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_A 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 0.000 174.600 174.600 0.000 0.000 1.055 8 S CA 0.000 58.208 58.200 0.013 0.000 1.107 8 S CB 0.000 63.208 63.200 0.014 0.000 0.593 9 M N 1.996 121.594 119.600 -0.003 0.000 2.447 9 M HA 0.185 4.665 4.480 0.001 0.000 0.264 9 M C 2.784 179.075 176.300 -0.014 0.000 1.095 9 M CA 1.623 56.917 55.300 -0.010 0.000 1.125 9 M CB -0.986 31.608 32.600 -0.009 0.000 1.389 9 M HN 0.803 nan 8.290 nan 0.000 0.459 10 Q N 0.758 120.551 119.800 -0.011 0.000 2.083 10 Q HA -0.162 4.179 4.340 0.001 0.000 0.198 10 Q C 1.969 177.960 176.000 -0.015 0.000 0.969 10 Q CA 1.917 57.711 55.803 -0.015 0.000 0.838 10 Q CB -0.558 28.173 28.738 -0.012 0.000 0.900 10 Q HN 0.353 nan 8.270 nan 0.000 0.436 11 K N 0.289 120.686 120.400 -0.004 0.000 2.097 11 K HA 0.078 4.399 4.320 0.001 0.000 0.205 11 K C 1.898 178.489 176.600 -0.016 0.000 1.050 11 K CA 1.207 57.496 56.287 0.004 0.000 0.938 11 K CB -0.571 31.949 32.500 0.034 0.000 0.718 11 K HN 0.495 nan 8.250 nan 0.000 0.442 12 L N 0.330 121.537 121.223 -0.027 0.000 2.017 12 L HA -0.239 4.101 4.340 0.001 0.000 0.208 12 L C 2.412 179.260 176.870 -0.036 0.000 1.073 12 L CA 1.799 56.614 54.840 -0.042 0.000 0.745 12 L CB -0.348 41.690 42.059 -0.036 0.000 0.894 12 L HN 0.307 nan 8.230 nan 0.000 0.432 13 Q N -0.059 119.721 119.800 -0.033 0.000 2.119 13 Q HA -0.160 4.180 4.340 0.001 0.000 0.201 13 Q C 2.055 178.026 176.000 -0.049 0.000 0.972 13 Q CA 2.022 57.801 55.803 -0.039 0.000 0.847 13 Q CB -0.317 28.397 28.738 -0.039 0.000 0.903 13 Q HN 0.587 nan 8.270 nan 0.000 0.433 14 A N 0.168 122.960 122.820 -0.048 0.000 1.908 14 A HA -0.168 4.152 4.320 0.001 0.000 0.218 14 A C 2.109 179.651 177.584 -0.071 0.000 1.181 14 A CA 1.496 53.494 52.037 -0.064 0.000 0.627 14 A CB -0.837 18.130 19.000 -0.056 0.000 0.818 14 A HN 0.459 nan 8.150 nan 0.000 0.445 15 L N -0.718 120.480 121.223 -0.043 0.000 2.012 15 L HA -0.250 4.090 4.340 0.001 0.000 0.210 15 L C 2.640 179.491 176.870 -0.032 0.000 1.073 15 L CA 1.972 56.797 54.840 -0.025 0.000 0.748 15 L CB -0.439 41.614 42.059 -0.011 0.000 0.891 15 L HN 0.365 nan 8.230 nan 0.000 0.431 16 K N -0.252 120.127 120.400 -0.034 0.000 2.026 16 K HA -0.185 4.136 4.320 0.001 0.000 0.208 16 K C 1.765 178.334 176.600 -0.052 0.000 1.048 16 K CA 1.637 57.905 56.287 -0.031 0.000 0.929 16 K CB -0.250 32.231 32.500 -0.032 0.000 0.713 16 K HN 0.288 nan 8.250 nan 0.000 0.439 17 D N 0.183 120.539 120.400 -0.072 0.000 2.117 17 D HA -0.118 4.523 4.640 0.001 0.000 0.197 17 D C 1.904 178.141 176.300 -0.105 0.000 0.987 17 D CA 1.358 55.301 54.000 -0.096 0.000 0.829 17 D CB -0.507 40.227 40.800 -0.110 0.000 0.961 17 D HN 0.161 nan 8.370 nan 0.000 0.460 18 T N 0.940 115.420 114.554 -0.123 0.000 2.684 18 T HA -0.150 4.201 4.350 0.001 0.000 0.267 18 T C 2.066 176.706 174.700 -0.099 0.000 1.036 18 T CA 1.684 63.683 62.100 -0.169 0.000 1.148 18 T CB -0.393 68.321 68.868 -0.258 0.000 0.863 18 T HN 0.216 nan 8.240 nan 0.000 0.436 19 A N 2.451 125.240 122.820 -0.051 0.000 1.908 19 A HA -0.191 4.130 4.320 0.001 0.000 0.218 19 A C 2.275 179.842 177.584 -0.028 0.000 1.181 19 A CA 1.620 53.646 52.037 -0.018 0.000 0.627 19 A CB -0.625 18.383 19.000 0.013 0.000 0.818 19 A HN 0.408 nan 8.150 nan 0.000 0.445 20 N N -0.561 118.114 118.700 -0.041 0.000 2.270 20 N HA -0.073 4.668 4.740 0.001 0.000 0.181 20 N C 1.826 177.321 175.510 -0.026 0.000 1.016 20 N CA 0.880 53.909 53.050 -0.036 0.000 0.870 20 N CB -0.358 38.100 38.487 -0.049 0.000 0.979 20 N HN 0.512 nan 8.380 nan 0.000 0.431 21 R N 0.633 121.108 120.500 -0.041 0.000 2.096 21 R HA 0.028 4.369 4.340 0.001 0.000 0.235 21 R C 2.200 178.485 176.300 -0.025 0.000 1.127 21 R CA 0.713 56.797 56.100 -0.027 0.000 0.968 21 R CB -0.275 29.989 30.300 -0.060 0.000 0.861 21 R HN 0.217 nan 8.270 nan 0.000 0.440 22 L N 0.080 121.279 121.223 -0.040 0.000 2.093 22 L HA -0.149 4.192 4.340 0.001 0.000 0.208 22 L C 2.574 179.430 176.870 -0.024 0.000 1.085 22 L CA 1.271 56.088 54.840 -0.038 0.000 0.755 22 L CB -0.412 41.619 42.059 -0.046 0.000 0.904 22 L HN 0.168 nan 8.230 nan 0.000 0.435 23 R N 0.268 120.758 120.500 -0.017 0.000 2.083 23 R HA -0.158 4.182 4.340 0.001 0.000 0.237 23 R C 2.289 178.586 176.300 -0.006 0.000 1.137 23 R CA 1.488 57.580 56.100 -0.013 0.000 0.951 23 R CB -0.497 29.792 30.300 -0.018 0.000 0.851 23 R HN 0.320 nan 8.270 nan 0.000 0.434 24 I N 0.251 120.823 120.570 0.004 0.000 2.163 24 I HA -0.323 3.848 4.170 0.001 0.000 0.243 24 I C 2.734 178.858 176.117 0.011 0.000 1.085 24 I CA 1.421 62.731 61.300 0.015 0.000 1.347 24 I CB -0.361 37.666 38.000 0.045 0.000 1.044 24 I HN 0.199 nan 8.210 nan 0.000 0.408 25 S N 0.092 115.798 115.700 0.011 0.000 2.368 25 S HA -0.177 4.293 4.470 0.001 0.000 0.225 25 S C 2.213 176.826 174.600 0.021 0.000 1.030 25 S CA 1.954 60.165 58.200 0.017 0.000 0.999 25 S CB -0.180 63.030 63.200 0.017 0.000 0.844 25 S HN 0.412 nan 8.310 nan 0.000 0.459 26 S N 1.416 117.121 115.700 0.009 0.000 2.370 26 S HA -0.044 4.426 4.470 0.001 0.000 0.226 26 S C 1.731 176.342 174.600 0.018 0.000 1.033 26 S CA 1.616 59.821 58.200 0.009 0.000 1.011 26 S CB -0.491 62.706 63.200 -0.006 0.000 0.852 26 S HN 0.554 nan 8.310 nan 0.000 0.457 27 I N 1.552 122.129 120.570 0.011 0.000 2.163 27 I HA -0.244 3.927 4.170 0.001 0.000 0.240 27 I C 2.733 178.861 176.117 0.018 0.000 1.081 27 I CA 1.254 62.562 61.300 0.012 0.000 1.353 27 I CB -0.490 37.510 38.000 -0.000 0.000 1.054 27 I HN 0.300 nan 8.210 nan 0.000 0.407 28 Q N 0.708 120.517 119.800 0.015 0.000 2.077 28 Q HA -0.255 4.085 4.340 0.001 0.000 0.206 28 Q C 2.449 178.466 176.000 0.028 0.000 0.989 28 Q CA 2.083 57.895 55.803 0.016 0.000 0.853 28 Q CB -0.412 28.333 28.738 0.012 0.000 0.907 28 Q HN 0.609 nan 8.270 nan 0.000 0.418 29 A N 0.875 123.720 122.820 0.041 0.000 1.877 29 A HA -0.204 4.117 4.320 0.001 0.000 0.216 29 A C 2.348 179.964 177.584 0.055 0.000 1.186 29 A CA 2.059 54.131 52.037 0.059 0.000 0.620 29 A CB -1.104 17.950 19.000 0.090 0.000 0.822 29 A HN 0.563 nan 8.150 nan 0.000 0.443 30 T N -3.585 110.998 114.554 0.047 0.000 2.904 30 T HA -0.090 4.261 4.350 0.001 0.000 0.267 30 T C 1.783 176.503 174.700 0.033 0.000 1.059 30 T CA 1.868 63.992 62.100 0.040 0.000 1.137 30 T CB -0.861 68.028 68.868 0.034 0.000 0.879 30 T HN 0.297 nan 8.240 nan 0.000 0.467 31 T N 2.018 116.591 114.554 0.032 0.000 2.821 31 T HA 0.136 4.487 4.350 0.001 0.000 0.267 31 T C 2.442 177.157 174.700 0.025 0.000 1.046 31 T CA 1.185 63.303 62.100 0.030 0.000 1.139 31 T CB -0.691 68.193 68.868 0.027 0.000 0.871 31 T HN 0.595 nan 8.240 nan 0.000 0.454 32 A N 1.409 124.244 122.820 0.026 0.000 1.873 32 A HA 0.245 4.565 4.320 0.001 0.000 0.215 32 A C 2.638 180.237 177.584 0.026 0.000 1.186 32 A CA 1.643 53.694 52.037 0.024 0.000 0.616 32 A CB -1.079 17.936 19.000 0.025 0.000 0.823 32 A HN 0.484 nan 8.150 nan 0.000 0.442 33 A N -1.624 121.216 122.820 0.034 0.000 1.972 33 A HA 0.271 4.591 4.320 0.001 0.000 0.219 33 A C 2.170 179.769 177.584 0.024 0.000 1.169 33 A CA 1.833 53.891 52.037 0.035 0.000 0.635 33 A CB -1.151 17.878 19.000 0.048 0.000 0.810 33 A HN 2.004 nan 8.150 nan 0.000 0.446 34 G N -1.550 107.261 108.800 0.020 0.000 2.148 34 G HA2 -0.095 3.865 3.960 0.001 0.000 0.254 34 G HA3 -0.095 3.865 3.960 0.001 0.000 0.254 34 G C 0.307 175.207 174.900 0.000 0.000 0.981 34 G CA 1.075 46.181 45.100 0.011 0.000 0.670 34 G HN 2.125 nan 8.290 nan 0.000 0.528 35 S N -2.154 113.546 115.700 -0.000 0.000 2.615 35 S HA 0.995 5.465 4.470 0.001 0.000 0.268 35 S C 0.205 174.786 174.600 -0.031 0.000 1.146 35 S CA 0.593 58.777 58.200 -0.028 0.000 0.818 35 S CB 1.867 65.060 63.200 -0.011 0.000 1.111 35 S HN 2.545 nan 8.310 nan 0.000 0.465 36 G N 0.500 109.230 108.800 -0.116 0.000 2.331 36 G HA2 0.297 4.258 3.960 0.001 0.000 0.479 36 G HA3 0.297 4.258 3.960 0.001 0.000 0.479 36 G C -1.587 173.145 174.900 -0.279 0.000 1.262 36 G CA -0.459 44.601 45.100 -0.067 0.000 1.029 36 G HN 1.353 nan 8.290 nan 0.000 0.487 37 H N 1.268 120.319 119.070 -0.032 0.000 2.379 37 H HA 0.411 4.967 4.556 0.000 0.000 0.229 37 H C -1.584 173.734 175.328 -0.017 0.000 1.423 37 H CA -0.760 55.259 56.048 -0.048 0.000 1.375 37 H CB 1.375 31.114 29.762 -0.038 0.000 1.592 37 H HN 0.320 nan 8.280 nan 0.000 0.507 38 P HA -0.205 nan 4.420 nan 0.000 0.216 38 P C 1.636 178.969 177.300 0.055 0.000 1.150 38 P CA 1.627 64.758 63.100 0.053 0.000 0.837 38 P CB 0.260 31.984 31.700 0.041 0.000 0.786 39 T N -2.952 111.651 114.554 0.082 0.000 2.867 39 T HA -0.045 4.306 4.350 0.001 0.000 0.268 39 T C 1.982 176.750 174.700 0.114 0.000 1.057 39 T CA 1.443 63.596 62.100 0.087 0.000 1.136 39 T CB -1.203 67.740 68.868 0.126 0.000 0.874 39 T HN 0.023 nan 8.240 nan 0.000 0.466 40 S N 0.690 116.469 115.700 0.132 0.000 2.406 40 S HA -0.025 4.445 4.470 0.001 0.000 0.228 40 S C 2.341 176.965 174.600 0.040 0.000 1.020 40 S CA 0.857 59.132 58.200 0.125 0.000 0.965 40 S CB -0.711 62.598 63.200 0.181 0.000 0.798 40 S HN 0.691 nan 8.310 nan 0.000 0.488 41 C N 0.854 120.168 119.300 0.023 0.000 2.466 41 C HA -0.016 4.445 4.460 0.001 0.000 0.278 41 C C 2.874 177.878 174.990 0.023 0.000 1.288 41 C CA -0.206 58.808 59.018 -0.006 0.000 1.722 41 C CB -1.479 26.250 27.740 -0.019 0.000 2.017 41 C HN 0.632 nan 8.230 nan 0.000 0.488 42 C N 1.904 121.226 119.300 0.037 0.000 2.419 42 C HA -0.079 4.381 4.460 0.001 0.000 0.281 42 C C 3.023 178.073 174.990 0.101 0.000 1.336 42 C CA 1.724 60.766 59.018 0.040 0.000 1.770 42 C CB -1.504 26.242 27.740 0.010 0.000 1.929 42 C HN 0.826 nan 8.230 nan 0.000 0.509 43 S N 0.990 116.774 115.700 0.140 0.000 2.447 43 S HA 0.048 4.518 4.470 0.001 0.000 0.233 43 S C 1.533 176.258 174.600 0.209 0.000 1.006 43 S CA 1.166 59.510 58.200 0.240 0.000 0.957 43 S CB -0.261 63.047 63.200 0.179 0.000 0.773 43 S HN 0.624 nan 8.310 nan 0.000 0.507 44 A N 0.354 123.246 122.820 0.119 0.000 2.387 44 A HA 0.820 5.141 4.320 0.001 0.000 0.234 44 A C 2.008 179.640 177.584 0.080 0.000 1.253 44 A CA 0.430 52.517 52.037 0.083 0.000 0.894 44 A CB -0.571 18.461 19.000 0.053 0.000 0.963 44 A HN 0.602 nan 8.150 nan 0.000 0.508 45 A N 0.706 123.582 122.820 0.094 0.000 1.877 45 A HA -0.150 4.171 4.320 0.001 0.000 0.216 45 A C 1.826 179.452 177.584 0.071 0.000 1.186 45 A CA 1.974 54.046 52.037 0.057 0.000 0.620 45 A CB -0.410 18.614 19.000 0.041 0.000 0.822 45 A HN 0.454 nan 8.150 nan 0.000 0.443 46 E N -0.085 120.185 120.200 0.116 0.000 2.077 46 E HA -0.120 4.230 4.350 0.001 0.000 0.193 46 E C 1.776 178.437 176.600 0.102 0.000 0.989 46 E CA 1.148 57.611 56.400 0.105 0.000 0.800 46 E CB -0.379 29.400 29.700 0.132 0.000 0.746 46 E HN 0.682 nan 8.360 nan 0.000 0.452 47 I N 0.200 120.832 120.570 0.103 0.000 2.118 47 I HA -0.322 3.849 4.170 0.001 0.000 0.241 47 I C 2.123 178.298 176.117 0.096 0.000 1.070 47 I CA 1.015 62.395 61.300 0.133 0.000 1.327 47 I CB -0.218 37.856 38.000 0.124 0.000 1.034 47 I HN 0.196 nan 8.210 nan 0.000 0.405 48 M N -0.064 119.567 119.600 0.052 0.000 2.213 48 M HA -0.139 4.342 4.480 0.001 0.000 0.263 48 M C 2.525 178.859 176.300 0.057 0.000 1.062 48 M CA 1.782 57.078 55.300 -0.006 0.000 1.105 48 M CB -1.353 31.192 32.600 -0.093 0.000 1.385 48 M HN 0.339 nan 8.290 nan 0.000 0.417 49 A N -0.186 122.693 122.820 0.098 0.000 1.898 49 A HA -0.049 4.271 4.320 0.001 0.000 0.216 49 A C 2.413 180.111 177.584 0.191 0.000 1.181 49 A CA 1.506 53.663 52.037 0.201 0.000 0.620 49 A CB -0.815 18.250 19.000 0.109 0.000 0.819 49 A HN 0.285 nan 8.150 nan 0.000 0.442 50 V N 0.016 119.986 119.914 0.093 0.000 2.453 50 V HA -0.196 3.924 4.120 0.001 0.000 0.247 50 V C 2.531 178.536 176.094 -0.149 0.000 1.048 50 V CA 1.605 63.933 62.300 0.046 0.000 1.049 50 V CB -0.741 31.152 31.823 0.117 0.000 0.672 50 V HN 0.532 nan 8.190 nan 0.000 0.457 51 L N -1.175 119.887 121.223 -0.269 0.000 1.970 51 L HA -0.181 4.160 4.340 0.001 0.000 0.212 51 L C 2.329 178.827 176.870 -0.620 0.000 1.071 51 L CA 2.037 56.513 54.840 -0.606 0.000 0.751 51 L CB -0.490 41.236 42.059 -0.555 0.000 0.889 51 L HN 0.247 nan 8.230 nan 0.000 0.432 52 F N -1.961 117.617 119.950 -0.620 0.000 2.558 52 F HA -0.060 4.467 4.527 0.000 0.000 0.298 52 F C 1.114 176.274 175.800 -1.068 0.000 1.119 52 F CA 0.604 58.055 58.000 -0.914 0.000 1.451 52 F CB 0.256 38.515 39.000 -1.234 0.000 1.091 52 F HN -0.034 nan 8.300 nan 0.000 0.563 53 F N -2.747 117.212 119.950 0.014 0.000 2.791 53 F HA 0.240 4.767 4.527 0.000 0.000 0.316 53 F C 0.981 176.803 175.800 0.036 0.000 1.134 53 F CA -0.260 57.745 58.000 0.008 0.000 1.222 53 F CB -0.171 38.831 39.000 0.002 0.000 1.034 53 F HN -0.045 nan 8.300 nan 0.000 0.516 54 H N -2.151 116.879 119.070 -0.067 0.000 1.690 54 H HA 0.101 4.657 4.556 0.000 0.000 0.146 54 H C 1.699 176.927 175.328 -0.167 0.000 1.057 54 H CA 1.302 57.303 56.048 -0.078 0.000 1.041 54 H CB 0.335 30.073 29.762 -0.041 0.000 0.775 54 H HN -0.126 nan 8.280 nan 0.000 0.305 55 T N 1.299 115.667 114.554 -0.309 0.000 2.866 55 T HA 0.181 4.531 4.350 0.001 0.000 0.250 55 T C 0.871 175.315 174.700 -0.426 0.000 1.033 55 T CA 0.565 62.395 62.100 -0.449 0.000 1.145 55 T CB 0.010 68.406 68.868 -0.787 0.000 0.866 55 T HN 0.101 nan 8.240 nan 0.000 0.434 56 M N 1.787 121.076 119.600 -0.519 0.000 2.240 56 M HA 0.232 4.712 4.480 0.001 0.000 0.333 56 M C -0.003 176.240 176.300 -0.095 0.000 1.110 56 M CA 0.198 55.286 55.300 -0.354 0.000 1.173 56 M CB 0.503 32.768 32.600 -0.558 0.000 1.458 56 M HN -0.132 nan 8.290 nan 0.000 0.458 57 R N 3.113 123.633 120.500 0.034 0.000 2.393 57 R HA 0.545 4.885 4.340 0.001 0.000 0.315 57 R C -1.547 174.852 176.300 0.165 0.000 0.952 57 R CA -0.478 55.638 56.100 0.026 0.000 0.842 57 R CB 1.057 31.368 30.300 0.019 0.000 1.163 57 R HN 0.790 nan 8.270 nan 0.000 0.450 58 Y N -1.809 118.457 120.300 -0.057 0.000 2.677 58 Y HA 0.434 4.984 4.550 0.000 0.000 0.334 58 Y C -1.239 174.687 175.900 0.044 0.000 1.196 58 Y CA -1.312 56.792 58.100 0.006 0.000 1.059 58 Y CB 1.399 39.860 38.460 0.002 0.000 1.315 58 Y HN 0.173 nan 8.280 nan 0.000 0.455 59 K N 1.840 122.347 120.400 0.179 0.000 2.267 59 K HA 0.246 4.567 4.320 0.001 0.000 0.282 59 K C 0.616 177.396 176.600 0.300 0.000 1.078 59 K CA 0.205 56.572 56.287 0.133 0.000 0.903 59 K CB 1.394 33.987 32.500 0.156 0.000 1.111 59 K HN 0.871 nan 8.250 nan 0.000 0.475 60 S N 2.537 118.358 115.700 0.201 0.000 2.447 60 S HA -0.118 4.353 4.470 0.001 0.000 0.233 60 S C 1.149 176.075 174.600 0.544 0.000 1.006 60 S CA 0.712 59.175 58.200 0.439 0.000 0.957 60 S CB 0.151 63.495 63.200 0.239 0.000 0.773 60 S HN 0.517 nan 8.310 nan 0.000 0.507 61 Q N 0.572 120.605 119.800 0.389 0.000 2.282 61 Q HA 0.286 4.627 4.340 0.001 0.000 0.206 61 Q C -0.578 175.647 176.000 0.376 0.000 0.878 61 Q CA 0.297 56.364 55.803 0.440 0.000 0.944 61 Q CB 0.476 29.378 28.738 0.273 0.000 1.100 61 Q HN 0.571 nan 8.270 nan 0.000 0.509 62 D N -0.349 120.208 120.400 0.262 0.000 2.714 62 D HA 0.208 4.848 4.640 0.001 0.000 0.264 62 D C -2.154 174.190 176.300 0.074 0.000 1.231 62 D CA -1.752 52.339 54.000 0.151 0.000 0.802 62 D CB 1.171 42.052 40.800 0.136 0.000 1.319 62 D HN -0.166 nan 8.370 nan 0.000 0.528 63 P HA -0.077 nan 4.420 nan 0.000 0.216 63 P C 1.230 178.466 177.300 -0.106 0.000 1.150 63 P CA 0.708 63.690 63.100 -0.196 0.000 0.837 63 P CB 0.319 31.539 31.700 -0.799 0.000 0.786 64 R N -1.134 119.295 120.500 -0.118 0.000 2.313 64 R HA 0.067 4.408 4.340 0.001 0.000 0.199 64 R C 0.722 176.982 176.300 -0.066 0.000 0.958 64 R CA -0.040 56.005 56.100 -0.091 0.000 1.047 64 R CB -1.221 29.025 30.300 -0.090 0.000 0.955 64 R HN 0.314 nan 8.270 nan 0.000 0.481 65 N N 2.740 121.426 118.700 -0.024 0.000 2.359 65 N HA -0.060 4.681 4.740 0.001 0.000 0.261 65 N C -1.653 173.790 175.510 -0.113 0.000 1.267 65 N CA -0.738 52.297 53.050 -0.025 0.000 0.864 65 N CB 1.252 39.779 38.487 0.065 0.000 1.063 65 N HN -0.042 nan 8.380 nan 0.000 0.474 66 P HA -0.083 nan 4.420 nan 0.000 0.230 66 P C 0.371 177.443 177.300 -0.380 0.000 1.158 66 P CA 1.252 64.153 63.100 -0.332 0.000 0.769 66 P CB 0.078 31.570 31.700 -0.348 0.000 0.807 67 H N -2.013 117.054 119.070 -0.005 0.000 2.563 67 H HA 0.159 4.715 4.556 0.001 0.000 0.264 67 H C 0.545 175.907 175.328 0.057 0.000 0.957 67 H CA -0.077 56.013 56.048 0.070 0.000 1.173 67 H CB -0.361 29.451 29.762 0.084 0.000 1.420 67 H HN 0.148 nan 8.280 nan 0.000 0.551 68 N N 2.549 121.293 118.700 0.074 0.000 2.441 68 N HA -0.066 4.675 4.740 0.001 0.000 0.251 68 N C 0.017 175.560 175.510 0.055 0.000 1.242 68 N CA 0.202 53.315 53.050 0.105 0.000 0.898 68 N CB 0.461 39.016 38.487 0.114 0.000 1.100 68 N HN 0.125 nan 8.380 nan 0.000 0.443 69 D N 1.110 121.606 120.400 0.160 0.000 2.478 69 D HA 0.002 4.642 4.640 0.001 0.000 0.234 69 D C 0.409 176.764 176.300 0.092 0.000 1.154 69 D CA 0.521 54.628 54.000 0.178 0.000 0.874 69 D CB 0.556 41.490 40.800 0.223 0.000 1.198 69 D HN 0.185 nan 8.370 nan 0.000 0.455 70 R N 0.522 121.096 120.500 0.123 0.000 2.540 70 R HA 0.549 4.890 4.340 0.001 0.000 0.287 70 R C -0.778 175.656 176.300 0.223 0.000 0.980 70 R CA -0.702 55.462 56.100 0.107 0.000 0.966 70 R CB 0.718 31.054 30.300 0.062 0.000 1.106 70 R HN 0.339 nan 8.270 nan 0.000 0.480 71 F N 2.065 122.045 119.950 0.051 0.000 2.518 71 F HA 0.562 5.089 4.527 0.001 0.000 0.323 71 F C -1.212 174.666 175.800 0.129 0.000 1.129 71 F CA -1.002 57.050 58.000 0.087 0.000 0.920 71 F CB 1.426 40.439 39.000 0.022 0.000 1.160 71 F HN 0.166 nan 8.300 nan 0.000 0.440 72 V N 7.300 126.821 119.914 -0.654 0.000 2.384 72 V HA 0.321 4.441 4.120 0.001 0.000 0.287 72 V C -0.656 174.908 176.094 -0.884 0.000 1.020 72 V CA -0.779 61.192 62.300 -0.548 0.000 0.850 72 V CB 1.481 33.156 31.823 -0.246 0.000 0.987 72 V HN 0.666 nan 8.190 nan 0.000 0.436 73 L N 4.509 125.400 121.223 -0.553 0.000 2.358 73 L HA 0.354 4.694 4.340 0.001 0.000 0.274 73 L C 1.492 178.274 176.870 -0.146 0.000 1.136 73 L CA 0.826 55.491 54.840 -0.292 0.000 0.970 73 L CB 0.840 42.912 42.059 0.022 0.000 1.314 73 L HN 0.732 nan 8.230 nan 0.000 0.427 74 S N 3.109 118.719 115.700 -0.150 0.000 2.382 74 S HA -0.105 4.366 4.470 0.001 0.000 0.228 74 S C 1.022 175.602 174.600 -0.033 0.000 1.027 74 S CA 1.006 59.155 58.200 -0.085 0.000 0.991 74 S CB -0.089 63.056 63.200 -0.090 0.000 0.823 74 S HN 0.737 nan 8.310 nan 0.000 0.469 75 K N 1.192 121.564 120.400 -0.046 0.000 2.155 75 K HA 0.348 4.669 4.320 0.001 0.000 0.240 75 K C 1.133 177.629 176.600 -0.173 0.000 1.193 75 K CA 0.160 56.409 56.287 -0.063 0.000 1.104 75 K CB 0.065 32.497 32.500 -0.113 0.000 1.558 75 K HN 0.200 nan 8.250 nan 0.000 0.313 76 G N 2.269 111.083 108.800 0.023 0.000 2.470 76 G HA2 -0.287 3.673 3.960 0.001 0.000 0.220 76 G HA3 -0.287 3.673 3.960 0.001 0.000 0.220 76 G C 1.325 176.211 174.900 -0.023 0.000 1.121 76 G CA 0.463 45.605 45.100 0.070 0.000 0.766 76 G HN 0.863 nan 8.290 nan 0.000 0.553 77 H N 0.022 119.047 119.070 -0.075 0.000 2.545 77 H HA 0.229 4.785 4.556 0.001 0.000 0.282 77 H C 2.007 177.134 175.328 -0.335 0.000 1.020 77 H CA 0.767 56.525 56.048 -0.484 0.000 1.243 77 H CB -0.553 28.760 29.762 -0.748 0.000 1.377 77 H HN 0.275 nan 8.280 nan 0.000 0.581 78 A N 1.224 123.708 122.820 -0.560 0.000 2.268 78 A HA 0.450 4.770 4.320 0.001 0.000 0.221 78 A C 2.408 179.829 177.584 -0.272 0.000 1.287 78 A CA 0.513 52.360 52.037 -0.317 0.000 0.902 78 A CB -0.765 18.082 19.000 -0.254 0.000 0.877 78 A HN 0.577 nan 8.150 nan 0.000 0.487 79 A N 1.369 123.986 122.820 -0.339 0.000 1.958 79 A HA -0.110 4.210 4.320 0.001 0.000 0.221 79 A C 0.077 177.157 177.584 -0.840 0.000 1.178 79 A CA 1.969 53.668 52.037 -0.563 0.000 0.642 79 A CB -1.357 17.326 19.000 -0.528 0.000 0.816 79 A HN 0.467 nan 8.150 nan 0.000 0.453 80 P HA -0.124 nan 4.420 nan 0.000 0.218 80 P C 1.462 178.659 177.300 -0.171 0.000 1.148 80 P CA 0.894 63.854 63.100 -0.234 0.000 0.822 80 P CB -0.030 31.638 31.700 -0.053 0.000 0.784 81 I N -1.592 118.869 120.570 -0.182 0.000 2.761 81 I HA -0.125 4.045 4.170 0.001 0.000 0.261 81 I C 1.850 177.836 176.117 -0.218 0.000 1.198 81 I CA 0.510 61.721 61.300 -0.149 0.000 1.482 81 I CB -0.118 37.816 38.000 -0.110 0.000 1.100 81 I HN -0.155 nan 8.210 nan 0.000 0.445 82 L N 0.247 121.322 121.223 -0.247 0.000 2.027 82 L HA -0.220 4.120 4.340 0.001 0.000 0.206 82 L C 2.187 178.977 176.870 -0.133 0.000 1.074 82 L CA 2.041 56.749 54.840 -0.220 0.000 0.745 82 L CB -0.917 41.110 42.059 -0.054 0.000 0.898 82 L HN 0.183 nan 8.230 nan 0.000 0.433 83 Y N 0.335 120.587 120.300 -0.081 0.000 2.128 83 Y HA -0.174 4.376 4.550 0.001 0.000 0.284 83 Y C 2.704 178.562 175.900 -0.071 0.000 1.154 83 Y CA 0.787 58.848 58.100 -0.065 0.000 1.149 83 Y CB -1.826 36.673 38.460 0.064 0.000 0.976 83 Y HN 0.320 nan 8.280 nan 0.000 0.505 84 A N 0.305 123.159 122.820 0.056 0.000 1.940 84 A HA -0.162 4.158 4.320 0.001 0.000 0.219 84 A C 2.469 180.006 177.584 -0.079 0.000 1.176 84 A CA 2.439 54.475 52.037 -0.002 0.000 0.631 84 A CB -1.394 17.590 19.000 -0.027 0.000 0.814 84 A HN 0.386 nan 8.150 nan 0.000 0.446 85 V N -4.448 115.311 119.914 -0.259 0.000 2.515 85 V HA -0.182 3.938 4.120 0.001 0.000 0.250 85 V C 2.079 177.921 176.094 -0.421 0.000 1.058 85 V CA 1.573 63.615 62.300 -0.430 0.000 1.064 85 V CB -1.223 29.936 31.823 -1.106 0.000 0.675 85 V HN 0.647 nan 8.190 nan 0.000 0.461 86 W N 0.605 121.725 121.300 -0.299 0.000 2.584 86 W HA 0.365 5.026 4.660 