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 3frp_1_A DATA FIRST_RESID 1 DATA SEQUENCE ALYTLITPAV LRTDTEEQIL VEAHGDSTPK QLDIFVHDFP RKQKTLFQTR DATA SEQUENCE VDMNPAGGML VTPTIEIPAK XXXXXXXXNQ YVVVQVTGPQ VRLEKVVLLS DATA SEQUENCE YQSSFLFIQT DKGIYTPGSP VLYRVFSMXX XXXXXXXTVI VEFQTPEGIL DATA SEQUENCE VSSNSVDLNF FWPYNLPDLV SLGTWRIVAK YEHSPENYTA YFDVRKYVLP DATA SEQUENCE SFEVRLQPSE KFFYIDGNEN FHVSITARYL YGEEVEGVAF VLFGVKIDDA DATA SEQUENCE KKSIPDSLTR IPIIDGDGKA TLKRDTFRSR FPXXXXLVGH TLYASVTVMT DATA SEQUENCE ESGSDMVVTE QSGIHIVASP YQIHFTKTPK YFKPGMPYEL TVYVTNPDGS DATA SEQUENCE PAAHVPVVSE AFHSMGTTLS DGTAKLILNI PLNAQSLPIT VRTNHGDLPR DATA SEQUENCE ERQATKSMTA IAYQTQGGSG NYLHVAITST EIKPGDNLPV NFNVKGNANS DATA SEQUENCE LKQIKYFTYL ILNKGKIFKV GRQPRRDGQN LVTMNLHITP DLIPSFRFVA DATA SEQUENCE YYQVGNNEIV ADSVWVDVKD TCMGTLVVKG DNLIQMPGAA MKIKLEGDPG DATA SEQUENCE ARVGLVAVDK AVYVLNDKYK ISQAKIWDTI EKSDFGcTAG SGQNNLGVFE DATA SEQUENCE DAGLALTTST NLNTKQRSAA KcP 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.368 177.584 -0.360 0.000 1.274 1 A CA 0.000 51.876 52.037 -0.269 0.000 0.836 1 A CB 0.000 18.925 19.000 -0.125 0.000 0.831 2 L N 0.774 121.733 121.223 -0.439 0.000 2.410 2 L HA 0.834 5.116 4.340 -0.096 0.000 0.270 2 L C -2.048 174.571 176.870 -0.417 0.000 0.983 2 L CA -0.831 53.825 54.840 -0.306 0.000 0.822 2 L CB 1.638 43.680 42.059 -0.027 0.000 1.285 2 L HN 0.303 nan 8.230 nan 0.000 0.409 3 Y N 1.873 122.218 120.300 0.074 0.000 2.446 3 Y HA 0.793 5.285 4.550 -0.096 0.000 0.345 3 Y C 0.341 176.267 175.900 0.043 0.000 0.984 3 Y CA -0.682 57.441 58.100 0.038 0.000 1.058 3 Y CB 2.336 40.802 38.460 0.011 0.000 1.220 3 Y HN 0.682 nan 8.280 nan 0.000 0.455 4 T N 0.924 115.598 114.554 0.201 0.000 2.900 4 T HA 0.722 5.014 4.350 -0.096 0.000 0.295 4 T C -1.694 173.051 174.700 0.075 0.000 1.044 4 T CA -0.784 61.382 62.100 0.110 0.000 0.995 4 T CB 1.675 70.631 68.868 0.146 0.000 1.072 4 T HN 0.536 nan 8.240 nan 0.000 0.473 5 L N 3.029 124.263 121.223 0.018 0.000 2.406 5 L HA 0.774 5.056 4.340 -0.096 0.000 0.272 5 L C -1.684 175.177 176.870 -0.015 0.000 0.980 5 L CA -0.866 53.981 54.840 0.012 0.000 0.831 5 L CB 1.256 43.317 42.059 0.004 0.000 1.253 5 L HN 0.838 nan 8.230 nan 0.000 0.406 6 I N 4.409 124.993 120.570 0.024 0.000 2.433 6 I HA 0.626 4.738 4.170 -0.096 0.000 0.292 6 I C -0.146 175.999 176.117 0.047 0.000 1.001 6 I CA -0.366 60.955 61.300 0.035 0.000 1.119 6 I CB 2.217 40.288 38.000 0.119 0.000 1.289 6 I HN 0.781 nan 8.210 nan 0.000 0.438 7 T N 3.341 117.917 114.554 0.037 0.000 2.901 7 T HA 0.603 4.896 4.350 -0.096 0.000 0.293 7 T C -2.922 171.813 174.700 0.059 0.000 1.084 7 T CA -2.329 59.793 62.100 0.036 0.000 1.008 7 T CB 2.130 70.998 68.868 -0.000 0.000 1.170 7 T HN 0.189 nan 8.240 nan 0.000 0.509 8 P HA 0.198 nan 4.420 nan 0.000 0.268 8 P C 0.795 178.101 177.300 0.009 0.000 1.208 8 P CA -0.135 63.018 63.100 0.088 0.000 0.777 8 P CB 0.372 32.140 31.700 0.114 0.000 0.875 9 A N 2.954 125.778 122.820 0.006 0.000 1.972 9 A HA 0.009 4.271 4.320 -0.096 0.000 0.219 9 A C 0.986 178.424 177.584 -0.242 0.000 1.169 9 A CA 1.467 53.459 52.037 -0.074 0.000 0.635 9 A CB -0.471 18.519 19.000 -0.017 0.000 0.810 9 A HN 0.448 nan 8.150 nan 0.000 0.446 10 V N -0.363 119.250 119.914 -0.501 0.000 2.769 10 V HA 0.511 4.574 4.120 -0.096 0.000 0.312 10 V C -0.564 175.274 176.094 -0.427 0.000 1.061 10 V CA -0.571 61.327 62.300 -0.670 0.000 0.931 10 V CB 1.778 32.798 31.823 -1.338 0.000 1.010 10 V HN 0.339 nan 8.190 nan 0.000 0.433 11 L N 3.809 124.861 121.223 -0.286 0.000 2.346 11 L HA 0.645 4.927 4.340 -0.096 0.000 0.276 11 L C -0.124 176.644 176.870 -0.170 0.000 1.006 11 L CA -0.553 54.187 54.840 -0.166 0.000 0.817 11 L CB 2.121 44.096 42.059 -0.141 0.000 1.272 11 L HN 0.558 nan 8.230 nan 0.000 0.421 12 R N 0.472 120.906 120.500 -0.109 0.000 2.532 12 R HA 0.441 4.724 4.340 -0.096 0.000 0.295 12 R C -0.325 175.882 176.300 -0.155 0.000 0.968 12 R CA -0.635 55.387 56.100 -0.130 0.000 0.916 12 R CB 1.794 32.050 30.300 -0.073 0.000 1.124 12 R HN 0.639 nan 8.270 nan 0.000 0.463 13 T N -0.197 114.242 114.554 -0.191 0.000 2.926 13 T HA 0.037 4.329 4.350 -0.096 0.000 0.307 13 T C 0.076 174.706 174.700 -0.116 0.000 1.059 13 T CA -0.521 61.496 62.100 -0.137 0.000 1.122 13 T CB 0.437 69.258 68.868 -0.078 0.000 0.972 13 T HN 0.709 nan 8.240 nan 0.000 0.545 14 D N -0.284 120.076 120.400 -0.067 0.000 2.911 14 D HA -0.150 4.432 4.640 -0.096 0.000 0.227 14 D C 0.171 176.444 176.300 -0.045 0.000 1.164 14 D CA 1.717 55.693 54.000 -0.040 0.000 0.782 14 D CB -1.960 38.824 40.800 -0.025 0.000 1.094 14 D HN 1.039 nan 8.370 nan 0.000 0.425 15 T N -2.566 111.951 114.554 -0.062 0.000 2.933 15 T HA 0.397 4.689 4.350 -0.096 0.000 0.305 15 T C -0.215 174.454 174.700 -0.052 0.000 1.092 15 T CA -1.080 60.996 62.100 -0.039 0.000 1.008 15 T CB 2.560 71.407 68.868 -0.034 0.000 1.102 15 T HN -0.117 nan 8.240 nan 0.000 0.469 16 E N 2.417 122.599 120.200 -0.030 0.000 2.498 16 E HA 0.049 4.342 4.350 -0.096 0.000 0.252 16 E C -0.245 176.332 176.600 -0.038 0.000 1.025 16 E CA 0.391 56.763 56.400 -0.047 0.000 0.938 16 E CB 0.487 30.181 29.700 -0.010 0.000 0.947 16 E HN 0.522 nan 8.360 nan 0.000 0.478 17 E N 3.207 123.355 120.200 -0.086 0.000 2.145 17 E HA 0.100 4.392 4.350 -0.096 0.000 0.262 17 E C -0.258 176.305 176.600 -0.061 0.000 0.883 17 E CA -0.451 55.917 56.400 -0.053 0.000 0.748 17 E CB 1.795 31.453 29.700 -0.070 0.000 1.140 17 E HN 0.435 nan 8.360 nan 0.000 0.417 18 Q N 3.336 123.126 119.800 -0.016 0.000 2.340 18 Q HA 0.454 4.736 4.340 -0.096 0.000 0.249 18 Q C -0.284 175.714 176.000 -0.002 0.000 0.957 18 Q CA -0.193 55.600 55.803 -0.018 0.000 0.882 18 Q CB 0.703 29.436 28.738 -0.008 0.000 1.235 18 Q HN 0.627 nan 8.270 nan 0.000 0.439 19 I N -0.079 120.487 120.570 -0.006 0.000 3.095 19 I HA 0.579 4.691 4.170 -0.096 0.000 0.310 19 I C -1.987 174.139 176.117 0.016 0.000 1.196 19 I CA -1.357 59.949 61.300 0.009 0.000 0.985 19 I CB 1.811 39.808 38.000 -0.005 0.000 1.250 19 I HN 0.499 nan 8.210 nan 0.000 0.446 20 L N 4.274 125.518 121.223 0.035 0.000 2.356 20 L HA 0.773 5.055 4.340 -0.096 0.000 0.277 20 L C -1.409 175.489 176.870 0.046 0.000 0.996 20 L CA -0.484 54.382 54.840 0.044 0.000 0.822 20 L CB 1.824 43.932 42.059 0.082 0.000 1.256 20 L HN 0.552 nan 8.230 nan 0.000 0.413 21 V N 4.756 124.687 119.914 0.028 0.000 2.483 21 V HA 0.560 4.623 4.120 -0.096 0.000 0.297 21 V C -0.541 175.559 176.094 0.010 0.000 1.027 21 V CA -0.537 61.777 62.300 0.024 0.000 0.855 21 V CB 1.812 33.637 31.823 0.004 0.000 0.995 21 V HN 0.805 nan 8.190 nan 0.000 0.424 22 E N 2.495 122.707 120.200 0.021 0.000 2.288 22 E HA 0.829 5.121 4.350 -0.096 0.000 0.268 22 E C -0.910 175.630 176.600 -0.100 0.000 0.885 22 E CA -0.736 55.619 56.400 -0.074 0.000 0.767 22 E CB 2.344 32.009 29.700 -0.059 0.000 1.220 22 E HN 0.808 nan 8.360 nan 0.000 0.427 23 A N 3.761 126.466 122.820 -0.192 0.000 2.340 23 A HA 0.424 4.686 4.320 -0.096 0.000 0.297 23 A C -1.373 176.085 177.584 -0.210 0.000 1.195 23 A CA -0.678 51.339 52.037 -0.034 0.000 0.769 23 A CB 0.519 19.628 19.000 0.182 0.000 1.163 23 A HN 0.575 nan 8.150 nan 0.000 0.472 24 H N 1.218 120.314 119.070 0.044 0.000 2.488 24 H HA 0.477 4.975 4.556 -0.096 0.000 0.322 24 H C 1.012 176.328 175.328 -0.021 0.000 1.078 24 H CA 0.480 56.567 56.048 0.066 0.000 1.260 24 H CB 1.598 31.427 29.762 0.112 0.000 1.425 24 H HN 1.358 nan 8.280 nan 0.000 0.471 25 G N 3.329 112.212 108.800 0.138 0.000 2.326 25 G HA2 -0.225 3.677 3.960 -0.096 0.000 0.286 25 G HA3 -0.225 3.677 3.960 -0.096 0.000 0.286 25 G C -0.525 174.389 174.900 0.023 0.000 1.096 25 G CA 0.422 45.559 45.100 0.061 0.000 1.003 25 G HN 0.771 nan 8.290 nan 0.000 0.503 26 D N -0.867 119.558 120.400 0.041 0.000 2.452 26 D HA 0.410 4.993 4.640 -0.096 0.000 0.226 26 D C 0.274 176.604 176.300 0.049 0.000 1.366 26 D CA 0.239 54.272 54.000 0.056 0.000 0.986 26 D CB 0.783 41.650 40.800 0.112 0.000 1.420 26 D HN 0.182 nan 8.370 nan 0.000 0.583 27 S N 2.793 118.515 115.700 0.037 0.000 2.526 27 S HA 0.317 4.729 4.470 -0.096 0.000 0.247 27 S C -0.475 174.137 174.600 0.020 0.000 1.076 27 S CA -0.122 58.091 58.200 0.022 0.000 1.105 27 S CB -0.262 62.949 63.200 0.018 0.000 0.793 27 S HN 0.388 nan 8.310 nan 0.000 0.458 28 T N 4.043 118.614 114.554 0.028 0.000 2.841 28 T HA 0.502 4.794 4.350 -0.096 0.000 0.285 28 T C -2.979 171.731 174.700 0.016 0.000 0.991 28 T CA -1.237 60.877 62.100 0.023 0.000 0.966 28 T CB 1.834 70.722 68.868 0.033 0.000 0.962 28 T HN 0.130 nan 8.240 nan 0.000 0.438 29 P HA 0.367 nan 4.420 nan 0.000 0.271 29 P C -0.797 176.499 177.300 -0.006 0.000 1.218 29 P CA -0.480 62.618 63.100 -0.004 0.000 0.780 29 P CB 0.415 32.111 31.700 -0.006 0.000 0.901 30 K N 0.535 120.926 120.400 -0.014 0.000 2.568 30 K HA 0.411 4.673 4.320 -0.096 0.000 0.273 30 K C -1.163 175.420 176.600 -0.029 0.000 0.951 30 K CA -1.081 55.193 56.287 -0.022 0.000 0.854 30 K CB 1.390 33.872 32.500 -0.030 0.000 1.424 30 K HN 0.288 nan 8.250 nan 0.000 0.427 31 Q N 1.781 121.564 119.800 -0.028 0.000 2.235 31 Q HA 0.455 4.737 4.340 -0.096 0.000 0.250 31 Q C -0.825 175.153 176.000 -0.036 0.000 0.909 31 Q CA -0.745 55.040 55.803 -0.030 0.000 0.910 31 Q CB 1.481 30.204 28.738 -0.024 0.000 1.223 31 Q HN 0.401 nan 8.270 nan 0.000 0.432 32 L N 1.811 123.010 121.223 -0.039 0.000 2.341 32 L HA 0.436 4.718 4.340 -0.096 0.000 0.278 32 L C -0.475 176.375 176.870 -0.034 0.000 1.005 32 L CA -0.688 54.128 54.840 -0.040 0.000 0.818 32 L CB 1.739 43.768 42.059 -0.051 0.000 1.259 32 L HN 0.482 nan 8.230 nan 0.000 0.418 33 D N 4.307 124.704 120.400 -0.006 0.000 2.193 33 D HA 0.545 5.127 4.640 -0.096 0.000 0.244 33 D C -0.680 175.631 176.300 0.018 0.000 1.064 33 D CA -0.106 53.886 54.000 -0.014 0.000 0.845 33 D CB 2.688 43.546 40.800 0.098 0.000 1.148 33 D HN 0.415 nan 8.370 nan 0.000 0.464 34 I N -0.110 120.365 120.570 -0.157 0.000 2.533 34 I HA 0.594 4.706 4.170 -0.096 