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 3ooy_1_B DATA FIRST_RESID 8 DATA SEQUENCE SMQKLQALKD TANRLRISSI QATTAAGSGH PTSCCSAAEI MAVLFFHTMR DATA SEQUENCE YKSQDPRNPH NDRFVLSKGH AAPILYAVWA EAGFLAEAEL LNLRKISSDL DATA SEQUENCE DGHPVPKQAF TDVATGSLGQ GLGAACGMAY TGKYFDKASY RVYCLLGDGE DATA SEQUENCE LSEGSVWEAM AFASIYKLDN LVAILDINRL GQSDPAPLQH QMDIYQKRCE DATA SEQUENCE AFGWHAIIVD GHSVEELCKA FGQAKHQPTA IIAKTFKGRG ITGVEDKESW DATA SEQUENCE HGKPLPKNMA EQIIQEIYSQ IQSKKKILAT PPQEDAPSVD IANIRMPSLP DATA SEQUENCE SYKVGDKIAT RKAYGQALAK LGHASDRIIA LDGDTKNSTF SEIFKKEHPD DATA SEQUENCE RFIECYIAEQ NMVSIAVGCA TRNRTVPFCS TFAAFFTRAF DQIRMAAISE DATA SEQUENCE SNINLCGSHC GVSIGEDGPS QMALEDLAMF RSVPTSTVFY PSDGVATEKA DATA SEQUENCE VELAANTKGI CFIRTSRPEN AIIYNNNEDF QVGQAKVVLK SKDDQVTVIG DATA SEQUENCE AGVTLHEALA AAELLKKEKI NIRVLDPFTI KPLDRKLILD SARATKGRIL DATA SEQUENCE TVEDHYYEGG IGEAVSSAVV GEPGITVTHL AVNRVPRSGK PAELLKMFGI DATA SEQUENCE DRDAIAQAVR GLI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 8 S HA 0.000 nan 4.470 nan 0.000 0.327 8 S C 0.000 174.608 174.600 0.013 0.000 1.055 8 S CA 0.000 58.214 58.200 0.024 0.000 1.107 8 S CB 0.000 63.222 63.200 0.036 0.000 0.593 9 M N 0.839 120.442 119.600 0.005 0.000 2.334 9 M HA 0.418 4.897 4.480 -0.001 0.000 0.266 9 M C 2.670 178.966 176.300 -0.007 0.000 1.082 9 M CA 2.201 57.499 55.300 -0.002 0.000 1.141 9 M CB -2.251 30.346 32.600 -0.004 0.000 1.380 9 M HN 0.989 nan 8.290 nan 0.000 0.440 10 Q N 0.914 120.711 119.800 -0.005 0.000 2.084 10 Q HA -0.206 4.133 4.340 -0.001 0.000 0.202 10 Q C 2.166 178.161 176.000 -0.008 0.000 0.978 10 Q CA 2.550 58.347 55.803 -0.010 0.000 0.844 10 Q CB -0.903 27.830 28.738 -0.008 0.000 0.898 10 Q HN 0.856 nan 8.270 nan 0.000 0.426 11 K N 0.251 120.654 120.400 0.005 0.000 2.026 11 K HA 0.021 4.340 4.320 -0.001 0.000 0.208 11 K C 1.996 178.598 176.600 0.003 0.000 1.048 11 K CA 1.535 57.833 56.287 0.018 0.000 0.929 11 K CB -0.567 31.964 32.500 0.050 0.000 0.713 11 K HN 0.517 nan 8.250 nan 0.000 0.439 12 L N 0.381 121.599 121.223 -0.008 0.000 2.012 12 L HA -0.226 4.114 4.340 -0.001 0.000 0.210 12 L C 2.697 179.552 176.870 -0.024 0.000 1.073 12 L CA 1.667 56.493 54.840 -0.023 0.000 0.748 12 L CB -0.531 41.514 42.059 -0.022 0.000 0.891 12 L HN 0.335 nan 8.230 nan 0.000 0.431 13 Q N 0.049 119.834 119.800 -0.025 0.000 2.119 13 Q HA -0.143 4.196 4.340 -0.001 0.000 0.201 13 Q C 2.143 178.115 176.000 -0.046 0.000 0.972 13 Q CA 1.912 57.694 55.803 -0.035 0.000 0.847 13 Q CB -0.236 28.481 28.738 -0.036 0.000 0.903 13 Q HN 0.439 nan 8.270 nan 0.000 0.433 14 A N -0.100 122.694 122.820 -0.043 0.000 1.972 14 A HA -0.106 4.214 4.320 -0.001 0.000 0.219 14 A C 2.071 179.615 177.584 -0.068 0.000 1.169 14 A CA 1.228 53.228 52.037 -0.061 0.000 0.635 14 A CB -0.650 18.320 19.000 -0.050 0.000 0.810 14 A HN 0.446 nan 8.150 nan 0.000 0.446 15 L N -0.715 120.486 121.223 -0.036 0.000 2.056 15 L HA -0.189 4.150 4.340 -0.001 0.000 0.207 15 L C 2.562 179.413 176.870 -0.031 0.000 1.078 15 L CA 1.612 56.440 54.840 -0.021 0.000 0.749 15 L CB -0.370 41.690 42.059 0.000 0.000 0.901 15 L HN 0.343 nan 8.230 nan 0.000 0.433 16 K N -0.192 120.188 120.400 -0.033 0.000 2.057 16 K HA -0.170 4.150 4.320 -0.001 0.000 0.207 16 K C 1.697 178.263 176.600 -0.057 0.000 1.049 16 K CA 1.492 57.759 56.287 -0.034 0.000 0.931 16 K CB -0.207 32.273 32.500 -0.033 0.000 0.714 16 K HN 0.277 nan 8.250 nan 0.000 0.440 17 D N 0.237 120.591 120.400 -0.077 0.000 2.117 17 D HA -0.106 4.533 4.640 -0.001 0.000 0.197 17 D C 1.905 178.138 176.300 -0.113 0.000 0.987 17 D CA 1.314 55.252 54.000 -0.103 0.000 0.829 17 D CB -0.449 40.280 40.800 -0.118 0.000 0.961 17 D HN 0.138 nan 8.370 nan 0.000 0.460 18 T N 1.009 115.486 114.554 -0.129 0.000 2.708 18 T HA -0.132 4.217 4.350 -0.001 0.000 0.266 18 T C 2.075 176.713 174.700 -0.103 0.000 1.037 18 T CA 1.621 63.619 62.100 -0.171 0.000 1.146 18 T CB -0.407 68.310 68.868 -0.252 0.000 0.865 18 T HN 0.201 nan 8.240 nan 0.000 0.435 19 A N 2.638 125.425 122.820 -0.055 0.000 1.903 19 A HA -0.241 4.078 4.320 -0.001 0.000 0.219 19 A C 2.272 179.837 177.584 -0.032 0.000 1.191 19 A CA 1.872 53.896 52.037 -0.021 0.000 0.638 19 A CB -0.720 18.283 19.000 0.006 0.000 0.823 19 A HN 0.420 nan 8.150 nan 0.000 0.451 20 N N -0.720 117.953 118.700 -0.046 0.000 2.216 20 N HA -0.077 4.662 4.740 -0.001 0.000 0.183 20 N C 1.851 177.343 175.510 -0.030 0.000 1.017 20 N CA 1.010 54.036 53.050 -0.041 0.000 0.861 20 N CB -0.408 38.047 38.487 -0.053 0.000 0.986 20 N HN 0.512 nan 8.380 nan 0.000 0.428 21 R N 0.723 121.194 120.500 -0.048 0.000 2.091 21 R HA -0.022 4.318 4.340 -0.001 0.000 0.238 21 R C 2.234 178.518 176.300 -0.027 0.000 1.136 21 R CA 0.849 56.931 56.100 -0.030 0.000 0.959 21 R CB -0.362 29.899 30.300 -0.066 0.000 0.856 21 R HN 0.219 nan 8.270 nan 0.000 0.437 22 L N 0.085 121.282 121.223 -0.044 0.000 2.083 22 L HA -0.191 4.148 4.340 -0.001 0.000 0.209 22 L C 2.558 179.415 176.870 -0.021 0.000 1.083 22 L CA 1.412 56.229 54.840 -0.038 0.000 0.752 22 L CB -0.405 41.626 42.059 -0.047 0.000 0.899 22 L HN 0.191 nan 8.230 nan 0.000 0.433 23 R N 0.130 120.620 120.500 -0.015 0.000 2.073 23 R HA -0.146 4.193 4.340 -0.001 0.000 0.234 23 R C 2.285 178.583 176.300 -0.003 0.000 1.134 23 R CA 1.390 57.484 56.100 -0.010 0.000 0.952 23 R CB -0.464 29.826 30.300 -0.016 0.000 0.850 23 R HN 0.316 nan 8.270 nan 0.000 0.433 24 I N 0.265 120.838 120.570 0.006 0.000 2.127 24 I HA -0.327 3.843 4.170 -0.001 0.000 0.241 24 I C 2.704 178.829 176.117 0.013 0.000 1.075 24 I CA 1.403 62.714 61.300 0.018 0.000 1.334 24 I CB -0.380 37.651 38.000 0.051 0.000 1.040 24 I HN 0.196 nan 8.210 nan 0.000 0.405 25 S N 0.116 115.824 115.700 0.013 0.000 2.368 25 S HA -0.195 4.274 4.470 -0.001 0.000 0.225 25 S C 2.229 176.842 174.600 0.021 0.000 1.030 25 S CA 2.040 60.251 58.200 0.017 0.000 0.999 25 S CB -0.194 63.016 63.200 0.015 0.000 0.844 25 S HN 0.407 nan 8.310 nan 0.000 0.459 26 S N 1.214 116.921 115.700 0.011 0.000 2.370 26 S HA -0.065 4.405 4.470 -0.001 0.000 0.226 26 S C 1.721 176.333 174.600 0.020 0.000 1.033 26 S CA 1.650 59.858 58.200 0.012 0.000 1.011 26 S CB -0.469 62.731 63.200 -0.001 0.000 0.852 26 S HN 0.539 nan 8.310 nan 0.000 0.457 27 I N 1.392 121.969 120.570 0.013 0.000 2.163 27 I HA -0.221 3.948 4.170 -0.001 0.000 0.240 27 I C 2.711 178.837 176.117 0.016 0.000 1.081 27 I CA 1.199 62.507 61.300 0.012 0.000 1.353 27 I CB -0.419 37.581 38.000 -0.001 0.000 1.054 27 I HN 0.284 nan 8.210 nan 0.000 0.407 28 Q N 0.643 120.451 119.800 0.014 0.000 2.061 28 Q HA -0.236 4.103 4.340 -0.001 0.000 0.204 28 Q C 2.445 178.460 176.000 0.025 0.000 0.984 28 Q CA 1.992 57.803 55.803 0.013 0.000 0.846 28 Q CB -0.400 28.343 28.738 0.008 0.000 0.902 28 Q HN 0.598 nan 8.270 nan 0.000 0.421 29 A N 0.874 123.717 122.820 0.038 0.000 1.902 29 A HA -0.198 4.122 4.320 -0.001 0.000 0.217 29 A C 2.332 179.947 177.584 0.053 0.000 1.181 29 A CA 1.989 54.059 52.037 0.055 0.000 0.623 29 A CB -1.024 18.027 19.000 0.086 0.000 0.818 29 A HN 0.558 nan 8.150 nan 0.000 0.443 30 T N -3.640 110.942 114.554 0.046 0.000 2.857 30 T HA -0.091 4.259 4.350 -0.001 0.000 0.266 30 T C 1.802 176.521 174.700 0.031 0.000 1.048 30 T CA 1.843 63.967 62.100 0.040 0.000 1.139 30 T CB -0.872 68.016 68.868 0.034 0.000 0.874 30 T HN 0.285 nan 8.240 nan 0.000 0.455 31 T N 2.064 116.636 114.554 0.030 0.000 2.788 31 T HA 0.116 4.466 4.350 -0.001 0.000 0.268 31 T C 2.429 177.143 174.700 0.022 0.000 1.044 31 T CA 1.201 63.317 62.100 0.027 0.000 1.139 31 T CB -0.712 68.170 68.868 0.023 0.000 0.867 31 T HN 0.593 nan 8.240 nan 0.000 0.454 32 A N 1.225 124.059 122.820 0.023 0.000 1.930 32 A HA 0.227 4.547 4.320 -0.001 0.000 0.217 32 A C 2.567 180.166 177.584 0.024 0.000 1.175 32 A CA 1.658 53.708 52.037 0.021 0.000 0.627 32 A CB -0.889 18.125 19.000 0.023 0.000 0.815 32 A HN 0.496 nan 8.150 nan 0.000 0.443 33 A N -1.861 120.978 122.820 0.031 0.000 2.014 33 A HA 0.346 4.666 4.320 -0.001 0.000 0.218 33 A C 2.095 179.694 177.584 0.024 0.000 1.163 33 A CA 1.538 53.595 52.037 0.033 0.000 0.652 33 A CB -0.953 18.075 19.000 0.047 0.000 0.808 33 A HN 1.902 nan 8.150 nan 0.000 0.449 34 G N -1.248 107.563 108.800 0.019 0.000 2.162 34 G HA2 -0.151 3.808 3.960 -0.001 0.000 0.260 34 G HA3 -0.151 3.808 3.960 -0.001 0.000 0.260 34 G C 0.333 175.233 174.900 -0.000 0.000 0.976 34 G CA 1.116 46.222 45.100 0.010 0.000 0.655 34 G HN 2.017 nan 8.290 nan 0.000 0.533 35 S N -2.072 113.628 115.700 -0.000 0.000 2.636 35 S HA 1.002 5.471 4.470 -0.001 0.000 0.268 35 S C 0.263 174.844 174.600 -0.032 0.000 1.159 35 S CA 0.544 58.727 58.200 -0.028 0.000 0.815 35 S CB 1.883 65.078 63.200 -0.008 0.000 1.130 35 S HN 2.527 nan 8.310 nan 0.000 0.471 36 G N 0.349 109.080 108.800 -0.114 0.000 2.422 36 G HA2 0.266 4.225 3.960 -0.001 0.000 0.607 36 G HA3 0.266 4.225 3.960 -0.001 0.000 0.607 36 G C -1.486 173.244 174.900 -0.282 0.000 1.270 36 G CA -0.461 44.605 45.100 -0.056 0.000 0.992 36 G HN 1.357 nan 8.290 nan 0.000 0.499 37 H N 1.116 120.165 119.070 -0.035 0.000 2.379 37 H HA 0.417 4.973 4.556 -0.001 0.000 0.229 37 H C -1.572 173.744 175.328 -0.020 0.000 1.423 37 H CA -0.811 55.204 56.048 -0.056 0.000 1.375 37 H CB 1.278 31.010 29.762 -0.051 0.000 1.592 37 H HN 0.328 nan 8.280 nan 0.000 0.507 38 P HA -0.177 nan 4.420 nan 0.000 0.218 38 P C 1.594 178.929 177.300 0.060 0.000 1.149 38 P CA 1.406 64.539 63.100 0.055 0.000 0.817 38 P CB 0.269 31.993 31.700 0.041 0.000 0.785 39 T N -3.295 111.311 114.554 0.087 0.000 2.915 39 T HA -0.024 4.326 4.350 -0.001 0.000 0.269 39 T C 1.968 176.742 174.700 0.123 0.000 1.071 39 T CA 1.264 63.422 62.100 0.097 0.000 1.132 39 T CB -1.138 67.814 68.868 0.141 0.000 0.878 39 T HN -0.010 nan 8.240 nan 0.000 0.479 40 S N 0.379 116.161 115.700 0.136 0.000 2.436 40 S HA 0.011 4.481 4.470 -0.001 0.000 0.228 40 S C 2.242 176.867 174.600 0.042 0.000 1.014 40 S CA 0.676 58.952 58.200 0.127 0.000 0.950 40 S CB -0.596 62.708 63.200 0.174 0.000 0.784 40 S HN 0.680 nan 8.310 nan 0.000 0.504 41 C N 0.531 119.850 119.300 0.030 0.000 2.486 41 C HA 0.019 4.478 4.460 -0.001 0.000 0.279 41 C C 2.828 177.837 174.990 0.032 0.000 1.302 41 C CA -0.223 58.797 59.018 0.002 0.000 1.720 41 C CB -1.361 26.372 27.740 -0.011 0.000 2.030 41 C HN 0.636 nan 8.230 nan 0.000 0.490 42 C N 1.721 121.050 119.300 0.048 0.000 2.435 42 C HA -0.071 4.388 4.460 -0.001 0.000 0.279 42 C C 3.064 178.125 174.990 0.119 0.000 1.321 42 C CA 1.668 60.718 59.018 0.053 0.000 1.752 42 C CB -1.420 26.334 27.740 0.024 0.000 1.959 42 C HN 0.820 nan 8.230 nan 0.000 0.500 43 S N 1.432 117.227 115.700 0.159 0.000 2.419 43 S HA -0.037 4.432 4.470 -0.001 0.000 0.233 43 S C 1.603 176.336 174.600 0.221 0.000 1.016 43 S CA 1.324 59.678 58.200 0.257 0.000 0.974 43 S CB -0.339 62.968 63.200 0.179 0.000 0.786 43 S HN 0.623 nan 8.310 nan 0.000 0.492 44 A N 0.409 123.306 122.820 0.129 0.000 2.345 44 A HA 0.801 5.120 4.320 -0.001 0.000 0.225 44 A C 2.020 179.661 177.584 0.096 0.000 1.243 44 A CA 0.469 52.563 52.037 0.095 0.000 0.875 44 A CB -0.668 18.370 19.000 0.063 0.000 0.929 44 A HN 0.647 nan 8.150 nan 0.000 0.502 45 A N 0.434 123.322 122.820 0.113 0.000 1.898 45 A HA -0.100 4.220 4.320 -0.001 0.000 0.216 45 A C 1.834 179.466 177.584 0.080 0.000 1.181 45 A CA 1.848 53.926 52.037 0.068 0.000 0.620 45 A CB -0.307 18.720 19.000 0.044 0.000 0.819 45 A HN 0.437 nan 8.150 nan 0.000 0.442 46 E N -0.092 120.187 120.200 0.131 0.000 2.107 46 E HA -0.035 4.314 4.350 -0.001 0.000 0.191 46 E C 1.751 178.418 176.600 0.112 0.000 0.982 46 E CA 0.771 57.240 56.400 0.116 0.000 0.809 46 E CB -0.319 29.471 29.700 0.149 0.000 0.756 46 E HN 0.685 nan 8.360 nan 0.000 0.459 47 I N 0.166 120.806 120.570 0.116 0.000 2.163 47 I HA -0.300 3.869 4.170 -0.001 0.000 0.243 47 I C 2.082 178.262 176.117 0.104 0.000 1.085 47 I CA 0.932 62.319 61.300 0.145 0.000 1.347 47 I CB -0.206 37.877 38.000 0.139 0.000 1.044 47 I HN 0.187 nan 8.210 nan 0.000 0.408 48 M N 0.149 119.789 119.600 0.067 0.000 2.117 48 M HA -0.170 4.309 4.480 -0.001 0.000 0.262 48 M C 2.594 178.945 176.300 0.086 0.000 1.065 48 M CA 1.968 57.282 55.300 0.023 0.000 1.114 48 M CB -1.385 31.184 32.600 -0.053 0.000 1.361 48 M HN 0.331 nan 8.290 nan 0.000 0.408 49 A N -0.046 122.835 122.820 0.103 0.000 1.877 49 A HA -0.087 4.232 4.320 -0.001 0.000 0.216 49 A C 2.410 180.105 177.584 0.184 0.000 1.186 49 A CA 1.834 53.983 52.037 0.186 0.000 0.620 49 A CB -1.000 18.057 19.000 0.094 0.000 0.822 49 A HN 0.295 nan 8.150 nan 0.000 0.443 50 V N -0.020 119.948 119.914 0.090 0.000 2.490 50 V HA -0.227 3.892 4.120 -0.001 0.000 0.250 50 V C 2.529 178.533 176.094 -0.150 0.000 1.061 50 V CA 1.777 64.099 62.300 0.036 0.000 1.064 50 V CB -0.713 31.168 31.823 0.097 0.000 0.670 50 V HN 0.531 nan 8.190 nan 0.000 0.461 51 L N -1.503 119.558 121.223 -0.271 0.000 2.005 51 L HA -0.094 4.246 4.340 -0.001 0.000 0.207 51 L C 2.277 178.762 176.870 -0.643 0.000 1.072 51 L CA 1.801 56.260 54.840 -0.634 0.000 0.744 51 L CB -0.427 41.243 42.059 -0.649 0.000 0.895 51 L HN 0.243 nan 8.230 nan 0.000 0.433 52 F N -1.826 117.790 119.950 -0.558 0.000 2.615 52 F HA -0.048 4.479 4.527 -0.001 0.000 0.297 52 F C 1.107 176.311 175.800 -0.993 0.000 1.124 52 F CA 0.652 58.160 58.000 -0.820 0.000 1.451 52 F CB 0.255 38.592 39.000 -1.106 0.000 1.103 52 F HN -0.036 nan 8.300 nan 0.000 0.569 53 F N -2.866 117.098 119.950 0.023 0.000 2.775 53 F HA 0.230 4.756 4.527 -0.001 0.000 0.313 53 F C 1.045 176.864 175.800 0.032 0.000 1.121 53 F CA -0.252 57.755 58.000 0.011 0.000 1.206 53 F CB -0.147 38.856 39.000 0.005 0.000 1.052 53 F HN -0.042 nan 8.300 nan 0.000 0.524 54 H N -2.115 116.923 119.070 -0.054 0.000 1.690 54 H HA 0.096 4.651 4.556 -0.001 0.000 0.146 54 H C 1.783 177.013 175.328 -0.164 0.000 1.057 54 H CA 1.241 57.245 56.048 -0.072 0.000 1.041 54 H CB 0.292 30.036 29.762 -0.030 0.000 0.775 54 H HN -0.135 nan 8.280 nan 0.000 0.305 55 T N 1.493 115.922 114.554 -0.209 0.000 2.770 55 T HA 0.115 4.465 4.350 -0.001 0.000 0.258 55 T C 0.898 175.359 174.700 -0.399 0.000 1.039 55 T CA 0.803 62.683 62.100 -0.367 0.000 1.143 55 T CB -0.082 68.361 68.868 -0.708 0.000 0.866 55 T HN 0.132 nan 8.240 nan 0.000 0.428 56 M N 1.742 121.036 119.600 -0.511 0.000 2.245 56 M HA 0.211 4.690 4.480 -0.001 0.000 0.330 56 M C 0.023 176.261 176.300 -0.103 0.000 1.098 56 M CA 0.250 55.331 55.300 -0.365 0.000 1.172 56 M CB 0.484 32.739 32.600 -0.574 0.000 1.467 56 M HN -0.111 nan 8.290 nan 0.000 0.454 57 R N 3.239 123.753 120.500 0.023 0.000 2.393 57 R HA 0.550 4.889 4.340 -0.001 0.000 0.315 57 R C -1.539 174.849 176.300 0.147 0.000 0.952 57 R CA -0.465 55.640 56.100 0.008 0.000 0.842 57 R CB 1.055 31.360 30.300 0.008 0.000 1.163 57 R HN 0.788 nan 8.270 nan 0.000 0.450 58 Y N -1.817 118.444 120.300 -0.065 0.000 2.702 58 Y HA 0.437 4.987 4.550 -0.001 0.000 0.336 58 Y C -1.243 174.674 175.900 0.027 0.000 1.203 58 Y CA -1.360 56.739 58.100 -0.002 0.000 1.072 58 Y CB 1.401 39.861 38.460 -0.001 0.000 1.327 58 Y HN 0.175 nan 8.280 nan 0.000 0.456 59 K N 1.796 122.293 120.400 0.161 0.000 2.263 59 K HA 0.263 4.582 4.320 -0.001 0.000 0.282 59 K C 0.607 177.383 176.600 0.294 0.000 1.089 59 K CA 0.128 56.483 56.287 0.114 0.000 0.907 59 K CB 1.348 33.931 32.500 0.139 0.000 1.148 59 K HN 0.863 nan 8.250 nan 0.000 0.470 60 S N 2.335 118.153 115.700 0.197 0.000 2.402 60 S HA -0.203 4.267 4.470 -0.001 0.000 0.233 60 S C 1.293 176.213 174.600 0.534 0.000 1.030 60 S CA 0.953 59.416 58.200 0.439 0.000 1.003 60 S CB -0.035 63.313 63.200 0.246 0.000 0.813 60 S HN 0.531 nan 8.310 nan 0.000 0.477 61 Q N 0.771 120.796 119.800 0.375 0.000 2.360 61 Q HA 0.282 4.621 4.340 -0.001 0.000 0.202 61 Q C -0.427 175.787 176.000 0.356 0.000 0.915 61 Q CA 0.397 56.454 55.803 0.422 0.000 0.943 61 Q CB 0.194 29.094 28.738 0.269 0.000 1.064 61 Q HN 0.625 nan 8.270 nan 0.000 0.511 62 D N -0.379 120.166 120.400 0.242 0.000 2.586 62 D HA 0.207 4.847 4.640 -0.001 0.000 0.254 62 D C -2.164 174.172 176.300 0.061 0.000 1.248 62 D CA -1.766 52.314 54.000 0.134 0.000 0.843 62 D CB 1.244 42.121 40.800 0.129 0.000 1.332 62 D HN -0.199 nan 8.370 nan 0.000 0.523 63 P HA -0.074 nan 4.420 nan 0.000 0.216 63 P C 1.164 178.409 177.300 -0.091 0.000 1.150 63 P CA 0.774 63.763 63.100 -0.186 0.000 0.837 63 P CB 0.258 31.491 31.700 -0.778 0.000 0.786 64 R N -1.089 119.344 120.500 -0.111 0.000 2.323 64 R HA 0.034 4.373 4.340 -0.001 0.000 0.198 64 R C 0.835 177.103 176.300 -0.053 0.000 0.988 64 R CA -0.009 56.042 56.100 -0.082 0.000 1.041 64 R CB -0.882 29.369 30.300 -0.081 0.000 0.926 64 R HN 0.292 nan 8.270 nan 0.000 0.476 65 N N 2.773 121.468 118.700 -0.008 0.000 2.359 65 N HA -0.055 4.684 4.740 -0.001 0.000 0.261 65 N C -1.622 173.842 175.510 -0.078 0.000 1.267 65 N CA -0.700 52.353 53.050 0.004 0.000 0.864 65 N CB 1.150 39.691 38.487 0.090 0.000 1.063 65 N HN -0.013 nan 8.380 nan 0.000 0.474 66 P HA -0.101 nan 4.420 nan 0.000 0.228 66 P C 0.364 177.450 177.300 -0.357 0.000 1.151 66 P CA 1.243 64.171 63.100 -0.287 0.000 0.770 66 P CB 0.058 31.586 31.700 -0.287 0.000 0.786 67 H N -1.796 117.280 119.070 0.011 0.000 2.551 67 H HA 0.154 4.709 4.556 -0.001 0.000 0.266 67 H C 0.536 175.901 175.328 0.061 0.000 0.964 67 H CA -0.036 56.061 56.048 0.081 0.000 1.180 67 H CB -0.286 29.529 29.762 0.088 0.000 1.408 67 H HN 0.164 nan 8.280 nan 0.000 0.563 68 N N 2.384 121.122 118.700 0.063 0.000 2.479 68 N HA -0.051 4.688 4.740 -0.001 0.000 0.257 68 N C -0.014 175.511 175.510 0.025 0.000 1.232 68 N CA 0.139 53.244 53.050 0.092 0.000 0.920 68 N CB 0.519 39.068 38.487 0.103 0.000 1.105 68 N HN 0.113 nan 8.380 nan 0.000 0.444 69 D N 1.142 121.631 120.400 0.149 0.000 2.472 69 D HA 0.032 4.671 4.640 -0.001 0.000 0.237 69 D C 0.379 176.738 176.300 0.097 0.000 1.141 69 D CA 0.423 54.533 54.000 0.183 0.000 0.875 69 D CB 0.595 41.535 40.800 0.233 0.000 1.192 69 D HN 0.154 nan 8.370 nan 0.000 0.450 70 R N 0.819 121.394 120.500 0.124 0.000 2.486 70 R HA 0.510 4.850 4.340 -0.001 0.000 0.286 70 R C -0.740 175.703 176.300 0.238 0.000 0.999 70 R CA -0.611 55.556 56.100 0.111 0.000 0.993 70 R CB 0.591 30.929 30.300 0.063 0.000 1.084 70 R HN 0.316 nan 8.270 nan 0.000 0.487 71 F N 2.360 122.348 119.950 0.063 0.000 2.518 71 F HA 0.551 5.078 4.527 -0.001 0.000 0.323 71 F C -1.238 174.642 175.800 0.134 0.000 1.129 71 F CA -1.033 57.025 58.000 0.096 0.000 0.920 71 F CB 1.442 40.474 39.000 0.053 0.000 1.160 71 F HN 0.164 nan 8.300 nan 0.000 0.440 72 V N 7.347 126.853 119.914 -0.680 0.000 2.409 72 V HA 0.322 4.442 4.120 -0.001 0.000 0.291 72 V C -0.728 174.833 176.094 -0.888 0.000 1.020 72 V CA -0.776 61.184 62.300 -0.568 0.000 0.848 72 V CB 1.501 33.182 31.823 -0.236 0.000 0.990 72 V HN 0.662 nan 8.190 nan 0.000 0.430 73 L N 4.437 125.302 121.223 -0.596 0.000 2.358 73 L HA 0.374 4.714 4.340 -0.001 0.000 0.274 73 L C 1.443 178.220 176.870 -0.155 0.000 1.136 73 L CA 0.863 55.507 54.840 -0.327 0.000 0.970 73 L CB 0.871 42.923 42.059 -0.011 0.000 1.314 73 L HN 0.705 nan 8.230 nan 0.000 0.427 74 S N 3.084 118.695 115.700 -0.148 0.000 2.382 74 S HA -0.101 4.369 4.470 -0.001 0.000 0.228 74 S C 0.973 175.558 174.600 -0.024 0.000 1.027 74 S CA 1.082 59.235 58.200 -0.079 0.000 0.991 74 S CB -0.082 63.070 63.200 -0.079 0.000 0.823 74 S HN 0.749 nan 8.310 nan 0.000 0.469 75 K N 1.106 121.487 120.400 -0.032 0.000 2.187 75 K HA 0.379 4.699 4.320 -0.001 0.000 0.242 75 K C 1.042 177.564 176.600 -0.131 0.000 1.179 75 K CA 0.106 56.374 56.287 -0.033 0.000 1.097 75 K CB 0.224 32.673 32.500 -0.086 0.000 1.634 75 K HN 0.174 nan 8.250 nan 0.000 0.335 76 G N 2.178 111.010 108.800 0.052 0.000 2.509 76 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.218 76 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.218 76 G C 1.272 176.178 174.900 0.009 0.000 1.124 76 G CA 0.354 45.505 45.100 0.086 0.000 0.776 76 G HN 0.865 nan 8.290 nan 0.000 0.547 77 H N -0.080 118.953 119.070 -0.061 0.000 2.545 77 H HA 0.219 4.775 4.556 -0.001 0.000 0.282 77 H C 2.112 177.243 175.328 -0.329 0.000 1.020 77 H CA 0.756 56.533 56.048 -0.451 0.000 1.243 77 H CB -0.602 28.760 29.762 -0.667 0.000 1.377 77 H HN 0.270 nan 8.280 nan 0.000 0.581 78 A N 1.311 123.817 122.820 -0.523 0.000 2.261 78 A HA 0.366 4.686 4.320 -0.001 0.000 0.208 78 A C 2.519 179.945 177.584 -0.264 0.000 1.223 78 A CA 0.627 52.477 52.037 -0.312 0.000 0.833 78 A CB -0.738 18.109 19.000 -0.255 0.000 0.830 78 A HN 0.579 nan 8.150 nan 0.000 0.483 79 A N 1.286 123.908 122.820 -0.331 0.000 1.958 79 A HA -0.144 4.176 4.320 -0.001 0.000 0.221 79 A C 0.080 177.164 177.584 -0.833 0.000 1.178 79 A CA 2.093 53.793 52.037 -0.562 0.000 0.642 79 A CB -1.429 17.253 19.000 -0.529 0.000 0.816 79 A HN 0.470 nan 8.150 nan 0.000 0.453 80 P HA -0.087 nan 4.420 nan 0.000 0.220 80 P C 1.492 178.692 177.300 -0.168 0.000 1.148 80 P CA 0.761 63.720 63.100 -0.234 0.000 0.803 80 P CB -0.014 31.661 31.700 -0.042 0.000 0.782 81 I N -1.419 119.046 120.570 -0.175 0.000 2.584 81 I HA -0.137 4.033 4.170 -0.001 0.000 0.255 81 I C 1.898 177.903 176.117 -0.186 0.000 1.145 81 I CA 0.569 61.791 61.300 -0.130 0.000 1.462 81 I CB -0.185 37.759 38.000 -0.093 0.000 1.102 81 I HN -0.155 nan 8.210 nan 0.000 0.433 82 L N 0.744 121.841 121.223 -0.210 0.000 1.990 82 L HA -0.283 4.057 4.340 -0.001 0.000 0.213 82 L C 2.248 179.058 176.870 -0.101 0.000 1.072 82 L CA 2.215 56.957 54.840 -0.164 0.000 0.755 82 L CB -1.050 40.994 42.059 -0.025 0.000 0.889 82 L HN 0.222 nan 8.230 nan 0.000 0.432 83 Y N 0.049 120.306 120.300 -0.072 0.000 2.181 83 Y HA -0.131 4.418 4.550 -0.001 0.000 0.288 83 Y C 2.650 178.496 175.900 -0.090 0.000 1.146 83 Y CA 0.749 58.790 