0.001 0.000 0.264 86 W C 2.710 179.270 176.519 0.069 0.000 1.264 86 W CA 1.171 58.428 57.345 -0.148 0.000 1.306 86 W CB -0.257 28.928 29.460 -0.457 0.000 1.110 86 W HN 0.312 nan 8.180 nan 0.000 0.606 87 A N 0.329 123.271 122.820 0.202 0.000 1.873 87 A HA -0.230 4.090 4.320 0.001 0.000 0.215 87 A C 1.793 179.451 177.584 0.123 0.000 1.186 87 A CA 1.945 54.078 52.037 0.160 0.000 0.616 87 A CB -0.824 18.238 19.000 0.104 0.000 0.823 87 A HN 0.245 nan 8.150 nan 0.000 0.442 88 E N 0.236 120.483 120.200 0.078 0.000 2.160 88 E HA -0.085 4.266 4.350 0.001 0.000 0.195 88 E C 1.760 178.447 176.600 0.146 0.000 0.991 88 E CA 1.412 57.831 56.400 0.031 0.000 0.810 88 E CB -0.348 29.304 29.700 -0.081 0.000 0.742 88 E HN 0.499 nan 8.360 nan 0.000 0.466 89 A N -0.859 122.124 122.820 0.273 0.000 2.206 89 A HA 0.300 4.621 4.320 0.001 0.000 0.211 89 A C 1.855 179.609 177.584 0.283 0.000 1.158 89 A CA 1.013 53.238 52.037 0.313 0.000 0.761 89 A CB -0.534 18.577 19.000 0.185 0.000 0.801 89 A HN 0.506 nan 8.150 nan 0.000 0.473 90 G N -2.185 106.769 108.800 0.257 0.000 2.175 90 G HA2 -0.344 3.616 3.960 0.001 0.000 0.244 90 G HA3 -0.344 3.616 3.960 0.001 0.000 0.244 90 G C 0.623 175.692 174.900 0.280 0.000 0.982 90 G CA 0.572 45.802 45.100 0.218 0.000 0.641 90 G HN 0.673 nan 8.290 nan 0.000 0.527 91 F N 0.561 120.684 119.950 0.289 0.000 2.149 91 F HA 0.480 5.007 4.527 0.000 0.000 0.294 91 F C 1.384 177.320 175.800 0.226 0.000 1.095 91 F CA 0.902 59.084 58.000 0.304 0.000 1.276 91 F CB 0.063 39.358 39.000 0.493 0.000 1.023 91 F HN 0.128 nan 8.300 nan 0.000 0.480 92 L N 0.653 122.066 121.223 0.318 0.000 2.343 92 L HA 0.482 4.822 4.340 0.001 0.000 0.275 92 L C 0.169 177.094 176.870 0.091 0.000 1.056 92 L CA -1.056 53.883 54.840 0.166 0.000 0.804 92 L CB 1.203 43.425 42.059 0.272 0.000 1.203 92 L HN 0.013 nan 8.230 nan 0.000 0.440 93 A N 1.545 124.386 122.820 0.035 0.000 2.409 93 A HA 0.427 4.747 4.320 0.001 0.000 0.262 93 A C 0.982 178.592 177.584 0.044 0.000 1.113 93 A CA 0.332 52.386 52.037 0.027 0.000 0.790 93 A CB 0.708 19.709 19.000 0.002 0.000 1.046 93 A HN 0.951 nan 8.150 nan 0.000 0.496 94 E N 2.170 122.395 120.200 0.041 0.000 2.118 94 E HA -0.106 4.244 4.350 0.001 0.000 0.195 94 E C 2.143 178.763 176.600 0.034 0.000 0.992 94 E CA 2.313 58.737 56.400 0.041 0.000 0.804 94 E CB -0.932 28.787 29.700 0.030 0.000 0.741 94 E HN 1.430 nan 8.360 nan 0.000 0.458 95 A N 0.655 123.489 122.820 0.023 0.000 1.972 95 A HA -0.115 4.205 4.320 0.001 0.000 0.219 95 A C 2.239 179.835 177.584 0.020 0.000 1.169 95 A CA 2.102 54.149 52.037 0.017 0.000 0.635 95 A CB -0.301 18.704 19.000 0.009 0.000 0.810 95 A HN 0.496 nan 8.150 nan 0.000 0.446 96 E N 0.348 120.561 120.200 0.022 0.000 2.150 96 E HA -0.109 4.241 4.350 0.001 0.000 0.193 96 E C 1.722 178.341 176.600 0.031 0.000 0.985 96 E CA 0.876 57.287 56.400 0.018 0.000 0.814 96 E CB -0.525 29.182 29.700 0.012 0.000 0.752 96 E HN 0.628 nan 8.360 nan 0.000 0.466 97 L N 0.043 121.298 121.223 0.053 0.000 2.103 97 L HA -0.250 4.091 4.340 0.001 0.000 0.215 97 L C 2.293 179.209 176.870 0.075 0.000 1.080 97 L CA 1.206 56.097 54.840 0.084 0.000 0.764 97 L CB -0.594 41.519 42.059 0.090 0.000 0.890 97 L HN 0.252 nan 8.230 nan 0.000 0.435 98 L N -0.363 120.889 121.223 0.049 0.000 2.465 98 L HA -0.092 4.249 4.340 0.001 0.000 0.224 98 L C 1.433 178.326 176.870 0.038 0.000 1.145 98 L CA 0.353 55.218 54.840 0.041 0.000 0.834 98 L CB -0.444 41.630 42.059 0.026 0.000 0.944 98 L HN 0.361 nan 8.230 nan 0.000 0.451 99 N N 0.391 119.111 118.700 0.035 0.000 2.322 99 N HA 0.055 4.796 4.740 0.001 0.000 0.194 99 N C 0.442 175.975 175.510 0.038 0.000 1.126 99 N CA -0.154 52.912 53.050 0.027 0.000 0.845 99 N CB 0.140 38.635 38.487 0.012 0.000 0.976 99 N HN 0.109 nan 8.380 nan 0.000 0.475 100 L N 1.910 123.173 121.223 0.066 0.000 2.837 100 L HA -0.239 4.101 4.340 0.001 0.000 0.300 100 L C 0.768 177.692 176.870 0.090 0.000 1.211 100 L CA 1.018 55.924 54.840 0.109 0.000 0.890 100 L CB -0.067 42.084 42.059 0.153 0.000 1.200 100 L HN 0.365 nan 8.230 nan 0.000 0.492 101 R N 0.580 121.138 120.500 0.097 0.000 3.892 101 R HA -0.180 4.161 4.340 0.001 0.000 0.441 101 R C -0.155 176.179 176.300 0.057 0.000 1.052 101 R CA 1.329 57.480 56.100 0.086 0.000 1.190 101 R CB -1.301 29.052 30.300 0.088 0.000 1.808 101 R HN 0.668 nan 8.270 nan 0.000 0.538 102 K N 0.514 120.938 120.400 0.041 0.000 2.185 102 K HA 0.153 4.473 4.320 0.001 0.000 0.271 102 K C 1.203 177.816 176.600 0.021 0.000 1.013 102 K CA -0.197 56.106 56.287 0.028 0.000 0.943 102 K CB 0.684 33.196 32.500 0.019 0.000 0.998 102 K HN -0.053 nan 8.250 nan 0.000 0.468 103 I N 2.032 122.613 120.570 0.018 0.000 2.423 103 I HA -0.261 3.909 4.170 0.001 0.000 0.254 103 I C 1.523 177.643 176.117 0.005 0.000 1.151 103 I CA 1.702 63.009 61.300 0.013 0.000 1.421 103 I CB 0.069 38.076 38.000 0.011 0.000 1.079 103 I HN 0.622 nan 8.210 nan 0.000 0.431 104 S N -1.982 113.720 115.700 0.003 0.000 2.577 104 S HA 0.241 4.711 4.470 0.001 0.000 0.219 104 S C 0.792 175.387 174.600 -0.008 0.000 0.962 104 S CA -0.163 58.035 58.200 -0.002 0.000 0.921 104 S CB -0.245 62.954 63.200 -0.001 0.000 0.789 104 S HN 0.322 nan 8.310 nan 0.000 0.497 105 S N 0.208 115.903 115.700 -0.009 0.000 2.568 105 S HA 0.481 4.952 4.470 0.001 0.000 0.293 105 S C -0.813 173.767 174.600 -0.033 0.000 1.089 105 S CA -0.590 57.597 58.200 -0.022 0.000 0.945 105 S CB 1.489 64.678 63.200 -0.018 0.000 1.077 105 S HN 0.100 nan 8.310 nan 0.000 0.485 106 D N 2.226 122.590 120.400 -0.060 0.000 2.325 106 D HA 0.212 4.852 4.640 0.001 0.000 0.225 106 D C -0.051 176.164 176.300 -0.140 0.000 1.096 106 D CA 0.321 54.272 54.000 -0.082 0.000 0.844 106 D CB 0.084 40.828 40.800 -0.093 0.000 0.925 106 D HN 0.399 nan 8.370 nan 0.000 0.513 107 L N 1.739 122.861 121.223 -0.168 0.000 2.512 107 L HA 0.192 4.532 4.340 0.001 0.000 0.247 107 L C -0.036 176.822 176.870 -0.019 0.000 1.204 107 L CA -0.462 54.161 54.840 -0.362 0.000 1.153 107 L CB 0.064 41.883 42.059 -0.400 0.000 1.415 107 L HN -0.306 nan 8.230 nan 0.000 0.406 108 D N 0.453 120.906 120.400 0.088 0.000 2.398 108 D HA 0.120 4.760 4.640 0.001 0.000 0.247 108 D C 1.390 177.859 176.300 0.281 0.000 1.227 108 D CA 0.141 54.244 54.000 0.170 0.000 0.980 108 D CB 1.029 41.907 40.800 0.131 0.000 1.106 108 D HN 0.306 nan 8.370 nan 0.000 0.493 109 G N -1.041 107.886 108.800 0.212 0.000 2.448 109 G HA2 -0.134 3.826 3.960 0.001 0.000 0.219 109 G HA3 -0.134 3.826 3.960 0.001 0.000 0.219 109 G C 0.062 174.922 174.900 -0.067 0.000 1.127 109 G CA 1.193 46.376 45.100 0.138 0.000 0.766 109 G HN 0.437 nan 8.290 nan 0.000 0.552 110 H N -0.944 118.215 119.070 0.148 0.000 2.865 110 H HA 0.493 5.050 4.556 0.001 0.000 0.372 110 H C -2.542 172.880 175.328 0.157 0.000 1.173 110 H CA -1.910 54.203 56.048 0.109 0.000 1.147 110 H CB 1.721 31.525 29.762 0.069 0.000 1.805 110 H HN -0.103 nan 8.280 nan 0.000 0.553 111 P HA 0.183 nan 4.420 nan 0.000 0.275 111 P C -0.988 176.407 177.300 0.159 0.000 1.228 111 P CA -0.378 62.882 63.100 0.266 0.000 0.786 111 P CB 0.817 32.663 31.700 0.243 0.000 0.927 112 V N -0.647 119.327 119.914 0.100 0.000 3.049 112 V HA 0.519 4.639 4.120 0.001 0.000 0.309 112 V C -2.267 173.793 176.094 -0.056 0.000 1.148 112 V CA -2.152 60.161 62.300 0.021 0.000 0.990 112 V CB 2.106 33.942 31.823 0.022 0.000 1.039 112 V HN 0.311 nan 8.190 nan 0.000 0.430 113 P HA 0.000 nan 4.420 nan 0.000 0.245 113 P C 0.936 178.156 177.300 -0.133 0.000 1.212 113 P CA 0.530 63.565 63.100 -0.107 0.000 0.774 113 P CB 0.063 31.719 31.700 -0.073 0.000 0.999 114 K N -0.124 120.204 120.400 -0.119 0.000 2.280 114 K HA -0.099 4.221 4.320 0.001 0.000 0.202 114 K C 0.673 177.148 176.600 -0.208 0.000 1.047 114 K CA 0.568 56.780 56.287 -0.127 0.000 0.942 114 K CB -0.531 31.915 32.500 -0.090 0.000 0.739 114 K HN 0.231 nan 8.250 nan 0.000 0.457 115 Q N 0.638 120.245 119.800 -0.321 0.000 2.295 115 Q HA 0.245 4.586 4.340 0.001 0.000 0.259 115 Q C 0.762 176.367 176.000 -0.659 0.000 0.976 115 Q CA -0.183 55.236 55.803 -0.640 0.000 0.923 115 Q CB 1.589 29.757 28.738 -0.949 0.000 1.185 115 Q HN 0.311 nan 8.270 nan 0.000 0.410 116 A N 3.318 125.791 122.820 -0.578 0.000 1.978 116 A HA -0.187 4.133 4.320 0.001 0.000 0.220 116 A C 1.265 178.505 177.584 -0.574 0.000 1.170 116 A CA 1.353 53.130 52.037 -0.435 0.000 0.636 116 A CB -0.535 18.318 19.000 -0.246 0.000 0.810 116 A HN 0.830 nan 8.150 nan 0.000 0.448 117 F N -1.340 118.240 119.950 -0.616 0.000 2.797 117 F HA 0.339 4.867 4.527 0.001 0.000 0.302 117 F C 0.194 175.803 175.800 -0.319 0.000 1.130 117 F CA -0.028 57.486 58.000 -0.810 0.000 1.387 117 F CB -1.076 36.865 39.000 -1.765 0.000 1.107 117 F HN -0.131 nan 8.300 nan 0.000 0.577 118 T N 1.308 115.724 114.554 -0.230 0.000 2.792 118 T HA 0.192 4.543 4.350 0.001 0.000 0.280 118 T C 0.251 174.909 174.700 -0.071 0.000 0.990 118 T CA -0.505 61.573 62.100 -0.037 0.000 0.960 118 T CB 1.886 70.736 68.868 -0.030 0.000 0.939 118 T HN 0.094 nan 8.240 nan 0.000 0.439 119 D N 1.296 121.682 120.400 -0.023 0.000 2.262 119 D HA 0.078 4.719 4.640 0.001 0.000 0.212 119 D C 0.963 177.244 176.300 -0.032 0.000 0.964 119 D CA 0.987 54.964 54.000 -0.038 0.000 0.875 119 D CB 0.648 41.431 40.800 -0.027 0.000 0.996 119 D HN 0.477 nan 8.370 nan 0.000 0.497 120 V N -1.774 118.128 119.914 -0.019 0.000 2.841 120 V HA 0.790 4.911 4.120 0.001 0.000 0.310 120 V C -0.581 175.509 176.094 -0.006 0.000 1.090 120 V CA -1.356 60.932 62.300 -0.020 0.000 0.930 120 V CB 1.670 33.477 31.823 -0.027 0.000 1.014 120 V HN 0.031 nan 8.190 nan 0.000 0.425 121 A N 3.587 126.403 122.820 -0.007 0.000 2.440 121 A HA 0.734 5.054 4.320 0.001 0.000 0.251 121 A C 0.667 178.252 177.584 0.002 0.000 1.089 121 A CA 0.513 52.555 52.037 0.010 0.000 0.779 121 A CB -0.016 18.984 19.000 -0.001 0.000 1.022 121 A HN 1.705 nan 8.150 nan 0.000 0.492 122 T N -0.966 113.604 114.554 0.027 0.000 2.905 122 T HA 0.846 5.196 4.350 0.001 0.000 0.283 122 T C 0.759 175.475 174.700 0.026 0.000 1.031 122 T CA 0.080 62.190 62.100 0.016 0.000 1.002 122 T CB 1.744 70.622 68.868 0.016 0.000 1.200 122 T HN 2.081 nan 8.240 nan 0.000 0.560 123 G N 0.054 108.859 108.800 0.007 0.000 3.134 123 G HA2 -0.026 3.934 3.960 0.001 0.000 0.195 123 G HA3 -0.026 3.934 3.960 0.001 0.000 0.195 123 G C 0.218 175.032 174.900 -0.144 0.000 1.054 123 G CA 0.185 45.196 45.100 -0.149 0.000 0.828 123 G HN 1.170 nan 8.290 nan 0.000 0.462 124 S N 1.506 117.146 115.700 -0.101 0.000 2.430 124 S HA 0.700 5.171 4.470 0.001 0.000 0.289 124 S C 0.566 175.141 174.600 -0.042 0.000 1.143 124 S CA -0.590 57.560 58.200 -0.083 0.000 1.067 124 S CB 0.205 63.349 63.200 -0.094 0.000 0.964 124 S HN 0.426 nan 8.310 nan 0.000 0.485 125 L N 4.374 125.583 121.223 -0.023 0.000 2.452 125 L HA 0.446 4.786 4.340 0.001 0.000 0.267 125 L C 1.636 178.495 176.870 -0.019 0.000 1.188 125 L CA 0.566 55.407 54.840 0.001 0.000 0.821 125 L CB 0.408 42.478 42.059 0.018 0.000 1.102 125 L HN 1.030 nan 8.230 nan 0.000 0.470 126 G N 0.898 109.681 108.800 -0.028 0.000 2.176 126 G HA2 -0.232 3.729 3.960 0.001 0.000 0.232 126 G HA3 -0.232 3.729 3.960 0.001 0.000 0.232 126 G C 0.684 175.548 174.900 -0.060 0.000 0.986 126 G CA 0.246 45.317 45.100 -0.048 0.000 0.643 126 G HN 0.675 nan 8.290 nan 0.000 0.522 127 Q N -0.390 119.378 119.800 -0.054 0.000 2.392 127 Q HA 0.229 4.569 4.340 0.001 0.000 0.219 127 Q C 2.673 178.634 176.000 -0.064 0.000 0.895 127 Q CA 0.581 56.352 55.803 -0.055 0.000 0.929 127 Q CB 0.246 28.955 28.738 -0.048 0.000 1.077 127 Q HN 0.478 nan 8.270 nan 0.000 0.532 128 G N 1.781 110.540 108.800 -0.069 0.000 2.440 128 G HA2 -0.269 3.691 3.960 0.001 0.000 0.218 128 G HA3 -0.269 3.691 3.960 0.001 0.000 0.218 128 G C 1.380 176.232 174.900 -0.080 0.000 1.154 128 G CA 0.664 45.717 45.100 -0.079 0.000 0.767 128 G HN 0.232 nan 8.290 nan 0.000 0.552 129 L N 1.471 122.640 121.223 -0.089 0.000 2.141 129 L HA 0.210 4.550 4.340 0.001 0.000 0.209 129 L C 2.744 179.586 176.870 -0.046 0.000 1.094 129 L CA 1.947 56.746 54.840 -0.068 0.000 0.763 129 L CB -0.733 41.255 42.059 -0.118 0.000 0.908 129 L HN 0.162 nan 8.230 nan 0.000 0.437 130 G N -1.222 107.532 108.800 -0.076 0.000 2.402 130 G HA2 -0.194 3.766 3.960 0.001 0.000 0.216 130 G HA3 -0.194 3.766 3.960 0.001 0.000 0.216 130 G C 1.610 176.445 174.900 -0.109 0.000 1.162 130 G CA 0.637 45.672 45.100 -0.109 0.000 0.777 130 G HN 0.565 nan 8.290 nan 0.000 0.539 131 A N 1.317 124.093 122.820 -0.074 0.000 1.902 131 A HA 0.244 4.564 4.320 0.001 0.000 0.217 131 A C 2.817 180.384 177.584 -0.029 0.000 1.181 131 A CA 2.289 54.294 52.037 -0.054 0.000 0.623 131 A CB -0.843 18.130 19.000 -0.046 0.000 0.818 131 A HN 0.783 nan 8.150 nan 0.000 0.443 132 A N -1.038 121.769 122.820 -0.022 0.000 1.933 132 A HA -0.180 4.140 4.320 0.001 0.000 0.218 132 A C 2.282 179.899 177.584 0.054 0.000 1.175 132 A CA 1.685 53.730 52.037 0.014 0.000 0.628 132 A CB -1.299 17.706 19.000 0.008 0.000 0.814 132 A HN 0.607 nan 8.150 nan 0.000 0.444 133 C N -1.037 118.287 119.300 0.040 0.000 2.425 133 C HA -0.017 4.443 4.460 0.001 0.000 0.277 133 C C 2.985 178.030 174.990 0.093 0.000 1.280 133 C CA 0.600 59.669 59.018 0.086 0.000 1.744 133 C CB -1.629 26.088 27.740 -0.038 0.000 1.989 133 C HN 0.713 nan 8.230 nan 0.000 0.491 134 G N 0.279 109.072 108.800 -0.012 0.000 2.459 134 G HA2 -0.252 3.708 3.960 0.001 0.000 0.217 134 G HA3 -0.252 3.708 3.960 0.001 0.000 0.217 134 G C 1.579 176.570 174.900 0.152 0.000 1.183 134 G CA 0.987 46.111 45.100 0.041 0.000 0.776 134 G HN 0.492 nan 8.290 nan 0.000 0.552 135 M N 0.828 120.502 119.600 0.124 0.000 2.080 135 M HA -0.052 4.428 4.480 0.001 0.000 0.260 135 M C 3.027 179.459 176.300 0.221 0.000 1.068 135 M CA 1.614 57.017 55.300 0.173 0.000 1.109 135 M CB -0.256 32.419 32.600 0.125 0.000 1.342 135 M HN 0.320 nan 8.290 nan 0.000 0.405 136 A N -0.861 122.056 122.820 0.162 0.000 1.898 136 A HA -0.199 4.121 4.320 0.001 0.000 0.216 136 A C 2.010 179.622 177.584 0.047 0.000 1.181 136 A CA 1.274 53.363 52.037 0.086 0.000 0.620 136 A CB -1.072 17.965 19.000 0.063 0.000 0.819 136 A HN 0.582 nan 8.150 nan 0.000 0.442 137 Y N 1.102 121.431 120.300 0.049 0.000 2.181 137 Y HA -0.207 4.344 4.550 0.001 0.000 0.288 137 Y C 2.719 178.540 175.900 -0.133 0.000 1.146 137 Y CA 2.310 60.431 58.100 0.035 0.000 1.164 137 Y CB -0.373 38.176 38.460 0.148 0.000 0.982 137 Y HN 0.329 nan 8.280 nan 0.000 0.515 138 T N -0.318 114.371 114.554 0.225 0.000 2.684 138 T HA -0.190 4.161 4.350 0.001 0.000 0.267 138 T C 1.974 176.726 174.700 0.087 0.000 1.036 138 T CA 1.406 63.665 62.100 0.266 0.000 1.148 138 T CB -1.072 68.047 68.868 0.418 0.000 0.863 138 T HN 0.624 nan 8.240 nan 0.000 0.436 139 G N 1.291 110.086 108.800 -0.010 0.000 2.480 139 G HA2 -0.278 3.683 3.960 0.001 0.000 0.216 139 G HA3 -0.278 3.683 3.960 0.001 0.000 0.216 139 G C 1.530 176.158 174.900 -0.454 0.000 1.200 139 G CA 1.217 46.072 45.100 -0.408 0.000 0.782 139 G HN 0.450 nan 8.290 nan 0.000 0.554 140 K N -1.125 118.954 120.400 -0.535 0.000 2.062 140 K HA -0.011 4.309 4.320 0.001 0.000 0.205 140 K C 1.988 178.136 176.600 -0.753 0.000 1.051 140 K CA 1.066 56.903 56.287 -0.751 0.000 0.941 140 K CB -0.080 31.745 32.500 -1.124 0.000 0.719 140 K HN 0.455 nan 8.250 nan 0.000 0.440 141 Y N -2.087 117.951 120.300 -0.437 0.000 2.444 141 Y HA 0.166 4.717 4.550 0.001 0.000 0.252 141 Y C 1.187 176.960 175.900 -0.212 0.000 1.091 141 Y CA -0.235 57.590 58.100 -0.459 0.000 1.276 141 Y CB 0.439 38.365 38.460 -0.891 0.000 1.170 141 Y HN -0.035 nan 8.280 nan 0.000 0.517 142 F N -0.261 119.757 119.950 0.115 0.000 2.479 142 F HA 0.117 4.645 4.527 0.001 0.000 0.280 142 F C 1.775 177.623 175.800 0.081 0.000 0.982 142 F CA 0.229 58.306 58.000 0.128 0.000 1.276 142 F CB -0.787 38.314 39.000 0.168 0.000 1.137 142 F HN -0.178 nan 8.300 nan 0.000 0.660 143 D N 0.608 121.163 120.400 0.258 0.000 2.183 143 D HA -0.095 4.545 4.640 0.001 0.000 0.203 143 D C 0.610 176.953 176.300 0.071 0.000 0.969 143 D CA 0.868 54.968 54.000 0.167 0.000 0.842 143 D CB -0.272 40.657 40.800 0.215 0.000 0.957 143 D HN 0.195 nan 8.370 nan 0.000 0.484 144 K N -0.487 119.903 120.400 -0.017 0.000 3.077 144 K HA -0.178 4.143 4.320 0.001 0.000 0.264 144 K C -0.083 176.461 176.600 -0.093 0.000 1.008 144 K CA 0.354 56.593 56.287 -0.081 0.000 0.740 144 K CB -1.625 30.865 32.500 -0.017 0.000 1.273 144 K HN 0.205 nan 8.250 nan 0.000 0.477 145 A N 0.405 123.127 122.820 -0.164 0.000 2.261 145 A HA 0.572 4.892 4.320 0.001 0.000 0.323 145 A C 1.196 178.639 177.584 -0.235 0.000 1.107 145 A CA 0.004 51.969 52.037 -0.120 0.000 0.883 145 A CB 0.749 19.770 19.000 0.035 0.000 1.251 145 A HN 0.345 nan 8.150 nan 0.000 0.502 146 S N -1.271 114.375 115.700 -0.092 0.000 2.548 146 S HA 0.100 4.570 4.470 0.001 0.000 0.215 146 S C 0.381 174.953 174.600 -0.047 0.000 0.976 146 S CA 0.157 58.311 58.200 -0.078 0.000 0.908 146 S CB -0.896 62.300 63.200 -0.006 0.000 0.781 146 S HN 0.813 nan 8.310 nan 0.000 0.519 147 Y N 1.944 122.256 120.300 0.019 0.000 2.480 147 Y HA 0.606 5.156 4.550 0.000 0.000 0.338 147 Y C 0.379 176.269 175.900 -0.016 0.000 1.220 147 Y CA -1.398 56.719 58.100 0.028 0.000 1.430 147 Y CB 0.323 38.816 38.460 0.055 0.000 1.311 147 Y HN -0.067 nan 8.280 nan 0.000 0.575 148 R N 1.697 122.313 120.500 0.193 0.000 2.828 148 R HA 0.825 5.166 4.340 0.001 0.000 0.264 148 R C -1.486 174.817 176.300 0.004 0.000 1.022 148 R CA -1.300 54.795 56.100 -0.008 0.000 1.021 148 R CB 2.168 32.392 30.300 -0.127 0.000 1.163 148 R HN 0.620 nan 8.270 nan 0.000 0.494 149 V N 2.062 121.840 119.914 -0.227 0.000 2.531 149 V HA 0.412 4.533 4.120 0.001 0.000 0.301 149 V C -1.462 174.447 176.094 -0.307 0.000 1.034 149 V CA -0.786 61.450 62.300 -0.105 0.000 0.865 149 V CB 1.490 33.320 31.823 0.011 0.000 0.995 149 V HN 0.599 nan 8.190 nan 0.000 0.424 150 Y N 2.710 123.081 120.300 0.119 0.000 2.391 150 Y HA 0.665 5.215 4.550 0.001 0.000 0.341 150 Y C -0.013 175.943 175.900 0.094 0.000 0.965 150 Y CA -0.528 57.678 58.100 0.177 0.000 1.067 150 Y CB 2.049 40.647 38.460 0.230 0.000 1.199 150 Y HN 0.681 nan 8.280 nan 0.000 0.450 151 C N 5.713 125.125 119.300 0.188 0.000 2.431 151 C HA 0.741 5.202 4.460 0.001 0.000 0.321 151 C C -1.404 173.612 174.990 0.043 0.000 1.202 151 C CA -0.816 58.191 59.018 -0.018 0.000 1.398 151 C CB -0.085 27.638 27.740 -0.028 0.000 2.047 151 C HN 0.813 nan 8.230 nan 0.000 0.465 152 L N 7.134 128.338 121.223 -0.032 0.000 2.298 152 L HA 0.808 5.148 4.340 0.001 0.000 0.284 152 L C -1.096 175.766 176.870 -0.012 0.000 1.013 152 L CA 0.077 54.968 54.840 0.084 0.000 0.824 152 L CB 0.982 43.204 42.059 0.271 0.000 1.221 152 L HN 0.684 nan 8.230 nan 0.000 0.418 153 L N 4.070 125.275 121.223 -0.030 0.000 2.319 153 L HA 0.868 5.208 4.340 0.001 0.000 0.267 153 L C 0.777 177.621 176.870 -0.043 0.000 1.011 153 L CA -0.300 54.505 54.840 -0.059 0.000 0.818 153 L CB 1.846 43.834 42.059 -0.117 0.000 1.316 153 L HN 0.691 nan 8.230 nan 0.000 0.432 154 G N -0.731 108.061 108.800 -0.013 0.000 2.547 154 G HA2 0.319 4.279 3.960 0.001 0.000 0.291 154 G HA3 0.319 4.279 3.960 0.001 0.000 0.291 154 G C 0.115 175.002 174.900 -0.022 0.000 1.211 154 G CA -0.079 45.029 45.100 0.014 0.000 0.950 154 G HN 0.762 nan 8.290 nan 0.000 0.504 155 D N -0.975 119.415 120.400 -0.017 0.000 2.183 155 D HA -0.023 4.618 4.640 0.001 0.000 0.205 155 D C 2.235 178.582 176.300 0.079 0.000 0.962 155 D CA 1.093 55.084 54.000 -0.016 0.000 0.849 155 D CB -0.980 39.790 40.800 -0.050 0.000 0.978 155 D HN 0.488 nan 8.370 nan 0.000 0.488 156 G N 0.692 109.530 108.800 0.064 0.000 2.442 156 G HA2 -0.353 3.608 3.960 0.001 0.000 0.219 156 G HA3 -0.353 3.608 3.960 0.001 0.000 0.219 156 G C 1.490 176.423 174.900 0.054 0.000 1.141 156 G CA 0.902 46.034 45.100 0.053 0.000 0.763 156 G HN 0.489 nan 8.290 nan 0.000 0.554 157 E N 0.181 120.410 120.200 0.048 0.000 2.160 157 E HA -0.076 4.274 4.350 0.001 0.000 0.195 157 E C 2.249 178.872 176.600 0.038 0.000 0.991 157 E CA 0.428 56.848 56.400 0.033 0.000 0.810 157 E CB -0.251 29.463 29.700 0.024 0.000 0.742 157 E HN 0.484 nan 8.360 nan 0.000 0.466 158 L N 0.651 121.917 121.223 0.072 0.000 2.549 158 L HA -0.069 4.271 4.340 0.001 0.000 0.229 158 L C 2.085 179.145 176.870 0.316 0.000 1.158 158 L CA 0.326 55.261 54.840 0.158 0.000 0.842 158 L CB -0.074 42.132 42.059 0.245 0.000 0.952 158 L HN 0.075 nan 8.230 nan 0.000 0.452 159 S N -1.234 114.575 115.700 0.180 0.000 2.522 159 S HA -0.006 4.464 4.470 0.001 0.000 0.227 159 S C 0.756 175.434 174.600 0.129 0.000 0.986 159 S CA 0.380 58.660 58.200 0.135 0.000 0.929 159 S CB -0.129 63.109 63.200 0.063 0.000 0.769 159 S HN 0.316 nan 8.310 nan 0.000 0.529 160 E N 0.944 121.219 120.200 0.124 0.000 2.316 160 E HA 0.172 4.523 4.350 0.001 0.000 0.275 160 E C 1.238 177.936 176.600 0.164 0.000 1.029 160 E CA -0.081 56.374 56.400 0.092 0.000 0.871 160 E CB 1.145 30.866 29.700 0.035 0.000 1.022 160 E HN 0.301 nan 8.360 nan 0.000 0.418 161 G N 2.556 111.438 108.800 0.137 0.000 2.422 161 G HA2 -0.296 3.665 3.960 0.001 0.000 0.218 161 G HA3 -0.296 3.665 3.960 0.001 0.000 0.218 161 G C 1.522 176.512 174.900 0.150 0.000 1.146 161 G CA 1.041 46.247 45.100 0.177 0.000 0.769 161 G HN 0.550 nan 8.290 nan 0.000 0.547 162 S N 0.531 116.275 115.700 0.072 0.000 2.402 162 S HA -0.170 4.300 4.470 0.001 0.000 0.233 162 S C 2.236 176.813 174.600 -0.038 0.000 1.030 