0.000 0.290 34 I C -1.684 174.295 176.117 -0.229 0.000 1.056 34 I CA -0.703 60.569 61.300 -0.047 0.000 1.057 34 I CB 1.493 39.496 38.000 0.005 0.000 1.240 34 I HN 0.066 nan 8.210 nan 0.000 0.423 35 F N 4.536 124.530 119.950 0.072 0.000 2.588 35 F HA 0.770 5.239 4.527 -0.097 0.000 0.314 35 F C -0.482 175.346 175.800 0.045 0.000 1.069 35 F CA -0.939 57.082 58.000 0.034 0.000 0.931 35 F CB 2.507 41.561 39.000 0.091 0.000 1.260 35 F HN 0.190 nan 8.300 nan 0.000 0.465 36 V N 2.082 122.068 119.914 0.120 0.000 2.588 36 V HA 0.496 4.558 4.120 -0.096 0.000 0.304 36 V C -0.738 175.272 176.094 -0.140 0.000 1.042 36 V CA -0.738 61.607 62.300 0.076 0.000 0.877 36 V CB 1.828 33.712 31.823 0.102 0.000 0.996 36 V HN 0.720 nan 8.190 nan 0.000 0.425 37 H N 1.932 121.100 119.070 0.164 0.000 2.894 37 H HA 0.390 4.888 4.556 -0.096 0.000 0.368 37 H C -1.026 174.390 175.328 0.146 0.000 1.181 37 H CA -0.764 55.370 56.048 0.143 0.000 1.146 37 H CB 2.343 32.177 29.762 0.120 0.000 1.839 37 H HN 0.841 nan 8.280 nan 0.000 0.557 38 D N 0.783 121.337 120.400 0.256 0.000 2.382 38 D HA 0.100 4.683 4.640 -0.096 0.000 0.240 38 D C -0.498 175.967 176.300 0.275 0.000 1.146 38 D CA 0.073 54.203 54.000 0.217 0.000 0.897 38 D CB 1.376 42.266 40.800 0.150 0.000 1.197 38 D HN 0.241 nan 8.370 nan 0.000 0.432 39 F N 0.906 120.919 119.950 0.106 0.000 2.569 39 F HA 0.285 4.754 4.527 -0.097 0.000 0.312 39 F C -1.940 173.911 175.800 0.085 0.000 1.109 39 F CA -1.902 56.148 58.000 0.084 0.000 0.919 39 F CB 2.286 41.337 39.000 0.086 0.000 1.211 39 F HN 0.069 nan 8.300 nan 0.000 0.446 40 P HA -0.022 nan 4.420 nan 0.000 0.227 40 P C 1.066 178.080 177.300 -0.476 0.000 1.161 40 P CA 0.714 63.070 63.100 -1.239 0.000 0.788 40 P CB 0.242 31.385 31.700 -0.928 0.000 0.822 41 R N 0.914 121.279 120.500 -0.225 0.000 2.152 41 R HA -0.035 4.248 4.340 -0.096 0.000 0.232 41 R C 1.161 177.420 176.300 -0.068 0.000 1.117 41 R CA 0.449 56.479 56.100 -0.116 0.000 0.981 41 R CB -0.956 29.311 30.300 -0.056 0.000 0.870 41 R HN 0.275 nan 8.270 nan 0.000 0.451 42 K N 0.414 120.804 120.400 -0.015 0.000 3.016 42 K HA -0.237 4.026 4.320 -0.096 0.000 0.262 42 K C 1.032 177.649 176.600 0.029 0.000 1.043 42 K CA 0.727 57.021 56.287 0.012 0.000 0.761 42 K CB -0.397 32.036 32.500 -0.112 0.000 1.230 42 K HN 0.259 nan 8.250 nan 0.000 0.485 43 Q N 0.635 120.465 119.800 0.049 0.000 1.948 43 Q HA -0.079 4.204 4.340 -0.096 0.000 0.205 43 Q C 0.866 176.920 176.000 0.090 0.000 0.992 43 Q CA 1.450 57.282 55.803 0.047 0.000 0.849 43 Q CB -0.045 28.717 28.738 0.039 0.000 0.918 43 Q HN 0.147 nan 8.270 nan 0.000 0.421 44 K N 1.297 121.771 120.400 0.123 0.000 2.123 44 K HA 0.276 4.539 4.320 -0.096 0.000 0.259 44 K C -0.851 175.860 176.600 0.184 0.000 0.960 44 K CA -0.249 56.115 56.287 0.128 0.000 0.872 44 K CB 1.503 34.056 32.500 0.089 0.000 1.079 44 K HN 0.025 nan 8.250 nan 0.000 0.440 45 T N 4.659 119.300 114.554 0.144 0.000 2.752 45 T HA 0.188 4.480 4.350 -0.096 0.000 0.295 45 T C 1.636 176.342 174.700 0.010 0.000 0.923 45 T CA -0.062 62.053 62.100 0.025 0.000 1.112 45 T CB 0.222 69.149 68.868 0.099 0.000 0.884 45 T HN 0.377 nan 8.240 nan 0.000 0.525 46 L N 2.494 123.699 121.223 -0.029 0.000 2.249 46 L HA 0.410 4.692 4.340 -0.096 0.000 0.207 46 L C 0.340 177.292 176.870 0.137 0.000 1.090 46 L CA 0.585 55.459 54.840 0.057 0.000 0.802 46 L CB 0.142 42.239 42.059 0.063 0.000 0.947 46 L HN 0.533 nan 8.230 nan 0.000 0.453 47 F N 0.164 120.066 119.950 -0.080 0.000 2.678 47 F HA 0.426 4.895 4.527 -0.097 0.000 0.308 47 F C -1.536 174.175 175.800 -0.148 0.000 1.118 47 F CA -0.772 57.177 58.000 -0.086 0.000 0.959 47 F CB 1.429 40.384 39.000 -0.075 0.000 1.305 47 F HN -0.038 nan 8.300 nan 0.000 0.443 48 Q N 2.473 121.537 119.800 -1.227 0.000 2.482 48 Q HA 0.720 5.002 4.340 -0.096 0.000 0.286 48 Q C -1.818 173.503 176.000 -1.133 0.000 1.007 48 Q CA -1.051 54.105 55.803 -1.079 0.000 0.801 48 Q CB 2.707 30.922 28.738 -0.872 0.000 1.455 48 Q HN 0.814 nan 8.270 nan 0.000 0.398 49 T N -0.348 113.781 114.554 -0.708 0.000 2.907 49 T HA 0.400 4.692 4.350 -0.096 0.000 0.344 49 T C -2.051 172.489 174.700 -0.266 0.000 1.675 49 T CA -0.665 61.199 62.100 -0.394 0.000 1.076 49 T CB 1.904 70.657 68.868 -0.191 0.000 1.483 49 T HN 0.653 nan 8.240 nan 0.000 0.487 50 R N 2.354 122.752 120.500 -0.171 0.000 2.562 50 R HA 0.833 5.115 4.340 -0.096 0.000 0.298 50 R C -1.412 174.848 176.300 -0.068 0.000 0.961 50 R CA -0.584 55.451 56.100 -0.110 0.000 0.881 50 R CB 1.516 31.764 30.300 -0.088 0.000 1.159 50 R HN 0.478 nan 8.270 nan 0.000 0.450 51 V N 2.073 121.957 119.914 -0.050 0.000 2.962 51 V HA 0.230 4.292 4.120 -0.096 0.000 0.313 51 V C -0.755 175.319 176.094 -0.033 0.000 1.099 51 V CA -0.990 61.289 62.300 -0.035 0.000 0.971 51 V CB 2.119 33.926 31.823 -0.026 0.000 1.028 51 V HN 0.708 nan 8.190 nan 0.000 0.430 52 D N 2.964 123.347 120.400 -0.029 0.000 2.264 52 D HA 0.416 4.998 4.640 -0.096 0.000 0.250 52 D C -0.493 175.790 176.300 -0.029 0.000 1.113 52 D CA -0.062 53.922 54.000 -0.027 0.000 0.871 52 D CB 1.339 42.125 40.800 -0.024 0.000 1.167 52 D HN 0.577 nan 8.370 nan 0.000 0.447 53 M N 3.779 123.362 119.600 -0.029 0.000 2.190 53 M HA 0.357 4.779 4.480 -0.096 0.000 0.312 53 M C -1.705 174.579 176.300 -0.026 0.000 0.990 53 M CA -0.575 54.707 55.300 -0.031 0.000 0.927 53 M CB 0.893 33.472 32.600 -0.034 0.000 1.571 53 M HN 0.335 nan 8.290 nan 0.000 0.427 54 N N 4.709 123.391 118.700 -0.030 0.000 2.647 54 N HA 0.646 5.328 4.740 -0.096 0.000 0.266 54 N C -2.830 172.659 175.510 -0.034 0.000 1.373 54 N CA -1.625 51.409 53.050 -0.026 0.000 0.807 54 N CB 0.491 38.964 38.487 -0.023 0.000 1.513 54 N HN 0.251 nan 8.380 nan 0.000 0.505 55 P HA -0.103 nan 4.420 nan 0.000 0.225 55 P C 0.803 178.079 177.300 -0.040 0.000 1.148 55 P CA 1.147 64.225 63.100 -0.037 0.000 0.779 55 P CB -0.037 31.649 31.700 -0.023 0.000 0.780 56 A N 0.738 123.537 122.820 -0.034 0.000 1.898 56 A HA 0.007 4.270 4.320 -0.096 0.000 0.216 56 A C 2.296 179.855 177.584 -0.041 0.000 1.181 56 A CA 1.754 53.772 52.037 -0.032 0.000 0.620 56 A CB -1.613 17.372 19.000 -0.025 0.000 0.819 56 A HN 0.316 nan 8.150 nan 0.000 0.442 57 G N -1.581 107.190 108.800 -0.048 0.000 3.518 57 G HA2 0.414 4.316 3.960 -0.096 0.000 0.273 57 G HA3 0.414 4.316 3.960 -0.096 0.000 0.273 57 G C 0.945 175.796 174.900 -0.082 0.000 1.199 57 G CA 0.468 45.533 45.100 -0.058 0.000 0.899 57 G HN 1.525 nan 8.290 nan 0.000 0.533 58 G N 0.922 109.665 108.800 -0.094 0.000 2.323 58 G HA2 -0.255 3.647 3.960 -0.096 0.000 0.292 58 G HA3 -0.255 3.647 3.960 -0.096 0.000 0.292 58 G C 0.854 175.660 174.900 -0.156 0.000 1.040 58 G CA 0.167 45.181 45.100 -0.144 0.000 0.942 58 G HN 0.724 nan 8.290 nan 0.000 0.506 59 M N -2.702 116.835 119.600 -0.104 0.000 2.253 59 M HA -0.196 4.226 4.480 -0.096 0.000 0.199 59 M C 0.255 176.495 176.300 -0.099 0.000 0.342 59 M CA 1.304 56.552 55.300 -0.086 0.000 0.417 59 M CB -2.006 30.547 32.600 -0.077 0.000 1.338 59 M HN 0.894 nan 8.290 nan 0.000 0.920 60 L N -1.015 120.154 121.223 -0.090 0.000 2.408 60 L HA 0.842 5.125 4.340 -0.096 0.000 0.268 60 L C -0.947 175.888 176.870 -0.059 0.000 0.986 60 L CA -0.581 54.210 54.840 -0.081 0.000 0.820 60 L CB 2.218 44.217 42.059 -0.099 0.000 1.303 60 L HN -0.049 nan 8.230 nan 0.000 0.411 61 V N 2.463 122.352 119.914 -0.043 0.000 2.686 61 V HA 0.574 4.636 4.120 -0.096 0.000 0.306 61 V C -0.468 175.610 176.094 -0.027 0.000 1.065 61 V CA -0.231 62.049 62.300 -0.034 0.000 0.894 61 V CB 2.348 34.153 31.823 -0.030 0.000 1.004 61 V HN 0.815 nan 8.190 nan 0.000 0.424 62 T N 2.442 116.978 114.554 -0.030 0.000 3.317 62 T HA 0.562 4.854 4.350 -0.096 0.000 0.361 62 T C -2.458 172.228 174.700 -0.024 0.000 1.499 62 T CA -1.327 60.756 62.100 -0.029 0.000 1.529 62 T CB 0.991 69.832 68.868 -0.047 0.000 0.997 62 T HN 0.463 nan 8.240 nan 0.000 0.624 63 P HA 0.635 nan 4.420 nan 0.000 0.284 63 P C -0.349 176.939 177.300 -0.020 0.000 1.287 63 P CA -0.393 62.705 63.100 -0.003 0.000 0.824 63 P CB 1.135 32.847 31.700 0.019 0.000 1.180 64 T N -2.414 112.124 114.554 -0.026 0.000 2.893 64 T HA 0.795 5.087 4.350 -0.096 0.000 0.291 64 T C -0.074 174.472 174.700 -0.257 0.000 1.028 64 T CA -0.796 61.245 62.100 -0.098 0.000 0.995 64 T CB 0.647 69.472 68.868 -0.072 0.000 1.051 64 T HN 0.465 nan 8.240 nan 0.000 0.470 65 I N -1.168 119.134 120.570 -0.446 0.000 2.785 65 I HA 0.869 4.981 4.170 -0.096 0.000 0.302 65 I C -0.792 174.881 176.117 -0.741 0.000 1.069 65 I CA -1.108 59.567 61.300 -1.040 0.000 1.045 65 I CB 2.382 39.931 38.000 -0.751 0.000 1.236 65 I HN 0.843 nan 8.210 nan 0.000 0.429 66 E N 4.848 124.508 120.200 -0.900 0.000 2.246 66 E HA 0.562 4.854 4.350 -0.096 0.000 0.266 66 E C -1.679 174.803 176.600 -0.196 0.000 0.880 66 E CA -0.684 55.508 56.400 -0.347 0.000 0.762 66 E CB 2.096 31.701 29.700 -0.159 0.000 1.180 66 E HN 0.718 nan 8.360 nan 0.000 0.416 67 I N 6.418 126.916 120.570 -0.120 0.000 2.337 67 I HA 0.304 4.417 4.170 -0.096 0.000 0.285 67 I C -2.211 173.904 176.117 -0.004 0.000 1.041 67 I CA -2.335 58.939 61.300 -0.043 0.000 1.199 67 I CB 1.243 39.202 38.000 -0.069 0.000 1.370 67 I HN 0.322 nan 8.210 nan 0.000 0.470 68 P HA 0.033 nan 4.420 nan 0.000 0.268 68 P C -0.282 177.070 177.300 0.087 0.000 1.204 68 P CA -0.190 62.949 63.100 0.065 0.000 0.768 68 P CB 0.653 32.401 31.700 0.080 0.000 0.842 69 A N 4.300 127.189 122.820 0.115 0.000 2.491 69 A HA 0.292 4.554 4.320 -0.096 0.000 0.261 69 A C 0.371 178.059 177.584 0.173 0.000 1.101 69 A CA 0.778 52.934 52.037 0.197 0.000 0.772 69 A CB -0.503 18.637 19.000 0.233 0.000 1.043 69 A HN 0.527 nan 8.150 nan 0.000 0.501 80 Q N 1.675 121.288 119.800 -0.312 0.000 2.295 80 Q HA 0.552 4.834 4.340 -0.096 0.000 0.268 80 Q C -2.009 173.782 176.000 -0.347 0.000 1.010 80 Q CA -0.430 55.277 55.803 -0.160 0.000 0.856 80 Q CB 1.084 29.804 28.738 -0.030 0.000 1.349 80 Q HN 0.565 nan 8.270 nan 0.000 0.412 81 Y N 1.228 121.576 120.300 0.079 0.000 