0.333 nan 8.240 nan 0.000 0.444 250 L N 0.765 121.801 121.223 -0.313 0.000 2.093 250 L HA -0.033 4.308 4.340 0.001 0.000 0.208 250 L C 2.358 178.880 176.870 -0.580 0.000 1.085 250 L CA 1.015 55.619 54.840 -0.394 0.000 0.755 250 L CB -0.318 41.556 42.059 -0.308 0.000 0.904 250 L HN 0.260 nan 8.230 nan 0.000 0.435 251 L N -0.432 120.478 121.223 -0.522 0.000 2.017 251 L HA -0.241 4.100 4.340 0.001 0.000 0.208 251 L C 2.417 179.120 176.870 -0.279 0.000 1.073 251 L CA 1.854 56.453 54.840 -0.402 0.000 0.745 251 L CB -0.530 41.211 42.059 -0.529 0.000 0.894 251 L HN 0.173 nan 8.230 nan 0.000 0.432 252 M N -0.562 118.868 119.600 -0.284 0.000 2.159 252 M HA -0.174 4.306 4.480 0.001 0.000 0.263 252 M C 2.287 178.495 176.300 -0.155 0.000 1.063 252 M CA 1.336 56.526 55.300 -0.183 0.000 1.110 252 M CB -1.101 31.404 32.600 -0.160 0.000 1.374 252 M HN 0.271 nan 8.290 nan 0.000 0.411 253 I N -0.674 119.769 120.570 -0.213 0.000 2.179 253 I HA -0.299 3.871 4.170 0.001 0.000 0.242 253 I C 2.301 178.380 176.117 -0.064 0.000 1.088 253 I CA 1.633 62.832 61.300 -0.169 0.000 1.357 253 I CB -1.463 36.402 38.000 -0.225 0.000 1.051 253 I HN 0.425 nan 8.210 nan 0.000 0.409 254 H N 0.263 119.281 119.070 -0.087 0.000 2.319 254 H HA -0.126 4.430 4.556 0.001 0.000 0.299 254 H C 2.389 177.674 175.328 -0.072 0.000 1.092 254 H CA 0.936 56.949 56.048 -0.057 0.000 1.302 254 H CB 0.025 29.755 29.762 -0.053 0.000 1.373 254 H HN 0.228 nan 8.280 nan 0.000 0.497 255 L N 0.426 121.665 121.223 0.027 0.000 2.141 255 L HA -0.159 4.182 4.340 0.001 0.000 0.209 255 L C 2.762 179.587 176.870 -0.074 0.000 1.094 255 L CA 1.138 55.947 54.840 -0.052 0.000 0.763 255 L CB -0.402 41.617 42.059 -0.067 0.000 0.908 255 L HN 0.368 nan 8.230 nan 0.000 0.437 256 S N -0.115 115.549 115.700 -0.061 0.000 2.402 256 S HA -0.244 4.227 4.470 0.001 0.000 0.229 256 S C 2.018 176.582 174.600 -0.061 0.000 1.021 256 S CA 1.236 59.396 58.200 -0.066 0.000 0.974 256 S CB -0.231 62.929 63.200 -0.068 0.000 0.800 256 S HN 0.411 nan 8.310 nan 0.000 0.484 257 K N 0.649 121.030 120.400 -0.031 0.000 2.062 257 K HA 0.056 4.376 4.320 0.001 0.000 0.205 257 K C 2.388 178.957 176.600 -0.051 0.000 1.051 257 K CA 1.193 57.478 56.287 -0.002 0.000 0.941 257 K CB -0.306 32.240 32.500 0.076 0.000 0.719 257 K HN 0.477 nan 8.250 nan 0.000 0.440 258 M N 0.438 119.929 119.600 -0.181 0.000 2.159 258 M HA -0.128 4.352 4.480 0.001 0.000 0.263 258 M C 1.996 178.147 176.300 -0.248 0.000 1.063 258 M CA 1.622 56.635 55.300 -0.478 0.000 1.110 258 M CB -0.076 32.123 32.600 -0.667 0.000 1.374 258 M HN 0.295 nan 8.290 nan 0.000 0.411 259 A N -0.012 122.707 122.820 -0.169 0.000 1.877 259 A HA -0.234 4.087 4.320 0.001 0.000 0.216 259 A C 1.825 179.331 177.584 -0.130 0.000 1.186 259 A CA 2.109 54.069 52.037 -0.127 0.000 0.620 259 A CB -0.847 18.094 19.000 -0.098 0.000 0.822 259 A HN 0.625 nan 8.150 nan 0.000 0.443 260 E N 0.529 120.654 120.200 -0.125 0.000 2.058 260 E HA -0.218 4.132 4.350 0.001 0.000 0.194 260 E C 1.455 177.920 176.600 -0.225 0.000 0.997 260 E CA 1.838 58.154 56.400 -0.140 0.000 0.801 260 E CB -0.255 29.383 29.700 -0.103 0.000 0.746 260 E HN 0.547 nan 8.360 nan 0.000 0.450 261 D N -0.242 120.013 120.400 -0.240 0.000 2.092 261 D HA -0.158 4.483 4.640 0.001 0.000 0.193 261 D C 1.881 177.779 176.300 -0.670 0.000 0.994 261 D CA 0.969 54.672 54.000 -0.495 0.000 0.828 261 D CB -0.259 40.426 40.800 -0.192 0.000 0.963 261 D HN 0.196 nan 8.370 nan 0.000 0.450 262 L N 0.790 121.835 121.223 -0.297 0.000 2.083 262 L HA -0.076 4.264 4.340 0.001 0.000 0.209 262 L C 2.447 179.248 176.870 -0.115 0.000 1.083 262 L CA 0.887 55.652 54.840 -0.124 0.000 0.752 262 L CB -0.751 41.302 42.059 -0.010 0.000 0.899 262 L HN 0.075 nan 8.230 nan 0.000 0.433 263 I N -1.107 119.371 120.570 -0.153 0.000 2.226 263 I HA -0.325 3.846 4.170 0.001 0.000 0.245 263 I C 2.329 178.336 176.117 -0.184 0.000 1.100 263 I CA 1.283 62.507 61.300 -0.127 0.000 1.374 263 I CB -0.128 37.801 38.000 -0.118 0.000 1.057 263 I HN 0.173 nan 8.210 nan 0.000 0.413 264 I N -0.625 119.756 120.570 -0.316 0.000 2.286 264 I HA -0.282 3.888 4.170 0.001 0.000 0.245 264 I C 2.283 178.081 176.117 -0.531 0.000 1.104 264 I CA 1.092 62.090 61.300 -0.502 0.000 1.397 264 I CB -0.393 37.196 38.000 -0.684 0.000 1.072 264 I HN 0.174 nan 8.210 nan 0.000 0.417 265 Y N 0.878 120.886 120.300 -0.488 0.000 2.333 265 Y HA -0.158 4.393 4.550 0.001 0.000 0.290 265 Y C 2.896 178.711 175.900 -0.143 0.000 1.144 265 Y CA 0.937 58.864 58.100 -0.289 0.000 1.228 265 Y CB -1.185 37.280 38.460 0.008 0.000 0.985 265 Y HN 0.287 nan 8.280 nan 0.000 0.542 266 S N -0.922 114.800 115.700 0.036 0.000 2.593 266 S HA 0.009 4.480 4.470 0.001 0.000 0.217 266 S C 0.922 175.521 174.600 -0.001 0.000 0.966 266 S CA 0.006 58.224 58.200 0.031 0.000 0.914 266 S CB -1.128 62.091 63.200 0.032 0.000 0.776 266 S HN 0.378 nan 8.310 nan 0.000 0.523 267 T N 0.764 115.298 114.554 -0.034 0.000 2.855 267 T HA 0.253 4.603 4.350 0.001 0.000 0.314 267 T C 1.431 176.142 174.700 0.017 0.000 1.077 267 T CA 0.080 62.176 62.100 -0.007 0.000 1.095 267 T CB 1.029 69.903 68.868 0.010 0.000 0.987 267 T HN 0.364 nan 8.240 nan 0.000 0.546 268 S N 0.611 116.319 115.700 0.014 0.000 2.402 268 S HA -0.133 4.337 4.470 0.001 0.000 0.229 268 S C 1.594 176.193 174.600 -0.002 0.000 1.021 268 S CA 0.853 59.056 58.200 0.005 0.000 0.974 268 S CB -0.598 62.603 63.200 0.002 0.000 0.800 268 S HN 0.785 nan 8.310 nan 0.000 0.484 269 E N 1.180 121.394 120.200 0.024 0.000 2.058 269 E HA 0.006 4.356 4.350 0.001 0.000 0.194 269 E C 1.555 178.099 176.600 -0.094 0.000 0.997 269 E CA 1.484 57.881 56.400 -0.005 0.000 0.801 269 E CB -0.529 29.203 29.700 0.054 0.000 0.746 269 E HN 0.621 nan 8.360 nan 0.000 0.450 270 F N -0.599 119.168 119.950 -0.305 0.000 2.149 270 F HA 0.157 4.684 4.527 0.000 0.000 0.294 270 F C 1.932 177.363 175.800 -0.615 0.000 1.095 270 F CA 1.257 58.868 58.000 -0.648 0.000 1.276 270 F CB -0.589 37.912 39.000 -0.832 0.000 1.023 270 F HN 0.186 nan 8.300 nan 0.000 0.480 271 G N -0.534 108.190 108.800 -0.126 0.000 2.225 271 G HA2 -0.315 3.645 3.960 0.001 0.000 0.267 271 G HA3 -0.315 3.645 3.960 0.001 0.000 0.267 271 G C 0.774 175.732 174.900 0.097 0.000 1.024 271 G CA 0.465 45.550 45.100 -0.026 0.000 0.784 271 G HN 0.243 nan 8.290 nan 0.000 0.507 272 F N -0.682 119.260 119.950 -0.014 0.000 2.416 272 F HA 0.398 4.925 4.527 0.001 0.000 0.296 272 F C 1.490 177.187 175.800 -0.171 0.000 1.099 272 F CA 0.825 58.738 58.000 -0.145 0.000 1.427 272 F CB -0.288 38.551 39.000 -0.268 0.000 1.079 272 F HN 0.470 nan 8.300 nan 0.000 0.536 273 L N -3.867 117.424 121.223 0.113 0.000 2.720 273 L HA 0.792 5.132 4.340 0.001 0.000 0.261 273 L C -0.851 176.057 176.870 0.063 0.000 1.046 273 L CA -0.773 54.096 54.840 0.048 0.000 0.886 273 L CB 1.894 43.990 42.059 0.062 0.000 1.493 273 L HN -0.354 nan 8.230 nan 0.000 0.407 274 T N 1.274 115.860 114.554 0.054 0.000 2.921 274 T HA 0.674 5.024 4.350 0.001 0.000 0.297 274 T C -0.396 174.348 174.700 0.073 0.000 1.013 274 T CA -0.491 61.643 62.100 0.056 0.000 0.990 274 T CB 1.443 70.335 68.868 0.041 0.000 1.023 274 T HN 0.642 nan 8.240 nan 0.000 0.447 275 L N 2.399 123.671 121.223 0.081 0.000 2.453 275 L HA 0.461 4.802 4.340 0.001 0.000 0.261 275 L C 1.315 178.255 176.870 0.117 0.000 1.179 275 L CA -0.699 54.207 54.840 0.111 0.000 0.813 275 L CB 0.736 42.866 42.059 0.119 0.000 1.110 275 L HN 0.787 nan 8.230 nan 0.000 0.466 276 S N -0.560 115.240 115.700 0.167 0.000 2.624 276 S HA 0.065 4.535 4.470 0.001 0.000 0.263 276 S C 0.542 175.196 174.600 0.089 0.000 1.287 276 S CA -0.691 57.587 58.200 0.131 0.000 0.990 276 S CB 1.038 64.340 63.200 0.169 0.000 0.950 276 S HN 0.585 nan 8.310 