162 S CA 1.514 59.730 58.200 0.027 0.000 1.003 162 S CB -0.618 62.583 63.200 0.002 0.000 0.813 162 S HN 0.131 nan 8.310 nan 0.000 0.477 163 V N 0.156 120.003 119.914 -0.112 0.000 2.343 163 V HA -0.151 3.969 4.120 0.001 0.000 0.247 163 V C 2.279 178.035 176.094 -0.562 0.000 1.051 163 V CA 1.854 63.932 62.300 -0.370 0.000 1.036 163 V CB -1.111 30.400 31.823 -0.520 0.000 0.654 163 V HN 0.644 nan 8.190 nan 0.000 0.451 164 W N 0.260 121.458 121.300 -0.169 0.000 2.518 164 W HA 0.010 4.670 4.660 0.000 0.000 0.273 164 W C 2.410 178.903 176.519 -0.043 0.000 1.247 164 W CA 0.723 57.894 57.345 -0.291 0.000 1.288 164 W CB -0.294 28.914 29.460 -0.420 0.000 1.107 164 W HN 0.248 nan 8.180 nan 0.000 0.586 165 E N 0.503 120.812 120.200 0.181 0.000 2.051 165 E HA -0.219 4.132 4.350 0.001 0.000 0.192 165 E C 2.372 179.111 176.600 0.230 0.000 0.991 165 E CA 1.490 58.024 56.400 0.223 0.000 0.799 165 E CB -0.538 29.259 29.700 0.162 0.000 0.748 165 E HN 0.233 nan 8.360 nan 0.000 0.449 166 A N 1.343 124.221 122.820 0.097 0.000 1.902 166 A HA -0.198 4.123 4.320 0.001 0.000 0.217 166 A C 2.182 179.928 177.584 0.268 0.000 1.181 166 A CA 1.329 53.437 52.037 0.118 0.000 0.623 166 A CB -0.353 18.637 19.000 -0.017 0.000 0.818 166 A HN 0.116 nan 8.150 nan 0.000 0.443 167 M N -0.274 119.380 119.600 0.089 0.000 2.065 167 M HA -0.180 4.300 4.480 0.001 0.000 0.259 167 M C 2.537 179.246 176.300 0.682 0.000 1.069 167 M CA 1.851 57.298 55.300 0.244 0.000 1.110 167 M CB -1.599 30.805 32.600 -0.326 0.000 1.328 167 M HN 0.487 nan 8.290 nan 0.000 0.405 168 A N -0.479 122.707 122.820 0.610 0.000 1.933 168 A HA -0.191 4.130 4.320 0.001 0.000 0.218 168 A C 2.162 179.998 177.584 0.421 0.000 1.175 168 A CA 1.327 53.700 52.037 0.559 0.000 0.628 168 A CB -1.107 18.184 19.000 0.486 0.000 0.814 168 A HN 0.460 nan 8.150 nan 0.000 0.444 169 F N 0.950 121.088 119.950 0.314 0.000 2.102 169 F HA -0.117 4.410 4.527 0.000 0.000 0.298 169 F C 2.527 178.537 175.800 0.350 0.000 1.105 169 F CA 1.487 59.687 58.000 0.334 0.000 1.239 169 F CB -0.251 38.949 39.000 0.332 0.000 0.991 169 F HN 0.259 nan 8.300 nan 0.000 0.474 170 A N -0.155 123.055 122.820 0.650 0.000 1.940 170 A HA -0.223 4.098 4.320 0.001 0.000 0.219 170 A C 2.298 179.942 177.584 0.099 0.000 1.176 170 A CA 2.273 54.547 52.037 0.395 0.000 0.631 170 A CB -1.301 17.884 19.000 0.308 0.000 0.814 170 A HN 0.548 nan 8.150 nan 0.000 0.446 171 S N -0.384 115.382 115.700 0.109 0.000 2.406 171 S HA 0.009 4.479 4.470 0.001 0.000 0.224 171 S C 1.847 176.408 174.600 -0.066 0.000 1.030 171 S CA 0.946 59.133 58.200 -0.021 0.000 0.958 171 S CB -0.689 62.554 63.200 0.072 0.000 0.811 171 S HN 0.431 nan 8.310 nan 0.000 0.489 172 I N 0.169 120.667 120.570 -0.119 0.000 2.151 172 I HA -0.197 3.974 4.170 0.001 0.000 0.243 172 I C 1.496 177.334 176.117 -0.464 0.000 1.080 172 I CA 1.524 62.609 61.300 -0.358 0.000 1.339 172 I CB -0.317 37.339 38.000 -0.573 0.000 1.039 172 I HN 0.283 nan 8.210 nan 0.000 0.409 173 Y N 0.932 121.164 120.300 -0.114 0.000 2.532 173 Y HA 0.182 4.732 4.550 0.000 0.000 0.283 173 Y C 0.530 176.463 175.900 0.055 0.000 1.181 173 Y CA -0.674 57.394 58.100 -0.053 0.000 1.256 173 Y CB -0.525 37.892 38.460 -0.073 0.000 1.112 173 Y HN 0.023 nan 8.280 nan 0.000 0.521 174 K N 0.431 120.875 120.400 0.073 0.000 3.156 174 K HA -0.221 4.099 4.320 0.001 0.000 0.266 174 K C -0.602 175.988 176.600 -0.017 0.000 0.966 174 K CA 0.313 56.609 56.287 0.015 0.000 0.719 174 K CB -1.843 30.682 32.500 0.041 0.000 1.333 174 K HN 0.406 nan 8.250 nan 0.000 0.468 175 L N 2.100 123.303 121.223 -0.032 0.000 2.376 175 L HA -0.008 4.332 4.340 0.001 0.000 0.250 175 L C 1.493 178.251 176.870 -0.187 0.000 1.335 175 L CA -0.171 54.617 54.840 -0.087 0.000 1.214 175 L CB -0.270 41.800 42.059 0.018 0.000 1.395 175 L HN 0.282 nan 8.230 nan 0.000 0.424 176 D N 0.138 120.433 120.400 -0.176 0.000 2.371 176 D HA -0.158 4.482 4.640 0.001 0.000 0.221 176 D C 1.099 177.295 176.300 -0.174 0.000 0.986 176 D CA 0.364 54.260 54.000 -0.173 0.000 0.899 176 D CB -0.118 40.601 40.800 -0.135 0.000 0.902 176 D HN 0.468 nan 8.370 nan 0.000 0.530 177 N N 0.358 118.943 118.700 -0.191 0.000 2.383 177 N HA 0.031 4.771 4.740 0.001 0.000 0.192 177 N C 0.021 175.411 175.510 -0.200 0.000 1.141 177 N CA -0.331 52.602 53.050 -0.195 0.000 0.851 177 N CB -0.014 38.335 38.487 -0.229 0.000 0.976 177 N HN 0.216 nan 8.380 nan 0.000 0.465 178 L N 0.302 121.417 121.223 -0.179 0.000 2.346 178 L HA 0.627 4.967 4.340 0.001 0.000 0.276 178 L C -1.234 175.587 176.870 -0.083 0.000 1.006 178 L CA -0.889 53.870 54.840 -0.135 0.000 0.817 178 L CB 2.165 44.190 42.059 -0.056 0.000 1.272 178 L HN -0.140 nan 8.230 nan 0.000 0.421 179 V N 4.454 124.356 119.914 -0.020 0.000 2.525 179 V HA 0.815 4.936 4.120 0.001 0.000 0.299 179 V C -0.192 176.078 176.094 0.293 0.000 1.034 179 V CA -0.480 61.929 62.300 0.182 0.000 0.863 179 V CB 1.490 33.454 31.823 0.236 0.000 0.999 179 V HN 0.982 nan 8.190 nan 0.000 0.423 180 A N 5.792 128.835 122.820 0.371 0.000 2.292 180 A HA 0.915 5.236 4.320 0.001 0.000 0.319 180 A C -0.832 176.832 177.584 0.133 0.000 1.206 180 A CA -0.369 51.778 52.037 0.183 0.000 0.835 180 A CB 0.513 19.487 19.000 -0.043 0.000 1.164 180 A HN 0.714 nan 8.150 nan 0.000 0.505 181 I N 2.698 123.345 120.570 0.128 0.000 2.354 181 I HA 0.321 4.492 4.170 0.001 0.000 0.292 181 I C -0.820 175.290 176.117 -0.012 0.000 0.989 181 I CA -0.273 61.074 61.300 0.080 0.000 1.188 181 I CB 1.527 39.640 38.000 0.188 0.000 1.342 181 I HN 0.329 nan 8.210 nan 0.000 0.457 182 L N 5.693 126.863 121.223 -0.089 0.000 2.262 182 L HA 0.313 4.653 4.340 0.001 0.000 0.288 182 L C 0.143 176.923 176.870 -0.149 0.000 1.035 182 L CA -0.263 54.485 54.840 -0.154 0.000 0.820 182 L CB 0.560 42.473 42.059 -0.243 0.000 1.204 182 L HN 0.443 nan 8.230 nan 0.000 0.424 183 D N 4.325 124.663 120.400 -0.103 0.000 2.498 183 D HA 0.045 4.685 4.640 0.001 0.000 0.229 183 D C 0.026 176.259 176.300 -0.112 0.000 1.188 183 D CA -0.202 53.748 54.000 -0.084 0.000 1.028 183 D CB 0.249 41.037 40.800 -0.021 0.000 1.087 183 D HN 0.155 nan 8.370 nan 0.000 0.510 184 I N 4.109 124.578 120.570 -0.168 0.000 2.213 184 I HA 0.017 4.187 4.170 0.001 0.000 0.295 184 I C 0.958 177.078 176.117 0.005 0.000 1.172 184 I CA -0.185 61.021 61.300 -0.156 0.000 1.443 184 I CB -0.960 36.892 38.000 -0.247 0.000 1.491 184 I HN 0.265 nan 8.210 nan 0.000 0.652 185 N N 4.112 122.819 118.700 0.012 0.000 2.251 185 N HA 0.040 4.780 4.740 0.001 0.000 0.217 185 N C 1.050 176.540 175.510 -0.034 0.000 1.124 185 N CA -0.350 52.731 53.050 0.052 0.000 0.843 185 N CB 0.217 38.755 38.487 0.084 0.000 1.024 185 N HN 0.513 nan 8.380 nan 0.000 0.501 186 R N -1.708 118.702 120.500 -0.150 0.000 3.621 186 R HA -0.132 4.209 4.340 0.001 0.000 0.410 186 R C -1.103 175.144 176.300 -0.089 0.000 0.541 186 R CA 1.230 57.148 56.100 -0.304 0.000 1.518 186 R CB -1.300 28.634 30.300 -0.610 0.000 2.022 186 R HN 0.344 nan 8.270 nan 0.000 0.356 187 L N -0.440 120.779 121.223 -0.006 0.000 2.354 187 L HA 0.656 4.997 4.340 0.001 0.000 0.269 187 L C 1.034 177.934 176.870 0.049 0.000 1.005 187 L CA -0.245 54.616 54.840 0.035 0.000 0.819 187 L CB 1.995 44.104 42.059 0.084 0.000 1.311 187 L HN 0.213 nan 8.230 nan 0.000 0.423 188 G N -0.201 108.605 108.800 0.011 0.000 2.849 188 G HA2 0.163 4.123 3.960 0.001 0.000 0.174 188 G HA3 0.163 4.123 3.960 0.001 0.000 0.174 188 G C 0.288 175.085 174.900 -0.171 0.000 1.370 188 G CA -0.066 45.003 45.100 -0.053 0.000 1.040 188 G HN 0.656 nan 8.290 nan 0.000 0.582 189 Q N -1.066 118.515 119.800 -0.366 0.000 2.062 189 Q HA -0.037 4.303 4.340 0.001 0.000 0.196 189 Q C 2.129 178.017 176.000 -0.188 0.000 0.967 189 Q CA 2.205 57.642 55.803 -0.610 0.000 0.832 189 Q CB -0.085 28.309 28.738 -0.573 0.000 0.899 189 Q HN 0.522 nan 8.270 nan 0.000 0.442 190 S N -1.581 114.053 115.700 -0.110 0.000 2.666 190 S HA 0.308 4.778 4.470 0.001 0.000 0.239 190 S C -0.377 174.212 174.600 -0.019 0.000 1.031 190 S CA -0.521 57.653 58.200 -0.044 0.000 1.015 190 S CB 0.780 63.953 63.200 -0.045 0.000 0.981 190 S HN 0.273 nan 8.310 nan 0.000 0.547 191 D N 0.465 120.855 120.400 -0.018 0.000 2.764 191 D HA 0.376 5.017 4.640 0.001 0.000 0.293 191 D C -3.268 173.034 176.300 0.003 0.000 1.287 191 D CA -1.136 52.863 54.000 -0.001 0.000 0.768 191 D CB 1.169 41.965 40.800 -0.007 0.000 1.288 191 D HN -0.122 nan 8.370 nan 0.000 0.426 192 P HA 0.259 nan 4.420 nan 0.000 0.266 192 P C -0.849 176.452 177.300 0.002 0.000 1.195 192 P CA -0.017 63.084 63.100 0.002 0.000 0.768 192 P CB 0.342 32.041 31.700 -0.003 0.000 0.838 193 A N 5.836 128.663 122.820 0.012 0.000 2.483 193 A HA 0.190 4.511 4.320 0.001 0.000 0.238 193 A C -1.132 176.469 177.584 0.028 0.000 1.070 193 A CA -0.643 51.415 52.037 0.036 0.000 0.770 193 A CB -1.000 18.051 19.000 0.085 0.000 1.008 193 A HN 0.444 nan 8.150 nan 0.000 0.497 194 P HA -0.165 nan 4.420 nan 0.000 0.215 194 P C 1.092 178.373 177.300 -0.033 0.000 1.157 194 P CA 1.268 64.359 63.100 -0.015 0.000 0.874 194 P CB 0.011 31.693 31.700 -0.031 0.000 0.790 195 L N -2.208 118.986 121.223 -0.048 0.000 2.554 195 L HA -0.034 4.307 4.340 0.001 0.000 0.226 195 L C 1.538 178.419 176.870 0.018 0.000 1.137 195 L CA 0.344 55.117 54.840 -0.111 0.000 0.863 195 L CB -0.650 41.136 42.059 -0.454 0.000 0.985 195 L HN 0.091 nan 8.230 nan 0.000 0.451 196 Q N -0.038 119.797 119.800 0.059 0.000 2.174 196 Q HA -0.390 3.951 4.340 0.001 0.000 0.427 196 Q C 0.535 176.588 176.000 0.088 0.000 0.692 196 Q CA 2.236 58.044 55.803 0.008 0.000 0.909 196 Q CB -0.871 27.852 28.738 -0.026 0.000 3.026 196 Q HN 0.574 nan 8.270 nan 0.000 0.891 197 H N 1.012 120.131 119.070 0.082 0.000 2.577 197 H HA 0.170 4.726 4.556 0.001 0.000 0.306 197 H C -0.054 175.320 175.328 0.077 0.000 1.109 197 H CA -0.286 55.802 56.048 0.066 0.000 1.063 197 H CB 0.233 30.002 29.762 0.011 0.000 1.535 197 H HN 0.179 nan 8.280 nan 0.000 0.532 198 Q N 1.421 121.338 119.800 0.194 0.000 2.844 198 Q HA 0.054 4.394 4.340 0.001 0.000 0.235 198 Q C 0.788 176.876 176.000 0.146 0.000 1.336 198 Q CA -0.463 55.401 55.803 0.102 0.000 1.026 198 Q CB 0.592 29.333 28.738 0.004 0.000 1.513 198 Q HN 0.499 nan 8.270 nan 0.000 0.577 199 M N 1.003 120.703 119.600 0.166 0.000 2.149 199 M HA -0.184 4.296 4.480 0.001 0.000 0.261 199 M C 1.521 177.904 176.300 0.139 0.000 1.064 199 M CA 1.461 56.871 55.300 0.183 0.000 1.102 199 M CB -0.965 31.673 32.600 0.064 0.000 1.369 199 M HN 0.518 nan 8.290 nan 0.000 0.408 200 D N 0.664 121.108 120.400 0.073 0.000 2.133 200 D HA -0.204 4.437 4.640 0.001 0.000 0.195 200 D C 1.987 178.310 176.300 0.039 0.000 0.997 200 D CA 1.541 55.570 54.000 0.048 0.000 0.840 200 D CB -0.928 39.888 40.800 0.027 0.000 0.947 200 D HN 0.445 nan 8.370 nan 0.000 0.452 201 I N -0.687 119.881 120.570 -0.003 0.000 2.353 201 I HA -0.238 3.932 4.170 0.001 0.000 0.248 201 I C 2.277 178.364 176.117 -0.050 0.000 1.119 201 I CA 0.743 62.001 61.300 -0.070 0.000 1.417 201 I CB -0.366 37.532 38.000 -0.170 0.000 1.078 201 I HN -0.133 nan 8.210 nan 0.000 0.421 202 Y N 0.936 121.255 120.300 0.032 0.000 2.165 202 Y HA -0.326 4.224 4.550 0.000 0.000 0.286 202 Y C 2.799 178.736 175.900 0.062 0.000 1.155 202 Y CA 1.863 59.996 58.100 0.054 0.000 1.164 202 Y CB -0.678 37.803 38.460 0.035 0.000 0.978 202 Y HN 0.239 nan 8.280 nan 0.000 0.513 203 Q N 0.489 120.402 119.800 0.188 0.000 2.084 203 Q HA -0.224 4.116 4.340 0.001 0.000 0.202 203 Q C 1.990 178.065 176.000 0.125 0.000 0.978 203 Q CA 1.862 57.740 55.803 0.125 0.000 0.844 203 Q CB -0.042 28.743 28.738 0.078 0.000 0.898 203 Q HN 0.368 nan 8.270 nan 0.000 0.426 204 K N -0.077 120.381 120.400 0.097 0.000 2.026 204 K HA -0.143 4.177 4.320 0.001 0.000 0.208 204 K C 2.241 178.919 176.600 0.129 0.000 1.048 204 K CA 1.679 58.018 56.287 0.087 0.000 0.929 204 K CB -0.055 32.469 32.500 0.039 0.000 0.713 204 K HN 0.163 nan 8.250 nan 0.000 0.439 205 R N 0.103 120.680 120.500 0.129 0.000 2.073 205 R HA -0.120 4.220 4.340 0.001 0.000 0.234 205 R C 2.524 179.069 176.300 0.410 0.000 1.134 205 R CA 1.637 57.850 56.100 0.188 0.000 0.952 205 R CB -0.682 29.629 30.300 0.019 0.000 0.850 205 R HN 0.272 nan 8.270 nan 0.000 0.433 206 C N 0.707 120.216 119.300 0.348 0.000 2.432 206 C HA -0.083 4.377 4.460 0.001 0.000 0.277 206 C C 2.366 177.583 174.990 0.378 0.000 1.249 206 C CA 0.726 59.915 59.018 0.285 0.000 1.725 206 C CB -0.747 27.071 27.740 0.129 0.000 2.028 206 C HN 0.526 nan 8.230 nan 0.000 0.477 207 E N 0.735 121.111 120.200 0.293 0.000 2.153 207 E HA -0.159 4.192 4.350 0.001 0.000 0.194 207 E C 2.297 179.045 176.600 0.247 0.000 0.988 207 E CA 1.254 57.811 56.400 0.261 0.000 0.811 207 E CB -0.213 29.593 29.700 0.176 0.000 0.746 207 E HN 0.687 nan 8.360 nan 0.000 0.466 208 A N 0.256 123.227 122.820 0.252 0.000 1.969 208 A HA -0.101 4.219 4.320 0.001 0.000 0.218 208 A C 1.523 179.176 177.584 0.116 0.000 1.169 208 A CA 0.860 52.991 52.037 0.157 0.000 0.635 208 A CB -0.381 18.701 19.000 0.135 0.000 0.810 208 A HN 0.195 nan 8.150 nan 0.000 0.445 209 F N -0.668 119.425 119.950 0.239 0.000 2.692 209 F HA 0.354 4.881 4.527 0.000 0.000 0.303 209 F C 1.695 177.741 175.800 0.410 0.000 1.114 209 F CA 0.755 58.941 58.000 0.310 0.000 1.361 209 F CB 0.393 39.624 39.000 0.385 0.000 1.063 209 F HN 0.364 nan 8.300 nan 0.000 0.550 210 G N -1.159 107.906 108.800 0.441 0.000 2.157 210 G HA2 -0.278 3.682 3.960 0.001 0.000 0.239 210 G HA3 -0.278 3.682 3.960 0.001 0.000 0.239 210 G C -0.215 174.876 174.900 0.318 0.000 0.982 210 G CA -0.649 44.631 45.100 0.300 0.000 0.650 210 G HN 0.186 nan 8.290 nan 0.000 0.527 211 W N 0.196 121.603 121.300 0.178 0.000 2.381 211 W HA 0.668 5.328 4.660 0.000 0.000 0.329 211 W C 0.637 177.260 176.519 0.174 0.000 1.157 211 W CA -1.015 56.425 57.345 0.158 0.000 1.240 211 W CB 0.519 30.057 29.460 0.130 0.000 1.199 211 W HN 0.254 nan 8.180 nan 0.000 0.579 212 H N 1.839 121.046 119.070 0.228 0.000 2.944 212 H HA 0.491 5.048 4.556 0.000 0.000 0.278 212 H C -0.597 174.855 175.328 0.206 0.000 1.083 212 H CA -0.267 55.883 56.048 0.171 0.000 1.479 212 H CB 0.205 30.027 29.762 0.101 0.000 1.486 212 H HN 0.391 nan 8.280 nan 0.000 0.493 213 A N 6.783 129.522 122.820 -0.135 0.000 2.271 213 A HA 0.517 4.837 4.320 0.001 0.000 0.317 213 A C -0.629 176.797 177.584 -0.265 0.000 1.245 213 A CA -0.767 51.205 52.037 -0.108 0.000 0.857 213 A CB 0.153 19.172 19.000 0.031 0.000 1.175 213 A HN 0.757 nan 8.150 nan 0.000 0.512 214 I N 3.475 123.908 120.570 -0.227 0.000 2.362 214 I HA 0.325 4.495 4.170 0.001 0.000 0.289 214 I C -0.434 175.610 176.117 -0.121 0.000 0.994 214 I CA -0.332 60.856 61.300 -0.186 0.000 1.158 214 I CB 1.657 39.551 38.000 -0.177 0.000 1.315 214 I HN 0.506 nan 8.210 nan 0.000 0.451 215 I N 7.097 127.614 120.570 -0.088 0.000 2.371 215 I HA 0.308 4.478 4.170 0.001 0.000 0.290 215 I C 0.014 176.076 176.117 -0.092 0.000 1.028 215 I CA -0.446 60.806 61.300 -0.079 0.000 1.345 215 I CB 1.102 39.074 38.000 -0.048 0.000 1.407 215 I HN 0.368 nan 8.210 nan 0.000 0.501 216 V N 1.946 121.790 119.914 -0.116 0.000 3.040 216 V HA 0.499 4.620 4.120 0.001 0.000 0.312 216 V C -0.604 175.412 176.094 -0.130 0.000 1.115 216 V CA -0.989 61.242 62.300 -0.115 0.000 0.998 216 V CB 1.983 33.723 31.823 -0.137 0.000 1.042 216 V HN 0.651 nan 8.190 nan 0.000 0.433 217 D N 2.181 122.518 120.400 -0.105 0.000 2.346 217 D HA 0.304 4.945 4.640 0.001 0.000 0.260 217 D C 1.241 177.455 176.300 -0.144 0.000 1.252 217 D CA 0.744 54.677 54.000 -0.112 0.000 0.895 217 D CB 1.281 42.057 40.800 -0.041 0.000 1.097 217 D HN 0.911 nan 8.370 nan 0.000 0.489 218 G N 3.038 111.678 108.800 -0.267 0.000 2.679 218 G HA2 -0.167 3.794 3.960 0.001 0.000 0.212 218 G HA3 -0.167 3.794 3.960 0.001 0.000 0.212 218 G C 0.899 175.599 174.900 -0.332 0.000 1.137 218 G CA 0.218 45.130 45.100 -0.313 0.000 0.787 218 G HN 0.615 nan 8.290 nan 0.000 0.534 219 H N -0.350 118.727 119.070 0.012 0.000 2.594 219 H HA 0.228 4.785 4.556 0.000 0.000 0.279 219 H C 0.534 175.874 175.328 0.020 0.000 1.042 219 H CA -0.131 55.936 56.048 0.032 0.000 1.177 219 H CB 0.630 30.433 29.762 0.069 0.000 1.524 219 H HN 0.272 nan 8.280 nan 0.000 0.537 220 S N 1.794 117.535 115.700 0.068 0.000 2.423 220 S HA 0.194 4.664 4.470 0.001 0.000 0.317 220 S C 1.712 176.327 174.600 0.024 0.000 1.065 220 S CA -0.498 57.727 58.200 0.041 0.000 1.111 220 S CB 0.384 63.594 63.200 0.017 0.000 0.968 220 S HN 0.177 nan 8.310 nan 0.000 0.474 221 V N 3.601 123.530 119.914 0.026 0.000 2.469 221 V HA -0.105 4.015 4.120 0.001 0.000 0.251 221 V C 1.907 177.992 176.094 -0.014 0.000 1.064 221 V CA 1.869 64.175 62.300 0.011 0.000 1.066 221 V CB -1.142 30.678 31.823 -0.005 0.000 0.667 221 V HN 0.745 nan 8.190 nan 0.000 0.461 222 E N 0.970 121.160 120.200 -0.016 0.000 2.031 222 E HA -0.175 4.175 4.350 0.001 0.000 0.193 222 E C 2.297 178.890 176.600 -0.011 0.000 0.994 222 E CA 1.976 58.363 56.400 -0.021 0.000 0.800 222 E CB -0.400 29.292 29.700 -0.012 0.000 0.752 222 E HN 0.757 nan 8.360 nan 0.000 0.447 223 E N 0.261 120.454 120.200 -0.012 0.000 2.110 223 E HA -0.174 4.176 4.350 0.001 0.000 0.193 223 E C 2.193 178.770 176.600 -0.038 0.000 0.988 223 E CA 0.736 57.121 56.400 -0.024 0.000 0.804 223 E CB -0.149 29.530 29.700 -0.035 0.000 0.745 223 E HN 0.216 nan 8.360 nan 0.000 0.458 224 L N 0.333 121.544 121.223 -0.021 0.000 2.012 224 L HA -0.251 4.089 4.340 0.001 0.000 0.210 224 L C 2.684 179.627 176.870 0.122 0.000 1.073 224 L CA 1.021 55.858 54.840 -0.005 0.000 0.748 224 L CB -0.412 41.713 42.059 0.111 0.000 0.891 224 L HN 0.289 nan 8.230 nan 0.000 0.431 225 C N -0.355 119.016 119.300 0.117 0.000 2.425 225 C HA -0.158 4.302 4.460 0.001 0.000 0.277 225 C C 2.785 177.871 174.990 0.160 0.000 1.280 225 C CA 0.712 59.816 59.018 0.143 0.000 1.744 225 C CB -0.725 26.947 27.740 -0.112 0.000 1.989 225 C HN 0.423 nan 8.230 nan 0.000 0.491 226 K N 1.164 121.608 120.400 0.073 0.000 2.025 226 K HA -0.046 4.274 4.320 0.001 0.000 0.207 226 K C 2.305 178.941 176.600 0.059 0.000 1.049 226 K CA 1.469 57.795 56.287 0.064 0.000 0.933 226 K CB -0.353 32.165 32.500 0.030 0.000 0.714 226 K HN 0.442 nan 8.250 nan 0.000 0.438 227 A N 0.764 123.576 122.820 -0.014 0.000 1.865 227 A HA -0.177 4.143 4.320 0.001 0.000 0.217 227 A C 1.949 179.509 177.584 -0.039 0.000 1.191 227 A CA 1.537 53.519 52.037 -0.092 0.000 0.623 227 A CB -0.858 17.986 19.000 -0.261 0.000 0.826 227 A HN 0.229 nan 8.150 nan 0.000 0.444 228 F N 0.332 120.338 119.950 0.093 0.000 2.293 228 F HA 0.013 4.540 4.527 -0.000 0.000 0.300 228 F C 2.553 178.420 175.800 0.110 0.000 1.086 228 F CA 0.808 58.882 58.000 0.122 0.000 1.375 228 F CB -0.815 38.257 39.000 0.121 0.000 1.045 228 F HN 0.278 nan 8.300 nan 0.000 0.516 229 G N -1.056 107.909 108.800 0.275 0.000 2.511 229 G HA2 -0.094 3.866 3.960 0.001 0.000 0.217 229 G HA3 -0.094 3.866 3.960 0.001 0.000 0.217 229 G C 0.739 175.709 174.900 0.117 0.000 1.133 229 G CA -0.178 45.030 45.100 0.180 0.000 0.792 229 G HN 0.240 nan 8.290 nan 0.000 0.539 230 Q N 0.355 120.221 119.800 0.110 0.000 2.386 230 Q HA 0.364 4.705 4.340 0.001 0.000 0.282 230 Q C 0.499 176.517 176.000 0.029 0.000 1.050 230 Q CA -0.356 55.494 55.803 0.078 0.000 0.918 230 Q CB 0.778 29.585 28.738 0.116 0.000 1.266 230 Q HN 0.288 nan 8.270 nan 0.000 0.423 231 A N 3.259 126.059 122.820 -0.034 0.000 2.540 231 A HA 0.037 4.357 4.320 0.001 0.000 0.239 231 A C -0.388 177.019 177.584 -0.295 0.000 1.061 231 A CA 0.360 52.292 52.037 -0.174 0.000 0.758 231 A CB 0.191 19.077 19.000 -0.189 0.000 0.991 231 A HN 0.586 nan 8.150 nan 0.000 0.502 232 K N 1.723 121.901 120.400 -0.371 0.000 2.339 232 K HA 0.395 4.715 4.320 0.001 0.000 0.264 232 K C -0.591 175.725 176.600 -0.473 0.000 0.986 232 K CA -0.583 55.524 56.287 -0.301 0.000 0.866 232 K CB 1.086 33.502 32.500 -0.139 0.000 1.103 232 K HN 0.795 nan 8.250 nan 0.000 0.441 233 H N 1.666 120.680 119.070 -0.092 0.000 2.893 233 H HA 0.061 4.617 4.556 0.000 0.000 0.270 233 H C 0.136 175.405 175.328 -0.098 0.000 1.095 233 H CA 0.131 56.123 56.048 -0.093 0.000 1.186 233 H CB 1.128 30.832 29.762 -0.097 0.000 1.562 233 H HN 0.666 nan 8.280 nan 0.000 0.536 234 Q N -0.093 119.685 119.800 -0.037 0.000 2.737 234 Q HA 0.390 4.731 4.340 0.001 0.000 0.307 234 Q C -3.313 172.558 176.000 -0.215 0.000 0.905 234 Q CA -2.128 53.612 55.803 -0.106 0.000 0.753 234 Q CB 1.938 30.639 28.738 -0.063 0.000 1.463 234 Q HN -0.210 nan 8.270 nan 0.000 0.455 235 P HA 0.077 nan 4.420 nan 0.000 0.265 235 P C -0.802 176.225 177.300 -0.455 0.000 1.193 235 P CA 0.377 62.997 63.100 -0.800 0.000 0.765 235 P CB 0.401 30.970 31.700 -1.886 0.000 0.823 236 T N 1.593 116.095 114.554 -0.087 0.000 2.797 236 T HA 0.606 4.956 4.350 0.001 0.000 0.279 236 T C -0.225 174.775 174.700 0.500 0.000 0.991 236 T CA -0.444 61.806 62.100 0.250 0.000 0.979 236 T CB 1.406 70.383 68.868 0.182 0.000 0.943 236 T HN 0.364 nan 8.240 nan 0.000 0.444 237 A N 4.102 127.189 122.820 0.445 0.000 2.273 237 A HA 0.658 4.978 4.320 0.001 0.000 0.315 237 A C -0.243 177.365 177.584 0.041 0.000 1.256 237 A CA -0.750 51.427 52.037 0.232 0.000 0.851 237 A CB 0.125 19.185 19.000 0.099 0.000 1.172 237 A HN 0.714 nan 8.150 nan 0.000 0.508 238 I N 4.200 124.761 120.570 -0.015 0.000 2.301 238 I HA 0.219 4.390 4.170 0.001 0.000 0.292 238 I C -0.089 175.955 176.117 -0.122 0.000 1.046 238 I CA -0.375 60.852 61.300 -0.122 0.000 1.282 