2.562 81 Y HA 0.810 5.302 4.550 -0.096 0.000 0.343 81 Y C -0.107 175.841 175.900 0.081 0.000 1.025 81 Y CA -0.701 57.432 58.100 0.056 0.000 1.082 81 Y CB 2.079 40.604 38.460 0.109 0.000 1.264 81 Y HN 0.508 nan 8.280 nan 0.000 0.478 82 V N -0.769 119.251 119.914 0.176 0.000 3.141 82 V HA 0.850 4.912 4.120 -0.096 0.000 0.312 82 V C -1.682 174.448 176.094 0.060 0.000 1.157 82 V CA -1.024 61.362 62.300 0.143 0.000 1.041 82 V CB 1.730 33.595 31.823 0.070 0.000 1.071 82 V HN 0.557 nan 8.190 nan 0.000 0.441 83 V N 1.983 121.968 119.914 0.118 0.000 2.483 83 V HA 0.659 4.722 4.120 -0.096 0.000 0.297 83 V C -0.596 175.570 176.094 0.119 0.000 1.027 83 V CA -0.316 62.026 62.300 0.071 0.000 0.855 83 V CB 1.758 33.656 31.823 0.125 0.000 0.995 83 V HN 0.915 nan 8.190 nan 0.000 0.424 84 V N 7.316 127.269 119.914 0.065 0.000 2.406 84 V HA 0.442 4.504 4.120 -0.096 0.000 0.272 84 V C 0.072 176.227 176.094 0.102 0.000 1.043 84 V CA -0.195 62.158 62.300 0.088 0.000 0.915 84 V CB 1.198 33.045 31.823 0.040 0.000 0.988 84 V HN 0.964 nan 8.190 nan 0.000 0.466 85 Q N 4.156 124.058 119.800 0.170 0.000 2.312 85 Q HA 0.735 5.017 4.340 -0.096 0.000 0.263 85 Q C -1.170 174.929 176.000 0.165 0.000 0.995 85 Q CA -0.641 55.259 55.803 0.162 0.000 0.853 85 Q CB 2.253 31.119 28.738 0.215 0.000 1.300 85 Q HN 0.756 nan 8.270 nan 0.000 0.448 86 V N 0.608 120.583 119.914 0.101 0.000 2.588 86 V HA 0.896 4.959 4.120 -0.096 0.000 0.304 86 V C -0.770 175.350 176.094 0.045 0.000 1.042 86 V CA -0.211 62.135 62.300 0.076 0.000 0.877 86 V CB 1.495 33.335 31.823 0.027 0.000 0.996 86 V HN 0.880 nan 8.190 nan 0.000 0.425 87 T N 1.148 115.733 114.554 0.053 0.000 2.916 87 T HA 0.983 5.275 4.350 -0.096 0.000 0.305 87 T C -0.069 174.624 174.700 -0.011 0.000 1.119 87 T CA 0.026 62.135 62.100 0.015 0.000 1.008 87 T CB 1.553 70.451 68.868 0.051 0.000 1.129 87 T HN 1.996 nan 8.240 nan 0.000 0.480 88 G N 1.209 109.975 108.800 -0.057 0.000 2.490 88 G HA2 0.672 4.574 3.960 -0.096 0.000 0.308 88 G HA3 0.672 4.574 3.960 -0.096 0.000 0.308 88 G C -3.290 171.566 174.900 -0.074 0.000 1.286 88 G CA -1.099 43.965 45.100 -0.060 0.000 0.825 88 G HN 0.691 nan 8.290 nan 0.000 0.479 89 P HA 0.263 nan 4.420 nan 0.000 0.264 89 P C -0.215 177.047 177.300 -0.063 0.000 1.229 89 P CA 0.488 63.563 63.100 -0.042 0.000 0.780 89 P CB 1.022 32.709 31.700 -0.023 0.000 0.808 90 Q N -0.696 119.077 119.800 -0.044 0.000 2.406 90 Q HA -0.081 4.201 4.340 -0.096 0.000 0.164 90 Q C -0.353 175.583 176.000 -0.106 0.000 0.570 90 Q CA 0.762 56.561 55.803 -0.007 0.000 1.324 90 Q CB -2.074 26.719 28.738 0.092 0.000 1.119 90 Q HN 0.374 nan 8.270 nan 0.000 1.026 91 V N 1.230 120.999 119.914 -0.243 0.000 2.487 91 V HA 0.703 4.766 4.120 -0.096 0.000 0.298 91 V C 0.060 176.069 176.094 -0.141 0.000 1.028 91 V CA -0.530 61.552 62.300 -0.364 0.000 0.860 91 V CB 2.150 33.623 31.823 -0.582 0.000 0.991 91 V HN 0.230 nan 8.190 nan 0.000 0.427 92 R N 5.023 125.482 120.500 -0.068 0.000 2.810 92 R HA 0.613 4.895 4.340 -0.096 0.000 0.280 92 R C -2.134 174.169 176.300 0.005 0.000 1.517 92 R CA -0.372 55.716 56.100 -0.019 0.000 1.063 92 R CB 0.832 31.130 30.300 -0.004 0.000 1.275 92 R HN 0.725 nan 8.270 nan 0.000 0.464 93 L N 3.558 124.784 121.223 0.006 0.000 2.354 93 L HA 0.636 4.918 4.340 -0.096 0.000 0.269 93 L C -0.566 176.316 176.870 0.020 0.000 1.005 93 L CA -0.833 54.016 54.840 0.015 0.000 0.819 93 L CB 2.240 44.308 42.059 0.016 0.000 1.311 93 L HN 0.597 nan 8.230 nan 0.000 0.423 94 E N 1.599 121.805 120.200 0.009 0.000 2.343 94 E HA 0.464 4.756 4.350 -0.096 0.000 0.286 94 E C -1.609 174.974 176.600 -0.028 0.000 0.915 94 E CA -1.072 55.333 56.400 0.008 0.000 0.784 94 E CB 2.741 32.453 29.700 0.020 0.000 1.251 94 E HN 0.220 nan 8.360 nan 0.000 0.407 95 K N 1.696 122.073 120.400 -0.038 0.000 2.324 95 K HA 0.445 4.708 4.320 -0.096 0.000 0.253 95 K C -1.505 175.022 176.600 -0.123 0.000 0.932 95 K CA -0.854 55.386 56.287 -0.079 0.000 0.799 95 K CB 2.139 34.602 32.500 -0.062 0.000 1.154 95 K HN 0.422 nan 8.250 nan 0.000 0.425 96 V N 4.735 124.524 119.914 -0.209 0.000 2.383 96 V HA 0.498 4.560 4.120 -0.096 0.000 0.275 96 V C -0.680 175.310 176.094 -0.172 0.000 1.036 96 V CA -0.710 61.390 62.300 -0.334 0.000 0.889 96 V CB 1.345 32.756 31.823 -0.686 0.000 0.985 96 V HN 0.535 nan 8.190 nan 0.000 0.459 97 V N 5.653 125.522 119.914 -0.076 0.000 2.709 97 V HA 0.443 4.505 4.120 -0.096 0.000 0.308 97 V C -0.272 175.845 176.094 0.039 0.000 1.062 97 V CA -0.878 61.411 62.300 -0.018 0.000 0.901 97 V CB 1.975 33.763 31.823 -0.058 0.000 1.003 97 V HN 0.694 nan 8.190 nan 0.000 0.425 98 L N 3.750 124.969 121.223 -0.007 0.000 2.461 98 L HA 0.398 4.680 4.340 -0.096 0.000 0.272 98 L C -0.485 176.224 176.870 -0.269 0.000 1.197 98 L CA 0.494 55.201 54.840 -0.221 0.000 0.836 98 L CB 0.746 42.656 42.059 -0.248 0.000 1.105 98 L HN 0.635 nan 8.230 nan 0.000 0.477 99 L N 3.637 124.656 121.223 -0.340 0.000 2.334 99 L HA 0.613 4.895 4.340 -0.096 0.000 0.276 99 L C -0.341 176.304 176.870 -0.376 0.000 1.014 99 L CA 0.364 54.997 54.840 -0.345 0.000 0.815 99 L CB 1.839 43.680 42.059 -0.362 0.000 1.268 99 L HN 0.709 nan 8.230 nan 0.000 0.428 100 S N 2.071 117.558 115.700 -0.355 0.000 2.536 100 S HA 0.460 4.872 4.470 -0.096 0.000 0.298 100 S C 0.016 174.411 174.600 -0.341 0.000 1.083 100 S CA -0.327 57.716 58.200 -0.261 0.000 0.995 100 S CB 0.797 63.943 63.200 -0.090 0.000 1.058 100 S HN 0.540 nan 8.310 nan 0.000 0.488 101 Y N 1.260 121.521 120.300 -0.065 0.000 2.462 101 Y HA 0.277 4.770 4.550 -0.095 0.000 0.261 101 Y C 1.618 177.390 175.900 -0.213 0.000 1.146 101 Y CA -0.074 57.969 58.100 -0.094 0.000 1.283 101 Y CB 0.380 38.834 38.460 -0.010 0.000 1.090 101 Y HN 0.599 nan 8.280 nan 0.000 0.526 102 Q N 1.185 120.952 119.800 -0.055 0.000 2.580 102 Q HA -0.003 4.279 4.340 -0.096 0.000 0.232 102 Q C 0.688 176.451 176.000 -0.395 0.000 1.326 102 Q CA -0.041 55.658 55.803 -0.174 0.000 0.887 102 Q CB 0.315 29.011 28.738 -0.070 0.000 1.617 102 Q HN 0.366 nan 8.270 nan 0.000 0.554 103 S N 1.172 116.406 115.700 -0.775 0.000 2.370 103 S HA -0.078 4.334 4.470 -0.096 0.000 0.226 103 S C 0.356 174.747 174.600 -0.348 0.000 1.033 103 S CA 1.108 58.962 58.200 -0.576 0.000 1.011 103 S CB 0.195 62.962 63.200 -0.722 0.000 0.852 103 S HN 0.564 nan 8.310 nan 0.000 0.457 104 S N -0.999 114.536 115.700 -0.274 0.000 2.903 104 S HA 0.664 5.076 4.470 -0.096 0.000 0.314 104 S C -1.386 173.060 174.600 -0.257 0.000 1.177 104 S CA -0.825 57.270 58.200 -0.175 0.000 0.859 104 S CB 0.589 63.866 63.200 0.129 0.000 1.265 104 S HN 0.205 nan 8.310 nan 0.000 0.584 105 F N 1.458 121.466 119.950 0.097 0.000 2.436 105 F HA 0.605 5.074 4.527 -0.097 0.000 0.340 105 F C -0.245 175.443 175.800 -0.187 0.000 1.113 105 F CA -0.661 57.300 58.000 -0.065 0.000 1.022 105 F CB 0.585 39.530 39.000 -0.091 0.000 1.128 105 F HN 0.123 nan 8.300 nan 0.000 0.466 106 L N 3.612 124.710 121.223 -0.209 0.000 2.325 106 L HA 0.615 4.897 4.340 -0.096 0.000 0.278 106 L C -1.110 175.249 176.870 -0.852 0.000 1.023 106 L CA -0.682 53.984 54.840 -0.291 0.000 0.811 106 L CB 1.516 43.478 42.059 -0.161 0.000 1.249 106 L HN 0.471 nan 8.230 nan 0.000 0.431 107 F N 2.373 122.155 119.950 -0.280 0.000 2.556 107 F HA 0.547 5.016 4.527 -0.097 0.000 0.314 107 F C -0.168 175.521 175.800 -0.185 0.000 1.106 107 F CA -0.537 57.109 58.000 -0.590 0.000 0.911 107 F CB 1.831 40.543 39.000 -0.479 0.000 1.190 107 F HN 0.150 nan 8.300 nan 0.000 0.448 108 I N 2.555 123.143 120.570 0.031 0.000 2.330 108 I HA 0.294 4.406 4.170 -0.096 0.000 0.289 108 I C -0.452 175.778 176.117 0.188 0.000 1.001 108 I CA -0.582 60.785 61.300 0.111 0.000 1.193 108 I CB 1.584 39.628 38.000 0.074 0.000 1.345 108 I HN 0.586 nan 8.210 nan 0.000 0.461 109 Q N 5.600 125.527 119.800 0.213 0.000 2.243 109 Q HA 0.446 4.729 4.340 -0.096 0.000 0.252 109 Q C -0.512 175.585 176.000 0.161 0.000 0.909 109 Q CA -0.547 55.381 55.803 0.208 0.000 0.922 109 Q CB 1.538 30.460 28.738 0.307 0.000 1.215 109 Q HN 0.751 nan 8.270 nan 0.000 0.427 110 T N -0.101 114.553 114.554 0.167 0.000 2.912 110 T HA 0.160 4.452 4.350 -0.096 0.000 0.288 110 T C 0.593 175.392 174.700 0.165 0.000 1.030 110 T CA -0.535 61.673 62.100 0.180 0.000 1.020 110 T CB 1.493 70.488 68.868 0.211 0.000 1.056 110 T HN 0.713 nan 8.240 nan 0.000 0.480 111 D N 1.498 122.009 120.400 0.184 0.000 2.160 111 D HA -0.155 4.427 4.640 -0.096 0.000 0.189 111 D C 0.593 176.949 176.300 0.092 0.000 1.003 111 D CA 1.940 56.032 54.000 0.154 0.000 0.846 111 D CB 0.093 41.031 40.800 0.230 0.000 0.949 111 D HN 0.822 nan 8.370 nan 0.000 0.446 112 K N -3.813 116.635 120.400 0.080 0.000 2.522 112 K HA 0.580 4.842 4.320 -0.096 0.000 0.275 112 K C 0.631 177.236 176.600 0.008 0.000 1.006 112 K CA -0.513 55.719 56.287 -0.091 0.000 0.890 112 K CB 1.171 33.495 32.500 -0.293 0.000 1.475 112 K HN -0.086 nan 8.250 nan 0.000 0.441 113 G N 0.279 109.072 108.800 -0.012 0.000 2.985 113 G HA2 0.177 4.080 3.960 -0.096 0.000 0.209 113 G HA3 0.177 4.080 3.960 -0.096 0.000 0.209 113 G C -0.028 174.992 174.900 0.201 0.000 1.165 113 G CA 0.240 45.458 45.100 0.196 0.000 0.776 113 G HN 0.501 nan 8.290 nan 0.000 0.541 114 I N -0.522 119.988 120.570 -0.100 0.000 2.644 114 I HA 0.562 4.674 4.170 -0.096 0.000 0.291 114 I C -1.735 174.241 176.117 -0.235 0.000 1.180 114 I CA -1.186 60.056 61.300 -0.096 0.000 1.040 114 I CB 1.862 39.649 38.000 -0.355 0.000 1.255 114 I HN -0.044 nan 8.210 nan 0.000 0.422 115 Y N 3.596 124.035 120.300 0.232 0.000 2.562 115 Y HA 0.609 5.103 4.550 -0.093 0.000 0.343 115 Y C 0.416 176.519 175.900 0.338 0.000 1.025 115 Y CA -0.720 57.530 58.100 0.250 0.000 1.082 115 Y CB 2.115 40.613 38.460 0.063 0.000 1.264 115 Y HN 0.512 nan 8.280 nan 0.000 0.478 116 T N -0.732 114.036 114.554 0.356 0.000 2.929 116 T HA 0.550 4.842 4.350 -0.096 0.000 0.284 116 T C -2.866 171.927 174.700 0.157 0.000 1.014 116 T CA -2.614 59.609 62.100 0.205 0.000 1.051 116 