58.100 -0.098 0.000 1.164 83 Y CB -1.758 36.721 38.460 0.031 0.000 0.982 83 Y HN 0.324 nan 8.280 nan 0.000 0.515 84 A N 0.300 123.152 122.820 0.053 0.000 1.908 84 A HA -0.161 4.158 4.320 -0.001 0.000 0.218 84 A C 2.440 179.978 177.584 -0.078 0.000 1.181 84 A CA 2.447 54.482 52.037 -0.004 0.000 0.627 84 A CB -1.387 17.597 19.000 -0.027 0.000 0.818 84 A HN 0.358 nan 8.150 nan 0.000 0.445 85 V N -4.628 115.145 119.914 -0.236 0.000 2.515 85 V HA -0.192 3.928 4.120 -0.001 0.000 0.250 85 V C 2.090 177.957 176.094 -0.379 0.000 1.058 85 V CA 1.535 63.610 62.300 -0.376 0.000 1.064 85 V CB -1.285 29.939 31.823 -0.998 0.000 0.675 85 V HN 0.646 nan 8.190 nan 0.000 0.461 86 W N 0.554 121.678 121.300 -0.293 0.000 2.678 86 W HA 0.373 5.033 4.660 -0.001 0.000 0.256 86 W C 2.628 179.168 176.519 0.035 0.000 1.280 86 W CA 1.082 58.318 57.345 -0.182 0.000 1.345 86 W CB -0.139 29.014 29.460 -0.512 0.000 1.118 86 W HN 0.314 nan 8.180 nan 0.000 0.629 87 A N -0.040 122.882 122.820 0.169 0.000 1.898 87 A HA -0.166 4.153 4.320 -0.001 0.000 0.214 87 A C 1.771 179.424 177.584 0.114 0.000 1.183 87 A CA 1.725 53.847 52.037 0.141 0.000 0.622 87 A CB -0.649 18.403 19.000 0.087 0.000 0.824 87 A HN 0.218 nan 8.150 nan 0.000 0.444 88 E N 0.400 120.646 120.200 0.077 0.000 2.110 88 E HA -0.070 4.279 4.350 -0.001 0.000 0.193 88 E C 1.781 178.485 176.600 0.173 0.000 0.988 88 E CA 1.385 57.807 56.400 0.036 0.000 0.804 88 E CB -0.342 29.304 29.700 -0.090 0.000 0.745 88 E HN 0.487 nan 8.360 nan 0.000 0.458 89 A N -0.820 122.189 122.820 0.315 0.000 2.206 89 A HA 0.281 4.601 4.320 -0.001 0.000 0.211 89 A C 1.826 179.577 177.584 0.279 0.000 1.158 89 A CA 1.045 53.282 52.037 0.333 0.000 0.761 89 A CB -0.590 18.497 19.000 0.145 0.000 0.801 89 A HN 0.497 nan 8.150 nan 0.000 0.473 90 G N -2.228 106.723 108.800 0.251 0.000 2.157 90 G HA2 -0.342 3.618 3.960 -0.001 0.000 0.248 90 G HA3 -0.342 3.618 3.960 -0.001 0.000 0.248 90 G C 0.607 175.673 174.900 0.277 0.000 0.979 90 G CA 0.564 45.790 45.100 0.211 0.000 0.650 90 G HN 0.713 nan 8.290 nan 0.000 0.529 91 F N 0.489 120.603 119.950 0.273 0.000 2.187 91 F HA 0.491 5.018 4.527 -0.001 0.000 0.295 91 F C 1.317 177.247 175.800 0.215 0.000 1.091 91 F CA 0.786 58.965 58.000 0.298 0.000 1.308 91 F CB 0.099 39.401 39.000 0.503 0.000 1.030 91 F HN 0.128 nan 8.300 nan 0.000 0.487 92 L N 0.759 122.145 121.223 0.271 0.000 2.343 92 L HA 0.503 4.842 4.340 -0.001 0.000 0.275 92 L C 0.141 177.046 176.870 0.057 0.000 1.056 92 L CA -1.084 53.821 54.840 0.110 0.000 0.804 92 L CB 1.300 43.481 42.059 0.204 0.000 1.203 92 L HN 0.009 nan 8.230 nan 0.000 0.440 93 A N 2.177 125.000 122.820 0.006 0.000 2.440 93 A HA 0.154 4.474 4.320 -0.001 0.000 0.251 93 A C 0.967 178.568 177.584 0.029 0.000 1.089 93 A CA -0.230 51.813 52.037 0.010 0.000 0.779 93 A CB 0.213 19.207 19.000 -0.011 0.000 1.022 93 A HN 0.932 nan 8.150 nan 0.000 0.492 94 E N 2.176 122.394 120.200 0.030 0.000 2.118 94 E HA -0.220 4.130 4.350 -0.001 0.000 0.195 94 E C 2.085 178.700 176.600 0.025 0.000 0.992 94 E CA 1.343 57.762 56.400 0.032 0.000 0.804 94 E CB -0.153 29.561 29.700 0.024 0.000 0.741 94 E HN 0.838 nan 8.360 nan 0.000 0.458 95 A N 1.402 124.232 122.820 0.016 0.000 2.015 95 A HA -0.204 4.115 4.320 -0.001 0.000 0.219 95 A C 2.022 179.614 177.584 0.013 0.000 1.163 95 A CA 1.450 53.494 52.037 0.011 0.000 0.646 95 A CB -0.274 18.729 19.000 0.004 0.000 0.806 95 A HN 0.109 nan 8.150 nan 0.000 0.448 96 E N 0.411 120.618 120.200 0.013 0.000 2.268 96 E HA -0.083 4.267 4.350 -0.001 0.000 0.195 96 E C 1.636 178.248 176.600 0.019 0.000 0.995 96 E CA 0.751 57.156 56.400 0.009 0.000 0.836 96 E CB -0.530 29.171 29.700 0.001 0.000 0.763 96 E HN 0.648 nan 8.360 nan 0.000 0.491 97 L N -0.064 121.182 121.223 0.039 0.000 2.191 97 L HA -0.146 4.194 4.340 -0.001 0.000 0.212 97 L C 2.108 179.017 176.870 0.065 0.000 1.103 97 L CA 0.791 55.672 54.840 0.068 0.000 0.769 97 L CB -0.438 41.669 42.059 0.080 0.000 0.908 97 L HN 0.210 nan 8.230 nan 0.000 0.438 98 L N -0.286 120.962 121.223 0.041 0.000 2.551 98 L HA -0.068 4.271 4.340 -0.001 0.000 0.228 98 L C 1.259 178.148 176.870 0.032 0.000 1.153 98 L CA 0.297 55.158 54.840 0.035 0.000 0.851 98 L CB -0.459 41.613 42.059 0.021 0.000 0.959 98 L HN 0.330 nan 8.230 nan 0.000 0.451 99 N N 0.568 119.285 118.700 0.028 0.000 2.314 99 N HA 0.068 4.808 4.740 -0.001 0.000 0.200 99 N C 0.367 175.896 175.510 0.032 0.000 1.135 99 N CA -0.145 52.918 53.050 0.022 0.000 0.835 99 N CB 0.130 38.621 38.487 0.007 0.000 0.989 99 N HN 0.122 nan 8.380 nan 0.000 0.478 100 L N 1.719 122.977 121.223 0.059 0.000 2.720 100 L HA -0.182 4.157 4.340 -0.001 0.000 0.289 100 L C 0.831 177.752 176.870 0.084 0.000 1.232 100 L CA 0.935 55.836 54.840 0.101 0.000 0.915 100 L CB -0.080 42.066 42.059 0.145 0.000 1.184 100 L HN 0.346 nan 8.230 nan 0.000 0.491 101 R N 0.366 120.922 120.500 0.093 0.000 3.954 101 R HA -0.164 4.176 4.340 -0.001 0.000 0.422 101 R C -0.291 176.042 176.300 0.054 0.000 1.091 101 R CA 1.110 57.260 56.100 0.083 0.000 1.168 101 R CB -1.111 29.242 30.300 0.087 0.000 1.752 101 R HN 0.562 nan 8.270 nan 0.000 0.547 102 K N 0.739 121.162 120.400 0.038 0.000 2.144 102 K HA 0.123 4.442 4.320 -0.001 0.000 0.270 102 K C 1.158 177.770 176.600 0.020 0.000 1.005 102 K CA -0.294 56.008 56.287 0.026 0.000 0.932 102 K CB 0.798 33.308 32.500 0.018 0.000 1.021 102 K HN -0.047 nan 8.250 nan 0.000 0.462 103 I N 2.274 122.855 120.570 0.017 0.000 2.423 103 I HA -0.291 3.879 4.170 -0.001 0.000 0.254 103 I C 1.458 177.578 176.117 0.005 0.000 1.151 103 I CA 1.717 63.024 61.300 0.013 0.000 1.421 103 I CB 0.031 38.038 38.000 0.011 0.000 1.079 103 I HN 0.621 nan 8.210 nan 0.000 0.431 104 S N -1.825 113.877 115.700 0.003 0.000 2.597 104 S HA 0.245 4.715 4.470 -0.001 0.000 0.224 104 S C 0.752 175.347 174.600 -0.008 0.000 0.955 104 S CA -0.135 58.063 58.200 -0.002 0.000 0.933 104 S CB -0.299 62.900 63.200 -0.002 0.000 0.788 104 S HN 0.346 nan 8.310 nan 0.000 0.488 105 S N 0.167 115.862 115.700 -0.009 0.000 2.568 105 S HA 0.489 4.959 4.470 -0.001 0.000 0.293 105 S C -0.667 173.914 174.600 -0.031 0.000 1.089 105 S CA -0.575 57.612 58.200 -0.022 0.000 0.945 105 S CB 1.501 64.689 63.200 -0.020 0.000 1.077 105 S HN 0.092 nan 8.310 nan 0.000 0.485 106 D N 2.073 122.440 120.400 -0.055 0.000 2.328 106 D HA 0.207 4.847 4.640 -0.001 0.000 0.221 106 D C 0.045 176.266 176.300 -0.131 0.000 1.072 106 D CA 0.345 54.301 54.000 -0.074 0.000 0.850 106 D CB 0.030 40.780 40.800 -0.083 0.000 0.922 106 D HN 0.423 nan 8.370 nan 0.000 0.516 107 L N 1.650 122.767 121.223 -0.176 0.000 2.466 107 L HA 0.184 4.524 4.340 -0.001 0.000 0.248 107 L C 0.036 176.889 176.870 -0.027 0.000 1.240 107 L CA -0.412 54.191 54.840 -0.395 0.000 1.180 107 L CB -0.112 41.674 42.059 -0.456 0.000 1.413 107 L HN -0.296 nan 8.230 nan 0.000 0.406 108 D N 0.517 120.968 120.400 0.085 0.000 2.371 108 D HA 0.113 4.752 4.640 -0.001 0.000 0.242 108 D C 1.426 177.888 176.300 0.271 0.000 1.218 108 D CA 0.301 54.401 54.000 0.166 0.000 0.945 108 D CB 1.035 41.913 40.800 0.129 0.000 1.137 108 D HN 0.295 nan 8.370 nan 0.000 0.464 109 G N -0.851 108.071 108.800 0.203 0.000 2.469 109 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.220 109 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.220 109 G C 0.104 174.966 174.900 -0.062 0.000 1.136 109 G CA 1.341 46.523 45.100 0.136 0.000 0.759 109 G HN 0.470 nan 8.290 nan 0.000 0.562 110 H N -0.972 118.186 119.070 0.147 0.000 2.865 110 H HA 0.486 5.041 4.556 -0.001 0.000 0.372 110 H C -2.522 172.898 175.328 0.154 0.000 1.173 110 H CA -1.806 54.307 56.048 0.109 0.000 1.147 110 H CB 1.893 31.694 29.762 0.065 0.000 1.805 110 H HN -0.095 nan 8.280 nan 0.000 0.553 111 P HA 0.148 nan 4.420 nan 0.000 0.271 111 P C -1.009 176.377 177.300 0.144 0.000 1.218 111 P CA -0.303 62.945 63.100 0.246 0.000 0.780 111 P CB 0.761 32.593 31.700 0.220 0.000 0.901 112 V N -0.404 119.560 119.914 0.083 0.000 3.114 112 V HA 0.509 4.629 4.120 -0.001 0.000 0.308 112 V C -2.236 173.815 176.094 -0.073 0.000 1.168 112 V CA -2.157 60.149 62.300 0.009 0.000 1.015 112 V CB 2.056 33.890 31.823 0.017 0.000 1.050 112 V HN 0.288 nan 8.190 nan 0.000 0.433 113 P HA -0.017 nan 4.420 nan 0.000 0.245 113 P C 1.049 178.262 177.300 -0.146 0.000 1.212 113 P CA 0.693 63.720 63.100 -0.121 0.000 0.774 113 P CB 0.063 31.714 31.700 -0.082 0.000 0.999 114 K N -0.026 120.298 120.400 -0.127 0.000 2.280 114 K HA -0.118 4.201 4.320 -0.001 0.000 0.202 114 K C 0.644 177.114 176.600 -0.215 0.000 1.047 114 K CA 0.679 56.887 56.287 -0.131 0.000 0.942 114 K CB -0.599 31.848 32.500 -0.090 0.000 0.739 114 K HN 0.226 nan 8.250 nan 0.000 0.457 115 Q N 0.549 120.141 119.800 -0.347 0.000 2.295 115 Q HA 0.267 4.607 4.340 -0.001 0.000 0.259 115 Q C 0.707 176.272 176.000 -0.724 0.000 0.976 115 Q CA -0.181 55.201 55.803 -0.701 0.000 0.923 115 Q CB 1.649 29.705 28.738 -1.136 0.000 1.185 115 Q HN 0.308 nan 8.270 nan 0.000 0.410 116 A N 3.232 125.701 122.820 -0.585 0.000 2.019 116 A HA -0.172 4.148 4.320 -0.001 0.000 0.219 116 A C 1.240 178.477 177.584 -0.579 0.000 1.164 116 A CA 1.208 52.993 52.037 -0.421 0.000 0.644 116 A CB -0.543 18.330 19.000 -0.213 0.000 0.805 116 A HN 0.836 nan 8.150 nan 0.000 0.449 117 F N -1.318 118.263 119.950 -0.616 0.000 2.811 117 F HA 0.330 4.856 4.527 -0.001 0.000 0.301 117 F C 0.226 175.837 175.800 -0.314 0.000 1.151 117 F CA 0.079 57.588 58.000 -0.818 0.000 1.412 117 F CB -1.035 36.911 39.000 -1.756 0.000 1.113 117 F HN -0.126 nan 8.300 nan 0.000 0.579 118 T N 1.125 115.498 114.554 -0.302 0.000 2.812 118 T HA 0.207 4.557 4.350 -0.001 0.000 0.282 118 T C 0.162 174.800 174.700 -0.104 0.000 0.990 118 T CA -0.526 61.519 62.100 -0.092 0.000 0.960 118 T CB 1.984 70.789 68.868 -0.104 0.000 0.948 118 T HN 0.095 nan 8.240 nan 0.000 0.438 119 D N 1.176 121.549 120.400 -0.045 0.000 2.394 119 D HA 0.102 4.741 4.640 -0.001 0.000 0.226 119 D C 0.901 177.175 176.300 -0.042 0.000 0.990 119 D CA 0.875 54.844 54.000 -0.052 0.000 0.902 119 D CB 0.745 41.524 40.800 -0.036 0.000 1.038 119 D HN 0.471 nan 8.370 nan 0.000 0.499 120 V N -1.345 118.552 119.914 -0.030 0.000 2.656 120 V HA 0.807 4.926 4.120 -0.001 0.000 0.307 120 V C -0.433 175.651 176.094 -0.016 0.000 1.051 120 V CA -1.364 60.919 62.300 -0.028 0.000 0.893 120 V CB 1.628 33.433 31.823 -0.031 0.000 0.999 120 V HN 0.039 nan 8.190 nan 0.000 0.426 121 A N 3.740 126.550 122.820 -0.016 0.000 2.440 121 A HA 0.735 5.054 4.320 -0.001 0.000 0.251 121 A C 0.661 178.242 177.584 -0.005 0.000 1.089 121 A CA 0.494 52.532 52.037 0.001 0.000 0.779 121 A CB -0.025 18.969 19.000 -0.009 0.000 1.022 121 A HN 1.636 nan 8.150 nan 0.000 0.492 122 T N -0.975 113.591 114.554 0.020 0.000 2.883 122 T HA 0.853 5.203 4.350 -0.001 0.000 0.284 122 T C 0.727 175.440 174.700 0.022 0.000 1.041 122 T CA 0.050 62.156 62.100 0.010 0.000 1.007 122 T CB 1.764 70.640 68.868 0.014 0.000 1.220 122 T HN 2.059 nan 8.240 nan 0.000 0.552 123 G N 0.089 108.886 108.800 -0.005 0.000 3.514 123 G HA2 -0.021 3.938 3.960 -0.001 0.000 0.197 123 G HA3 -0.021 3.938 3.960 -0.001 0.000 0.197 123 G C 0.215 175.012 174.900 -0.171 0.000 1.098 123 G CA 0.179 45.167 45.100 -0.186 0.000 0.884 123 G HN 1.171 nan 8.290 nan 0.000 0.433 124 S N 1.569 117.200 115.700 -0.115 0.000 2.411 124 S HA 0.692 5.162 4.470 -0.001 0.000 0.294 124 S C 0.551 175.121 174.600 -0.050 0.000 1.115 124 S CA -0.568 57.577 58.200 -0.092 0.000 1.071 124 S CB 0.114 63.252 63.200 -0.103 0.000 0.967 124 S HN 0.420 nan 8.310 nan 0.000 0.488 125 L N 4.417 125.621 121.223 -0.032 0.000 2.467 125 L HA 0.416 4.755 4.340 -0.001 0.000 0.270 125 L C 1.627 178.483 176.870 -0.023 0.000 1.205 125 L CA 0.727 55.563 54.840 -0.006 0.000 0.828 125 L CB 0.366 42.430 42.059 0.009 0.000 1.101 125 L HN 1.015 nan 8.230 nan 0.000 0.479 126 G N 1.107 109.889 108.800 -0.029 0.000 2.175 126 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.244 126 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.244 126 G C 0.668 175.532 174.900 -0.060 0.000 0.982 126 G CA 0.355 45.425 45.100 -0.050 0.000 0.641 126 G HN 0.688 nan 8.290 nan 0.000 0.527 127 Q N -0.494 119.274 119.800 -0.053 0.000 2.392 127 Q HA 0.254 4.594 4.340 -0.001 0.000 0.219 127 Q C 2.663 178.627 176.000 -0.060 0.000 0.895 127 Q CA 0.552 56.323 55.803 -0.053 0.000 0.929 127 Q CB 0.280 28.989 28.738 -0.048 0.000 1.077 127 Q HN 0.470 nan 8.270 nan 0.000 0.532 128 G N 1.683 110.445 108.800 -0.064 0.000 2.440 128 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.218 128 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.218 128 G C 1.372 176.231 174.900 -0.067 0.000 1.154 128 G CA 0.582 45.639 45.100 -0.071 0.000 0.767 128 G HN 0.219 nan 8.290 nan 0.000 0.552 129 L N 1.617 122.796 121.223 -0.073 0.000 2.131 129 L HA 0.149 4.489 4.340 -0.001 0.000 0.210 129 L C 2.797 179.650 176.870 -0.028 0.000 1.092 129 L CA 2.041 56.852 54.840 -0.048 0.000 0.759 129 L CB -0.887 41.116 42.059 -0.093 0.000 0.903 129 L HN 0.177 nan 8.230 nan 0.000 0.435 130 G N -1.170 107.593 108.800 -0.062 0.000 2.421 130 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.216 130 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.216 130 G C 1.617 176.461 174.900 -0.093 0.000 1.171 130 G CA 0.778 45.821 45.100 -0.094 0.000 0.775 130 G HN 0.592 nan 8.290 nan 0.000 0.543 131 A N 1.218 124.001 122.820 -0.062 0.000 1.902 131 A HA 0.247 4.566 4.320 -0.001 0.000 0.217 131 A C 2.833 180.409 177.584 -0.013 0.000 1.181 131 A CA 2.300 54.311 52.037 -0.043 0.000 0.623 131 A CB -0.844 18.132 19.000 -0.039 0.000 0.818 131 A HN 0.828 nan 8.150 nan 0.000 0.443 132 A N -0.967 121.851 122.820 -0.004 0.000 1.908 132 A HA -0.213 4.107 4.320 -0.001 0.000 0.218 132 A C 2.317 179.946 177.584 0.076 0.000 1.181 132 A CA 1.748 53.805 52.037 0.034 0.000 0.627 132 A CB -1.370 17.650 19.000 0.032 0.000 0.818 132 A HN 0.600 nan 8.150 nan 0.000 0.445 133 C N -1.142 118.200 119.300 0.070 0.000 2.413 133 C HA -0.042 4.417 4.460 -0.001 0.000 0.276 133 C C 3.010 178.084 174.990 0.141 0.000 1.248 133 C CA 0.823 59.917 59.018 0.127 0.000 1.742 133 C CB -1.614 26.137 27.740 0.017 0.000 2.017 133 C HN 0.719 nan 8.230 nan 0.000 0.481 134 G N -0.175 108.641 108.800 0.027 0.000 2.402 134 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.216 134 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.216 134 G C 1.584 176.587 174.900 0.171 0.000 1.162 134 G CA 0.791 45.931 45.100 0.067 0.000 0.777 134 G HN 0.501 nan 8.290 nan 0.000 0.539 135 M N 0.857 120.541 119.600 0.140 0.000 2.108 135 M HA -0.013 4.467 4.480 -0.001 0.000 0.261 135 M C 3.009 179.452 176.300 0.239 0.000 1.066 135 M CA 1.569 56.981 55.300 0.186 0.000 1.107 135 M CB -0.202 32.480 32.600 0.135 0.000 1.356 135 M HN 0.304 nan 8.290 nan 0.000 0.406 136 A N -0.913 122.018 122.820 0.184 0.000 1.929 136 A HA -0.186 4.133 4.320 -0.001 0.000 0.216 136 A C 2.001 179.616 177.584 0.053 0.000 1.176 136 A CA 1.180 53.278 52.037 0.102 0.000 0.628 136 A CB -1.019 18.024 19.000 0.072 0.000 0.816 136 A HN 0.566 nan 8.150 nan 0.000 0.444 137 Y N 1.109 121.451 120.300 0.071 0.000 2.145 137 Y HA -0.217 4.332 4.550 -0.001 0.000 0.286 137 Y C 2.755 178.601 175.900 -0.090 0.000 1.145 137 Y CA 2.426 60.568 58.100 0.070 0.000 1.148 137 Y CB -0.425 38.131 38.460 0.160 0.000 0.981 137 Y HN 0.325 nan 8.280 nan 0.000 0.507 138 T N -0.427 114.287 114.554 0.266 0.000 2.684 138 T HA -0.194 4.155 4.350 -0.001 0.000 0.267 138 T C 1.983 176.741 174.700 0.096 0.000 1.036 138 T CA 1.483 63.752 62.100 0.282 0.000 1.148 138 T CB -1.095 68.024 68.868 0.419 0.000 0.863 138 T HN 0.620 nan 8.240 nan 0.000 0.436 139 G N 1.094 109.900 108.800 0.009 0.000 2.440 139 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.218 139 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.218 139 G C 1.526 176.159 174.900 -0.446 0.000 1.154 139 G CA 1.133 46.000 45.100 -0.388 0.000 0.767 139 G HN 0.459 nan 8.290 nan 0.000 0.552 140 K N -1.229 118.873 120.400 -0.496 0.000 2.166 140 K HA 0.087 4.406 4.320 -0.001 0.000 0.201 140 K C 1.757 177.885 176.600 -0.786 0.000 1.052 140 K CA 0.577 56.431 56.287 -0.723 0.000 0.969 140 K CB 0.040 31.933 32.500 -1.012 0.000 0.761 140 K HN 0.421 nan 8.250 nan 0.000 0.459 141 Y N -1.748 118.277 120.300 -0.458 0.000 2.444 141 Y HA 0.173 4.723 4.550 -0.001 0.000 0.252 141 Y C 1.156 176.908 175.900 -0.247 0.000 1.091 141 Y CA -0.265 57.547 58.100 -0.481 0.000 1.276 141 Y CB 0.482 38.427 38.460 -0.858 0.000 1.170 141 Y HN -0.039 nan 8.280 nan 0.000 0.517 142 F N -0.275 119.750 119.950 0.124 0.000 2.482 142 F HA 0.108 4.635 4.527 -0.001 0.000 0.278 142 F C 1.788 177.634 175.800 0.076 0.000 0.969 142 F CA 0.169 58.246 58.000 0.129 0.000 1.223 142 F CB -0.847 38.255 39.000 0.171 0.000 1.140 142 F HN -0.178 nan 8.300 nan 0.000 0.672 143 D N 0.679 121.231 120.400 0.255 0.000 2.144 143 D HA -0.117 4.522 4.640 -0.001 0.000 0.200 143 D C 0.572 176.904 176.300 0.053 0.000 0.978 143 D CA 1.099 55.189 54.000 0.150 0.000 0.833 143 D CB -0.296 40.608 40.800 0.174 0.000 0.961 143 D HN 0.182 nan 8.370 nan 0.000 0.470 144 K N -0.521 119.853 120.400 -0.044 0.000 3.150 144 K HA -0.156 4.163 4.320 -0.001 0.000 0.267 144 K C -0.282 176.253 176.600 -0.109 0.000 1.028 144 K CA 0.338 56.562 56.287 -0.106 0.000 0.753 144 K CB -1.687 30.793 32.500 -0.033 0.000 1.288 144 K HN 0.221 nan 8.250 nan 0.000 0.473 145 A N 0.299 123.005 122.820 -0.190 0.000 2.282 145 A HA 0.621 4.940 4.320 -0.001 0.000 0.324 145 A C 1.169 178.612 177.584 -0.236 0.000 1.119 145 A CA -0.017 51.938 52.037 -0.137 0.000 0.880 145 A CB 0.916 19.903 19.000 -0.022 0.000 1.294 145 A HN 0.344 nan 8.150 nan 0.000 0.493 146 S N -1.165 114.481 115.700 -0.090 0.000 2.528 146 S HA 0.077 4.547 4.470 -0.001 0.000 0.219 146 S C 0.469 175.043 174.600 -0.043 0.000 0.985 146 S CA 0.321 58.479 58.200 -0.071 0.000 0.914 146 S CB -0.891 62.311 63.200 0.004 0.000 0.776 146 S HN 0.883 nan 8.310 nan 0.000 0.526 147 Y N 2.259 122.575 120.300 0.026 0.000 2.578 147 Y HA 0.559 5.109 4.550 -0.001 0.000 0.339 147 Y C 0.412 176.310 175.900 -0.004 0.000 1.231 147 Y CA -1.420 56.702 58.100 0.037 0.000 1.461 147 Y CB 0.373 38.871 38.460 0.062 0.000 1.323 147 Y HN -0.053 nan 8.280 nan 0.000 0.590 148 R N 1.863 122.494 120.500 0.218 0.000 2.797 148 R HA 0.830 5.169 4.340 -0.001 0.000 0.251 148 R C -1.422 174.922 176.300 0.074 0.000 1.107 148 R CA -1.361 54.758 56.100 0.030 0.000 1.084 148 R CB 1.978 32.208 30.300 -0.117 0.000 1.205 148 R HN 0.592 nan 8.270 nan 0.000 0.515 149 V N 1.720 121.536 119.914 -0.163 0.000 2.577 149 V HA 0.383 4.503 4.120 -0.001 0.000 0.303 149 V C -1.480 174.470 176.094 -0.239 0.000 1.042 149 V CA -0.820 61.454 62.300 -0.043 0.000 0.872 149 V CB 1.494 33.349 31.823 0.053 0.000 0.998 149 V HN 0.589 nan 8.190 nan 0.000 0.423 150 Y N 2.602 122.982 120.300 0.133 0.000 2.409 150 Y HA 0.689 5.239 4.550 -0.001 0.000 0.343 150 Y C 0.025 175.998 175.900 0.123 0.000 0.973 150 Y CA -0.547 57.666 58.100 0.188 0.000 1.064 150 Y CB 2.071 40.663 38.460 0.220 0.000 1.207 150 Y HN 0.685 nan 8.280 nan 0.000 0.452 151 C N 5.544 124.974 119.300 0.218 0.000 2.431 151 C HA 0.687 5.147 4.460 -0.001 0.000 0.321 151 C C -1.428 173.607 174.990 0.075 0.000 1.202 151 C CA -0.825 58.200 59.018 0.012 0.000 1.398 151 C CB -0.156 27.587 27.740 0.006 0.000 2.047 151 C HN 0.803 nan 8.230 nan 0.000 0.465 152 L N 7.097 128.321 121.223 0.002 0.000 2.265 152 L HA 0.781 5.121 4.340 -0.001 0.000 0.289 152 L C -0.982 175.891 176.870 0.005 0.000 1.033 152 L CA 0.139 55.045 54.840 0.110 0.000 0.814 152 L CB 0.886 43.120 42.059 0.291 0.000 1.203 152 L HN 0.655 nan 8.230 nan 0.000 0.423 153 L N 4.161 125.377 121.223 -0.012 0.000 2.322 153 L HA 0.840 5.180 4.340 -0.001 0.000 0.269 153 L C 0.836 177.687 176.870 -0.031 0.000 1.012 153 L CA -0.176 54.637 54.840 -0.044 0.000 0.815 153 L CB 1.675 43.675 42.059 -0.100 0.000 1.295 153 L HN 0.682 nan 8.230 nan 0.000 0.438 154 G N -0.651 108.147 108.800 -0.003 0.000 2.547 154 G HA2 0.337 4.297 3.960 -0.001 0.000 0.291 154 G HA3 0.337 4.297 3.960 -0.001 0.000 0.291 154 G C 0.112 175.006 174.900 -0.009 0.000 1.211 154 G CA -0.074 45.041 45.100 0.025 0.000 0.950 154 G HN 0.759 nan 8.290 nan 0.000 0.504 155 D N -0.975 119.424 120.400 -0.001 0.000 2.201 155 D HA -0.014 4.625 4.640 -0.001 0.000 0.209 155 D C 2.268 178.616 176.300 0.081 0.000 0.961 155 D CA 0.975 54.975 54.000 -0.000 0.000 0.861 155 D CB -1.038 39.739 40.800 -0.038 0.000 0.997 155 D HN 0.500 nan 8.370 nan 0.000 0.486 156 G N 0.932 109.770 108.800 0.063 0.000 2.469 156 G HA2 -0.383 3.576 3.960 -0.001 0.000 0.219 156 G HA3 -0.383 3.576 3.960 -0.001 0.000 0.219 156 G C 1.480 176.410 174.900 0.050 0.000 1.150 156 G CA 1.078 46.208 45.100 0.049 0.000 0.763 156 G HN 0.508 nan 8.290 nan 0.000 0.561 157 E N 0.168 120.396 120.200 0.046 0.000 2.209 157 E HA -0.070 4.279 4.350 -0.001 0.000 0.196 157 E C 2.252 178.869 176.600 0.028 0.000 0.993 157 E CA 0.423 56.841 56.400 0.030 0.000 0.819 157 E CB -0.247 29.469 29.700 0.027 0.000 0.745 157 E HN 0.497 nan 8.360 nan 0.000 0.477 158 L N 0.627 121.886 121.223 0.059 0.000 2.549 158 L HA -0.039 4.300 4.340 -0.001 0.000 0.229 158 L C 2.088 179.130 176.870 0.287 0.000 1.158 158 L CA 0.274 55.186 54.840 0.121 0.000 0.842 158 L CB -0.037 42.145 42.059 0.204 0.000 0.952 158 L HN 0.079 nan 8.230 nan 0.000 0.452 159 S N -1.132 114.671 115.700 0.171 0.000 2.522 159 S HA -0.015 4.454 4.470 -0.001 0.000 0.227 159 S C 0.728 175.405 174.600 0.128 0.000 0.986 159 S CA 0.388 58.669 58.200 0.134 0.000 0.929 159 S CB -0.145 63.092 63.200 0.061 0.000 0.769 159 S HN 0.328 nan 8.310 nan 0.000 