238 I CB 0.386 38.242 38.000 -0.241 0.000 1.409 238 I HN 0.474 nan 8.210 nan 0.000 0.484 239 I N 5.917 126.411 120.570 -0.127 0.000 2.287 239 I HA 0.377 4.547 4.170 0.001 0.000 0.290 239 I C 0.514 176.533 176.117 -0.163 0.000 1.069 239 I CA -0.452 60.762 61.300 -0.144 0.000 1.237 239 I CB 1.047 38.988 38.000 -0.098 0.000 1.418 239 I HN 0.593 nan 8.210 nan 0.000 0.481 240 A N 6.952 129.660 122.820 -0.187 0.000 2.253 240 A HA 0.316 4.637 4.320 0.001 0.000 0.316 240 A C 0.063 177.499 177.584 -0.247 0.000 1.327 240 A CA -0.654 51.261 52.037 -0.203 0.000 0.917 240 A CB 0.419 19.311 19.000 -0.181 0.000 1.162 240 A HN 0.733 nan 8.150 nan 0.000 0.535 241 K N 2.803 123.034 120.400 -0.282 0.000 2.378 241 K HA 0.334 4.654 4.320 0.001 0.000 0.288 241 K C 0.019 176.317 176.600 -0.504 0.000 1.057 241 K CA 0.532 56.571 56.287 -0.414 0.000 0.971 241 K CB 0.184 32.420 32.500 -0.441 0.000 0.975 241 K HN 0.823 nan 8.250 nan 0.000 0.475 242 T N 0.241 114.499 114.554 -0.494 0.000 2.838 242 T HA 0.545 4.895 4.350 0.001 0.000 0.292 242 T C -0.788 173.696 174.700 -0.360 0.000 1.113 242 T CA -0.877 60.954 62.100 -0.448 0.000 1.008 242 T CB 0.681 69.372 68.868 -0.296 0.000 1.259 242 T HN 0.232 nan 8.240 nan 0.000 0.520 243 F N 0.640 120.865 119.950 0.458 0.000 2.482 243 F HA 0.589 5.116 4.527 0.000 0.000 0.331 243 F C 0.587 176.510 175.800 0.206 0.000 1.115 243 F CA -1.089 57.087 58.000 0.293 0.000 0.955 243 F CB 2.072 41.196 39.000 0.206 0.000 1.136 243 F HN 0.578 nan 8.300 nan 0.000 0.452 244 K N 1.328 121.908 120.400 0.300 0.000 2.401 244 K HA 0.382 4.702 4.320 0.001 0.000 0.278 244 K C 0.979 177.676 176.600 0.161 0.000 1.018 244 K CA 0.946 57.358 56.287 0.209 0.000 0.981 244 K CB 0.354 32.969 32.500 0.192 0.000 0.933 244 K HN 0.941 nan 8.250 nan 0.000 0.477 245 G N 2.758 111.619 108.800 0.102 0.000 2.198 245 G HA2 -0.317 3.643 3.960 0.001 0.000 0.260 245 G HA3 -0.317 3.643 3.960 0.001 0.000 0.260 245 G C -0.081 174.805 174.900 -0.024 0.000 1.025 245 G CA 0.525 45.629 45.100 0.008 0.000 0.769 245 G HN 0.659 nan 8.290 nan 0.000 0.507 246 R N 0.121 120.628 120.500 0.012 0.000 2.504 246 R HA 0.418 4.759 4.340 0.001 0.000 0.291 246 R C 1.679 177.901 176.300 -0.131 0.000 0.974 246 R CA 1.688 57.731 56.100 -0.094 0.000 1.077 246 R CB -0.153 29.959 30.300 -0.313 0.000 0.926 246 R HN 1.684 nan 8.270 nan 0.000 0.407 247 G N 3.785 112.501 108.800 -0.141 0.000 2.175 247 G HA2 -0.253 3.707 3.960 0.001 0.000 0.244 247 G HA3 -0.253 3.707 3.960 0.001 0.000 0.244 247 G C 0.104 174.939 174.900 -0.108 0.000 0.982 247 G CA 0.153 45.181 45.100 -0.120 0.000 0.641 247 G HN 0.559 nan 8.290 nan 0.000 0.527 248 I N 2.833 123.326 120.570 -0.128 0.000 2.306 248 I HA 0.247 4.417 4.170 0.001 0.000 0.288 248 I C 0.655 176.667 176.117 -0.176 0.000 1.036 248 I CA -0.598 60.608 61.300 -0.157 0.000 1.221 248 I CB 1.113 38.986 38.000 -0.211 0.000 1.385 248 I HN -0.027 nan 8.210 nan 0.000 0.472 249 T N 4.953 119.423 114.554 -0.140 0.000 2.908 249 T HA 0.149 4.499 4.350 0.001 0.000 0.301 249 T C 1.283 175.893 174.700 -0.150 0.000 1.019 249 T CA 1.006 63.032 62.100 -0.124 0.000 1.152 249 T CB 0.806 69.622 68.868 -0.086 0.000 0.966 249 T HN 1.064 nan 8.240 nan 0.000 0.540 250 G N 1.831 110.552 108.800 -0.131 0.000 2.184 250 G HA2 -0.273 3.687 3.960 0.001 0.000 0.264 250 G HA3 -0.273 3.687 3.960 0.001 0.000 0.264 250 G C 0.694 175.469 174.900 -0.208 0.000 0.975 250 G CA 0.370 45.398 45.100 -0.119 0.000 0.642 250 G HN 0.670 nan 8.290 nan 0.000 0.536 251 V N -0.171 119.548 119.914 -0.325 0.000 3.350 251 V HA 0.275 4.395 4.120 0.001 0.000 0.246 251 V C 1.087 177.013 176.094 -0.280 0.000 1.363 251 V CA 0.788 62.758 62.300 -0.551 0.000 1.162 251 V CB 0.685 31.931 31.823 -0.962 0.000 0.947 251 V HN 0.497 nan 8.190 nan 0.000 0.454 252 E N 1.492 121.581 120.200 -0.186 0.000 2.558 252 E HA -0.147 4.203 4.350 0.001 0.000 0.255 252 E C 0.650 177.241 176.600 -0.016 0.000 0.968 252 E CA 0.860 57.211 56.400 -0.083 0.000 0.939 252 E CB 0.018 29.650 29.700 -0.114 0.000 0.921 252 E HN 0.417 nan 8.360 nan 0.000 0.477 253 D N 2.255 122.719 120.400 0.107 0.000 3.046 253 D HA -0.199 4.441 4.640 0.001 0.000 0.210 253 D C -0.967 175.412 176.300 0.131 0.000 1.124 253 D CA 1.326 55.436 54.000 0.184 0.000 0.986 253 D CB -0.453 40.468 40.800 0.202 0.000 1.118 253 D HN 0.486 nan 8.370 nan 0.000 0.416 254 K N 0.645 121.109 120.400 0.106 0.000 2.118 254 K HA 0.396 4.716 4.320 0.001 0.000 0.264 254 K C 0.467 177.202 176.600 0.225 0.000 1.000 254 K CA -0.585 55.795 56.287 0.155 0.000 0.929 254 K CB 0.953 33.554 32.500 0.169 0.000 1.021 254 K HN 0.181 nan 8.250 nan 0.000 0.463 255 E N 0.323 120.641 120.200 0.198 0.000 2.374 255 E HA 0.055 4.405 4.350 0.001 0.000 0.260 255 E C -0.219 176.507 176.600 0.210 0.000 1.101 255 E CA -0.145 56.358 56.400 0.173 0.000 0.907 255 E CB 0.655 30.417 29.700 0.103 0.000 1.014 255 E HN 0.579 nan 8.360 nan 0.000 0.427 256 S N -0.385 115.395 115.700 0.134 0.000 3.450 256 S HA -0.161 4.310 4.470 0.001 0.000 0.288 256 S C -0.136 174.411 174.600 -0.088 0.000 1.256 256 S CA 0.862 59.069 58.200 0.012 0.000 0.910 256 S CB -1.414 61.749 63.200 -0.062 0.000 1.090 256 S HN 0.710 nan 8.310 nan 0.000 0.630 257 W N 0.115 121.460 121.300 0.075 0.000 2.714 257 W HA 0.352 5.012 4.660 0.001 0.000 0.353 257 W C 0.808 177.374 176.519 0.078 0.000 0.999 257 W CA -0.505 56.876 57.345 0.060 0.000 1.629 257 W CB 0.282 29.773 29.460 0.051 0.000 1.106 257 W HN 0.500 nan 8.180 nan 0.000 0.545 258 H N 0.181 119.366 119.070 0.192 0.000 3.004 258 H HA 0.351 4.907 4.556 0.000 0.000 0.316 258 H C 1.426 176.809 175.328 0.091 0.000 1.014 258 H CA 1.616 57.768 56.048 0.173 0.000 1.454 258 H CB 0.664 30.506 29.762 0.133 0.000 1.472 258 H HN 0.248 nan 8.280 nan 0.000 0.571 259 G N 2.626 111.202 108.800 -0.373 0.000 2.203 259 G HA2 -0.270 3.690 3.960 0.001 0.000 0.263 259 G HA3 -0.270 3.690 3.960 0.001 0.000 0.263 259 G C 0.087 174.808 174.900 -0.297 0.000 1.012 259 G CA 0.625 45.354 45.100 -0.619 0.000 0.749 259 G HN 0.872 nan 8.290 nan 0.000 0.512 260 K N 0.931 121.271 120.400 -0.100 0.000 2.367 260 K HA 0.818 5.138 4.320 0.001 0.000 0.263 260 K C -1.880 174.781 176.600 0.101 0.000 1.000 260 K CA -1.331 54.929 56.287 -0.046 0.000 0.891 260 K CB 1.684 34.085 32.500 -0.165 0.000 1.117 260 K HN 0.268 nan 8.250 nan 0.000 0.443 261 P HA 0.247 nan 4.420 nan 0.000 0.274 261 P C -0.388 177.019 177.300 0.179 0.000 1.231 261 P CA -0.459 62.692 63.100 0.086 0.000 0.790 261 P CB 0.670 32.386 31.700 0.027 0.000 0.951 262 L N 3.988 125.313 121.223 0.170 0.000 2.410 262 L HA 0.194 4.534 4.340 0.001 0.000 0.273 262 L C -1.557 175.381 176.870 0.113 0.000 1.152 262 L CA -1.798 53.150 54.840 0.180 0.000 0.855 262 L CB -0.098 42.011 42.059 0.083 0.000 1.129 262 L HN 0.262 nan 8.230 nan 0.000 0.463 263 P HA -0.008 nan 4.420 nan 0.000 0.269 263 P C 0.285 177.614 177.300 0.048 0.000 1.215 263 P CA -0.308 62.833 63.100 0.069 0.000 0.780 263 P CB 0.940 32.681 31.700 0.068 0.000 0.898 264 K N 1.862 122.280 120.400 0.031 0.000 2.032 264 K HA -0.254 4.066 4.320 0.001 0.000 0.218 264 K C 1.599 178.207 176.600 0.014 0.000 1.054 264 K CA 2.019 58.317 56.287 0.018 0.000 0.941 264 K CB -0.259 32.248 32.500 0.012 0.000 0.720 264 K HN 0.379 nan 8.250 nan 0.000 0.449 265 N N 0.547 119.256 118.700 0.016 0.000 2.142 265 N HA -0.162 4.579 4.740 0.001 0.000 0.186 265 N C 1.707 177.224 175.510 0.011 0.000 1.023 265 N CA 1.282 54.338 53.050 0.010 0.000 0.852 265 N CB -0.260 38.234 38.487 0.011 0.000 0.998 265 N HN 0.324 nan 8.380 nan 0.000 0.424 266 M N 0.651 120.265 119.600 0.023 0.000 2.159 266 M HA -0.104 4.376 4.480 0.001 0.000 0.263 266 M C 1.859 178.162 176.300 0.004 0.000 1.063 266 M CA 1.461 56.774 55.300 0.021 0.000 1.110 266 M CB -0.013 32.617 32.600 0.050 0.000 1.374 266 M HN 0.142 nan 8.290 nan 0.000 0.411 267 A N 0.340 123.166 122.820 0.010 0.000 1.902 267 A HA -0.158 4.163 4.320 0.001 0.000 0.217 267 A C 1.825 179.401 177.584 -0.013 0.000 1.181 267 A CA 2.150 54.186 52.037 -0.002 0.000 0.623 267 A CB -1.081 17.924 19.000 0.008 0.000 0.818 267 A HN 0.600 nan 8.150 nan 0.000 0.443 268 E N -0.359 119.833 120.200 -0.013 0.000 2.070 268 E HA -0.287 4.064 4.350 0.001 0.000 0.197 268 E C 2.270 178.856 176.600 -0.023 0.000 1.004 268 E CA 1.733 58.118 56.400 -0.024 0.000 0.805 268 E CB -0.649 29.037 29.700 -0.023 0.000 0.744 268 E HN 0.870 nan 8.360 nan 0.000 0.451 269 Q N -0.829 118.961 119.800 -0.017 0.000 2.061 269 Q HA -0.130 4.211 4.340 0.001 0.000 0.204 269 Q C 2.373 178.362 176.000 -0.019 0.000 0.984 269 Q CA 1.550 57.343 55.803 -0.016 0.000 0.846 269 Q CB -0.260 28.470 28.738 -0.014 0.000 0.902 269 Q HN 0.336 nan 8.270 nan 0.000 0.421 270 I N 0.613 121.167 120.570 -0.026 0.000 2.179 270 I HA -0.240 3.930 4.170 0.001 0.000 0.242 270 I C 2.261 178.367 176.117 -0.018 0.000 1.088 270 I CA 1.388 62.667 61.300 -0.034 0.000 1.357 270 I CB -0.926 37.042 38.000 -0.053 0.000 1.051 270 I HN 0.257 nan 8.210 nan 0.000 0.409 271 I N 0.239 120.801 120.570 -0.013 0.000 2.286 271 I HA -0.327 3.843 4.170 0.001 0.000 0.248 271 I C 2.611 178.746 176.117 0.030 0.000 1.115 271 I CA 1.103 62.404 61.300 0.002 0.000 1.392 271 I CB -0.300 37.688 38.000 -0.021 0.000 1.065 271 I HN 0.246 nan 8.210 nan 0.000 0.418 272 Q N 1.328 121.132 119.800 0.007 0.000 2.096 272 Q HA -0.281 4.060 4.340 0.001 0.000 0.204 272 Q C 1.981 178.026 176.000 0.076 0.000 0.982 272 Q CA 2.048 57.871 55.803 0.035 0.000 0.850 272 Q CB -0.282 28.458 28.738 0.003 0.000 0.901 272 Q HN 0.524 nan 8.270 nan 0.000 0.422 273 E N -0.697 119.523 120.200 0.033 0.000 2.077 273 E HA -0.176 4.174 4.350 0.001 0.000 0.193 273 E C 1.920 178.534 176.600 0.022 0.000 0.989 273 E CA 1.336 57.747 56.400 0.018 0.000 0.800 273 E CB -0.199 29.494 29.700 -0.011 0.000 0.746 273 E HN 0.518 nan 8.360 nan 0.000 0.452 274 I N 0.074 120.661 120.570 0.029 0.000 2.252 274 I HA -0.248 3.922 4.170 0.001 0.000 0.245 274 I C 2.299 178.445 176.117 0.047 0.000 1.102 274 I CA 1.046 62.358 61.300 0.020 0.000 1.385 274 I CB -0.361 37.649 38.000 0.016 0.000 1.064 274 I HN 0.219 nan 8.210 nan 0.000 0.414 275 Y N 1.758 122.035 120.300 -0.037 0.000 2.128 275 Y HA -0.351 4.200 4.550 0.001 0.000 0.284 275 Y C 2.921 178.801 175.900 -0.033 0.000 1.154 275 Y CA 1.823 59.902 58.100 -0.034 0.000 1.149 275 Y CB -0.406 38.036 38.460 -0.030 0.000 0.976 275 Y HN 0.264 nan 8.280 nan 0.000 0.505 276 S N -0.638 115.106 115.700 0.075 0.000 2.465 276 S HA -0.203 4.268 4.470 0.001 0.000 0.241 276 S C 1.598 176.152 174.600 -0.078 0.000 1.000 276 S CA 1.206 59.400 58.200 -0.009 0.000 0.964 276 S CB -0.370 62.851 63.200 0.034 0.000 0.763 276 S HN 0.563 nan 8.310 nan 0.000 0.512 277 Q N 0.409 120.159 119.800 -0.083 0.000 2.432 277 Q HA 0.314 4.654 4.340 0.001 0.000 0.205 277 Q C 0.433 176.356 176.000 -0.129 0.000 0.945 277 Q CA 0.247 55.997 55.803 -0.089 0.000 0.924 277 Q CB -0.123 28.576 28.738 -0.066 0.000 1.016 277 Q HN 0.646 nan 8.270 nan 0.000 0.503 278 I N 2.060 122.504 120.570 -0.210 0.000 2.379 278 I HA -0.021 4.150 4.170 0.001 0.000 0.290 278 I C 1.318 177.301 176.117 -0.223 0.000 1.063 278 I CA 0.150 61.306 61.300 -0.240 0.000 1.351 278 I CB 0.814 38.595 38.000 -0.365 0.000 1.410 278 I HN 0.034 nan 8.210 nan 0.000 0.505 279 Q N 3.453 123.162 119.800 -0.150 0.000 2.398 279 Q HA 0.059 4.399 4.340 0.001 0.000 0.204 279 Q C 0.431 176.365 176.000 -0.110 0.000 0.932 279 Q CA 0.336 56.069 55.803 -0.117 0.000 0.916 279 Q CB 0.518 29.206 28.738 -0.083 0.000 1.024 279 Q HN 0.696 nan 8.270 nan 0.000 0.504 280 S N -1.732 113.895 115.700 -0.122 0.000 2.543 280 S HA 0.488 4.959 4.470 0.001 0.000 0.274 280 S C -0.339 174.197 174.600 -0.106 0.000 1.149 280 S CA -0.122 58.019 58.200 -0.099 0.000 0.866 280 S CB 1.439 64.594 63.200 -0.074 0.000 1.111 280 S HN 0.005 nan 8.310 nan 0.000 0.457 281 K N 2.128 122.478 120.400 -0.083 0.000 2.393 281 K HA 0.368 4.688 4.320 0.001 0.000 0.193 281 K C 0.625 177.187 176.600 -0.064 0.000 1.026 281 K CA 0.690 56.935 56.287 -0.069 0.000 1.064 281 K CB -0.307 32.172 32.500 -0.035 0.000 0.833 281 K HN 0.678 nan 8.250 nan 0.000 0.521 282 K N 2.066 122.428 120.400 -0.063 0.000 2.368 282 K HA 0.104 4.424 4.320 0.001 0.000 0.282 282 K C -0.543 176.007 176.600 -0.083 0.000 1.035 282 K CA -0.135 56.117 56.287 -0.058 0.000 0.973 282 K CB 0.488 32.961 32.500 -0.045 0.000 0.957 282 K HN 0.264 nan 8.250 nan 0.000 0.474 283 K N 3.952 124.300 120.400 -0.087 0.000 2.098 283 K HA 0.287 4.607 4.320 0.001 0.000 0.261 283 K C -0.156 176.375 176.600 -0.115 0.000 0.987 283 K CA -0.635 55.570 56.287 -0.138 0.000 0.916 283 K CB 1.046 33.470 32.500 -0.125 0.000 1.039 283 K HN 0.499 nan 8.250 nan 0.000 0.455 284 I N 2.933 123.397 120.570 -0.178 0.000 2.472 284 I HA 0.135 4.306 4.170 0.001 0.000 0.290 284 I C 0.013 176.165 176.117 0.057 0.000 1.016 284 I CA -0.508 60.760 61.300 -0.054 0.000 1.348 284 I CB 0.571 38.563 38.000 -0.013 0.000 1.417 284 I HN 0.258 nan 8.210 nan 0.000 0.521 285 L N 5.241 126.512 121.223 0.081 0.000 2.357 285 L HA 0.562 4.903 4.340 0.001 0.000 0.273 285 L C 0.500 177.416 176.870 0.076 0.000 1.080 285 L CA -0.583 54.308 54.840 0.085 0.000 0.803 285 L CB 1.293 43.367 42.059 0.026 0.000 1.174 285 L HN 0.670 nan 8.230 nan 0.000 0.443 286 A N 1.532 124.340 122.820 -0.021 0.000 2.407 286 A HA 0.448 4.768 4.320 0.001 0.000 0.248 286 A C 0.022 177.434 177.584 -0.287 0.000 1.082 286 A CA -0.177 51.684 52.037 -0.293 0.000 0.785 286 A CB 0.093 18.633 19.000 -0.766 0.000 1.020 286 A HN 0.674 nan 8.150 nan 0.000 0.489 287 T N 4.892 119.260 114.554 -0.310 0.000 2.767 287 T HA 0.503 4.853 4.350 0.001 0.000 0.288 287 T C -2.400 172.160 174.700 -0.233 0.000 0.963 287 T CA -0.792 61.181 62.100 -0.212 0.000 1.019 287 T CB 0.988 69.760 68.868 -0.159 0.000 0.923 287 T HN 0.575 nan 8.240 nan 0.000 0.468 288 P HA 0.296 nan 4.420 nan 0.000 0.272 288 P C -2.679 174.590 177.300 -0.053 0.000 1.230 288 P CA -1.601 61.437 63.100 -0.104 0.000 0.788 288 P CB -0.134 31.530 31.700 -0.059 0.000 0.949 289 P HA 0.202 nan 4.420 nan 0.000 0.283 289 P C -0.555 176.750 177.300 0.009 0.000 1.271 289 P CA -0.449 62.673 63.100 0.038 0.000 0.841 289 P CB 0.674 32.445 31.700 0.118 0.000 1.122 290 Q N 0.861 120.667 119.800 0.010 0.000 2.332 290 Q HA 0.130 4.470 4.340 0.001 0.000 0.263 290 Q C 0.100 176.050 176.000 -0.082 0.000 0.979 290 Q CA 0.465 56.249 55.803 -0.032 0.000 0.885 290 Q CB 0.416 29.148 28.738 -0.011 0.000 1.218 290 Q HN 0.436 nan 8.270 nan 0.000 0.405 291 E N 2.264 122.311 120.200 -0.255 0.000 2.069 291 E HA 0.040 4.391 4.350 0.001 0.000 0.254 291 E C -0.379 175.960 176.600 -0.434 0.000 1.088 291 E CA -0.062 55.865 56.400 -0.788 0.000 1.017 291 E CB 0.208 29.399 29.700 -0.848 0.000 1.226 291 E HN 0.461 nan 8.360 nan 0.000 0.458 292 D N 0.060 120.450 120.400 -0.017 0.000 2.469 292 D HA 0.078 4.719 4.640 0.001 0.000 0.213 292 D C 0.495 176.944 176.300 0.248 0.000 1.135 292 D CA -0.462 53.603 54.000 0.108 0.000 0.834 292 D CB 0.243 41.076 40.800 0.054 0.000 1.009 292 D HN 0.179 nan 8.370 nan 0.000 0.507 293 A N 2.143 125.253 122.820 0.484 0.000 2.492 293 A HA 0.450 4.771 4.320 0.001 0.000 0.254 293 A C -1.950 175.774 177.584 0.232 0.000 1.091 293 A CA -0.870 51.350 52.037 0.306 0.000 0.768 293 A CB -0.060 19.051 19.000 0.185 0.000 1.028 293 A HN 0.120 nan 8.150 nan 0.000 0.498 294 P HA 0.121 nan 4.420 nan 0.000 0.271 294 P C 0.102 177.457 177.300 0.091 0.000 1.233 294 P CA -0.134 63.037 63.100 0.119 0.000 0.789 294 P CB 0.509 32.268 31.700 0.099 0.000 0.951 295 S N -0.294 115.452 115.700 0.077 0.000 2.584 295 S HA 0.407 4.878 4.470 0.001 0.000 0.273 295 S C -0.150 174.477 174.600 0.045 0.000 1.311 295 S CA -0.577 57.656 58.200 0.055 0.000 1.034 295 S CB 0.479 63.711 63.200 0.053 0.000 0.939 295 S HN 0.267 nan 8.310 nan 0.000 0.513 296 V N 2.284 122.218 119.914 0.033 0.000 2.638 296 V HA 0.376 4.496 4.120 0.001 0.000 0.306 296 V C -0.712 175.395 176.094 0.021 0.000 1.052 296 V CA -0.776 61.541 62.300 0.028 0.000 0.885 296 V CB 1.913 33.753 31.823 0.029 0.000 0.999 296 V HN 1.053 nan 8.190 nan 0.000 0.424 297 D N 3.256 123.668 120.400 0.020 0.000 2.280 297 D HA 0.394 5.035 4.640 0.001 0.000 0.243 297 D C 0.801 177.110 176.300 0.015 0.000 1.129 297 D CA -0.184 53.827 54.000 0.018 0.000 0.848 297 D CB 1.125 41.936 40.800 0.019 0.000 1.107 297 D HN 0.482 nan 8.370 nan 0.000 0.471 298 I N 2.803 123.381 120.570 0.014 0.000 3.749 298 I HA 0.143 4.313 4.170 0.001 0.000 0.314 298 I C 1.018 177.145 176.117 0.016 0.000 1.267 298 I CA -0.314 60.994 61.300 0.013 0.000 1.169 298 I CB -0.519 37.487 38.000 0.010 0.000 1.009 298 I HN 0.386 nan 8.210 nan 0.000 0.444 299 A N 1.117 123.948 122.820 0.017 0.000 2.492 299 A HA 0.040 4.360 4.320 0.001 0.000 0.236 299 A C 0.476 178.074 177.584 0.023 0.000 1.078 299 A CA -0.091 51.958 52.037 0.019 0.000 0.773 299 A CB -0.006 19.005 19.000 0.018 0.000 1.023 299 A HN 0.333 nan 8.150 nan 0.000 0.504 300 N N -0.471 118.245 118.700 0.026 0.000 2.293 300 N HA 0.097 4.837 4.740 0.001 0.000 0.253 300 N C -0.517 175.011 175.510 0.030 0.000 1.248 300 N CA 0.718 53.787 53.050 0.031 0.000 0.845 300 N CB -0.107 38.399 38.487 0.032 0.000 1.073 300 N HN 0.473 nan 8.380 nan 0.000 0.464 301 I N 2.721 123.313 120.570 0.036 0.000 2.339 301 I HA 0.307 4.477 4.170 0.001 0.000 0.290 301 I C 0.658 176.794 176.117 0.032 0.000 0.994 301 I CA -0.501 60.818 61.300 0.032 0.000 1.191 301 I CB 1.094 39.117 38.000 0.037 0.000 1.343 301 I HN 0.150 nan 8.210 nan 0.000 0.458 302 R N 5.922 126.437 120.500 0.024 0.000 2.589 302 R HA 0.545 4.885 4.340 0.001 0.000 0.293 302 R C -0.474 175.835 176.300 0.016 0.000 0.963 302 R CA -1.160 54.953 56.100 0.022 0.000 0.905 302 R CB 1.807 32.119 30.300 0.020 0.000 1.144 302 R HN 0.466 nan 8.270 nan 0.000 0.459 303 M N 3.839 123.446 119.600 0.012 0.000 2.245 303 M HA 0.022 4.503 4.480 0.001 0.000 0.335 303 M C -1.259 175.045 176.300 0.007 0.000 1.155 303 M CA -1.304 54.000 55.300 0.007 0.000 1.055 303 M CB 0.105 32.707 32.600 0.003 0.000 1.670 303 M HN 0.328 nan 8.290 nan 0.000 0.447 304 P HA -0.026 nan 4.420 nan 0.000 0.234 304 P C -0.239 177.052 177.300 -0.015 0.000 1.167 304 P CA 0.647 63.746 63.100 -0.002 0.000 0.763 304 P CB 0.202 31.901 31.700 -0.003 0.000 0.835 305 S N -2.246 113.443 115.700 -0.018 0.000 2.643 305 S HA 0.448 4.918 4.470 0.001 0.000 0.270 305 S C -0.520 174.071 174.600 -0.015 0.000 1.166 305 S CA -1.052 57.135 58.200 -0.021 0.000 0.815 305 S CB 0.582 63.759 63.200 -0.038 0.000 1.139 305 S HN -0.117 nan 8.310 nan 0.000 0.472 306 L N 1.545 122.762 121.223 -0.011 0.000 2.479 306 L HA 0.325 4.665 4.340 0.001 0.000 0.270 306 L C -2.156 174.706 176.870 -0.014 0.000 1.236 306 L CA -1.554 53.287 54.840 0.001 0.000 0.823 306 L CB -0.136 41.928 42.059 0.009 0.000 1.098 306 L HN 0.482 nan 8.230 nan 0.000 0.500 307 P HA 0.003 nan 4.420 nan 0.000 0.269 307 P C -0.563 176.700 177.300 -0.062 0.000 1.209 307 P CA -0.086 63.010 63.100 -0.007 0.000 0.776 307 P CB 0.574 32.368 31.700 0.157 0.000 0.876 308 S N -0.095 115.464 115.700 -0.236 0.000 2.661 308 S HA 0.295 4.766 4.470 0.001 0.000 0.245 308 S C -0.175 174.269 174.600 -0.260 0.000 1.117 308 S CA -0.511 57.568 58.200 -0.203 0.000 1.091 308 S CB -0.913 62.166 63.200 -0.202 0.000 0.887 308 S HN 0.185 nan 8.310 nan 0.000 0.491 309 Y N 1.892 122.193 120.300 0.003 0.000 2.289 309 Y HA 0.530 5.081 4.550 0.000 0.000 0.332 309 Y C 0.764 176.669 175.900 0.009 0.000 1.324 309 Y CA -0.741 57.361 58.100 0.003 0.000 1.478 309 Y CB 0.567 39.035 38.460 0.012 0.000 1.378 309 Y HN 0.160 nan 8.280 nan 0.000 0.558 310 K N 0.610 121.125 120.400 0.192 0.000 2.413 310 K HA 0.467 4.787 4.320 0.001 0.000 0.257 310 K C -1.543 175.110 176.600 0.088 0.000 0.946 310 K CA -0.629 55.719 56.287 0.103 0.000 0.823 310 K CB 1.173 33.711 32.500 0.063 0.000 1.109 310 K HN 0.464 nan 8.250 nan 0.000 0.427 311 V N 3.667 123.623 119.914 0.070 0.000 2.644 311 V HA 0.052 4.173 4.120 0.001 0.000 0.305 311 V C 1.429 177.538 176.094 0.025 0.000 1.053 311 V CA 1.931 64.258 62.300 0.045 0.000 1.186 311 V CB 0.489 32.334 31.823 0.036 0.000 0.895 311 V HN 1.202 nan 8.190 nan 0.000 0.490 312 G N 3.921 112.727 108.800 0.011 0.000 2.284 312 G HA2 -0.200 3.760 3.960 0.001 0.000 0.230 312 G HA3 -0.200 3.760 3.960 0.001 0.000 0.230 312 G C 0.040 174.938 174.900 -0.003 0.000 1.021 312 G CA 0.076 45.177 45.100 0.002 0.000 0.619 312 G HN 0.671 nan 8.290 nan 0.000 0.510 313 D N 1.286 121.692 120.400 0.010 0.000 2.362 313 D HA 0.513 5.153 4.640 0.001 0.000 0.238 313 D C 0.659 176.944 176.300 -0.024 0.000 1.212 313 D CA 0.469 54.473 54.000 0.006 0.000 0.902 313 D CB 0.520 41.345 40.800 0.041 0.000 1.180 313 D HN 0.392 nan 8.370 nan 0.000 0.445 314 K N 0.750 121.129 120.400 -0.035 0.000 2.244 314 K HA 0.687 5.008 4.320 0.001 0.000 0.260 314 K C -0.649 175.906 176.600 -0.075 0.000 0.951 314 K CA -0.604 55.641 56.287 -0.071 0.000 0.826 314 K CB 1.847 34.306 32.500 -0.069 0.000 1.108 314 K HN 0.343 nan 8.250 nan 0.000 0.433 315 I N 1.441 121.942 120.570 -0.115 0.000 2.743 315 I HA 0.343 4.513 4.170 0.001 0.000 0.292 315 I C -1.234 174.795 176.117 -0.145 0.000 1.343 315 I CA -0.637 60.589 61.300 -0.124 0.000 1.038 315 I CB 1.703 39.630 38.000 -0.122 0.000 1.311 315 I HN 0.775 nan 8.210 nan 0.000 0.426 316 A N 3.877 126.617 122.820 -0.133 0.000 2.477 316 A HA 0.330 4.650 4.320 