T CB 1.443 70.322 68.868 0.018 0.000 1.028 116 T HN 0.178 nan 8.240 nan 0.000 0.485 117 P HA 0.294 nan 4.420 nan 0.000 0.267 117 P C 0.938 178.272 177.300 0.058 0.000 1.200 117 P CA 0.813 63.968 63.100 0.093 0.000 0.772 117 P CB 0.004 31.760 31.700 0.094 0.000 0.855 118 G N 1.025 109.846 108.800 0.035 0.000 2.272 118 G HA2 -0.098 3.804 3.960 -0.096 0.000 0.280 118 G HA3 -0.098 3.804 3.960 -0.096 0.000 0.280 118 G C 0.016 174.925 174.900 0.014 0.000 1.067 118 G CA 0.241 45.349 45.100 0.012 0.000 0.902 118 G HN 0.817 nan 8.290 nan 0.000 0.500 119 S N -1.078 114.636 115.700 0.024 0.000 2.632 119 S HA 0.924 5.336 4.470 -0.096 0.000 0.289 119 S C -2.780 171.825 174.600 0.009 0.000 1.115 119 S CA -1.382 56.846 58.200 0.047 0.000 0.889 119 S CB 3.624 66.897 63.200 0.123 0.000 1.116 119 S HN 0.248 nan 8.310 nan 0.000 0.486 120 P HA 0.545 nan 4.420 nan 0.000 0.280 120 P C -1.222 176.038 177.300 -0.066 0.000 1.272 120 P CA -0.742 62.341 63.100 -0.029 0.000 0.819 120 P CB 0.950 32.653 31.700 0.004 0.000 1.122 121 V N 2.048 121.860 119.914 -0.169 0.000 2.376 121 V HA 0.278 4.340 4.120 -0.096 0.000 0.287 121 V C 0.226 176.328 176.094 0.014 0.000 1.015 121 V CA -0.517 61.593 62.300 -0.317 0.000 0.834 121 V CB 1.038 32.419 31.823 -0.737 0.000 1.001 121 V HN 0.344 nan 8.190 nan 0.000 0.428 122 L N 6.671 127.944 121.223 0.085 0.000 2.312 122 L HA 0.658 4.941 4.340 -0.096 0.000 0.281 122 L C -0.494 176.432 176.870 0.093 0.000 1.070 122 L CA -0.398 54.464 54.840 0.038 0.000 0.805 122 L CB 0.884 42.956 42.059 0.021 0.000 1.174 122 L HN 0.774 nan 8.230 nan 0.000 0.434 123 Y N 1.040 121.308 120.300 -0.052 0.000 2.597 123 Y HA 0.798 5.288 4.550 -0.100 0.000 0.340 123 Y C -1.089 174.568 175.900 -0.406 0.000 1.097 123 Y CA -1.366 56.651 58.100 -0.138 0.000 1.037 123 Y CB 1.567 39.979 38.460 -0.080 0.000 1.305 123 Y HN 0.380 nan 8.280 nan 0.000 0.463 124 R N 1.478 121.765 120.500 -0.356 0.000 2.795 124 R HA 0.781 5.064 4.340 -0.096 0.000 0.275 124 R C -1.905 173.907 176.300 -0.813 0.000 0.981 124 R CA -1.348 54.113 56.100 -1.065 0.000 0.917 124 R CB 2.908 32.715 30.300 -0.822 0.000 1.202 124 R HN 0.618 nan 8.270 nan 0.000 0.469 125 V N 3.273 122.502 119.914 -1.141 0.000 2.487 125 V HA 0.508 4.570 4.120 -0.096 0.000 0.298 125 V C -0.929 174.928 176.094 -0.395 0.000 1.028 125 V CA -0.630 61.417 62.300 -0.421 0.000 0.860 125 V CB 1.353 33.115 31.823 -0.102 0.000 0.991 125 V HN 0.523 nan 8.190 nan 0.000 0.427 126 F N 1.986 121.940 119.950 0.007 0.000 2.507 126 F HA 0.717 5.188 4.527 -0.093 0.000 0.327 126 F C 0.505 176.367 175.800 0.103 0.000 1.068 126 F CA -0.510 57.532 58.000 0.070 0.000 0.965 126 F CB 2.189 41.218 39.000 0.049 0.000 1.192 126 F HN 0.421 nan 8.300 nan 0.000 0.476 127 S N 3.113 119.000 115.700 0.312 0.000 2.532 127 S HA 0.578 4.990 4.470 -0.096 0.000 0.299 127 S C -0.376 174.382 174.600 0.262 0.000 1.105 127 S CA -0.871 57.479 58.200 0.251 0.000 1.018 127 S CB 0.661 63.975 63.200 0.191 0.000 1.021 127 S HN 0.510 nan 8.310 nan 0.000 0.483 139 V N 3.324 123.208 119.914 -0.050 0.000 2.769 139 V HA 0.868 4.930 4.120 -0.096 0.000 0.312 139 V C -0.459 175.599 176.094 -0.060 0.000 1.061 139 V CA -1.043 61.164 62.300 -0.155 0.000 0.931 139 V CB 1.806 33.508 31.823 -0.202 0.000 1.010 139 V HN 0.950 nan 8.190 nan 0.000 0.433 140 I N 1.528 122.053 120.570 -0.075 0.000 2.785 140 I HA 0.912 5.024 4.170 -0.096 0.000 0.302 140 I C -0.867 175.239 176.117 -0.017 0.000 1.069 140 I CA -0.795 60.497 61.300 -0.014 0.000 1.045 140 I CB 2.297 40.285 38.000 -0.019 0.000 1.236 140 I HN 0.260 nan 8.210 nan 0.000 0.429 141 V N 3.350 123.287 119.914 0.038 0.000 2.588 141 V HA 0.556 4.618 4.120 -0.096 0.000 0.304 141 V C -0.472 175.641 176.094 0.032 0.000 1.042 141 V CA -0.413 61.882 62.300 -0.007 0.000 0.877 141 V CB 1.633 33.471 31.823 0.026 0.000 0.996 141 V HN 0.859 nan 8.190 nan 0.000 0.425 142 E N 3.145 123.302 120.200 -0.071 0.000 2.256 142 E HA 0.622 4.915 4.350 -0.096 0.000 0.267 142 E C -1.747 174.785 176.600 -0.113 0.000 0.892 142 E CA -0.584 55.815 56.400 -0.001 0.000 0.775 142 E CB 2.692 32.372 29.700 -0.034 0.000 1.207 142 E HN 0.485 nan 8.360 nan 0.000 0.420 143 F N 1.619 121.517 119.950 -0.086 0.000 2.458 143 F HA 0.316 4.792 4.527 -0.086 0.000 0.336 143 F C 0.214 175.984 175.800 -0.051 0.000 1.114 143 F CA -0.463 57.478 58.000 -0.099 0.000 0.987 143 F CB 1.658 40.500 39.000 -0.263 0.000 1.130 143 F HN 0.194 nan 8.300 nan 0.000 0.458 144 Q N 1.334 121.150 119.800 0.026 0.000 2.377 144 Q HA 0.446 4.728 4.340 -0.096 0.000 0.271 144 Q C -0.211 175.555 176.000 -0.391 0.000 1.077 144 Q CA -1.054 54.662 55.803 -0.145 0.000 0.820 144 Q CB 2.592 31.213 28.738 -0.195 0.000 1.347 144 Q HN 0.757 nan 8.270 nan 0.000 0.444 145 T N -1.915 112.258 114.554 -0.635 0.000 2.788 145 T HA 0.222 4.514 4.350 -0.096 0.000 0.280 145 T C -1.911 172.309 174.700 -0.800 0.000 0.984 145 T CA -1.499 59.882 62.100 -1.199 0.000 0.972 145 T CB 0.576 68.926 68.868 -0.864 0.000 1.039 145 T HN 0.213 nan 8.240 nan 0.000 0.530 146 P HA -0.076 nan 4.420 nan 0.000 0.215 146 P C 1.088 178.237 177.300 -0.253 0.000 1.157 146 P CA 1.141 64.014 63.100 -0.378 0.000 0.874 146 P CB -0.061 31.490 31.700 -0.250 0.000 0.790 147 E N -1.568 118.484 120.200 -0.246 0.000 2.515 147 E HA 0.126 4.418 4.350 -0.096 0.000 0.201 147 E C 1.314 177.818 176.600 -0.160 0.000 1.071 147 E CA 0.908 57.209 56.400 -0.165 0.000 0.880 147 E CB -1.036 28.584 29.700 -0.134 0.000 0.828 147 E HN 0.236 nan 8.360 nan 0.000 0.540 148 G N 0.299 108.974 108.800 -0.210 0.000 2.132 148 G HA2 -0.219 3.684 3.960 -0.096 0.000 0.228 148 G HA3 -0.219 3.684 3.960 -0.096 0.000 0.228 148 G C -0.066 174.744 174.900 -0.150 0.000 1.000 148 G CA -0.168 44.829 45.100 -0.171 0.000 0.693 148 G HN 0.158 nan 8.290 nan 0.000 0.515 149 I N 0.874 121.338 120.570 -0.177 0.000 2.315 149 I HA 0.404 4.516 4.170 -0.096 0.000 0.291 149 I C 0.909 176.957 176.117 -0.115 0.000 1.006 149 I CA -1.302 59.922 61.300 -0.127 0.000 1.265 149 I CB 1.042 38.973 38.000 -0.116 0.000 1.387 149 I HN -0.070 nan 8.210 nan 0.000 0.475 150 L N 6.725 127.910 121.223 -0.063 0.000 2.485 150 L HA 0.000 4.283 4.340 -0.096 0.000 0.275 150 L C 1.052 177.939 176.870 0.029 0.000 1.207 150 L CA 0.731 55.560 54.840 -0.018 0.000 0.855 150 L CB 0.721 42.778 42.059 -0.004 0.000 1.114 150 L HN 0.599 nan 8.230 nan 0.000 0.485 151 V N -1.391 118.584 119.914 0.101 0.000 3.392 151 V HA 0.463 4.526 4.120 -0.096 0.000 0.294 151 V C 0.078 176.311 176.094 0.232 0.000 1.561 151 V CA 0.220 62.622 62.300 0.169 0.000 1.056 151 V CB 0.213 32.185 31.823 0.249 0.000 0.882 151 V HN 0.666 nan 8.190 nan 0.000 0.440 152 S N -0.229 115.606 115.700 0.226 0.000 2.547 152 S HA 0.788 5.200 4.470 -0.096 0.000 0.270 152 S C -1.101 173.611 174.600 0.187 0.000 1.150 152 S CA 0.471 58.819 58.200 0.246 0.000 0.850 152 S CB 2.112 65.539 63.200 0.378 0.000 1.118 152 S HN 1.385 nan 8.310 nan 0.000 0.461 153 S N 2.058 117.851 115.700 0.155 0.000 2.579 153 S HA 0.697 5.109 4.470 -0.096 0.000 0.290 153 S C -1.981 172.681 174.600 0.104 0.000 1.123 153 S CA -0.361 57.904 58.200 0.109 0.000 0.894 153 S CB 0.381 63.618 63.200 0.061 0.000 1.095 153 S HN 1.530 nan 8.310 nan 0.000 0.450 154 N N 0.614 119.375 118.700 0.101 0.000 4.713 154 N HA 0.192 4.874 4.740 -0.096 0.000 0.202 154 N C -1.387 174.185 175.510 0.103 0.000 1.194 154 N CA -0.899 52.209 53.050 0.097 0.000 0.865 154 N CB 0.303 38.860 38.487 0.117 0.000 1.525 154 N HN 0.401 nan 8.380 nan 0.000 0.518 155 S N -0.174 115.575 115.700 0.083 0.000 2.558 155 S HA 0.299 4.711 4.470 -0.096 0.000 0.291 155 S C -0.337 174.336 174.600 0.122 0.000 1.306 155 S CA -0.396 57.850 58.200 0.077 0.000 1.056 155 S CB 0.165 63.401 63.200 0.060 0.000 0.836 155 S HN 0.396 nan 8.310 nan 0.000 0.504 156 V N 4.151 124.129 119.914 0.107 0.000 2.487 156 V HA 0.240 4.302 4.120 -0.096 0.000 0.298 156 V C -0.663 175.454 176.094 0.039 0.000 1.028 156 V CA -0.978 61.404 62.300 0.136 0.000 0.860 156 V CB 2.012 33.977 31.823 0.236 0.000 0.991 156 V HN 0.768 nan 8.190 nan 0.000 0.427 157 D N 5.305 125.684 120.400 -0.035 0.000 2.336 157 D HA 0.185 4.767 4.640 -0.096 0.000 0.249 157 D C 1.045 177.143 176.300 -0.338 0.000 1.213 157 D CA -0.123 53.800 54.000 -0.128 0.000 0.870 157 D CB 1.848 42.581 40.800 -0.111 0.000 1.076 157 D HN 0.355 nan 8.370 nan 0.000 0.483 158 L N 1.980 123.077 121.223 -0.210 0.000 2.549 158 L HA -0.117 4.165 4.340 -0.096 0.000 0.229 158 L C 1.324 177.985 176.870 -0.349 0.000 1.158 158 L CA 0.560 55.272 54.840 -0.214 0.000 0.842 158 L CB -0.045 42.017 42.059 0.006 0.000 0.952 158 L HN 0.202 nan 8.230 nan 0.000 0.452 159 N N -0.676 117.822 118.700 -0.336 0.000 2.392 159 N HA 0.043 4.725 4.740 -0.096 0.000 0.177 159 N C -0.346 174.942 175.510 -0.369 0.000 1.066 159 N CA 0.408 53.303 53.050 -0.259 0.000 0.895 159 N CB 0.585 39.001 38.487 -0.118 0.000 0.988 159 N HN 0.095 nan 8.380 nan 0.000 0.457 160 F N 0.508 119.943 119.950 -0.858 0.000 2.653 160 F HA 0.386 4.850 4.527 -0.105 0.000 0.327 160 F C -1.578 173.542 175.800 -1.133 0.000 1.195 160 F CA -1.081 56.408 58.000 -0.852 0.000 0.993 160 F CB 0.762 39.391 39.000 -0.618 0.000 1.259 160 F HN -0.296 nan 8.300 nan 0.000 0.478 161 F N 3.631 123.057 119.950 -0.874 0.000 2.507 161 F HA 0.513 4.981 4.527 -0.099 0.000 0.327 161 F C -0.923 174.299 175.800 -0.963 0.000 1.068 161 F CA -1.013 56.534 58.000 -0.756 0.000 0.965 161 F CB 1.123 39.664 39.000 -0.765 0.000 1.192 161 F HN 0.333 nan 8.300 nan 0.000 0.476 162 W N 3.344 124.551 121.300 -0.156 0.000 2.433 162 W HA 0.479 5.130 4.660 -0.014 0.000 0.315 162 W C -2.096 174.357 176.519 -0.109 0.000 1.087 162 W CA -1.920 55.373 57.345 -0.088 0.000 1.205 162 W CB 0.825 30.338 29.460 0.088 0.000 1.288 162 W HN 0.201 nan 8.180 nan 0.000 0.504 163 P HA -0.083 nan 4.420 nan 0.000 0.269 163 P C -1.360 176.021 177.300 0.134 0.000 1.209 163 P CA 0.031 63.186 63.100 0.092 0.000 0.776 163 