nan 0.000 0.561 277 D N 1.297 121.714 120.400 0.028 0.000 2.144 277 D HA -0.039 4.601 4.640 0.001 0.000 0.199 277 D C 2.198 178.452 176.300 -0.076 0.000 0.984 277 D CA 1.725 55.718 54.000 -0.012 0.000 0.834 277 D CB -0.892 39.895 40.800 -0.022 0.000 0.955 277 D HN 0.716 nan 8.370 nan 0.000 0.465 278 A N -0.104 122.610 122.820 -0.176 0.000 1.978 278 A HA -0.148 4.172 4.320 0.001 0.000 0.220 278 A C 1.459 178.701 177.584 -0.569 0.000 1.170 278 A CA 0.993 52.765 52.037 -0.442 0.000 0.636 278 A CB -0.680 17.895 19.000 -0.708 0.000 0.810 278 A HN 0.255 nan 8.150 nan 0.000 0.448 279 F N -0.037 119.918 119.950 0.009 0.000 2.684 279 F HA 0.283 4.811 4.527 0.000 0.000 0.298 279 F C 0.887 176.690 175.800 0.005 0.000 1.120 279 F CA 0.309 58.312 58.000 0.006 0.000 1.332 279 F CB 0.330 39.336 39.000 0.009 0.000 0.986 279 F HN 0.229 nan 8.300 nan 0.000 0.524 280 S N -1.180 114.580 115.700 0.100 0.000 2.688 280 S HA 0.815 5.285 4.470 0.001 0.000 0.275 280 S C -0.512 174.105 174.600 0.028 0.000 1.175 280 S CA -0.558 57.684 58.200 0.071 0.000 0.818 280 S CB 2.147 65.390 63.200 0.072 0.000 1.157 280 S HN 0.028 nan 8.310 nan 0.000 0.482 281 T N -2.320 112.247 114.554 0.022 0.000 2.896 281 T HA 0.918 5.269 4.350 0.001 0.000 0.297 281 T C -0.055 174.651 174.700 0.009 0.000 1.108 281 T CA -0.406 61.700 62.100 0.009 0.000 1.004 281 T CB 1.264 70.136 68.868 0.007 0.000 1.159 281 T HN 1.816 nan 8.240 nan 0.000 0.499 282 G N 0.303 109.106 108.800 0.005 0.000 2.673 282 G HA2 0.581 4.541 3.960 0.001 0.000 0.292 282 G HA3 0.581 4.541 3.960 0.001 0.000 0.292 282 G C -0.913 173.988 174.900 0.002 0.000 1.450 282 G CA -0.488 44.615 45.100 0.004 0.000 0.837 282 G HN 1.242 nan 8.290 nan 0.000 0.505 283 S N -0.838 114.863 115.700 0.002 0.000 2.565 283 S HA 0.546 5.016 4.470 0.001 0.000 0.290 283 S C 1.555 176.155 174.600 0.001 0.000 1.150 283 S CA 0.445 58.645 58.200 0.001 0.000 1.058 283 S CB 1.744 64.944 63.200 0.001 0.000 1.032 283 S HN 1.656 nan 8.310 nan 0.000 0.510 284 S N 1.807 117.507 115.700 -0.000 0.000 2.442 284 S HA -0.101 4.369 4.470 0.001 0.000 0.236 284 S C 1.479 176.079 174.600 0.000 0.000 1.007 284 S CA 0.556 58.756 58.200 -0.000 0.000 0.965 284 S CB -0.697 62.502 63.200 -0.001 0.000 0.773 284 S HN 0.558 nan 8.310 nan 0.000 0.504 285 L N 0.598 121.821 121.223 0.000 0.000 2.156 285 L HA 0.308 4.648 4.340 0.001 0.000 0.208 285 L C 1.352 178.222 176.870 0.001 0.000 1.095 285 L CA 1.389 56.229 54.840 0.000 0.000 0.770 285 L CB -0.647 41.412 42.059 0.000 0.000 0.914 285 L HN 0.435 nan 8.230 nan 0.000 0.439 286 M N 0.549 120.150 119.600 0.001 0.000 2.488 286 M HA 0.216 4.697 4.480 0.001 0.000 0.204 286 M C -1.549 174.752 176.300 0.002 0.000 0.969 286 M CA -1.107 54.194 55.300 0.001 0.000 0.720 286 M CB 1.408 34.009 32.600 0.002 0.000 1.427 286 M HN -0.147 nan 8.290 nan 0.000 0.427 287 P HA -0.203 nan 4.420 nan 0.000 0.220 287 P C 0.727 178.030 177.300 0.004 0.000 1.144 287 P CA 1.476 64.577 63.100 0.003 0.000 0.800 287 P CB 0.229 31.930 31.700 0.002 0.000 0.772 288 Q N -0.246 119.556 119.800 0.004 0.000 2.425 288 Q HA 0.046 4.386 4.340 0.001 0.000 0.204 288 Q C 1.110 177.114 176.000 0.007 0.000 0.933 288 Q CA 0.390 56.197 55.803 0.006 0.000 0.939 288 Q CB 0.064 28.804 28.738 0.004 0.000 1.044 288 Q HN 0.435 nan 8.270 nan 0.000 0.513 289 K N 1.397 121.801 120.400 0.006 0.000 2.227 289 K HA 0.238 4.558 4.320 0.001 0.000 0.280 289 K C -0.731 175.875 176.600 0.010 0.000 1.041 289 K CA -0.158 56.133 56.287 0.007 0.000 0.905 289 K CB 0.708 33.211 32.500 0.005 0.000 1.068 289 K HN -0.271 nan 8.250 nan 0.000 0.470 290 K N 3.684 124.092 120.400 0.013 0.000 2.413 290 K HA 0.277 4.597 4.320 0.001 0.000 0.257 290 K C -1.067 175.543 176.600 0.017 0.000 0.946 290 K CA -0.990 55.307 56.287 0.018 0.000 0.823 290 K CB 1.437 33.953 32.500 0.027 0.000 1.109 290 K HN 0.608 nan 8.250 nan 0.000 0.427 291 N N 4.018 122.728 118.700 0.016 0.000 2.434 291 N HA 0.163 4.903 4.740 0.001 0.000 0.272 291 N C -2.321 173.202 175.510 0.022 0.000 1.040 291 N CA -1.611 51.447 53.050 0.013 0.000 0.956 291 N CB 1.147 39.639 38.487 0.009 0.000 1.108 291 N HN 0.287 nan 8.380 nan 0.000 0.481 292 P HA 0.152 nan 4.420 nan 0.000 0.226 292 P C -0.345 176.971 177.300 0.026 0.000 1.783 292 P CA -0.132 62.984 63.100 0.026 0.000 0.980 292 P CB 0.070 31.774 31.700 0.007 0.000 1.967 293 D N 0.932 121.355 120.400 0.038 0.000 2.116 293 D HA -0.202 4.439 4.640 0.001 0.000 0.193 293 D C 2.241 178.569 176.300 0.046 0.000 0.998 293 D CA 2.359 56.380 54.000 0.037 0.000 0.836 293 D CB -0.249 40.575 40.800 0.040 0.000 0.951 293 D HN 0.295 nan 8.370 nan 0.000 0.449 294 S N 0.374 116.124 115.700 0.083 0.000 2.365 294 S HA -0.199 4.272 4.470 0.001 0.000 0.225 294 S C 2.133 176.744 174.600 0.019 0.000 1.039 294 S CA 0.891 59.144 58.200 0.088 0.000 1.033 294 S CB -0.884 62.411 63.200 0.158 0.000 0.887 294 S HN 0.267 nan 8.310 nan 0.000 0.447 295 L N 1.295 122.517 121.223 -0.001 0.000 2.083 295 L HA -0.072 4.268 4.340 0.001 0.000 0.209 295 L C 2.955 179.806 176.870 -0.032 0.000 1.083 295 L CA 1.623 56.443 54.840 -0.033 0.000 0.752 295 L CB -0.659 41.374 42.059 -0.042 0.000 0.899 295 L HN 0.407 nan 8.230 nan 0.000 0.433 296 E N 0.162 120.352 120.200 -0.017 0.000 2.106 296 E HA -0.175 4.175 4.350 0.001 0.000 0.192 296 E C 2.365 178.957 176.600 -0.014 0.000 0.984 296 E CA 0.868 57.257 56.400 -0.019 0.000 0.806 296 E CB -0.052 29.641 29.700 -0.011 0.000 0.750 296 E HN 0.441 nan 8.360 nan 0.000 0.458 297 L N 0.623 121.844 121.223 -0.003 0.000 2.017 297 L HA -0.198 4.142 4.340 0.001 0.000 0.208 297 L C 2.443 179.306 176.870 -0.011 0.000 1.073 297 L CA 0.998 55.838 54.840 0.000 0.000 0.745 297 L CB -0.336 41.732 42.059 0.015 0.000 0.894 297 L HN 0.152 nan 8.230 nan 0.000 0.432 298 I N -0.482 120.076 120.570 -0.020 0.000 2.163 298 I HA -0.348 3.822 4.170 0.001 0.000 0.243 298 I C 2.875 178.967 176.117 -0.042 0.000 1.085 298 I CA 1.359 62.638 61.300 -0.036 0.000 1.347 298 I CB -0.314 37.653 38.000 -0.054 0.000 1.044 298 I HN 0.238 nan 8.210 nan 0.000 0.408 299 R N 0.984 121.458 120.500 -0.044 0.000 2.083 299 R HA -0.217 4.123 4.340 0.001 0.000 0.237 299 R C 2.487 178.765 176.300 -0.037 0.000 1.137 299 R CA 2.174 58.246 56.100 -0.047 0.000 0.951 299 R CB -0.287 29.984 30.300 -0.049 0.000 0.851 299 R HN 0.486 nan 8.270 nan 0.000 0.434 300 S N 0.168 115.853 115.700 -0.025 0.000 2.442 300 S HA -0.060 4.410 4.470 0.001 0.000 0.236 300 S C 1.492 176.086 174.600 -0.010 0.000 1.007 300 S CA 0.778 58.969 58.200 -0.015 0.000 0.965 300 S CB -0.020 63.175 63.200 -0.008 0.000 0.773 300 S HN 0.246 nan 8.310 nan 0.000 0.504 301 K N 1.538 121.928 120.400 -0.016 0.000 2.432 301 K HA 0.308 4.628 4.320 0.001 0.000 0.196 301 K C 2.244 178.832 176.600 -0.020 0.000 1.038 301 K CA 0.858 57.136 56.287 -0.014 0.000 0.986 301 K CB -0.835 31.654 32.500 -0.018 0.000 0.782 301 K HN 0.518 nan 8.250 nan 0.000 0.485 302 A N 1.198 124.000 122.820 -0.031 0.000 1.902 302 A HA -0.080 4.241 4.320 0.001 0.000 0.217 302 A C 2.432 180.027 177.584 0.019 0.000 1.181 302 A CA 2.016 54.030 52.037 -0.038 0.000 0.623 302 A CB -0.942 18.018 19.000 -0.066 0.000 0.818 302 A HN 0.354 nan 8.150 nan 0.000 0.443 303 G N -0.868 107.952 108.800 0.033 0.000 2.394 303 G HA2 -0.202 3.759 3.960 0.001 0.000 0.215 303 G HA3 -0.202 3.759 3.960 0.001 0.000 0.215 303 G C 1.726 176.682 174.900 0.094 0.000 1.165 303 G CA 0.898 46.059 45.100 0.102 0.000 0.784 303 G HN 0.540 nan 8.290 nan 0.000 0.535 304 R N -0.001 120.521 120.500 0.037 0.000 2.083 304 R HA -0.063 4.277 4.340 0.001 0.000 0.237 304 R C 2.579 178.880 176.300 0.001 0.000 1.137 304 R CA 1.694 57.801 56.100 0.012 0.000 0.951 304 R CB -0.431 29.872 30.300 0.006 