0.001 0.000 0.246 316 A C 1.293 178.819 177.584 -0.096 0.000 1.078 316 A CA 0.472 52.444 52.037 -0.110 0.000 0.770 316 A CB 0.268 19.218 19.000 -0.083 0.000 1.011 316 A HN 0.903 nan 8.150 nan 0.000 0.494 317 T N 0.434 114.952 114.554 -0.060 0.000 2.881 317 T HA -0.234 4.116 4.350 0.001 0.000 0.270 317 T C 1.639 176.355 174.700 0.027 0.000 1.068 317 T CA 1.385 63.469 62.100 -0.027 0.000 1.131 317 T CB -0.404 68.468 68.868 0.007 0.000 0.871 317 T HN 0.853 nan 8.240 nan 0.000 0.479 318 R N 1.541 122.066 120.500 0.042 0.000 2.120 318 R HA 0.023 4.364 4.340 0.001 0.000 0.234 318 R C 2.484 178.928 176.300 0.241 0.000 1.123 318 R CA 1.498 57.699 56.100 0.168 0.000 0.975 318 R CB -0.365 30.049 30.300 0.190 0.000 0.866 318 R HN 0.414 nan 8.270 nan 0.000 0.446 319 K N 0.609 120.973 120.400 -0.059 0.000 2.116 319 K HA 0.054 4.374 4.320 0.001 0.000 0.203 319 K C 2.176 178.688 176.600 -0.146 0.000 1.052 319 K CA 0.913 56.921 56.287 -0.464 0.000 0.952 319 K CB -0.091 31.890 32.500 -0.865 0.000 0.729 319 K HN 0.257 nan 8.250 nan 0.000 0.446 320 A N 0.613 123.402 122.820 -0.051 0.000 1.933 320 A HA -0.211 4.109 4.320 0.001 0.000 0.218 320 A C 2.013 179.655 177.584 0.096 0.000 1.175 320 A CA 1.465 53.529 52.037 0.045 0.000 0.628 320 A CB -0.899 18.065 19.000 -0.060 0.000 0.814 320 A HN 0.599 nan 8.150 nan 0.000 0.444 321 Y N 0.913 121.218 120.300 0.008 0.000 2.097 321 Y HA -0.142 4.409 4.550 0.000 0.000 0.282 321 Y C 2.402 178.336 175.900 0.056 0.000 1.152 321 Y CA 1.680 59.793 58.100 0.022 0.000 1.136 321 Y CB -0.928 37.556 38.460 0.041 0.000 0.975 321 Y HN 0.199 nan 8.280 nan 0.000 0.498 322 G N -0.295 108.511 108.800 0.011 0.000 2.446 322 G HA2 -0.293 3.667 3.960 0.001 0.000 0.217 322 G HA3 -0.293 3.667 3.960 0.001 0.000 0.217 322 G C 1.462 176.329 174.900 -0.056 0.000 1.168 322 G CA 1.065 46.148 45.100 -0.028 0.000 0.771 322 G HN 0.553 nan 8.290 nan 0.000 0.551 323 Q N 0.154 119.944 119.800 -0.017 0.000 2.084 323 Q HA 0.018 4.358 4.340 0.001 0.000 0.202 323 Q C 3.015 178.999 176.000 -0.027 0.000 0.978 323 Q CA 1.230 57.029 55.803 -0.007 0.000 0.844 323 Q CB -0.253 28.496 28.738 0.019 0.000 0.898 323 Q HN 0.488 nan 8.270 nan 0.000 0.426 324 A N 0.800 123.590 122.820 -0.050 0.000 1.873 324 A HA -0.160 4.160 4.320 0.001 0.000 0.215 324 A C 2.038 179.526 177.584 -0.159 0.000 1.186 324 A CA 1.006 52.998 52.037 -0.074 0.000 0.616 324 A CB -0.604 18.365 19.000 -0.052 0.000 0.823 324 A HN 0.316 nan 8.150 nan 0.000 0.442 325 L N -0.046 120.986 121.223 -0.318 0.000 2.012 325 L HA -0.107 4.233 4.340 0.001 0.000 0.210 325 L C 2.731 179.627 176.870 0.043 0.000 1.073 325 L CA 2.259 56.890 54.840 -0.348 0.000 0.748 325 L CB -0.919 40.766 42.059 -0.624 0.000 0.891 325 L HN 0.363 nan 8.230 nan 0.000 0.431 326 A N -0.799 122.093 122.820 0.120 0.000 1.908 326 A HA -0.289 4.032 4.320 0.001 0.000 0.218 326 A C 2.468 180.156 177.584 0.174 0.000 1.181 326 A CA 2.083 54.216 52.037 0.160 0.000 0.627 326 A CB -0.645 18.381 19.000 0.042 0.000 0.818 326 A HN 0.503 nan 8.150 nan 0.000 0.445 327 K N -0.916 119.552 120.400 0.112 0.000 2.026 327 K HA -0.134 4.186 4.320 0.001 0.000 0.208 327 K C 1.854 178.518 176.600 0.107 0.000 1.048 327 K CA 1.561 57.934 56.287 0.143 0.000 0.929 327 K CB -0.275 32.247 32.500 0.037 0.000 0.713 327 K HN 0.338 nan 8.250 nan 0.000 0.439 328 L N 0.667 121.897 121.223 0.011 0.000 2.201 328 L HA 0.008 4.348 4.340 0.001 0.000 0.212 328 L C 1.964 178.800 176.870 -0.056 0.000 1.105 328 L CA 1.761 56.584 54.840 -0.029 0.000 0.775 328 L CB -0.659 41.339 42.059 -0.101 0.000 0.913 328 L HN 0.287 nan 8.230 nan 0.000 0.440 329 G N -2.237 106.496 108.800 -0.112 0.000 2.559 329 G HA2 -0.211 3.750 3.960 0.001 0.000 0.216 329 G HA3 -0.211 3.750 3.960 0.001 0.000 0.216 329 G C 1.358 175.880 174.900 -0.631 0.000 1.126 329 G CA 0.444 45.266 45.100 -0.463 0.000 0.778 329 G HN 0.513 nan 8.290 nan 0.000 0.543 330 H N 0.061 119.045 119.070 -0.143 0.000 2.512 330 H HA 0.202 4.758 4.556 0.001 0.000 0.279 330 H C 2.713 178.014 175.328 -0.046 0.000 0.999 330 H CA 0.810 56.841 56.048 -0.028 0.000 1.283 330 H CB 0.214 30.000 29.762 0.040 0.000 1.421 330 H HN 0.402 nan 8.280 nan 0.000 0.554 331 A N 0.232 123.083 122.820 0.052 0.000 1.970 331 A HA 0.033 4.353 4.320 0.001 0.000 0.216 331 A C 1.232 178.815 177.584 -0.002 0.000 1.170 331 A CA 0.708 52.760 52.037 0.025 0.000 0.645 331 A CB 0.217 19.229 19.000 0.019 0.000 0.816 331 A HN 0.206 nan 8.150 nan 0.000 0.447 332 S N -1.683 113.994 115.700 -0.037 0.000 2.546 332 S HA 0.400 4.870 4.470 0.001 0.000 0.272 332 S C -0.382 174.174 174.600 -0.074 0.000 1.140 332 S CA -0.521 57.657 58.200 -0.037 0.000 0.920 332 S CB 1.567 64.758 63.200 -0.015 0.000 1.083 332 S HN 0.160 nan 8.310 nan 0.000 0.476 333 D N 2.340 122.708 120.400 -0.055 0.000 2.310 333 D HA 0.038 4.679 4.640 0.001 0.000 0.212 333 D C 1.689 177.941 176.300 -0.080 0.000 0.965 333 D CA 0.955 54.917 54.000 -0.063 0.000 0.879 333 D CB 0.216 41.002 40.800 -0.024 0.000 0.921 333 D HN 0.551 nan 8.370 nan 0.000 0.510 334 R N -0.369 120.096 120.500 -0.059 0.000 2.236 334 R HA 0.083 4.423 4.340 0.001 0.000 0.208 334 R C 0.408 176.663 176.300 -0.075 0.000 1.036 334 R CA 0.127 56.186 56.100 -0.068 0.000 1.001 334 R CB 0.434 30.720 30.300 -0.024 0.000 0.896 334 R HN 0.119 nan 8.270 nan 0.000 0.464 335 I N 3.422 123.971 120.570 -0.035 0.000 2.452 335 I HA 0.114 4.284 4.170 0.001 0.000 0.287 335 I C 0.512 176.632 176.117 0.005 0.000 1.079 335 I CA -0.146 61.166 61.300 0.021 0.000 1.387 335 I CB -0.055 37.968 38.000 0.038 0.000 1.404 335 I HN 0.117 nan 8.210 nan 0.000 0.522 336 I N 3.284 123.812 120.570 -0.070 0.000 2.892 336 I HA 0.933 5.103 4.170 0.001 0.000 0.306 336 I C -0.660 175.272 176.117 -0.309 0.000 1.078 336 I CA -0.903 60.304 61.300 -0.155 0.000 1.032 336 I CB 2.386 40.267 38.000 -0.198 0.000 1.229 336 I HN 0.499 nan 8.210 nan 0.000 0.435 337 A N 4.948 127.475 122.820 -0.489 0.000 2.356 337 A HA 0.848 5.169 4.320 0.001 0.000 0.310 337 A C -1.252 176.054 177.584 -0.464 0.000 1.075 337 A CA -0.505 51.229 52.037 -0.505 0.000 0.746 337 A CB 1.369 19.849 19.000 -0.866 0.000 1.221 337 A HN 0.615 nan 8.150 nan 0.000 0.443 338 L N 1.636 122.673 121.223 -0.311 0.000 2.354 338 L HA 0.747 5.087 4.340 0.001 0.000 0.269 338 L C -0.258 176.485 176.870 -0.212 0.000 1.005 338 L CA -0.234 54.381 54.840 -0.375 0.000 0.819 338 L CB 2.052 44.007 42.059 -0.174 0.000 1.311 338 L HN 0.743 nan 8.230 nan 0.000 0.423 339 D N 0.329 120.592 120.400 -0.228 0.000 2.736 339 D HA 0.409 5.049 4.640 0.001 0.000 0.223 339 D C -0.759 175.551 176.300 0.018 0.000 1.231 339 D CA -0.462 53.551 54.000 0.022 0.000 0.818 339 D CB 2.853 43.797 40.800 0.240 0.000 1.587 339 D HN 0.645 nan 8.370 nan 0.000 0.463 340 G N 1.657 110.483 108.800 0.043 0.000 3.963 340 G HA2 0.317 4.278 3.960 0.001 0.000 0.315 340 G HA3 0.317 4.278 3.960 0.001 0.000 0.315 340 G C 0.353 175.265 174.900 0.019 0.000 1.254 340 G CA -0.158 44.958 45.100 0.025 0.000 1.395 340 G HN 0.576 nan 8.290 nan 0.000 0.538 341 D N 0.950 121.362 120.400 0.019 0.000 2.911 341 D HA -0.206 4.434 4.640 0.001 0.000 0.227 341 D C 1.373 177.695 176.300 0.036 0.000 1.164 341 D CA 1.937 55.954 54.000 0.028 0.000 0.782 341 D CB -1.040 39.790 40.800 0.049 0.000 1.094 341 D HN 0.578 nan 8.370 nan 0.000 0.425 342 T N -3.186 111.414 114.554 0.077 0.000 3.288 342 T HA 0.169 4.519 4.350 0.001 0.000 0.293 342 T C 1.490 176.261 174.700 0.118 0.000 1.008 342 T CA 0.094 62.262 62.100 0.114 0.000 0.929 342 T CB 0.204 69.187 68.868 0.192 0.000 1.152 342 T HN 0.386 nan 8.240 nan 0.000 0.517 343 K N 2.265 122.729 120.400 0.107 0.000 2.209 343 K HA -0.137 4.183 4.320 0.001 0.000 0.204 343 K C 1.872 178.450 176.600 -0.038 0.000 1.048 343 K CA 1.488 57.839 56.287 0.106 0.000 0.940 343 K CB -0.446 32.124 32.500 0.117 0.000 0.729 343 K HN 0.408 nan 8.250 nan 0.000 0.451 344 N N 0.933 119.580 118.700 -0.088 0.000 2.457 344 N HA -0.058 4.682 4.740 0.001 0.000 0.180 344 N C 0.989 176.256 175.510 -0.406 0.000 1.050 344 N CA 1.067 53.979 53.050 -0.230 0.000 0.906 344 N CB 0.059 38.475 38.487 -0.119 0.000 0.968 344 N HN 0.157 nan 8.380 nan 0.000 0.445 345 S N -0.133 115.453 115.700 -0.190 0.000 2.468 345 S HA -0.030 4.441 4.470 0.001 0.000 0.226 345 S C 1.868 176.429 174.600 -0.066 0.000 1.051 345 S CA 1.019 59.157 58.200 -0.104 0.000 0.943 345 S CB -0.097 63.175 63.200 0.119 0.000 0.810 345 S HN 0.733 nan 8.310 nan 0.000 0.509 346 T N -1.301 113.264 114.554 0.019 0.000 3.081 346 T HA 0.166 4.517 4.350 0.001 0.000 0.255 346 T C 0.574 175.496 174.700 0.370 0.000 1.113 346 T CA 0.142 62.356 62.100 0.190 0.000 1.082 346 T CB -0.602 68.403 68.868 0.230 0.000 0.939 346 T HN 0.223 nan 8.240 nan 0.000 0.506 347 F N 1.226 121.299 119.950 0.205 0.000 2.953 347 F HA -0.277 4.250 4.527 0.001 0.000 0.292 347 F C 1.788 177.691 175.800 0.171 0.000 0.747 347 F CA 0.491 58.591 58.000 0.166 0.000 1.222 347 F CB -2.525 36.559 39.000 0.139 0.000 1.457 347 F HN 0.454 nan 8.300 nan 0.000 0.383 348 S N 0.367 116.268 115.700 0.335 0.000 2.474 348 S HA -0.212 4.259 4.470 0.001 0.000 0.235 348 S C 1.738 176.464 174.600 0.211 0.000 0.997 348 S CA 1.078 59.477 58.200 0.331 0.000 0.949 348 S CB -0.480 62.997 63.200 0.462 0.000 0.766 348 S HN 0.762 nan 8.310 nan 0.000 0.517 349 E N 1.503 121.748 120.200 0.075 0.000 2.267 349 E HA -0.174 4.177 4.350 0.001 0.000 0.197 349 E C 1.867 178.455 176.600 -0.020 0.000 0.998 349 E CA 1.326 57.673 56.400 -0.087 0.000 0.830 349 E CB -0.727 28.929 29.700 -0.073 0.000 0.751 349 E HN 0.667 nan 8.360 nan 0.000 0.491 350 I N 0.283 120.915 120.570 0.102 0.000 2.252 350 I HA -0.202 3.968 4.170 0.001 0.000 0.245 350 I C 2.399 178.542 176.117 0.044 0.000 1.102 350 I CA 1.223 62.569 61.300 0.077 0.000 1.385 350 I CB -0.355 37.714 38.000 0.115 0.000 1.064 350 I HN 0.094 nan 8.210 nan 0.000 0.414 351 F N 1.999 121.939 119.950 -0.017 0.000 2.134 351 F HA -0.261 4.266 4.527 0.000 0.000 0.299 351 F C 2.628 178.426 175.800 -0.004 0.000 1.097 351 F CA 1.772 59.796 58.000 0.040 0.000 1.264 351 F CB -0.122 38.957 39.000 0.132 0.000 1.001 351 F HN -0.152 nan 8.300 nan 0.000 0.479 352 K N 0.750 121.230 120.400 0.133 0.000 2.063 352 K HA -0.290 4.031 4.320 0.001 0.000 0.208 352 K C 2.298 178.809 176.600 -0.149 0.000 1.048 352 K CA 1.868 58.052 56.287 -0.171 0.000 0.928 352 K CB -0.283 31.697 32.500 -0.866 0.000 0.713 352 K HN 0.273 nan 8.250 nan 0.000 0.442 353 K N 0.657 120.962 120.400 -0.159 0.000 2.026 353 K HA -0.169 4.151 4.320 0.001 0.000 0.208 353 K C 1.721 178.194 176.600 -0.211 0.000 1.048 353 K CA 1.881 58.079 56.287 -0.148 0.000 0.929 353 K CB 0.073 32.507 32.500 -0.110 0.000 0.713 353 K HN 0.251 nan 8.250 nan 0.000 0.439 354 E N -1.067 118.912 120.200 -0.367 0.000 2.170 354 E HA -0.066 4.284 4.350 0.001 0.000 0.191 354 E C 0.040 176.139 176.600 -0.835 0.000 0.981 354 E CA 0.600 56.617 56.400 -0.637 0.000 0.830 354 E CB 0.268 29.434 29.700 -0.891 0.000 0.775 354 E HN 0.433 nan 8.360 nan 0.000 0.470 355 H N -0.317 118.497 119.070 -0.427 0.000 2.439 355 H HA 0.153 4.709 4.556 0.001 0.000 0.228 355 H C -2.031 173.243 175.328 -0.090 0.000 1.423 355 H CA -1.610 54.200 56.048 -0.397 0.000 1.386 355 H CB 0.721 29.981 29.762 -0.836 0.000 1.641 355 H HN 0.099 nan 8.280 nan 0.000 0.508 356 P HA -0.166 nan 4.420 nan 0.000 0.218 356 P C 1.252 178.709 177.300 0.261 0.000 1.149 356 P CA 1.152 64.350 63.100 0.163 0.000 0.817 356 P CB 0.375 32.118 31.700 0.072 0.000 0.785 357 D N 0.256 120.789 120.400 0.222 0.000 2.265 357 D HA -0.186 4.455 4.640 0.001 0.000 0.208 357 D C 1.445 178.004 176.300 0.432 0.000 0.977 357 D CA 0.945 55.104 54.000 0.264 0.000 0.871 357 D CB -0.577 40.353 40.800 0.217 0.000 0.925 357 D HN 0.261 nan 8.370 nan 0.000 0.485 358 R N -1.180 119.594 120.500 0.458 0.000 2.546 358 R HA 0.205 4.545 4.340 0.001 0.000 0.320 358 R C -0.495 176.151 176.300 0.576 0.000 1.021 358 R CA -0.516 55.890 56.100 0.511 0.000 1.088 358 R CB 0.307 30.812 30.300 0.342 0.000 1.278 358 R HN 0.060 nan 8.270 nan 0.000 0.557 359 F N 1.361 121.560 119.950 0.415 0.000 2.410 359 F HA 0.441 4.969 4.527 0.001 0.000 0.349 359 F C -0.253 175.636 175.800 0.147 0.000 1.117 359 F CA -0.797 57.367 58.000 0.272 0.000 1.104 359 F CB 0.728 39.903 39.000 0.290 0.000 1.122 359 F HN -0.155 nan 8.300 nan 0.000 0.483 360 I N 5.341 125.567 120.570 -0.574 0.000 2.390 360 I HA 0.174 4.345 4.170 0.001 0.000 0.283 360 I C -0.669 175.109 176.117 -0.565 0.000 1.016 360 I CA -0.897 60.121 61.300 -0.469 0.000 1.151 360 I CB 1.420 39.131 38.000 -0.482 0.000 1.293 360 I HN 0.493 nan 8.210 nan 0.000 0.458 361 E N 4.990 125.082 120.200 -0.180 0.000 2.220 361 E HA 0.104 4.454 4.350 0.001 0.000 0.272 361 E C -0.004 176.531 176.600 -0.109 0.000 1.099 361 E CA 0.001 56.326 56.400 -0.126 0.000 0.907 361 E CB 0.723 30.366 29.700 -0.096 0.000 1.022 361 E HN 0.658 nan 8.360 nan 0.000 0.428 362 C N 4.956 124.217 119.300 -0.066 0.000 2.791 362 C HA 0.245 4.706 4.460 0.001 0.000 0.270 362 C C -0.117 175.039 174.990 0.278 0.000 1.257 362 C CA -0.218 58.930 59.018 0.218 0.000 1.699 362 C CB -2.031 25.805 27.740 0.159 0.000 1.904 362 C HN 0.915 nan 8.230 nan 0.000 0.603 363 Y N -0.629 119.772 120.300 0.168 0.000 2.658 363 Y HA -0.268 4.282 4.550 0.001 0.000 0.455 363 Y C 0.570 176.509 175.900 0.065 0.000 1.562 363 Y CA 0.227 58.393 58.100 0.111 0.000 1.748 363 Y CB -0.933 37.594 38.460 0.111 0.000 1.846 363 Y HN 0.099 nan 8.280 nan 0.000 0.407 364 I N 1.786 122.484 120.570 0.213 0.000 2.213 364 I HA 0.424 4.594 4.170 0.001 0.000 0.295 364 I C 0.300 176.456 176.117 0.064 0.000 1.172 364 I CA 0.756 62.088 61.300 0.054 0.000 1.443 364 I CB -0.524 37.465 38.000 -0.019 0.000 1.491 364 I HN 0.514 nan 8.210 nan 0.000 0.652 365 A N 3.530 126.403 122.820 0.087 0.000 3.277 365 A HA 0.397 4.717 4.320 0.001 0.000 0.281 365 A C 0.487 178.122 177.584 0.086 0.000 1.179 365 A CA -0.497 51.603 52.037 0.106 0.000 0.879 365 A CB 0.221 19.330 19.000 0.181 0.000 1.374 365 A HN 0.471 nan 8.150 nan 0.000 0.590 366 E N 0.197 120.429 120.200 0.054 0.000 2.106 366 E HA -0.186 4.164 4.350 0.001 0.000 0.192 366 E C 1.840 178.503 176.600 0.105 0.000 0.984 366 E CA 1.757 58.201 56.400 0.074 0.000 0.806 366 E CB -0.054 29.681 29.700 0.059 0.000 0.750 366 E HN 0.818 nan 8.360 nan 0.000 0.458 367 Q N 0.179 120.030 119.800 0.084 0.000 2.061 367 Q HA -0.204 4.136 4.340 0.001 0.000 0.204 367 Q C 2.020 178.047 176.000 0.046 0.000 0.984 367 Q CA 1.541 57.387 55.803 0.072 0.000 0.846 367 Q CB -0.232 28.538 28.738 0.053 0.000 0.902 367 Q HN 0.177 nan 8.270 nan 0.000 0.421 368 N N 0.481 119.203 118.700 0.038 0.000 2.120 368 N HA -0.161 4.579 4.740 0.001 0.000 0.188 368 N C 1.641 177.123 175.510 -0.046 0.000 1.024 368 N CA 1.150 54.191 53.050 -0.014 0.000 0.852 368 N CB -0.099 38.396 38.487 0.013 0.000 1.003 368 N HN 0.199 nan 8.380 nan 0.000 0.424 369 M N -0.283 119.330 119.600 0.021 0.000 2.082 369 M HA -0.178 4.302 4.480 0.001 0.000 0.258 369 M C 1.523 177.835 176.300 0.021 0.000 1.069 369 M CA 1.494 56.807 55.300 0.021 0.000 1.102 369 M CB -0.110 32.538 32.600 0.081 0.000 1.336 369 M HN 0.040 nan 8.290 nan 0.000 0.404 370 V N -0.110 119.849 119.914 0.076 0.000 2.343 370 V HA -0.248 3.873 4.120 0.001 0.000 0.247 370 V C 2.353 178.446 176.094 -0.001 0.000 1.051 370 V CA 2.144 64.485 62.300 0.069 0.000 1.036 370 V CB -0.828 31.062 31.823 0.111 0.000 0.654 370 V HN 0.540 nan 8.190 nan 0.000 0.451 371 S N -0.187 115.496 115.700 -0.029 0.000 2.368 371 S HA -0.093 4.378 4.470 0.001 0.000 0.224 371 S C 1.951 176.493 174.600 -0.096 0.000 1.029 371 S CA 1.188 59.352 58.200 -0.060 0.000 0.988 371 S CB -0.250 62.908 63.200 -0.069 0.000 0.838 371 S HN 0.380 nan 8.310 nan 0.000 0.462 372 I N 2.115 122.589 120.570 -0.160 0.000 2.163 372 I HA -0.214 3.956 4.170 0.001 0.000 0.243 372 I C 2.735 178.789 176.117 -0.104 0.000 1.085 372 I CA 1.464 62.633 61.300 -0.217 0.000 1.347 372 I CB -1.732 36.039 38.000 -0.381 0.000 1.044 372 I HN 0.238 nan 8.210 nan 0.000 0.408 373 A N 0.620 123.397 122.820 -0.072 0.000 1.883 373 A HA -0.165 4.155 4.320 0.001 0.000 0.217 373 A C 2.559 180.126 177.584 -0.028 0.000 1.186 373 A CA 2.010 54.024 52.037 -0.039 0.000 0.624 373 A CB -1.055 17.928 19.000 -0.028 0.000 0.822 373 A HN 0.249 nan 8.150 nan 0.000 0.444 374 V N 0.001 119.896 119.914 -0.032 0.000 2.287 374 V HA -0.232 3.889 4.120 0.001 0.000 0.248 374 V C 2.841 178.925 176.094 -0.016 0.000 1.053 374 V CA 2.104 64.388 62.300 -0.027 0.000 1.027 374 V CB -1.540 30.265 31.823 -0.029 0.000 0.646 374 V HN 0.639 nan 8.190 nan 0.000 0.447 375 G N -1.215 107.575 108.800 -0.017 0.000 2.469 375 G HA2 -0.305 3.655 3.960 0.001 0.000 0.219 375 G HA3 -0.305 3.655 3.960 0.001 0.000 0.219 375 G C 1.725 176.653 174.900 0.047 0.000 1.150 375 G CA 1.420 46.524 45.100 0.007 0.000 0.763 375 G HN 0.550 nan 8.290 nan 0.000 0.561 376 C N 0.782 120.118 119.300 0.060 0.000 2.422 376 C HA 0.242 4.703 4.460 0.001 0.000 0.279 376 C C 3.408 178.446 174.990 0.081 0.000 1.305 376 C CA 0.727 59.819 59.018 0.124 0.000 1.757 376 C CB -0.834 26.995 27.740 0.147 0.000 1.962 376 C HN 0.557 nan 8.230 nan 0.000 0.499 377 A N 0.318 123.156 122.820 0.030 0.000 2.169 377 A HA 0.085 4.405 4.320 0.001 0.000 0.212 377 A C 1.237 178.823 177.584 0.004 0.000 1.153 377 A CA 1.003 53.045 52.037 0.008 0.000 0.756 377 A CB -0.789 18.200 19.000 -0.019 0.000 0.813 377 A HN 0.664 nan 8.150 nan 0.000 0.471 378 T N -2.093 112.465 114.554 0.007 0.000 2.940 378 T HA 0.326 4.677 4.350 0.001 0.000 0.309 378 T C 0.510 175.201 174.700 -0.015 0.000 1.056 378 T CA 0.088 62.182 62.100 -0.010 0.000 1.137 378 T CB 0.277 69.137 68.868 -0.014 0.000 0.976 378 T HN 0.542 nan 8.240 nan 0.000 0.547 379 R N 1.485 121.965 120.500 -0.033 0.000 3.758 379 R HA -0.241 4.099 4.340 0.001 0.000 0.299 379 R C 0.269 176.554 176.300 -0.025 0.000 1.182 379 R CA 0.719 56.793 56.100 -0.043 0.000 0.809 379 R CB -2.776 27.481 30.300 -0.072 0.000 1.249 379 R HN 1.040 nan 8.270 nan 0.000 0.497 380 N N -0.958 117.734 118.700 -0.014 0.000 2.708 380 N HA -0.253 4.487 4.740 0.001 0.000 0.249 380 N C 0.753 176.267 175.510 0.007 0.000 1.097 380 N CA 0.813 53.860 53.050 -0.005 0.000 0.710 380 N CB -0.275 38.207 38.487 -0.008 0.000 1.032 380 N HN 0.319 nan 8.380 nan 0.000 0.551 381 R N -0.271 120.243 120.500 0.024 0.000 2.093 381 R HA 0.069 4.409 4.340 0.001 0.000 0.224 381 R C 1.467 177.787 176.300 0.035 0.000 1.101 381 R CA 1.825 57.956 56.100 0.051 0.000 0.979 381 R CB -0.484 29.879 30.300 0.105 0.000 0.877 381 R HN 0.612 nan 8.270 nan 0.000 0.441 382 T N -3.714 110.852 114.554 0.020 0.000 2.838 382 T HA 0.562 4.912 4.350 0.001 0.000 0.292 382 T C -0.576 174.115 174.700 -0.016 0.000 1.113 382 T CA -0.821 61.262 62.100 -0.027 0.000 1.008 382 T CB 2.302 71.124 68.868 -0.076 0.000 1.259 382 T HN -0.214 nan 8.240 nan 0.000 0.520 383 V N 2.639 122.544 119.914 -0.015 0.000 2.327 383 V HA 0.454 4.575 4.120 0.001 0.000 0.272 383 V C -2.630 173.488 176.094 0.040 0.000 1.019 383 V CA -1.626 60.680 62.300 0.011 0.000 0.814 383 V CB 0.808 32.671 31.823 0.066 0.000 1.040 383 V HN 0.765 nan 8.190 nan 0.000 0.440 384 P HA 0.508 nan 4.420 nan 0.000 0.288 384 P C -1.013 176.232 177.300 -0.092 0.000 1.267 384 P CA -0.442 62.652 63.100 -0.010 0.000 0.815 384 P CB 0.827 32.502 31.700 -0.042 0.000 0.989 385 F N 1.778 121.679 119.950 -0.082 0.000 2.403 385 F HA 0.311 4.838 4.527 0.000 0.000 0.355 385 F C 0.683 176.491 175.800 0.013 0.000 1.119 385 F CA -0.521 57.474 58.000 -0.009 0.000 1.007 385 F CB 0.827 39.838 39.000 0.018 0.000 1.194 385 F HN 0.366 nan 8.300 nan 0.000 0.443 386 C N 1.485 120.890 119.300 0.176 0.000 2.366 386 C HA 0.937 5.397 4.460 0.001 0.000 0.345 386 C C 0.002 175.210 174.990 0.363 0.000 1.209 386 C CA -0.781 58.367 59.018 0.217 0.000 2.050 386 C CB 0.535 28.395 27.740 0.200 0.000 2.359 386 C HN 0.857 nan 8.230 nan 0.000 0.527 387 S N 1.520 117.407 115.700 0.311 0.000 2.549 387 S HA 0.882 5.353 4.470 0.001 0.000 0.280 387 S C -0.725 173.949 174.600 0.123 0.000 1.109 387 S CA -0.181 58.187 58.200 0.281 0.000 0.905 387 S CB 1.872 65.235 63.200 0.272 0.000 1.081 387 S HN 1.503 nan 8.310 nan 0.000 0.477 388 T N 0.342 114.891 114.554 -0.009 0.000 2.658 388 T HA 0.555 4.905 4.350 0.001 0.000 0.306 388 T C -1.692 173.068 174.700 0.100 0.000 1.544 388 T CA -0.636 61.464 62.100 0.001 0.000 0.991 388 T CB -0.007 68.752 68.868 -0.181 0.000 1.774 388 T HN 0.438 nan 8.240 nan 0.000 0.479 389 F N 2.016 121.882 119.950 -0.141 0.000 2.529 389 F HA 0.495 5.022 4.527 0.001 0.000 0.365 389 F C 1.827 177.481 175.800 -0.244 0.000 1.102 389 F CA -0.300 57.562 58.000 -0.231 0.000 1.271 389 F CB 0.139 38.825 39.000 -0.523 0.000 1.120 389 F HN 0.774 nan 8.300 nan 0.000 0.579 390 A N 3.414 126.300 122.820 0.110 0.000 1.997 390 A HA -0.174 4.147 4.320 0.001 0.000 0.221 390 A C 2.281 179.913 177.584 0.081 0.000 1.172 390 A CA 2.010 54.206 52.037 0.265 0.000 0.645 390 A CB -1.126 18.080 19.000 0.343 0.000 0.813 390 A HN 0.849 nan 8.150 nan 0.000 0.454 391 A N -1.122 121.599 122.820 -0.164 0.000 1.972 391 A HA 0.013 4.333 4.320 0.001 0.000 0.219 391 A C 1.692 179.159 177.584 -0.195 0.000 1.169 391 A CA 1.563 53.435 52.037 -0.275 0.000 0.635 391 A CB -0.664 18.048 19.000 -0.480 0.000 0.810 391 A HN 0.512 nan 8.150 nan 0.000 0.446 392 F N -1.981 117.963 119.950 -0.010 