P CB 0.845 32.575 31.700 0.051 0.000 0.876 164 Y N 2.599 122.866 120.300 -0.055 0.000 2.335 164 Y HA 0.270 4.771 4.550 -0.082 0.000 0.339 164 Y C 0.111 175.849 175.900 -0.270 0.000 0.987 164 Y CA -0.617 57.326 58.100 -0.261 0.000 1.140 164 Y CB 0.803 38.819 38.460 -0.740 0.000 1.173 164 Y HN 0.251 nan 8.280 nan 0.000 0.486 165 N N 7.775 126.086 118.700 -0.649 0.000 2.420 165 N HA 0.213 4.895 4.740 -0.096 0.000 0.249 165 N C -1.066 174.217 175.510 -0.379 0.000 1.033 165 N CA -0.186 52.629 53.050 -0.393 0.000 0.944 165 N CB 1.265 39.583 38.487 -0.281 0.000 1.113 165 N HN 0.704 nan 8.380 nan 0.000 0.502 166 L N 4.349 125.469 121.223 -0.171 0.000 2.418 166 L HA 0.226 4.509 4.340 -0.096 0.000 0.274 166 L C -1.846 174.995 176.870 -0.050 0.000 1.135 166 L CA -1.464 53.321 54.840 -0.092 0.000 0.870 166 L CB 0.114 42.101 42.059 -0.121 0.000 1.154 166 L HN 0.190 nan 8.230 nan 0.000 0.462 167 P HA -0.000 nan 4.420 nan 0.000 0.269 167 P C 0.058 177.383 177.300 0.043 0.000 1.209 167 P CA -0.230 62.884 63.100 0.023 0.000 0.776 167 P CB 0.638 32.381 31.700 0.072 0.000 0.876 168 D N 0.983 121.401 120.400 0.031 0.000 2.149 168 D HA -0.090 4.492 4.640 -0.096 0.000 0.198 168 D C 0.547 176.882 176.300 0.057 0.000 0.990 168 D CA 1.466 55.489 54.000 0.037 0.000 0.839 168 D CB 0.105 40.919 40.800 0.023 0.000 0.948 168 D HN 0.314 nan 8.370 nan 0.000 0.460 169 L N 1.040 122.302 121.223 0.065 0.000 2.305 169 L HA 0.472 4.754 4.340 -0.096 0.000 0.284 169 L C -0.231 176.710 176.870 0.118 0.000 1.013 169 L CA -0.509 54.380 54.840 0.081 0.000 0.819 169 L CB 2.527 44.624 42.059 0.063 0.000 1.227 169 L HN -0.249 nan 8.230 nan 0.000 0.417 170 V N 1.744 121.750 119.914 0.154 0.000 3.206 170 V HA 0.514 4.576 4.120 -0.096 0.000 0.305 170 V C -0.505 175.734 176.094 0.241 0.000 1.257 170 V CA -0.482 61.962 62.300 0.239 0.000 1.057 170 V CB 3.075 35.087 31.823 0.315 0.000 1.075 170 V HN 0.832 nan 8.190 nan 0.000 0.443 171 S N 3.542 119.415 115.700 0.290 0.000 2.545 171 S HA 0.647 5.059 4.470 -0.096 0.000 0.275 171 S C -0.622 174.181 174.600 0.339 0.000 1.299 171 S CA -0.489 57.837 58.200 0.210 0.000 1.048 171 S CB 0.491 63.724 63.200 0.055 0.000 0.938 171 S HN 0.629 nan 8.310 nan 0.000 0.496 172 L N 3.472 124.833 121.223 0.229 0.000 2.307 172 L HA 0.781 5.063 4.340 -0.096 0.000 0.282 172 L C 1.003 177.996 176.870 0.206 0.000 1.051 172 L CA -0.037 54.953 54.840 0.249 0.000 0.804 172 L CB 0.761 42.924 42.059 0.174 0.000 1.197 172 L HN 1.165 nan 8.230 nan 0.000 0.431 173 G N 1.530 110.485 108.800 0.258 0.000 2.270 173 G HA2 -0.078 3.824 3.960 -0.096 0.000 0.268 173 G HA3 -0.078 3.824 3.960 -0.096 0.000 0.268 173 G C -0.847 174.193 174.900 0.233 0.000 1.312 173 G CA -0.857 44.352 45.100 0.180 0.000 1.050 173 G HN 0.387 nan 8.290 nan 0.000 0.474 174 T N 1.574 116.197 114.554 0.115 0.000 2.738 174 T HA 0.471 4.763 4.350 -0.096 0.000 0.294 174 T C -0.278 174.409 174.700 -0.023 0.000 0.914 174 T CA 0.214 62.357 62.100 0.071 0.000 1.052 174 T CB 0.157 69.055 68.868 0.050 0.000 0.897 174 T HN 0.417 nan 8.240 nan 0.000 0.522 175 W N 2.989 123.999 121.300 -0.484 0.000 2.166 175 W HA 0.568 5.169 4.660 -0.100 0.000 0.364 175 W C 0.914 176.999 176.519 -0.724 0.000 1.344 175 W CA -1.074 55.875 57.345 -0.661 0.000 1.471 175 W CB 0.547 29.328 29.460 -1.133 0.000 1.220 175 W HN 0.522 nan 8.180 nan 0.000 0.666 176 R N 0.653 120.919 120.500 -0.391 0.000 2.698 176 R HA 0.752 5.035 4.340 -0.096 0.000 0.275 176 R C -1.739 174.293 176.300 -0.446 0.000 1.001 176 R CA -0.744 55.030 56.100 -0.544 0.000 0.896 176 R CB 1.114 31.010 30.300 -0.673 0.000 1.218 176 R HN 0.552 nan 8.270 nan 0.000 0.462 177 I N 2.349 122.606 120.570 -0.521 0.000 2.433 177 I HA 0.439 4.552 4.170 -0.096 0.000 0.292 177 I C -0.561 175.262 176.117 -0.491 0.000 1.001 177 I CA -1.360 59.542 61.300 -0.663 0.000 1.119 177 I CB 2.204 39.656 38.000 -0.914 0.000 1.289 177 I HN 0.291 nan 8.210 nan 0.000 0.438 178 V N 4.407 124.071 119.914 -0.416 0.000 2.628 178 V HA 0.821 4.883 4.120 -0.096 0.000 0.306 178 V C 0.019 175.983 176.094 -0.218 0.000 1.045 178 V CA -0.536 61.602 62.300 -0.269 0.000 0.905 178 V CB 1.739 33.436 31.823 -0.211 0.000 0.997 178 V HN 0.866 nan 8.190 nan 0.000 0.436 179 A N 4.790 127.527 122.820 -0.139 0.000 2.371 179 A HA 0.965 5.227 4.320 -0.096 0.000 0.311 179 A C -0.602 176.918 177.584 -0.107 0.000 1.068 179 A CA -0.679 51.285 52.037 -0.121 0.000 0.744 179 A CB 1.491 20.426 19.000 -0.108 0.000 1.239 179 A HN 0.992 nan 8.150 nan 0.000 0.435 180 K N 0.857 121.170 120.400 -0.146 0.000 2.607 180 K HA 0.594 4.856 4.320 -0.096 0.000 0.287 180 K C -1.727 174.746 176.600 -0.212 0.000 0.996 180 K CA -0.854 55.360 56.287 -0.121 0.000 0.876 180 K CB 0.697 33.175 32.500 -0.036 0.000 1.496 180 K HN 0.422 nan 8.250 nan 0.000 0.415 181 Y N 1.340 121.630 120.300 -0.016 0.000 2.300 181 Y HA 0.112 4.605 4.550 -0.094 0.000 0.328 181 Y C 1.745 177.595 175.900 -0.084 0.000 1.270 181 Y CA -0.151 57.937 58.100 -0.021 0.000 1.352 181 Y CB 0.913 39.387 38.460 0.023 0.000 1.286 181 Y HN 0.791 nan 8.280 nan 0.000 0.536 182 E N 0.096 120.310 120.200 0.023 0.000 2.086 182 E HA -0.230 4.062 4.350 -0.096 0.000 0.200 182 E C 0.194 176.522 176.600 -0.454 0.000 1.012 182 E CA 1.504 57.764 56.400 -0.234 0.000 0.812 182 E CB -0.055 29.482 29.700 -0.271 0.000 0.743 182 E HN 0.549 nan 8.360 nan 0.000 0.453 183 H N -1.066 117.896 119.070 -0.180 0.000 2.528 183 H HA 0.306 4.805 4.556 -0.095 0.000 0.256 183 H C -0.803 174.250 175.328 -0.458 0.000 1.204 183 H CA -0.092 55.744 56.048 -0.353 0.000 0.955 183 H CB 0.610 30.083 29.762 -0.482 0.000 1.817 183 H HN -0.093 nan 8.280 nan 0.000 0.579 184 S N 1.349 116.997 115.700 -0.088 0.000 2.501 184 S HA 0.383 4.796 4.470 -0.096 0.000 0.301 184 S C -1.642 172.992 174.600 0.057 0.000 1.096 184 S CA -1.306 56.928 58.200 0.056 0.000 1.063 184 S CB 1.660 64.966 63.200 0.177 0.000 1.042 184 S HN 0.106 nan 8.310 nan 0.000 0.494 185 P HA 0.177 nan 4.420 nan 0.000 0.245 185 P C -0.349 176.985 177.300 0.055 0.000 1.199 185 P CA 0.231 63.367 63.100 0.060 0.000 0.807 185 P CB 0.139 31.880 31.700 0.069 0.000 1.002 186 E N 1.363 121.610 120.200 0.079 0.000 2.202 186 E HA 0.449 4.741 4.350 -0.096 0.000 0.272 186 E C -0.824 175.818 176.600 0.071 0.000 0.951 186 E CA -0.701 55.740 56.400 0.069 0.000 0.813 186 E CB 1.514 31.264 29.700 0.084 0.000 1.151 186 E HN 0.045 nan 8.360 nan 0.000 0.398 187 N N 0.112 118.840 118.700 0.045 0.000 2.934 187 N HA 0.284 4.966 4.740 -0.096 0.000 0.253 187 N C -1.944 173.590 175.510 0.040 0.000 1.466 187 N CA -0.870 52.199 53.050 0.031 0.000 0.858 187 N CB 0.779 39.252 38.487 -0.022 0.000 1.459 187 N HN 0.569 nan 8.380 nan 0.000 0.532 188 Y N -0.255 119.985 120.300 -0.100 0.000 2.341 188 Y HA 0.611 5.102 4.550 -0.098 0.000 0.337 188 Y C -0.930 174.881 175.900 -0.149 0.000 1.014 188 Y CA -0.186 57.841 58.100 -0.122 0.000 1.111 188 Y CB 1.715 40.059 38.460 -0.194 0.000 1.194 188 Y HN 0.613 nan 8.280 nan 0.000 0.462 189 T N 5.462 119.678 114.554 -0.564 0.000 2.807 189 T HA 0.798 5.090 4.350 -0.096 0.000 0.279 189 T C -0.888 173.463 174.700 -0.582 0.000 0.993 189 T CA -0.594 61.203 62.100 -0.505 0.000 0.970 189 T CB 1.160 69.730 68.868 -0.497 0.000 0.950 189 T HN 0.762 nan 8.240 nan 0.000 0.441 190 A N 2.730 125.287 122.820 -0.439 0.000 2.384 190 A HA 0.895 5.157 4.320 -0.096 0.000 0.312 190 A C -1.695 175.590 177.584 -0.499 0.000 1.113 190 A CA -0.746 51.143 52.037 -0.247 0.000 0.779 190 A CB 1.033 20.062 19.000 0.048 0.000 1.307 190 A HN 0.775 nan 8.150 nan 0.000 0.436 191 Y N -0.514 119.619 120.300 -0.278 0.000 2.562 191 Y HA 0.722 5.215 4.550 -0.095 0.000 0.343 191 Y C -0.324 175.391 175.900 -0.309 0.000 1.025 191 Y CA -0.680 57.078 58.100 -0.569 0.000 1.082 191 Y CB 1.975 39.716 38.460 -1.198 0.000 1.264 191 Y HN 0.742 nan 8.280 nan 0.000 0.478 192 F N -1.583 118.312 119.950 -0.091 0.000 2.665 192 F HA 0.636 5.105 4.527 -0.097 0.000 0.308 192 F C -1.720 174.235 175.800 0.258 0.000 1.112 192 F CA -1.249 56.864 58.000 0.189 0.000 0.972 192 F CB 1.168 40.337 39.000 0.282 0.000 1.295 192 F HN 0.213 nan 8.300 nan 0.000 0.440 193 D N 1.437 122.140 120.400 0.505 0.000 2.229 193 D HA 0.601 5.183 4.640 -0.096 0.000 0.249 193 D C -0.905 175.646 176.300 0.419 0.000 1.027 193 D CA -0.322 53.888 54.000 0.351 0.000 0.923 193 D CB 2.333 43.282 40.800 0.249 0.000 1.174 193 D HN 0.495 nan 8.370 nan 0.000 0.443 194 V N 3.000 123.113 119.914 0.332 0.000 2.350 194 V HA 0.468 4.530 4.120 -0.096 0.000 0.285 194 V C 0.086 176.341 176.094 0.269 0.000 1.014 194 V CA -0.569 61.917 62.300 0.310 0.000 0.831 194 V CB 0.797 32.757 31.823 0.228 0.000 1.000 194 V HN 0.349 nan 8.190 nan 0.000 0.433 195 R N 2.970 123.640 120.500 0.282 0.000 2.795 195 R HA 0.512 4.794 4.340 -0.096 0.000 0.275 195 R C -0.685 175.813 176.300 0.329 0.000 0.981 195 R CA -1.029 55.225 56.100 0.257 0.000 0.917 195 R CB 2.741 33.145 30.300 0.173 0.000 1.202 195 R HN 0.491 nan 8.270 nan 0.000 0.469 196 K N 2.834 123.370 120.400 0.226 0.000 2.155 196 K HA 0.092 4.354 4.320 -0.096 0.000 0.240 196 K C -0.873 175.842 176.600 0.192 0.000 1.193 196 K CA 0.104 56.491 56.287 0.168 0.000 1.104 196 K CB -0.181 32.384 32.500 0.108 0.000 1.558 196 K HN 0.411 nan 8.250 nan 0.000 0.313 197 Y N -1.481 118.846 120.300 0.045 0.000 2.524 197 Y HA 0.572 5.064 4.550 -0.097 0.000 0.344 197 Y C -0.377 175.538 175.900 0.026 0.000 1.012 197 Y CA -1.621 56.498 58.100 0.031 0.000 1.068 197 Y CB 0.990 39.465 38.460 0.026 0.000 1.249 197 Y HN -0.033 nan 8.280 nan 0.000 0.468 198 V N 1.931 121.837 119.914 -0.013 0.000 2.483 198 V HA 0.446 4.508 4.120 -0.096 0.000 0.295 198 V C -0.265 175.890 176.094 0.102 0.000 1.035 198 V CA -1.133 61.120 62.300 -0.077 0.000 0.896 198 V CB 1.150 32.967 31.823 -0.010 0.000 0.986 198 V HN 0.787 nan 8.190 nan 0.000 0.447 199 L N 6.946 128.211 121.223 0.070 0.000 2.540 199 L HA 0.331 4.613 4.340 -0.096 0.000 0.276 199 