0.000 0.851 304 R HN 0.252 nan 8.270 nan 0.000 0.434 305 V N 0.880 120.797 119.914 0.004 0.000 2.358 305 V HA -0.224 3.896 4.120 0.001 0.000 0.246 305 V C 2.071 178.165 176.094 0.000 0.000 1.047 305 V CA 1.811 64.098 62.300 -0.022 0.000 1.035 305 V CB -0.720 31.066 31.823 -0.062 0.000 0.658 305 V HN 0.354 nan 8.190 nan 0.000 0.452 306 F N 2.370 122.261 119.950 -0.097 0.000 2.161 306 F HA -0.065 4.462 4.527 -0.000 0.000 0.300 306 F C 2.112 177.869 175.800 -0.071 0.000 1.089 306 F CA 1.496 59.442 58.000 -0.090 0.000 1.282 306 F CB -0.941 38.010 39.000 -0.081 0.000 1.010 306 F HN 0.130 nan 8.300 nan 0.000 0.485 307 G N 0.722 109.382 108.800 -0.234 0.000 2.422 307 G HA2 -0.234 3.726 3.960 0.001 0.000 0.218 307 G HA3 -0.234 3.726 3.960 0.001 0.000 0.218 307 G C 1.822 176.551 174.900 -0.285 0.000 1.146 307 G CA 0.548 45.449 45.100 -0.333 0.000 0.769 307 G HN 0.214 nan 8.290 nan 0.000 0.547 308 R N -0.256 120.134 120.500 -0.184 0.000 2.075 308 R HA 0.055 4.395 4.340 0.001 0.000 0.232 308 R C 2.469 178.668 176.300 -0.168 0.000 1.126 308 R CA 0.767 56.780 56.100 -0.144 0.000 0.963 308 R CB -1.237 29.013 30.300 -0.083 0.000 0.858 308 R HN 0.456 nan 8.270 nan 0.000 0.435 309 L N 0.997 122.108 121.223 -0.188 0.000 2.017 309 L HA -0.076 4.264 4.340 0.001 0.000 0.208 309 L C 2.225 178.958 176.870 -0.228 0.000 1.073 309 L CA 2.149 56.890 54.840 -0.165 0.000 0.745 309 L CB -0.817 41.179 42.059 -0.105 0.000 0.894 309 L HN 0.152 nan 8.230 nan 0.000 0.432 310 A N -0.631 121.940 122.820 -0.415 0.000 1.883 310 A HA -0.255 4.065 4.320 0.001 0.000 0.217 310 A C 2.518 179.955 177.584 -0.246 0.000 1.186 310 A CA 2.457 54.246 52.037 -0.413 0.000 0.624 310 A CB -1.310 17.277 19.000 -0.688 0.000 0.822 310 A HN 0.705 nan 8.150 nan 0.000 0.444 311 S N -0.148 115.417 115.700 -0.225 0.000 2.368 311 S HA -0.131 4.339 4.470 0.001 0.000 0.225 311 S C 1.794 176.315 174.600 -0.131 0.000 1.030 311 S CA 1.497 59.602 58.200 -0.159 0.000 0.999 311 S CB -0.525 62.590 63.200 -0.143 0.000 0.844 311 S HN 0.327 nan 8.310 nan 0.000 0.459 312 I N 2.046 122.537 120.570 -0.131 0.000 2.315 312 I HA 0.001 4.171 4.170 0.001 0.000 0.248 312 I C 2.489 178.544 176.117 -0.104 0.000 1.117 312 I CA 0.725 61.955 61.300 -0.117 0.000 1.404 312 I CB -1.524 36.405 38.000 -0.118 0.000 1.071 312 I HN 0.323 nan 8.210 nan 0.000 0.419 313 L N -0.142 121.021 121.223 -0.101 0.000 2.042 313 L HA -0.241 4.099 4.340 0.001 0.000 0.210 313 L C 2.699 179.524 176.870 -0.074 0.000 1.076 313 L CA 1.543 56.335 54.840 -0.079 0.000 0.749 313 L CB -0.469 41.548 42.059 -0.070 0.000 0.893 313 L HN 0.242 nan 8.230 nan 0.000 0.432 314 M N -0.830 118.719 119.600 -0.085 0.000 2.175 314 M HA -0.152 4.328 4.480 0.001 0.000 0.264 314 M C 2.087 178.344 176.300 -0.072 0.000 1.063 314 M CA 1.469 56.725 55.300 -0.074 0.000 1.119 314 M CB 0.044 32.597 32.600 -0.079 0.000 1.377 314 M HN -0.021 nan 8.290 nan 0.000 0.415 315 V N 0.964 120.829 119.914 -0.082 0.000 2.343 315 V HA -0.269 3.851 4.120 0.001 0.000 0.247 315 V C 2.312 178.359 176.094 -0.080 0.000 1.051 315 V CA 1.766 64.017 62.300 -0.082 0.000 1.036 315 V CB -0.611 31.156 31.823 -0.093 0.000 0.654 315 V HN 0.556 nan 8.190 nan 0.000 0.451 316 L N -0.641 120.535 121.223 -0.079 0.000 2.156 316 L HA -0.020 4.320 4.340 0.001 0.000 0.208 316 L C 1.549 178.385 176.870 -0.056 0.000 1.095 316 L CA 0.638 55.435 54.840 -0.071 0.000 0.770 316 L CB -0.406 41.612 42.059 -0.069 0.000 0.914 316 L HN 0.173 nan 8.230 nan 0.000 0.439 317 K N 1.470 121.840 120.400 -0.051 0.000 2.472 317 K HA -0.036 4.284 4.320 0.001 0.000 0.280 317 K C 0.945 177.522 176.600 -0.038 0.000 1.028 317 K CA 1.018 57.281 56.287 -0.040 0.000 1.045 317 K CB 0.340 32.818 32.500 -0.037 0.000 0.902 317 K HN 0.322 nan 8.250 nan 0.000 0.478 318 G N 3.615 112.396 108.800 -0.031 0.000 2.166 318 G HA2 -0.271 3.689 3.960 0.001 0.000 0.260 318 G HA3 -0.271 3.689 3.960 0.001 0.000 0.260 318 G C 0.249 175.128 174.900 -0.034 0.000 0.986 318 G CA 0.423 45.505 45.100 -0.029 0.000 0.683 318 G HN 0.547 nan 8.290 nan 0.000 0.527 319 L N 1.812 123.010 121.223 -0.042 0.000 2.397 319 L HA 0.426 4.767 4.340 0.001 0.000 0.271 319 L C -0.667 176.179 176.870 -0.039 0.000 1.148 319 L CA -1.614 53.196 54.840 -0.050 0.000 0.825 319 L CB 0.611 42.628 42.059 -0.070 0.000 1.117 319 L HN 0.110 nan 8.230 nan 0.000 0.456 320 P HA 0.272 nan 4.420 nan 0.000 0.280 320 P C -0.852 176.435 177.300 -0.022 0.000 1.272 320 P CA -0.610 62.475 63.100 -0.024 0.000 0.819 320 P CB 1.175 32.864 31.700 -0.020 0.000 1.122 321 S N -0.496 115.199 115.700 -0.009 0.000 2.585 321 S HA 0.253 4.723 4.470 0.001 0.000 0.273 321 S C 0.968 175.573 174.600 0.009 0.000 1.339 321 S CA -0.079 58.123 58.200 0.003 0.000 1.028 321 S CB 0.527 63.733 63.200 0.010 0.000 0.906 321 S HN 0.522 nan 8.310 nan 0.000 0.528 322 T N 0.575 115.147 114.554 0.030 0.000 3.499 322 T HA 0.159 4.509 4.350 0.001 0.000 0.227 322 T C -0.280 174.459 174.700 0.066 0.000 0.946 322 T CA 0.108 62.238 62.100 0.050 0.000 1.368 322 T CB -0.353 68.557 68.868 0.071 0.000 1.227 322 T HN 0.593 nan 8.240 nan 0.000 0.398 323 Y N 2.818 123.114 120.300 -0.006 0.000 2.301 323 Y HA 0.511 5.062 4.550 0.001 0.000 0.325 323 Y C -0.381 175.513 175.900 -0.011 0.000 1.203 323 Y CA -0.737 57.358 58.100 -0.008 0.000 1.255 323 Y CB 0.544 38.998 38.460 -0.010 0.000 1.232 323 Y HN 0.174 nan 8.280 nan 0.000 0.501 324 N N 3.827 121.979 118.700 -0.913 0.000 2.331 324 N HA 0.098 4.838 4.740 0.001 0.000 0.280 324 N C -0.302 174.725 175.510 -0.804 0.000 1.155 324 N CA -0.744 51.971 53.050 -0.557 0.000 0.822 324 N CB 1.997 40.315 38.487 -0.282 0.000 1.619 324 N HN 0.525 nan 8.380 nan 0.000 0.476 325 K N 1.038 121.223 120.400 -0.358 0.000 2.280 325 K HA -0.081 4.240 4.320 0.001 0.000 0.202 325 K C 0.324 176.820 176.600 -0.174 0.000 1.047 325 K CA 1.590 57.766 56.287 -0.185 0.000 0.942 325 K CB -0.126 32.358 32.500 -0.026 0.000 0.739 325 K HN 0.460 nan 8.250 nan 0.000 0.457 326 D N 0.300 120.583 120.400 -0.195 0.000 2.158 326 D HA -0.183 4.457 4.640 0.001 0.000 0.197 326 D C 1.458 177.675 176.300 -0.139 0.000 0.995 326 D CA 1.281 55.197 54.000 -0.140 0.000 0.846 326 D CB -0.137 40.583 40.800 -0.133 0.000 0.941 326 D HN 0.222 nan 8.370 nan 0.000 0.456 327 L N 0.307 121.409 121.223 -0.201 0.000 2.349 327 L HA -0.194 4.146 4.340 0.001 0.000 0.220 327 L C 2.313 179.145 176.870 -0.064 0.000 1.130 327 L CA 0.753 55.509 54.840 -0.141 0.000 0.791 327 L CB -0.463 41.498 42.059 -0.164 0.000 0.918 327 L HN 0.101 nan 8.230 nan 0.000 0.444 328 Q N 0.257 120.035 119.800 -0.037 0.000 2.364 328 Q HA -0.179 4.161 4.340 0.001 0.000 0.209 328 Q C 1.687 177.685 176.000 -0.003 0.000 0.977 328 Q CA 0.860 56.675 55.803 0.020 0.000 0.885 328 Q CB 0.213 28.981 28.738 0.051 0.000 0.941 328 Q HN 0.415 nan 8.270 nan 0.000 0.464 329 E N 0.880 121.050 120.200 -0.050 0.000 2.478 329 E HA -0.131 4.219 4.350 0.001 0.000 0.198 329 E C 1.065 177.591 176.600 -0.125 0.000 1.046 329 E CA 0.904 57.254 56.400 -0.083 0.000 0.870 329 E CB 0.123 29.770 29.700 -0.089 0.000 0.818 329 E HN 0.633 nan 8.360 nan 0.000 0.527 330 D N 1.202 121.529 120.400 -0.121 0.000 2.097 330 D HA -0.199 4.442 4.640 0.001 0.000 0.195 330 D C 1.601 177.753 176.300 -0.246 0.000 0.989 330 D CA 1.095 54.995 54.000 -0.166 0.000 0.827 330 D CB -0.411 40.294 40.800 -0.159 0.000 0.966 330 D HN 0.054 nan 8.370 nan 0.000 0.456 331 K N 0.420 120.655 120.400 -0.276 0.000 2.020 331 K HA -0.184 4.137 4.320 0.001 0.000 0.212 331 K C 2.347 178.477 176.600 -0.784 0.000 1.050 331 K CA 1.764 57.688 56.287 -0.605 0.000 0.929 331 K CB -0.216 32.105 32.500 -0.299 0.000 0.714 331 K HN 0.280 nan 8.250 nan 0.000 0.443 332 E N 0.219 120.134 120.200 -0.476 0.000 