0.529 160 E N 1.142 121.410 120.200 0.113 0.000 2.324 160 E HA 0.117 4.467 4.350 -0.001 0.000 0.271 160 E C 1.288 177.986 176.600 0.163 0.000 1.028 160 E CA -0.043 56.409 56.400 0.087 0.000 0.890 160 E CB 0.938 30.655 29.700 0.029 0.000 1.004 160 E HN 0.319 nan 8.360 nan 0.000 0.431 161 G N 2.905 111.792 108.800 0.145 0.000 2.450 161 G HA2 -0.327 3.633 3.960 -0.001 0.000 0.220 161 G HA3 -0.327 3.633 3.960 -0.001 0.000 0.220 161 G C 1.545 176.535 174.900 0.150 0.000 1.130 161 G CA 1.134 46.345 45.100 0.185 0.000 0.760 161 G HN 0.551 nan 8.290 nan 0.000 0.557 162 S N 0.390 116.132 115.700 0.070 0.000 2.400 162 S HA -0.145 4.325 4.470 -0.001 0.000 0.232 162 S C 2.231 176.806 174.600 -0.041 0.000 1.025 162 S CA 1.432 59.647 58.200 0.024 0.000 0.993 162 S CB -0.550 62.651 63.200 0.000 0.000 0.808 162 S HN 0.134 nan 8.310 nan 0.000 0.478 163 V N 0.160 119.997 119.914 -0.128 0.000 2.407 163 V HA -0.145 3.974 4.120 -0.001 0.000 0.248 163 V C 2.239 177.998 176.094 -0.557 0.000 1.055 163 V CA 1.794 63.861 62.300 -0.389 0.000 1.049 163 V CB -1.086 30.396 31.823 -0.568 0.000 0.662 163 V HN 0.638 nan 8.190 nan 0.000 0.455 164 W N 0.216 121.430 121.300 -0.142 0.000 2.518 164 W HA 0.017 4.677 4.660 -0.000 0.000 0.273 164 W C 2.413 178.937 176.519 0.008 0.000 1.247 164 W CA 0.645 57.844 57.345 -0.243 0.000 1.288 164 W CB -0.240 28.995 29.460 -0.374 0.000 1.107 164 W HN 0.240 nan 8.180 nan 0.000 0.586 165 E N 0.517 120.844 120.200 0.211 0.000 2.051 165 E HA -0.215 4.134 4.350 -0.001 0.000 0.192 165 E C 2.365 179.116 176.600 0.251 0.000 0.991 165 E CA 1.453 57.997 56.400 0.239 0.000 0.799 165 E CB -0.529 29.269 29.700 0.164 0.000 0.748 165 E HN 0.239 nan 8.360 nan 0.000 0.449 166 A N 1.346 124.238 122.820 0.120 0.000 1.902 166 A HA -0.184 4.136 4.320 -0.001 0.000 0.217 166 A C 2.192 179.969 177.584 0.321 0.000 1.181 166 A CA 1.284 53.408 52.037 0.146 0.000 0.623 166 A CB -0.324 18.680 19.000 0.007 0.000 0.818 166 A HN 0.112 nan 8.150 nan 0.000 0.443 167 M N -0.393 119.311 119.600 0.173 0.000 2.086 167 M HA -0.136 4.343 4.480 -0.001 0.000 0.261 167 M C 2.555 179.280 176.300 0.709 0.000 1.067 167 M CA 1.754 57.252 55.300 0.330 0.000 1.116 167 M CB -1.477 30.979 32.600 -0.241 0.000 1.348 167 M HN 0.484 nan 8.290 nan 0.000 0.407 168 A N -0.343 122.858 122.820 0.635 0.000 1.933 168 A HA -0.190 4.129 4.320 -0.001 0.000 0.218 168 A C 2.138 179.980 177.584 0.430 0.000 1.175 168 A CA 1.283 53.653 52.037 0.556 0.000 0.628 168 A CB -1.099 18.187 19.000 0.477 0.000 0.814 168 A HN 0.456 nan 8.150 nan 0.000 0.444 169 F N 0.989 121.138 119.950 0.332 0.000 2.095 169 F HA -0.118 4.408 4.527 -0.001 0.000 0.298 169 F C 2.500 178.529 175.800 0.382 0.000 1.104 169 F CA 1.514 59.733 58.000 0.365 0.000 1.232 169 F CB -0.250 38.960 39.000 0.349 0.000 0.987 169 F HN 0.251 nan 8.300 nan 0.000 0.475 170 A N -0.197 123.006 122.820 0.639 0.000 1.933 170 A HA -0.186 4.134 4.320 -0.001 0.000 0.218 170 A C 2.283 179.922 177.584 0.091 0.000 1.175 170 A CA 2.065 54.335 52.037 0.387 0.000 0.628 170 A CB -1.244 17.957 19.000 0.335 0.000 0.814 170 A HN 0.540 nan 8.150 nan 0.000 0.444 171 S N -0.212 115.565 115.700 0.128 0.000 2.395 171 S HA -0.006 4.463 4.470 -0.001 0.000 0.225 171 S C 1.826 176.392 174.600 -0.056 0.000 1.027 171 S CA 0.990 59.190 58.200 -0.001 0.000 0.965 171 S CB -0.690 62.571 63.200 0.101 0.000 0.812 171 S HN 0.434 nan 8.310 nan 0.000 0.482 172 I N 0.221 120.727 120.570 -0.107 0.000 2.151 172 I HA -0.200 3.969 4.170 -0.001 0.000 0.243 172 I C 1.553 177.382 176.117 -0.480 0.000 1.080 172 I CA 1.525 62.612 61.300 -0.354 0.000 1.339 172 I CB -0.332 37.338 38.000 -0.549 0.000 1.039 172 I HN 0.271 nan 8.210 nan 0.000 0.409 173 Y N 0.998 121.214 120.300 -0.140 0.000 2.532 173 Y HA 0.167 4.717 4.550 -0.001 0.000 0.283 173 Y C 0.522 176.431 175.900 0.016 0.000 1.181 173 Y CA -0.590 57.452 58.100 -0.096 0.000 1.256 173 Y CB -0.524 37.843 38.460 -0.155 0.000 1.112 173 Y HN 0.028 nan 8.280 nan 0.000 0.521 174 K N 0.436 120.865 120.400 0.048 0.000 3.148 174 K HA -0.218 4.101 4.320 -0.001 0.000 0.267 174 K C -0.663 175.925 176.600 -0.020 0.000 0.996 174 K CA 0.311 56.602 56.287 0.007 0.000 0.737 174 K CB -1.893 30.628 32.500 0.035 0.000 1.308 174 K HN 0.398 nan 8.250 nan 0.000 0.470 175 L N 2.103 123.302 121.223 -0.041 0.000 2.382 175 L HA 0.015 4.355 4.340 -0.001 0.000 0.259 175 L C 1.395 178.148 176.870 -0.195 0.000 1.291 175 L CA -0.231 54.554 54.840 -0.092 0.000 1.176 175 L CB -0.221 41.844 42.059 0.010 0.000 1.373 175 L HN 0.272 nan 8.230 nan 0.000 0.426 176 D N -0.040 120.250 120.400 -0.183 0.000 2.363 176 D HA -0.144 4.496 4.640 -0.001 0.000 0.226 176 D C 1.027 177.217 176.300 -0.183 0.000 1.020 176 D CA 0.268 54.158 54.000 -0.183 0.000 0.892 176 D CB -0.092 40.622 40.800 -0.144 0.000 0.900 176 D HN 0.451 nan 8.370 nan 0.000 0.531 177 N N 0.323 118.906 118.700 -0.195 0.000 2.268 177 N HA 0.062 4.801 4.740 -0.001 0.000 0.204 177 N C -0.108 175.282 175.510 -0.202 0.000 1.124 177 N CA -0.399 52.535 53.050 -0.194 0.000 0.838 177 N CB 0.096 38.452 38.487 -0.218 0.000 0.994 177 N HN 0.203 nan 8.380 nan 0.000 0.489 178 L N 0.315 121.422 121.223 -0.193 0.000 2.341 178 L HA 0.628 4.967 4.340 -0.001 0.000 0.278 178 L C -1.286 175.507 176.870 -0.129 0.000 1.005 178 L CA -0.881 53.865 54.840 -0.156 0.000 0.818 178 L CB 2.161 44.167 42.059 -0.088 0.000 1.259 178 L HN -0.136 nan 8.230 nan 0.000 0.418 179 V N 4.408 124.279 119.914 -0.072 0.000 2.577 179 V HA 0.843 4.963 4.120 -0.001 0.000 0.303 179 V C -0.165 176.096 176.094 0.278 0.000 1.042 179 V CA -0.463 61.912 62.300 0.126 0.000 0.872 179 V CB 1.467 33.366 31.823 0.127 0.000 0.998 179 V HN 0.975 nan 8.190 nan 0.000 0.423 180 A N 5.662 128.719 122.820 0.395 0.000 2.304 180 A HA 0.919 5.238 4.320 -0.001 0.000 0.323 180 A C -0.892 176.796 177.584 0.173 0.000 1.195 180 A CA -0.398 51.784 52.037 0.241 0.000 0.826 180 A CB 0.596 19.638 19.000 0.070 0.000 1.184 180 A HN 0.700 nan 8.150 nan 0.000 0.496 181 I N 2.633 123.300 120.570 0.163 0.000 2.354 181 I HA 0.323 4.493 4.170 -0.001 0.000 0.292 181 I C -0.390 175.736 176.117 0.015 0.000 0.989 181 I CA 0.078 61.448 61.300 0.116 0.000 1.188 181 I CB 1.495 39.636 38.000 0.234 0.000 1.342 181 I HN 0.477 nan 8.210 nan 0.000 0.457 182 L N 5.180 126.362 121.223 -0.067 0.000 2.276 182 L HA 0.376 4.716 4.340 -0.001 0.000 0.286 182 L C -0.234 176.549 176.870 -0.146 0.000 1.024 182 L CA -0.592 54.164 54.840 -0.140 0.000 0.826 182 L CB 1.105 43.022 42.059 -0.237 0.000 1.211 182 L HN 0.510 nan 8.230 nan 0.000 0.422 183 D N 4.906 125.244 120.400 -0.103 0.000 2.508 183 D HA 0.111 4.751 4.640 -0.001 0.000 0.224 183 D C 0.112 176.344 176.300 -0.114 0.000 1.171 183 D CA -0.334 53.616 54.000 -0.084 0.000 1.006 183 D CB 0.439 41.227 40.800 -0.020 0.000 1.073 183 D HN 0.179 nan 8.370 nan 0.000 0.513 184 I N 3.996 124.462 120.570 -0.174 0.000 2.227 184 I HA 0.033 4.202 4.170 -0.001 0.000 0.297 184 I C 0.980 177.080 176.117 -0.029 0.000 1.173 184 I CA -0.192 61.006 61.300 -0.170 0.000 1.356 184 I CB -0.916 36.924 38.000 -0.266 0.000 1.485 184 I HN 0.270 nan 8.210 nan 0.000 0.604 185 N N 4.351 123.039 118.700 -0.021 0.000 2.235 185 N HA 0.022 4.761 4.740 -0.001 0.000 0.209 185 N C 1.052 176.522 175.510 -0.066 0.000 1.122 185 N CA -0.358 52.704 53.050 0.019 0.000 0.845 185 N CB 0.162 38.693 38.487 0.073 0.000 1.004 185 N HN 0.530 nan 8.380 nan 0.000 0.499 186 R N -1.782 118.596 120.500 -0.204 0.000 3.769 186 R HA -0.131 4.208 4.340 -0.001 0.000 0.443 186 R C -1.119 175.118 176.300 -0.104 0.000 0.647 186 R CA 1.394 57.295 56.100 -0.332 0.000 1.563 186 R CB -1.254 28.677 30.300 -0.614 0.000 2.174 186 R HN 0.357 nan 8.270 nan 0.000 0.403 187 L N -0.880 120.333 121.223 -0.018 0.000 2.388 187 L HA 0.677 5.017 4.340 -0.001 0.000 0.264 187 L C 0.874 177.770 176.870 0.044 0.000 0.998 187 L CA -0.352 54.504 54.840 0.028 0.000 0.817 187 L CB 2.141 44.246 42.059 0.077 0.000 1.338 187 L HN 0.189 nan 8.230 nan 0.000 0.414 188 G N -0.307 108.496 108.800 0.005 0.000 2.940 188 G HA2 0.190 4.150 3.960 -0.001 0.000 0.164 188 G HA3 0.190 4.150 3.960 -0.001 0.000 0.164 188 G C 0.254 175.043 174.900 -0.185 0.000 1.326 188 G CA -0.048 45.017 45.100 -0.058 0.000 1.020 188 G HN 0.649 nan 8.290 nan 0.000 0.586 189 Q N -0.964 118.606 119.800 -0.384 0.000 2.020 189 Q HA -0.064 4.276 4.340 -0.001 0.000 0.198 189 Q C 2.115 177.997 176.000 -0.198 0.000 0.974 189 Q CA 2.405 57.830 55.803 -0.631 0.000 0.829 189 Q CB -0.139 28.268 28.738 -0.552 0.000 0.894 189 Q HN 0.524 nan 8.270 nan 0.000 0.433 190 S N -1.583 114.047 115.700 -0.116 0.000 2.666 190 S HA 0.303 4.773 4.470 -0.001 0.000 0.239 190 S C -0.445 174.141 174.600 -0.023 0.000 1.031 190 S CA -0.511 57.660 58.200 -0.049 0.000 1.015 190 S CB 0.786 63.957 63.200 -0.048 0.000 0.981 190 S HN 0.306 nan 8.310 nan 0.000 0.547 191 D N 0.373 120.761 120.400 -0.020 0.000 2.764 191 D HA 0.368 5.008 4.640 -0.001 0.000 0.293 191 D C -3.243 173.057 176.300 -0.000 0.000 1.287 191 D CA -0.992 53.006 54.000 -0.003 0.000 0.768 191 D CB 1.177 41.972 40.800 -0.009 0.000 1.288 191 D HN -0.091 nan 8.370 nan 0.000 0.426 192 P HA 0.295 nan 4.420 nan 0.000 0.268 192 P C -0.925 176.373 177.300 -0.004 0.000 1.208 192 P CA -0.092 63.008 63.100 -0.001 0.000 0.777 192 P CB 0.379 32.076 31.700 -0.004 0.000 0.875 193 A N 4.753 127.574 122.820 0.002 0.000 2.386 193 A HA 0.310 4.630 4.320 -0.001 0.000 0.248 193 A C -1.250 176.344 177.584 0.018 0.000 1.082 193 A CA -0.916 51.134 52.037 0.022 0.000 0.789 193 A CB -0.917 18.119 19.000 0.059 0.000 1.025 193 A HN 0.419 nan 8.150 nan 0.000 0.490 194 P HA -0.174 nan 4.420 nan 0.000 0.216 194 P C 1.032 178.310 177.300 -0.037 0.000 1.157 194 P CA 1.362 64.450 63.100 -0.020 0.000 0.880 194 P CB 0.018 31.696 31.700 -0.036 0.000 0.791 195 L N -2.446 118.748 121.223 -0.049 0.000 2.558 195 L HA 0.006 4.346 4.340 -0.001 0.000 0.225 195 L C 1.521 178.400 176.870 0.014 0.000 1.128 195 L CA 0.236 55.011 54.840 -0.110 0.000 0.868 195 L CB -0.614 41.181 42.059 -0.440 0.000 1.006 195 L HN 0.075 nan 8.230 nan 0.000 0.454 196 Q N -0.002 119.828 119.800 0.051 0.000 2.049 196 Q HA -0.392 3.947 4.340 -0.001 0.000 0.409 196 Q C 0.570 176.600 176.000 0.051 0.000 0.726 196 Q CA 2.271 58.069 55.803 -0.009 0.000 0.896 196 Q CB -0.876 27.845 28.738 -0.028 0.000 3.134 196 Q HN 0.571 nan 8.270 nan 0.000 0.836 197 H N 0.833 119.951 119.070 0.079 0.000 2.503 197 H HA 0.178 4.734 4.556 -0.001 0.000 0.296 197 H C -0.031 175.344 175.328 0.077 0.000 1.097 197 H CA -0.263 55.822 56.048 0.062 0.000 1.055 197 H CB 0.339 30.102 29.762 0.003 0.000 1.580 197 H HN 0.178 nan 8.280 nan 0.000 0.546 198 Q N 1.439 121.353 119.800 0.190 0.000 3.026 198 Q HA 0.029 4.368 4.340 -0.001 0.000 0.258 198 Q C 0.817 176.911 176.000 0.157 0.000 1.388 198 Q CA -0.396 55.469 55.803 0.104 0.000 1.000 198 Q CB 0.473 29.214 28.738 0.004 0.000 1.634 198 Q HN 0.498 nan 8.270 nan 0.000 0.571 199 M N 0.941 120.651 119.600 0.183 0.000 2.149 199 M HA -0.186 4.293 4.480 -0.001 0.000 0.261 199 M C 1.436 177.828 176.300 0.153 0.000 1.064 199 M CA 1.466 56.888 55.300 0.204 0.000 1.102 199 M CB -0.956 31.688 32.600 0.074 0.000 1.369 199 M HN 0.488 nan 8.290 nan 0.000 0.408 200 D N 0.455 120.903 120.400 0.080 0.000 2.149 200 D HA -0.180 4.460 4.640 -0.001 0.000 0.198 200 D C 2.013 178.336 176.300 0.037 0.000 0.990 200 D CA 1.380 55.410 54.000 0.049 0.000 0.839 200 D CB -0.877 39.938 40.800 0.026 0.000 0.948 200 D HN 0.432 nan 8.370 nan 0.000 0.460 201 I N -0.685 119.881 120.570 -0.005 0.000 2.286 201 I HA -0.230 3.940 4.170 -0.001 0.000 0.245 201 I C 2.222 178.294 176.117 -0.075 0.000 1.104 201 I CA 0.680 61.930 61.300 -0.083 0.000 1.397 201 I CB -0.357 37.534 38.000 -0.181 0.000 1.072 201 I HN -0.136 nan 8.210 nan 0.000 0.417 202 Y N 1.135 121.448 120.300 0.022 0.000 2.114 202 Y HA -0.356 4.194 4.550 -0.001 0.000 0.282 202 Y C 2.840 178.768 175.900 0.047 0.000 1.165 202 Y CA 2.051 60.176 58.100 0.041 0.000 1.148 202 Y CB -0.823 37.652 38.460 0.025 0.000 0.972 202 Y HN 0.226 nan 8.280 nan 0.000 0.504 203 Q N 0.525 120.438 119.800 0.188 0.000 2.061 203 Q HA -0.232 4.107 4.340 -0.001 0.000 0.204 203 Q C 2.085 178.151 176.000 0.111 0.000 0.984 203 Q CA 2.027 57.900 55.803 0.115 0.000 0.846 203 Q CB -0.105 28.675 28.738 0.069 0.000 0.902 203 Q HN 0.396 nan 8.270 nan 0.000 0.421 204 K N -0.141 120.310 120.400 0.084 0.000 2.057 204 K HA -0.134 4.185 4.320 -0.001 0.000 0.207 204 K C 2.277 178.943 176.600 0.109 0.000 1.049 204 K CA 1.372 57.704 56.287 0.075 0.000 0.931 204 K CB -0.069 32.450 32.500 0.032 0.000 0.714 204 K HN 0.225 nan 8.250 nan 0.000 0.440 205 R N 0.267 120.827 120.500 0.100 0.000 2.073 205 R HA -0.108 4.232 4.340 -0.001 0.000 0.234 205 R C 2.578 179.075 176.300 0.328 0.000 1.134 205 R CA 1.518 57.696 56.100 0.130 0.000 0.952 205 R CB -0.566 29.715 30.300 -0.032 0.000 0.850 205 R HN 0.242 nan 8.270 nan 0.000 0.433 206 C N 0.739 120.214 119.300 0.291 0.000 2.432 206 C HA -0.082 4.378 4.460 -0.001 0.000 0.277 206 C C 2.389 177.573 174.990 0.324 0.000 1.249 206 C CA 0.761 59.922 59.018 0.239 0.000 1.725 206 C CB -0.730 27.075 27.740 0.108 0.000 2.028 206 C HN 0.525 nan 8.230 nan 0.000 0.477 207 E N 0.843 121.198 120.200 0.258 0.000 2.077 207 E HA -0.156 4.193 4.350 -0.001 0.000 0.193 207 E C 2.343 179.087 176.600 0.240 0.000 0.989 207 E CA 1.263 57.806 56.400 0.239 0.000 0.800 207 E CB -0.273 29.521 29.700 0.157 0.000 0.746 207 E HN 0.664 nan 8.360 nan 0.000 0.452 208 A N 0.457 123.421 122.820 0.239 0.000 1.978 208 A HA -0.143 4.176 4.320 -0.001 0.000 0.220 208 A C 1.543 179.228 177.584 0.168 0.000 1.170 208 A CA 1.065 53.209 52.037 0.179 0.000 0.636 208 A CB -0.478 18.627 19.000 0.175 0.000 0.810 208 A HN 0.215 nan 8.150 nan 0.000 0.448 209 F N -0.738 119.339 119.950 0.211 0.000 2.645 209 F HA 0.370 4.896 4.527 -0.001 0.000 0.300 209 F C 1.638 177.667 175.800 0.381 0.000 1.115 209 F CA 0.650 58.816 58.000 0.277 0.000 1.355 209 F CB 0.366 39.571 39.000 0.342 0.000 1.026 209 F HN 0.359 nan 8.300 nan 0.000 0.536 210 G N -0.842 108.205 108.800 0.411 0.000 2.136 210 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.242 210 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.242 210 G C -0.243 174.886 174.900 0.381 0.000 0.989 210 G CA -0.494 44.795 45.100 0.314 0.000 0.682 210 G HN 0.223 nan 8.290 nan 0.000 0.522 211 W N -0.334 121.072 121.300 0.177 0.000 2.448 211 W HA 0.673 5.333 4.660 -0.001 0.000 0.339 211 W C 0.571 177.191 176.519 0.168 0.000 1.124 211 W CA -1.203 56.237 57.345 0.158 0.000 1.262 211 W CB 0.552 30.092 29.460 0.134 0.000 1.251 211 W HN 0.254 nan 8.180 nan 0.000 0.597 212 H N 1.560 120.786 119.070 0.260 0.000 2.782 212 H HA 0.532 5.087 4.556 -0.001 0.000 0.285 212 H C -0.549 174.900 175.328 0.202 0.000 1.093 212 H CA -0.311 55.844 56.048 0.178 0.000 1.410 212 H CB 0.171 29.996 29.762 0.105 0.000 1.439 212 H HN 0.398 nan 8.280 nan 0.000 0.469 213 A N 6.386 129.106 122.820 -0.167 0.000 2.276 213 A HA 0.544 4.864 4.320 -0.001 0.000 0.316 213 A C -0.633 176.780 177.584 -0.286 0.000 1.229 213 A CA -0.740 51.228 52.037 -0.115 0.000 0.851 213 A CB 0.245 19.250 19.000 0.008 0.000 1.165 213 A HN 0.772 nan 8.150 nan 0.000 0.513 214 I N 3.623 124.074 120.570 -0.199 0.000 2.410 214 I HA 0.295 4.464 4.170 -0.001 0.000 0.286 214 I C -0.567 175.483 176.117 -0.111 0.000 1.009 214 I CA -0.250 60.950 61.300 -0.167 0.000 1.111 214 I CB 1.631 39.546 38.000 -0.141 0.000 1.262 214 I HN 0.520 nan 8.210 nan 0.000 0.443 215 I N 7.076 127.595 120.570 -0.084 0.000 2.441 215 I HA 0.334 4.503 4.170 -0.001 0.000 0.287 215 I C 0.049 176.115 176.117 -0.086 0.000 1.049 215 I CA -0.440 60.814 61.300 -0.076 0.000 1.381 215 I CB 1.108 39.080 38.000 -0.047 0.000 1.409 215 I HN 0.350 nan 8.210 nan 0.000 0.523 216 V N 1.576 121.426 119.914 -0.106 0.000 3.078 216 V HA 0.504 4.624 4.120 -0.001 0.000 0.311 216 V C -0.787 175.238 176.094 -0.115 0.000 1.138 216 V CA -0.995 61.242 62.300 -0.105 0.000 1.007 216 V CB 1.990 33.737 31.823 -0.127 0.000 1.045 216 V HN 0.674 nan 8.190 nan 0.000 0.432 217 D N 2.035 122.381 120.400 -0.090 0.000 2.336 217 D HA 0.369 5.009 4.640 -0.001 0.000 0.249 217 D C 1.210 177.441 176.300 -0.115 0.000 1.213 217 D CA 0.633 54.577 54.000 -0.094 0.000 0.870 217 D CB 1.310 42.096 40.800 -0.025 0.000 1.076 217 D HN 0.922 nan 8.370 nan 0.000 0.483 218 G N 2.885 111.546 108.800 -0.231 0.000 2.776 218 G HA2 -0.158 3.802 3.960 -0.001 0.000 0.209 218 G HA3 -0.158 3.802 3.960 -0.001 0.000 0.209 218 G C 0.823 175.556 174.900 -0.278 0.000 1.145 218 G CA 0.210 45.146 45.100 -0.274 0.000 0.791 218 G HN 0.609 nan 8.290 nan 0.000 0.530 219 H N -0.504 118.581 119.070 0.023 0.000 2.672 219 H HA 0.235 4.790 4.556 -0.001 0.000 0.277 219 H C 0.494 175.837 175.328 0.025 0.000 1.074 219 H CA -0.246 55.826 56.048 0.040 0.000 1.173 219 H CB 0.749 30.558 29.762 0.077 0.000 1.558 219 H HN 0.264 nan 8.280 nan 0.000 0.539 220 S N 1.849 117.605 115.700 0.093 0.000 2.423 220 S HA 0.202 4.672 4.470 -0.001 0.000 0.317 220 S C 1.715 176.335 174.600 0.033 0.000 1.065 220 S CA -0.485 57.746 58.200 0.052 0.000 1.111 220 S CB 0.222 63.438 63.200 0.026 0.000 0.968 220 S HN 0.166 nan 8.310 nan 0.000 0.474 221 V N 3.660 123.593 119.914 0.032 0.000 2.469 221 V HA -0.137 3.982 4.120 -0.001 0.000 0.251 221 V C 1.885 177.971 176.094 -0.015 0.000 1.064 221 V CA 1.898 64.207 62.300 0.014 0.000 1.066 221 V CB -1.162 30.660 31.823 -0.001 0.000 0.667 221 V HN 0.739 nan 8.190 nan 0.000 0.461 222 E N 0.900 121.091 120.200 -0.015 0.000 2.028 222 E HA -0.149 4.200 4.350 -0.001 0.000 0.191 222 E C 2.279 178.870 176.600 -0.015 0.000 0.988 222 E CA 1.704 58.091 56.400 -0.022 0.000 0.799 222 E CB -0.394 29.299 29.700 -0.012 0.000 0.755 222 E HN 0.742 nan 8.360 nan 0.000 0.447 223 E N 0.456 120.649 120.200 -0.012 0.000 2.110 223 E HA -0.180 4.169 4.350 -0.001 0.000 0.193 223 E C 2.155 178.731 176.600 -0.039 0.000 0.988 223 E CA 0.755 57.141 56.400 -0.024 0.000 0.804 223 E CB -0.147 29.534 29.700 -0.031 0.000 0.745 223 E HN 0.218 nan 8.360 nan 0.000 0.458 224 L N 0.354 121.563 121.223 -0.022 0.000 1.994 224 L HA -0.256 4.084 4.340 -0.001 0.000 0.208 224 L C 2.717 179.647 176.870 0.101 0.000 1.071 224 L CA 1.061 55.900 54.840 -0.003 0.000 0.745 224 L CB -0.478 41.644 42.059 0.105 0.000 0.892 224 L HN 0.306 nan 8.230 nan 0.000 0.431 225 C N -0.264 119.083 119.300 0.078 0.000 2.413 225 C HA -0.200 4.260 4.460 -0.001 0.000 0.276 225 C C 2.804 177.862 174.990 0.114 0.000 1.248 225 C CA 0.819 59.874 59.018 0.061 0.000 1.742 225 C CB -0.784 26.827 27.740 -0.215 0.000 2.017 225 C HN 0.418 nan 8.230 nan 0.000 0.481 226 K N 0.891 121.318 120.400 0.046 0.000 2.063 226 K HA -0.125 4.194 4.320 -0.001 0.000 0.208 226 K C 2.235 178.860 176.600 0.041 0.000 1.048 226 K CA 1.650 57.964 56.287 0.046 0.000 0.928 226 K CB -0.308 32.203 32.500 0.018 0.000 0.713 226 K HN 0.501 nan 8.250 nan 0.000 0.442 227 A N 0.287 123.087 122.820 -0.033 0.000 1.898 227 A HA -0.121 4.198 4.320 -0.001 0.000 0.216 227 A C 1.886 179.429 177.584 -0.069 0.000 1.181 227 A CA 1.245 53.216 52.037 -0.110 0.000 0.620 227 A CB -0.662 18.172 19.000 -0.277 0.000 0.819 227 A HN 0.216 nan 8.150 nan 0.000 0.442 228 F N 0.355 120.363 119.950 0.096 0.000 2.234 228 F HA 0.026 4.553 4.527 -0.001 0.000 0.299 228 F C 2.520 178.392 175.800 0.119 0.000 1.087 228 F CA 0.897 58.977 58.000 0.132 0.000 1.340 228 F CB -0.726 38.356 39.000 0.136 0.000 1.031 228 F HN 0.280 nan 8.300 nan 0.000 0.500 229 G N -1.016 107.948 108.800 0.272 0.000 2.650 229 G HA2 -0.059 3.901 3.960 -0.001 0.000 0.214 229 G HA3 -0.059 3.901 3.960 -0.001 0.000 0.214 229 G C 0.733 175.698 174.900 0.109 0.000 1.136 229 G CA -0.202 45.005 45.100 0.179 0.000 0.789 229 G HN 0.230 nan 8.290 nan 0.000 0.536 230 Q N 0.089 119.947 119.800 0.097 0.000 2.428 230 Q HA 0.369 4.709 4.340 -0.001 0.000 0.276 230 Q C 0.497 176.499 176.000 0.004 0.000 1.059 230 Q CA -0.289 55.550 55.803 0.060 0.000 0.923 230 Q CB 0.747 29.540 28.738 0.091 0.000 1.283 230 Q HN 0.262 nan 8.270 nan 0.000 0.447 231 A N 2.708 125.494 122.820 -0.057 0.000 2.498 231 A HA 0.108 4.427 4.320 -0.001 0.000 0.239 231 A C -0.440 176.929 177.584 -0.359 0.000 1.068 231 A CA 0.231 52.149 52.037 -0.199 0.000 0.766 231 A CB 0.243 19.138 19.000 -0.175 0.000 1.003 231 A HN 0.575 nan 8.150 nan 0.000 0.497 232 K N 1.757 121.881 120.400 -0.461 0.000 2.483 232 K HA 0.383 4.702 4.320 -0.001 0.000 0.256 232 K C -0.806 175.484 176.600 -0.516 0.000 0.961 232 K CA -0.568 55.491 56.287 -0.381 0.000 0.873 232 K CB 1.094 33.485 32.500 -0.182 0.000 1.107 232 K HN 0.810 nan 8.250 nan 0.000 0.432 233 H N 1.943 120.944 119.070 -0.114 0.000 2.784 233 H HA 0.076 4.631 4.556 -0.001 0.000 0.273 233 H C 0.009 175.274 175.328 -0.105 0.000 1.112 233 H CA 0.019 56.005 56.048 -0.103 0.000 1.162 233 H CB 1.105 30.807 29.762 -0.100 0.000 1.586 233 H HN 0.654 nan 8.280 nan 0.000 0.548 234 Q N -0.346 119.422 119.800 -0.053 0.000 2.738 234 Q HA 0.390 4.730 4.340 -0.001 0.000 0.301 234 Q C -3.409 172.462 176.000 -0.215 0.000 0.901 234 Q CA -2.167 53.570 55.803 -0.109 0.000 0.756 234 Q CB 1.710 30.419 28.738 -0.049 0.000 1.463 234 Q HN -0.202 nan 8.270 nan 0.000 0.432 235 P HA 0.098 nan 4.420 nan 0.000 0.266 235 P C -0.850 176.193 177.300 -0.429 0.000 1.195 235 P CA 0.307 62.940 63.100 -0.779 0.000 0.768 235 P CB 0.486 31.092 31.700 -1.825 0.000 0.838 236 T N 1.824 116.315 114.554 -0.105 0.000 2.792 236 T HA 0.612 4.961 4.350 -0.001 0.000 0.280 236 T C -0.390 174.603 174.700 0.488 0.000 0.990 236 T CA -0.361 61.885 62.100 0.243 0.000 0.960 236 T CB 1.168 70.136 68.868 0.168 