L C -1.535 175.395 176.870 0.100 0.000 1.212 199 L CA -0.433 54.496 54.840 0.149 0.000 0.893 199 L CB -0.300 41.827 42.059 0.114 0.000 1.138 199 L HN 0.698 nan 8.230 nan 0.000 0.491 200 P HA 0.223 nan 4.420 nan 0.000 0.279 200 P C 0.082 177.440 177.300 0.097 0.000 1.252 200 P CA -0.548 62.569 63.100 0.028 0.000 0.811 200 P CB 0.965 32.573 31.700 -0.153 0.000 1.035 201 S N 0.247 116.093 115.700 0.243 0.000 2.527 201 S HA 0.111 4.523 4.470 -0.096 0.000 0.222 201 S C 0.498 175.361 174.600 0.437 0.000 0.985 201 S CA -0.110 58.315 58.200 0.376 0.000 0.921 201 S CB -0.969 62.534 63.200 0.505 0.000 0.772 201 S HN 0.495 nan 8.310 nan 0.000 0.529 202 F N 1.029 120.991 119.950 0.019 0.000 2.599 202 F HA 0.773 5.243 4.527 -0.096 0.000 0.311 202 F C -0.730 175.021 175.800 -0.081 0.000 1.076 202 F CA -1.891 56.041 58.000 -0.114 0.000 0.937 202 F CB 0.819 39.607 39.000 -0.354 0.000 1.282 202 F HN 0.135 nan 8.300 nan 0.000 0.460 203 E N 1.331 121.525 120.200 -0.011 0.000 2.277 203 E HA 0.629 4.921 4.350 -0.096 0.000 0.274 203 E C -1.497 175.092 176.600 -0.019 0.000 1.022 203 E CA -1.028 55.325 56.400 -0.079 0.000 0.853 203 E CB 2.084 31.761 29.700 -0.039 0.000 1.086 203 E HN 0.516 nan 8.360 nan 0.000 0.397 204 V N 3.195 123.065 119.914 -0.072 0.000 2.384 204 V HA 0.376 4.438 4.120 -0.096 0.000 0.287 204 V C -0.173 175.907 176.094 -0.024 0.000 1.020 204 V CA -0.745 61.547 62.300 -0.013 0.000 0.850 204 V CB 1.020 32.833 31.823 -0.018 0.000 0.987 204 V HN 0.640 nan 8.190 nan 0.000 0.436 205 R N 4.737 125.230 120.500 -0.012 0.000 2.589 205 R HA 0.805 5.087 4.340 -0.096 0.000 0.293 205 R C -1.273 175.020 176.300 -0.011 0.000 0.963 205 R CA -0.622 55.470 56.100 -0.013 0.000 0.905 205 R CB 1.938 32.230 30.300 -0.012 0.000 1.144 205 R HN 0.571 nan 8.270 nan 0.000 0.459 206 L N 1.826 123.044 121.223 -0.010 0.000 2.346 206 L HA 0.480 4.762 4.340 -0.096 0.000 0.274 206 L C -0.554 176.314 176.870 -0.004 0.000 1.007 206 L CA -1.020 53.817 54.840 -0.006 0.000 0.818 206 L CB 1.977 44.035 42.059 -0.001 0.000 1.284 206 L HN 0.394 nan 8.230 nan 0.000 0.424 207 Q N 4.183 123.976 119.800 -0.011 0.000 2.339 207 Q HA 0.432 4.714 4.340 -0.096 0.000 0.268 207 Q C -2.594 173.379 176.000 -0.045 0.000 1.027 207 Q CA -1.766 54.023 55.803 -0.023 0.000 0.759 207 Q CB 2.072 30.789 28.738 -0.034 0.000 1.244 207 Q HN 0.175 nan 8.270 nan 0.000 0.464 208 P HA 0.066 nan 4.420 nan 0.000 0.278 208 P C 0.123 177.267 177.300 -0.260 0.000 1.238 208 P CA -0.076 62.953 63.100 -0.119 0.000 0.794 208 P CB 1.575 33.313 31.700 0.064 0.000 0.955 209 S N 1.331 116.707 115.700 -0.540 0.000 2.370 209 S HA -0.117 4.295 4.470 -0.096 0.000 0.226 209 S C 0.654 175.038 174.600 -0.360 0.000 1.033 209 S CA 1.096 59.028 58.200 -0.447 0.000 1.011 209 S CB -0.418 62.427 63.200 -0.591 0.000 0.852 209 S HN 0.520 nan 8.310 nan 0.000 0.457 210 E N -0.426 119.531 120.200 -0.405 0.000 2.429 210 E HA 0.449 4.741 4.350 -0.096 0.000 0.276 210 E C -0.608 175.889 176.600 -0.171 0.000 0.953 210 E CA -0.684 55.501 56.400 -0.358 0.000 0.787 210 E CB 1.569 30.824 29.700 -0.742 0.000 1.307 210 E HN -0.006 nan 8.360 nan 0.000 0.458 211 K N 0.329 120.645 120.400 -0.140 0.000 2.487 211 K HA 0.136 4.398 4.320 -0.096 0.000 0.192 211 K C -0.350 176.342 176.600 0.154 0.000 1.027 211 K CA 0.320 56.642 56.287 0.059 0.000 1.054 211 K CB -0.196 32.375 32.500 0.119 0.000 0.824 211 K HN 0.351 nan 8.250 nan 0.000 0.510 212 F N -3.567 116.409 119.950 0.043 0.000 2.711 212 F HA 0.574 5.044 4.527 -0.096 0.000 0.313 212 F C -1.512 174.309 175.800 0.035 0.000 1.141 212 F CA -1.926 56.065 58.000 -0.016 0.000 0.941 212 F CB 0.809 39.711 39.000 -0.163 0.000 1.349 212 F HN -0.240 nan 8.300 nan 0.000 0.464 213 F N 1.978 121.918 119.950 -0.016 0.000 2.557 213 F HA 0.575 5.044 4.527 -0.096 0.000 0.316 213 F C -1.656 174.139 175.800 -0.009 0.000 1.141 213 F CA -1.889 56.011 58.000 -0.166 0.000 0.922 213 F CB 1.280 40.044 39.000 -0.394 0.000 1.194 213 F HN 0.453 nan 8.300 nan 0.000 0.443 214 Y N 6.696 126.882 120.300 -0.190 0.000 2.496 214 Y HA 0.173 4.665 4.550 -0.096 0.000 0.334 214 Y C 1.605 177.267 175.900 -0.396 0.000 1.080 214 Y CA -0.231 57.742 58.100 -0.212 0.000 1.355 214 Y CB 0.319 38.699 38.460 -0.133 0.000 1.193 214 Y HN 0.537 nan 8.280 nan 0.000 0.523 215 I N 1.134 121.693 120.570 -0.018 0.000 2.300 215 I HA -0.302 3.811 4.170 -0.096 0.000 0.252 215 I C 0.719 176.823 176.117 -0.022 0.000 1.119 215 I CA 1.812 63.099 61.300 -0.022 0.000 1.384 215 I CB -0.221 37.786 38.000 0.012 0.000 1.062 215 I HN 0.548 nan 8.210 nan 0.000 0.426 216 D N -0.155 120.221 120.400 -0.040 0.000 2.819 216 D HA 0.259 4.841 4.640 -0.096 0.000 0.326 216 D C 0.306 176.559 176.300 -0.078 0.000 1.408 216 D CA -0.276 53.697 54.000 -0.045 0.000 0.811 216 D CB -0.325 40.446 40.800 -0.049 0.000 1.148 216 D HN 0.146 nan 8.370 nan 0.000 0.457 217 G N 0.252 108.999 108.800 -0.087 0.000 2.557 217 G HA2 0.364 4.266 3.960 -0.096 0.000 0.302 217 G HA3 0.364 4.266 3.960 -0.096 0.000 0.302 217 G C 0.536 175.406 174.900 -0.049 0.000 1.311 217 G CA -0.935 44.129 45.100 -0.061 0.000 1.030 217 G HN 0.242 nan 8.290 nan 0.000 0.509 218 N N -0.373 118.323 118.700 -0.005 0.000 2.299 218 N HA 0.029 4.711 4.740 -0.096 0.000 0.246 218 N C -0.183 175.353 175.510 0.044 0.000 1.254 218 N CA -0.333 52.726 53.050 0.015 0.000 0.879 218 N CB 0.966 39.462 38.487 0.016 0.000 1.214 218 N HN 0.642 nan 8.380 nan 0.000 0.510 219 E N 1.282 121.521 120.200 0.066 0.000 2.319 219 E HA 0.227 4.519 4.350 -0.096 0.000 0.268 219 E C -0.647 176.024 176.600 0.119 0.000 1.050 219 E CA -0.386 56.070 56.400 0.093 0.000 0.878 219 E CB 1.044 30.816 29.700 0.119 0.000 1.066 219 E HN -0.031 nan 8.360 nan 0.000 0.406 220 N N 1.108 119.826 118.700 0.030 0.000 2.424 220 N HA 0.263 4.945 4.740 -0.096 0.000 0.257 220 N C -1.036 174.298 175.510 -0.293 0.000 1.250 220 N CA -0.178 52.808 53.050 -0.107 0.000 0.946 220 N CB 0.313 38.686 38.487 -0.190 0.000 1.175 220 N HN 0.441 nan 8.380 nan 0.000 0.477 221 F N 0.887 120.432 119.950 -0.675 0.000 2.482 221 F HA 0.324 4.793 4.527 -0.096 0.000 0.331 221 F C -0.202 175.145 175.800 -0.756 0.000 1.115 221 F CA -0.586 56.953 58.000 -0.768 0.000 0.955 221 F CB 0.845 39.253 39.000 -0.987 0.000 1.136 221 F HN 0.347 nan 8.300 nan 0.000 0.452 222 H N 4.482 123.132 119.070 -0.700 0.000 2.569 222 H HA 0.680 5.178 4.556 -0.096 0.000 0.357 222 H C -1.142 173.980 175.328 -0.344 0.000 1.153 222 H CA -0.932 54.904 56.048 -0.352 0.000 1.193 222 H CB 2.090 31.690 29.762 -0.270 0.000 1.602 222 H HN 0.343 nan 8.280 nan 0.000 0.523 223 V N 1.868 121.822 119.914 0.068 0.000 2.525 223 V HA 0.148 4.211 4.120 -0.096 0.000 0.299 223 V C 0.123 176.227 176.094 0.017 0.000 1.034 223 V CA -0.696 61.627 62.300 0.038 0.000 0.863 223 V CB 1.769 33.659 31.823 0.111 0.000 0.999 223 V HN 0.725 nan 8.190 nan 0.000 0.423 224 S N 5.654 121.341 115.700 -0.022 0.000 2.465 224 S HA 0.594 5.006 4.470 -0.096 0.000 0.279 224 S C -0.148 174.439 174.600 -0.021 0.000 1.201 224 S CA -0.230 57.953 58.200 -0.029 0.000 1.053 224 S CB 0.301 63.474 63.200 -0.045 0.000 0.953 224 S HN 0.518 nan 8.310 nan 0.000 0.488 225 I N 3.144 123.701 120.570 -0.021 0.000 2.331 225 I HA 0.275 4.387 4.170 -0.096 0.000 0.292 225 I C 0.272 176.375 176.117 -0.023 0.000 0.998 225 I CA -0.169 61.120 61.300 -0.019 0.000 1.267 225 I CB 1.519 39.509 38.000 -0.018 0.000 1.386 225 I HN 0.376 nan 8.210 nan 0.000 0.476 226 T N 5.642 120.185 114.554 -0.018 0.000 2.786 226 T HA 0.674 4.966 4.350 -0.096 0.000 0.283 226 T C -0.434 174.260 174.700 -0.009 0.000 0.992 226 T CA -0.544 61.543 62.100 -0.022 0.000 0.954 226 T CB 1.368 70.223 68.868 -0.022 0.000 0.934 226 T HN 0.660 nan 8.240 nan 0.000 0.440 227 A N 4.032 126.837 122.820 -0.024 0.000 2.332 227 A HA 0.796 5.058 4.320 -0.096 0.000 0.300 227 A C -0.253 177.270 177.584 -0.102 0.000 1.153 227 A CA -0.825 51.211 52.037 -0.002 0.000 0.764 227 A CB 0.908 19.917 19.000 0.016 0.000 1.174 227 A HN 0.785 nan 8.150 nan 0.000 0.467 228 R N 2.594 123.052 120.500 -0.071 0.000 2.628 228 R HA 0.560 4.842 4.340 -0.096 0.000 0.288 228 R C -1.464 174.747 176.300 -0.148 0.000 0.980 228 R CA -0.547 55.473 56.100 -0.134 0.000 0.891 228 R CB 0.940 31.201 30.300 -0.065 0.000 1.188 228 R HN 0.637 nan 8.270 nan 0.000 0.450 229 Y N 2.855 123.042 120.300 -0.189 0.000 2.607 229 Y HA -0.065 4.427 4.550 -0.097 0.000 0.348 229 Y C 1.560 177.246 175.900 -0.356 0.000 1.261 229 Y CA 0.370 58.267 58.100 -0.340 0.000 1.480 229 Y CB 0.522 38.465 38.460 -0.860 0.000 1.358 229 Y HN 0.571 nan 8.280 nan 0.000 0.630 230 L N 0.957 122.143 121.223 -0.061 0.000 2.362 230 L HA -0.218 4.064 4.340 -0.096 0.000 0.219 230 L C 1.306 178.196 176.870 0.034 0.000 1.134 230 L CA 1.020 55.864 54.840 0.006 0.000 0.807 230 L CB -0.497 41.620 42.059 0.097 0.000 0.927 230 L HN 0.812 nan 8.230 nan 0.000 0.447 231 Y N -3.089 117.275 120.300 0.107 0.000 2.478 231 Y HA 0.548 5.040 4.550 -0.097 0.000 0.261 231 Y C 1.599 177.534 175.900 0.058 0.000 1.127 231 Y CA 0.159 58.294 58.100 0.058 0.000 1.288 231 Y CB 0.014 38.491 38.460 0.030 0.000 1.084 231 Y HN -0.042 nan 8.280 nan 0.000 0.530 232 G N -0.340 108.407 108.800 -0.088 0.000 3.134 232 G HA2 -0.220 3.682 3.960 -0.096 0.000 0.195 232 G HA3 -0.220 3.682 3.960 -0.096 0.000 0.195 232 G C -0.105 174.799 174.900 0.007 0.000 1.054 232 G CA -0.213 44.892 45.100 0.008 0.000 0.828 232 G HN 0.312 nan 8.290 nan 0.000 0.462 233 E N 1.907 122.132 120.200 0.041 0.000 2.425 233 E HA 0.382 4.674 4.350 -0.096 0.000 0.258 233 E C 0.420 177.075 176.600 0.092 0.000 1.151 233 E CA -0.015 56.454 56.400 0.115 0.000 0.958 233 E CB 0.303 30.134 29.700 0.218 0.000 0.968 233 E HN 0.368 nan 8.360 nan 0.000 0.451 234 E N 0.956 121.196 120.200 0.066 0.000 2.373 234 E HA 0.189 4.481 4.350 -0.096 0.000 0.263 234 E C -0.450 176.114 176.600 -0.059 0.000 1.073 234 E CA -0.492 55.893 56.400 -0.024 0.000 0.894 234 E CB 1.091 