2.118 332 E HA -0.195 4.155 4.350 0.001 0.000 0.195 332 E C 1.997 178.470 176.600 -0.212 0.000 0.992 332 E CA 1.051 57.222 56.400 -0.382 0.000 0.804 332 E CB -0.088 29.331 29.700 -0.468 0.000 0.741 332 E HN 0.371 nan 8.360 nan 0.000 0.458 333 A N 0.653 123.355 122.820 -0.197 0.000 1.898 333 A HA -0.118 4.203 4.320 0.001 0.000 0.216 333 A C 2.464 180.041 177.584 -0.012 0.000 1.181 333 A CA 0.987 52.966 52.037 -0.097 0.000 0.620 333 A CB -0.515 18.426 19.000 -0.100 0.000 0.819 333 A HN 0.110 nan 8.150 nan 0.000 0.442 334 V N -0.771 119.096 119.914 -0.078 0.000 2.295 334 V HA -0.263 3.858 4.120 0.001 0.000 0.246 334 V C 2.351 178.584 176.094 0.232 0.000 1.049 334 V CA 2.084 64.432 62.300 0.080 0.000 1.024 334 V CB -1.076 30.694 31.823 -0.089 0.000 0.648 334 V HN 0.642 nan 8.190 nan 0.000 0.447 335 F N 0.465 120.487 119.950 0.119 0.000 2.126 335 F HA -0.237 4.291 4.527 0.001 0.000 0.299 335 F C 2.508 178.387 175.800 0.132 0.000 1.096 335 F CA 1.485 59.558 58.000 0.122 0.000 1.255 335 F CB -0.386 38.613 39.000 -0.002 0.000 0.997 335 F HN 0.260 nan 8.300 nan 0.000 0.479 336 D N 0.629 121.186 120.400 0.262 0.000 2.097 336 D HA -0.150 4.490 4.640 0.001 0.000 0.195 336 D C 2.075 178.478 176.300 0.172 0.000 0.989 336 D CA 1.237 55.335 54.000 0.164 0.000 0.827 336 D CB -0.252 40.594 40.800 0.076 0.000 0.966 336 D HN 0.053 nan 8.370 nan 0.000 0.456 337 V N -0.141 119.895 119.914 0.202 0.000 2.453 337 V HA -0.148 3.972 4.120 0.001 0.000 0.247 337 V C 2.681 178.965 176.094 0.317 0.000 1.048 337 V CA 1.016 63.436 62.300 0.201 0.000 1.049 337 V CB -0.161 31.756 31.823 0.156 0.000 0.672 337 V HN 0.126 nan 8.190 nan 0.000 0.457 338 V N 0.319 120.499 119.914 0.444 0.000 2.295 338 V HA -0.250 3.870 4.120 0.001 0.000 0.246 338 V C 2.291 178.556 176.094 0.285 0.000 1.049 338 V CA 2.264 64.819 62.300 0.425 0.000 1.024 338 V CB -0.611 31.464 31.823 0.420 0.000 0.648 338 V HN 0.562 nan 8.190 nan 0.000 0.447 339 D N -0.383 120.167 120.400 0.249 0.000 2.117 339 D HA -0.121 4.519 4.640 0.001 0.000 0.198 339 D C 2.272 178.648 176.300 0.127 0.000 0.982 339 D CA 1.738 55.840 54.000 0.170 0.000 0.828 339 D CB -0.459 40.428 40.800 0.145 0.000 0.967 339 D HN 0.390 nan 8.370 nan 0.000 0.464 340 T N 1.458 116.085 114.554 0.121 0.000 2.652 340 T HA -0.090 4.261 4.350 0.001 0.000 0.267 340 T C 2.225 176.964 174.700 0.065 0.000 1.039 340 T CA 0.657 62.801 62.100 0.075 0.000 1.153 340 T CB -0.337 68.564 68.868 0.055 0.000 0.863 340 T HN 0.120 nan 8.240 nan 0.000 0.428 341 L N 0.647 121.926 121.223 0.093 0.000 2.046 341 L HA -0.124 4.216 4.340 0.001 0.000 0.208 341 L C 2.946 179.878 176.870 0.104 0.000 1.077 341 L CA 1.321 56.213 54.840 0.087 0.000 0.747 341 L CB -1.229 40.913 42.059 0.139 0.000 0.896 341 L HN 0.315 nan 8.230 nan 0.000 0.432 342 T N 0.021 114.660 114.554 0.142 0.000 2.720 342 T HA -0.196 4.154 4.350 0.001 0.000 0.268 342 T C 1.970 176.656 174.700 -0.023 0.000 1.037 342 T CA 1.470 63.648 62.100 0.129 0.000 1.144 342 T CB -0.199 68.772 68.868 0.171 0.000 0.864 342 T HN 0.465 nan 8.240 nan 0.000 0.444 343 A N 0.786 123.610 122.820 0.007 0.000 1.854 343 A HA 0.015 4.336 4.320 0.001 0.000 0.214 343 A C 2.601 180.169 177.584 -0.026 0.000 1.192 343 A CA 1.129 53.156 52.037 -0.017 0.000 0.611 343 A CB -1.032 17.979 19.000 0.018 0.000 0.832 343 A HN 0.316 nan 8.150 nan 0.000 0.442 344 V N 0.278 120.186 119.914 -0.010 0.000 2.287 344 V HA -0.285 3.835 4.120 0.001 0.000 0.248 344 V C 2.609 178.678 176.094 -0.042 0.000 1.053 344 V CA 2.117 64.403 62.300 -0.022 0.000 1.027 344 V CB -0.762 31.049 31.823 -0.021 0.000 0.646 344 V HN 0.563 nan 8.190 nan 0.000 0.447 345 L N -0.728 120.478 121.223 -0.029 0.000 2.083 345 L HA -0.251 4.089 4.340 0.001 0.000 0.209 345 L C 2.670 179.502 176.870 -0.064 0.000 1.083 345 L CA 1.684 56.512 54.840 -0.021 0.000 0.752 345 L CB -0.538 41.556 42.059 0.058 0.000 0.899 345 L HN 0.396 nan 8.230 nan 0.000 0.433 346 Q N -0.912 118.808 119.800 -0.132 0.000 2.123 346 Q HA -0.145 4.196 4.340 0.001 0.000 0.199 346 Q C 2.354 178.307 176.000 -0.079 0.000 0.966 346 Q CA 1.204 56.923 55.803 -0.140 0.000 0.845 346 Q CB -0.076 28.522 28.738 -0.232 0.000 0.907 346 Q HN 0.352 nan 8.270 nan 0.000 0.439 347 V N 1.013 120.890 119.914 -0.062 0.000 2.358 347 V HA -0.261 3.859 4.120 0.001 0.000 0.246 347 V C 2.257 178.178 176.094 -0.289 0.000 1.047 347 V CA 1.795 64.043 62.300 -0.087 0.000 1.035 347 V CB -0.877 30.949 31.823 0.005 0.000 0.658 347 V HN 0.379 nan 8.190 nan 0.000 0.452 348 A N -0.376 122.332 122.820 -0.186 0.000 1.902 348 A HA -0.218 4.103 4.320 0.001 0.000 0.217 348 A C 2.401 179.859 177.584 -0.210 0.000 1.181 348 A CA 2.446 54.364 52.037 -0.197 0.000 0.623 348 A CB -0.933 17.992 19.000 -0.125 0.000 0.818 348 A HN 0.491 nan 8.150 nan 0.000 0.443 349 T N -0.205 114.258 114.554 -0.152 0.000 2.708 349 T HA -0.068 4.282 4.350 0.001 0.000 0.266 349 T C 1.989 176.594 174.700 -0.157 0.000 1.037 349 T CA 1.597 63.633 62.100 -0.105 0.000 1.146 349 T CB -0.699 68.147 68.868 -0.036 0.000 0.865 349 T HN 0.592 nan 8.240 nan 0.000 0.435 350 G N 0.969 109.616 108.800 -0.254 0.000 2.440 350 G HA2 -0.184 3.776 3.960 0.001 0.000 0.218 350 G HA3 -0.184 3.776 3.960 0.001 0.000 0.218 350 G C 1.724 176.250 174.900 -0.623 0.000 1.154 350 G CA 0.910 45.814 45.100 -0.327 0.000 0.767 350 G HN 0.422 nan 8.290 nan 0.000 0.552 351 V N 1.531 120.879 119.914 -0.943 0.000 2.255 351 V HA -0.188 3.932 4.120 0.001 0.000 0.247 351 V C 2.820 178.802 176.094 -0.187 0.000 1.051 351 V CA 1.474 63.426 62.300 -0.581 0.000 1.018 351 V CB -0.347 31.221 31.823 -0.425 0.000 0.641 351 V HN 0.287 nan 8.190 nan 0.000 0.445 352 I N 0.012 120.499 120.570 -0.139 0.000 2.226 352 I HA -0.184 3.986 4.170 0.001 0.000 0.245 352 I C 2.712 178.847 176.117 0.030 0.000 1.100 352 I CA 2.063 63.352 61.300 -0.018 0.000 1.374 352 I CB -1.435 36.544 38.000 -0.035 0.000 1.057 352 I HN 0.404 nan 8.210 nan 0.000 0.413 353 S N 0.507 116.207 115.700 0.001 0.000 2.383 353 S HA -0.146 4.325 4.470 0.001 0.000 0.227 353 S C 1.915 176.564 174.600 0.081 0.000 1.026 353 S CA 2.157 60.385 58.200 0.046 0.000 0.981 353 S CB -0.284 62.942 63.200 0.043 0.000 0.818 353 S HN 0.648 nan 8.310 nan 0.000 0.472 354 T N 0.042 114.651 114.554 0.093 0.000 3.069 354 T HA 0.368 4.718 4.350 0.001 0.000 0.252 354 T C 0.488 175.265 174.700 0.130 0.000 1.053 354 T CA -0.255 61.927 62.100 0.136 0.000 0.964 354 T CB -0.562 68.445 68.868 0.231 0.000 1.005 354 T HN 0.350 nan 8.240 nan 0.000 0.532 355 L N 0.255 121.548 121.223 0.117 0.000 2.473 355 L HA 0.526 4.866 4.340 0.001 0.000 0.268 355 L C -0.206 176.727 176.870 0.104 0.000 1.215 355 L CA -0.375 54.536 54.840 0.118 0.000 0.823 355 L CB 0.047 42.186 42.059 0.133 0.000 1.099 355 L HN 0.010 nan 8.230 nan 0.000 0.483 356 Q N 2.850 122.696 119.800 0.076 0.000 2.322 356 Q HA 0.606 4.946 4.340 0.001 0.000 0.265 356 Q C -0.652 175.348 176.000 -0.001 0.000 0.985 356 Q CA -0.635 55.193 55.803 0.041 0.000 0.849 356 Q CB 2.375 31.133 28.738 0.034 0.000 1.274 356 Q HN 0.785 nan 8.270 nan 0.000 0.449 357 I N -1.322 119.212 120.570 -0.061 0.000 2.677 357 I HA 0.524 4.694 4.170 0.001 0.000 0.305 357 I C 0.002 176.032 176.117 -0.146 0.000 0.988 357 I CA -0.566 60.624 61.300 -0.183 0.000 1.260 357 I CB 1.771 39.509 38.000 -0.437 0.000 1.410 357 I HN 0.333 nan 8.210 nan 0.000 0.523 358 S N 3.178 118.786 115.700 -0.153 0.000 2.488 358 S HA 0.330 4.800 4.470 0.001 0.000 0.310 358 S C 0.719 175.220 174.600 -0.165 0.000 1.093 358 S CA -0.766 57.374 58.200 -0.101 0.000 1.129 358 S CB 0.407 63.589 63.200 -0.029 0.000 0.989 358 S HN 0.774 nan 8.310 nan 0.000 0.479 359 K N 2.853 123.155 120.400 -0.164 0.000 2.097 359 K HA -0.166 4.155 4.320 