0.000 2.780 392 F HA 0.196 4.723 4.527 0.001 0.000 0.299 392 F C 1.401 177.154 175.800 -0.077 0.000 1.146 392 F CA -0.712 57.237 58.000 -0.086 0.000 1.428 392 F CB -0.857 38.041 39.000 -0.171 0.000 1.115 392 F HN 0.149 nan 8.300 nan 0.000 0.583 393 F N 0.972 121.025 119.950 0.172 0.000 2.333 393 F HA -0.168 4.360 4.527 0.000 0.000 0.300 393 F C 2.687 178.485 175.800 -0.003 0.000 1.083 393 F CA 1.413 59.476 58.000 0.105 0.000 1.395 393 F CB -1.534 37.556 39.000 0.150 0.000 1.056 393 F HN 0.064 nan 8.300 nan 0.000 0.529 394 T N -2.161 112.468 114.554 0.124 0.000 2.881 394 T HA -0.249 4.101 4.350 0.001 0.000 0.270 394 T C 2.091 176.860 174.700 0.115 0.000 1.068 394 T CA 1.160 63.280 62.100 0.033 0.000 1.131 394 T CB -0.357 68.511 68.868 -0.000 0.000 0.871 394 T HN 0.051 nan 8.240 nan 0.000 0.479 395 R N 2.045 122.633 120.500 0.147 0.000 2.193 395 R HA 0.251 4.591 4.340 0.001 0.000 0.229 395 R C 1.851 178.230 176.300 0.132 0.000 1.110 395 R CA 1.111 57.285 56.100 0.125 0.000 0.988 395 R CB -0.742 29.622 30.300 0.106 0.000 0.871 395 R HN 0.542 nan 8.270 nan 0.000 0.458 396 A N -0.982 121.946 122.820 0.180 0.000 2.574 396 A HA 0.182 4.503 4.320 0.001 0.000 0.283 396 A C 0.942 178.628 177.584 0.170 0.000 1.270 396 A CA -0.523 51.618 52.037 0.173 0.000 0.945 396 A CB -0.582 18.562 19.000 0.241 0.000 1.127 396 A HN 0.336 nan 8.150 nan 0.000 0.522 397 F N 1.214 121.139 119.950 -0.042 0.000 2.171 397 F HA -0.127 4.401 4.527 0.001 0.000 0.300 397 F C 1.661 177.400 175.800 -0.100 0.000 1.090 397 F CA 1.862 59.787 58.000 -0.124 0.000 1.293 397 F CB -0.212 38.704 39.000 -0.140 0.000 1.013 397 F HN 0.420 nan 8.300 nan 0.000 0.486 398 D N -0.323 120.018 120.400 -0.097 0.000 2.144 398 D HA -0.160 4.480 4.640 0.001 0.000 0.200 398 D C 2.003 178.229 176.300 -0.123 0.000 0.978 398 D CA 1.058 54.935 54.000 -0.204 0.000 0.833 398 D CB -0.035 40.684 40.800 -0.135 0.000 0.961 398 D HN 0.260 nan 8.370 nan 0.000 0.470 399 Q N -0.077 119.699 119.800 -0.041 0.000 2.084 399 Q HA -0.015 4.325 4.340 0.001 0.000 0.202 399 Q C 2.346 178.334 176.000 -0.020 0.000 0.978 399 Q CA 0.939 56.729 55.803 -0.022 0.000 0.844 399 Q CB -0.191 28.557 28.738 0.016 0.000 0.898 399 Q HN 0.423 nan 8.270 nan 0.000 0.426 400 I N -0.160 120.412 120.570 0.004 0.000 2.252 400 I HA -0.270 3.900 4.170 0.001 0.000 0.245 400 I C 2.498 178.602 176.117 -0.023 0.000 1.102 400 I CA 1.031 62.339 61.300 0.013 0.000 1.385 400 I CB -0.240 37.778 38.000 0.030 0.000 1.064 400 I HN 0.156 nan 8.210 nan 0.000 0.414 401 R N 0.707 121.145 120.500 -0.104 0.000 2.073 401 R HA -0.187 4.153 4.340 0.001 0.000 0.234 401 R C 2.340 178.572 176.300 -0.114 0.000 1.134 401 R CA 1.547 57.545 56.100 -0.169 0.000 0.952 401 R CB -0.028 30.048 30.300 -0.373 0.000 0.850 401 R HN 0.181 nan 8.270 nan 0.000 0.433 402 M N 0.147 119.683 119.600 -0.107 0.000 2.229 402 M HA -0.031 4.450 4.480 0.001 0.000 0.264 402 M C 2.367 178.637 176.300 -0.051 0.000 1.063 402 M CA 1.370 56.624 55.300 -0.078 0.000 1.114 402 M CB -1.015 31.540 32.600 -0.074 0.000 1.387 402 M HN 0.284 nan 8.290 nan 0.000 0.420 403 A N 0.480 123.276 122.820 -0.040 0.000 1.917 403 A HA -0.093 4.227 4.320 0.001 0.000 0.219 403 A C 2.443 180.013 177.584 -0.024 0.000 1.182 403 A CA 2.348 54.369 52.037 -0.027 0.000 0.633 403 A CB -0.898 18.093 19.000 -0.015 0.000 0.819 403 A HN 0.478 nan 8.150 nan 0.000 0.448 404 A N -0.238 122.569 122.820 -0.022 0.000 1.898 404 A HA -0.020 4.301 4.320 0.001 0.000 0.216 404 A C 2.093 179.663 177.584 -0.024 0.000 1.181 404 A CA 1.402 53.429 52.037 -0.016 0.000 0.620 404 A CB -0.580 18.415 19.000 -0.009 0.000 0.819 404 A HN 0.503 nan 8.150 nan 0.000 0.442 405 I N 0.176 120.726 120.570 -0.034 0.000 2.361 405 I HA -0.183 3.987 4.170 0.001 0.000 0.251 405 I C 1.786 177.887 176.117 -0.026 0.000 1.133 405 I CA 1.312 62.593 61.300 -0.031 0.000 1.413 405 I CB -0.184 37.792 38.000 -0.041 0.000 1.073 405 I HN 0.168 nan 8.210 nan 0.000 0.424 406 S N 0.237 115.920 115.700 -0.028 0.000 2.650 406 S HA -0.007 4.463 4.470 0.001 0.000 0.219 406 S C 0.414 174.996 174.600 -0.029 0.000 0.960 406 S CA 0.053 58.236 58.200 -0.028 0.000 0.925 406 S CB -0.391 62.792 63.200 -0.029 0.000 0.775 406 S HN 0.429 nan 8.310 nan 0.000 0.525 407 E N 1.137 121.321 120.200 -0.026 0.000 2.360 407 E HA -0.172 4.178 4.350 0.001 0.000 0.238 407 E C -0.174 176.411 176.600 -0.025 0.000 1.186 407 E CA 0.224 56.609 56.400 -0.024 0.000 0.719 407 E CB -1.709 27.975 29.700 -0.028 0.000 1.236 407 E HN 0.346 nan 8.360 nan 0.000 0.386 408 S N 0.457 116.142 115.700 -0.025 0.000 2.584 408 S HA 0.236 4.707 4.470 0.001 0.000 0.273 408 S C 0.081 174.662 174.600 -0.030 0.000 1.311 408 S CA -0.698 57.485 58.200 -0.028 0.000 1.034 408 S CB 0.599 63.781 63.200 -0.029 0.000 0.939 408 S HN 0.232 nan 8.310 nan 0.000 0.513 409 N N 4.074 122.751 118.700 -0.037 0.000 2.699 409 N HA 0.354 5.094 4.740 0.001 0.000 0.232 409 N C -0.502 174.960 175.510 -0.081 0.000 1.027 409 N CA -0.216 52.805 53.050 -0.049 0.000 0.920 409 N CB 0.341 38.805 38.487 -0.038 0.000 1.148 409 N HN 0.650 nan 8.380 nan 0.000 0.509 410 I N -1.423 119.086 120.570 -0.101 0.000 3.002 410 I HA 0.596 4.767 4.170 0.001 0.000 0.310 410 I C -0.779 175.201 176.117 -0.228 0.000 1.087 410 I CA -1.002 60.206 61.300 -0.152 0.000 1.017 410 I CB 2.285 40.226 38.000 -0.099 0.000 1.226 410 I HN -0.078 nan 8.210 nan 0.000 0.443 411 N N 3.776 122.253 118.700 -0.371 0.000 2.346 411 N HA 0.615 5.355 4.740 0.001 0.000 0.289 411 N C -1.564 173.762 175.510 -0.307 0.000 1.027 411 N CA -0.385 52.365 53.050 -0.500 0.000 0.864 411 N CB 2.683 40.404 38.487 -1.276 0.000 1.370 411 N HN 0.440 nan 8.380 nan 0.000 0.481 412 L N 1.061 122.159 121.223 -0.208 0.000 2.362 412 L HA 0.504 4.844 4.340 0.001 0.000 0.275 412 L C -0.283 176.539 176.870 -0.080 0.000 0.998 412 L CA -0.652 54.103 54.840 -0.141 0.000 0.820 412 L CB 1.855 43.640 42.059 -0.456 0.000 1.270 412 L HN 0.534 nan 8.230 nan 0.000 0.415 413 C N 2.422 121.758 119.300 0.061 0.000 2.316 413 C HA 0.858 5.319 4.460 0.001 0.000 0.324 413 C C 0.470 175.542 174.990 0.137 0.000 1.226 413 C CA -0.420 58.477 59.018 -0.201 0.000 1.450 413 C CB -0.221 27.047 27.740 -0.787 0.000 2.123 413 C HN 0.931 nan 8.230 nan 0.000 0.454 414 G N 5.165 114.073 108.800 0.181 0.000 2.415 414 G HA2 0.530 4.490 3.960 0.001 0.000 0.317 414 G HA3 0.530 4.490 3.960 0.001 0.000 0.317 414 G C 0.018 174.966 174.900 0.080 0.000 1.152 414 G CA 0.042 45.398 45.100 0.427 0.000 0.956 414 G HN 1.121 nan 8.290 nan 0.000 0.458 415 S N 1.511 117.231 115.700 0.033 0.000 2.686 415 S HA 0.400 4.870 4.470 0.001 0.000 0.270 415 S C 0.451 175.045 174.600 -0.011 0.000 1.194 415 S CA -0.311 57.886 58.200 -0.005 0.000 0.990 415 S CB 0.535 63.781 63.200 0.075 0.000 1.029 415 S HN 0.834 nan 8.310 nan 0.000 0.560 416 H N -1.728 117.166 119.070 -0.294 0.000 2.826 416 H HA -0.135 4.422 4.556 0.001 0.000 0.306 416 H C 0.447 175.667 175.328 -0.179 0.000 1.235 416 H CA 0.334 56.192 56.048 -0.316 0.000 1.150 416 H CB -2.762 26.605 29.762 -0.659 0.000 1.409 416 H HN 0.991 nan 8.280 nan 0.000 0.420 417 C N -0.907 118.356 119.300 -0.061 0.000 2.601 417 C HA 0.731 5.192 4.460 0.001 0.000 0.409 417 C C 1.639 176.594 174.990 -0.058 0.000 1.293 417 C CA 0.420 59.403 59.018 -0.058 0.000 2.101 417 C CB 0.452 28.134 27.740 -0.097 0.000 2.639 417 C HN 1.442 nan 8.230 nan 0.000 0.592 418 G N 2.259 111.005 108.800 -0.090 0.000 2.782 418 G HA2 -0.005 3.955 3.960 0.001 0.000 0.228 418 G HA3 -0.005 3.955 3.960 0.001 0.000 0.228 418 G C 0.262 175.100 174.900 -0.104 0.000 1.372 418 G CA 0.344 45.379 45.100 -0.109 0.000 0.862 418 G HN 2.358 nan 8.290 nan 0.000 0.547 419 V N -1.553 118.295 119.914 -0.111 0.000 2.913 419 V HA 0.071 4.191 4.120 0.001 0.000 0.260 419 V C 2.795 178.891 176.094 0.004 0.000 1.098 419 V CA 2.865 65.127 62.300 -0.063 0.000 1.121 419 V CB -0.487 31.308 31.823 -0.046 0.000 0.714 419 V HN 2.275 nan 8.190 nan 0.000 0.487 420 S N 1.857 117.557 115.700 0.001 0.000 2.537 420 S HA -0.123 4.348 4.470 0.001 0.000 0.240 420 S C 1.856 176.445 174.600 -0.018 0.000 0.981 420 S CA 1.324 59.527 58.200 0.005 0.000 0.948 420 S CB -1.159 62.043 63.200 0.003 0.000 0.759 420 S HN 0.942 nan 8.310 nan 0.000 0.531 421 I N -1.401 119.154 120.570 -0.026 0.000 2.614 421 I HA 0.262 4.432 4.170 0.001 0.000 0.258 421 I C 1.738 177.870 176.117 0.024 0.000 1.189 421 I CA 0.707 61.992 61.300 -0.025 0.000 1.462 421 I CB -1.152 36.862 38.000 0.023 0.000 1.092 421 I HN 0.470 nan 8.210 nan 0.000 0.442 422 G N 1.772 110.596 108.800 0.041 0.000 2.728 422 G HA2 -0.366 3.595 3.960 0.001 0.000 0.269 422 G HA3 -0.366 3.595 3.960 0.001 0.000 0.269 422 G C 0.540 175.484 174.900 0.073 0.000 1.334 422 G CA 0.501 45.635 45.100 0.057 0.000 0.974 422 G HN 0.429 nan 8.290 nan 0.000 0.550 423 E N 0.969 121.213 120.200 0.074 0.000 2.216 423 E HA 0.131 4.482 4.350 0.001 0.000 0.192 423 E C 1.954 178.605 176.600 0.086 0.000 0.988 423 E CA 1.049 57.495 56.400 0.075 0.000 0.834 423 E CB -0.135 29.606 29.700 0.067 0.000 0.772 423 E HN 0.442 nan 8.360 nan 0.000 0.479 424 D N -0.077 120.386 120.400 0.105 0.000 2.218 424 D HA -0.012 4.628 4.640 0.001 0.000 0.204 424 D C 1.028 177.388 176.300 0.100 0.000 0.976 424 D CA 1.378 55.449 54.000 0.117 0.000 0.853 424 D CB -0.164 40.738 40.800 0.171 0.000 0.939 424 D HN 0.237 nan 8.370 nan 0.000 0.481 425 G N -0.221 108.633 108.800 0.091 0.000 2.698 425 G HA2 -0.189 3.772 3.960 0.001 0.000 0.225 425 G HA3 -0.189 3.772 3.960 0.001 0.000 0.225 425 G C -1.996 172.942 174.900 0.062 0.000 1.345 425 G CA -0.136 45.010 45.100 0.077 0.000 0.871 425 G HN -0.014 nan 8.290 nan 0.000 0.540 426 P HA -0.030 nan 4.420 nan 0.000 0.225 426 P C 2.016 179.336 177.300 0.033 0.000 1.156 426 P CA 2.159 65.272 63.100 0.022 0.000 0.787 426 P CB -0.246 31.472 31.700 0.031 0.000 0.802 427 S N -0.556 115.183 115.700 0.065 0.000 2.440 427 S HA -0.164 4.306 4.470 0.001 0.000 0.238 427 S C 1.878 176.534 174.600 0.094 0.000 1.010 427 S CA 1.081 59.338 58.200 0.095 0.000 0.972 427 S CB -0.875 62.394 63.200 0.116 0.000 0.774 427 S HN 0.102 nan 8.310 nan 0.000 0.501 428 Q N 0.072 119.913 119.800 0.069 0.000 2.319 428 Q HA 0.434 4.774 4.340 0.001 0.000 0.209 428 Q C -0.005 175.989 176.000 -0.011 0.000 0.884 428 Q CA 0.207 56.037 55.803 0.045 0.000 0.938 428 Q CB 0.155 29.028 28.738 0.226 0.000 1.098 428 Q HN 0.601 nan 8.270 nan 0.000 0.517 429 M N 0.689 120.265 119.600 -0.040 0.000 2.084 429 M HA 0.396 4.876 4.480 0.001 0.000 0.351 429 M C -0.549 175.666 176.300 -0.143 0.000 1.240 429 M CA -0.680 54.571 55.300 -0.082 0.000 1.083 429 M CB 1.382 33.916 32.600 -0.110 0.000 1.593 429 M HN -0.040 nan 8.290 nan 0.000 0.463 430 A N 5.298 128.037 122.820 -0.134 0.000 2.410 430 A HA 0.440 4.760 4.320 0.001 0.000 0.292 430 A C 0.372 177.808 177.584 -0.245 0.000 1.232 430 A CA -0.212 51.740 52.037 -0.142 0.000 0.893 430 A CB -0.320 18.656 19.000 -0.041 0.000 1.131 430 A HN 1.043 nan 8.150 nan 0.000 0.530 431 L N 2.006 122.988 121.223 -0.401 0.000 3.086 431 L HA 0.221 4.561 4.340 0.001 0.000 0.274 431 L C 1.194 177.455 176.870 -1.015 0.000 1.184 431 L CA 0.122 54.474 54.840 -0.813 0.000 1.002 431 L CB 0.377 41.601 42.059 -1.391 0.000 1.383 431 L HN 0.803 nan 8.230 nan 0.000 0.582 432 E N -0.726 119.188 120.200 -0.476 0.000 2.715 432 E HA -0.011 4.339 4.350 0.001 0.000 0.224 432 E C 0.418 177.013 176.600 -0.008 0.000 0.962 432 E CA 0.243 56.510 56.400 -0.223 0.000 1.145 432 E CB 0.084 29.748 29.700 -0.060 0.000 1.083 432 E HN 0.378 nan 8.360 nan 0.000 0.506 433 D N 1.656 122.075 120.400 0.031 0.000 2.183 433 D HA -0.117 4.523 4.640 0.001 0.000 0.203 433 D C 1.964 178.323 176.300 0.100 0.000 0.969 433 D CA 0.318 54.325 54.000 0.013 0.000 0.842 433 D CB -0.339 40.510 40.800 0.082 0.000 0.957 433 D HN 0.212 nan 8.370 nan 0.000 0.484 434 L N 0.733 122.092 121.223 0.225 0.000 2.056 434 L HA -0.071 4.269 4.340 0.001 0.000 0.207 434 L C 2.928 179.794 176.870 -0.008 0.000 1.078 434 L CA 1.174 56.020 54.840 0.010 0.000 0.749 434 L CB -0.588 41.252 42.059 -0.364 0.000 0.901 434 L HN 0.039 nan 8.230 nan 0.000 0.433 435 A N -0.003 122.869 122.820 0.087 0.000 1.883 435 A HA -0.309 4.011 4.320 0.001 0.000 0.217 435 A C 2.359 179.884 177.584 -0.098 0.000 1.186 435 A CA 2.314 54.368 52.037 0.029 0.000 0.624 435 A CB -0.610 18.457 19.000 0.113 0.000 0.822 435 A HN 0.434 nan 8.150 nan 0.000 0.444 436 M N -1.969 117.475 119.600 -0.260 0.000 2.067 436 M HA -0.107 4.374 4.480 0.001 0.000 0.260 436 M C 1.899 177.882 176.300 -0.530 0.000 1.069 436 M CA 2.005 56.911 55.300 -0.656 0.000 1.117 436 M CB -0.206 31.771 32.600 -1.038 0.000 1.334 436 M HN 0.356 nan 8.290 nan 0.000 0.407 437 F N 0.276 120.022 119.950 -0.340 0.000 2.259 437 F HA -0.045 4.483 4.527 0.000 0.000 0.298 437 F C 2.406 178.133 175.800 -0.123 0.000 1.088 437 F CA 1.254 59.095 58.000 -0.265 0.000 1.358 437 F CB -0.466 38.295 39.000 -0.399 0.000 1.040 437 F HN 0.116 nan 8.300 nan 0.000 0.505 438 R N -0.238 120.294 120.500 0.055 0.000 2.152 438 R HA -0.119 4.221 4.340 0.001 0.000 0.232 438 R C 2.204 178.521 176.300 0.027 0.000 1.117 438 R CA 1.457 57.575 56.100 0.030 0.000 0.981 438 R CB -0.559 29.741 30.300 -0.001 0.000 0.870 438 R HN 0.312 nan 8.270 nan 0.000 0.451 439 S N -0.342 115.372 115.700 0.023 0.000 2.603 439 S HA 0.059 4.529 4.470 0.001 0.000 0.220 439 S C 0.721 175.369 174.600 0.081 0.000 0.967 439 S CA -0.291 57.943 58.200 0.057 0.000 0.920 439 S CB 0.281 63.538 63.200 0.095 0.000 0.773 439 S HN -0.094 nan 8.310 nan 0.000 0.529 440 V N 4.288 124.251 119.914 0.082 0.000 2.408 440 V HA 0.248 4.369 4.120 0.001 0.000 0.267 440 V C -1.203 174.921 176.094 0.051 0.000 1.047 440 V CA -1.658 60.691 62.300 0.081 0.000 0.937 440 V CB 0.976 32.864 31.823 0.108 0.000 0.999 440 V HN 0.215 nan 8.190 nan 0.000 0.472 441 P HA -0.130 nan 4.420 nan 0.000 0.216 441 P C 1.265 178.573 177.300 0.013 0.000 1.153 441 P CA 1.555 64.663 63.100 0.015 0.000 0.858 441 P CB -0.011 31.691 31.700 0.003 0.000 0.789 442 T N -3.824 110.739 114.554 0.015 0.000 3.206 442 T HA 0.170 4.521 4.350 0.001 0.000 0.253 442 T C 0.644 175.353 174.700 0.014 0.000 1.042 442 T CA -0.409 61.696 62.100 0.009 0.000 0.931 442 T CB -0.894 67.977 68.868 0.004 0.000 1.029 442 T HN 0.137 nan 8.240 nan 0.000 0.564 443 S N 1.175 116.890 115.700 0.026 0.000 2.565 443 S HA 0.465 4.936 4.470 0.001 0.000 0.274 443 S C -0.185 174.403 174.600 -0.019 0.000 1.309 443 S CA -0.559 57.661 58.200 0.034 0.000 1.043 443 S CB 0.852 64.109 63.200 0.096 0.000 0.939 443 S HN 0.280 nan 8.310 nan 0.000 0.504 444 T N 3.019 117.540 114.554 -0.054 0.000 2.779 444 T HA 0.479 4.830 4.350 0.001 0.000 0.280 444 T C -0.601 173.956 174.700 -0.238 0.000 0.987 444 T CA -0.620 61.363 62.100 -0.195 0.000 0.966 444 T CB 1.160 69.868 68.868 -0.266 0.000 0.933 444 T HN 0.584 nan 8.240 nan 0.000 0.442 445 V N 4.645 124.390 119.914 -0.280 0.000 2.328 445 V HA 0.436 4.556 4.120 0.001 0.000 0.278 445 V C -0.648 175.227 176.094 -0.364 0.000 1.021 445 V CA -0.838 61.355 62.300 -0.178 0.000 0.838 445 V CB 0.053 31.868 31.823 -0.015 0.000 0.999 445 V HN 0.780 nan 8.190 nan 0.000 0.447 446 F N 4.445 124.238 119.950 -0.262 0.000 2.404 446 F HA 0.435 4.962 4.527 0.000 0.000 0.345 446 F C -0.116 175.520 175.800 -0.274 0.000 1.110 446 F CA -0.442 57.324 58.000 -0.389 0.000 1.130 446 F CB 1.049 39.770 39.000 -0.466 0.000 1.129 446 F HN 0.444 nan 8.300 nan 0.000 0.500 447 Y N 6.229 126.418 120.300 -0.185 0.000 2.863 447 Y HA 0.387 4.938 4.550 0.001 0.000 0.348 447 Y C -2.611 173.255 175.900 -0.056 0.000 1.028 447 Y CA -3.992 54.037 58.100 -0.118 0.000 1.213 447 Y CB 0.235 38.654 38.460 -0.069 0.000 1.120 447 Y HN 0.325 nan 8.280 nan 0.000 0.598 448 P HA 0.168 nan 4.420 nan 0.000 0.276 448 P C 0.123 177.516 177.300 0.155 0.000 1.230 448 P CA 0.196 63.393 63.100 0.163 0.000 0.776 448 P CB 1.728 33.477 31.700 0.082 0.000 0.888 449 S N 0.757 116.557 115.700 0.167 0.000 2.503 449 S HA 0.059 4.529 4.470 0.001 0.000 0.215 449 S C 0.483 175.207 174.600 0.207 0.000 1.003 449 S CA 0.294 58.572 58.200 0.130 0.000 0.910 449 S CB -0.189 63.044 63.200 0.054 0.000 0.790 449 S HN 0.732 nan 8.310 nan 0.000 0.514 450 D N -1.540 118.961 120.400 0.167 0.000 2.677 450 D HA 0.394 5.034 4.640 0.001 0.000 0.298 450 D C 1.112 177.368 176.300 -0.073 0.000 1.250 450 D CA -0.287 53.751 54.000 0.064 0.000 0.888 450 D CB 0.353 41.207 40.800 0.090 0.000 1.397 450 D HN -0.088 nan 8.370 nan 0.000 0.461 451 G N -0.444 108.185 108.800 -0.285 0.000 2.469 451 G HA2 -0.191 3.770 3.960 0.001 0.000 0.220 451 G HA3 -0.191 3.770 3.960 0.001 0.000 0.220 451 G C 1.376 175.991 174.900 -0.476 0.000 1.136 451 G CA 1.446 46.183 45.100 -0.605 0.000 0.759 451 G HN 0.311 nan 8.290 nan 0.000 0.562 452 V N 1.437 121.186 119.914 -0.274 0.000 2.270 452 V HA -0.101 4.019 4.120 0.001 0.000 0.245 452 V C 3.321 179.295 176.094 -0.201 0.000 1.043 452 V CA 2.013 64.297 62.300 -0.026 0.000 1.014 452 V CB -0.942 30.971 31.823 0.150 0.000 0.645 452 V HN 0.468 nan 8.190 nan 0.000 0.447 453 A N -0.225 122.425 122.820 -0.283 0.000 1.972 453 A HA -0.221 4.100 4.320 0.001 0.000 0.219 453 A C 2.374 179.855 177.584 -0.171 0.000 1.169 453 A CA 2.454 54.148 52.037 -0.572 0.000 0.635 453 A CB -0.923 17.970 19.000 -0.179 0.000 0.810 453 A HN 0.527 nan 8.150 nan 0.000 0.446 454 T N -0.591 113.914 114.554 -0.082 0.000 2.708 454 T HA -0.151 4.199 4.350 0.001 0.000 0.266 454 T C 1.858 176.540 174.700 -0.031 0.000 1.037 454 T CA 1.530 63.611 62.100 -0.031 0.000 1.146 454 T CB -0.211 68.653 68.868 -0.007 0.000 0.865 454 T HN 0.724 nan 8.240 nan 0.000 0.435 455 E N 0.657 120.847 120.200 -0.017 0.000 2.077 455 E HA -0.173 4.177 4.350 0.001 0.000 0.193 455 E C 2.062 178.638 176.600 -0.041 0.000 0.989 455 E CA 0.888 57.295 56.400 0.011 0.000 0.800 455 E CB 0.122 29.882 29.700 0.100 0.000 0.746 455 E HN 0.148 nan 8.360 nan 0.000 0.452 456 K N 0.103 120.442 120.400 -0.102 0.000 2.148 456 K HA -0.048 4.272 4.320 0.001 0.000 0.204 456 K C 1.995 178.584 176.600 -0.019 0.000 1.050 456 K CA 0.971 57.204 56.287 -0.090 0.000 0.942 456 K CB -0.321 32.007 32.500 -0.288 0.000 0.724 456 K HN 0.180 nan 8.250 nan 0.000 0.446 457 A N 1.135 123.923 122.820 -0.054 0.000 1.902 457 A HA -0.105 4.215 4.320 0.001 0.000 0.217 457 A C 2.493 179.789 177.584 -0.480 0.000 1.181 457 A CA 1.421 53.204 52.037 -0.423 0.000 0.623 457 A CB -0.611 18.085 19.000 -0.507 0.000 0.818 457 A HN 0.045 nan 8.150 nan 0.000 0.443 458 V N -0.021 119.784 119.914 -0.181 0.000 2.295 458 V HA -0.275 3.845 4.120 0.001 0.000 0.246 458 V C 2.528 178.618 176.094 -0.006 0.000 1.049 458 V CA 2.350 64.624 62.300 -0.043 0.000 1.024 458 V CB -0.696 31.079 31.823 -0.080 0.000 0.648 458 V HN 0.764 nan 8.190 nan 0.000 0.447 459 E N -0.036 120.144 120.200 -0.032 0.000 2.051 459 E HA -0.210 4.141 4.350 0.001 0.000 0.192 459 E C 2.271 178.899 176.600 0.046 0.000 0.991 459 E CA 1.371 57.781 56.400 0.015 0.000 0.799 459 E CB -0.131 29.578 29.700 0.015 0.000 0.748 459 E HN 0.542 nan 8.360 nan 0.000 0.449 460 L N 0.416 121.654 121.223 0.025 0.000 2.046 460 L HA -0.188 4.152 4.340 0.001 0.000 0.208 460 L C 2.662 179.591 176.870 0.099 0.000 1.077 460 L CA 1.156 56.056 54.840 0.100 0.000 0.747 460 L CB -0.447 41.748 42.059 0.228 0.000 0.896 460 L HN 0.224 nan 8.230 nan 0.000 0.432 461 A N -0.131 122.653 122.820 -0.061 0.000 1.940 461 A HA -0.186 4.134 4.320 0.001 0.000 0.219 461 A C 2.485 180.107 177.584 0.064 0.000 1.176 461 A CA 1.726 53.769 52.037 0.010 0.000 0.631 461 A CB -0.667 18.253 19.000 -0.133 0.000 0.814 461 A HN 0.423 nan 8.150 nan 0.000 0.446 462 A N -0.147 122.775 122.820 0.170 0.000 1.969 462 A HA -0.108 4.213 4.320 0.001 0.000 0.218 462 A C 1.625 179.267 177.584 0.097 0.000 1.169 462 A CA 1.445 53.597 52.037 0.192 0.000 0.635 462 A CB -0.337 18.829 19.000 0.277 0.000 0.810 462 A HN 0.551 nan 8.150 nan 0.000 0.445 463 N N -0.388 118.367 118.700 0.092 0.000 2.230 463 N HA 0.045 4.785 4.740 0.001 0.000 0.202 463 N C -0.529 175.026 175.510 0.075 0.000 1.119 463 N CA 0.282 53.377 53.050 0.074 0.000 0.851 463 N CB 0.520 39.051 38.487 0.075 0.000 0.990 463 N HN 0.231 nan 8.380 nan 0.000 0.497 464 T N 1.658 116.264 114.554 0.088 0.000 2.795 464 T HA 0.216 4.566 4.350 0.001 0.000 0.282 464 T C 0.450 175.179 174.700 0.047 0.000 0.980 464 T CA -0.545 61.608 62.100 0.089 0.000 1.012 464 T CB 1.812 70.772 68.868 0.154 0.000 0.936 464 T HN -0.182 nan 8.240 nan 0.000 0.457 465 K N 2.281 122.701 120.400 0.034 0.000 2.382 465 K HA 0.492 4.812 4.320 0.001 0.000 0.275 465 K C 0.989 177.595 176.600 0.010 0.000 1.009 465 K CA 0.448 56.743 56.287 0.014 0.000 0.970 465 K CB 0.645 33.151 32.500 0.010 0.000 0.934 465 K HN 1.015 nan 8.250 nan 0.000 0.479 466 G N 1.690 110.488 108.800 -0.004 0.000 2.500 466 G HA2 -0.189 3.772 3.960 0.001 0.000 0.209 466 G HA3 -0.189 3.772 3.960 0.001 0.000 0.209 466 G C -0.737 174.157 174.900 -0.010 0.000 1.283 466 G CA -0.898 44.199 45.100 -0.005 0.000 0.960 466 G HN 0.416 nan 8.290 nan 0.000 0.528 467 I N 0.808 121.380 120.570 0.002 0.000 2.312 467 I HA 0.377 4.547 4.170 0.001 0.000 0.291 467 I C 0.478 176.600 176.117 0.008 0.000 1.031 467 I CA -0.201 61.101 61.300 0.003 0.000 1.293 467 I CB 0.130 38.160 38.000 0.049 0.000 1.403 467 I HN 0.572 nan 8.210 nan 0.000 0.484 468 C N 7.145 126.430 119.300 -0.024 0.000 2.351 468 C