30.777 29.700 -0.024 0.000 1.008 234 E HN 0.262 nan 8.360 nan 0.000 0.420 235 V N 2.407 122.142 119.914 -0.299 0.000 2.567 235 V HA 0.113 4.175 4.120 -0.096 0.000 0.289 235 V C 0.431 176.374 176.094 -0.252 0.000 1.049 235 V CA -0.450 61.554 62.300 -0.493 0.000 0.969 235 V CB 1.330 32.611 31.823 -0.903 0.000 0.995 235 V HN 0.501 nan 8.190 nan 0.000 0.471 236 E N 2.168 122.263 120.200 -0.175 0.000 2.191 236 E HA 0.785 5.077 4.350 -0.096 0.000 0.274 236 E C 0.287 176.797 176.600 -0.150 0.000 0.948 236 E CA 0.115 56.442 56.400 -0.121 0.000 0.802 236 E CB 2.122 31.792 29.700 -0.050 0.000 1.137 236 E HN 0.956 nan 8.360 nan 0.000 0.397 237 G N 0.124 108.850 108.800 -0.124 0.000 2.368 237 G HA2 0.259 4.161 3.960 -0.096 0.000 0.269 237 G HA3 0.259 4.161 3.960 -0.096 0.000 0.269 237 G C -1.190 173.642 174.900 -0.112 0.000 1.291 237 G CA -0.120 44.915 45.100 -0.108 0.000 0.903 237 G HN 0.582 nan 8.290 nan 0.000 0.483 238 V N -2.446 117.395 119.914 -0.122 0.000 3.001 238 V HA 1.024 5.087 4.120 -0.096 0.000 0.314 238 V C 0.076 176.022 176.094 -0.247 0.000 1.099 238 V CA -0.054 62.122 62.300 -0.206 0.000 0.989 238 V CB 1.370 33.024 31.823 -0.282 0.000 1.040 238 V HN 2.583 nan 8.190 nan 0.000 0.434 239 A N 2.418 125.036 122.820 -0.336 0.000 2.401 239 A HA 0.936 5.198 4.320 -0.096 0.000 0.310 239 A C -1.330 175.981 177.584 -0.455 0.000 1.075 239 A CA -0.557 51.321 52.037 -0.265 0.000 0.746 239 A CB 1.431 20.371 19.000 -0.100 0.000 1.277 239 A HN 0.903 nan 8.150 nan 0.000 0.425 240 F N 1.352 121.306 119.950 0.006 0.000 2.427 240 F HA 0.548 5.018 4.527 -0.096 0.000 0.348 240 F C -0.122 175.662 175.800 -0.027 0.000 1.125 240 F CA -0.595 57.406 58.000 0.001 0.000 0.989 240 F CB 2.275 41.280 39.000 0.008 0.000 1.165 240 F HN 0.277 nan 8.300 nan 0.000 0.442 241 V N 4.864 124.839 119.914 0.102 0.000 2.540 241 V HA 0.558 4.621 4.120 -0.096 0.000 0.302 241 V C -0.969 175.092 176.094 -0.055 0.000 1.035 241 V CA -0.775 61.492 62.300 -0.056 0.000 0.873 241 V CB 2.119 33.841 31.823 -0.169 0.000 0.992 241 V HN 0.570 nan 8.190 nan 0.000 0.428 242 L N 4.814 125.957 121.223 -0.132 0.000 2.410 242 L HA 0.749 5.031 4.340 -0.096 0.000 0.270 242 L C -1.251 175.508 176.870 -0.184 0.000 0.983 242 L CA 0.057 54.875 54.840 -0.036 0.000 0.822 242 L CB 1.593 43.687 42.059 0.057 0.000 1.285 242 L HN 0.453 nan 8.230 nan 0.000 0.409 243 F N 3.056 122.986 119.950 -0.034 0.000 2.399 243 F HA 0.878 5.347 4.527 -0.096 0.000 0.328 243 F C 1.041 176.628 175.800 -0.356 0.000 1.084 243 F CA 0.320 58.206 58.000 -0.191 0.000 1.053 243 F CB 1.870 40.788 39.000 -0.137 0.000 1.209 243 F HN 0.621 nan 8.300 nan 0.000 0.502 244 G N 0.216 108.578 108.800 -0.731 0.000 2.782 244 G HA2 0.626 4.528 3.960 -0.096 0.000 0.304 244 G HA3 0.626 4.528 3.960 -0.096 0.000 0.304 244 G C -2.197 172.322 174.900 -0.635 0.000 1.315 244 G CA -0.708 43.925 45.100 -0.779 0.000 0.791 244 G HN 0.482 nan 8.290 nan 0.000 0.519 245 V N 0.416 120.239 119.914 -0.153 0.000 2.638 245 V HA 0.548 4.610 4.120 -0.096 0.000 0.306 245 V C -0.501 175.706 176.094 0.188 0.000 1.052 245 V CA -0.818 61.480 62.300 -0.003 0.000 0.885 245 V CB 1.908 33.610 31.823 -0.202 0.000 0.999 245 V HN 0.675 nan 8.190 nan 0.000 0.424 246 K N 5.319 125.825 120.400 0.178 0.000 2.347 246 K HA 0.551 4.813 4.320 -0.096 0.000 0.262 246 K C -0.845 175.710 176.600 -0.074 0.000 1.052 246 K CA -0.488 55.851 56.287 0.087 0.000 0.946 246 K CB 0.661 33.212 32.500 0.084 0.000 1.220 246 K HN 0.632 nan 8.250 nan 0.000 0.450 247 I N 5.483 125.913 120.570 -0.233 0.000 2.294 247 I HA -0.045 4.067 4.170 -0.096 0.000 0.295 247 I C 0.380 176.406 176.117 -0.152 0.000 1.098 247 I CA -0.090 60.920 61.300 -0.483 0.000 1.277 247 I CB 0.579 38.198 38.000 -0.635 0.000 1.434 247 I HN 0.832 nan 8.210 nan 0.000 0.498 248 D N 3.448 123.838 120.400 -0.016 0.000 4.505 248 D HA -0.314 4.268 4.640 -0.096 0.000 0.264 248 D C 0.991 177.284 176.300 -0.011 0.000 0.938 248 D CA 2.556 56.569 54.000 0.021 0.000 1.984 248 D CB -0.377 40.446 40.800 0.038 0.000 1.129 248 D HN 0.626 nan 8.370 nan 0.000 0.446 249 D N -0.759 119.623 120.400 -0.029 0.000 2.766 249 D HA 0.398 4.980 4.640 -0.096 0.000 0.284 249 D C 0.432 176.703 176.300 -0.048 0.000 1.050 249 D CA 0.812 54.791 54.000 -0.036 0.000 0.945 249 D CB -0.180 40.604 40.800 -0.026 0.000 1.272 249 D HN 0.392 nan 8.370 nan 0.000 0.482 250 A N 0.934 123.726 122.820 -0.047 0.000 2.388 250 A HA 0.412 4.674 4.320 -0.096 0.000 0.257 250 A C 0.009 177.577 177.584 -0.027 0.000 1.095 250 A CA -0.046 51.968 52.037 -0.038 0.000 0.791 250 A CB 0.328 19.311 19.000 -0.029 0.000 1.029 250 A HN -0.071 nan 8.150 nan 0.000 0.489 251 K N 1.726 122.123 120.400 -0.005 0.000 2.213 251 K HA 0.386 4.649 4.320 -0.096 0.000 0.270 251 K C -0.910 175.792 176.600 0.170 0.000 1.002 251 K CA -0.231 56.105 56.287 0.081 0.000 0.868 251 K CB 1.626 34.072 32.500 -0.089 0.000 1.093 251 K HN 0.588 nan 8.250 nan 0.000 0.454 252 K N 2.130 122.687 120.400 0.261 0.000 2.507 252 K HA 0.161 4.423 4.320 -0.096 0.000 0.253 252 K C -0.279 176.488 176.600 0.279 0.000 0.969 252 K CA -0.482 55.944 56.287 0.232 0.000 0.908 252 K CB 1.627 34.259 32.500 0.221 0.000 1.127 252 K HN 0.735 nan 8.250 nan 0.000 0.437 253 S N 2.285 118.115 115.700 0.215 0.000 2.617 253 S HA 0.349 4.761 4.470 -0.096 0.000 0.259 253 S C 0.420 175.078 174.600 0.096 0.000 1.301 253 S CA -0.467 57.831 58.200 0.163 0.000 0.984 253 S CB 0.373 63.660 63.200 0.144 0.000 0.954 253 S HN 0.492 nan 8.310 nan 0.000 0.572 254 I N 1.734 122.350 120.570 0.078 0.000 2.697 254 I HA 0.291 4.403 4.170 -0.096 0.000 0.279 254 I C -1.821 174.320 176.117 0.040 0.000 1.171 254 I CA -2.131 59.186 61.300 0.029 0.000 1.135 254 I CB 1.589 39.658 38.000 0.115 0.000 1.445 254 I HN 0.491 nan 8.210 nan 0.000 0.541 255 P HA -0.205 nan 4.420 nan 0.000 0.219 255 P C 0.618 177.941 177.300 0.038 0.000 1.145 255 P CA 1.524 64.639 63.100 0.025 0.000 0.813 255 P CB 0.204 31.903 31.700 -0.001 0.000 0.771 256 D N -1.546 118.873 120.400 0.031 0.000 2.339 256 D HA 0.056 4.638 4.640 -0.096 0.000 0.217 256 D C 1.678 178.029 176.300 0.085 0.000 1.050 256 D CA 0.256 54.283 54.000 0.046 0.000 0.856 256 D CB 0.136 40.948 40.800 0.020 0.000 0.922 256 D HN 0.129 nan 8.370 nan 0.000 0.518 257 S N 0.983 116.760 115.700 0.127 0.000 2.359 257 S HA -0.144 4.268 4.470 -0.096 0.000 0.224 257 S C 1.088 175.820 174.600 0.221 0.000 1.035 257 S CA 0.046 58.381 58.200 0.224 0.000 1.018 257 S CB -0.148 63.276 63.200 0.374 0.000 0.876 257 S HN 0.252 nan 8.310 nan 0.000 0.448 258 L N 3.766 125.089 121.223 0.167 0.000 2.841 258 L HA -0.043 4.240 4.340 -0.096 0.000 0.282 258 L C 0.236 177.202 176.870 0.160 0.000 1.130 258 L CA 0.662 55.596 54.840 0.155 0.000 0.996 258 L CB -0.789 41.342 42.059 0.120 0.000 1.364 258 L HN 0.271 nan 8.230 nan 0.000 0.466 259 T N 3.099 117.755 114.554 0.171 0.000 2.893 259 T HA 0.517 4.809 4.350 -0.096 0.000 0.291 259 T C -0.304 174.455 174.700 0.098 0.000 1.028 259 T CA -1.052 61.129 62.100 0.134 0.000 0.995 259 T CB 1.732 70.671 68.868 0.119 0.000 1.051 259 T HN 0.613 nan 8.240 nan 0.000 0.470 260 R N 2.202 122.721 120.500 0.032 0.000 2.295 260 R HA 0.642 4.925 4.340 -0.096 0.000 0.324 260 R C -0.792 175.414 176.300 -0.157 0.000 0.968 260 R CA -0.896 55.096 56.100 -0.180 0.000 0.837 260 R CB 0.332 30.525 30.300 -0.178 0.000 1.133 260 R HN 0.841 nan 8.270 nan 0.000 0.450 261 I N 1.961 122.411 120.570 -0.200 0.000 2.509 261 I HA 0.612 4.725 4.170 -0.096 0.000 0.293 261 I C -2.561 173.465 176.117 -0.151 0.000 1.020 261 I CA -3.002 58.223 61.300 -0.125 0.000 1.088 261 I CB 2.256 40.217 38.000 -0.066 0.000 1.267 261 I HN 0.433 nan 8.210 nan 0.000 0.430 262 P HA 0.206 nan 4.420 nan 0.000 0.271 262 P C -0.719 176.526 177.300 -0.093 0.000 1.216 262 P CA -0.018 63.020 63.100 -0.104 0.000 0.776 262 P CB 0.926 32.582 31.700 -0.074 0.000 0.881 263 I N 4.824 125.334 120.570 -0.099 0.000 2.307 263 I HA 0.263 4.375 4.170 -0.096 0.000 0.287 263 I C 0.811 176.878 176.117 -0.084 0.000 1.054 263 I CA -0.644 60.602 61.300 -0.091 0.000 1.218 263 I CB -0.146 37.791 38.000 -0.105 0.000 1.398 263 I HN 0.292 nan 8.210 nan 0.000 0.475 264 I N 2.272 122.802 120.570 -0.067 0.000 2.354 264 I HA 0.490 4.602 4.170 -0.096 0.000 0.292 264 I C 0.329 176.415 176.117 -0.051 0.000 0.989 264 I CA -0.417 60.850 61.300 -0.055 0.000 1.188 264 I CB 1.246 39.219 38.000 -0.044 0.000 1.342 264 I HN 0.424 nan 8.210 nan 0.000 0.457 265 D N 4.956 125.327 120.400 -0.047 0.000 2.751 265 D HA -0.189 4.393 4.640 -0.096 0.000 0.233 265 D C 1.199 177.468 176.300 -0.052 0.000 1.149 265 D CA 1.784 55.760 54.000 -0.039 0.000 0.682 265 D CB -0.928 39.855 40.800 -0.027 0.000 1.068 265 D HN 1.425 nan 8.370 nan 0.000 0.429 266 G N -0.535 108.218 108.800 -0.077 0.000 2.155 266 G HA2 -0.287 3.615 3.960 -0.096 0.000 0.257 266 G HA3 -0.287 3.615 3.960 -0.096 0.000 0.257 266 G C -0.178 174.681 174.900 -0.068 0.000 0.983 266 G CA 0.365 45.409 45.100 -0.093 0.000 0.676 266 G HN 0.535 nan 8.290 nan 0.000 0.528 267 D N -0.178 120.186 120.400 -0.060 0.000 2.481 267 D HA 0.720 5.302 4.640 -0.096 0.000 0.244 267 D C 0.435 176.703 176.300 -0.052 0.000 1.057 267 D CA 0.837 54.807 54.000 -0.050 0.000 0.848 267 D CB 1.579 42.352 40.800 -0.044 0.000 1.388 267 D HN 0.825 nan 8.370 nan 0.000 0.475 268 G N 0.347 109.119 108.800 -0.047 0.000 2.667 268 G HA2 0.460 4.362 3.960 -0.096 0.000 0.294 268 G HA3 0.460 4.362 3.960 -0.096 0.000 0.294 268 G C -1.595 173.284 174.900 -0.036 0.000 1.467 268 G CA -0.761 44.312 45.100 -0.046 0.000 0.852 268 G HN 0.274 nan 8.290 nan 0.000 0.521 269 K N 0.638 121.020 120.400 -0.029 0.000 2.463 269 K HA 0.706 4.968 4.320 -0.096 0.000 0.255 269 K C -0.600 176.019 176.600 0.031 0.000 0.942 269 K CA -0.633 55.645 56.287 -0.014 0.000 0.814 269 K CB 1.726 34.195 32.500 -0.052 0.000 1.122 269 K HN 0.815 nan 8.250 nan 0.000 0.425 270 A N 2.539 125.409 122.820 0.083 0.000 2.324 270 A