0.001 0.000 0.206 359 K C 1.866 178.380 176.600 -0.143 0.000 1.049 359 K CA 1.570 57.748 56.287 -0.182 0.000 0.933 359 K CB -0.043 32.384 32.500 -0.123 0.000 0.717 359 K HN 0.777 nan 8.250 nan 0.000 0.442 360 E N 1.273 121.418 120.200 -0.091 0.000 2.038 360 E HA -0.216 4.134 4.350 0.001 0.000 0.195 360 E C 1.706 178.269 176.600 -0.062 0.000 1.000 360 E CA 1.353 57.715 56.400 -0.064 0.000 0.803 360 E CB 0.089 29.766 29.700 -0.037 0.000 0.750 360 E HN 0.208 nan 8.360 nan 0.000 0.448 361 N N 0.025 118.704 118.700 -0.035 0.000 2.244 361 N HA -0.122 4.618 4.740 0.001 0.000 0.183 361 N C 1.809 177.328 175.510 0.014 0.000 1.016 361 N CA 1.224 54.297 53.050 0.038 0.000 0.866 361 N CB -0.186 38.376 38.487 0.124 0.000 0.980 361 N HN 0.311 nan 8.380 nan 0.000 0.430 362 M N 0.504 119.977 119.600 -0.212 0.000 2.099 362 M HA -0.131 4.349 4.480 0.001 0.000 0.262 362 M C 2.150 178.222 176.300 -0.380 0.000 1.067 362 M CA 1.349 56.303 55.300 -0.577 0.000 1.124 362 M CB -0.237 31.956 32.600 -0.678 0.000 1.353 362 M HN 0.166 nan 8.290 nan 0.000 0.410 363 E N 0.933 120.980 120.200 -0.256 0.000 2.106 363 E HA -0.243 4.107 4.350 0.001 0.000 0.192 363 E C 1.958 178.434 176.600 -0.206 0.000 0.984 363 E CA 1.203 57.468 56.400 -0.224 0.000 0.806 363 E CB -0.012 29.609 29.700 -0.132 0.000 0.750 363 E HN 0.374 nan 8.360 nan 0.000 0.458 364 K N 0.055 120.381 120.400 -0.123 0.000 2.283 364 K HA -0.072 4.249 4.320 0.001 0.000 0.202 364 K C 1.759 178.310 176.600 -0.081 0.000 1.048 364 K CA 0.957 57.198 56.287 -0.076 0.000 0.948 364 K CB -0.074 32.406 32.500 -0.033 0.000 0.742 364 K HN 0.155 nan 8.250 nan 0.000 0.458 365 A N 1.065 123.836 122.820 -0.080 0.000 2.119 365 A HA 0.102 4.422 4.320 0.001 0.000 0.216 365 A C 0.758 178.241 177.584 -0.167 0.000 1.152 365 A CA 0.153 52.166 52.037 -0.040 0.000 0.708 365 A CB -0.218 18.877 19.000 0.158 0.000 0.805 365 A HN 0.241 nan 8.150 nan 0.000 0.460 366 L N 2.226 123.240 121.223 -0.348 0.000 2.433 366 L HA 0.217 4.557 4.340 0.001 0.000 0.275 366 L C 0.440 177.092 176.870 -0.362 0.000 1.128 366 L CA -0.209 54.253 54.840 -0.631 0.000 0.875 366 L CB 0.490 41.689 42.059 -1.433 0.000 1.171 366 L HN 0.356 nan 8.230 nan 0.000 0.463 367 T N -0.145 114.366 114.554 -0.072 0.000 2.912 367 T HA 0.413 4.763 4.350 0.001 0.000 0.288 367 T C -2.076 172.827 174.700 0.339 0.000 1.030 367 T CA -2.135 60.053 62.100 0.146 0.000 1.020 367 T CB 2.060 70.960 68.868 0.054 0.000 1.056 367 T HN 0.193 nan 8.240 nan 0.000 0.480 368 P HA -0.083 nan 4.420 nan 0.000 0.218 368 P C 1.055 178.452 177.300 0.161 0.000 1.148 368 P CA 0.981 64.195 63.100 0.190 0.000 0.822 368 P CB 0.037 31.760 31.700 0.037 0.000 0.784 369 E N -0.946 119.322 120.200 0.113 0.000 2.209 369 E HA -0.134 4.217 4.350 0.001 0.000 0.196 369 E C 1.758 178.424 176.600 0.110 0.000 0.993 369 E CA 1.139 57.591 56.400 0.087 0.000 0.819 369 E CB -1.011 28.722 29.700 0.054 0.000 0.745 369 E HN 0.339 nan 8.360 nan 0.000 0.477 370 M N -0.304 119.384 119.600 0.146 0.000 2.686 370 M HA 0.025 4.505 4.480 0.001 0.000 0.246 370 M C 0.874 177.276 176.300 0.170 0.000 1.096 370 M CA 0.712 56.098 55.300 0.144 0.000 1.076 370 M CB 0.182 32.869 32.600 0.144 0.000 1.504 370 M HN 0.069 nan 8.290 nan 0.000 0.524 371 L N -1.089 120.239 121.223 0.175 0.000 2.640 371 L HA 0.252 4.592 4.340 0.001 0.000 0.230 371 L C 2.371 179.296 176.870 0.092 0.000 1.123 371 L CA -0.303 54.612 54.840 0.125 0.000 0.900 371 L CB -0.471 41.650 42.059 0.105 0.000 1.146 371 L HN 0.196 nan 8.230 nan 0.000 0.484 372 A N 0.257 123.142 122.820 0.109 0.000 1.933 372 A HA -0.159 4.161 4.320 0.001 0.000 0.218 372 A C 2.335 179.966 177.584 0.078 0.000 1.175 372 A CA 2.183 54.272 52.037 0.086 0.000 0.628 372 A CB -0.589 18.450 19.000 0.066 0.000 0.814 372 A HN 0.308 nan 8.150 nan 0.000 0.444 373 T N 0.390 115.004 114.554 0.100 0.000 2.746 373 T HA -0.123 4.227 4.350 0.001 0.000 0.267 373 T C 1.399 176.167 174.700 0.114 0.000 1.039 373 T CA 1.652 63.828 62.100 0.128 0.000 1.142 373 T CB -0.411 68.552 68.868 0.158 0.000 0.866 373 T HN 0.490 nan 8.240 nan 0.000 0.444 374 D N 0.806 121.256 120.400 0.082 0.000 2.219 374 D HA -0.009 4.631 4.640 0.001 0.000 0.205 374 D C 1.911 178.221 176.300 0.017 0.000 0.970 374 D CA 0.328 54.351 54.000 0.038 0.000 0.851 374 D CB -0.394 40.398 40.800 -0.013 0.000 0.943 374 D HN 0.199 nan 8.370 nan 0.000 0.488 375 L N 0.705 121.926 121.223 -0.003 0.000 2.093 375 L HA -0.014 4.326 4.340 0.001 0.000 0.208 375 L C 2.044 179.038 176.870 0.206 0.000 1.085 375 L CA 1.408 56.262 54.840 0.024 0.000 0.755 375 L CB -0.654 41.417 42.059 0.020 0.000 0.904 375 L HN -0.025 nan 8.230 nan 0.000 0.435 376 A N -0.575 122.337 122.820 0.153 0.000 1.873 376 A HA -0.141 4.179 4.320 0.001 0.000 0.215 376 A C 2.241 179.911 177.584 0.143 0.000 1.186 376 A CA 1.798 53.921 52.037 0.143 0.000 0.616 376 A CB -0.879 18.182 19.000 0.102 0.000 0.823 376 A HN 0.462 nan 8.150 nan 0.000 0.442 377 L N -1.768 119.534 121.223 0.132 0.000 2.127 377 L HA -0.226 4.115 4.340 0.001 0.000 0.211 377 L C 2.570 179.494 176.870 0.090 0.000 1.089 377 L CA 1.817 56.716 54.840 0.099 0.000 0.757 377 L CB -0.672 41.426 42.059 0.064 0.000 0.899 377 L HN 0.654 nan 8.230 nan 0.000 0.434 378 Y N 0.732 121.034 120.300 0.004 0.000 2.128 378 Y HA -0.283 4.267 4.550 0.000 0.000 0.284 378 Y C 2.306 178.208 175.900 0.002 0.000 1.154 378 Y CA 1.668 59.769 58.100 0.001 0.000 1.149 378 Y CB -0.173 38.299 38.460 0.021 0.000 0.976 378 Y HN 0.004 nan 8.280 nan 0.000 0.505 379 L N -1.089 120.195 121.223 0.103 0.000 2.056 379 L HA -0.202 4.138 4.340 0.001 0.000 0.207 379 L C 2.424 179.229 176.870 -0.110 0.000 1.078 379 L CA 1.063 55.854 54.840 -0.082 0.000 0.749 379 L CB -0.806 41.216 42.059 -0.062 0.000 0.901 379 L HN 0.133 nan 8.230 nan 0.000 0.433 380 V N 0.109 120.005 119.914 -0.029 0.000 2.392 380 V HA -0.295 3.826 4.120 0.001 0.000 0.249 380 V C 2.548 178.607 176.094 -0.059 0.000 1.059 380 V CA 1.759 64.053 62.300 -0.010 0.000 1.051 380 V CB -0.657 31.201 31.823 0.059 0.000 0.658 380 V HN 0.440 nan 8.190 nan 0.000 0.455 381 R N -0.080 120.359 120.500 -0.101 0.000 2.235 381 R HA -0.047 4.293 4.340 0.001 0.000 0.213 381 R C 1.715 177.917 176.300 -0.164 0.000 1.059 381 R CA 0.646 56.671 56.100 -0.124 0.000 0.997 381 R CB -0.159 30.061 30.300 -0.134 0.000 0.884 381 R HN 0.495 nan 8.270 nan 0.000 0.462 382 K N -0.356 119.915 120.400 -0.216 0.000 2.410 382 K HA 0.121 4.442 4.320 0.001 0.000 0.200 382 K C 0.665 177.187 176.600 -0.130 0.000 1.023 382 K CA 0.451 56.614 56.287 -0.206 0.000 1.149 382 K CB 1.072 33.392 32.500 -0.299 0.000 0.859 382 K HN 0.305 nan 8.250 nan 0.000 0.514 383 G N 0.928 109.669 108.800 -0.098 0.000 2.175 383 G HA2 -0.226 3.734 3.960 0.001 0.000 0.244 383 G HA3 -0.226 3.734 3.960 0.001 0.000 0.244 383 G C 0.160 175.029 174.900 -0.051 0.000 0.982 383 G CA -0.192 44.871 45.100 -0.063 0.000 0.641 383 G HN 0.113 nan 8.290 nan 0.000 0.527 384 V N 2.173 122.049 119.914 -0.064 0.000 2.555 384 V HA 0.388 4.508 4.120 0.001 0.000 0.286 384 V C -1.247 174.842 176.094 -0.008 0.000 1.044 384 V CA -1.172 61.098 62.300 -0.051 0.000 1.026 384 V CB 1.170 32.942 31.823 -0.085 0.000 0.981 384 V HN 0.134 nan 8.190 nan 0.000 0.480 385 P HA 0.018 nan 4.420 nan 0.000 0.267 385 P C 0.612 177.972 177.300 0.100 0.000 1.200 385 P CA -0.111 63.026 63.100 0.062 0.000 0.772 385 P CB 0.345 32.075 31.700 0.050 0.000 0.855 386 F N 3.817 123.770 119.950 0.005 0.000 2.048 386 F HA -0.335 4.193 4.527 0.000 0.000 0.296 386 F C 2.138 177.966 175.800 0.048 0.000 1.109 386 F CA 1.924 59.938 58.000 0.023 0.000 1.214 386 F CB -0.207 38.797 39.000 0.007 0.000 0.963 386 F HN 0.215 nan 8.300 nan 0.000 0.491 387 R N 0.073 120.529 120.500 -0.074 0.000 2.073 387 R HA -0.169 4.171 4.340 0.001 0.000 0.234 387 R C 2.142 178.374 176.300 -0.114 0.000 1.134 387 R CA 1.864 57.852 56.100 -0.186 0.000 0.952 387 R CB -0.892 29.413 30.300 0.008 0.000 0.850 387 R HN 0.402 nan 8.270 nan 0.000 0.433 388 Q N -0.217 119.552 119.800 -0.051 0.000 2.119 388 Q HA 0.007 4.347 4.340 0.001 0.000 0.201 388 Q C 1.972 177.939 176.000 -0.055 0.000 0.972 388 Q CA 1.754 57.533 55.803 -0.040 0.000 0.847 388 Q CB -0.344 28.375 28.738 -0.033 0.000 0.903 388 Q HN 0.353 nan 8.270 nan 0.000 0.433 389 A N -0.430 122.351 122.820 -0.065 0.000 1.898 389 A HA -0.232 4.089 4.320 0.001 0.000 0.216 389 A C 1.921 179.484 177.584 -0.035 0.000 1.181 389 A CA 1.807 53.815 52.037 -0.047 0.000 0.620 389 A CB -0.786 18.204 19.000 -0.017 0.000 0.819 389 A HN 0.542 nan 8.150 nan 0.000 0.442 390 H N -0.204 118.726 119.070 -0.233 0.000 2.321 390 H HA -0.089 4.468 4.556 0.000 0.000 0.300 390 H C 2.129 177.393 175.328 -0.106 0.000 1.087 390 H CA 2.426 58.337 56.048 -0.228 0.000 1.319 390 H CB -0.303 29.175 29.762 -0.475 0.000 1.379 390 H HN 0.367 nan 8.280 nan 0.000 0.501 391 T N 0.313 114.842 114.554 -0.042 0.000 2.708 391 T HA -0.163 4.187 4.350 0.001 0.000 0.266 391 T C 2.237 176.914 174.700 -0.038 0.000 1.037 391 T CA 1.388 63.462 62.100 -0.044 0.000 1.146 391 T CB -0.746 68.122 68.868 -0.000 0.000 0.865 391 T HN 0.563 nan 8.240 nan 0.000 0.435 392 A N 0.936 123.753 122.820 -0.005 0.000 1.902 392 A HA -0.102 4.219 4.320 0.001 0.000 0.217 392 A C 2.574 180.246 177.584 0.147 0.000 1.181 392 A CA 2.119 54.199 52.037 0.072 0.000 0.623 392 A CB -1.043 17.972 19.000 0.025 0.000 0.818 392 A HN 0.448 nan 8.150 nan 0.000 0.443 393 S N -0.750 115.006 115.700 0.094 0.000 2.383 393 S HA -0.011 4.459 4.470 0.001 0.000 0.227 393 S C 2.014 176.607 174.600 -0.012 0.000 1.026 393 S CA 1.576 59.826 58.200 0.084 0.000 0.981 393 S CB -0.618 62.602 63.200 0.034 0.000 0.818 393 S HN 0.699 nan 8.310 nan 0.000 0.472 394 G N 0.981 109.712 108.800 -0.116 0.000 2.422 394 G HA2 -0.167 3.793 3.960 0.001 0.000 0.218 394 G HA3 -0.167 3.793 3.960 0.001 0.000 0.218 394 G C 1.553 176.456 174.900 0.005 0.000 1.146 394 G CA 0.660 45.696 45.100 -0.105 0.000 0.769 394 G HN 0.513 nan 8.290 nan 0.000 0.547 395 K N 0.427 120.843 120.400 0.027 0.000 2.057 395 K HA 0.087 4.407 4.320 0.001 0.000 0.206 395 K C 2.944 179.602 176.600 0.098 0.000 1.050 395 K CA 0.909 57.242 56.287 0.077 0.000 0.935 395 K CB -0.176 32.368 32.500 0.073 0.000 0.715 395 K HN 0.263 nan 8.250 nan 0.000 0.439 396 A N 0.941 123.807 122.820 0.077 0.000 1.933 396 A HA -0.112 4.208 4.320 0.001 0.000 0.218 396 A C 2.330 179.916 177.584 0.003 0.000 1.175 396 A CA 1.270 53.321 52.037 0.023 0.000 0.628 396 A CB -0.592 18.391 19.000 -0.028 0.000 0.814 396 A HN 0.064 nan 8.150 nan 0.000 0.444 397 V N -0.253 119.675 119.914 0.024 0.000 2.295 397 V HA -0.286 3.834 4.120 0.001 0.000 0.246 397 V C 2.539 178.647 176.094 0.024 0.000 1.049 397 V CA 2.228 64.538 62.300 0.016 0.000 1.024 397 V CB -0.932 30.905 31.823 0.024 0.000 0.648 397 V HN 0.802 nan 8.190 nan 0.000 0.447 398 H N -0.512 118.545 119.070 -0.022 0.000 2.357 398 H HA -0.142 4.414 4.556 0.000 0.000 0.301 398 H C 2.262 177.578 175.328 -0.020 0.000 1.082 398 H CA 2.032 58.069 56.048 -0.017 0.000 1.342 398 H CB 0.078 29.833 29.762 -0.012 0.000 1.389 398 H HN 0.331 nan 8.280 nan 0.000 0.511 399 L N 1.394 122.592 121.223 -0.040 0.000 2.042 399 L HA -0.107 4.233 4.340 0.001 0.000 0.210 399 L C 2.672 179.462 176.870 -0.134 0.000 1.076 399 L CA 2.048 56.836 54.840 -0.087 0.000 0.749 399 L CB -1.214 40.838 42.059 -0.010 0.000 0.893 399 L HN 0.320 nan 8.230 nan 0.000 0.432 400 A N -0.908 121.844 122.820 -0.113 0.000 1.877 400 A HA -0.264 4.056 4.320 0.001 0.000 0.216 400 A C 2.322 179.829 177.584 -0.129 0.000 1.186 400 A CA 1.724 53.691 52.037 -0.116 0.000 0.620 400 A CB -0.792 18.142 19.000 -0.109 0.000 0.822 400 A HN 0.600 nan 8.150 nan 0.000 0.443 401 E N -0.413 119.699 120.200 -0.147 0.000 2.070 401 E HA -0.234 4.116 4.350 0.001 0.000 0.197 401 E C 2.153 178.648 176.600 -0.175 0.000 1.004 401 E CA 2.174 58.484 56.400 -0.149 0.000 0.805 401 E CB -0.200 29.405 29.700 -0.158 0.000 0.744 401 E HN 0.780 nan 8.360 nan 0.000 0.451 402 T N -1.473 112.923 114.554 -0.262 0.000 2.867 402 T HA -0.074 4.276 4.350 0.001 0.000 0.268 402 T C 1.651 176.277 174.700 -0.124 0.000 1.057 402 T CA 1.052 63.027 62.100 -0.208 0.000 1.136 402 T CB -0.134 68.581 68.868 -0.255 0.000 0.874 402 T HN 0.050 nan 8.240 nan 0.000 0.466 403 K N 0.851 121.182 120.400 -0.116 0.000 2.487 403 K HA 0.314 4.635 4.320 0.001 0.000 0.192 403 K C 1.387 177.941 176.600 -0.078 0.000 1.027 403 K CA 0.292 56.528 56.287 -0.085 0.000 1.054 403 K CB -0.148 32.303 32.500 -0.082 0.000 0.824 403 K HN 0.537 nan 8.250 nan 0.000 0.510 404 G N 2.611 111.361 108.800 -0.083 0.000 2.198 404 G HA2 -0.262 3.699 3.960 0.001 0.000 0.260 404 G HA3 -0.262 3.699 3.960 0.001 0.000 0.260 404 G C 0.117 174.976 174.900 -0.069 0.000 1.025 404 G CA 0.814 45.872 45.100 -0.069 0.000 0.769 404 G HN 0.473 nan 8.290 nan 0.000 0.507 405 I N -3.264 117.256 120.570 -0.083 0.000 3.108 405 I HA 0.896 5.066 4.170 0.001 0.000 0.312 405 I C 0.496 176.552 176.117 -0.102 0.000 1.095 405 I CA -0.689 60.557 61.300 -0.090 0.000 1.000 405 I CB 1.937 39.876 38.000 -0.102 0.000 1.229 405 I HN 0.180 nan 8.210 nan 0.000 0.454 406 T N -0.346 114.138 114.554 -0.116 0.000 2.899 406 T HA 0.379 4.729 4.350 0.001 0.000 0.284 406 T C 1.339 175.918 174.700 -0.201 0.000 1.004 406 T CA -0.507 61.516 62.100 -0.129 0.000 1.043 406 T CB 1.461 70.260 68.868 -0.115 0.000 1.013 406 T HN 0.746 nan 8.240 nan 0.000 0.518 407 I N 0.165 120.614 120.570 -0.202 0.000 2.454 407 I HA -0.138 4.032 4.170 0.001 0.000 0.254 407 I C 1.925 177.637 176.117 -0.675 0.000 1.156 407 I CA 1.304 62.433 61.300 -0.284 0.000 1.433 407 I CB -0.743 37.192 38.000 -0.108 0.000 1.082 407 I HN 0.687 nan 8.210 nan 0.000 0.432 408 N N 1.447 119.621 118.700 -0.877 0.000 2.515 408 N HA -0.124 4.617 4.740 0.001 0.000 0.185 408 N C 1.154 176.235 175.510 -0.715 0.000 1.109 408 N CA 0.624 52.823 53.050 -1.417 0.000 0.903 408 N CB -0.206 37.731 38.487 -0.918 0.000 0.969 408 N HN 0.405 nan 8.380 nan 0.000 0.450 409 K N 0.513 120.644 120.400 -0.449 0.000 2.358 409 K HA 0.303 4.623 4.320 0.001 0.000 0.197 409 K C 0.492 176.951 176.600 -0.235 0.000 1.025 409 K CA -0.339 55.780 56.287 -0.281 0.000 1.104 409 K CB 0.424 32.808 32.500 -0.194 0.000 0.855 409 K HN 0.221 nan 8.250 nan 0.000 0.531 410 L N 2.653 123.712 121.223 -0.274 0.000 2.490 410 L HA -0.012 4.329 4.340 0.001 0.000 0.274 410 L C 0.925 177.690 176.870 -0.176 0.000 1.201 410 L CA -0.082 54.638 54.840 -0.201 0.000 0.869 410 L CB 0.431 42.364 42.059 -0.210 0.000 1.123 410 L HN 0.092 nan 8.230 nan 0.000 0.484 411 S N 2.548 118.175 115.700 -0.121 0.000 2.593 411 S HA 0.082 4.552 4.470 0.001 0.000 0.269 411 S C 0.822 175.373 174.600 -0.081 0.000 1.334 411 S CA -0.756 57.390 58.200 -0.090 0.000 1.015 411 S CB 1.155 64.318 63.200 -0.061 0.000 0.912 411 S HN 0.568 nan 8.310 nan 0.000 0.541 412 L N 1.160 122.350 121.223 -0.055 0.000 2.083 412 L HA -0.025 4.316 4.340 0.001 0.000 0.209 412 L C 2.496 179.364 176.870 -0.003 0.000 1.083 412 L CA 2.135 56.957 54.840 -0.030 0.000 0.752 412 L CB -1.130 40.928 42.059 -0.002 0.000 0.899 412 L HN 1.023 nan 8.230 nan 0.000 0.433 413 E N -0.778 119.419 120.200 -0.006 0.000 2.051 413 E HA -0.250 4.100 4.350 0.001 0.000 0.192 413 E C 1.721 178.327 176.600 0.009 0.000 0.991 413 E CA 1.505 57.910 56.400 0.008 0.000 0.799 413 E CB -0.044 29.656 29.700 -0.000 0.000 0.748 413 E HN 0.562 nan 8.360 nan 0.000 0.449 414 D N 0.452 120.842 120.400 -0.017 