0.000 0.939 236 T HN 0.340 nan 8.240 nan 0.000 0.439 237 A N 4.395 127.489 122.820 0.455 0.000 2.267 237 A HA 0.666 4.985 4.320 -0.001 0.000 0.315 237 A C -0.101 177.520 177.584 0.061 0.000 1.297 237 A CA -0.709 51.480 52.037 0.254 0.000 0.865 237 A CB 0.206 19.275 19.000 0.116 0.000 1.165 237 A HN 0.785 nan 8.150 nan 0.000 0.513 238 I N 4.430 125.007 120.570 0.011 0.000 2.291 238 I HA 0.203 4.372 4.170 -0.001 0.000 0.292 238 I C -0.369 175.687 176.117 -0.102 0.000 1.064 238 I CA 0.117 61.358 61.300 -0.097 0.000 1.269 238 I CB 0.554 38.427 38.000 -0.211 0.000 1.418 238 I HN 0.508 nan 8.210 nan 0.000 0.485 239 I N 6.018 126.519 120.570 -0.115 0.000 2.287 239 I HA 0.331 4.501 4.170 -0.001 0.000 0.290 239 I C 0.533 176.556 176.117 -0.157 0.000 1.069 239 I CA -0.287 60.928 61.300 -0.141 0.000 1.237 239 I CB 1.081 39.020 38.000 -0.102 0.000 1.418 239 I HN 0.579 nan 8.210 nan 0.000 0.481 240 A N 6.949 129.662 122.820 -0.178 0.000 2.258 240 A HA 0.363 4.682 4.320 -0.001 0.000 0.316 240 A C -0.039 177.406 177.584 -0.230 0.000 1.279 240 A CA -0.672 51.252 52.037 -0.187 0.000 0.876 240 A CB 0.516 19.418 19.000 -0.163 0.000 1.170 240 A HN 0.701 nan 8.150 nan 0.000 0.520 241 K N 2.484 122.729 120.400 -0.260 0.000 2.349 241 K HA 0.380 4.700 4.320 -0.001 0.000 0.288 241 K C -0.071 176.246 176.600 -0.472 0.000 1.058 241 K CA 0.487 56.550 56.287 -0.373 0.000 0.953 241 K CB 0.277 32.521 32.500 -0.426 0.000 0.997 241 K HN 0.844 nan 8.250 nan 0.000 0.477 242 T N 0.172 114.445 114.554 -0.469 0.000 2.841 242 T HA 0.544 4.893 4.350 -0.001 0.000 0.296 242 T C -0.864 173.629 174.700 -0.344 0.000 1.166 242 T CA -0.876 60.953 62.100 -0.452 0.000 1.007 242 T CB 0.692 69.373 68.868 -0.312 0.000 1.253 242 T HN 0.241 nan 8.240 nan 0.000 0.511 243 F N 0.647 120.829 119.950 0.387 0.000 2.493 243 F HA 0.576 5.103 4.527 -0.001 0.000 0.329 243 F C 0.546 176.479 175.800 0.221 0.000 1.126 243 F CA -1.080 57.095 58.000 0.293 0.000 0.937 243 F CB 2.115 41.254 39.000 0.231 0.000 1.146 243 F HN 0.564 nan 8.300 nan 0.000 0.442 244 K N 1.418 122.004 120.400 0.310 0.000 2.448 244 K HA 0.367 4.686 4.320 -0.001 0.000 0.278 244 K C 1.019 177.724 176.600 0.175 0.000 1.009 244 K CA 1.061 57.481 56.287 0.221 0.000 0.995 244 K CB 0.320 32.941 32.500 0.201 0.000 0.917 244 K HN 0.955 nan 8.250 nan 0.000 0.481 245 G N 2.679 111.548 108.800 0.116 0.000 2.160 245 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.251 245 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.251 245 G C -0.057 174.839 174.900 -0.006 0.000 1.008 245 G CA 0.440 45.552 45.100 0.020 0.000 0.724 245 G HN 0.646 nan 8.290 nan 0.000 0.514 246 R N 0.254 120.779 120.500 0.041 0.000 2.537 246 R HA 0.399 4.739 4.340 -0.001 0.000 0.281 246 R C 1.734 177.963 176.300 -0.118 0.000 0.988 246 R CA 1.645 57.707 56.100 -0.063 0.000 1.077 246 R CB -0.239 29.921 30.300 -0.233 0.000 0.932 246 R HN 1.718 nan 8.270 nan 0.000 0.409 247 G N 3.792 112.508 108.800 -0.139 0.000 2.179 247 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.260 247 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.260 247 G C 0.169 175.006 174.900 -0.106 0.000 0.977 247 G CA 0.323 45.352 45.100 -0.119 0.000 0.641 247 G HN 0.570 nan 8.290 nan 0.000 0.533 248 I N 2.713 123.210 120.570 -0.122 0.000 2.291 248 I HA 0.215 4.384 4.170 -0.001 0.000 0.290 248 I C 0.686 176.703 176.117 -0.167 0.000 1.050 248 I CA -0.572 60.637 61.300 -0.151 0.000 1.245 248 I CB 0.939 38.820 38.000 -0.199 0.000 1.405 248 I HN -0.040 nan 8.210 nan 0.000 0.478 249 T N 5.077 119.550 114.554 -0.134 0.000 2.908 249 T HA 0.135 4.484 4.350 -0.001 0.000 0.301 249 T C 1.280 175.892 174.700 -0.147 0.000 1.019 249 T CA 1.128 63.156 62.100 -0.121 0.000 1.152 249 T CB 0.740 69.557 68.868 -0.086 0.000 0.966 249 T HN 1.070 nan 8.240 nan 0.000 0.540 250 G N 1.943 110.665 108.800 -0.131 0.000 2.205 250 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.261 250 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.261 250 G C 0.723 175.497 174.900 -0.210 0.000 0.980 250 G CA 0.315 45.341 45.100 -0.124 0.000 0.632 250 G HN 0.661 nan 8.290 nan 0.000 0.533 251 V N 0.144 119.863 119.914 -0.324 0.000 3.371 251 V HA 0.276 4.395 4.120 -0.001 0.000 0.246 251 V C 1.076 177.003 176.094 -0.277 0.000 1.303 251 V CA 0.853 62.822 62.300 -0.552 0.000 1.156 251 V CB 0.776 32.033 31.823 -0.943 0.000 0.929 251 V HN 0.518 nan 8.190 nan 0.000 0.459 252 E N 1.566 121.661 120.200 -0.175 0.000 2.558 252 E HA -0.134 4.215 4.350 -0.001 0.000 0.255 252 E C 0.584 177.186 176.600 0.004 0.000 0.968 252 E CA 0.875 57.235 56.400 -0.067 0.000 0.939 252 E CB -0.030 29.611 29.700 -0.098 0.000 0.921 252 E HN 0.418 nan 8.360 nan 0.000 0.477 253 D N 2.380 122.854 120.400 0.123 0.000 3.079 253 D HA -0.185 4.454 4.640 -0.001 0.000 0.214 253 D C -1.018 175.370 176.300 0.147 0.000 1.145 253 D CA 1.218 55.339 54.000 0.201 0.000 0.958 253 D CB -0.502 40.438 40.800 0.233 0.000 1.117 253 D HN 0.510 nan 8.370 nan 0.000 0.416 254 K N 0.475 120.953 120.400 0.130 0.000 2.095 254 K HA 0.457 4.777 4.320 -0.001 0.000 0.252 254 K C 0.451 177.201 176.600 0.249 0.000 0.977 254 K CA -0.680 55.715 56.287 0.179 0.000 0.900 254 K CB 1.111 33.730 32.500 0.198 0.000 1.060 254 K HN 0.155 nan 8.250 nan 0.000 0.449 255 E N 0.146 120.474 120.200 0.214 0.000 2.345 255 E HA 0.084 4.433 4.350 -0.001 0.000 0.259 255 E C -0.215 176.505 176.600 0.199 0.000 1.117 255 E CA -0.178 56.327 56.400 0.174 0.000 0.913 255 E CB 0.733 30.494 29.700 0.102 0.000 1.057 255 E HN 0.594 nan 8.360 nan 0.000 0.432 256 S N -0.618 115.148 115.700 0.109 0.000 3.361 256 S HA -0.169 4.301 4.470 -0.001 0.000 0.288 256 S C -0.051 174.440 174.600 -0.181 0.000 1.269 256 S CA 0.963 59.142 58.200 -0.034 0.000 0.976 256 S CB -1.421 61.712 63.200 -0.112 0.000 1.162 256 S HN 0.680 nan 8.310 nan 0.000 0.643 257 W N 0.247 121.593 121.300 0.078 0.000 2.862 257 W HA 0.364 5.023 4.660 -0.001 0.000 0.376 257 W C 0.812 177.381 176.519 0.083 0.000 1.028 257 W CA -0.523 56.861 57.345 0.065 0.000 1.757 257 W CB 0.251 29.744 29.460 0.056 0.000 1.128 257 W HN 0.497 nan 8.180 nan 0.000 0.566 258 H N 0.011 119.192 119.070 0.184 0.000 2.803 258 H HA 0.388 4.943 4.556 -0.001 0.000 0.330 258 H C 1.431 176.811 175.328 0.085 0.000 1.057 258 H CA 1.435 57.586 56.048 0.172 0.000 1.458 258 H CB 0.787 30.633 29.762 0.141 0.000 1.470 258 H HN 0.235 nan 8.280 nan 0.000 0.560 259 G N 4.090 112.636 108.800 -0.423 0.000 2.179 259 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.257 259 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.257 259 G C 0.204 174.915 174.900 -0.314 0.000 1.010 259 G CA 0.618 45.339 45.100 -0.631 0.000 0.736 259 G HN 0.764 nan 8.290 nan 0.000 0.513 260 K N 1.166 121.499 120.400 -0.111 0.000 2.367 260 K HA 0.516 4.835 4.320 -0.001 0.000 0.263 260 K C -2.258 174.402 176.600 0.101 0.000 1.000 260 K CA -2.333 53.936 56.287 -0.031 0.000 0.891 260 K CB 2.067 34.511 32.500 -0.093 0.000 1.117 260 K HN 0.053 nan 8.250 nan 0.000 0.443 261 P HA 0.033 nan 4.420 nan 0.000 0.271 261 P C -0.443 176.958 177.300 0.168 0.000 1.218 261 P CA -0.200 62.948 63.100 0.079 0.000 0.780 261 P CB 0.695 32.412 31.700 0.028 0.000 0.901 262 L N 4.380 125.700 121.223 0.161 0.000 2.453 262 L HA 0.189 4.529 4.340 -0.001 0.000 0.272 262 L C -1.561 175.373 176.870 0.106 0.000 1.182 262 L CA -1.754 53.185 54.840 0.165 0.000 0.858 262 L CB -0.357 41.744 42.059 0.070 0.000 1.120 262 L HN 0.265 nan 8.230 nan 0.000 0.474 263 P HA 0.036 nan 4.420 nan 0.000 0.272 263 P C 0.249 177.575 177.300 0.044 0.000 1.230 263 P CA -0.508 62.631 63.100 0.065 0.000 0.788 263 P CB 0.955 32.694 31.700 0.065 0.000 0.949 264 K N 1.439 121.855 120.400 0.028 0.000 2.015 264 K HA -0.253 4.067 4.320 -0.001 0.000 0.216 264 K C 1.569 178.175 176.600 0.010 0.000 1.052 264 K CA 2.059 58.355 56.287 0.015 0.000 0.937 264 K CB -0.371 32.135 32.500 0.010 0.000 0.719 264 K HN 0.329 nan 8.250 nan 0.000 0.446 265 N N 0.681 119.388 118.700 0.012 0.000 2.120 265 N HA -0.185 4.554 4.740 -0.001 0.000 0.188 265 N C 1.729 177.243 175.510 0.006 0.000 1.024 265 N CA 1.431 54.485 53.050 0.007 0.000 0.852 265 N CB -0.294 38.197 38.487 0.008 0.000 1.003 265 N HN 0.334 nan 8.380 nan 0.000 0.424 266 M N 0.555 120.165 119.600 0.017 0.000 2.117 266 M HA -0.102 4.377 4.480 -0.001 0.000 0.262 266 M C 1.844 178.143 176.300 -0.003 0.000 1.065 266 M CA 1.464 56.771 55.300 0.012 0.000 1.114 266 M CB -0.012 32.611 32.600 0.038 0.000 1.361 266 M HN 0.175 nan 8.290 nan 0.000 0.408 267 A N 0.463 123.286 122.820 0.005 0.000 1.902 267 A HA -0.138 4.181 4.320 -0.001 0.000 0.217 267 A C 2.037 179.612 177.584 -0.016 0.000 1.181 267 A CA 2.294 54.328 52.037 -0.005 0.000 0.623 267 A CB -1.418 17.585 19.000 0.005 0.000 0.818 267 A HN 0.659 nan 8.150 nan 0.000 0.443 268 E N -1.437 118.753 120.200 -0.016 0.000 2.077 268 E HA -0.185 4.164 4.350 -0.001 0.000 0.193 268 E C 2.289 178.872 176.600 -0.028 0.000 0.989 268 E CA 2.564 58.948 56.400 -0.027 0.000 0.800 268 E CB -1.478 28.206 29.700 -0.026 0.000 0.746 268 E HN 0.948 nan 8.360 nan 0.000 0.452 269 Q N 0.282 120.069 119.800 -0.021 0.000 2.084 269 Q HA -0.007 4.333 4.340 -0.001 0.000 0.202 269 Q C 2.408 178.395 176.000 -0.023 0.000 0.978 269 Q CA 1.654 57.445 55.803 -0.020 0.000 0.844 269 Q CB -0.506 28.222 28.738 -0.017 0.000 0.898 269 Q HN 0.635 nan 8.270 nan 0.000 0.426 270 I N 0.317 120.869 120.570 -0.030 0.000 2.252 270 I HA -0.171 3.999 4.170 -0.001 0.000 0.245 270 I C 2.511 178.615 176.117 -0.021 0.000 1.102 270 I CA 1.080 62.358 61.300 -0.037 0.000 1.385 270 I CB -1.002 36.963 38.000 -0.058 0.000 1.064 270 I HN 0.387 nan 8.210 nan 0.000 0.414 271 I N 0.533 121.093 120.570 -0.017 0.000 2.226 271 I HA -0.342 3.828 4.170 -0.001 0.000 0.245 271 I C 2.678 178.809 176.117 0.024 0.000 1.100 271 I CA 1.250 62.549 61.300 -0.002 0.000 1.374 271 I CB -0.250 37.735 38.000 -0.026 0.000 1.057 271 I HN 0.271 nan 8.210 nan 0.000 0.413 272 Q N 1.413 121.213 119.800 0.001 0.000 2.050 272 Q HA -0.284 4.055 4.340 -0.001 0.000 0.202 272 Q C 1.984 178.020 176.000 0.061 0.000 0.980 272 Q CA 2.098 57.914 55.803 0.022 0.000 0.840 272 Q CB -0.302 28.431 28.738 -0.008 0.000 0.898 272 Q HN 0.486 nan 8.270 nan 0.000 0.424 273 E N -0.544 119.670 120.200 0.024 0.000 2.077 273 E HA -0.171 4.179 4.350 -0.001 0.000 0.193 273 E C 1.922 178.533 176.600 0.019 0.000 0.989 273 E CA 1.376 57.784 56.400 0.014 0.000 0.800 273 E CB -0.186 29.506 29.700 -0.014 0.000 0.746 273 E HN 0.551 nan 8.360 nan 0.000 0.452 274 I N -0.006 120.579 120.570 0.026 0.000 2.252 274 I HA -0.255 3.915 4.170 -0.001 0.000 0.245 274 I C 2.251 178.399 176.117 0.052 0.000 1.102 274 I CA 0.997 62.309 61.300 0.020 0.000 1.385 274 I CB -0.353 37.656 38.000 0.015 0.000 1.064 274 I HN 0.216 nan 8.210 nan 0.000 0.414 275 Y N 1.901 122.177 120.300 -0.039 0.000 2.207 275 Y HA -0.329 4.220 4.550 -0.001 0.000 0.287 275 Y C 2.897 178.777 175.900 -0.034 0.000 1.156 275 Y CA 1.768 59.846 58.100 -0.036 0.000 1.182 275 Y CB -0.290 38.151 38.460 -0.032 0.000 0.979 275 Y HN 0.265 nan 8.280 nan 0.000 0.521 276 S N -0.813 114.936 115.700 0.082 0.000 2.500 276 S HA -0.181 4.289 4.470 -0.001 0.000 0.239 276 S C 1.536 176.101 174.600 -0.058 0.000 0.989 276 S CA 1.074 59.279 58.200 0.007 0.000 0.951 276 S CB -0.310 62.908 63.200 0.029 0.000 0.759 276 S HN 0.552 nan 8.310 nan 0.000 0.523 277 Q N 0.316 120.074 119.800 -0.071 0.000 2.424 277 Q HA 0.337 4.676 4.340 -0.001 0.000 0.204 277 Q C 0.356 176.285 176.000 -0.118 0.000 0.933 277 Q CA 0.190 55.945 55.803 -0.080 0.000 0.929 277 Q CB 0.050 28.750 28.738 -0.063 0.000 1.037 277 Q HN 0.630 nan 8.270 nan 0.000 0.511 278 I N 1.720 122.176 120.570 -0.189 0.000 2.352 278 I HA -0.007 4.162 4.170 -0.001 0.000 0.290 278 I C 1.296 177.285 176.117 -0.212 0.000 1.036 278 I CA 0.140 61.304 61.300 -0.227 0.000 1.336 278 I CB 1.018 38.801 38.000 -0.362 0.000 1.407 278 I HN 0.044 nan 8.210 nan 0.000 0.497 279 Q N 2.962 122.673 119.800 -0.149 0.000 2.250 279 Q HA 0.059 4.398 4.340 -0.001 0.000 0.200 279 Q C 0.509 176.440 176.000 -0.115 0.000 0.941 279 Q CA 0.508 56.241 55.803 -0.118 0.000 0.872 279 Q CB 0.573 29.261 28.738 -0.082 0.000 0.965 279 Q HN 0.671 nan 8.270 nan 0.000 0.480 280 S N -0.871 114.756 115.700 -0.121 0.000 2.541 280 S HA 0.309 4.779 4.470 -0.001 0.000 0.280 280 S C -0.267 174.265 174.600 -0.114 0.000 1.112 280 S CA -0.718 57.421 58.200 -0.101 0.000 0.925 280 S CB 1.432 64.587 63.200 -0.076 0.000 1.067 280 S HN 0.024 nan 8.310 nan 0.000 0.479 281 K N 1.444 121.788 120.400 -0.092 0.000 2.459 281 K HA 0.130 4.450 4.320 -0.001 0.000 0.193 281 K C 0.416 176.972 176.600 -0.072 0.000 1.030 281 K CA 0.181 56.420 56.287 -0.079 0.000 1.026 281 K CB 0.089 32.563 32.500 -0.044 0.000 0.809 281 K HN 0.418 nan 8.250 nan 0.000 0.504 282 K N 2.463 122.821 120.400 -0.070 0.000 2.378 282 K HA 0.025 4.345 4.320 -0.001 0.000 0.288 282 K C -0.677 175.870 176.600 -0.088 0.000 1.057 282 K CA 0.126 56.376 56.287 -0.062 0.000 0.971 282 K CB 0.474 32.945 32.500 -0.048 0.000 0.975 282 K HN -0.100 nan 8.250 nan 0.000 0.475 283 K N 4.040 124.385 120.400 -0.092 0.000 2.237 283 K HA 0.183 4.502 4.320 -0.001 0.000 0.270 283 K C 0.178 176.705 176.600 -0.121 0.000 1.015 283 K CA -0.284 55.916 56.287 -0.145 0.000 0.949 283 K CB 0.778 33.201 32.500 -0.128 0.000 0.976 283 K HN 0.497 nan 8.250 nan 0.000 0.472 284 I N 3.153 123.610 120.570 -0.188 0.000 2.581 284 I HA 0.125 4.295 4.170 -0.001 0.000 0.288 284 I C 0.173 176.337 176.117 0.078 0.000 1.047 284 I CA -0.500 60.769 61.300 -0.052 0.000 1.374 284 I CB 0.526 38.518 38.000 -0.013 0.000 1.423 284 I HN 0.270 nan 8.210 nan 0.000 0.549 285 L N 4.629 125.916 121.223 0.107 0.000 2.343 285 L HA 0.566 4.905 4.340 -0.001 0.000 0.275 285 L C 0.390 177.312 176.870 0.087 0.000 1.056 285 L CA -0.759 54.146 54.840 0.109 0.000 0.804 285 L CB 1.478 43.557 42.059 0.034 0.000 1.203 285 L HN 0.658 nan 8.230 nan 0.000 0.440 286 A N 1.584 124.390 122.820 -0.024 0.000 2.388 286 A HA 0.451 4.771 4.320 -0.001 0.000 0.257 286 A C 0.065 177.459 177.584 -0.318 0.000 1.095 286 A CA -0.178 51.663 52.037 -0.326 0.000 0.791 286 A CB 0.112 18.676 19.000 -0.727 0.000 1.029 286 A HN 0.685 nan 8.150 nan 0.000 0.489 287 T N 5.360 119.709 114.554 -0.342 0.000 2.771 287 T HA 0.489 4.839 4.350 -0.001 0.000 0.291 287 T C -2.365 172.173 174.700 -0.270 0.000 0.954 287 T CA -0.760 61.197 62.100 -0.237 0.000 1.045 287 T CB 0.905 69.665 68.868 -0.179 0.000 0.917 287 T HN 0.566 nan 8.240 nan 0.000 0.484 288 P HA 0.305 nan 4.420 nan 0.000 0.274 288 P C -2.613 174.648 177.300 -0.064 0.000 1.246 288 P CA -1.634 61.393 63.100 -0.121 0.000 0.795 288 P CB -0.217 31.440 31.700 -0.070 0.000 1.006 289 P HA 0.215 nan 4.420 nan 0.000 0.280 289 P C -0.768 176.535 177.300 0.004 0.000 1.272 289 P CA -0.585 62.534 63.100 0.032 0.000 0.819 289 P CB 0.725 32.493 31.700 0.114 0.000 1.122 290 Q N 0.608 120.416 119.800 0.013 0.000 2.296 290 Q HA 0.090 4.430 4.340 -0.001 0.000 0.262 290 Q C -0.342 175.628 176.000 -0.050 0.000 0.981 290 Q CA 0.030 55.820 55.803 -0.021 0.000 0.905 290 Q CB 0.258 28.995 28.738 -0.002 0.000 1.186 290 Q HN 0.325 nan 8.270 nan 0.000 0.399 291 E N 4.174 124.247 120.200 -0.212 0.000 2.127 291 E HA 0.039 4.389 4.350 -0.001 0.000 0.262 291 E C -0.891 175.480 176.600 -0.381 0.000 1.144 291 E CA -0.136 55.845 56.400 -0.699 0.000 1.144 291 E CB 0.317 29.493 29.700 -0.874 0.000 1.297 291 E HN 0.613 nan 8.360 nan 0.000 0.469 292 D N -0.050 120.399 120.400 0.082 0.000 2.479 292 D HA 0.111 4.750 4.640 -0.001 0.000 0.218 292 D C 0.418 176.874 176.300 0.260 0.000 1.177 292 D CA -0.490 53.597 54.000 0.146 0.000 0.830 292 D CB 0.298 41.143 40.800 0.076 0.000 1.014 292 D HN 0.179 nan 8.370 nan 0.000 0.503 293 A N 1.767 124.866 122.820 0.464 0.000 2.440 293 A HA 0.527 4.847 4.320 -0.001 0.000 0.251 293 A C -2.078 175.625 177.584 0.199 0.000 1.089 293 A CA -0.921 51.262 52.037 0.243 0.000 0.779 293 A CB 0.104 19.148 19.000 0.074 0.000 1.022 293 A HN 0.110 nan 8.150 nan 0.000 0.492 294 P HA 0.230 nan 4.420 nan 0.000 0.274 294 P C -0.099 177.248 177.300 0.079 0.000 1.256 294 P CA -0.333 62.830 63.100 0.106 0.000 0.795 294 P CB 0.618 32.372 31.700 0.090 0.000 1.038 295 S N -0.465 115.277 115.700 0.070 0.000 2.580 295 S HA 0.365 4.835 4.470 -0.001 0.000 0.274 295 S C 0.014 174.639 174.600 0.043 0.000 1.329 295 S CA -0.687 57.544 58.200 0.051 0.000 1.036 295 S CB 0.800 64.030 63.200 0.051 0.000 0.919 295 S HN 0.428 nan 8.310 nan 0.000 0.515 296 V N 1.754 121.687 119.914 0.031 0.000 2.540 296 V HA 0.380 4.499 4.120 -0.001 0.000 0.302 296 V C -0.827 175.280 176.094 0.021 0.000 1.035 296 V CA -0.835 61.481 62.300 0.027 0.000 0.873 296 V CB 1.706 33.543 31.823 0.025 0.000 0.992 296 V HN 1.062 nan 8.190 nan 0.000 0.428 297 D N 3.955 124.367 120.400 0.020 0.000 2.382 297 D HA 0.189 4.828 4.640 -0.001 0.000 0.245 297 D C 0.977 177.286 176.300 0.016 0.000 1.120 297 D CA 0.155 54.166 54.000 0.018 0.000 0.890 297 D CB 1.203 42.013 40.800 0.017 0.000 1.201 297 D HN 0.600 nan 8.370 nan 0.000 0.433 298 I N 0.245 120.824 120.570 0.016 0.000 3.956 298 I HA 0.418 4.587 4.170 -0.001 0.000 0.333 298 I C 0.765 176.892 176.117 0.017 0.000 1.302 298 I CA -0.656 60.652 61.300 0.014 0.000 1.122 298 I CB 0.197 38.205 38.000 0.013 0.000 1.013 298 I HN 0.183 nan 8.210 nan 0.000 0.405 299 A N 1.755 124.586 122.820 0.018 0.000 2.445 299 A HA 0.221 4.540 4.320 -0.001 0.000 0.242 299 A C 0.209 177.807 177.584 0.023 0.000 1.075 299 A CA -0.195 51.854 52.037 0.020 0.000 0.777 299 A CB -0.096 18.915 19.000 0.019 0.000 1.013 299 A HN 0.443 nan 8.150 nan 0.000 0.493 300 N N 0.057 118.773 118.700 0.026 0.000 2.225 300 N HA -0.012 4.728 4.740 -0.001 0.000 0.257 300 N C -0.427 175.101 175.510 0.031 0.000 1.252 300 N CA 0.845 53.914 53.050 0.032 0.000 0.833 300 N CB -0.046 38.461 38.487 0.033 0.000 1.068 300 N HN 0.503 nan 8.380 nan 0.000 0.468 301 I N 2.958 123.551 120.570 0.037 0.000 2.312 301 I HA 0.258 4.427 4.170 -0.001 0.000 0.290 301 I C 0.724 176.861 176.117 0.033 0.000 1.008 301 I CA -0.425 60.895 61.300 0.033 0.000 1.226 301 I CB 0.875 38.899 38.000 0.040 0.000 1.371 301 I HN 0.148 nan 8.210 nan 0.000 0.468 302 R N 5.679 126.194 120.500 0.025 0.000 2.604 302 R HA 0.544 4.884 4.340 -0.001 0.000 0.287 302 R C -0.383 175.927 176.300 0.016 0.000 0.970 302 R CA -1.169 54.945 56.100 0.023 0.000 0.946 302 R CB 1.636 31.949 30.300 0.022 0.000 1.127 302 R HN 0.440 nan 8.270 nan 0.000 0.473 303 M N 3.788 123.396 119.600 0.013 0.000 2.251 303 M HA 0.013 4.493 4.480 -0.001 0.000 0.343 303 M C -1.276 175.028 176.300 0.007 0.000 1.245 303 M CA -1.478 53.827 55.300 0.007 0.000 1.061 303 M CB 0.092 32.694 32.600 0.003 0.000 1.723 303 M HN 0.368 nan 8.290 nan 0.000 0.449 304 P HA -0.068 nan 4.420 nan 0.000 0.222 304 P C -0.060 177.231 177.300 -0.014 0.000 1.147 304 P CA 0.883 63.982 63.100 -0.002 0.000 0.790 304 P CB 0.190 31.888 31.700 -0.003 0.000 0.780 305 S N -2.492 113.197 115.700 -0.018 0.000 2.656 305 S HA 0.483 4.952 4.470 -0.001 0.000 0.273 305 S C -0.463 174.128 174.600 -0.016 0.000 1.168 305 S CA -1.068 57.118 58.200 -0.022 0.000 0.817 305 S CB 0.718 63.895 63.200 -0.039 0.000 1.146 305 S HN -0.115 nan 8.310 nan 0.000 0.475 306 L N 1.364 122.580 121.223 -0.011 0.000 2.479 306 L HA 0.339 4.679 4.340 -0.001 0.000 0.270 306 L C -2.174 174.689 176.870 -0.011 0.000 1.236 306 L CA -1.704 53.138 54.840 0.003 0.000 0.823 306 L CB -0.079 41.986 42.059 0.010 0.000 1.098 306 L HN 0.482 nan 8.230 nan 0.000 0.500 307 P HA -0.009 nan 4.420 nan 0.000 0.267 307 P C -0.595 176.672 177.300 -0.054 0.000 1.200 307 P CA -0.019 63.085 63.100 0.006 0.000 0.772 307 P CB 0.583 32.374 31.700 0.151 0.000 0.855 308 S N 0.406 115.975 115.700 -0.220 0.000 2.592 308 S HA 0.296 4.766 4.470 -0.001 0.000 0.243 308 S C -0.216 174.215 174.600 -0.281 0.000 1.160 308 S CA -0.503 57.574 58.200 -0.205 0.000 1.145 308 S CB -0.874 62.203 63.200 -0.205 0.000 0.909 308 S HN 0.171 nan 8.310 nan 0.000 0.487 309 Y N 1.882 122.185 120.300 0.005 0.000 2.289 309 Y HA 0.532 5.082 4.550 -0.001 0.000 0.332 309 Y C 0.739 176.645 175.900 0.010 0.000 1.324 309 Y CA -0.769 57.334 58.100 0.005 0.000 1.478 309 Y CB 0.608 39.078 38.460 0.016 0.000 1.378 309 Y HN 0.175 nan 8.280 nan 0.000 0.558 310 K N 0.921 121.438 120.400 0.194 0.000 2.450 310 K HA 0.430 4.750 4.320 -0.001 0.000 0.257 310 K C -1.452 175.202 176.600 0.090 0.000 0.953 310 K CA -0.584 55.765 56.287 0.103 0.000 0.844 310 K CB 1.142 33.678 32.500 0.061 0.000 1.103 310 K HN 0.497 nan 8.250 nan 0.000 0.429 311 V N 3.497 123.455 119.914 0.073 0.000 2.726 311 V HA -0.062 4.058 4.120 -0.001 0.000 0.304 311 V C 1.516 177.626 176.094 0.026 0.000 1.115 311 V CA 2.104 64.431 62.300 0.045 0.000 1.264 311 V CB 0.463 32.306 31.823 0.033 0.000 0.867 311 V HN 1.210 nan 8.190 nan 0.000 0.498 312 G N 3.725 112.532 108.800 0.012 0.000 2.336 312 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.233 312 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.233 312 G C 0.080 174.979 174.900 -0.003 0.000 1.053 312 G CA 0.186 45.287 45.100 0.002 0.000 0.625 312 G HN 0.695 nan 8.290 nan 0.000 0.511 313 D N 1.455 121.861 120.400 0.010 0.000 2.378 313 D HA 0.470 5.109 4.640 -0.001 0.000 0.238 313 D C 0.672 176.959 176.300 -0.023 0.000 1.180 313 D CA 0.505 54.509 54.000 0.007 0.000 0.895 313 D CB 0.443 41.267 40.800 0.041 0.000 1.192 313 D HN 0.386 nan 8.370 nan 0.000 0.438 314 K N 1.192 121.571 120.400 -0.035 0.000 2.323 314 K HA 0.630 4.950 4.320 -0.001 0.000 0.259 314 K C -0.616 175.936 176.600 -0.080 0.000 0.947 314 K CA -0.637 55.607 56.287 -0.072 0.000 