HA 0.500 4.961 4.460 0.001 0.000 0.326 468 C C -0.004 174.954 174.990 -0.053 0.000 1.272 468 C CA -0.651 58.385 59.018 0.029 0.000 1.650 468 C CB 0.931 28.744 27.740 0.122 0.000 2.257 468 C HN 0.604 nan 8.230 nan 0.000 0.505 469 F N 4.160 123.936 119.950 -0.289 0.000 2.458 469 F HA 0.758 5.285 4.527 0.001 0.000 0.336 469 F C -0.593 175.060 175.800 -0.244 0.000 1.114 469 F CA -1.340 56.314 58.000 -0.577 0.000 0.987 469 F CB 0.611 38.837 39.000 -1.289 0.000 1.130 469 F HN 0.480 nan 8.300 nan 0.000 0.458 470 I N 6.709 126.752 120.570 -0.878 0.000 2.355 470 I HA 0.397 4.567 4.170 0.001 0.000 0.288 470 I C -0.259 175.151 176.117 -1.178 0.000 0.999 470 I CA -0.755 60.093 61.300 -0.753 0.000 1.163 470 I CB 1.498 39.260 38.000 -0.397 0.000 1.316 470 I HN 0.512 nan 8.210 nan 0.000 0.454 471 R N 5.275 125.167 120.500 -1.013 0.000 2.202 471 R HA 0.415 4.755 4.340 0.001 0.000 0.334 471 R C -0.330 175.740 176.300 -0.383 0.000 1.036 471 R CA -0.156 55.464 56.100 -0.800 0.000 0.878 471 R CB 0.957 30.800 30.300 -0.761 0.000 1.067 471 R HN 0.791 nan 8.270 nan 0.000 0.457 472 T N -0.203 114.190 114.554 -0.268 0.000 2.942 472 T HA 0.602 4.952 4.350 0.001 0.000 0.289 472 T C -0.299 174.355 174.700 -0.077 0.000 1.044 472 T CA -0.721 61.307 62.100 -0.120 0.000 1.023 472 T CB 1.951 70.751 68.868 -0.114 0.000 1.123 472 T HN 0.358 nan 8.240 nan 0.000 0.512 473 S N -0.365 115.311 115.700 -0.040 0.000 2.568 473 S HA 0.501 4.971 4.470 0.001 0.000 0.293 473 S C 0.846 175.363 174.600 -0.138 0.000 1.089 473 S CA -1.034 57.128 58.200 -0.063 0.000 0.945 473 S CB 2.329 65.545 63.200 0.026 0.000 1.077 473 S HN 0.845 nan 8.310 nan 0.000 0.485 474 R N 1.030 121.388 120.500 -0.238 0.000 2.080 474 R HA 0.108 4.449 4.340 0.001 0.000 0.222 474 R C -1.645 174.564 176.300 -0.151 0.000 1.107 474 R CA 0.302 56.218 56.100 -0.306 0.000 0.980 474 R CB -0.902 29.107 30.300 -0.485 0.000 0.879 474 R HN 0.447 nan 8.270 nan 0.000 0.439 475 P HA 0.060 nan 4.420 nan 0.000 0.275 475 P C -1.293 175.946 177.300 -0.101 0.000 1.228 475 P CA 0.253 63.300 63.100 -0.087 0.000 0.786 475 P CB 0.752 32.409 31.700 -0.072 0.000 0.927 476 E N 1.819 121.961 120.200 -0.097 0.000 2.290 476 E HA 0.189 4.539 4.350 0.001 0.000 0.277 476 E C -0.281 176.215 176.600 -0.173 0.000 1.035 476 E CA 0.062 56.391 56.400 -0.119 0.000 0.873 476 E CB 0.278 29.925 29.700 -0.088 0.000 1.029 476 E HN 0.428 nan 8.360 nan 0.000 0.419 477 N N 0.465 119.016 118.700 -0.248 0.000 2.312 477 N HA 0.428 5.169 4.740 0.001 0.000 0.296 477 N C -1.121 174.188 175.510 -0.334 0.000 1.193 477 N CA -0.813 51.972 53.050 -0.440 0.000 0.773 477 N CB 1.539 39.490 38.487 -0.893 0.000 1.435 477 N HN 0.494 nan 8.380 nan 0.000 0.484 478 A N 1.339 123.976 122.820 -0.304 0.000 2.540 478 A HA 0.105 4.425 4.320 0.001 0.000 0.239 478 A C 0.231 177.789 177.584 -0.043 0.000 1.061 478 A CA -0.001 51.971 52.037 -0.110 0.000 0.758 478 A CB -0.180 18.805 19.000 -0.026 0.000 0.991 478 A HN 0.504 nan 8.150 nan 0.000 0.502 479 I N 3.196 123.739 120.570 -0.044 0.000 2.618 479 I HA -0.037 4.134 4.170 0.001 0.000 0.284 479 I C 1.177 177.286 176.117 -0.014 0.000 1.146 479 I CA 0.699 61.983 61.300 -0.027 0.000 1.425 479 I CB 0.228 38.223 38.000 -0.008 0.000 1.383 479 I HN 0.761 nan 8.210 nan 0.000 0.562 480 I N 2.992 123.520 120.570 -0.069 0.000 4.456 480 I HA 0.192 4.362 4.170 0.001 0.000 0.329 480 I C -0.158 175.821 176.117 -0.229 0.000 1.313 480 I CA -0.222 60.964 61.300 -0.190 0.000 1.205 480 I CB 0.182 37.981 38.000 -0.336 0.000 1.179 480 I HN 0.175 nan 8.210 nan 0.000 0.419 481 Y N 2.873 123.216 120.300 0.072 0.000 2.334 481 Y HA 0.452 5.003 4.550 0.001 0.000 0.328 481 Y C 0.470 176.424 175.900 0.089 0.000 1.130 481 Y CA -1.037 57.122 58.100 0.098 0.000 1.163 481 Y CB 0.418 39.000 38.460 0.203 0.000 1.207 481 Y HN 0.008 nan 8.280 nan 0.000 0.471 482 N N 2.104 120.952 118.700 0.247 0.000 2.453 482 N HA -0.028 4.712 4.740 0.001 0.000 0.253 482 N C 0.760 176.377 175.510 0.179 0.000 1.252 482 N CA 0.047 53.193 53.050 0.161 0.000 0.917 482 N CB 0.534 39.083 38.487 0.103 0.000 1.117 482 N HN 0.626 nan 8.380 nan 0.000 0.442 483 N N 1.211 119.997 118.700 0.143 0.000 2.272 483 N HA -0.159 4.582 4.740 0.001 0.000 0.185 483 N C 0.741 176.313 175.510 0.103 0.000 1.014 483 N CA 0.863 53.994 53.050 0.134 0.000 0.870 483 N CB -0.243 38.301 38.487 0.096 0.000 0.975 483 N HN 0.620 nan 8.380 nan 0.000 0.433 484 N N 0.790 119.536 118.700 0.076 0.000 2.383 484 N HA -0.054 4.686 4.740 0.001 0.000 0.192 484 N C 0.085 175.615 175.510 0.033 0.000 1.141 484 N CA 0.001 53.080 53.050 0.047 0.000 0.851 484 N CB -0.231 38.272 38.487 0.027 0.000 0.976 484 N HN 0.068 nan 8.380 nan 0.000 0.465 485 E N 0.925 121.159 120.200 0.056 0.000 2.414 485 E HA 0.031 4.381 4.350 0.001 0.000 0.263 485 E C -1.172 175.370 176.600 -0.097 0.000 1.000 485 E CA -0.085 56.287 56.400 -0.047 0.000 0.914 485 E CB 0.423 30.102 29.700 -0.035 0.000 0.948 485 E HN 0.254 nan 8.360 nan 0.000 0.444 486 D N 3.335 123.581 120.400 -0.256 0.000 2.317 486 D HA 0.234 4.874 4.640 0.001 0.000 0.234 486 D C -1.285 174.737 176.300 -0.463 0.000 1.112 486 D CA -0.270 53.602 54.000 -0.213 0.000 0.840 486 D CB 0.200 40.912 40.800 -0.147 0.000 1.078 486 D HN 0.253 nan 8.370 nan 0.000 0.486 487 F N 2.556 122.347 119.950 -0.265 0.000 2.480 487 F HA 0.482 5.009 4.527 0.001 0.000 0.329 487 F C 0.344 176.045 175.800 -0.165 0.000 1.091 487 F CA -0.660 57.094 58.000 -0.411 0.000 0.972 487 F CB 1.738 40.300 39.000 -0.729 0.000 1.150 487 F HN 0.129 nan 8.300 nan 0.000 0.467 488 Q N 1.698 121.541 119.800 0.072 0.000 2.379 488 Q HA 0.363 4.703 4.340 0.001 0.000 0.278 488 Q C -1.003 175.194 176.000 0.328 0.000 1.068 488 Q CA -1.017 54.898 55.803 0.186 0.000 0.816 488 Q CB 2.674 31.459 28.738 0.079 0.000 1.387 488 Q HN 0.371 nan 8.270 nan 0.000 0.413 489 V N 1.326 121.429 119.914 0.316 0.000 2.557 489 V HA 0.207 4.328 4.120 0.001 0.000 0.301 489 V C 1.417 177.582 176.094 0.118 0.000 1.026 489 V CA 1.996 64.417 62.300 0.203 0.000 1.137 489 V CB -0.026 31.857 31.823 0.101 0.000 0.917 489 V HN 1.075 nan 8.190 nan 0.000 0.484 490 G N 3.562 112.416 108.800 0.089 0.000 2.176 490 G HA2 -0.254 3.707 3.960 0.001 0.000 0.253 490 G HA3 -0.254 3.707 3.960 0.001 0.000 0.253 490 G C 0.172 175.115 174.900 0.073 0.000 0.979 490 G CA 0.357 45.487 45.100 0.050 0.000 0.641 490 G HN 0.893 nan 8.290 nan 0.000 0.530 491 Q N 0.415 120.288 119.800 0.122 0.000 2.368 491 Q HA 0.741 5.082 4.340 0.001 0.000 0.263 491 Q C 0.407 176.463 176.000 0.093 0.000 1.009 491 Q CA 0.029 55.872 55.803 0.066 0.000 0.818 491 Q CB 1.119 29.860 28.738 0.005 0.000 1.239 491 Q HN 0.850 nan 8.270 nan 0.000 0.464 492 A N 4.052 126.912 122.820 0.067 0.000 2.259 492 A HA 0.593 4.914 4.320 0.001 0.000 0.278 492 A C -0.659 176.930 177.584 0.009 0.000 1.107 492 A CA -0.400 51.686 52.037 0.081 0.000 0.828 492 A CB 0.690 19.729 19.000 0.066 0.000 1.111 492 A HN 0.706 nan 8.150 nan 0.000 0.498 493 K N 0.158 120.582 120.400 0.040 0.000 2.443 493 K HA 0.457 4.777 4.320 0.001 0.000 0.252 493 K C -1.614 175.015 176.600 0.048 0.000 0.933 493 K CA -0.601 55.696 56.287 0.017 0.000 0.792 493 K CB 1.993 34.528 32.500 0.057 0.000 1.185 493 K HN 0.333 nan 8.250 nan 0.000 0.425 494 V N 3.327 123.253 119.914 0.020 0.000 2.385 494 V HA 0.057 4.177 4.120 0.001 0.000 0.269 494 V C 1.264 177.368 176.094 0.016 0.000 1.043 494 V CA -0.297 62.011 62.300 0.013 0.000 0.906 494 V CB 0.997 32.819 31.823 -0.002 0.000 0.995 494 V HN 0.664 nan 8.190 nan 0.000 0.467 495 V N 3.395 123.310 119.914 0.002 0.000 3.660 495 V HA 0.484 4.605 4.120 0.001 0.000 0.276 495 V C 0.080 176.144 176.094 -0.051 0.000 1.317 495 V CA 0.331 62.612 62.300 -0.032 0.000 1.097 495 V CB 0.428 32.191 31.823 -0.099 0.000 0.863 495 V HN 0.522 nan 8.190 nan 0.000 0.438 496 L N 2.122 123.322 121.223 -0.037 0.000 2.505 496 L HA 0.708 5.048 4.340 0.001 0.000 0.266 496 L C -0.932 175.924 176.870 -0.022 0.000 0.954 496 L CA -0.358 54.462 54.840 -0.034 0.000 0.852 496 L CB 1.871 43.905 42.059 -0.041 0.000 1.282 496 L HN 0.534 nan 8.230 nan 0.000 0.403 497 K N 2.367 122.756 120.400 -0.018 0.000 2.536 497 K HA 0.941 5.262 4.320 0.001 0.000 0.269 497 K C -1.456 175.136 176.600 -0.012 0.000 0.965 497 K CA -0.525 55.754 56.287 -0.014 0.000 0.860 497 K CB 2.147 34.640 32.500 -0.012 0.000 1.423 497 K HN 0.560 nan 8.250 nan 0.000 0.438 498 S N -1.000 114.694 115.700 -0.010 0.000 2.625 498 S HA 0.509 4.980 4.470 0.001 0.000 0.271 498 S C 0.473 175.069 174.600 -0.007 0.000 1.161 498 S CA -0.259 57.936 58.200 -0.008 0.000 0.820 498 S CB 1.407 64.602 63.200 -0.008 0.000 1.137 498 S HN 0.878 nan 8.310 nan 0.000 0.470 499 K N -0.404 119.992 120.400 -0.006 0.000 2.439 499 K HA 0.154 4.474 4.320 0.001 0.000 0.197 499 K C 0.406 177.003 176.600 -0.005 0.000 1.041 499 K CA 1.440 57.724 56.287 -0.005 0.000 0.970 499 K CB -0.781 31.716 32.500 -0.005 0.000 0.773 499 K HN 0.731 nan 8.250 nan 0.000 0.479 500 D N 1.417 121.814 120.400 -0.005 0.000 3.010 500 D HA 0.104 4.744 4.640 0.001 0.000 0.347 500 D C -1.240 175.058 176.300 -0.004 0.000 1.340 500 D CA -0.365 53.632 54.000 -0.004 0.000 0.858 500 D CB 0.416 41.214 40.800 -0.004 0.000 1.111 500 D HN 0.318 nan 8.370 nan 0.000 0.482 501 D N 1.038 121.435 120.400 -0.005 0.000 2.308 501 D HA 0.149 4.789 4.640 0.001 0.000 0.251 501 D C 1.348 177.646 176.300 -0.004 0.000 1.127 501 D CA 0.081 54.078 54.000 -0.005 0.000 0.876 501 D CB 1.509 42.305 40.800 -0.006 0.000 1.176 501 D HN 0.265 nan 8.370 nan 0.000 0.446 502 Q N 1.208 121.006 119.800 -0.003 0.000 2.391 502 Q HA 0.326 4.666 4.340 0.001 0.000 0.211 502 Q C 0.537 176.536 176.000 -0.002 0.000 0.908 502 Q CA 0.425 56.226 55.803 -0.002 0.000 0.920 502 Q CB 0.612 29.349 28.738 -0.002 0.000 1.056 502 Q HN 0.373 nan 8.270 nan 0.000 0.523 503 V N -0.007 119.905 119.914 -0.002 0.000 3.012 503 V HA 0.504 4.624 4.120 0.001 0.000 0.307 503 V C -0.707 175.386 176.094 -0.001 0.000 1.166 503 V CA -0.808 61.492 62.300 -0.001 0.000 0.974 503 V CB 2.283 34.106 31.823 0.000 0.000 1.040 503 V HN 0.204 nan 8.190 nan 0.000 0.428 504 T N 2.882 117.437 114.554 0.001 0.000 2.744 504 T HA 0.537 4.888 4.350 0.001 0.000 0.291 504 T C -0.357 174.345 174.700 0.004 0.000 0.957 504 T CA -0.224 61.876 62.100 0.001 0.000 1.002 504 T CB 1.142 70.012 68.868 0.004 0.000 0.919 504 T HN 0.406 nan 8.240 nan 0.000 0.468 505 V N 5.795 125.709 119.914 0.000 0.000 2.347 505 V HA 0.437 4.557 4.120 0.001 0.000 0.280 505 V C 0.031 176.124 176.094 -0.003 0.000 1.021 505 V CA -0.784 61.517 62.300 0.002 0.000 0.847 505 V CB 1.111 32.931 31.823 -0.004 0.000 0.990 505 V HN 0.797 nan 8.190 nan 0.000 0.444 506 I N 4.580 125.154 120.570 0.006 0.000 2.321 506 I HA 0.702 4.872 4.170 0.001 0.000 0.291 506 I C 0.810 176.917 176.117 -0.016 0.000 0.998 506 I CA 0.184 61.483 61.300 -0.001 0.000 1.227 506 I CB 1.439 39.449 38.000 0.016 0.000 1.368 506 I HN 0.733 nan 8.210 nan 0.000 0.466 507 G N 4.160 112.931 108.800 -0.048 0.000 2.818 507 G HA2 0.906 4.866 3.960 0.001 0.000 0.286 507 G HA3 0.906 4.866 3.960 0.001 0.000 0.286 507 G C -1.794 173.011 174.900 -0.159 0.000 1.364 507 G CA -0.697 44.353 45.100 -0.083 0.000 0.938 507 G HN 0.766 nan 8.290 nan 0.000 0.490 508 A N -1.618 121.036 122.820 -0.277 0.000 2.594 508 A HA 0.917 5.238 4.320 0.001 0.000 0.295 508 A C 0.689 177.852 177.584 -0.702 0.000 1.071 508 A CA 0.579 52.267 52.037 -0.582 0.000 0.685 508 A CB 1.005 19.446 19.000 -0.931 0.000 1.285 508 A HN 2.663 nan 8.150 nan 0.000 0.405 509 G N -0.093 108.327 108.800 -0.633 0.000 2.634 509 G HA2 -0.148 3.812 3.960 0.001 0.000 0.309 509 G HA3 -0.148 3.812 3.960 0.001 0.000 0.309 509 G C 1.457 176.374 174.900 0.029 0.000 1.265 509 G CA 2.166 47.150 45.100 -0.192 0.000 0.998 509 G HN 2.307 nan 8.290 nan 0.000 0.551 510 V N -1.089 118.880 119.914 0.091 0.000 2.469 510 V HA -0.055 4.065 4.120 0.001 0.000 0.251 510 V C 2.970 179.113 176.094 0.081 0.000 1.064 510 V CA 3.642 66.009 62.300 0.112 0.000 1.066 510 V CB -1.582 30.283 31.823 0.070 0.000 0.667 510 V HN 1.760 nan 8.190 nan 0.000 0.461 511 T N -2.174 112.390 114.554 0.017 0.000 3.055 511 T HA 0.000 4.351 4.350 0.001 0.000 0.265 511 T C 1.758 176.428 174.700 -0.049 0.000 1.111 511 T CA 1.247 63.345 62.100 -0.003 0.000 1.118 511 T CB -0.165 68.700 68.868 -0.004 0.000 0.909 511 T HN 0.433 nan 8.240 nan 0.000 0.501 512 L N 1.241 122.395 121.223 -0.114 0.000 2.027 512 L HA -0.024 4.316 4.340 0.001 0.000 0.206 512 L C 2.679 179.402 176.870 -0.245 0.000 1.074 512 L CA 1.796 56.513 54.840 -0.206 0.000 0.745 512 L CB -0.742 41.133 42.059 -0.307 0.000 0.898 512 L HN 0.314 nan 8.230 nan 0.000 0.433 513 H N -0.493 118.539 119.070 -0.063 0.000 2.387 513 H HA -0.075 4.481 4.556 0.001 0.000 0.299 513 H C 2.006 177.312 175.328 -0.037 0.000 1.090 513 H CA 1.440 57.456 56.048 -0.054 0.000 1.332 513 H CB 0.067 29.797 29.762 -0.052 0.000 1.386 513 H HN 0.424 nan 8.280 nan 0.000 0.516 514 E N 0.754 121.000 120.200 0.075 0.000 2.153 514 E HA -0.069 4.281 4.350 0.001 0.000 0.194 514 E C 2.356 178.962 176.600 0.011 0.000 0.988 514 E CA 0.747 57.171 56.400 0.040 0.000 0.811 514 E CB -0.132 29.590 29.700 0.038 0.000 0.746 514 E HN 0.431 nan 8.360 nan 0.000 0.466 515 A N 1.002 123.814 122.820 -0.015 0.000 1.897 515 A HA -0.064 4.257 4.320 0.001 0.000 0.215 515 A C 2.370 179.935 177.584 -0.032 0.000 1.181 515 A CA 0.700 52.721 52.037 -0.026 0.000 0.620 515 A CB -0.588 18.386 19.000 -0.044 0.000 0.821 515 A HN 0.154 nan 8.150 nan 0.000 0.443 516 L N -0.604 120.588 121.223 -0.052 0.000 2.017 516 L HA -0.219 4.122 4.340 0.001 0.000 0.208 516 L C 3.122 179.983 176.870 -0.016 0.000 1.073 516 L CA 1.173 55.985 54.840 -0.047 0.000 0.745 516 L CB -0.577 41.437 42.059 -0.075 0.000 0.894 516 L HN 0.440 nan 8.230 nan 0.000 0.432 517 A N -0.021 122.801 122.820 0.002 0.000 1.940 517 A HA -0.206 4.115 4.320 0.001 0.000 0.219 517 A C 2.499 180.085 177.584 0.003 0.000 1.176 517 A CA 1.816 53.858 52.037 0.008 0.000 0.631 517 A CB -0.704 18.307 19.000 0.019 0.000 0.814 517 A HN 0.431 nan 8.150 nan 0.000 0.446 518 A N -0.305 122.516 122.820 0.002 0.000 1.969 518 A HA 0.200 4.520 4.320 0.001 0.000 0.218 518 A C 2.453 180.036 177.584 -0.002 0.000 1.169 518 A CA 1.884 53.922 52.037 0.002 0.000 0.635 518 A CB -0.864 18.138 19.000 0.004 0.000 0.810 518 A HN 1.012 nan 8.150 nan 0.000 0.445 519 A N -0.165 122.650 122.820 -0.008 0.000 1.877 519 A HA -0.181 4.140 4.320 0.001 0.000 0.216 519 A C 1.933 179.512 177.584 -0.008 0.000 1.186 519 A CA 1.656 53.687 52.037 -0.010 0.000 0.620 519 A CB -0.554 18.436 19.000 -0.018 0.000 0.822 519 A HN 0.611 nan 8.150 nan 0.000 0.443 520 E N -0.250 119.945 120.200 -0.007 0.000 2.058 520 E HA -0.194 4.157 4.350 0.001 0.000 0.194 520 E C 1.975 178.574 176.600 -0.002 0.000 0.997 520 E CA 1.380 57.777 56.400 -0.005 0.000 0.801 520 E CB -0.316 29.381 29.700 -0.004 0.000 0.746 520 E HN 0.636 nan 8.360 nan 0.000 0.450 521 L N 0.473 121.696 121.223 -0.000 0.000 2.083 521 L HA -0.207 4.134 4.340 0.001 0.000 0.209 521 L C 2.440 179.311 176.870 0.001 0.000 1.083 521 L CA 0.822 55.663 54.840 0.001 0.000 0.752 521 L CB -0.315 41.746 42.059 0.003 0.000 0.899 521 L HN 0.179 nan 8.230 nan 0.000 0.433 522 L N 0.180 121.403 121.223 -0.000 0.000 2.156 522 L HA -0.167 4.174 4.340 0.001 0.000 0.208 522 L C 3.151 180.020 176.870 -0.002 0.000 1.095 522 L CA 1.295 56.134 54.840 -0.000 0.000 0.770 522 L CB -0.721 41.338 42.059 -0.001 0.000 0.914 522 L HN 0.220 nan 8.230 nan 0.000 0.439 523 K N 0.168 120.566 120.400 -0.003 0.000 2.280 523 K HA -0.149 4.172 4.320 0.001 0.000 0.202 523 K C 1.944 178.542 176.600 -0.002 0.000 1.047 523 K CA 1.048 57.333 56.287 -0.004 0.000 0.942 523 K CB -0.491 32.006 32.500 -0.005 0.000 0.739 523 K HN 0.210 nan 8.250 nan 0.000 0.457 524 K N 0.513 120.912 120.400 -0.002 0.000 2.097 524 K HA -0.123 4.197 4.320 0.001 0.000 0.206 524 K C 1.321 177.920 176.600 -0.001 0.000 1.049 524 K CA 1.591 57.877 56.287 -0.001 0.000 0.933 524 K CB 0.053 32.553 32.500 -0.000 0.000 0.717 524 K HN 0.721 nan 8.250 nan 0.000 0.442 525 E N 0.516 120.716 120.200 -0.000 0.000 2.419 525 E HA 0.005 4.355 4.350 0.001 0.000 0.190 525 E C -0.492 176.108 176.600 -0.001 0.000 1.040 525 E CA -0.178 56.222 56.400 -0.000 0.000 0.900 525 E CB 0.352 30.052 29.700 0.001 0.000 1.054 525 E HN -0.039 nan 8.360 nan 0.000 0.462 526 K N -0.222 120.177 120.400 -0.001 0.000 3.088 526 K HA -0.198 4.122 4.320 0.001 0.000 0.273 526 K C -0.048 176.551 176.600 -0.002 0.000 1.111 526 K CA 1.003 57.288 56.287 -0.002 0.000 0.803 526 K CB -2.704 29.795 32.500 -0.002 0.000 1.226 526 K HN 0.391 nan 8.250 nan 0.000 0.485 527 I N 1.349 121.918 120.570 -0.002 0.000 2.312 527 I HA 0.306 4.476 4.170 0.001 0.000 0.290 527 I C 0.256 176.372 176.117 -0.003 0.000 1.008 527 I CA -0.759 60.540 61.300 -0.002 0.000 1.226 527 I CB 1.236 39.235 38.000 -0.001 0.000 1.371 527 I HN 0.095 nan 8.210 nan 0.000 0.468 528 N N 7.497 126.194 118.700 -0.004 0.000 2.443 528 N HA 0.616 5.356 4.740 0.001 0.000 0.295 528 N C -0.708 174.799 175.510 -0.006 0.000 1.076 528 N CA -0.389 52.657 53.050 -0.006 0.000 0.919 528 N CB 2.077 40.560 38.487 -0.006 0.000 1.176 528 N HN 0.537 nan 8.380 nan 0.000 0.487 529 I N -2.012 118.553 120.570 -0.008 0.000 2.689 529 I HA 0.582 4.752 4.170 0.001 0.000 0.299 529 I C -0.170 175.940 176.117 -0.011 0.000 1.059 529 I CA -1.127 60.169 61.300 -0.008 0.000 1.055 529 I CB 2.448 40.444 38.000 -0.007 0.000 1.243 529 I HN 0.171 nan 8.210 nan 0.000 0.425 530 R N 4.001 124.496 120.500 -0.010 0.000 2.308 530 R HA 0.667 5.007 4.340 0.001 0.000 0.305 530 R C -1.420 174.871 176.300 -0.014 0.000 1.053 530 R CA -0.414 55.679 56.100 -0.011 0.000 0.957 530 R CB 1.422 31.718 30.300 -0.007 0.000 1.022 530 R HN 0.674 nan 8.270 nan 0.000 0.461 531 V N 6.545 126.447 119.914 -0.021 0.000 2.495 531 V HA 0.410 4.530 4.120 0.001 0.000 0.298 531 V C -0.445 175.636 176.094 -0.021 0.000 1.031 531 V CA -0.848 61.435 62.300 -0.028 0.000 0.871 531 V CB 1.549 33.343 31.823 -0.048 0.000 0.988 531 V HN 0.684 nan 8.190 nan 0.000 0.432 532 L N 3.510 124.725 121.223 -0.013 0.000 2.381 532 L HA 0.676 5.016 4.340 0.001 0.000 0.274 532 L C -1.176 175.701 176.870 0.011 0.000 0.988 532 L CA -0.400 54.444 54.840 0.007 0.000 0.824 532 L CB 1.977 44.043 42.059 0.011 0.000 1.263 532 L HN 0.674 nan 8.230 nan 0.000 0.410 533 D N 6.132 126.561 120.400 0.049 0.000 2.329 533 D HA 0.358 4.998 4.640 0.001 0.000 0.232 533 D C -1.932 174.445 176.300 0.127 0.000 1.088 533 D CA -2.180 51.869 54.000 0.080 0.000 0.835 533 D CB 2.071 42.978 40.800 0.180 0.000 1.078 533 D HN 0.254 nan 8.370 nan 0.000 0.495 534 P HA -0.025 nan 4.420 nan 0.000 0.217 534 P C 0.716 178.154 177.300 0.230 0.000 1.150 534 P CA 0.453 63.620 63.100 0.112 0.000 0.832 534 P CB 0.077 31.811 31.700 0.056 0.000 0.787 535 F N -1.450 118.552 119.950 0.088 0.000 2.551 535 F HA -0.299 4.229 4.527 0.001 0.000 0.704 535 F C 0.046 175.913 175.800 0.113 0.000 0.486 535 F CA 2.326 60.415 58.000 0.149 0.000 0.741 535 F CB -2.069 37.073 39.000 0.236 0.000 1.617 535 F HN 0.061 nan 8.300 nan 0.000 0.268 536 T N 0.620 115.131 114.554 -0.072 0.000 2.794 536 T HA 0.619 4.969 4.350 0.001 0.000 0.280 536 T C 1.007 175.644 174.700 -0.106 0.000 0.987 536 T CA -0.273 61.666 62.100 -0.268 0.000 0.993 536 T CB 1.674 70.323 68.868 -0.366 0.000 0.939 536 T HN 0.272 nan 8.240 nan 0.000 0.449 537 I N 0.948 121.457 120.570 -0.102 0.000 2.852 537 I HA 0.250 4.420 4.170 0.001 0.000 0.264 537 I C 1.069 177.150 176.117 -0.061 0.000 1.179 537 I CA 0.883 62.160 61.300 -0.040 0.000 1.480 537 I CB -0.769 37.230 38.000 -0.002 0.000 1.111 537 I HN 0.747 nan 8.210 nan 0.000 0.441 538 K N 2.779 123.114 120.400 -0.108 0.000 2.578 538 K HA 0.365 4.685 4.320 0.001 0.000 0.250 538 K C -2.814 173.690 176.600 -0.161 0.000 0.955 538 K CA -1.600 54.628 56.287 -0.098 0.000 0.825 538 K CB 2.743 35.204 32.500 -0.065 0.000 1.151 538 K HN -0.218 nan 8.250 nan 0.000 0.432 539 P HA 0.110 nan 4.420 nan 0.000 0.274 539 P C -1.041 176.231 177.300 -0.048 0.000 1.237 539 P CA -0.726 62.337 63.100 -0.062 0.000 0.793 539 P CB 0.849 32.524 31.700 -0.042 0.000 0.977 540 L N 1.859 123.069 121.223 -0.022 0.000 2.295 540 L HA 0.310 4.650 4.340 0.001 0.000 0.285 540 L C 0.272 177.146 176.870 0.007 0.000 1.035 540 L CA -0.297 54.540 54.840 -0.005 0.000 0.806 540 L CB 0.408 42.466 42.059 -0.001 0.000 1.214 540 L HN 0.247 nan 8.230 nan 0.000 0.426 541 D N 4.114 124.526 120.400 0.020 0.000 2.540 541 D HA -0.033 4.607 4.640 0.001 0.000 0.237 541 D C 1.366 177.676 176.300 0.017 0.000 1.181 541 D CA 0.330 54.343 54.000 0.021 0.000 1.119 541 D CB 0.206 41.025 40.800 0.031 0.000 1.119 541 D HN 0.561 nan 8.370 nan 0.000 0.498 542 R N 2.831 123.338 120.500 0.013 0.000 2.091 542 R HA -0.166 4.174 4.340 0.001 0.000 0.238 542 R C 1.951 178.258 176.300 0.011 0.000 1.136 542 R CA 1.168 57.275 56.100 0.013 0.000 0.959 542 R CB 0.144 30.451 30.300 0.010 0.000 0.856 542 R HN 0.247 nan 8.270 nan 0.000 0.437 543 K N 0.235 120.640 120.400 0.009 0.000 2.002 543 K HA -0.184 4.137 4.320 0.001 0.000 0.209 543 K C 2.064 178.667 176.600 0.005 0.000 1.048 543 K CA 1.468 57.758 56.287 0.006 0.000 0.930 543 K CB -0.209 32.293 32.500 0.003 0.000 0.714 543 K HN 0.139 nan 8.250 nan 0.000 0.438 544 L N 1.562 122.789 121.223 0.006 0.000 2.141 544 L HA -0.085 4.255 4.340 