0.000 2.123 414 D HA -0.177 4.463 4.640 0.001 0.000 0.196 414 D C 2.175 178.473 176.300 -0.004 0.000 0.992 414 D CA 0.938 54.926 54.000 -0.020 0.000 0.833 414 D CB -0.177 40.591 40.800 -0.053 0.000 0.954 414 D HN 0.276 nan 8.370 nan 0.000 0.455 415 L N 0.605 121.805 121.223 -0.038 0.000 2.083 415 L HA -0.146 4.194 4.340 0.001 0.000 0.209 415 L C 2.425 179.432 176.870 0.228 0.000 1.083 415 L CA 1.094 55.908 54.840 -0.043 0.000 0.752 415 L CB -0.218 41.657 42.059 -0.306 0.000 0.899 415 L HN -0.070 nan 8.230 nan 0.000 0.433 416 K N -0.182 120.319 120.400 0.168 0.000 2.211 416 K HA -0.117 4.203 4.320 0.001 0.000 0.203 416 K C 2.285 178.964 176.600 0.132 0.000 1.050 416 K CA 1.423 57.818 56.287 0.180 0.000 0.945 416 K CB -0.092 32.477 32.500 0.115 0.000 0.732 416 K HN 0.370 nan 8.250 nan 0.000 0.451 417 S N 0.587 116.346 115.700 0.098 0.000 2.447 417 S HA -0.082 4.389 4.470 0.001 0.000 0.233 417 S C 1.827 176.481 174.600 0.090 0.000 1.006 417 S CA 0.799 59.043 58.200 0.073 0.000 0.957 417 S CB -0.283 62.946 63.200 0.049 0.000 0.773 417 S HN 0.209 nan 8.310 nan 0.000 0.507 418 I N 0.146 120.803 120.570 0.145 0.000 2.628 418 I HA 0.178 4.348 4.170 0.001 0.000 0.255 418 I C 0.960 177.164 176.117 0.144 0.000 1.119 418 I CA 0.449 61.847 61.300 0.164 0.000 1.448 418 I CB 0.318 38.464 38.000 0.243 0.000 1.133 418 I HN 0.328 nan 8.210 nan 0.000 0.438 419 S N -0.569 115.243 115.700 0.187 0.000 2.592 419 S HA 0.336 4.807 4.470 0.001 0.000 0.275 419 S C -2.337 172.286 174.600 0.039 0.000 1.169 419 S CA -0.986 57.214 58.200 0.000 0.000 0.958 419 S CB 1.594 64.607 63.200 -0.311 0.000 1.095 419 S HN -0.225 nan 8.310 nan 0.000 0.471 420 P HA -0.008 nan 4.420 nan 0.000 0.226 420 P C 1.111 178.426 177.300 0.025 0.000 1.153 420 P CA 0.604 63.725 63.100 0.036 0.000 0.777 420 P CB 0.203 31.911 31.700 0.014 0.000 0.794 421 Q N -1.562 118.198 119.800 -0.066 0.000 2.436 421 Q HA 0.014 4.354 4.340 0.001 0.000 0.209 421 Q C 0.175 176.210 176.000 0.059 0.000 0.965 421 Q CA 0.586 56.342 55.803 -0.078 0.000 0.910 421 Q CB -0.320 28.302 28.738 -0.192 0.000 0.980 421 Q HN 0.315 nan 8.270 nan 0.000 0.491 422 F N 0.907 120.960 119.950 0.173 0.000 2.471 422 F HA 0.111 4.638 4.527 0.000 0.000 0.365 422 F C 0.863 176.750 175.800 0.144 0.000 1.095 422 F CA -0.175 57.945 58.000 0.201 0.000 1.174 422 F CB 0.639 39.678 39.000 0.065 0.000 1.105 422 F HN -0.291 nan 8.300 nan 0.000 0.535 423 S N 0.520 116.463 115.700 0.406 0.000 2.766 423 S HA 0.240 4.711 4.470 0.001 0.000 0.307 423 S C 1.120 175.813 174.600 0.154 0.000 1.121 423 S CA -0.208 58.135 58.200 0.237 0.000 0.980 423 S CB 1.538 64.870 63.200 0.218 0.000 1.159 423 S HN 0.648 nan 8.310 nan 0.000 0.546 424 S N 1.387 117.149 115.700 0.103 0.000 2.400 424 S HA -0.188 4.282 4.470 0.001 0.000 0.232 424 S C 1.204 175.836 174.600 0.053 0.000 1.025 424 S CA 1.710 59.945 58.200 0.059 0.000 0.993 424 S CB -0.796 62.432 63.200 0.046 0.000 0.808 424 S HN 0.828 nan 8.310 nan 0.000 0.478 425 D N 1.419 121.877 120.400 0.097 0.000 2.392 425 D HA -0.003 4.637 4.640 0.001 0.000 0.228 425 D C 1.599 177.929 176.300 0.050 0.000 1.003 425 D CA 0.438 54.498 54.000 0.100 0.000 0.917 425 D CB -0.601 40.291 40.800 0.152 0.000 0.890 425 D HN 0.393 nan 8.370 nan 0.000 0.532 426 V N 1.051 120.910 119.914 -0.092 0.000 2.913 426 V HA -0.235 3.885 4.120 0.001 0.000 0.260 426 V C 2.244 178.173 176.094 -0.274 0.000 1.098 426 V CA 2.012 64.019 62.300 -0.489 0.000 1.121 426 V CB -0.749 30.733 31.823 -0.568 0.000 0.714 426 V HN 0.427 nan 8.190 nan 0.000 0.487 427 S N -0.331 115.332 115.700 -0.062 0.000 2.400 427 S HA -0.335 4.135 4.470 0.001 0.000 0.232 427 S C 1.763 176.358 174.600 -0.010 0.000 1.025 427 S CA 1.784 60.015 58.200 0.052 0.000 0.993 427 S CB -0.599 62.621 63.200 0.034 0.000 0.808 427 S HN 0.782 nan 8.310 nan 0.000 0.478 428 Q N 0.537 120.295 119.800 -0.070 0.000 2.364 428 Q HA 0.039 4.380 4.340 0.001 0.000 0.207 428 Q C 2.147 178.041 176.000 -0.177 0.000 0.970 428 Q CA 1.064 56.820 55.803 -0.078 0.000 0.888 428 Q CB -0.453 28.269 28.738 -0.027 0.000 0.951 428 Q HN 0.504 nan 8.270 nan 0.000 0.469 429 V N 0.197 119.887 119.914 -0.373 0.000 2.427 429 V HA -0.187 3.934 4.120 0.001 0.000 0.248 429 V C 0.847 176.575 176.094 -0.610 0.000 1.051 429 V CA 1.343 63.302 62.300 -0.568 0.000 1.048 429 V CB -0.301 30.940 31.823 -0.970 0.000 0.666 429 V HN 0.281 nan 8.190 nan 0.000 0.456 430 F N 1.818 121.646 119.950 -0.202 0.000 2.640 430 F HA 0.366 4.893 4.527 0.000 0.000 0.354 430 F C 0.559 176.150 175.800 -0.348 0.000 1.213 430 F CA 0.021 57.848 58.000 -0.288 0.000 1.314 430 F CB -0.399 38.458 39.000 -0.239 0.000 1.679 430 F HN 0.111 nan 8.300 nan 0.000 0.622 431 N N 0.955 119.475 118.700 -0.299 0.000 2.503 431 N HA 0.130 4.870 4.740 0.001 0.000 0.287 431 N C -0.027 175.310 175.510 -0.289 0.000 1.096 431 N CA -0.483 52.406 53.050 -0.270 0.000 0.936 431 N CB 0.762 39.186 38.487 -0.105 0.000 1.570 431 N HN 0.175 nan 8.380 nan 0.000 0.504 432 F N 1.550 121.522 119.950 0.038 0.000 2.325 432 F HA -0.038 4.489 4.527 0.001 0.000 0.299 432 F C 2.199 178.021 175.800 0.037 0.000 1.090 432 F CA 0.474 58.494 58.000 0.034 0.000 1.392 432 F CB 0.311 39.322 39.000 0.020 0.000 1.053 432 F HN 0.304 nan 8.300 nan 0.000 0.521 433 V N 0.160 120.173 119.914 0.166 0.000 2.323 433 V HA -0.262 3.858 4.120 0.001 0.000 0.244 433 V C 2.052 178.199 176.094 0.088 0.000 1.041 433 V CA 1.768 64.139 62.300 0.117 0.000 1.025 433 V CB -0.623 31.249 31.823 0.081 0.000 0.656 433 V HN 0.286 nan 8.190 nan 0.000 0.451 434 N N 0.163 118.890 118.700 0.044 0.000 2.094 434 N HA -0.176 4.565 4.740 0.001 0.000 0.191 434 N C 2.144 177.676 175.510 0.038 0.000 1.023 434 N CA 1.840 54.901 53.050 0.018 0.000 0.857 434 N CB -0.609 37.862 38.487 -0.027 0.000 1.013 434 N HN 0.448 nan 8.380 nan 0.000 0.426 435 S N 0.424 116.162 115.700 0.063 0.000 2.351 435 S HA -0.125 4.345 4.470 0.001 0.000 0.220 435 S C 2.114 176.856 174.600 0.237 0.000 1.035 435 S CA 1.932 60.209 58.200 0.129 0.000 1.031 435 S CB -0.501 62.805 63.200 0.178 0.000 0.928 435 S HN 0.242 nan 8.310 nan 0.000 0.433 436 V N 0.019 120.076 119.914 0.238 0.000 2.759 436 V HA 0.059 4.179 4.120 0.001 0.000 0.256 436 V C 1.926 178.188 176.094 0.280 0.000 1.080 436 V CA 1.751 64.224 62.300 0.289 0.000 1.101 436 V CB -0.872 31.055 31.823 0.174 0.000 0.698 436 V HN 0.315 nan 8.190 nan 0.000 0.477 437 E N 0.700 120.992 120.200 0.154 0.000 2.516 437 E HA -0.095 4.256 4.350 0.001 0.000 0.199 437 E C 2.166 178.779 176.600 0.022 0.000 1.069 437 E CA 0.765 57.218 56.400 0.090 0.000 0.876 437 E CB -0.080 29.652 29.700 0.054 0.000 0.843 437 E HN 0.821 nan 8.360 nan 0.000 0.530 438 Q N -0.631 119.135 119.800 -0.057 0.000 2.230 438 Q HA -0.086 4.255 4.340 0.001 0.000 0.202 438 Q C 0.270 176.052 176.000 -0.363 0.000 0.963 438 Q CA 0.670 56.308 55.803 -0.274 0.000 0.866 438 Q CB -0.108 28.327 28.738 -0.506 0.000 0.931 438 Q HN 0.356 nan 8.270 nan 0.000 0.452 439 Y N 1.306 121.622 120.300 0.026 0.000 2.851 439 Y HA 0.019 4.569 4.550 0.001 0.000 0.369 439 Y C 1.477 177.387 175.900 0.017 0.000 1.226 439 Y CA 0.292 58.406 58.100 0.022 0.000 1.949 439 Y CB -0.599 37.877 38.460 0.026 0.000 2.059 439 Y HN 0.127 nan 8.280 nan 0.000 0.420 440 T N -2.753 111.836 114.554 0.059 0.000 3.067 440 T HA 0.197 4.547 4.350 0.001 0.000 0.261 440 T C 1.173 175.899 174.700 0.044 0.000 1.110 440 T CA 0.168 62.295 62.100 0.046 0.000 1.113 440 T CB -0.073 68.803 68.868 0.013 0.000 0.917 440 T HN 0.420 nan 8.240 nan 0.000 0.499 441 A N 2.165 125.013 122.820 0.048 0.000 2.540 441 A HA 0.429 4.749 4.320 0.001 0.000 0.239 441 A C 0.570 178.183 177.584 0.048 0.000 1.061 441 A CA -0.461 51.601 52.037 0.041 0.000 0.758 441 A