0.819 314 K CB 2.133 34.592 32.500 -0.068 0.000 1.109 314 K HN 0.372 nan 8.250 nan 0.000 0.429 315 I N 1.190 121.687 120.570 -0.122 0.000 2.722 315 I HA 0.314 4.483 4.170 -0.001 0.000 0.292 315 I C -1.185 174.840 176.117 -0.154 0.000 1.267 315 I CA -0.661 60.559 61.300 -0.134 0.000 1.036 315 I CB 1.943 39.861 38.000 -0.137 0.000 1.281 315 I HN 0.769 nan 8.210 nan 0.000 0.423 316 A N 3.581 126.318 122.820 -0.139 0.000 2.425 316 A HA 0.353 4.673 4.320 -0.001 0.000 0.249 316 A C 1.247 178.769 177.584 -0.102 0.000 1.084 316 A CA 0.403 52.372 52.037 -0.113 0.000 0.781 316 A CB 0.409 19.361 19.000 -0.079 0.000 1.019 316 A HN 0.892 nan 8.150 nan 0.000 0.490 317 T N 0.290 114.805 114.554 -0.066 0.000 2.881 317 T HA -0.236 4.114 4.350 -0.001 0.000 0.270 317 T C 1.661 176.372 174.700 0.018 0.000 1.068 317 T CA 1.417 63.497 62.100 -0.034 0.000 1.131 317 T CB -0.434 68.436 68.868 0.002 0.000 0.871 317 T HN 0.847 nan 8.240 nan 0.000 0.479 318 R N 1.653 122.174 120.500 0.034 0.000 2.083 318 R HA -0.028 4.312 4.340 -0.001 0.000 0.237 318 R C 2.568 179.016 176.300 0.246 0.000 1.137 318 R CA 1.572 57.766 56.100 0.157 0.000 0.951 318 R CB -0.481 29.926 30.300 0.178 0.000 0.851 318 R HN 0.393 nan 8.270 nan 0.000 0.434 319 K N 0.786 121.175 120.400 -0.018 0.000 2.057 319 K HA -0.068 4.252 4.320 -0.001 0.000 0.206 319 K C 2.263 178.780 176.600 -0.138 0.000 1.050 319 K CA 1.273 57.301 56.287 -0.432 0.000 0.935 319 K CB -0.236 31.753 32.500 -0.852 0.000 0.715 319 K HN 0.301 nan 8.250 nan 0.000 0.439 320 A N 0.634 123.416 122.820 -0.064 0.000 1.948 320 A HA -0.237 4.083 4.320 -0.001 0.000 0.220 320 A C 2.036 179.667 177.584 0.079 0.000 1.177 320 A CA 1.706 53.752 52.037 0.015 0.000 0.636 320 A CB -0.919 18.022 19.000 -0.098 0.000 0.815 320 A HN 0.635 nan 8.150 nan 0.000 0.449 321 Y N 0.606 120.905 120.300 -0.001 0.000 2.089 321 Y HA -0.044 4.505 4.550 -0.001 0.000 0.282 321 Y C 2.469 178.397 175.900 0.048 0.000 1.139 321 Y CA 1.682 59.789 58.100 0.012 0.000 1.123 321 Y CB -0.980 37.496 38.460 0.026 0.000 0.980 321 Y HN 0.200 nan 8.280 nan 0.000 0.493 322 G N -0.173 108.633 108.800 0.009 0.000 2.469 322 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.219 322 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.219 322 G C 1.466 176.333 174.900 -0.055 0.000 1.150 322 G CA 1.169 46.253 45.100 -0.028 0.000 0.763 322 G HN 0.556 nan 8.290 nan 0.000 0.561 323 Q N 0.034 119.823 119.800 -0.018 0.000 2.079 323 Q HA 0.045 4.385 4.340 -0.001 0.000 0.200 323 Q C 3.054 179.039 176.000 -0.025 0.000 0.974 323 Q CA 1.207 57.008 55.803 -0.003 0.000 0.840 323 Q CB -0.249 28.509 28.738 0.033 0.000 0.898 323 Q HN 0.488 nan 8.270 nan 0.000 0.430 324 A N 0.780 123.566 122.820 -0.056 0.000 1.898 324 A HA -0.165 4.155 4.320 -0.001 0.000 0.216 324 A C 2.036 179.524 177.584 -0.159 0.000 1.181 324 A CA 1.036 53.026 52.037 -0.079 0.000 0.620 324 A CB -0.595 18.364 19.000 -0.068 0.000 0.819 324 A HN 0.331 nan 8.150 nan 0.000 0.442 325 L N -0.125 120.908 121.223 -0.317 0.000 2.046 325 L HA -0.084 4.256 4.340 -0.001 0.000 0.208 325 L C 2.690 179.590 176.870 0.050 0.000 1.077 325 L CA 2.205 56.836 54.840 -0.347 0.000 0.747 325 L CB -0.793 40.890 42.059 -0.626 0.000 0.896 325 L HN 0.348 nan 8.230 nan 0.000 0.432 326 A N -0.795 122.104 122.820 0.131 0.000 1.902 326 A HA -0.267 4.053 4.320 -0.001 0.000 0.217 326 A C 2.471 180.182 177.584 0.211 0.000 1.181 326 A CA 2.023 54.174 52.037 0.190 0.000 0.623 326 A CB -0.599 18.439 19.000 0.064 0.000 0.818 326 A HN 0.502 nan 8.150 nan 0.000 0.443 327 K N -0.893 119.589 120.400 0.137 0.000 2.025 327 K HA -0.089 4.231 4.320 -0.001 0.000 0.207 327 K C 1.899 178.571 176.600 0.121 0.000 1.049 327 K CA 1.363 57.748 56.287 0.164 0.000 0.933 327 K CB -0.275 32.252 32.500 0.045 0.000 0.714 327 K HN 0.320 nan 8.250 nan 0.000 0.438 328 L N 0.967 122.204 121.223 0.023 0.000 2.131 328 L HA -0.051 4.289 4.340 -0.001 0.000 0.210 328 L C 2.081 178.933 176.870 -0.030 0.000 1.092 328 L CA 2.017 56.847 54.840 -0.018 0.000 0.759 328 L CB -0.853 41.147 42.059 -0.099 0.000 0.903 328 L HN 0.319 nan 8.230 nan 0.000 0.435 329 G N -2.003 106.769 108.800 -0.046 0.000 2.462 329 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.220 329 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.220 329 G C 1.404 175.949 174.900 -0.591 0.000 1.121 329 G CA 0.753 45.629 45.100 -0.374 0.000 0.758 329 G HN 0.555 nan 8.290 nan 0.000 0.559 330 H N 0.144 119.142 119.070 -0.119 0.000 2.529 330 H HA 0.175 4.731 4.556 -0.001 0.000 0.277 330 H C 2.701 178.002 175.328 -0.045 0.000 0.999 330 H CA 0.822 56.859 56.048 -0.018 0.000 1.256 330 H CB 0.166 29.959 29.762 0.051 0.000 1.402 330 H HN 0.435 nan 8.280 nan 0.000 0.566 331 A N 0.174 123.024 122.820 0.049 0.000 1.975 331 A HA 0.061 4.381 4.320 -0.001 0.000 0.215 331 A C 1.139 178.721 177.584 -0.002 0.000 1.170 331 A CA 0.596 52.649 52.037 0.026 0.000 0.656 331 A CB 0.338 19.350 19.000 0.020 0.000 0.821 331 A HN 0.195 nan 8.150 nan 0.000 0.449 332 S N -0.708 114.969 115.700 -0.039 0.000 2.562 332 S HA 0.344 4.814 4.470 -0.001 0.000 0.274 332 S C -0.433 174.119 174.600 -0.081 0.000 1.160 332 S CA -0.020 58.156 58.200 -0.040 0.000 0.933 332 S CB 1.280 64.471 63.200 -0.016 0.000 1.100 332 S HN 0.371 nan 8.310 nan 0.000 0.468 333 D N 3.773 124.131 120.400 -0.069 0.000 2.378 333 D HA -0.029 4.611 4.640 -0.001 0.000 0.227 333 D C 1.178 177.418 176.300 -0.099 0.000 1.012 333 D CA 0.295 54.242 54.000 -0.089 0.000 0.905 333 D CB -0.020 40.751 40.800 -0.049 0.000 0.895 333 D HN 0.552 nan 8.370 nan 0.000 0.532 334 R N -0.139 120.319 120.500 -0.070 0.000 2.193 334 R HA 0.112 4.451 4.340 -0.001 0.000 0.213 334 R C 0.565 176.823 176.300 -0.069 0.000 1.055 334 R CA 0.108 56.164 56.100 -0.073 0.000 0.995 334 R CB 0.129 30.414 30.300 -0.025 0.000 0.893 334 R HN 0.171 nan 8.270 nan 0.000 0.459 335 I N 3.643 124.197 120.570 -0.025 0.000 2.505 335 I HA 0.068 4.238 4.170 -0.001 0.000 0.287 335 I C 0.562 176.701 176.117 0.037 0.000 1.104 335 I CA -0.092 61.233 61.300 0.041 0.000 1.387 335 I CB -0.355 37.680 38.000 0.059 0.000 1.404 335 I HN 0.128 nan 8.210 nan 0.000 0.528 336 I N 3.293 123.847 120.570 -0.027 0.000 2.693 336 I HA 0.933 5.103 4.170 -0.001 0.000 0.303 336 I C -0.483 175.489 176.117 -0.243 0.000 1.025 336 I CA -0.877 60.371 61.300 -0.087 0.000 1.086 336 I CB 2.290 40.213 38.000 -0.129 0.000 1.268 336 I HN 0.509 nan 8.210 nan 0.000 0.440 337 A N 5.364 127.934 122.820 -0.416 0.000 2.371 337 A HA 0.869 5.189 4.320 -0.001 0.000 0.311 337 A C -1.241 176.076 177.584 -0.444 0.000 1.068 337 A CA -0.522 51.219 52.037 -0.493 0.000 0.744 337 A CB 1.441 19.868 19.000 -0.955 0.000 1.239 337 A HN 0.629 nan 8.150 nan 0.000 0.435 338 L N 1.568 122.599 121.223 -0.320 0.000 2.370 338 L HA 0.740 5.080 4.340 -0.001 0.000 0.266 338 L C -0.433 176.293 176.870 -0.240 0.000 1.002 338 L CA -0.247 54.360 54.840 -0.388 0.000 0.818 338 L CB 2.209 44.154 42.059 -0.190 0.000 1.325 338 L HN 0.756 nan 8.230 nan 0.000 0.418 339 D N 0.403 120.650 120.400 -0.255 0.000 2.736 339 D HA 0.384 5.023 4.640 -0.001 0.000 0.223 339 D C -0.530 175.766 176.300 -0.007 0.000 1.231 339 D CA -0.467 53.524 54.000 -0.014 0.000 0.818 339 D CB 2.861 43.770 40.800 0.181 0.000 1.587 339 D HN 0.647 nan 8.370 nan 0.000 0.463 340 G N 1.723 110.539 108.800 0.026 0.000 3.860 340 G HA2 0.274 4.233 3.960 -0.001 0.000 0.269 340 G HA3 0.274 4.233 3.960 -0.001 0.000 0.269 340 G C 0.434 175.336 174.900 0.004 0.000 1.112 340 G CA -0.041 45.065 45.100 0.011 0.000 1.674 340 G HN 0.593 nan 8.290 nan 0.000 0.628 341 D N 0.305 120.708 120.400 0.005 0.000 2.945 341 D HA -0.198 4.442 4.640 -0.001 0.000 0.225 341 D C 1.397 177.712 176.300 0.026 0.000 1.158 341 D CA 1.922 55.930 54.000 0.014 0.000 0.805 341 D CB -1.144 39.675 40.800 0.033 0.000 1.098 341 D HN 0.556 nan 8.370 nan 0.000 0.426 342 T N -3.019 111.576 114.554 0.068 0.000 3.231 342 T HA 0.152 4.502 4.350 -0.001 0.000 0.292 342 T C 1.522 176.294 174.700 0.119 0.000 1.001 342 T CA 0.121 62.288 62.100 0.111 0.000 0.920 342 T CB 0.219 69.206 68.868 0.198 0.000 1.140 342 T HN 0.394 nan 8.240 nan 0.000 0.525 343 K N 2.446 122.915 120.400 0.115 0.000 2.209 343 K HA -0.160 4.160 4.320 -0.001 0.000 0.204 343 K C 1.832 178.417 176.600 -0.024 0.000 1.048 343 K CA 1.598 57.956 56.287 0.120 0.000 0.940 343 K CB -0.446 32.147 32.500 0.154 0.000 0.729 343 K HN 0.415 nan 8.250 nan 0.000 0.451 344 N N 0.814 119.468 118.700 -0.077 0.000 2.409 344 N HA -0.054 4.685 4.740 -0.001 0.000 0.179 344 N C 1.014 176.273 175.510 -0.419 0.000 1.032 344 N CA 1.063 53.985 53.050 -0.214 0.000 0.898 344 N CB 0.040 38.459 38.487 -0.113 0.000 0.971 344 N HN 0.160 nan 8.380 nan 0.000 0.441 345 S N -0.102 115.472 115.700 -0.211 0.000 2.468 345 S HA -0.025 4.444 4.470 -0.001 0.000 0.226 345 S C 1.818 176.347 174.600 -0.120 0.000 1.051 345 S CA 1.006 59.111 58.200 -0.159 0.000 0.943 345 S CB -0.090 63.162 63.200 0.087 0.000 0.810 345 S HN 0.727 nan 8.310 nan 0.000 0.509 346 T N -1.270 113.285 114.554 0.000 0.000 3.100 346 T HA 0.185 4.535 4.350 -0.001 0.000 0.253 346 T C 0.538 175.461 174.700 0.371 0.000 1.118 346 T CA 0.048 62.255 62.100 0.179 0.000 1.058 346 T CB -0.611 68.388 68.868 0.219 0.000 0.953 346 T HN 0.215 nan 8.240 nan 0.000 0.515 347 F N 1.243 121.313 119.950 0.201 0.000 2.953 347 F HA -0.274 4.253 4.527 -0.001 0.000 0.292 347 F C 1.747 177.654 175.800 0.178 0.000 0.747 347 F CA 0.499 58.600 58.000 0.168 0.000 1.222 347 F CB -2.544 36.540 39.000 0.139 0.000 1.457 347 F HN 0.460 nan 8.300 nan 0.000 0.383 348 S N 0.158 116.064 115.700 0.342 0.000 2.507 348 S HA -0.170 4.299 4.470 -0.001 0.000 0.235 348 S C 1.684 176.439 174.600 0.258 0.000 0.988 348 S CA 0.924 59.329 58.200 0.342 0.000 0.944 348 S CB -0.459 63.008 63.200 0.445 0.000 0.762 348 S HN 0.762 nan 8.310 nan 0.000 0.526 349 E N 1.584 121.861 120.200 0.127 0.000 2.204 349 E HA -0.154 4.196 4.350 -0.001 0.000 0.195 349 E C 1.821 178.431 176.600 0.016 0.000 0.990 349 E CA 1.231 57.614 56.400 -0.028 0.000 0.821 349 E CB -0.746 28.933 29.700 -0.034 0.000 0.750 349 E HN 0.648 nan 8.360 nan 0.000 0.477 350 I N 0.361 121.005 120.570 0.124 0.000 2.226 350 I HA -0.212 3.958 4.170 -0.001 0.000 0.245 350 I C 2.371 178.517 176.117 0.049 0.000 1.100 350 I CA 1.261 62.613 61.300 0.086 0.000 1.374 350 I CB -0.337 37.733 38.000 0.116 0.000 1.057 350 I HN 0.095 nan 8.210 nan 0.000 0.413 351 F N 1.892 121.836 119.950 -0.009 0.000 2.113 351 F HA -0.245 4.281 4.527 -0.001 0.000 0.297 351 F C 2.617 178.409 175.800 -0.013 0.000 1.103 351 F CA 1.788 59.810 58.000 0.037 0.000 1.248 351 F CB -0.139 38.944 39.000 0.138 0.000 0.999 351 F HN -0.166 nan 8.300 nan 0.000 0.475 352 K N 0.767 121.243 120.400 0.128 0.000 2.044 352 K HA -0.315 4.005 4.320 -0.001 0.000 0.210 352 K C 2.312 178.812 176.600 -0.166 0.000 1.049 352 K CA 2.098 58.266 56.287 -0.198 0.000 0.927 352 K CB -0.341 31.666 32.500 -0.822 0.000 0.713 352 K HN 0.259 nan 8.250 nan 0.000 0.443 353 K N 0.528 120.830 120.400 -0.163 0.000 2.063 353 K HA -0.178 4.141 4.320 -0.001 0.000 0.208 353 K C 1.638 178.108 176.600 -0.216 0.000 1.048 353 K CA 1.948 58.145 56.287 -0.150 0.000 0.928 353 K CB 0.082 32.520 32.500 -0.104 0.000 0.713 353 K HN 0.285 nan 8.250 nan 0.000 0.442 354 E N -1.197 118.777 120.200 -0.377 0.000 2.250 354 E HA -0.038 4.311 4.350 -0.001 0.000 0.192 354 E C -0.067 176.011 176.600 -0.870 0.000 0.986 354 E CA 0.485 56.499 56.400 -0.644 0.000 0.849 354 E CB 0.370 29.551 29.700 -0.865 0.000 0.797 354 E HN 0.437 nan 8.360 nan 0.000 0.482 355 H N -0.435 118.388 119.070 -0.412 0.000 2.597 355 H HA 0.147 4.702 4.556 -0.001 0.000 0.225 355 H C -2.107 173.142 175.328 -0.130 0.000 1.422 355 H CA -1.514 54.303 56.048 -0.385 0.000 1.335 355 H CB 0.702 30.021 29.762 -0.738 0.000 1.783 355 H HN 0.073 nan 8.280 nan 0.000 0.513 356 P HA -0.175 nan 4.420 nan 0.000 0.218 356 P C 1.244 178.680 177.300 0.226 0.000 1.148 356 P CA 1.256 64.428 63.100 0.119 0.000 0.822 356 P CB 0.337 32.063 31.700 0.043 0.000 0.784 357 D N -0.095 120.424 120.400 0.197 0.000 2.309 357 D HA -0.172 4.468 4.640 -0.001 0.000 0.212 357 D C 1.388 177.929 176.300 0.402 0.000 0.968 357 D CA 0.812 54.960 54.000 0.247 0.000 0.882 357 D CB -0.549 40.372 40.800 0.202 0.000 0.918 357 D HN 0.261 nan 8.370 nan 0.000 0.503 358 R N -1.054 119.703 120.500 0.428 0.000 2.577 358 R HA 0.214 4.553 4.340 -0.001 0.000 0.344 358 R C -0.649 176.007 176.300 0.593 0.000 1.037 358 R CA -0.477 55.921 56.100 0.496 0.000 1.102 358 R CB 0.360 30.856 30.300 0.327 0.000 1.313 358 R HN 0.069 nan 8.270 nan 0.000 0.561 359 F N 1.193 121.381 119.950 0.396 0.000 2.444 359 F HA 0.492 5.018 4.527 -0.001 0.000 0.342 359 F C -0.521 175.368 175.800 0.147 0.000 1.121 359 F CA -0.921 57.248 58.000 0.282 0.000 0.997 359 F CB 0.867 40.050 39.000 0.304 0.000 1.130 359 F HN -0.167 nan 8.300 nan 0.000 0.454 360 I N 5.269 125.534 120.570 -0.510 0.000 2.359 360 I HA 0.189 4.359 4.170 -0.001 0.000 0.284 360 I C -0.651 175.143 176.117 -0.538 0.000 1.018 360 I CA -0.886 60.154 61.300 -0.432 0.000 1.173 360 I CB 1.433 39.141 38.000 -0.487 0.000 1.326 360 I HN 0.507 nan 8.210 nan 0.000 0.462 361 E N 5.050 125.164 120.200 -0.143 0.000 2.220 361 E HA 0.095 4.445 4.350 -0.001 0.000 0.272 361 E C 0.027 176.585 176.600 -0.070 0.000 1.099 361 E CA 0.023 56.363 56.400 -0.100 0.000 0.907 361 E CB 0.670 30.347 29.700 -0.039 0.000 1.022 361 E HN 0.660 nan 8.360 nan 0.000 0.428 362 C N 4.849 124.120 119.300 -0.049 0.000 2.799 362 C HA 0.241 4.700 4.460 -0.001 0.000 0.267 362 C C -0.081 175.089 174.990 0.299 0.000 1.257 362 C CA -0.189 58.969 59.018 0.234 0.000 1.702 362 C CB -1.974 25.856 27.740 0.150 0.000 1.934 362 C HN 0.917 nan 8.230 nan 0.000 0.594 363 Y N -0.781 119.621 120.300 0.169 0.000 2.659 363 Y HA -0.260 4.290 4.550 -0.001 0.000 0.461 363 Y C 0.472 176.411 175.900 0.065 0.000 1.541 363 Y CA 0.128 58.296 58.100 0.114 0.000 1.827 363 Y CB -0.975 37.558 38.460 0.122 0.000 1.831 363 Y HN 0.088 nan 8.280 nan 0.000 0.429 364 I N 1.725 122.422 120.570 0.213 0.000 2.191 364 I HA 0.465 4.635 4.170 -0.001 0.000 0.289 364 I C 0.228 176.380 176.117 0.058 0.000 1.141 364 I CA 0.676 62.006 61.300 0.048 0.000 1.430 364 I CB -0.314 37.671 38.000 -0.025 0.000 1.497 364 I HN 0.512 nan 8.210 nan 0.000 0.636 365 A N 3.371 126.240 122.820 0.081 0.000 3.124 365 A HA 0.415 4.735 4.320 -0.001 0.000 0.295 365 A C 0.429 178.059 177.584 0.077 0.000 1.199 365 A CA -0.499 51.597 52.037 0.098 0.000 0.845 365 A CB 0.249 19.354 19.000 0.174 0.000 1.381 365 A HN 0.460 nan 8.150 nan 0.000 0.537 366 E N 0.242 120.469 120.200 0.045 0.000 2.107 366 E HA -0.175 4.175 4.350 -0.001 0.000 0.191 366 E C 1.845 178.504 176.600 0.099 0.000 0.982 366 E CA 1.682 58.120 56.400 0.063 0.000 0.809 366 E CB -0.051 29.676 29.700 0.045 0.000 0.756 366 E HN 0.816 nan 8.360 nan 0.000 0.459 367 Q N 0.267 120.115 119.800 0.080 0.000 2.030 367 Q HA -0.224 4.116 4.340 -0.001 0.000 0.204 367 Q C 2.058 178.081 176.000 0.038 0.000 0.986 367 Q CA 1.612 57.455 55.803 0.067 0.000 0.843 367 Q CB -0.273 28.495 28.738 0.050 0.000 0.904 367 Q HN 0.183 nan 8.270 nan 0.000 0.420 368 N N 0.434 119.151 118.700 0.027 0.000 2.120 368 N HA -0.173 4.567 4.740 -0.001 0.000 0.188 368 N C 1.644 177.113 175.510 -0.068 0.000 1.024 368 N CA 1.211 54.242 53.050 -0.031 0.000 0.852 368 N CB -0.113 38.370 38.487 -0.006 0.000 1.003 368 N HN 0.202 nan 8.380 nan 0.000 0.424 369 M N -0.357 119.242 119.600 -0.001 0.000 2.080 369 M HA -0.176 4.303 4.480 -0.001 0.000 0.260 369 M C 1.564 177.870 176.300 0.011 0.000 1.068 369 M CA 1.481 56.781 55.300 0.001 0.000 1.109 369 M CB -0.107 32.532 32.600 0.064 0.000 1.342 369 M HN 0.045 nan 8.290 nan 0.000 0.405 370 V N -0.114 119.841 119.914 0.069 0.000 2.343 370 V HA -0.246 3.873 4.120 -0.001 0.000 0.247 370 V C 2.338 178.429 176.094 -0.004 0.000 1.051 370 V CA 2.132 64.471 62.300 0.066 0.000 1.036 370 V CB -0.805 31.083 31.823 0.109 0.000 0.654 370 V HN 0.537 nan 8.190 nan 0.000 0.451 371 S N -0.083 115.599 115.700 -0.030 0.000 2.382 371 S HA -0.109 4.360 4.470 -0.001 0.000 0.228 371 S C 1.938 176.481 174.600 -0.095 0.000 1.027 371 S CA 1.223 59.387 58.200 -0.060 0.000 0.991 371 S CB -0.261 62.898 63.200 -0.068 0.000 0.823 371 S HN 0.377 nan 8.310 nan 0.000 0.469 372 I N 2.123 122.598 120.570 -0.159 0.000 2.179 372 I HA -0.168 4.002 4.170 -0.001 0.000 0.242 372 I C 2.722 178.777 176.117 -0.103 0.000 1.088 372 I CA 1.253 62.427 61.300 -0.209 0.000 1.357 372 I CB -1.806 35.963 38.000 -0.385 0.000 1.051 372 I HN 0.227 nan 8.210 nan 0.000 0.409 373 A N 0.526 123.300 122.820 -0.076 0.000 1.883 373 A HA -0.164 4.155 4.320 -0.001 0.000 0.217 373 A C 2.570 180.135 177.584 -0.033 0.000 1.186 373 A CA 2.025 54.036 52.037 -0.045 0.000 0.624 373 A CB -1.013 17.967 19.000 -0.034 0.000 0.822 373 A HN 0.253 nan 8.150 nan 0.000 0.444 374 V N -0.126 119.767 119.914 -0.035 0.000 2.295 374 V HA -0.172 3.948 4.120 -0.001 0.000 0.246 374 V C 2.840 178.924 176.094 -0.017 0.000 1.049 374 V CA 1.942 64.225 62.300 -0.029 0.000 1.024 374 V CB -1.485 30.319 31.823 -0.031 0.000 0.648 374 V HN 0.626 nan 8.190 nan 0.000 0.447 375 G N -1.062 107.728 108.800 -0.017 0.000 2.476 375 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.218 375 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.218 375 G C 1.716 176.645 174.900 0.048 0.000 1.164 375 G CA 1.452 46.557 45.100 0.009 0.000 0.768 375 G HN 0.546 nan 8.290 nan 0.000 0.560 376 C N 0.799 120.135 119.300 0.060 0.000 2.435 376 C HA 0.282 4.741 4.460 -0.001 0.000 0.279 376 C C 3.401 178.439 174.990 0.080 0.000 1.321 376 C CA 0.606 59.696 59.018 0.119 0.000 1.752 376 C CB -0.815 27.007 27.740 0.136 0.000 1.959 376 C HN 0.557 nan 8.230 nan 0.000 0.500 377 A N 0.407 123.245 122.820 0.029 0.000 2.169 377 A HA 0.069 4.388 4.320 -0.001 0.000 0.212 377 A C 1.276 178.862 177.584 0.004 0.000 1.153 377 A CA 1.083 53.124 52.037 0.006 0.000 0.756 377 A CB -0.781 18.206 19.000 -0.022 0.000 0.813 377 A HN 0.657 nan 8.150 nan 0.000 0.471 378 T N -2.407 112.152 114.554 0.008 0.000 2.930 378 T HA 0.353 4.702 4.350 -0.001 0.000 0.306 378 T C 0.505 175.199 174.700 -0.010 0.000 1.045 378 T CA 0.004 62.099 62.100 -0.008 0.000 1.134 378 T CB 0.378 69.239 68.868 -0.012 0.000 0.961 378 T HN 0.517 nan 8.240 nan 0.000 0.545 379 R N 1.484 121.966 120.500 -0.029 0.000 3.758 379 R HA -0.244 4.095 4.340 -0.001 0.000 0.299 379 R C 0.244 176.533 176.300 -0.018 0.000 1.182 379 R CA 0.741 56.820 56.100 -0.036 0.000 0.809 379 R CB -2.703 27.562 30.300 -0.059 0.000 1.249 379 R HN 1.045 nan 8.270 nan 0.000 0.497 380 N N -0.987 117.708 118.700 -0.010 0.000 2.708 380 N HA -0.251 4.489 4.740 -0.001 0.000 0.249 380 N C 0.712 176.228 175.510 0.010 0.000 1.097 380 N CA 0.808 53.857 53.050 -0.002 0.000 0.710 380 N CB -0.291 38.193 38.487 -0.005 0.000 1.032 380 N HN 0.309 nan 8.380 nan 0.000 0.551 381 R N -0.264 120.253 120.500 0.027 0.000 2.115 381 R HA 0.057 4.396 4.340 -0.001 0.000 0.226 381 R C 1.409 177.732 176.300 0.039 0.000 1.100 381 R CA 1.779 57.911 56.100 0.054 0.000 0.980 381 R CB -0.481 29.884 30.300 0.108 0.000 0.875 381 R HN 0.631 nan 8.270 nan 0.000 0.445 382 T N -3.847 110.721 114.554 0.023 0.000 2.841 382 T HA 0.557 4.906 4.350 -0.001 0.000 0.296 382 T C -0.664 174.027 174.700 -0.015 0.000 1.166 382 T CA -0.835 61.251 62.100 -0.023 0.000 1.007 382 T CB 2.370 71.209 68.868 -0.049 0.000 1.253 382 T HN -0.221 nan 8.240 nan 0.000 0.511 383 V N 2.831 122.736 119.914 -0.015 0.000 2.305 383 V HA 0.486 4.606 4.120 -0.001 0.000 0.275 383 V C -2.538 173.575 176.094 0.032 0.000 1.020 383 V CA -1.674 60.630 62.300 0.006 0.000 0.811 383 V CB 1.021 32.880 31.823 0.061 0.000 1.031 383 V HN 0.786 nan 8.190 nan 0.000 0.439 384 P HA 0.525 nan 4.420 nan 0.000 0.286 384 P C -1.113 176.115 177.300 -0.119 0.000 1.261 384 P CA -0.521 62.565 63.100 -0.023 0.000 0.821 384 P CB 1.064 32.734 31.700 -0.050 0.000 1.013 385 F N 1.780 121.684 119.950 -0.077 0.000 2.445 385 F HA 0.285 4.811 4.527 -0.001 0.000 0.348 385 F C 0.694 176.501 175.800 0.011 0.000 1.125 385 F CA -0.459 57.536 58.000 -0.008 0.000 0.983 385 F CB 0.923 39.931 39.000 0.014 0.000 1.198 385 F HN 0.380 nan 8.300 nan 0.000 0.436 386 C N 1.365 120.768 119.300 0.171 0.000 2.366 386 C HA 0.944 5.403 4.460 -0.001 0.000 0.345 386 C C -0.012 175.186 174.990 0.346 0.000 1.209 386 C CA -0.794 58.345 59.018 0.203 0.000 2.050 386 C CB 0.655 28.508 27.740 0.188 0.000 2.359 386 C HN 0.853 nan 8.230 nan 0.000 0.527 387 S N 1.259 117.135 115.700 0.294 0.000 2.547 387 S HA 0.847 5.316 4.470 -0.001 0.000 0.281 387 S C -0.721 173.952 174.600 0.123 0.000 1.118 387 S CA -0.187 58.176 58.200 0.271 0.000 0.947 387 S CB 1.773 65.139 63.200 0.278 0.000 1.053 387 S HN 1.436 nan 8.310 nan 0.000 0.482 388 T N 0.616 115.166 114.554 -0.007 0.000 2.649 388 T HA 0.603 4.952 4.350 -0.001 0.000 0.305 388 T C -1.606 173.156 174.700 0.103 0.000 1.409 388 T CA -0.611 61.487 62.100 -0.004 0.000 1.021 388 T CB 0.033 68.783 68.868 -0.197 0.000 1.726 388 T HN 0.418 nan 8.240 nan 0.000 0.475 389 F N 1.855 121.714 119.950 -0.151 0.000 2.484 389 F HA 0.522 5.049 4.527 -0.001 0.000 0.360 389 F C 1.782 177.434 175.800 -0.246 0.000 1.101 389 F CA -0.370 57.500 58.000 -0.217 0.000 1.251 389 F CB 0.167 38.888 39.000 -0.464 0.000 1.132 389 F HN 0.765 nan 8.300 nan 0.000 0.570 390 A N 3.273 126.156 122.820 0.105 0.000 1.948 390 A HA -0.149 4.171 4.320 -0.001 0.000 0.220 390 A C 2.274 179.902 177.584 0.074 0.000 1.177 390 A CA 2.012 54.206 52.037 0.261 0.000 0.636 390 A CB -1.172 18.006 19.000 0.295 0.000 0.815 390 A HN 0.843 nan 8.150 nan 