0.001 0.000 0.209 544 L C 1.934 178.809 176.870 0.008 0.000 1.094 544 L CA 1.284 56.126 54.840 0.004 0.000 0.763 544 L CB -0.199 41.862 42.059 0.003 0.000 0.908 544 L HN 0.235 nan 8.230 nan 0.000 0.437 545 I N -1.777 118.800 120.570 0.012 0.000 2.163 545 I HA -0.285 3.885 4.170 0.001 0.000 0.240 545 I C 2.178 178.302 176.117 0.012 0.000 1.081 545 I CA 0.693 62.001 61.300 0.014 0.000 1.353 545 I CB -0.361 37.651 38.000 0.020 0.000 1.054 545 I HN 0.202 nan 8.210 nan 0.000 0.407 546 L N 0.600 121.829 121.223 0.011 0.000 2.012 546 L HA -0.261 4.079 4.340 0.001 0.000 0.210 546 L C 2.151 179.024 176.870 0.005 0.000 1.073 546 L CA 1.952 56.797 54.840 0.009 0.000 0.748 546 L CB -1.299 40.764 42.059 0.008 0.000 0.891 546 L HN 0.256 nan 8.230 nan 0.000 0.431 547 D N -1.168 119.234 120.400 0.004 0.000 2.117 547 D HA -0.126 4.515 4.640 0.001 0.000 0.197 547 D C 2.297 178.597 176.300 0.001 0.000 0.987 547 D CA 1.361 55.362 54.000 0.001 0.000 0.829 547 D CB -0.056 40.743 40.800 -0.001 0.000 0.961 547 D HN 0.219 nan 8.370 nan 0.000 0.460 548 S N 0.732 116.433 115.700 0.002 0.000 2.348 548 S HA -0.163 4.307 4.470 0.001 0.000 0.221 548 S C 2.184 176.785 174.600 0.002 0.000 1.033 548 S CA 1.241 59.442 58.200 0.001 0.000 1.010 548 S CB -0.440 62.762 63.200 0.003 0.000 0.891 548 S HN 0.385 nan 8.310 nan 0.000 0.442 549 A N 2.352 125.175 122.820 0.004 0.000 1.917 549 A HA -0.190 4.130 4.320 0.001 0.000 0.219 549 A C 2.147 179.733 177.584 0.002 0.000 1.182 549 A CA 1.432 53.472 52.037 0.004 0.000 0.633 549 A CB -0.515 18.489 19.000 0.006 0.000 0.819 549 A HN 0.316 nan 8.150 nan 0.000 0.448 550 R N -0.680 119.821 120.500 0.002 0.000 2.148 550 R HA -0.013 4.327 4.340 0.001 0.000 0.227 550 R C 2.148 178.448 176.300 -0.000 0.000 1.103 550 R CA 1.148 57.249 56.100 0.001 0.000 0.983 550 R CB -0.736 29.564 30.300 0.001 0.000 0.874 550 R HN 0.536 nan 8.270 nan 0.000 0.451 551 A N 0.906 123.725 122.820 -0.001 0.000 2.206 551 A HA -0.045 4.275 4.320 0.001 0.000 0.211 551 A C 1.192 178.775 177.584 -0.002 0.000 1.158 551 A CA 1.212 53.248 52.037 -0.002 0.000 0.761 551 A CB -0.105 18.894 19.000 -0.003 0.000 0.801 551 A HN 0.338 nan 8.150 nan 0.000 0.473 552 T N -4.648 109.905 114.554 -0.001 0.000 3.483 552 T HA 0.498 4.848 4.350 0.001 0.000 0.258 552 T C 0.390 175.090 174.700 -0.001 0.000 1.013 552 T CA 0.842 62.941 62.100 -0.002 0.000 1.078 552 T CB -0.261 68.606 68.868 -0.002 0.000 1.111 552 T HN 1.265 nan 8.240 nan 0.000 0.538 553 K N 0.068 120.467 120.400 -0.001 0.000 2.975 553 K HA -0.094 4.226 4.320 0.001 0.000 0.257 553 K C 1.757 178.356 176.600 -0.001 0.000 1.005 553 K CA 1.559 57.845 56.287 -0.001 0.000 0.738 553 K CB -2.822 29.677 32.500 -0.002 0.000 1.236 553 K HN 2.440 nan 8.250 nan 0.000 0.483 554 G N -1.812 106.987 108.800 -0.001 0.000 2.162 554 G HA2 -0.291 3.669 3.960 0.001 0.000 0.260 554 G HA3 -0.291 3.669 3.960 0.001 0.000 0.260 554 G C 0.125 175.024 174.900 -0.002 0.000 0.976 554 G CA 0.611 45.711 45.100 -0.000 0.000 0.655 554 G HN 1.175 nan 8.290 nan 0.000 0.533 555 R N -0.242 120.257 120.500 -0.003 0.000 2.229 555 R HA 0.662 5.003 4.340 0.001 0.000 0.328 555 R C -0.091 176.207 176.300 -0.003 0.000 1.009 555 R CA -0.419 55.678 56.100 -0.005 0.000 0.864 555 R CB 1.054 31.351 30.300 -0.005 0.000 1.085 555 R HN 0.299 nan 8.270 nan 0.000 0.453 556 I N 3.961 124.528 120.570 -0.005 0.000 2.465 556 I HA 0.299 4.470 4.170 0.001 0.000 0.291 556 I C -0.981 175.135 176.117 -0.002 0.000 1.014 556 I CA -1.103 60.199 61.300 0.003 0.000 1.093 556 I CB 1.975 39.983 38.000 0.014 0.000 1.267 556 I HN 0.304 nan 8.210 nan 0.000 0.431 557 L N 6.613 127.843 121.223 0.013 0.000 2.356 557 L HA 0.659 5.000 4.340 0.001 0.000 0.277 557 L C -0.112 176.791 176.870 0.056 0.000 0.996 557 L CA 0.109 54.964 54.840 0.024 0.000 0.822 557 L CB 1.871 43.942 42.059 0.021 0.000 1.256 557 L HN 0.710 nan 8.230 nan 0.000 0.413 558 T N 2.112 116.734 114.554 0.113 0.000 2.855 558 T HA 0.725 5.075 4.350 0.001 0.000 0.281 558 T C -0.783 173.973 174.700 0.093 0.000 1.007 558 T CA -0.752 61.418 62.100 0.117 0.000 1.009 558 T CB 1.645 70.625 68.868 0.186 0.000 0.983 558 T HN 0.707 nan 8.240 nan 0.000 0.455 559 V N 3.226 123.164 119.914 0.040 0.000 2.569 559 V HA 0.709 4.829 4.120 0.001 0.000 0.301 559 V C -1.443 174.653 176.094 0.003 0.000 1.044 559 V CA -0.548 61.765 62.300 0.022 0.000 0.874 559 V CB 1.423 33.261 31.823 0.025 0.000 1.002 559 V HN 1.209 nan 8.190 nan 0.000 0.424 560 E N 3.443 123.639 120.200 -0.008 0.000 2.308 560 E HA 0.381 4.732 4.350 0.001 0.000 0.275 560 E C -1.479 175.142 176.600 0.034 0.000 0.890 560 E CA -0.833 55.583 56.400 0.027 0.000 0.754 560 E CB 2.156 31.867 29.700 0.019 0.000 1.207 560 E HN 0.438 nan 8.360 nan 0.000 0.426 561 D N 2.300 122.753 120.400 0.088 0.000 2.600 561 D HA 0.101 4.741 4.640 0.001 0.000 0.226 561 D C -1.077 175.244 176.300 0.035 0.000 1.119 561 D CA 0.612 54.642 54.000 0.049 0.000 1.051 561 D CB -0.470 40.375 40.800 0.075 0.000 1.106 561 D HN 0.488 nan 8.370 nan 0.000 0.491 562 H N 1.155 120.128 119.070 -0.162 0.000 3.024 562 H HA 0.052 4.608 4.556 0.001 0.000 0.324 562 H C -0.827 174.360 175.328 -0.234 0.000 1.347 562 H CA -0.535 55.378 56.048 -0.226 0.000 1.182 562 H CB 0.603 30.299 29.762 -0.110 0.000 1.889 562 H HN -0.063 nan 8.280 nan 0.000 0.528 563 Y N 1.054 121.196 120.300 -0.263 0.000 2.385 563 Y HA -0.057 4.493 4.550 0.000 0.000 0.346 563 Y C 1.497 177.461 175.900 0.107 0.000 1.270 563 Y CA 0.455 58.522 58.100 -0.055 0.000 1.472 563 Y CB 0.127 38.531 38.460 -0.094 0.000 1.354 563 Y HN 0.579 nan 8.280 nan 0.000 0.611 564 Y N -0.349 120.110 120.300 0.265 0.000 2.224 564 Y HA -0.155 4.395 4.550 0.001 0.000 0.289 564 Y C 0.760 176.725 175.900 0.109 0.000 1.146 564 Y CA 1.094 59.276 58.100 0.137 0.000 1.182 564 Y CB -0.102 38.412 38.460 0.089 0.000 0.983 564 Y HN 0.504 nan 8.280 nan 0.000 0.524 565 E N -0.560 119.811 120.200 0.284 0.000 2.259 565 E HA 0.338 4.688 4.350 0.001 0.000 0.281 565 E C 0.971 177.683 176.600 0.187 0.000 1.037 565 E CA 0.739 57.247 56.400 0.179 0.000 0.854 565 E CB 0.785 30.561 29.700 0.127 0.000 1.051 565 E HN 0.359 nan 8.360 nan 0.000 0.409 566 G N 2.188 111.042 108.800 0.090 0.000 2.179 566 G HA2 -0.254 3.706 3.960 0.001 0.000 0.260 566 G HA3 -0.254 3.706 3.960 0.001 0.000 0.260 566 G C 0.674 175.529 174.900 -0.075 0.000 0.977 566 G CA -0.034 45.091 45.100 0.042 0.000 0.641 566 G HN 0.811 nan 8.290 nan 0.000 0.533 567 G N -0.585 108.122 108.800 -0.154 0.000 2.543 567 G HA2 0.610 4.571 3.960 0.001 0.000 0.267 567 G HA3 0.610 4.571 3.960 0.001 0.000 0.267 567 G C 1.346 176.110 174.900 -0.227 0.000 1.406 567 G CA -0.196 44.647 45.100 -0.428 0.000 1.048 567 G HN 0.359 nan 8.290 nan 0.000 0.548 568 I N 0.666 121.118 120.570 -0.197 0.000 2.151 568 I HA -0.191 3.979 4.170 0.001 0.000 0.243 568 I C 3.007 179.072 176.117 -0.087 0.000 1.080 568 I CA 1.576 62.822 61.300 -0.091 0.000 1.339 568 I CB -0.549 37.432 38.000 -0.033 0.000 1.039 568 I HN 0.564 nan 8.210 nan 0.000 0.409 569 G N 0.244 108.949 108.800 -0.159 0.000 2.469 569 G HA2 -0.249 3.711 3.960 0.001 0.000 0.219 569 G HA3 -0.249 3.711 3.960 0.001 0.000 0.219 569 G C 1.576 176.327 174.900 -0.250 0.000 1.150 569 G CA 0.757 45.681 45.100 -0.293 0.000 0.763 569 G HN 0.437 nan 8.290 nan 0.000 0.561 570 E N 0.276 120.363 120.200 -0.189 0.000 2.107 570 E HA 0.061 4.412 4.350 0.001 0.000 0.191 570 E C 2.961 179.552 176.600 -0.015 0.000 0.982 570 E CA 0.486 56.844 56.400 -0.069 0.000 0.809 570 E CB -0.104 29.573 29.700 -0.038 0.000 0.756 570 E HN 0.402 nan 8.360 nan 0.000 0.459 571 A N 0.968 123.771 122.820 -0.030 0.000 1.883 571 A HA -0.165 4.155 4.320 0.001 0.000 0.217 571 A C 2.471 180.064 177.584 0.016 0.000 1.186 571 A CA 1.288 53.319 52.037 -0.010 0.000 0.624 571 A CB -0.708 18.278 19.000 -0.023 0.000 0.822 571 A HN 0.116 nan 8.150 nan 0.000 0.444 572 V N -0.292 119.640 119.914 0.030 0.000 2.358 572 V HA -0.203 3.918 4.120 0.001 0.000 0.246 572 V C 2.810 178.952 176.094 0.080 0.000 1.047 572 V CA 2.284 64.619 62.300 0.059 0.000 1.035 572 V CB -0.755 31.118 31.823 0.084 0.000 0.658 572 V HN 0.563 nan 8.190 nan 0.000 0.452 573 S N 0.661 116.431 115.700 0.118 0.000 2.356 573 S HA -0.199 4.271 4.470 0.001 0.000 0.223 573 S C 2.230 176.875 174.600 0.076 0.000 1.032 573 S CA 1.820 60.097 58.200 0.129 0.000 1.005 573 S CB -0.382 62.939 63.200 0.203 0.000 0.867 573 S HN 0.809 nan 8.310 nan 0.000 0.449 574 S N 1.953 117.687 115.700 0.058 0.000 2.428 574 S HA 0.124 4.594 4.470 0.001 0.000 0.230 574 S C 1.979 176.598 174.600 0.031 0.000 1.014 574 S CA 0.791 59.015 58.200 0.040 0.000 0.957 574 S CB -0.424 62.794 63.200 0.031 0.000 0.784 574 S HN 0.465 nan 8.310 nan 0.000 0.499 575 A N 1.512 124.350 122.820 0.030 0.000 1.972 575 A HA 0.073 4.393 4.320 0.001 0.000 0.219 575 A C 2.315 179.914 177.584 0.025 0.000 1.169 575 A CA 1.780 53.831 52.037 0.024 0.000 0.635 575 A CB -0.794 18.219 19.000 0.022 0.000 0.810 575 A HN 1.277 nan 8.150 nan 0.000 0.446 576 V N -3.608 116.325 119.914 0.032 0.000 3.605 576 V HA 0.324 4.444 4.120 0.001 0.000 0.284 576 V C 0.965 177.075 176.094 0.026 0.000 1.386 576 V CA 0.072 62.389 62.300 0.027 0.000 1.053 576 V CB -0.635 31.205 31.823 0.029 0.000 0.857 576 V HN 0.212 nan 8.190 nan 0.000 0.436 577 V N 3.314 123.247 119.914 0.030 0.000 2.644 577 V HA 0.435 4.555 4.120 0.001 0.000 0.305 577 V C 1.619 177.725 176.094 0.020 0.000 1.053 577 V CA 1.835 64.151 62.300 0.028 0.000 1.186 577 V CB 0.088 31.931 31.823 0.032 0.000 0.895 577 V HN 1.524 nan 8.190 nan 0.000 0.490 578 G N 4.110 112.920 108.800 0.017 0.000 2.179 578 G HA2 -0.185 3.775 3.960 0.001 0.000 0.260 578 G HA3 -0.185 3.775 3.960 0.001 0.000 0.260 578 G C 0.023 174.930 174.900 0.011 0.000 0.977 578 G CA 0.283 45.390 45.100 0.013 0.000 0.641 578 G HN 0.810 nan 8.290 nan 0.000 0.533 579 E N 1.461 121.668 120.200 0.011 0.000 2.316 579 E HA 0.342 4.692 4.350 0.001 0.000 0.275 579 E C -2.159 174.445 176.600 0.007 0.000 1.029 579 E CA -1.612 54.794 56.400 0.009 0.000 0.871 579 E CB 0.850 30.556 29.700 0.010 0.000 1.022 579 E HN 0.230 nan 8.360 nan 0.000 0.418 580 P HA 0.089 nan 4.420 nan 0.000 0.267 580 P C 0.758 178.061 177.300 0.004 0.000 1.205 580 P CA 0.357 63.459 63.100 0.004 0.000 0.765 580 P CB 0.601 32.303 31.700 0.004 0.000 0.828 581 G N 2.050 110.852 108.800 0.003 0.000 2.225 581 G HA2 -0.228 3.732 3.960 0.001 0.000 0.254 581 G HA3 -0.228 3.732 3.960 0.001 0.000 0.254 581 G C -0.015 174.886 174.900 0.001 0.000 0.988 581 G CA -0.382 44.719 45.100 0.002 0.000 0.625 581 G HN 0.472 nan 8.290 nan 0.000 0.527 582 I N 2.704 123.275 120.570 0.002 0.000 2.342 582 I HA 0.544 4.715 4.170 0.001 0.000 0.291 582 I C 0.922 177.038 176.117 -0.001 0.000 1.010 582 I CA -0.762 60.539 61.300 0.002 0.000 1.308 582 I CB 1.222 39.226 38.000 0.007 0.000 1.400 582 I HN 0.325 nan 8.210 nan 0.000 0.488 583 T N 3.888 118.438 114.554 -0.007 0.000 2.856 583 T HA 0.860 5.211 4.350 0.001 0.000 0.283 583 T C -0.570 174.111 174.700 -0.030 0.000 1.008 583 T CA -0.763 61.326 62.100 -0.018 0.000 0.997 583 T CB 1.681 70.538 68.868 -0.019 0.000 0.992 583 T HN 0.177 nan 8.240 nan 0.000 0.454 584 V N 2.613 122.492 119.914 -0.060 0.000 2.577 584 V HA 0.711 4.831 4.120 0.001 0.000 0.303 584 V C 0.185 176.119 176.094 -0.267 0.000 1.042 584 V CA -0.866 61.368 62.300 -0.111 0.000 0.872 584 V CB 1.631 33.422 31.823 -0.054 0.000 0.998 584 V HN 1.280 nan 8.190 nan 0.000 0.423 585 T N 0.568 114.961 114.554 -0.269 0.000 2.908 585 T HA 0.748 5.099 4.350 0.001 0.000 0.290 585 T C -0.879 173.641 174.700 -0.301 0.000 1.034 585 T CA -0.770 61.145 62.100 -0.307 0.000 1.010 585 T CB 2.054 70.863 68.868 -0.098 0.000 1.068 585 T HN 0.621 nan 8.240 nan 0.000 0.481 586 H N 0.815 119.961 119.070 0.126 0.000 2.572 586 H HA 0.597 5.153 4.556 0.001 0.000 0.359 586 H C -0.840 174.591 175.328 0.171 0.000 1.134 586 H CA -1.178 54.958 56.048 0.146 0.000 1.187 586 H CB 1.771 31.679 29.762 0.242 0.000 1.597 586 H HN 0.517 nan 8.280 nan 0.000 0.524 587 L N 1.776 123.123 121.223 0.207 0.000 2.349 587 L HA 0.734 5.074 4.340 0.001 0.000 0.278 587 L C -0.011 176.800 176.870 -0.098 0.000 0.996 587 L CA -0.541 54.371 54.840 0.121 0.000 0.825 587 L CB 1.557 43.677 42.059 0.101 0.000 1.243 587 L HN 0.722 nan 8.230 nan 0.000 0.412 588 A N 2.945 125.592 122.820 -0.288 0.000 2.593 588 A HA 0.804 5.124 4.320 0.001 0.000 0.304 588 A C -1.445 176.070 177.584 -0.115 0.000 1.233 588 A CA -0.487 51.268 52.037 -0.470 0.000 0.661 588 A CB 1.418 19.735 19.000 -1.139 0.000 1.338 588 A HN 0.221 nan 8.150 nan 0.000 0.495 589 V N 2.371 122.272 119.914 -0.022 0.000 2.383 589 V HA 0.250 4.371 4.120 0.001 0.000 0.275 589 V C 0.630 177.008 176.094 0.473 0.000 1.036 589 V CA 0.078 62.493 62.300 0.192 0.000 0.889 589 V CB 0.996 32.763 31.823 -0.093 0.000 0.985 589 V HN 0.941 nan 8.190 nan 0.000 0.459 590 N N 5.059 124.062 118.700 0.506 0.000 2.280 590 N HA 0.064 4.805 4.740 0.001 0.000 0.192 590 N C 0.317 175.970 175.510 0.238 0.000 1.109 590 N CA -0.201 53.099 53.050 0.417 0.000 0.855 590 N CB 0.494 39.160 38.487 0.299 0.000 0.974 590 N HN 0.816 nan 8.380 nan 0.000 0.482 591 R N -2.162 118.496 120.500 0.265 0.000 2.728 591 R HA 0.380 4.720 4.340 0.001 0.000 0.274 591 R C -1.572 174.835 176.300 0.178 0.000 1.030 591 R CA -0.861 55.325 56.100 0.143 0.000 0.876 591 R CB 0.459 30.865 30.300 0.178 0.000 1.259 591 R HN -0.221 nan 8.270 nan 0.000 0.468 592 V N 2.672 122.647 119.914 0.101 0.000 2.557 592 V HA 0.076 4.196 4.120 0.001 0.000 0.301 592 V C -1.668 174.472 176.094 0.077 0.000 1.026 592 V CA -0.305 62.064 62.300 0.115 0.000 1.137 592 V CB 0.145 32.014 31.823 0.076 0.000 0.917 592 V HN 0.668 nan 8.190 nan 0.000 0.484 593 P HA 0.566 nan 4.420 nan 0.000 0.329 593 P C -0.696 176.688 177.300 0.139 0.000 1.319 593 P CA -0.723 62.346 63.100 -0.051 0.000 0.742 593 P CB 0.563 32.032 31.700 -0.385 0.000 1.564 594 R N -3.319 117.299 120.500 0.196 0.000 2.741 594 R HA 0.643 4.984 4.340 0.001 0.000 0.274 594 R C -1.236 175.153 176.300 0.147 0.000 1.029 594 R CA -0.828 55.371 56.100 0.165 0.000 0.880 594 R CB 0.063 30.473 30.300 0.183 0.000 1.264 594 R HN 0.091 nan 8.270 nan 0.000 0.465 595 S N -0.768 114.998 115.700 0.110 0.000 2.565 595 S HA 0.744 5.215 4.470 0.001 0.000 0.276 595 S C -0.089 174.566 174.600 0.091 0.000 1.326 595 S CA 0.491 58.747 58.200 0.094 0.000 1.045 595 S CB 1.262 64.507 63.200 0.075 0.000 0.918 595 S HN 0.819 nan 8.310 nan 0.000 0.505 596 G N 1.756 110.607 108.800 0.085 0.000 2.342 596 G HA2 0.344 4.305 3.960 0.001 0.000 0.297 596 G HA3 0.344 4.305 3.960 0.001 0.000 0.297 596 G C -1.838 173.100 174.900 0.063 0.000 1.313 596 G CA -0.987 44.155 45.100 0.070 0.000 0.830 596 G HN 0.535 nan 8.290 nan 0.000 0.506 597 K N 0.895 121.325 120.400 0.050 0.000 2.295 597 K HA 0.261 4.581 4.320 0.001 0.000 0.270 597 K C -1.575 175.054 176.600 0.048 0.000 1.011 597 K CA -1.341 54.972 56.287 0.043 0.000 0.953 597 K CB 1.585 34.104 32.500 0.031 0.000 0.956 597 K HN 0.043 nan 8.250 nan 0.000 0.477 598 P HA -0.296 nan 4.420 nan 0.000 0.215 598 P C 0.947 178.274 177.300 0.044 0.000 1.163 598 P CA 1.743 64.865 63.100 0.038 0.000 0.894 598 P CB 0.099 31.808 31.700 0.016 0.000 0.791 599 A N -0.375 122.464 122.820 0.031 0.000 1.940 599 A HA -0.259 4.062 4.320 0.001 0.000 0.219 599 A C 2.121 179.727 177.584 0.036 0.000 1.176 599 A CA 1.920 53.976 52.037 0.030 0.000 0.631 599 A CB -1.282 17.729 19.000 0.019 0.000 0.814 599 A HN 0.234 nan 8.150 nan 0.000 0.446 600 E N -0.264 119.957 120.200 0.036 0.000 2.150 600 E HA -0.082 4.268 4.350 0.001 0.000 0.193 600 E C 1.876 178.502 176.600 0.043 0.000 0.985 600 E CA 0.946 57.364 56.400 0.029 0.000 0.814 600 E CB -0.215 29.500 29.700 0.025 0.000 0.752 600 E HN 0.637 nan 8.360 nan 0.000 0.466 601 L N 0.439 121.719 121.223 0.094 0.000 2.109 601 L HA -0.113 4.227 4.340 0.001 0.000 0.207 601 L C 2.343 179.357 176.870 0.241 0.000 1.086 601 L CA 0.621 55.581 54.840 0.200 0.000 0.760 601 L CB -0.315 41.895 42.059 0.250 0.000 0.910 601 L HN 0.174 nan 8.230 nan 0.000 0.437 602 L N 0.113 121.425 121.223 0.150 0.000 2.083 602 L HA -0.247 4.094 4.340 0.001 0.000 0.209 602 L C 2.709 179.637 176.870 0.097 0.000 1.083 602 L CA 1.430 56.348 54.840 0.131 0.000 0.752 602 L CB -0.464 41.645 42.059 0.082 0.000 0.899 602 L HN 0.270 nan 8.230 nan 0.000 0.433 603 K N 0.435 120.864 120.400 0.050 0.000 2.025 603 K HA -0.215 4.105 4.320 0.001 0.000 0.207 603 K C 2.278 178.852 176.600 -0.042 0.000 1.049 603 K CA 1.402 57.695 56.287 0.011 0.000 0.933 603 K CB -0.108 32.390 32.500 -0.002 0.000 0.714 603 K HN 0.119 nan 8.250 nan 0.000 0.438 604 M N -0.148 119.382 119.600 -0.116 0.000 2.144 604 M HA -0.166 4.314 4.480 0.001 0.000 0.260 604 M C 0.558 176.548 176.300 -0.516 0.000 1.067 604 M CA 1.749 56.831 55.300 -0.363 0.000 1.095 604 M CB 0.051 32.321 32.600 -0.551 0.000 1.365 604 M HN 0.105 nan 8.290 nan 0.000 0.406 605 F N 0.243 120.226 119.950 0.055 0.000 2.660 605 F HA 0.377 4.904 4.527 0.001 0.000 0.302 605 F C 1.449 177.296 175.800 0.078 0.000 1.103 605 F CA 0.343 58.386 58.000 0.072 0.000 1.340 605 F CB -0.204 38.835 39.000 0.066 0.000 1.048 605 F HN 0.367 nan 8.300 nan 0.000 0.551 606 G N 1.995 110.871 108.800 0.127 0.000 2.246 606 G HA2 -0.303 3.658 3.960 0.001 0.000 0.273 606 G HA3 -0.303 3.658 3.960 0.001 0.000 0.273 606 G C 0.586 175.556 174.900 0.116 0.000 1.055 606 G CA 0.645 45.811 45.100 0.111 0.000 0.851 606 G HN 0.668 nan 8.290 nan 0.000 0.500 607 I N -2.651 117.985 120.570 0.110 0.000 3.813 607 I HA 0.336 4.507 4.170 0.001 0.000 0.323 607 I C 0.219 176.375 176.117 0.065 0.000 1.536 607 I CA -0.357 60.993 61.300 0.084 0.000 1.083 607 I CB 0.267 38.316 38.000 0.083 0.000 1.265 607 I HN 0.085 nan 8.210 nan 0.000 0.507 608 D N 1.733 122.169 120.400 0.059 0.000 2.466 608 D HA 0.144 4.784 4.640 0.001 0.000 0.262 608 D C 1.416 177.737 176.300 0.035 0.000 1.177 608 D CA -0.532 53.495 54.000 0.045 0.000 1.035 608 D CB 0.889 41.712 40.800 0.040 0.000 1.105 608 D HN 0.342 nan 8.370 nan 0.000 0.551 609 R N 0.143 120.660 120.500 0.028 0.000 2.103 609 R HA -0.203 4.138 4.340 0.001 0.000 0.242 609 R C 0.910 177.221 176.300 0.020 0.000 1.142 609 R CA 1.622 57.735 56.100 0.021 0.000 0.960 609 R CB -0.686 29.625 30.300 0.018 0.000 0.858 609 R HN 0.329 nan 8.270 nan 0.000 0.439 610 D N 1.277 121.689 120.400 0.020 0.000 2.117 610 D HA -0.088 4.552 4.640 0.001 0.000 0.197 610 D C 2.085 178.398 176.300 0.021 0.000 0.987 610 D CA 1.762 55.772 54.000 0.017 0.000 0.829 610 D CB -0.323 40.485 40.800 0.014 0.000 0.961 610 D HN 0.448 nan 8.370 nan 0.000 0.460 611 A N 0.608 123.445 122.820 0.028 0.000 1.933 611 A HA -0.129 4.191 4.320 0.001 0.000 0.218 611 A C 2.351 179.958 177.584 0.037 0.000 1.175 611 A CA 0.853 52.912 52.037 0.037 0.000 0.628 611 A CB -0.620 18.410 19.000 0.051 0.000 0.814 611 A HN 0.177 nan 8.150 nan 0.000 0.444 612 I N -0.379 120.210 120.570 0.032 0.000 2.163 612 I HA -0.226 3.944 4.170 0.001 0.000 0.240 612 I C 2.995 179.124 176.117 0.021 0.000 1.081 612 I CA 1.008 62.325 61.300 0.028 0.000 1.353 612 I CB -0.390 37.622 38.000 0.021 0.000 1.054 612 I HN 0.324 nan 8.210 nan 0.000 0.407 613 A N 0.049 122.879 122.820 0.017 0.000 1.892 613 A HA -0.318 4.002 4.320 0.001 0.000 0.218 613 A C 2.329 179.922 177.584 0.014 0.000 1.188 613 A CA 2.445 54.489 52.037 0.012 0.000 0.631 613 A CB -1.037 17.969 19.000 0.010 0.000 0.822 613 A HN 0.422 nan 8.150 nan 0.000 0.447 614 Q N -0.864 118.946 119.800 0.017 0.000 2.167 614 Q HA 0.012 4.352 4.340 0.001 0.000 0.202 614 Q C 2.341 178.354 176.000 0.021 0.000 0.970 614 Q CA 1.736 57.549 55.803 0.018 0.000 0.855 614 Q CB -0.834 27.916 28.738 0.019 0.000 0.911 614 Q HN 0.938 nan 8.270 nan 0.000 0.438 615 A N -0.296 122.539 122.820 0.026 0.000 1.898 615 A HA -0.047 4.274 4.320 0.001 0.000 0.216 615 A C 2.364 179.959 177.584 0.018 0.000 1.181 615 A CA 1.589 53.642 52.037 0.028 0.000 0.620 615 A CB -0.757 18.266 19.000 0.039 0.000 0.819 615 A HN 0.452 nan 8.150 nan 0.000 0.442 616 V N 0.248 120.171 119.914 0.015 0.000 2.295 616 V HA -0.293 3.828 4.120 0.001 0.000 0.246 616 V C 2.621 178.720 176.094 0.007 0.000 1.049 616 V CA 2.302 64.607 62.300 0.009 0.000 1.024 616 V CB -0.828 30.999 31.823 0.007 0.000 0.648 616 V HN 0.539 nan 8.190 nan 0.000 0.447 617 R N 0.129 120.634 120.500 0.008 0.000 2.127 617 R HA -0.138 4.202 4.340 0.001 0.000 0.238 617 R C 2.347 178.651 176.300 0.006 0.000 1.134 617 R CA 1.433 57.537 56.100 0.006 0.000 0.975 617 R CB -0.747 29.558 30.300 0.007 0.000 0.865 617 R HN 0.607 nan 8.270 nan 0.000 0.447 618 G N 0.328 109.133 108.800 0.008 0.000 2.484 618 G HA2 -0.134 3.827 3.960 0.001 0.000 0.218 618 G HA3 -0.134 3.827 3.960 0.001 0.000 0.218 618 G C 1.052 175.955 174.900 0.005 0.000 1.130 618 G CA 0.114 45.219 45.100 0.008 0.000 0.784 618 G HN 0.056 nan 8.290 nan 0.000 0.543 619 L N 0.731 121.956 121.223 0.004 0.000 2.592 619 L HA 0.452 4.792 4.340 0.001 0.000 0.227 619 L C 1.645 178.514 176.870 -0.000 0.000 1.127 619 L CA 0.334 55.174 54.840 0.000 0.000 0.884 619 L CB -1.480 40.579 42.059 -0.001 0.000 1.065 619 L HN 0.472 nan 8.230 nan 0.000 0.457 620 I N 0.000 120.571 120.570 0.001 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 0.001 0.000 1.566 620 I CB 0.000 38.000 38.000 -0.000 0.000 1.214 620 I HN 0.000 nan 8.210 nan 0.000 0.494