CB -0.439 18.588 19.000 0.046 0.000 0.991 441 A HN 0.626 nan 8.150 nan 0.000 0.502 442 L N 1.384 122.624 121.223 0.029 0.000 2.678 442 L HA 0.053 4.394 4.340 0.001 0.000 0.285 442 L C 1.430 178.314 176.870 0.024 0.000 1.233 442 L CA 1.202 56.056 54.840 0.022 0.000 0.920 442 L CB -0.393 41.673 42.059 0.012 0.000 1.176 442 L HN 1.420 nan 8.230 nan 0.000 0.495 443 A N 2.063 124.895 122.820 0.019 0.000 3.410 443 A HA -0.123 4.197 4.320 0.001 0.000 0.253 443 A C 0.863 178.456 177.584 0.015 0.000 1.178 443 A CA 0.559 52.601 52.037 0.007 0.000 1.334 443 A CB -2.240 16.758 19.000 -0.004 0.000 1.097 443 A HN 0.919 nan 8.150 nan 0.000 0.921 444 G N -1.602 107.230 108.800 0.053 0.000 2.588 444 G HA2 0.433 4.394 3.960 0.001 0.000 0.278 444 G HA3 0.433 4.394 3.960 0.001 0.000 0.278 444 G C 0.786 175.722 174.900 0.059 0.000 1.307 444 G CA 0.885 46.033 45.100 0.081 0.000 1.016 444 G HN 0.878 nan 8.290 nan 0.000 0.503 445 T N -0.481 114.103 114.554 0.051 0.000 3.129 445 T HA 0.403 4.754 4.350 0.001 0.000 0.251 445 T C 1.293 176.055 174.700 0.104 0.000 1.117 445 T CA 0.619 62.744 62.100 0.042 0.000 1.034 445 T CB -0.827 68.023 68.868 -0.029 0.000 0.968 445 T HN 0.799 nan 8.240 nan 0.000 0.526 446 A N 1.075 123.987 122.820 0.153 0.000 2.466 446 A HA 0.288 4.608 4.320 0.001 0.000 0.238 446 A C 1.605 179.237 177.584 0.080 0.000 1.074 446 A CA -0.047 52.065 52.037 0.125 0.000 0.774 446 A CB 0.142 19.209 19.000 0.111 0.000 1.015 446 A HN 0.521 nan 8.150 nan 0.000 0.498 447 K N 0.828 121.269 120.400 0.068 0.000 2.063 447 K HA -0.192 4.128 4.320 0.001 0.000 0.208 447 K C 2.135 178.760 176.600 0.042 0.000 1.048 447 K CA 2.186 58.505 56.287 0.053 0.000 0.928 447 K CB -0.240 32.290 32.500 0.050 0.000 0.713 447 K HN 0.874 nan 8.250 nan 0.000 0.442 448 S N -0.206 115.518 115.700 0.039 0.000 2.382 448 S HA -0.162 4.309 4.470 0.001 0.000 0.228 448 S C 2.150 176.767 174.600 0.028 0.000 1.027 448 S CA 1.645 59.863 58.200 0.030 0.000 0.991 448 S CB -0.455 62.761 63.200 0.026 0.000 0.823 448 S HN 0.377 nan 8.310 nan 0.000 0.469 449 S N 0.835 116.556 115.700 0.036 0.000 2.368 449 S HA -0.027 4.443 4.470 0.001 0.000 0.224 449 S C 1.860 176.473 174.600 0.022 0.000 1.029 449 S CA 1.194 59.413 58.200 0.032 0.000 0.988 449 S CB -0.664 62.566 63.200 0.049 0.000 0.838 449 S HN 0.421 nan 8.310 nan 0.000 0.462 450 V N 1.541 121.470 119.914 0.025 0.000 2.407 450 V HA -0.126 3.995 4.120 0.001 0.000 0.248 450 V C 2.664 178.764 176.094 0.010 0.000 1.055 450 V CA 2.244 64.552 62.300 0.013 0.000 1.049 450 V CB -1.326 30.511 31.823 0.022 0.000 0.662 450 V HN 0.550 nan 8.190 nan 0.000 0.455 451 T N -0.577 113.987 114.554 0.017 0.000 2.746 451 T HA -0.191 4.159 4.350 0.001 0.000 0.267 451 T C 1.979 176.684 174.700 0.008 0.000 1.039 451 T CA 2.085 64.194 62.100 0.014 0.000 1.142 451 T CB -0.342 68.537 68.868 0.018 0.000 0.866 451 T HN 0.523 nan 8.240 nan 0.000 0.444 452 T N 2.122 116.681 114.554 0.008 0.000 2.788 452 T HA -0.106 4.244 4.350 0.001 0.000 0.268 452 T C 2.151 176.850 174.700 -0.002 0.000 1.044 452 T CA 1.112 63.215 62.100 0.004 0.000 1.139 452 T CB -0.244 68.628 68.868 0.007 0.000 0.867 452 T HN 0.472 nan 8.240 nan 0.000 0.454 453 Q N 0.140 119.936 119.800 -0.006 0.000 2.084 453 Q HA -0.017 4.324 4.340 0.001 0.000 0.202 453 Q C 2.342 178.332 176.000 -0.018 0.000 0.978 453 Q CA 1.217 57.010 55.803 -0.016 0.000 0.844 453 Q CB -0.344 28.378 28.738 -0.026 0.000 0.898 453 Q HN 0.516 nan 8.270 nan 0.000 0.426 454 I N 0.799 121.361 120.570 -0.013 0.000 2.208 454 I HA -0.300 3.870 4.170 0.001 0.000 0.245 454 I C 2.021 178.133 176.117 -0.008 0.000 1.097 454 I CA 1.347 62.639 61.300 -0.012 0.000 1.363 454 I CB -0.205 37.793 38.000 -0.004 0.000 1.051 454 I HN 0.239 nan 8.210 nan 0.000 0.413 455 E N 0.396 120.594 120.200 -0.004 0.000 2.051 455 E HA -0.275 4.075 4.350 0.001 0.000 0.192 455 E C 2.239 178.836 176.600 -0.005 0.000 0.991 455 E CA 1.238 57.637 56.400 -0.002 0.000 0.799 455 E CB -0.123 29.577 29.700 0.000 0.000 0.748 455 E HN 0.548 nan 8.360 nan 0.000 0.449 456 Q N 0.012 119.807 119.800 -0.007 0.000 2.124 456 Q HA -0.162 4.179 4.340 0.001 0.000 0.202 456 Q C 2.057 178.050 176.000 -0.012 0.000 0.977 456 Q CA 0.773 56.571 55.803 -0.009 0.000 0.850 456 Q CB 0.024 28.755 28.738 -0.011 0.000 0.901 456 Q HN 0.157 nan 8.270 nan 0.000 0.429 457 L N 0.521 121.734 121.223 -0.015 0.000 2.044 457 L HA -0.134 4.206 4.340 0.001 0.000 0.205 457 L C 2.427 179.290 176.870 -0.011 0.000 1.075 457 L CA 1.745 56.574 54.840 -0.018 0.000 0.747 457 L CB -0.825 41.218 42.059 -0.026 0.000 0.903 457 L HN 0.131 nan 8.230 nan 0.000 0.435 458 R N 0.028 120.523 120.500 -0.009 0.000 2.096 458 R HA -0.239 4.101 4.340 0.001 0.000 0.240 458 R C 2.184 178.481 176.300 -0.004 0.000 1.139 458 R CA 1.867 57.964 56.100 -0.005 0.000 0.952 458 R CB -0.369 29.930 30.300 -0.002 0.000 0.854 458 R HN 0.249 nan 8.270 nan 0.000 0.436 459 E N 0.305 120.502 120.200 -0.004 0.000 2.077 459 E HA -0.125 4.225 4.350 0.001 0.000 0.193 459 E C 1.920 178.517 176.600 -0.004 0.000 0.989 459 E CA 1.396 57.794 56.400 -0.004 0.000 0.800 459 E CB -0.283 29.415 29.700 -0.004 0.000 0.746 459 E HN 0.469 nan 8.360 nan 0.000 0.452 460 L N -0.421 120.798 121.223 -0.006 0.000 2.027 460 L HA -0.147 4.193 4.340 0.001 0.000 0.206 460 L C 2.499 179.367 176.870 -0.004 0.000 1.074 460 L CA 1.243 56.080 54.840 -0.005 0.000 0.745 460 L CB -0.228 41.827 42.059 -0.007 0.000 0.898 460 L HN 0.305 nan 8.230 nan 0.000 0.433 461 M N -0.871 118.727 119.600 -0.004 0.000 2.159 461 M HA -0.212 4.268 4.480 0.001 0.000 0.263 461 M C 2.174 178.472 176.300 -0.003 0.000 1.063 461 M CA 1.477 56.776 55.300 -0.002 0.000 1.110 461 M CB -0.242 32.358 32.600 -0.001 0.000 1.374 461 M HN 0.088 nan 8.290 nan 0.000 0.411 462 K N 0.690 121.088 120.400 -0.003 0.000 2.057 462 K HA -0.091 4.229 4.320 0.001 0.000 0.206 462 K C 2.360 178.957 176.600 -0.006 0.000 1.050 462 K CA 1.854 58.139 56.287 -0.004 0.000 0.935 462 K CB -1.096 31.402 32.500 -0.003 0.000 0.715 462 K HN 0.370 nan 8.250 nan 0.000 0.439 463 K N 1.803 122.199 120.400 -0.005 0.000 2.057 463 K HA -0.161 4.160 4.320 0.001 0.000 0.207 463 K C 2.178 178.773 176.600 -0.008 0.000 1.049 463 K CA 1.723 58.006 56.287 -0.006 0.000 0.931 463 K CB -0.792 31.705 32.500 -0.005 0.000 0.714 463 K HN 0.431 nan 8.250 nan 0.000 0.440 464 Q N -0.744 119.052 119.800 -0.007 0.000 2.172 464 Q HA -0.092 4.248 4.340 0.001 0.000 0.200 464 Q C 2.359 178.351 176.000 -0.013 0.000 0.964 464 Q CA 1.548 57.346 55.803 -0.009 0.000 0.855 464 Q CB -0.010 28.727 28.738 -0.003 0.000 0.918 464 Q HN 0.611 nan 8.270 nan 0.000 0.444 465 K N 1.269 121.662 120.400 -0.012 0.000 2.025 465 K HA -0.183 4.137 4.320 0.001 0.000 0.207 465 K C 2.200 178.789 176.600 -0.019 0.000 1.049 465 K CA 1.819 58.097 56.287 -0.016 0.000 0.933 465 K CB -0.122 32.371 32.500 -0.012 0.000 0.714 465 K HN 0.199 nan 8.250 nan 0.000 0.438 466 E N 0.799 120.989 120.200 -0.015 0.000 2.204 466 E HA -0.237 4.114 4.350 0.001 0.000 0.194 466 E C 1.734 178.323 176.600 -0.019 0.000 0.989 466 E CA 1.576 57.967 56.400 -0.016 0.000 0.824 466 E CB -0.777 28.916 29.700 -0.012 0.000 0.756 466 E HN 0.727 nan 8.360 nan 0.000 0.477 467 Q N -0.227 119.562 119.800 -0.019 0.000 2.302 467 Q HA 0.379 4.720 4.340 0.001 0.000 0.202 467 Q C 1.514 177.496 176.000 -0.030 0.000 0.936 467 Q CA 0.776 56.566 55.803 -0.022 0.000 0.886 467 Q CB 0.055 28.782 28.738 -0.019 0.000 0.986 467 Q HN 0.522 nan 8.270 nan 0.000 0.487 468 A N 0.000 122.800 122.820 -0.033 0.000 2.254 468 A HA 0.000 4.320 4.320 0.001 0.000 0.244 468 A CA 0.000 52.011 52.037 -0.044 0.000 0.836 468 A CB 0.000 18.973 19.000 -0.046 0.000 0.831 468 A HN 0.000 nan 8.150 nan 0.000 0.486