0.000 0.449 391 A N -1.111 121.605 122.820 -0.173 0.000 1.978 391 A HA 0.005 4.325 4.320 -0.001 0.000 0.220 391 A C 1.651 179.090 177.584 -0.240 0.000 1.170 391 A CA 1.529 53.390 52.037 -0.293 0.000 0.636 391 A CB -0.689 18.021 19.000 -0.484 0.000 0.810 391 A HN 0.505 nan 8.150 nan 0.000 0.448 392 F N -1.941 117.998 119.950 -0.019 0.000 2.811 392 F HA 0.205 4.732 4.527 -0.001 0.000 0.301 392 F C 1.258 177.005 175.800 -0.088 0.000 1.151 392 F CA -0.682 57.262 58.000 -0.095 0.000 1.412 392 F CB -0.797 38.095 39.000 -0.181 0.000 1.113 392 F HN 0.152 nan 8.300 nan 0.000 0.579 393 F N 0.674 120.712 119.950 0.146 0.000 2.502 393 F HA -0.109 4.418 4.527 -0.001 0.000 0.298 393 F C 2.646 178.427 175.800 -0.031 0.000 1.111 393 F CA 1.222 59.274 58.000 0.088 0.000 1.445 393 F CB -1.380 37.705 39.000 0.143 0.000 1.081 393 F HN 0.051 nan 8.300 nan 0.000 0.558 394 T N -2.341 112.272 114.554 0.098 0.000 2.929 394 T HA -0.209 4.141 4.350 -0.001 0.000 0.271 394 T C 2.088 176.848 174.700 0.100 0.000 1.085 394 T CA 0.960 63.061 62.100 0.001 0.000 1.125 394 T CB -0.281 68.568 68.868 -0.032 0.000 0.874 394 T HN 0.040 nan 8.240 nan 0.000 0.494 395 R N 1.774 122.358 120.500 0.140 0.000 2.189 395 R HA 0.329 4.668 4.340 -0.001 0.000 0.218 395 R C 1.845 178.224 176.300 0.133 0.000 1.074 395 R CA 0.995 57.170 56.100 0.125 0.000 0.991 395 R CB -0.691 29.675 30.300 0.110 0.000 0.883 395 R HN 0.514 nan 8.270 nan 0.000 0.457 396 A N -0.884 122.044 122.820 0.179 0.000 2.535 396 A HA 0.179 4.499 4.320 -0.001 0.000 0.273 396 A C 0.963 178.654 177.584 0.178 0.000 1.267 396 A CA -0.506 51.636 52.037 0.175 0.000 0.940 396 A CB -0.586 18.562 19.000 0.247 0.000 1.101 396 A HN 0.330 nan 8.150 nan 0.000 0.521 397 F N 1.280 121.202 119.950 -0.046 0.000 2.171 397 F HA -0.136 4.391 4.527 -0.001 0.000 0.300 397 F C 1.645 177.380 175.800 -0.108 0.000 1.090 397 F CA 1.823 59.747 58.000 -0.127 0.000 1.293 397 F CB -0.251 38.667 39.000 -0.138 0.000 1.013 397 F HN 0.414 nan 8.300 nan 0.000 0.486 398 D N -0.322 120.022 120.400 -0.093 0.000 2.144 398 D HA -0.165 4.474 4.640 -0.001 0.000 0.200 398 D C 2.020 178.245 176.300 -0.125 0.000 0.978 398 D CA 1.079 54.955 54.000 -0.206 0.000 0.833 398 D CB -0.022 40.699 40.800 -0.131 0.000 0.961 398 D HN 0.290 nan 8.370 nan 0.000 0.470 399 Q N -0.377 119.400 119.800 -0.039 0.000 2.172 399 Q HA 0.068 4.407 4.340 -0.001 0.000 0.200 399 Q C 2.258 178.245 176.000 -0.021 0.000 0.964 399 Q CA 0.739 56.529 55.803 -0.022 0.000 0.855 399 Q CB 0.013 28.759 28.738 0.014 0.000 0.918 399 Q HN 0.414 nan 8.270 nan 0.000 0.444 400 I N -0.270 120.301 120.570 0.001 0.000 2.233 400 I HA -0.241 3.928 4.170 -0.001 0.000 0.243 400 I C 2.463 178.559 176.117 -0.034 0.000 1.093 400 I CA 0.917 62.222 61.300 0.008 0.000 1.380 400 I CB -0.258 37.758 38.000 0.028 0.000 1.067 400 I HN 0.145 nan 8.210 nan 0.000 0.413 401 R N 0.855 121.280 120.500 -0.126 0.000 2.096 401 R HA -0.216 4.124 4.340 -0.001 0.000 0.240 401 R C 2.368 178.590 176.300 -0.130 0.000 1.139 401 R CA 1.750 57.729 56.100 -0.201 0.000 0.952 401 R CB -0.075 29.967 30.300 -0.430 0.000 0.854 401 R HN 0.189 nan 8.270 nan 0.000 0.436 402 M N 0.041 119.569 119.600 -0.119 0.000 2.229 402 M HA -0.059 4.421 4.480 -0.001 0.000 0.264 402 M C 2.378 178.644 176.300 -0.057 0.000 1.063 402 M CA 1.457 56.706 55.300 -0.085 0.000 1.114 402 M CB -1.031 31.520 32.600 -0.081 0.000 1.387 402 M HN 0.306 nan 8.290 nan 0.000 0.420 403 A N 0.353 123.146 122.820 -0.045 0.000 1.940 403 A HA -0.035 4.284 4.320 -0.001 0.000 0.219 403 A C 2.447 180.014 177.584 -0.028 0.000 1.176 403 A CA 2.097 54.116 52.037 -0.031 0.000 0.631 403 A CB -0.822 18.167 19.000 -0.019 0.000 0.814 403 A HN 0.474 nan 8.150 nan 0.000 0.446 404 A N -0.083 122.721 122.820 -0.027 0.000 1.898 404 A HA -0.051 4.269 4.320 -0.001 0.000 0.216 404 A C 2.085 179.652 177.584 -0.028 0.000 1.181 404 A CA 1.478 53.502 52.037 -0.021 0.000 0.620 404 A CB -0.566 18.425 19.000 -0.016 0.000 0.819 404 A HN 0.508 nan 8.150 nan 0.000 0.442 405 I N -0.201 120.346 120.570 -0.038 0.000 2.394 405 I HA -0.155 4.014 4.170 -0.001 0.000 0.251 405 I C 1.989 178.088 176.117 -0.031 0.000 1.136 405 I CA 1.171 62.450 61.300 -0.036 0.000 1.425 405 I CB -0.196 37.777 38.000 -0.045 0.000 1.079 405 I HN 0.154 nan 8.210 nan 0.000 0.425 406 S N 0.232 115.912 115.700 -0.034 0.000 2.603 406 S HA -0.062 4.407 4.470 -0.001 0.000 0.229 406 S C 0.451 175.031 174.600 -0.034 0.000 0.972 406 S CA 0.226 58.406 58.200 -0.033 0.000 0.935 406 S CB -0.420 62.759 63.200 -0.034 0.000 0.769 406 S HN 0.440 nan 8.310 nan 0.000 0.536 407 E N 1.178 121.360 120.200 -0.030 0.000 2.328 407 E HA -0.169 4.181 4.350 -0.001 0.000 0.233 407 E C -0.159 176.424 176.600 -0.028 0.000 1.219 407 E CA 0.221 56.604 56.400 -0.028 0.000 0.717 407 E CB -1.664 28.017 29.700 -0.031 0.000 1.210 407 E HN 0.309 nan 8.360 nan 0.000 0.381 408 S N 0.487 116.170 115.700 -0.028 0.000 2.584 408 S HA 0.228 4.697 4.470 -0.001 0.000 0.273 408 S C 0.031 174.610 174.600 -0.033 0.000 1.311 408 S CA -0.707 57.475 58.200 -0.031 0.000 1.034 408 S CB 0.567 63.748 63.200 -0.032 0.000 0.939 408 S HN 0.244 nan 8.310 nan 0.000 0.513 409 N N 4.374 123.050 118.700 -0.040 0.000 2.699 409 N HA 0.370 5.109 4.740 -0.001 0.000 0.232 409 N C -0.472 174.987 175.510 -0.084 0.000 1.027 409 N CA -0.236 52.783 53.050 -0.052 0.000 0.920 409 N CB 0.463 38.925 38.487 -0.041 0.000 1.148 409 N HN 0.673 nan 8.380 nan 0.000 0.509 410 I N -1.312 119.195 120.570 -0.105 0.000 3.042 410 I HA 0.596 4.766 4.170 -0.001 0.000 0.310 410 I C -0.894 175.082 176.117 -0.235 0.000 1.117 410 I CA -1.017 60.188 61.300 -0.159 0.000 1.003 410 I CB 2.375 40.312 38.000 -0.105 0.000 1.228 410 I HN -0.062 nan 8.210 nan 0.000 0.443 411 N N 3.528 121.998 118.700 -0.384 0.000 2.296 411 N HA 0.649 5.389 4.740 -0.001 0.000 0.294 411 N C -1.560 173.775 175.510 -0.291 0.000 1.033 411 N CA -0.413 52.345 53.050 -0.487 0.000 0.839 411 N CB 2.774 40.534 38.487 -1.212 0.000 1.395 411 N HN 0.430 nan 8.380 nan 0.000 0.479 412 L N 1.012 122.115 121.223 -0.199 0.000 2.362 412 L HA 0.469 4.809 4.340 -0.001 0.000 0.275 412 L C -0.384 176.435 176.870 -0.086 0.000 0.998 412 L CA -0.615 54.134 54.840 -0.153 0.000 0.820 412 L CB 1.808 43.587 42.059 -0.466 0.000 1.270 412 L HN 0.549 nan 8.230 nan 0.000 0.415 413 C N 2.358 121.690 119.300 0.054 0.000 2.319 413 C HA 0.874 5.333 4.460 -0.001 0.000 0.323 413 C C 0.517 175.594 174.990 0.145 0.000 1.277 413 C CA -0.401 58.503 59.018 -0.191 0.000 1.517 413 C CB -0.086 27.157 27.740 -0.829 0.000 2.206 413 C HN 0.933 nan 8.230 nan 0.000 0.486 414 G N 5.113 113.989 108.800 0.127 0.000 2.468 414 G HA2 0.531 4.490 3.960 -0.001 0.000 0.315 414 G HA3 0.531 4.490 3.960 -0.001 0.000 0.315 414 G C -0.024 174.899 174.900 0.038 0.000 1.203 414 G CA 0.030 45.348 45.100 0.364 0.000 0.962 414 G HN 1.127 nan 8.290 nan 0.000 0.476 415 S N 1.506 117.211 115.700 0.008 0.000 2.686 415 S HA 0.401 4.870 4.470 -0.001 0.000 0.270 415 S C 0.444 175.014 174.600 -0.051 0.000 1.194 415 S CA -0.324 57.854 58.200 -0.037 0.000 0.990 415 S CB 0.538 63.755 63.200 0.028 0.000 1.029 415 S HN 0.829 nan 8.310 nan 0.000 0.560 416 H N -1.694 117.178 119.070 -0.329 0.000 2.756 416 H HA -0.135 4.420 4.556 -0.001 0.000 0.315 416 H C 0.417 175.630 175.328 -0.192 0.000 1.210 416 H CA 0.353 56.199 56.048 -0.336 0.000 1.150 416 H CB -2.742 26.618 29.762 -0.669 0.000 1.463 416 H HN 0.987 nan 8.280 nan 0.000 0.427 417 C N -0.875 118.376 119.300 -0.082 0.000 2.527 417 C HA 0.763 5.223 4.460 -0.001 0.000 0.396 417 C C 1.552 176.501 174.990 -0.068 0.000 1.289 417 C CA 0.485 59.459 59.018 -0.073 0.000 2.047 417 C CB 0.457 28.128 27.740 -0.115 0.000 2.568 417 C HN 1.446 nan 8.230 nan 0.000 0.573 418 G N 2.362 111.106 108.800 -0.093 0.000 2.728 418 G HA2 0.020 3.979 3.960 -0.001 0.000 0.294 418 G HA3 0.020 3.979 3.960 -0.001 0.000 0.294 418 G C 0.175 175.012 174.900 -0.107 0.000 1.342 418 G CA 0.256 45.291 45.100 -0.108 0.000 0.866 418 G HN 2.297 nan 8.290 nan 0.000 0.534 419 V N -1.544 118.301 119.914 -0.114 0.000 3.141 419 V HA 0.139 4.259 4.120 -0.001 0.000 0.265 419 V C 2.679 178.771 176.094 -0.004 0.000 1.126 419 V CA 2.692 64.947 62.300 -0.074 0.000 1.141 419 V CB -0.347 31.426 31.823 -0.084 0.000 0.743 419 V HN 2.183 nan 8.190 nan 0.000 0.492 420 S N 1.689 117.385 115.700 -0.007 0.000 2.547 420 S HA -0.063 4.406 4.470 -0.001 0.000 0.235 420 S C 1.823 176.410 174.600 -0.021 0.000 0.980 420 S CA 1.157 59.358 58.200 0.001 0.000 0.941 420 S CB -1.010 62.191 63.200 0.002 0.000 0.763 420 S HN 0.913 nan 8.310 nan 0.000 0.532 421 I N -1.470 119.083 120.570 -0.028 0.000 2.546 421 I HA 0.286 4.455 4.170 -0.001 0.000 0.255 421 I C 1.765 177.897 176.117 0.024 0.000 1.163 421 I CA 0.684 61.969 61.300 -0.025 0.000 1.457 421 I CB -1.165 36.851 38.000 0.025 0.000 1.092 421 I HN 0.452 nan 8.210 nan 0.000 0.434 422 G N 1.885 110.708 108.800 0.038 0.000 2.652 422 G HA2 -0.374 3.585 3.960 -0.001 0.000 0.278 422 G HA3 -0.374 3.585 3.960 -0.001 0.000 0.278 422 G C 0.575 175.517 174.900 0.070 0.000 1.263 422 G CA 0.529 45.663 45.100 0.056 0.000 0.966 422 G HN 0.440 nan 8.290 nan 0.000 0.544 423 E N 0.978 121.221 120.200 0.072 0.000 2.208 423 E HA 0.115 4.464 4.350 -0.001 0.000 0.193 423 E C 1.926 178.576 176.600 0.083 0.000 0.988 423 E CA 1.018 57.462 56.400 0.073 0.000 0.828 423 E CB -0.110 29.629 29.700 0.066 0.000 0.763 423 E HN 0.438 nan 8.360 nan 0.000 0.478 424 D N -0.138 120.323 120.400 0.102 0.000 2.218 424 D HA -0.002 4.638 4.640 -0.001 0.000 0.204 424 D C 0.990 177.349 176.300 0.097 0.000 0.976 424 D CA 1.323 55.391 54.000 0.114 0.000 0.853 424 D CB -0.091 40.809 40.800 0.167 0.000 0.939 424 D HN 0.225 nan 8.370 nan 0.000 0.481 425 G N -0.045 108.807 108.800 0.087 0.000 2.728 425 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.294 425 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.294 425 G C -1.901 173.034 174.900 0.059 0.000 1.342 425 G CA -0.189 44.955 45.100 0.073 0.000 0.866 425 G HN -0.044 nan 8.290 nan 0.000 0.534 426 P HA -0.123 nan 4.420 nan 0.000 0.218 426 P C 2.112 179.429 177.300 0.029 0.000 1.148 426 P CA 2.613 65.725 63.100 0.019 0.000 0.822 426 P CB -0.340 31.382 31.700 0.036 0.000 0.784 427 S N -0.738 114.999 115.700 0.062 0.000 2.419 427 S HA -0.174 4.295 4.470 -0.001 0.000 0.235 427 S C 1.946 176.597 174.600 0.084 0.000 1.019 427 S CA 1.085 59.339 58.200 0.090 0.000 0.982 427 S CB -0.965 62.304 63.200 0.115 0.000 0.789 427 S HN 0.099 nan 8.310 nan 0.000 0.490 428 Q N 0.161 120.004 119.800 0.072 0.000 2.356 428 Q HA 0.423 4.763 4.340 -0.001 0.000 0.205 428 Q C 0.015 176.008 176.000 -0.012 0.000 0.901 428 Q CA 0.204 56.039 55.803 0.054 0.000 0.938 428 Q CB 0.056 28.933 28.738 0.231 0.000 1.081 428 Q HN 0.611 nan 8.270 nan 0.000 0.517 429 M N 0.571 120.145 119.600 -0.044 0.000 2.108 429 M HA 0.394 4.874 4.480 -0.001 0.000 0.354 429 M C -0.582 175.626 176.300 -0.154 0.000 1.229 429 M CA -0.659 54.588 55.300 -0.087 0.000 1.081 429 M CB 1.403 33.936 32.600 -0.112 0.000 1.606 429 M HN -0.044 nan 8.290 nan 0.000 0.467 430 A N 5.188 127.921 122.820 -0.145 0.000 2.350 430 A HA 0.508 4.827 4.320 -0.001 0.000 0.293 430 A C 0.281 177.714 177.584 -0.252 0.000 1.231 430 A CA -0.319 51.624 52.037 -0.155 0.000 0.883 430 A CB -0.202 18.765 19.000 -0.054 0.000 1.133 430 A HN 1.040 nan 8.150 nan 0.000 0.533 431 L N 1.978 122.950 121.223 -0.419 0.000 3.086 431 L HA 0.226 4.566 4.340 -0.001 0.000 0.274 431 L C 1.214 177.470 176.870 -1.023 0.000 1.184 431 L CA 0.133 54.486 54.840 -0.812 0.000 1.002 431 L CB 0.429 41.657 42.059 -1.385 0.000 1.383 431 L HN 0.815 nan 8.230 nan 0.000 0.582 432 E N -0.755 119.135 120.200 -0.517 0.000 2.676 432 E HA -0.019 4.331 4.350 -0.001 0.000 0.225 432 E C 0.520 177.086 176.600 -0.057 0.000 0.944 432 E CA 0.310 56.542 56.400 -0.279 0.000 1.156 432 E CB 0.086 29.736 29.700 -0.084 0.000 1.117 432 E HN 0.379 nan 8.360 nan 0.000 0.523 433 D N 1.878 122.270 120.400 -0.013 0.000 2.178 433 D HA -0.144 4.496 4.640 -0.001 0.000 0.202 433 D C 1.965 178.325 176.300 0.100 0.000 0.974 433 D CA 0.457 54.457 54.000 -0.001 0.000 0.841 433 D CB -0.407 40.434 40.800 0.069 0.000 0.953 433 D HN 0.224 nan 8.370 nan 0.000 0.478 434 L N 0.618 121.998 121.223 0.262 0.000 2.056 434 L HA -0.067 4.272 4.340 -0.001 0.000 0.207 434 L C 2.927 179.820 176.870 0.039 0.000 1.078 434 L CA 1.148 56.026 54.840 0.063 0.000 0.749 434 L CB -0.549 41.332 42.059 -0.297 0.000 0.901 434 L HN 0.052 nan 8.230 nan 0.000 0.433 435 A N -0.052 122.855 122.820 0.145 0.000 1.883 435 A HA -0.289 4.030 4.320 -0.001 0.000 0.217 435 A C 2.353 179.890 177.584 -0.079 0.000 1.186 435 A CA 2.111 54.180 52.037 0.054 0.000 0.624 435 A CB -0.556 18.515 19.000 0.119 0.000 0.822 435 A HN 0.413 nan 8.150 nan 0.000 0.444 436 M N -1.826 117.629 119.600 -0.241 0.000 2.067 436 M HA -0.123 4.357 4.480 -0.001 0.000 0.260 436 M C 1.862 177.860 176.300 -0.503 0.000 1.069 436 M CA 2.037 56.959 55.300 -0.629 0.000 1.117 436 M CB -0.220 31.762 32.600 -1.030 0.000 1.334 436 M HN 0.361 nan 8.290 nan 0.000 0.407 437 F N 0.134 119.888 119.950 -0.328 0.000 2.259 437 F HA -0.041 4.485 4.527 -0.001 0.000 0.298 437 F C 2.418 178.152 175.800 -0.109 0.000 1.088 437 F CA 1.190 59.040 58.000 -0.250 0.000 1.358 437 F CB -0.442 38.326 39.000 -0.387 0.000 1.040 437 F HN 0.112 nan 8.300 nan 0.000 0.505 438 R N -0.170 120.372 120.500 0.069 0.000 2.120 438 R HA -0.127 4.213 4.340 -0.001 0.000 0.234 438 R C 2.249 178.570 176.300 0.034 0.000 1.123 438 R CA 1.536 57.659 56.100 0.040 0.000 0.975 438 R CB -0.595 29.711 30.300 0.011 0.000 0.866 438 R HN 0.319 nan 8.270 nan 0.000 0.446 439 S N -0.265 115.455 115.700 0.033 0.000 2.561 439 S HA 0.047 4.516 4.470 -0.001 0.000 0.225 439 S C 0.747 175.392 174.600 0.075 0.000 0.977 439 S CA -0.211 58.026 58.200 0.060 0.000 0.926 439 S CB 0.211 63.471 63.200 0.099 0.000 0.769 439 S HN -0.093 nan 8.310 nan 0.000 0.533 440 V N 4.397 124.357 119.914 0.077 0.000 2.408 440 V HA 0.257 4.376 4.120 -0.001 0.000 0.267 440 V C -1.135 174.986 176.094 0.045 0.000 1.047 440 V CA -1.701 60.641 62.300 0.071 0.000 0.937 440 V CB 1.093 32.973 31.823 0.095 0.000 0.999 440 V HN 0.222 nan 8.190 nan 0.000 0.472 441 P HA -0.100 nan 4.420 nan 0.000 0.218 441 P C 1.192 178.498 177.300 0.010 0.000 1.149 441 P CA 1.330 64.437 63.100 0.012 0.000 0.817 441 P CB 0.060 31.760 31.700 0.000 0.000 0.785 442 T N -3.562 110.999 114.554 0.012 0.000 3.206 442 T HA 0.153 4.503 4.350 -0.001 0.000 0.253 442 T C 0.711 175.419 174.700 0.013 0.000 1.042 442 T CA -0.393 61.712 62.100 0.008 0.000 0.931 442 T CB -0.884 67.986 68.868 0.002 0.000 1.029 442 T HN 0.130 nan 8.240 nan 0.000 0.564 443 S N 1.036 116.753 115.700 0.028 0.000 2.584 443 S HA 0.471 4.940 4.470 -0.001 0.000 0.273 443 S C -0.197 174.393 174.600 -0.016 0.000 1.311 443 S CA -0.542 57.681 58.200 0.038 0.000 1.034 443 S CB 0.932 64.194 63.200 0.104 0.000 0.939 443 S HN 0.263 nan 8.310 nan 0.000 0.513 444 T N 2.892 117.417 114.554 -0.049 0.000 2.770 444 T HA 0.468 4.817 4.350 -0.001 0.000 0.283 444 T C -0.670 173.888 174.700 -0.236 0.000 0.988 444 T CA -0.583 61.406 62.100 -0.184 0.000 0.957 444 T CB 1.111 69.846 68.868 -0.223 0.000 0.930 444 T HN 0.580 nan 8.240 nan 0.000 0.443 445 V N 4.968 124.707 119.914 -0.290 0.000 2.328 445 V HA 0.441 4.560 4.120 -0.001 0.000 0.278 445 V C -0.632 175.220 176.094 -0.404 0.000 1.021 445 V CA -0.802 61.381 62.300 -0.196 0.000 0.838 445 V CB -0.023 31.788 31.823 -0.020 0.000 0.999 445 V HN 0.762 nan 8.190 nan 0.000 0.447 446 F N 4.386 124.168 119.950 -0.279 0.000 2.404 446 F HA 0.472 4.998 4.527 -0.001 0.000 0.339 446 F C -0.130 175.498 175.800 -0.286 0.000 1.105 446 F CA -0.458 57.302 58.000 -0.400 0.000 1.087 446 F CB 1.154 39.872 39.000 -0.470 0.000 1.143 446 F HN 0.439 nan 8.300 nan 0.000 0.491 447 Y N 5.701 125.896 120.300 -0.176 0.000 2.705 447 Y HA 0.383 4.932 4.550 -0.001 0.000 0.355 447 Y C -2.700 173.176 175.900 -0.040 0.000 1.039 447 Y CA -3.882 54.147 58.100 -0.118 0.000 1.233 447 Y CB 0.322 38.735 38.460 -0.077 0.000 1.103 447 Y HN 0.320 nan 8.280 nan 0.000 0.624 448 P HA 0.192 nan 4.420 nan 0.000 0.276 448 P C 0.140 177.542 177.300 0.171 0.000 1.230 448 P CA 0.217 63.423 63.100 0.176 0.000 0.776 448 P CB 1.726 33.476 31.700 0.083 0.000 0.888 449 S N 0.485 116.294 115.700 0.181 0.000 2.511 449 S HA 0.067 4.537 4.470 -0.001 0.000 0.214 449 S C 0.488 175.241 174.600 0.255 0.000 0.997 449 S CA 0.170 58.466 58.200 0.161 0.000 0.908 449 S CB -0.149 63.093 63.200 0.070 0.000 0.803 449 S HN 0.725 nan 8.310 nan 0.000 0.504 450 D N -1.228 119.291 120.400 0.198 0.000 2.664 450 D HA 0.365 5.004 4.640 -0.001 0.000 0.292 450 D C 1.230 177.493 176.300 -0.062 0.000 1.214 450 D CA -0.237 53.817 54.000 0.090 0.000 0.932 450 D CB 0.438 41.318 40.800 0.134 0.000 1.420 450 D HN -0.064 nan 8.370 nan 0.000 0.471 451 G N -0.276 108.366 108.800 -0.263 0.000 2.469 451 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.219 451 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.219 451 G C 1.452 176.087 174.900 -0.442 0.000 1.150 451 G CA 1.687 46.424 45.100 -0.605 0.000 0.763 451 G HN 0.312 nan 8.290 nan 0.000 0.561 452 V N 1.494 121.276 119.914 -0.220 0.000 2.270 452 V HA -0.093 4.026 4.120 -0.001 0.000 0.245 452 V C 3.347 179.331 176.094 -0.183 0.000 1.043 452 V CA 2.005 64.308 62.300 0.004 0.000 1.014 452 V CB -1.024 30.906 31.823 0.179 0.000 0.645 452 V HN 0.491 nan 8.190 nan 0.000 0.447 453 A N 0.034 122.679 122.820 -0.291 0.000 1.917 453 A HA -0.277 4.043 4.320 -0.001 0.000 0.219 453 A C 2.382 179.843 177.584 -0.204 0.000 1.182 453 A CA 2.757 54.454 52.037 -0.567 0.000 0.633 453 A CB -1.069 17.820 19.000 -0.185 0.000 0.819 453 A HN 0.544 nan 8.150 nan 0.000 0.448 454 T N -0.674 113.821 114.554 -0.098 0.000 2.708 454 T HA -0.156 4.194 4.350 -0.001 0.000 0.266 454 T C 1.855 176.524 174.700 -0.052 0.000 1.037 454 T CA 1.535 63.606 62.100 -0.049 0.000 1.146 454 T CB -0.267 68.594 68.868 -0.013 0.000 0.865 454 T HN 0.745 nan 8.240 nan 0.000 0.435 455 E N 0.805 120.987 120.200 -0.030 0.000 2.085 455 E HA -0.197 4.152 4.350 -0.001 0.000 0.194 455 E C 2.071 178.636 176.600 -0.059 0.000 0.994 455 E CA 0.991 57.389 56.400 -0.003 0.000 0.801 455 E CB 0.090 29.847 29.700 0.095 0.000 0.743 455 E HN 0.144 nan 8.360 nan 0.000 0.453 456 K N 0.081 120.405 120.400 -0.126 0.000 2.103 456 K HA -0.040 4.280 4.320 -0.001 0.000 0.204 456 K C 2.021 178.582 176.600 -0.064 0.000 1.052 456 K CA 0.975 57.190 56.287 -0.120 0.000 0.945 456 K CB -0.333 31.967 32.500 -0.333 0.000 0.722 456 K HN 0.216 nan 8.250 nan 0.000 0.443 457 A N 1.137 123.885 122.820 -0.121 0.000 1.902 457 A HA -0.114 4.206 4.320 -0.001 0.000 0.217 457 A C 2.489 179.774 177.584 -0.498 0.000 1.181 457 A CA 1.505 53.238 52.037 -0.506 0.000 0.623 457 A CB -0.669 17.971 19.000 -0.599 0.000 0.818 457 A HN 0.044 nan 8.150 nan 0.000 0.443 458 V N 0.118 119.912 119.914 -0.201 0.000 2.287 458 V HA -0.301 3.819 4.120 -0.001 0.000 0.248 458 V C 2.555 178.642 176.094 -0.012 0.000 1.053 458 V CA 2.444 64.706 62.300 -0.063 0.000 1.027 458 V CB -0.736 31.011 31.823 -0.126 0.000 0.646 458 V HN 0.800 nan 8.190 nan 0.000 0.447 459 E N 0.006 120.181 120.200 -0.042 0.000 2.051 459 E HA -0.208 4.142 4.350 -0.001 0.000 0.192 459 E C 2.254 178.879 176.600 0.041 0.000 0.991 459 E CA 1.363 57.770 56.400 0.011 0.000 0.799 459 E CB -0.154 29.552 29.700 0.010 0.000 0.748 459 E HN 0.564 nan 8.360 nan 0.000 0.449 460 L N 0.563 121.795 121.223 0.015 0.000 2.012 460 L HA -0.206 4.133 4.340 -0.001 0.000 0.210 460 L C 2.724 179.642 176.870 0.081 0.000 1.073 460 L CA 1.278 56.171 54.840 0.088 0.000 0.748 460 L CB -0.531 41.653 42.059 0.209 0.000 0.891 460 L HN 0.240 nan 8.230 nan 0.000 0.431 461 A N -0.021 122.763 122.820 -0.060 0.000 1.902 461 A HA -0.201 4.118 4.320 -0.001 0.000 0.217 461 A C 2.547 180.171 177.584 0.067 0.000 1.181 461 A CA 1.769 53.819 52.037 0.020 0.000 0.623 461 A CB -0.827 18.133 19.000 -0.068 0.000 0.818 461 A HN 0.412 nan 8.150 nan 0.000 0.443 462 A N 0.061 122.999 122.820 0.196 0.000 1.948 462 A HA -0.198 4.122 4.320 -0.001 0.000 0.220 462 A C 1.662 179.299 177.584 0.087 0.000 1.177 462 A CA 1.793 53.947 52.037 0.194 0.000 0.636 462 A CB -0.468 18.697 19.000 0.276 0.000 0.815 462 A HN 0.586 nan 8.150 nan 0.000 0.449 463 N N -0.664 118.088 118.700 0.087 0.000 2.203 463 N HA 0.052 4.792 4.740 -0.001 0.000 0.207 463 N C -0.584 174.967 175.510 0.070 0.000 1.130 463 N CA 0.286 53.378 53.050 0.070 0.000 0.861 463 N CB 0.559 39.089 38.487 0.072 0.000 1.005 463 N HN 0.293 nan 8.380 nan 0.000 0.507 464 T N 1.255 115.857 114.554 0.079 0.000 2.795 464 T HA 0.259 4.608 4.350 -0.001 0.000 0.282 464 T C 0.462 175.187 174.700 0.042 0.000 0.980 464 T CA -0.535 61.614 62.100 0.082 0.000 1.012 464 T CB 2.005 70.961 68.868 0.146 0.000 0.936 464 T HN -0.118 nan 8.240 nan 0.000 0.457 465 K N 2.036 122.454 120.400 0.030 0.000 2.295 465 K HA 0.492 4.811 4.320 -0.001 0.000 0.270 465 K C 0.993 177.597 176.600 0.006 0.000 1.011 465 K CA 0.116 56.409 56.287 0.011 0.000 0.953 465 K CB 0.637 33.141 32.500 0.008 0.000 0.956 465 K HN 0.955 nan 8.250 nan 0.000 0.477 466 G N 1.590 110.385 108.800 -0.007 0.000 2.587 466 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.212 466 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.212 466 G C -0.673 174.217 174.900 -0.016 0.000 1.327 466 G CA -0.933 44.162 45.100 -0.009 0.000 0.898 466 G HN 0.447 nan 8.290 nan 0.000 0.551 467 I N 0.879 121.448 120.570 -0.002 0.000 2.301 467 I HA 0.356 4.526 4.170 -0.001 0.000 0.292 467 I C 0.584 176.703 176.117 0.004 0.000 1.046 467 I CA -0.311 60.989 61.300 0.001 0.000 1.282 467 I CB -0.024 38.008 38.000 0.052 0.000 1.409 467 I HN 0.563 nan 8.210 nan 0.000 0.484 468 C N 7.178 126.462 119.300 -0.026 0.000 2.319 468 C HA 0.474 4.934 4.460 -0.001 0.000 0.335 468 C C 0.083 175.041 174.990 -0.053 0.000 1.274 468 C CA -0.606 58.427 59.018 0.024 0.000 1.806 468 C CB 0.618 28.423 27.740 0.108 0.000 2.329 468 C HN 0.595 nan 8.230 nan 0.000 0.524 469 F N 4.443 124.216 119.950 -0.294 0.000 2.458 469 F HA 0.743 5.270 4.527 -0.001 0.000 0.336 469 F C -0.541 175.107 175.800 -0.252 0.000 1.114 469 F CA -1.388 56.259 58.000 -0.588 0.000 0.987 469 F CB 0.581 38.816 39.000 -1.276 0.000 1.130 469 F HN 0.471 nan 8.300 nan 0.000 0.458 470 I N 6.890 126.940 120.570 -0.867 0.000 2.382 470 I HA 0.380 4.550 4.170 -0.001 0.000 0.285 470 I C -0.319 175.129 176.117 -1.116 0.000 1.007 470 I CA -0.781 60.094 61.300 -0.708 0.000 1.142 470 I CB 1.539 39.316 38.000 -0.372 0.000 1.289 470 I HN 0.518 nan 8.210 nan 0.000 0.453 471 R N 5.432 125.310 120.500 -1.038 0.000 2.196 471 R HA 0.388 4.727 4.340 -0.001 0.000 0.340 471 R C -0.209 175.836 176.300 -0.426 0.000 1.043 471 R CA -0.150 55.436 56.100 -0.857 0.000 0.883 471 R CB 0.905 30.708 30.300 -0.828 0.000 1.078 471 R HN 0.778 nan 8.270 nan 0.000 0.462 472 T N 0.005 114.378 114.554 -0.301 0.000 2.948 472 T HA 0.584 4.934 4.350 -0.001 0.000 0.285 472 T C -0.207 174.432 174.700 -0.102 0.000 1.019 472 T CA -0.739 61.274 62.100 -0.145 0.000 1.013 472 T CB 1.851 70.647 68.868 -0.121 0.000 1.117 472 T HN 0.386 nan 8.240 nan 0.000 0.533 473 S N -0.543 115.121 115.700 -0.059 0.000 2.568 473 S HA 0.489 4.958 4.470 -0.001 0.000 0.293 473 S C 0.861 175.368 174.600 -0.155 0.000 1.089 473 S CA -1.054 57.096 58.200 -0.082 0.000 0.945 473 S CB 2.348 65.555 63.200 0.011 0.000 1.077 473 S HN 0.834 nan 8.310 nan 0.000 0.485 474 R N 0.793 121.137 120.500 -0.259 0.000 2.093 474 R HA 0.079 4.419 4.340 -0.001 0.000 0.224 474 R C -1.724 174.485 176.300 -0.152 0.000 1.101 474 R CA 0.423 56.331 56.100 -0.320 0.000 0.979 474 R CB -1.078 28.927 30.300 -0.491 0.000 0.877 474 R HN 0.421 nan 8.270 nan 0.000 0.441 475 P HA 0.040 nan 4.420 nan 0.000 0.271 475 P C -1.354 175.886 177.300 -0.100 0.000 1.216 475 P CA 0.318 63.366 63.100 -0.086 0.000 0.776 475 P CB 0.717 32.374 31.700 -0.071 0.000 0.881 476 E N 2.105 122.247 120.200 -0.096 0.000 2.166 476 E HA 0.139 4.489 4.350 -0.001 0.000 0.279 476 E C -0.310 176.188 176.600 -0.169 0.000 1.095 476 E CA 0.047 56.377 56.400 -0.117 0.000 0.888 476 E CB -0.076 29.573 29.700 -0.085 0.000 1.041 476 E HN 0.433 nan 8.360 nan 0.000 0.414 477 N N 0.815 119.363 118.700 -0.253 0.000 2.471 477 N HA 0.467 5.207 4.740 -0.001 0.000 0.288 477 N C -0.831 174.468 175.510 -0.351 0.000 1.220 477 N CA -0.792 51.991 53.050 -0.445 0.000 0.893 477 N CB 1.247 39.169 38.487 -0.941 0.000 1.256 477 N HN 0.452 nan 8.380 nan 0.000 0.534 478 A N 0.996 123.617 122.820 -0.331 0.000 2.462 478 A HA 0.210 4.530 4.320 -0.001 0.000 0.243 478 A C 0.020 177.573 177.584 -0.052 0.000 1.076 478 A CA -0.233 51.730 52.037 -0.123 0.000 0.773 478 A CB -0.055 18.923 19.000 -0.037 0.000 1.010 478 A HN 0.506 nan 8.150 nan 0.000 0.493 479 I N 3.433 123.977 120.570 -0.042 0.000 2.587 479 I HA -0.024 4.145 4.170 -0.001 0.000 0.284 479 I C 1.245 177.361 176.117 -0.001 0.000 1.134 479 I CA 0.532 61.822 61.300 -0.017 0.000 1.410 479 I CB 0.305 38.305 38.000 -0.000 0.000 1.392 479 I HN 0.758 nan 8.210 nan 0.000 0.545 480 I N 3.817 124.363 120.570 -0.040 0.000 3.939 480 I HA 0.149 4.319 4.170 -0.001 0.000 0.313 480 I C 0.003 175.980 176.117 -0.233 0.000 1.274 480 I CA -0.072 61.121 61.300 -0.178 0.000 1.301 480 I CB 0.097 37.907 38.000 -0.318 0.000 1.105 480 I HN 0.176 nan 8.210 nan 0.000 0.427 481 Y N 3.559 123.906 120.300 0.078 0.000 2.310 481 Y HA 0.365 4.914 4.550 -0.001 0.000 0.326 481 Y C 0.317 176.270 175.900 0.088 0.000 1.151 481 Y CA -1.084 57.074 58.100 0.095 0.000 1.195 481 Y CB 0.507 39.087 38.460 0.200 0.000 1.210 481 Y HN 0.193 nan 8.280 nan 0.000 0.483 482 N N 0.859 119.695 118.700 0.227 0.000 2.424 482 N HA 0.091 4.830 4.740 -0.001 0.000 0.257 482 N C 0.245 175.859 175.510 0.174 0.000 1.250 482 N CA -0.513 52.630 53.050 0.155 0.000 0.946 482 N CB 0.472 39.013 38.487 0.091 0.000 1.175 482 N HN 0.457 nan 8.380 nan 0.000 0.477 483 N N 0.312 119.094 118.700 0.137 0.000 2.381 483 N HA -0.099 4.640 4.740 -0.001 0.000 0.182 483 N C -0.084 175.487 175.510 0.101 0.000 1.025 483 N CA 0.800 53.929 53.050 0.132 0.000 0.888 483 N CB -0.429 38.113 38.487 0.092 0.000 0.965 483 N HN 0.565 nan 8.380 nan 0.000 0.438 484 N N 0.730 119.474 118.700 0.073 0.000 2.461 484 N HA -0.036 4.703 4.740 -0.001 0.000 0.188 484 N C 0.184 175.709 175.510 0.025 0.000 1.134 484 N CA 0.099 53.174 53.050 0.042 0.000 0.878 484 N CB 0.049 38.550 38.487 0.023 0.000 0.972 484 N HN 0.257 nan 8.380 nan 0.000 0.456 485 E N 1.234 121.461 120.200 0.045 0.000 2.384 485 E HA 0.025 4.374 4.350 -0.001 0.000 0.266 485 E C -0.907 175.625 176.600 -0.114 0.000 1.012 485 E CA -0.114 56.240 56.400 -0.077 0.000 0.901 485 E CB 0.414 30.056 29.700 -0.096 0.000 0.967 485 E HN 0.114 nan 8.360 nan 0.000 0.435 486 D N 3.065 123.302 120.400 -0.272 0.000 2.233 486 D HA 0.287 4.926 4.640 -0.001 0.000 0.240 486 D C -1.361 174.662 176.300 -0.461 0.000 1.074 486 D CA -0.317 53.564 54.000 -0.198 0.000 0.838 486 D CB 0.301 41.023 40.800 -0.130 0.000 1.124 486 D HN 0.267 nan 8.370 nan 0.000 0.475 487 F N 1.698 121.496 119.950 -0.253 0.000 2.522 487 F HA 0.478 5.005 4.527 -0.001 0.000 0.324 487 F C 0.373 176.093 175.800 -0.133 0.000 1.077 487 F CA -0.742 57.020 58.000 -0.396 0.000 0.944 487 F CB 2.003 40.530 39.000 -0.788 0.000 1.175 487 F HN 0.184 nan 8.300 nan 0.000 0.468 488 Q N 1.083 120.960 119.800 0.130 0.000 2.389 488 Q HA 0.469 4.809 4.340 -0.001 0.000 0.277 488 Q C -1.247 174.992 176.000 0.398 0.000 1.082 488 Q CA -1.260 54.683 55.803 0.233 0.000 0.810 488 Q CB 3.154 31.958 28.738 0.109 0.000 1.374 488 Q HN 0.362 nan 8.270 nan 0.000 0.422 489 V N 1.716 121.846 119.914 0.360 0.000 2.584 489 V HA 0.076 4.196 4.120 -0.001 0.000 0.303 489 V C 1.290 177.464 176.094 0.134 0.000 1.035 489 V CA 2.210 64.639 62.300 0.215 0.000 1.172 489 V CB 0.090 31.975 31.823 0.104 0.000 0.896 489 V HN 1.130 nan 8.190 nan 0.000 0.486 490 G N 3.547 112.406 108.800 0.099 0.000 2.175 490 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.244 490 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.244 490 G C 0.160 175.113 174.900 0.088 0.000 0.982 490 G CA 0.353 45.489 45.100 0.060 0.000 0.641 490 G HN 0.895 nan 8.290 nan 0.000 0.527 491 Q N 0.394 120.281 119.800 0.146 0.000 2.333 491 Q HA 0.755 5.095 4.340 -0.001 0.000 0.265 491 Q C 0.269 176.346 176.000 0.130 0.000 0.989 491 Q CA -0.002 55.855 55.803 0.091 0.000 0.842 491 Q CB 1.420 30.175 28.738 0.028 0.000 1.262 491 Q HN 0.851 nan 8.270 nan 0.000 0.451 492 A N 3.944 126.815 122.820 0.086 0.000 2.240 492 A HA 0.687 5.006 4.320 -0.001 0.000 0.292 492 A C -0.787 176.812 177.584 0.025 0.000 1.121 492 A CA -0.511 51.585 52.037 0.099 0.000 0.851 492 A CB 0.840 19.887 19.000 0.077 0.000 1.167 492 A HN 0.711 nan 8.150 nan 0.000 0.503 493 K N 0.165 120.596 120.400 0.053 0.000 2.482 493 K HA 0.437 4.756 4.320 -0.001 0.000 0.251 493 K C -1.671 174.963 176.600 0.056 0.000 0.936 493 K CA -0.579 55.727 56.287 0.032 0.000 0.791 493 K CB 1.993 34.545 32.500 0.087 0.000 1.213 493 K HN 0.335 nan 8.250 nan 0.000 0.428 494 V N 3.525 123.453 119.914 0.024 0.000 2.389 494 V HA 0.035 4.155 4.120 -0.001 0.000 0.264 494 V C 1.369 177.468 176.094 0.008 0.000 1.049 494 V CA -0.253 62.054 62.300 0.011 0.000 0.932 494 V CB 0.894 32.715 31.823 -0.003 0.000 1.011 494 V HN 0.643 nan 8.190 nan 0.000 0.475 495 V N 3.346 123.253 119.914 -0.010 0.000 3.608 495 V HA 0.413 4.533 4.120 -0.001 0.000 0.269 495 V C 0.174 176.229 176.094 -0.065 0.000 1.245 495 V CA 0.389 62.656 62.300 -0.056 0.000 1.138 495 V CB 0.174 31.919 31.823 -0.129 0.000 0.841 495 V HN 0.514 nan 8.190 nan 0.000 0.451 496 L N 1.691 122.887 121.223 -0.045 0.000 2.526 496 L HA 0.705 5.045 4.340 -0.001 0.000 0.263 496 L C -0.964 175.890 176.870 -0.027 0.000 0.943 496 L CA -0.475 54.342 54.840 -0.039 0.000 0.859 496 L CB 1.968 44.000 42.059 -0.045 0.000 1.313 496 L HN 0.552 nan 8.230 nan 0.000 0.406 497 K N 2.212 122.599 120.400 -0.022 0.000 2.555 497 K HA 0.951 5.271 4.320 -0.001 0.000 0.279 497 K C -1.564 175.027 176.600 -0.015 0.000 0.986 497 K CA -0.385 55.892 56.287 -0.017 0.000 0.880 497 K CB 2.084 34.576 32.500 -0.014 0.000 1.474 497 K HN 0.649 nan 8.250 nan 0.000 0.433 498 S N -1.386 114.307 115.700 -0.012 0.000 2.643 498 S HA 0.494 4.964 4.470 -0.001 0.000 0.270 498 S C 0.473 175.068 174.600 -0.009 0.000 1.166 498 S CA -0.288 57.906 58.200 -0.011 0.000 0.815 498 S CB 1.223 64.417 63.200 -0.010 0.000 1.139 498 S HN 0.907 nan 8.310 nan 0.000 0.472 499 K N -1.349 119.047 120.400 -0.008 0.000 2.439 499 K HA 0.318 4.637 4.320 -0.001 0.000 0.197 499 K C 0.972 177.569 176.600 -0.006 0.000 1.041 499 K CA 1.553 57.836 56.287 -0.007 0.000 0.970 499 K CB -1.625 30.871 32.500 -0.006 0.000 0.773 499 K HN 1.156 nan 8.250 nan 0.000 0.479 500 D N 1.627 122.023 120.400 -0.006 0.000 2.980 500 D HA 0.276 4.916 4.640 -0.001 0.000 0.333 500 D C -0.919 175.377 176.300 -0.006 0.000 1.356 500 D CA -0.588 53.409 54.000 -0.005 0.000 0.847 500 D CB -0.038 40.759 40.800 -0.005 0.000 1.122 500 D HN 0.373 nan 8.370 nan 0.000 0.475 501 D N 0.915 121.311 120.400 -0.006 0.000 2.308 501 D HA 0.174 4.814 4.640 -0.001 0.000 0.251 501 D C 1.197 177.494 176.300 -0.005 0.000 1.127 501 D CA -0.061 53.935 54.000 -0.006 0.000 0.876 501 D CB 1.969 42.765 40.800 -0.007 0.000 1.176 501 D HN 0.304 nan 8.370 nan 0.000 0.446 502 Q N 0.382 120.179 119.800 -0.005 0.000 2.391 502 Q HA 0.153 4.493 4.340 -0.001 0.000 0.211 502 Q C 0.005 176.002 176.000 -0.004 0.000 0.908 502 Q CA 0.415 56.215 55.803 -0.004 0.000 0.920 502 Q CB 1.401 30.137 28.738 -0.003 0.000 1.056 502 Q HN 0.224 nan 8.270 nan 0.000 0.523 503 V N 0.456 120.367 119.914 -0.004 0.000 3.048 503 V HA 0.242 4.362 4.120 -0.001 0.000 0.303 503 V C -0.647 175.444 176.094 -0.004 0.000 1.214 503 V CA -0.799 61.498 62.300 -0.004 0.000 0.984 503 V CB 2.248 34.069 31.823 -0.003 0.000 1.054 503 V HN -0.092 nan 8.190 nan 0.000 0.430 504 T N 3.011 117.564 114.554 -0.003 0.000 2.733 504 T HA 0.524 4.874 4.350 -0.001 0.000 0.294 504 T C -0.317 174.383 174.700 -0.000 0.000 0.956 504 T CA -0.209 61.890 62.100 -0.002 0.000 0.987 504 T CB 1.057 69.926 68.868 0.001 0.000 0.920 504 T HN 0.403 nan 8.240 nan 0.000 0.470 505 V N 5.796 125.708 119.914 -0.003 0.000 2.370 505 V HA 0.440 4.560 4.120 -0.001 0.000 0.283 505 V C 0.068 176.158 176.094 -0.006 0.000 1.023 505 V CA -0.788 61.511 62.300 -0.002 0.000 0.857 505 V CB 1.189 33.008 31.823 -0.007 0.000 0.985 505 V HN 0.798 nan 8.190 nan 0.000 0.443 506 I N 4.530 125.101 120.570 0.002 0.000 2.312 506 I HA 0.686 4.856 4.170 -0.001 0.000 0.290 506 I C 0.779 176.883 176.117 -0.022 0.000 1.008 506 I CA 0.139 61.436 61.300 -0.005 0.000 1.226 506 I CB 1.479 39.486 38.000 0.012 0.000 1.371 506 I HN 0.738 nan 8.210 nan 0.000 0.468 507 G N 4.216 112.983 108.800 -0.055 0.000 2.730 507 G HA2 0.910 4.869 3.960 -0.001 0.000 0.289 507 G HA3 0.910 4.869 3.960 -0.001 0.000 0.289 507 G C -1.735 173.060 174.900 -0.175 0.000 1.341 507 G CA -0.701 44.343 45.100 -0.093 0.000 0.932 507 G HN 0.767 nan 8.290 nan 0.000 0.481 508 A N -1.528 121.115 122.820 -0.296 0.000 2.604 508 A HA 0.913 5.233 4.320 -0.001 0.000 0.295 508 A C 0.638 177.800 177.584 -0.704 0.000 1.067 508 A CA 0.561 52.238 52.037 -0.599 0.000 0.683 508 A CB 0.972 19.388 19.000 -0.973 0.000 1.281 508 A HN 2.672 nan 8.150 nan 0.000 0.407 509 G N -0.106 108.345 108.800 -0.581 0.000 2.634 509 G HA2 -0.131 3.829 3.960 -0.001 0.000 0.309 509 G HA3 -0.131 3.829 3.960 -0.001 0.000 0.309 509 G C 1.453 176.399 174.900 0.076 0.000 1.265 509 G CA 2.122 47.160 45.100 -0.104 0.000 0.998 509 G HN 2.306 nan 8.290 nan 0.000 0.551 510 V N -1.096 118.890 119.914 0.119 0.000 2.469 510 V HA -0.065 4.054 4.120 -0.001 0.000 0.251 510 V C 3.041 179.187 176.094 0.086 0.000 1.064 510 V CA 3.691 66.064 62.300 0.123 0.000 1.066 510 V CB -1.697 30.173 31.823 0.079 0.000 0.667 510 V HN 1.790 nan 8.190 nan 0.000 0.461 511 T N -1.907 112.660 114.554 0.023 0.000 3.035 511 T HA -0.035 4.315 4.350 -0.001 0.000 0.268 511 T C 1.782 176.450 174.700 -0.053 0.000 1.109 511 T CA 1.426 63.524 62.100 -0.005 0.000 1.119 511 T CB -0.273 68.590 68.868 -0.009 0.000 0.900 511 T HN 0.445 nan 8.240 nan 0.000 0.503 512 L N 0.848 121.999 121.223 -0.120 0.000 2.072 512 L HA 0.025 4.364 4.340 -0.001 0.000 0.205 512 L C 2.679 179.395 176.870 -0.256 0.000 1.079 512 L CA 1.659 56.372 54.840 -0.213 0.000 0.752 512 L CB -0.597 41.273 42.059 -0.315 0.000 0.906 512 L HN 0.299 nan 8.230 nan 0.000 0.436 513 H N -0.588 118.450 119.070 -0.053 0.000 2.389 513 H HA -0.062 4.494 4.556 -0.001 0.000 0.299 513 H C 2.011 177.320 175.328 -0.031 0.000 1.081 513 H CA 1.375 57.396 56.048 -0.045 0.000 1.345 513 H CB 0.145 29.881 29.762 -0.043 0.000 1.393 513 H HN 0.407 nan 8.280 nan 0.000 0.520 514 E N 0.923 121.165 120.200 0.070 0.000 2.072 514 E HA -0.080 4.270 4.350 -0.001 0.000 0.191 514 E C 2.483 179.089 176.600 0.009 0.000 0.985 514 E CA 0.824 57.248 56.400 0.039 0.000 0.801 514 E CB -0.293 29.430 29.700 0.038 0.000 0.750 514 E HN 0.388 nan 8.360 nan 0.000 0.452 515 A N 1.471 124.281 122.820 -0.015 0.000 1.883 515 A HA -0.182 4.138 4.320 -0.001 0.000 0.217 515 A C 2.429 179.994 177.584 -0.032 0.000 1.186 515 A CA 1.391 53.412 52.037 -0.027 0.000 0.624 515 A CB -0.878 18.095 19.000 -0.045 0.000 0.822 515 A HN 0.198 nan 8.150 nan 0.000 0.444 516 L N -0.940 120.253 121.223 -0.051 0.000 2.079 516 L HA -0.229 4.110 4.340 -0.001 0.000 0.210 516 L C 3.073 179.933 176.870 -0.017 0.000 1.081 516 L CA 1.133 55.946 54.840 -0.046 0.000 0.752 516 L CB -0.518 41.500 42.059 -0.068 0.000 0.896 516 L HN 0.468 nan 8.230 nan 0.000 0.433 517 A N -0.182 122.638 122.820 0.000 0.000 1.897 517 A HA -0.085 4.235 4.320 -0.001 0.000 0.215 517 A C 2.552 180.138 177.584 0.003 0.000 1.181 517 A CA 1.413 53.455 52.037 0.008 0.000 0.620 517 A CB -0.647 18.365 19.000 0.019 0.000 0.821 517 A HN 0.375 nan 8.150 nan 0.000 0.443 518 A N 0.154 122.976 122.820 0.003 0.000 1.908 518 A HA 0.078 4.397 4.320 -0.001 0.000 0.218 518 A C 2.501 180.084 177.584 -0.003 0.000 1.181 518 A CA 2.255 54.293 52.037 0.002 0.000 0.627 518 A CB -1.084 17.918 19.000 0.004 0.000 0.818 518 A HN 1.116 nan 8.150 nan 0.000 0.445 519 A N -0.442 122.372 122.820 -0.009 0.000 1.917 519 A HA -0.222 4.097 4.320 -0.001 0.000 0.219 519 A C 1.976 179.555 177.584 -0.009 0.000 1.182 519 A CA 2.313 54.343 52.037 -0.011 0.000 0.633 519 A CB -0.509 18.480 19.000 -0.019 0.000 0.819 519 A HN 0.552 nan 8.150 nan 0.000 0.448 520 E N 0.018 120.213 120.200 -0.007 0.000 2.072 520 E HA -0.109 4.241 4.350 -0.001 0.000 0.191 520 E C 1.861 178.460 176.600 -0.003 0.000 0.985 520 E CA 1.229 57.626 56.400 -0.005 0.000 0.801 520 E CB -0.364 29.334 29.700 -0.004 0.000 0.750 520 E HN 0.620 nan 8.360 nan 0.000 0.452 521 L N -0.222 121.001 121.223 -0.000 0.000 2.017 521 L HA -0.160 4.179 4.340 -0.001 0.000 0.208 521 L C 2.503 179.373 176.870 0.000 0.000 1.073 521 L CA 1.003 55.843 54.840 0.001 0.000 0.745 521 L CB -0.474 41.587 42.059 0.003 0.000 0.894 521 L HN 0.179 nan 8.230 nan 0.000 0.432 522 L N 0.249 121.471 121.223 -0.001 0.000 2.141 522 L HA -0.205 4.134 4.340 -0.001 0.000 0.209 522 L C 3.183 180.052 176.870 -0.002 0.000 1.094 522 L CA 1.520 56.359 54.840 -0.001 0.000 0.763 522 L CB -0.880 41.179 42.059 -0.001 0.000 0.908 522 L HN 0.262 nan 8.230 nan 0.000 0.437 523 K N 0.858 121.256 120.400 -0.004 0.000 2.280 523 K HA -0.148 4.171 4.320 -0.001 0.000 0.202 523 K C 2.366 178.964 176.600 -0.003 0.000 1.047 523 K CA 1.730 58.014 56.287 -0.004 0.000 0.942 523 K CB -1.247 31.250 32.500 -0.006 0.000 0.739 523 K HN 0.451 nan 8.250 nan 0.000 0.457 524 K N 1.516 121.915 120.400 -0.002 0.000 2.103 524 K HA -0.167 4.152 4.320 -0.001 0.000 0.207 524 K C 1.970 178.570 176.600 -0.001 0.000 1.048 524 K CA 1.875 58.161 56.287 -0.001 0.000 0.930 524 K CB -0.507 31.993 32.500 -0.001 0.000 0.716 524 K HN 0.820 nan 8.250 nan 0.000 0.444 525 E N -0.268 119.932 120.200 -0.001 0.000 2.437 525 E HA 0.141 4.491 4.350 -0.001 0.000 0.189 525 E C -0.484 176.116 176.600 -0.001 0.000 1.054 525 E CA -0.239 56.161 56.400 -0.001 0.000 0.874 525 E CB 0.235 29.935 29.700 0.000 0.000 1.011 525 E HN 0.456 nan 8.360 nan 0.000 0.474 526 K N 0.543 120.942 120.400 -0.002 0.000 3.129 526 K HA -0.195 4.125 4.320 -0.001 0.000 0.273 526 K C -0.577 176.021 176.600 -0.003 0.000 1.123 526 K CA 0.547 56.833 56.287 -0.003 0.000 0.800 526 K CB -1.602 30.896 32.500 -0.002 0.000 1.238 526 K HN 0.305 nan 8.250 nan 0.000 0.492 527 I N 1.617 122.185 120.570 -0.003 0.000 2.330 527 I HA 0.181 4.350 4.170 -0.001 0.000 0.289 527 I C 0.125 176.239 176.117 -0.005 0.000 1.001 527 I CA -0.835 60.464 61.300 -0.003 0.000 1.193 527 I CB 1.165 39.164 38.000 -0.002 0.000 1.345 527 I HN 0.012 nan 8.210 nan 0.000 0.461 528 N N 7.530 126.227 118.700 -0.005 0.000 2.473 528 N HA 0.620 5.360 4.740 -0.001 0.000 0.291 528 N C -0.624 174.881 175.510 -0.008 0.000 1.083 528 N CA -0.363 52.682 53.050 -0.007 0.000 0.951 528 N CB 2.183 40.666 38.487 -0.008 0.000 1.164 528 N HN 0.567 nan 8.380 nan 0.000 0.480 529 I N -2.164 118.400 120.570 -0.010 0.000 2.785 529 I HA 0.591 4.760 4.170 -0.001 0.000 0.302 529 I C -0.163 175.946 176.117 -0.013 0.000 1.069 529 I CA -1.182 60.112 61.300 -0.010 0.000 1.045 529 I CB 2.401 40.395 38.000 -0.009 0.000 1.236 529 I HN 0.172 nan 8.210 nan 0.000 0.429 530 R N 3.754 124.247 120.500 -0.012 0.000 2.254 530 R HA 0.656 4.995 4.340 -0.001 0.000 0.318 530 R C -1.513 174.778 176.300 -0.016 0.000 1.031 530 R CA -0.456 55.636 56.100 -0.014 0.000 0.905 530 R CB 1.418 31.713 30.300 -0.009 0.000 1.050 530 R HN 0.674 nan 8.270 nan 0.000 0.456 531 V N 6.869 126.769 119.914 -0.024 0.000 2.370 531 V HA 0.368 4.488 4.120 -0.001 0.000 0.283 531 V C -0.351 175.728 176.094 -0.025 0.000 1.023 531 V CA -0.773 61.508 62.300 -0.032 0.000 0.857 531 V CB 1.410 33.203 31.823 -0.051 0.000 0.985 531 V HN 0.682 nan 8.190 nan 0.000 0.443 532 L N 3.871 125.084 121.223 -0.016 0.000 2.356 532 L HA 0.688 5.028 4.340 -0.001 0.000 0.277 532 L C -1.022 175.852 176.870 0.007 0.000 0.996 532 L CA -0.401 54.441 54.840 0.004 0.000 0.822 532 L CB 1.983 44.048 42.059 0.010 0.000 1.256 532 L HN 0.650 nan 8.230 nan 0.000 0.413 533 D N 6.403 126.831 120.400 0.047 0.000 2.373 533 D HA 0.361 5.001 4.640 -0.001 0.000 0.227 533 D C -1.782 174.592 176.300 0.123 0.000 1.091 533 D CA -2.211 51.834 54.000 0.075 0.000 0.840 533 D CB 1.797 42.699 40.800 0.171 0.000 1.060 533 D HN 0.268 nan 8.370 nan 0.000 0.502 534 P HA -0.066 nan 4.420 nan 0.000 0.220 534 P C 0.940 178.378 177.300 0.230 0.000 1.148 534 P CA 0.343 63.509 63.100 0.110 0.000 0.803 534 P CB 0.139 31.868 31.700 0.048 0.000 0.782 535 F N -0.689 119.306 119.950 0.074 0.000 2.560 535 F HA -0.287 4.239 4.527 -0.001 0.000 0.695 535 F C 0.069 175.928 175.800 0.098 0.000 0.486 535 F CA 2.510 60.589 58.000 0.132 0.000 0.722 535 F CB -2.135 36.994 39.000 0.216 0.000 1.608 535 F HN 0.126 nan 8.300 nan 0.000 0.266 536 T N 0.449 114.949 114.554 -0.090 0.000 2.797 536 T HA 0.630 4.979 4.350 -0.001 0.000 0.279 536 T C 1.007 175.640 174.700 -0.112 0.000 0.991 536 T CA -0.274 61.651 62.100 -0.291 0.000 0.979 536 T CB 1.751 70.379 68.868 -0.400 0.000 0.943 536 T HN 0.257 nan 8.240 nan 0.000 0.444 537 I N 0.857 121.364 120.570 -0.106 0.000 2.716 537 I HA 0.240 4.409 4.170 -0.001 0.000 0.259 537 I C 1.043 177.123 176.117 -0.062 0.000 1.172 537 I CA 0.912 62.186 61.300 -0.043 0.000 1.478 537 I CB -0.793 37.206 38.000 -0.002 0.000 1.104 537 I HN 0.757 nan 8.210 nan 0.000 0.439 538 K N 2.945 123.279 120.400 -0.111 0.000 2.601 538 K HA 0.359 4.678 4.320 -0.001 0.000 0.249 538 K C -2.843 173.662 176.600 -0.158 0.000 0.966 538 K CA -1.545 54.684 56.287 -0.098 0.000 0.827 538 K CB 2.599 35.062 32.500 -0.062 0.000 1.178 538 K HN -0.224 nan 8.250 nan 0.000 0.437 539 P HA 0.052 nan 4.420 nan 0.000 0.275 539 P C -0.823 176.449 177.300 -0.048 0.000 1.228 539 P CA -0.653 62.410 63.100 -0.061 0.000 0.786 539 P CB 0.875 32.550 31.700 -0.041 0.000 0.927 540 L N 2.453 123.662 121.223 -0.023 0.000 2.334 540 L HA 0.286 4.625 4.340 -0.001 0.000 0.277 540 L C 0.503 177.379 176.870 0.010 0.000 1.075 540 L CA -0.009 54.828 54.840 -0.004 0.000 0.804 540 L CB 0.212 42.271 42.059 -0.000 0.000 1.174 540 L HN 0.254 nan 8.230 nan 0.000 0.438 541 D N 3.582 123.997 120.400 0.024 0.000 2.551 541 D HA 0.040 4.679 4.640 -0.001 0.000 0.223 541 D C 1.347 177.659 176.300 0.021 0.000 1.144 541 D CA 0.178 54.194 54.000 0.027 0.000 1.025 541 D CB 0.122 40.946 40.800 0.040 0.000 1.085 541 D HN 0.543 nan 8.370 nan 0.000 0.506 542 R N 2.494 123.004 120.500 0.016 0.000 2.103 542 R HA -0.178 4.161 4.340 -0.001 0.000 0.242 542 R C 1.919 178.227 176.300 0.013 0.000 1.142 542 R CA 1.288 57.397 56.100 0.015 0.000 0.960 542 R CB 0.161 30.468 30.300 0.013 0.000 0.858 542 R HN 0.218 nan 8.270 nan 0.000 0.439 543 K N 0.207 120.613 120.400 0.011 0.000 2.025 543 K HA -0.165 4.155 4.320 -0.001 0.000 0.207 543 K C 2.061 178.666 176.600 0.008 0.000 1.049 543 K CA 1.264 57.556 56.287 0.008 0.000 0.933 543 K CB -0.178 32.326 32.500 0.006 0.000 0.714 543 K HN 0.157 nan 8.250 nan 0.000 0.438 544 L N 1.812 123.041 121.223 0.009 0.000 2.083 544 L HA -0.101 4.239 4.340 -0.001 0.000 0.209 544 L C 2.010 178.886 176.870 0.010 0.000 1.083 544 L CA 1.343 56.187 54.840 0.007 0.000 0.752 544 L CB -0.287 41.777 42.059 0.008 0.000 0.899 544 L HN 0.223 nan 8.230 nan 0.000 0.433 545 I N -1.629 118.949 120.570 0.014 0.000 2.179 545 I HA -0.307 3.862 4.170 -0.001 0.000 0.242 545 I C 2.187 178.311 176.117 0.012 0.000 1.088 545 I CA 0.819 62.128 61.300 0.015 0.000 1.357 545 I CB -0.314 37.699 38.000 0.020 0.000 1.051 545 I HN 0.230 nan 8.210 nan 0.000 0.409 546 L N 0.418 121.647 121.223 0.011 0.000 2.017 546 L HA -0.237 4.103 4.340 -0.001 0.000 0.208 546 L C 2.111 178.984 176.870 0.006 0.000 1.073 546 L CA 1.894 56.739 54.840 0.009 0.000 0.745 546 L CB -1.145 40.919 42.059 0.009 0.000 0.894 546 L HN 0.223 nan 8.230 nan 0.000 0.432 547 D N -1.207 119.196 120.400 0.004 0.000 2.144 547 D HA -0.132 4.508 4.640 -0.001 0.000 0.199 547 D C 2.320 178.620 176.300 0.001 0.000 0.984 547 D CA 1.287 55.288 54.000 0.002 0.000 0.834 547 D CB -0.009 40.791 40.800 0.000 0.000 0.955 547 D HN 0.202 nan 8.370 nan 0.000 0.465 548 S N 0.288 115.990 115.700 0.002 0.000 2.355 548 S HA -0.086 4.383 4.470 -0.001 0.000 0.222 548 S C 2.113 176.713 174.600 0.001 0.000 1.031 548 S CA 1.038 59.238 58.200 0.001 0.000 0.993 548 S CB -0.204 62.997 63.200 0.002 0.000 0.859 548 S HN 0.366 nan 8.310 nan 0.000 0.453 549 A N 1.793 124.615 122.820 0.003 0.000 1.933 549 A HA -0.095 4.225 4.320 -0.001 0.000 0.218 549 A C 2.090 179.675 177.584 0.001 0.000 1.175 549 A CA 1.285 53.324 52.037 0.002 0.000 0.628 549 A CB -0.466 18.537 19.000 0.005 0.000 0.814 549 A HN 0.398 nan 8.150 nan 0.000 0.444 550 R N -0.671 119.830 120.500 0.001 0.000 2.152 550 R HA -0.053 4.286 4.340 -0.001 0.000 0.232 550 R C 1.993 178.293 176.300 -0.001 0.000 1.117 550 R CA 1.026 57.126 56.100 0.000 0.000 0.981 550 R CB -0.303 29.998 30.300 0.001 0.000 0.870 550 R HN 0.501 nan 8.270 nan 0.000 0.451 551 A N 0.261 123.080 122.820 -0.002 0.000 2.251 551 A HA -0.010 4.309 4.320 -0.001 0.000 0.209 551 A C 1.070 178.652 177.584 -0.003 0.000 1.187 551 A CA 0.864 52.899 52.037 -0.003 0.000 0.823 551 A CB 0.144 19.142 19.000 -0.004 0.000 0.846 551 A HN 0.311 nan 8.150 nan 0.000 0.486 552 T N -4.587 109.965 114.554 -0.003 0.000 3.483 552 T HA 0.501 4.850 4.350 -0.001 0.000 0.258 552 T C 0.396 175.094 174.700 -0.003 0.000 1.013 552 T CA 0.888 62.986 62.100 -0.003 0.000 1.078 552 T CB -0.247 68.619 68.868 -0.003 0.000 1.111 552 T HN 1.292 nan 8.240 nan 0.000 0.538 553 K N -0.021 120.377 120.400 -0.003 0.000 3.160 553 K HA -0.055 4.265 4.320 -0.001 0.000 0.280 553 K C 1.802 178.400 176.600 -0.003 0.000 1.154 553 K CA 1.537 57.823 56.287 -0.002 0.000 0.822 553 K CB -2.842 29.657 32.500 -0.003 0.000 1.239 553 K HN 2.375 nan 8.250 nan 0.000 0.489 554 G N -1.759 107.040 108.800 -0.002 0.000 2.184 554 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.264 554 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.264 554 G C 0.165 175.063 174.900 -0.004 0.000 0.975 554 G CA 0.703 45.802 45.100 -0.002 0.000 0.642 554 G HN 1.209 nan 8.290 nan 0.000 0.536 555 R N -0.080 120.417 120.500 -0.005 0.000 2.229 555 R HA 0.653 4.993 4.340 -0.001 0.000 0.328 555 R C 0.015 176.311 176.300 -0.007 0.000 1.009 555 R CA -0.345 55.750 56.100 -0.009 0.000 0.864 555 R CB 0.947 31.242 30.300 -0.008 0.000 1.085 555 R HN 0.315 nan 8.270 nan 0.000 0.453 556 I N 4.031 124.594 120.570 -0.012 0.000 2.465 556 I HA 0.307 4.476 4.170 -0.001 0.000 0.291 556 I C -0.977 175.130 176.117 -0.016 0.000 1.014 556 I CA -1.163 60.134 61.300 -0.006 0.000 1.093 556 I CB 1.964 39.967 38.000 0.005 0.000 1.267 556 I HN 0.297 nan 8.210 nan 0.000 0.431 557 L N 6.455 127.678 121.223 0.000 0.000 2.356 557 L HA 0.594 4.933 4.340 -0.001 0.000 0.277 557 L C -0.087 176.808 176.870 0.041 0.000 0.996 557 L CA 0.055 54.900 54.840 0.008 0.000 0.822 557 L CB 1.805 43.870 42.059 0.010 0.000 1.256 557 L HN 0.702 nan 8.230 nan 0.000 0.413 558 T N 2.175 116.786 114.554 0.094 0.000 2.829 558 T HA 0.679 5.028 4.350 -0.001 0.000 0.282 558 T C -0.585 174.168 174.700 0.089 0.000 0.990 558 T CA -0.724 61.446 62.100 0.116 0.000 1.028 558 T CB 1.560 70.554 68.868 0.210 0.000 0.951 558 T HN 0.661 nan 8.240 nan 0.000 0.460 559 V N 3.543 123.480 119.914 0.038 0.000 2.577 559 V HA 0.731 4.851 4.120 -0.001 0.000 0.303 559 V C -1.304 174.791 176.094 0.001 0.000 1.042 559 V CA -0.572 61.740 62.300 0.021 0.000 0.872 559 V CB 1.358 33.195 31.823 0.023 0.000 0.998 559 V HN 1.197 nan 8.190 nan 0.000 0.423 560 E N 3.441 123.638 120.200 -0.005 0.000 2.343 560 E HA 0.389 4.738 4.350 -0.001 0.000 0.278 560 E C -1.665 174.956 176.600 0.035 0.000 0.910 560 E CA -0.831 55.584 56.400 0.024 0.000 0.757 560 E CB 2.145 31.851 29.700 0.010 0.000 1.218 560 E HN 0.446 nan 8.360 nan 0.000 0.435 561 D N 2.281 122.736 120.400 0.092 0.000 2.517 561 D HA 0.173 4.812 4.640 -0.001 0.000 0.220 561 D C -1.192 175.137 176.300 0.048 0.000 1.158 561 D CA 0.470 54.499 54.000 0.049 0.000 0.992 561 D CB -0.300 40.543 40.800 0.072 0.000 1.058 561 D HN 0.536 nan 8.370 nan 0.000 0.516 562 H N 1.952 120.925 119.070 -0.161 0.000 3.020 562 H HA 0.014 4.569 4.556 -0.001 0.000 0.303 562 H C -0.950 174.260 175.328 -0.196 0.000 1.332 562 H CA -0.507 55.413 56.048 -0.214 0.000 1.282 562 H CB 0.331 30.032 29.762 -0.100 0.000 1.928 562 H HN -0.018 nan 8.280 nan 0.000 0.519 563 Y N 1.408 121.555 120.300 -0.255 0.000 2.394 563 Y HA -0.062 4.487 4.550 -0.001 0.000 0.351 563 Y C 1.550 177.509 175.900 0.099 0.000 1.272 563 Y CA 0.583 58.645 58.100 -0.062 0.000 1.508 563 Y CB 0.109 38.502 38.460 -0.112 0.000 1.369 563 Y HN 0.577 nan 8.280 nan 0.000 0.639 564 Y N -0.469 119.989 120.300 0.263 0.000 2.242 564 Y HA -0.123 4.426 4.550 -0.001 0.000 0.291 564 Y C 0.736 176.701 175.900 0.109 0.000 1.137 564 Y CA 0.949 59.133 58.100 0.141 0.000 1.181 564 Y CB -0.067 38.447 38.460 0.089 0.000 0.989 564 Y HN 0.491 nan 8.280 nan 0.000 0.527 565 E N -0.545 119.822 120.200 0.278 0.000 2.259 565 E HA 0.345 4.695 4.350 -0.001 0.000 0.281 565 E C 0.977 177.692 176.600 0.192 0.000 1.037 565 E CA 0.706 57.212 56.400 0.177 0.000 0.854 565 E CB 0.810 30.584 29.700 0.123 0.000 1.051 565 E HN 0.347 nan 8.360 nan 0.000 0.409 566 G N 2.163 111.023 108.800 0.100 0.000 2.184 566 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.264 566 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.264 566 G C 0.690 175.570 174.900 -0.034 0.000 0.975 566 G CA 0.055 45.194 45.100 0.064 0.000 0.642 566 G HN 0.801 nan 8.290 nan 0.000 0.536 567 G N -0.533 108.201 108.800 -0.111 0.000 2.531 567 G HA2 0.594 4.554 3.960 -0.001 0.000 0.253 567 G HA3 0.594 4.554 3.960 -0.001 0.000 0.253 567 G C 1.356 176.120 174.900 -0.226 0.000 1.439 567 G CA -0.128 44.720 45.100 -0.419 0.000 1.056 567 G HN 0.355 nan 8.290 nan 0.000 0.555 568 I N 0.705 121.156 120.570 -0.199 0.000 2.252 568 I HA -0.090 4.079 4.170 -0.001 0.000 0.245 568 I C 2.989 179.056 176.117 -0.082 0.000 1.102 568 I CA 1.269 62.513 61.300 -0.094 0.000 1.385 568 I CB -0.570 37.405 38.000 -0.042 0.000 1.064 568 I HN 0.544 nan 8.210 nan 0.000 0.414 569 G N 0.712 109.421 108.800 -0.151 0.000 2.446 569 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.217 569 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.217 569 G C 1.548 176.270 174.900 -0.296 0.000 1.168 569 G CA 0.644 45.566 45.100 -0.297 0.000 0.771 569 G HN 0.423 nan 8.290 nan 0.000 0.551 570 E N 0.464 120.524 120.200 -0.234 0.000 2.208 570 E HA 0.054 4.403 4.350 -0.001 0.000 0.193 570 E C 2.886 179.472 176.600 -0.023 0.000 0.988 570 E CA 0.525 56.869 56.400 -0.094 0.000 0.828 570 E CB -0.089 29.582 29.700 -0.049 0.000 0.763 570 E HN 0.424 nan 8.360 nan 0.000 0.478 571 A N 0.981 123.781 122.820 -0.033 0.000 1.930 571 A HA -0.102 4.218 4.320 -0.001 0.000 0.217 571 A C 2.448 180.041 177.584 0.016 0.000 1.175 571 A CA 0.895 52.926 52.037 -0.009 0.000 0.627 571 A CB -0.376 18.611 19.000 -0.022 0.000 0.815 571 A HN 0.086 nan 8.150 nan 0.000 0.443 572 V N -0.463 119.472 119.914 0.034 0.000 2.323 572 V HA -0.169 3.950 4.120 -0.001 0.000 0.244 572 V C 2.742 178.890 176.094 0.090 0.000 1.041 572 V CA 2.119 64.458 62.300 0.065 0.000 1.025 572 V CB -0.786 31.090 31.823 0.089 0.000 0.656 572 V HN 0.531 nan 8.190 nan 0.000 0.451 573 S N 0.647 116.429 115.700 0.138 0.000 2.374 573 S HA -0.239 4.230 4.470 -0.001 0.000 0.227 573 S C 2.230 176.879 174.600 0.081 0.000 1.037 573 S CA 1.992 60.278 58.200 0.143 0.000 1.024 573 S CB -0.403 62.928 63.200 0.219 0.000 0.861 573 S HN 0.764 nan 8.310 nan 0.000 0.456 574 S N 1.447 117.183 115.700 0.059 0.000 2.436 574 S HA 0.163 4.632 4.470 -0.001 0.000 0.228 574 S C 1.905 176.524 174.600 0.032 0.000 1.014 574 S CA 0.781 59.006 58.200 0.041 0.000 0.950 574 S CB -0.281 62.938 63.200 0.031 0.000 0.784 574 S HN 0.464 nan 8.310 nan 0.000 0.504 575 A N 1.198 124.037 122.820 0.032 0.000 2.014 575 A HA 0.170 4.489 4.320 -0.001 0.000 0.218 575 A C 2.216 179.815 177.584 0.026 0.000 1.163 575 A CA 1.442 53.494 52.037 0.025 0.000 0.652 575 A CB -0.627 18.387 19.000 0.023 0.000 0.808 575 A HN 1.235 nan 8.150 nan 0.000 0.449 576 V N -3.611 116.323 119.914 0.033 0.000 3.605 576 V HA 0.310 4.429 4.120 -0.001 0.000 0.284 576 V C 0.961 177.071 176.094 0.027 0.000 1.386 576 V CA 0.064 62.380 62.300 0.028 0.000 1.053 576 V CB -0.633 31.207 31.823 0.029 0.000 0.857 576 V HN 0.176 nan 8.190 nan 0.000 0.436 577 V N 3.212 123.145 119.914 0.032 0.000 2.644 577 V HA 0.445 4.564 4.120 -0.001 0.000 0.305 577 V C 1.640 177.747 176.094 0.021 0.000 1.053 577 V CA 1.835 64.153 62.300 0.030 0.000 1.186 577 V CB 0.130 31.974 31.823 0.034 0.000 0.895 577 V HN 1.481 nan 8.190 nan 0.000 0.490 578 G N 4.087 112.898 108.800 0.018 0.000 2.176 578 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.253 578 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.253 578 G C 0.085 174.992 174.900 0.011 0.000 0.979 578 G CA 0.281 45.389 45.100 0.014 0.000 0.641 578 G HN 0.802 nan 8.290 nan 0.000 0.530 579 E N 0.769 120.977 120.200 0.012 0.000 2.360 579 E HA 0.252 4.601 4.350 -0.001 0.000 0.269 579 E C -1.024 175.580 176.600 0.008 0.000 1.022 579 E CA -1.159 55.247 56.400 0.010 0.000 0.887 579 E CB 1.117 30.824 29.700 0.011 0.000 0.990 579 E HN 0.171 nan 8.360 nan 0.000 0.426 580 P HA -0.095 nan 4.420 nan 0.000 0.216 580 P C 1.273 178.576 177.300 0.003 0.000 1.153 580 P CA 1.135 64.237 63.100 0.005 0.000 0.848 580 P CB 0.192 31.894 31.700 0.004 0.000 0.787 581 G N -0.573 108.229 108.800 0.003 0.000 2.470 581 G HA2 -0.100 3.860 3.960 -0.001 0.000 0.220 581 G HA3 -0.100 3.860 3.960 -0.001 0.000 0.220 581 G C 0.612 175.513 174.900 0.001 0.000 1.121 581 G CA 0.307 45.408 45.100 0.002 0.000 0.766 581 G HN 0.237 nan 8.290 nan 0.000 0.553 582 I N 1.762 122.333 120.570 0.002 0.000 2.378 582 I HA 0.314 4.484 4.170 -0.001 0.000 0.291 582 I C -0.170 175.945 176.117 -0.002 0.000 0.992 582 I CA -0.489 60.812 61.300 0.001 0.000 1.154 582 I CB 1.765 39.768 38.000 0.006 0.000 1.315 582 I HN -0.021 nan 8.210 nan 0.000 0.448 583 T N 2.859 117.407 114.554 -0.009 0.000 2.887 583 T HA 0.770 5.120 4.350 -0.001 0.000 0.288 583 T C -0.567 174.112 174.700 -0.035 0.000 1.021 583 T CA -0.749 61.339 62.100 -0.020 0.000 1.000 583 T CB 2.342 71.197 68.868 -0.022 0.000 1.034 583 T HN 0.241 nan 8.240 nan 0.000 0.467 584 V N 2.544 122.417 119.914 -0.068 0.000 2.577 584 V HA 0.710 4.829 4.120 -0.001 0.000 0.303 584 V C 0.184 176.113 176.094 -0.275 0.000 1.042 584 V CA -0.807 61.413 62.300 -0.132 0.000 0.872 584 V CB 1.745 33.510 31.823 -0.097 0.000 0.998 584 V HN 1.300 nan 8.190 nan 0.000 0.423 585 T N 0.566 114.955 114.554 -0.274 0.000 2.908 585 T HA 0.710 5.059 4.350 -0.001 0.000 0.290 585 T C -0.879 173.634 174.700 -0.312 0.000 1.034 585 T CA -0.765 61.154 62.100 -0.301 0.000 1.010 585 T CB 1.907 70.718 68.868 -0.094 0.000 1.068 585 T HN 0.609 nan 8.240 nan 0.000 0.481 586 H N 1.482 120.625 119.070 0.121 0.000 2.529 586 H HA 0.516 5.071 4.556 -0.001 0.000 0.348 586 H C -0.742 174.694 175.328 0.180 0.000 1.079 586 H CA -0.985 55.148 56.048 0.141 0.000 1.198 586 H CB 1.616 31.510 29.762 0.219 0.000 1.521 586 H HN 0.518 nan 8.280 nan 0.000 0.514 587 L N 2.284 123.633 121.223 0.209 0.000 2.313 587 L HA 0.731 5.070 4.340 -0.001 0.000 0.283 587 L C 0.171 176.994 176.870 -0.079 0.000 1.013 587 L CA -0.528 54.392 54.840 0.133 0.000 0.816 587 L CB 1.409 43.531 42.059 0.105 0.000 1.236 587 L HN 0.692 nan 8.230 nan 0.000 0.419 588 A N 2.893 125.547 122.820 -0.276 0.000 2.515 588 A HA 0.764 5.084 4.320 -0.001 0.000 0.299 588 A C -1.332 176.155 177.584 -0.162 0.000 1.179 588 A CA -0.506 51.221 52.037 -0.517 0.000 0.656 588 A CB 1.321 19.581 19.000 -1.235 0.000 1.306 588 A HN 0.225 nan 8.150 nan 0.000 0.459 589 V N 2.402 122.286 119.914 -0.050 0.000 2.461 589 V HA 0.222 4.342 4.120 -0.001 0.000 0.275 589 V C 0.838 177.243 176.094 0.518 0.000 1.047 589 V CA 0.167 62.592 62.300 0.208 0.000 0.955 589 V CB 0.875 32.654 31.823 -0.072 0.000 0.988 589 V HN 0.950 nan 8.190 nan 0.000 0.471 590 N N 4.921 123.965 118.700 0.575 0.000 2.280 590 N HA 0.048 4.788 4.740 -0.001 0.000 0.192 590 N C 0.341 176.003 175.510 0.254 0.000 1.109 590 N CA -0.150 53.172 53.050 0.453 0.000 0.855 590 N CB 0.466 39.134 38.487 0.302 0.000 0.974 590 N HN 0.830 nan 8.380 nan 0.000 0.482 591 R N -2.197 118.476 120.500 0.288 0.000 2.728 591 R HA 0.365 4.704 4.340 -0.001 0.000 0.274 591 R C -1.519 174.905 176.300 0.207 0.000 1.030 591 R CA -0.865 55.333 56.100 0.163 0.000 0.876 591 R CB 0.464 30.884 30.300 0.199 0.000 1.259 591 R HN -0.223 nan 8.270 nan 0.000 0.468 592 V N 2.799 122.790 119.914 0.128 0.000 2.539 592 V HA 0.036 4.156 4.120 -0.001 0.000 0.300 592 V C -1.602 174.566 176.094 0.124 0.000 1.019 592 V CA -0.150 62.237 62.300 0.145 0.000 1.160 592 V CB -0.074 31.807 31.823 0.096 0.000 0.901 592 V HN 0.669 nan 8.190 nan 0.000 0.481 593 P HA 0.547 nan 4.420 nan 0.000 0.329 593 P C -0.631 176.761 177.300 0.154 0.000 1.319 593 P CA -0.667 62.431 63.100 -0.003 0.000 0.742 593 P CB 0.587 32.087 31.700 -0.332 0.000 1.564 594 R N -3.446 117.170 120.500 0.193 0.000 2.756 594 R HA 0.641 4.981 4.340 -0.001 0.000 0.273 594 R C -1.138 175.245 176.300 0.139 0.000 1.030 594 R CA -0.861 55.335 56.100 0.160 0.000 0.887 594 R CB -0.041 30.366 30.300 0.179 0.000 1.274 594 R HN 0.110 nan 8.270 nan 0.000 0.461 595 S N -0.948 114.815 115.700 0.106 0.000 2.584 595 S HA 0.780 5.250 4.470 -0.001 0.000 0.273 595 S C -0.091 174.563 174.600 0.090 0.000 1.311 595 S CA 0.471 58.725 58.200 0.091 0.000 1.034 595 S CB 1.312 64.555 63.200 0.073 0.000 0.939 595 S HN 0.839 nan 8.310 nan 0.000 0.513 596 G N 1.496 110.345 108.800 0.082 0.000 2.322 596 G HA2 0.297 4.257 3.960 -0.001 0.000 0.295 596 G HA3 0.297 4.257 3.960 -0.001 0.000 0.295 596 G C -1.886 173.052 174.900 0.064 0.000 1.369 596 G CA -1.027 44.115 45.100 0.071 0.000 0.821 596 G HN 0.536 nan 8.290 nan 0.000 0.536 597 K N 0.947 121.378 120.400 0.052 0.000 2.355 597 K HA 0.228 4.548 4.320 -0.001 0.000 0.270 597 K C -1.579 175.051 176.600 0.050 0.000 1.003 597 K CA -1.250 55.064 56.287 0.044 0.000 0.957 597 K CB 1.499 34.020 32.500 0.034 0.000 0.939 597 K HN 0.047 nan 8.250 nan 0.000 0.482 598 P HA -0.302 nan 4.420 nan 0.000 0.217 598 P C 0.972 178.300 177.300 0.047 0.000 1.162 598 P CA 1.834 64.958 63.100 0.039 0.000 0.901 598 P CB 0.100 31.810 31.700 0.018 0.000 0.793 599 A N -0.611 122.230 122.820 0.036 0.000 1.972 599 A HA -0.237 4.082 4.320 -0.001 0.000 0.219 599 A C 2.121 179.731 177.584 0.043 0.000 1.169 599 A CA 1.718 53.776 52.037 0.036 0.000 0.635 599 A CB -1.133 17.882 19.000 0.025 0.000 0.810 599 A HN 0.230 nan 8.150 nan 0.000 0.446 600 E N -0.333 119.894 120.200 0.045 0.000 2.107 600 E HA -0.064 4.285 4.350 -0.001 0.000 0.191 600 E C 1.865 178.502 176.600 0.061 0.000 0.982 600 E CA 0.900 57.325 56.400 0.041 0.000 0.809 600 E CB -0.183 29.539 29.700 0.037 0.000 0.756 600 E HN 0.645 nan 8.360 nan 0.000 0.459 601 L N 0.531 121.820 121.223 0.109 0.000 2.131 601 L HA -0.114 4.226 4.340 -0.001 0.000 0.206 601 L C 2.381 179.406 176.870 0.258 0.000 1.087 601 L CA 0.578 55.551 54.840 0.221 0.000 0.767 601 L CB -0.347 41.859 42.059 0.244 0.000 0.917 601 L HN 0.160 nan 8.230 nan 0.000 0.441 602 L N 0.185 121.503 121.223 0.158 0.000 2.042 602 L HA -0.267 4.073 4.340 -0.001 0.000 0.210 602 L C 2.742 179.679 176.870 0.111 0.000 1.076 602 L CA 1.565 56.486 54.840 0.136 0.000 0.749 602 L CB -0.527 41.584 42.059 0.085 0.000 0.893 602 L HN 0.281 nan 8.230 nan 0.000 0.432 603 K N 0.339 120.779 120.400 0.066 0.000 2.025 603 K HA -0.233 4.087 4.320 -0.001 0.000 0.207 603 K C 2.282 178.872 176.600 -0.016 0.000 1.049 603 K CA 1.585 57.889 56.287 0.027 0.000 0.933 603 K CB -0.121 32.386 32.500 0.011 0.000 0.714 603 K HN 0.137 nan 8.250 nan 0.000 0.438 604 M N -0.183 119.372 119.600 -0.075 0.000 2.106 604 M HA -0.167 4.313 4.480 -0.001 0.000 0.259 604 M C 0.750 176.794 176.300 -0.428 0.000 1.068 604 M CA 1.774 56.904 55.300 -0.284 0.000 1.100 604 M CB 0.017 32.369 32.600 -0.413 0.000 1.351 604 M HN 0.099 nan 8.290 nan 0.000 0.404 605 F N 0.449 120.435 119.950 0.060 0.000 2.732 605 F HA 0.355 4.881 4.527 -0.001 0.000 0.303 605 F C 1.452 177.302 175.800 0.084 0.000 1.110 605 F CA 0.471 58.519 58.000 0.080 0.000 1.355 605 F CB -0.265 38.781 39.000 0.077 0.000 1.081 605 F HN 0.401 nan 8.300 nan 0.000 0.565 606 G N 1.930 110.812 108.800 0.136 0.000 2.272 606 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.280 606 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.280 606 G C 0.501 175.473 174.900 0.120 0.000 1.067 606 G CA 0.600 45.767 45.100 0.113 0.000 0.902 606 G HN 0.667 nan 8.290 nan 0.000 0.500 607 I N -2.861 117.777 120.570 0.113 0.000 3.817 607 I HA 0.361 4.530 4.170 -0.001 0.000 0.322 607 I C 0.203 176.360 176.117 0.067 0.000 1.512 607 I CA -0.364 60.988 61.300 0.087 0.000 1.066 607 I CB 0.352 38.403 38.000 0.086 0.000 1.336 607 I HN 0.076 nan 8.210 nan 0.000 0.539 608 D N 1.452 121.889 120.400 0.062 0.000 2.487 608 D HA 0.194 4.834 4.640 -0.001 0.000 0.262 608 D C 1.543 177.866 176.300 0.037 0.000 1.130 608 D CA -0.631 53.398 54.000 0.049 0.000 1.038 608 D CB 0.758 41.586 40.800 0.046 0.000 1.142 608 D HN 0.250 nan 8.370 nan 0.000 0.575 609 R N 0.243 120.761 120.500 0.030 0.000 2.113 609 R HA -0.228 4.112 4.340 -0.001 0.000 0.244 609 R C 0.720 177.032 176.300 0.021 0.000 1.142 609 R CA 1.800 57.914 56.100 0.023 0.000 0.953 609 R CB -0.916 29.396 30.300 0.019 0.000 0.860 609 R HN 0.393 nan 8.270 nan 0.000 0.438 610 D N 1.141 121.554 120.400 0.022 0.000 2.178 610 D HA -0.052 4.587 4.640 -0.001 0.000 0.202 610 D C 2.013 178.327 176.300 0.023 0.000 0.974 610 D CA 1.559 55.571 54.000 0.019 0.000 0.841 610 D CB -0.157 40.652 40.800 0.016 0.000 0.953 610 D HN 0.488 nan 8.370 nan 0.000 0.478 611 A N 0.805 123.643 122.820 0.031 0.000 1.929 611 A HA -0.069 4.251 4.320 -0.001 0.000 0.216 611 A C 2.339 179.946 177.584 0.037 0.000 1.176 611 A CA 0.585 52.645 52.037 0.038 0.000 0.628 611 A CB -0.532 18.500 19.000 0.053 0.000 0.816 611 A HN 0.128 nan 8.150 nan 0.000 0.444 612 I N -0.182 120.408 120.570 0.033 0.000 2.163 612 I HA -0.257 3.913 4.170 -0.001 0.000 0.240 612 I C 3.010 179.139 176.117 0.020 0.000 1.081 612 I CA 1.057 62.373 61.300 0.028 0.000 1.353 612 I CB -0.423 37.590 38.000 0.021 0.000 1.054 612 I HN 0.333 nan 8.210 nan 0.000 0.407 613 A N 0.178 123.008 122.820 0.016 0.000 1.892 613 A HA -0.328 3.991 4.320 -0.001 0.000 0.218 613 A C 2.251 179.843 177.584 0.013 0.000 1.188 613 A CA 2.283 54.327 52.037 0.012 0.000 0.631 613 A CB -0.728 18.278 19.000 0.010 0.000 0.822 613 A HN 0.431 nan 8.150 nan 0.000 0.447 614 Q N -0.405 119.405 119.800 0.017 0.000 2.079 614 Q HA 0.027 4.367 4.340 -0.001 0.000 0.200 614 Q C 2.085 178.096 176.000 0.018 0.000 0.974 614 Q CA 2.024 57.837 55.803 0.017 0.000 0.840 614 Q CB -0.662 28.087 28.738 0.018 0.000 0.898 614 Q HN 0.564 nan 8.270 nan 0.000 0.430 615 A N -0.553 122.282 122.820 0.024 0.000 1.908 615 A HA -0.155 4.164 4.320 -0.001 0.000 0.218 615 A C 2.288 179.882 177.584 0.016 0.000 1.181 615 A CA 1.728 53.780 52.037 0.025 0.000 0.627 615 A CB -0.981 18.040 19.000 0.035 0.000 0.818 615 A HN 0.265 nan 8.150 nan 0.000 0.445 616 V N 0.045 119.967 119.914 0.013 0.000 2.287 616 V HA -0.314 3.806 4.120 -0.001 0.000 0.248 616 V C 2.663 178.760 176.094 0.006 0.000 1.053 616 V CA 2.390 64.694 62.300 0.007 0.000 1.027 616 V CB -0.821 31.005 31.823 0.005 0.000 0.646 616 V HN 0.542 nan 8.190 nan 0.000 0.447 617 R N 0.023 120.528 120.500 0.007 0.000 2.105 617 R HA -0.118 4.221 4.340 -0.001 0.000 0.239 617 R C 2.349 178.652 176.300 0.005 0.000 1.135 617 R CA 1.441 57.545 56.100 0.005 0.000 0.967 617 R CB -0.762 29.542 30.300 0.006 0.000 0.861 617 R HN 0.596 nan 8.270 nan 0.000 0.442 618 G N 0.285 109.090 108.800 0.007 0.000 2.598 618 G HA2 -0.122 3.838 3.960 -0.001 0.000 0.215 618 G HA3 -0.122 3.838 3.960 -0.001 0.000 0.215 618 G C 1.184 176.086 174.900 0.004 0.000 1.131 618 G CA 0.173 45.276 45.100 0.006 0.000 0.785 618 G HN 0.168 nan 8.290 nan 0.000 0.539 619 L N 0.256 121.480 121.223 0.002 0.000 2.607 619 L HA 0.403 4.743 4.340 -0.001 0.000 0.228 619 L C 1.444 178.313 176.870 -0.001 0.000 1.123 619 L CA 0.268 55.108 54.840 -0.001 0.000 0.890 619 L CB -0.808 41.249 42.059 -0.003 0.000 1.103 619 L HN 0.316 nan 8.230 nan 0.000 0.468 620 I N 0.000 120.570 120.570 -0.000 0.000 2.984 620 I HA 0.000 4.170 4.170 -0.001 0.000 0.288 620 I CA 0.000 61.300 61.300 -0.000 0.000 1.566 620 I CB 0.000 37.999 38.000 -0.001 0.000 1.214 620 I HN 0.000 nan 8.210 nan 0.000 0.494