HA 0.549 4.812 4.320 -0.096 0.000 0.330 270 A C -0.769 176.992 177.584 0.294 0.000 1.165 270 A CA -0.521 51.616 52.037 0.167 0.000 0.813 270 A CB 1.742 20.829 19.000 0.145 0.000 1.197 270 A HN 0.587 nan 8.150 nan 0.000 0.484 271 T N 1.996 116.721 114.554 0.285 0.000 2.879 271 T HA 0.496 4.789 4.350 -0.096 0.000 0.290 271 T C -1.363 173.306 174.700 -0.052 0.000 0.993 271 T CA -0.327 61.879 62.100 0.176 0.000 0.975 271 T CB 0.481 69.507 68.868 0.263 0.000 0.981 271 T HN 0.842 nan 8.240 nan 0.000 0.439 272 L N 5.643 126.567 121.223 -0.500 0.000 2.265 272 L HA 0.597 4.879 4.340 -0.096 0.000 0.289 272 L C -0.022 176.644 176.870 -0.341 0.000 1.033 272 L CA -0.210 54.200 54.840 -0.716 0.000 0.814 272 L CB 0.543 41.658 42.059 -1.574 0.000 1.203 272 L HN 0.542 nan 8.230 nan 0.000 0.423 273 K N 4.080 124.394 120.400 -0.145 0.000 2.237 273 K HA 0.169 4.431 4.320 -0.096 0.000 0.270 273 K C 0.638 177.262 176.600 0.039 0.000 1.015 273 K CA -0.318 55.949 56.287 -0.034 0.000 0.949 273 K CB 1.402 33.909 32.500 0.011 0.000 0.976 273 K HN 0.650 nan 8.250 nan 0.000 0.472 274 R N 1.872 122.423 120.500 0.085 0.000 2.075 274 R HA -0.117 4.165 4.340 -0.096 0.000 0.226 274 R C 1.282 177.703 176.300 0.201 0.000 1.114 274 R CA 1.822 58.031 56.100 0.181 0.000 0.972 274 R CB 0.054 30.436 30.300 0.137 0.000 0.869 274 R HN 0.766 nan 8.270 nan 0.000 0.437 275 D N -0.878 119.593 120.400 0.118 0.000 2.263 275 D HA -0.124 4.458 4.640 -0.096 0.000 0.208 275 D C 1.071 177.423 176.300 0.086 0.000 0.971 275 D CA 1.254 55.309 54.000 0.092 0.000 0.867 275 D CB -0.261 40.573 40.800 0.057 0.000 0.929 275 D HN 0.189 nan 8.370 nan 0.000 0.492 276 T N 0.020 114.633 114.554 0.098 0.000 2.896 276 T HA -0.023 4.269 4.350 -0.096 0.000 0.263 276 T C 1.467 176.237 174.700 0.117 0.000 1.050 276 T CA 0.310 62.456 62.100 0.078 0.000 1.140 276 T CB -0.423 68.484 68.868 0.064 0.000 0.877 276 T HN 0.170 nan 8.240 nan 0.000 0.457 277 F N 1.994 121.973 119.950 0.049 0.000 2.128 277 F HA 0.028 4.497 4.527 -0.097 0.000 0.295 277 F C 2.502 178.390 175.800 0.147 0.000 1.100 277 F CA 1.043 59.123 58.000 0.133 0.000 1.260 277 F CB -0.001 39.122 39.000 0.205 0.000 1.009 277 F HN -0.117 nan 8.300 nan 0.000 0.476 278 R N -0.079 120.535 120.500 0.190 0.000 2.080 278 R HA -0.168 4.114 4.340 -0.096 0.000 0.236 278 R C 2.368 178.646 176.300 -0.036 0.000 1.137 278 R CA 1.791 57.933 56.100 0.069 0.000 0.943 278 R CB -0.843 29.518 30.300 0.101 0.000 0.846 278 R HN 0.204 nan 8.270 nan 0.000 0.431 279 S N 0.152 115.834 115.700 -0.031 0.000 2.407 279 S HA -0.217 4.195 4.470 -0.096 0.000 0.235 279 S C 1.810 176.312 174.600 -0.164 0.000 1.036 279 S CA 1.818 59.975 58.200 -0.071 0.000 1.013 279 S CB -0.187 62.984 63.200 -0.047 0.000 0.820 279 S HN 0.247 nan 8.310 nan 0.000 0.476 280 R N -0.215 120.116 120.500 -0.281 0.000 2.254 280 R HA 0.276 4.559 4.340 -0.096 0.000 0.193 280 R C -0.584 175.198 176.300 -0.864 0.000 0.929 280 R CA 0.444 56.209 56.100 -0.557 0.000 1.038 280 R CB 0.215 30.125 30.300 -0.650 0.000 1.009 280 R HN 0.293 nan 8.270 nan 0.000 0.512 281 F N 2.460 122.212 119.950 -0.331 0.000 2.686 281 F HA 0.490 4.959 4.527 -0.096 0.000 0.365 281 F C -2.116 173.560 175.800 -0.207 0.000 1.196 281 F CA -2.066 55.735 58.000 -0.331 0.000 1.198 281 F CB 1.661 40.297 39.000 -0.607 0.000 1.454 281 F HN 0.019 nan 8.300 nan 0.000 0.539 288 V N 2.125 121.906 119.914 -0.222 0.000 2.617 288 V HA 0.273 4.336 4.120 -0.096 0.000 0.304 288 V C 1.501 177.229 176.094 -0.610 0.000 1.040 288 V CA 1.673 63.806 62.300 -0.279 0.000 1.149 288 V CB 0.302 32.036 31.823 -0.148 0.000 0.914 288 V HN 0.644 nan 8.190 nan 0.000 0.487 289 G N 3.272 111.850 108.800 -0.369 0.000 2.143 289 G HA2 -0.222 3.681 3.960 -0.096 0.000 0.249 289 G HA3 -0.222 3.681 3.960 -0.096 0.000 0.249 289 G C -0.088 174.711 174.900 -0.168 0.000 0.981 289 G CA 0.465 45.413 45.100 -0.253 0.000 0.665 289 G HN 0.918 nan 8.290 nan 0.000 0.528 290 H N -0.656 118.433 119.070 0.033 0.000 2.771 290 H HA 0.783 5.281 4.556 -0.096 0.000 0.344 290 H C 0.338 175.636 175.328 -0.051 0.000 1.260 290 H CA -0.398 55.643 56.048 -0.012 0.000 1.276 290 H CB 1.705 31.446 29.762 -0.035 0.000 1.881 290 H HN 0.344 nan 8.280 nan 0.000 0.615 291 T N -0.615 113.971 114.554 0.053 0.000 2.887 291 T HA 0.397 4.689 4.350 -0.096 0.000 0.288 291 T C -0.587 174.098 174.700 -0.025 0.000 1.021 291 T CA -1.031 61.021 62.100 -0.081 0.000 1.000 291 T CB 1.168 69.897 68.868 -0.231 0.000 1.034 291 T HN 0.319 nan 8.240 nan 0.000 0.467 292 L N 3.614 124.771 121.223 -0.109 0.000 2.326 292 L HA 0.555 4.838 4.340 -0.096 0.000 0.278 292 L C -1.027 175.771 176.870 -0.120 0.000 1.092 292 L CA -0.910 53.806 54.840 -0.207 0.000 0.810 292 L CB 0.528 42.273 42.059 -0.525 0.000 1.153 292 L HN 0.920 nan 8.230 nan 0.000 0.439 293 Y N 3.262 123.512 120.300 -0.082 0.000 2.499 293 Y HA 0.804 5.297 4.550 -0.096 0.000 0.347 293 Y C -0.932 174.934 175.900 -0.056 0.000 0.987 293 Y CA -1.334 56.725 58.100 -0.068 0.000 1.044 293 Y CB 1.509 39.933 38.460 -0.059 0.000 1.245 293 Y HN 0.515 nan 8.280 nan 0.000 0.461 294 A N 2.291 125.153 122.820 0.071 0.000 2.343 294 A HA 0.633 4.896 4.320 -0.096 0.000 0.308 294 A C -0.943 176.614 177.584 -0.044 0.000 1.092 294 A CA -0.707 51.203 52.037 -0.212 0.000 0.751 294 A CB 1.200 19.879 19.000 -0.535 0.000 1.203 294 A HN 0.801 nan 8.150 nan 0.000 0.452 295 S N 1.324 117.013 115.700 -0.020 0.000 2.457 295 S HA 0.570 4.982 4.470 -0.096 0.000 0.289 295 S C -0.802 173.767 174.600 -0.052 0.000 1.163 295 S CA -0.387 57.816 58.200 0.006 0.000 1.078 295 S CB 0.839 64.082 63.200 0.071 0.000 0.987 295 S HN 1.511 nan 8.310 nan 0.000 0.482 296 V N 5.422 125.316 119.914 -0.033 0.000 2.577 296 V HA 0.695 4.758 4.120 -0.096 0.000 0.303 296 V C -0.861 175.248 176.094 0.025 0.000 1.042 296 V CA -0.166 62.124 62.300 -0.016 0.000 0.872 296 V CB 2.152 33.951 31.823 -0.041 0.000 0.998 296 V HN 0.924 nan 8.190 nan 0.000 0.423 297 T N 6.373 120.979 114.554 0.086 0.000 2.892 297 T HA 0.517 4.809 4.350 -0.096 0.000 0.311 297 T C -0.638 174.169 174.700 0.178 0.000 1.033 297 T CA -0.286 61.892 62.100 0.131 0.000 0.991 297 T CB 1.236 70.209 68.868 0.174 0.000 0.981 297 T HN 0.523 nan 8.240 nan 0.000 0.457 298 V N 4.795 124.804 119.914 0.160 0.000 2.427 298 V HA 0.580 4.642 4.120 -0.096 0.000 0.286 298 V C -0.021 176.250 176.094 0.296 0.000 1.034 298 V CA -0.828 61.595 62.300 0.204 0.000 0.893 298 V CB 1.708 33.699 31.823 0.279 0.000 0.982 298 V HN 0.849 nan 8.190 nan 0.000 0.452 299 M N 4.425 124.141 119.600 0.194 0.000 2.321 299 M HA 0.464 4.886 4.480 -0.096 0.000 0.315 299 M C 0.230 176.540 176.300 0.017 0.000 1.052 299 M CA -0.435 54.971 55.300 0.175 0.000 0.936 299 M CB 2.102 34.818 32.600 0.193 0.000 1.639 299 M HN 0.897 nan 8.290 nan 0.000 0.433 300 T N 0.360 114.895 114.554 -0.032 0.000 2.932 300 T HA 0.082 4.374 4.350 -0.096 0.000 0.312 300 T C 1.087 175.767 174.700 -0.034 0.000 1.071 300 T CA 0.095 62.116 62.100 -0.131 0.000 1.128 300 T CB 0.645 69.458 68.868 -0.093 0.000 0.984 300 T HN 0.869 nan 8.240 nan 0.000 0.549 301 E N 1.548 121.721 120.200 -0.045 0.000 2.209 301 E HA -0.214 4.078 4.350 -0.096 0.000 0.196 301 E C 1.798 178.405 176.600 0.013 0.000 0.993 301 E CA 1.519 57.910 56.400 -0.015 0.000 0.819 301 E CB -0.352 29.337 29.700 -0.019 0.000 0.745 301 E HN 0.770 nan 8.360 nan 0.000 0.477 302 S N -0.559 115.156 115.700 0.025 0.000 2.528 302 S HA 0.241 4.653 4.470 -0.096 0.000 0.219 302 S C 1.737 176.365 174.600 0.047 0.000 0.985 302 S CA 0.341 58.563 58.200 0.036 0.000 0.914 302 S CB 0.219 63.446 63.200 0.044 0.000 0.776 302 S HN 0.637 nan 8.310 nan 0.000 0.526 303 G N 1.411 110.244 108.800 0.056 0.000 2.159 303 G HA2 -0.368 3.534 3.960 -0.096 0.000 0.256 303 G HA3 -0.368 3.534 3.960 -0.096 0.000 0.256 303 G C 1.089 176.039 174.900 0.083 0.000 0.977 303 G CA 0.916 46.059 45.100 0.071 0.000 0.652 303 G HN 1.133 nan 8.290 nan 0.000 0.531 304 S N 0.074 115.827 115.700 0.089 0.000 2.359 304 S HA 0.145 4.557 4.470 -0.096 0.000 0.224 304 S C 0.793 175.473 174.600 0.133 0.000 1.035 304 S CA 1.839 60.101 58.200 0.104 0.000 1.018 304 S CB -0.073 63.194 63.200 0.111 0.000 0.876 304 S HN 1.547 nan 8.310 nan 0.000 0.448 305 D N -0.115 120.394 120.400 0.181 0.000 2.653 305 D HA 0.469 5.051 4.640 -0.096 0.000 0.258 305 D C -0.587 175.898 176.300 0.308 0.000 1.252 305 D CA -0.863 53.267 54.000 0.217 0.000 0.777 305 D CB 1.085 42.018 40.800 0.223 0.000 1.339 305 D HN 0.495 nan 8.370 nan 0.000 0.422 306 M N -0.737 119.006 119.600 0.239 0.000 2.691 306 M HA 0.827 5.249 4.480 -0.096 0.000 0.293 306 M C -1.689 174.621 176.300 0.016 0.000 1.259 306 M CA -0.914 54.532 55.300 0.243 0.000 0.827 306 M CB 2.462 35.169 32.600 0.179 0.000 1.753 306 M HN 0.170 nan 8.290 nan 0.000 0.465 307 V N 1.249 121.127 119.914 -0.061 0.000 2.841 307 V HA 0.646 4.708 4.120 -0.096 0.000 0.310 307 V C -1.044 174.998 176.094 -0.088 0.000 1.090 307 V CA -0.705 61.453 62.300 -0.237 0.000 0.930 307 V CB 2.283 33.716 31.823 -0.650 0.000 1.014 307 V HN 0.750 nan 8.190 nan 0.000 0.425 308 V N 3.554 123.416 119.914 -0.087 0.000 2.376 308 V HA 0.721 4.783 4.120 -0.096 0.000 0.287 308 V C 0.132 176.184 176.094 -0.071 0.000 1.015 308 V CA -0.260 62.009 62.300 -0.052 0.000 0.834 308 V CB 1.533 33.334 31.823 -0.037 0.000 1.001 308 V HN 1.083 nan 8.190 nan 0.000 0.428 309 T N 0.960 115.478 114.554 -0.060 0.000 2.831 309 T HA 0.806 5.098 4.350 -0.096 0.000 0.287 309 T C -0.938 173.730 174.700 -0.052 0.000 1.070 309 T CA -0.839 61.222 62.100 -0.065 0.000 1.010 309 T CB 2.847 71.674 68.868 -0.067 0.000 1.264 309 T HN 0.600 nan 8.240 nan 0.000 0.532 310 E N 0.161 120.329 120.200 -0.053 0.000 2.275 310 E HA 0.382 4.674 4.350 -0.096 0.000 0.270 310 E C -1.528 175.059 176.600 -0.022 0.000 0.882 310 E CA -0.663 55.713 56.400 -0.040 0.000 0.758 310 E CB 2.093 31.750 29.700 -0.072 0.000 1.195 310 E HN 0.586 nan 8.360 nan 0.000 0.419 311 Q N 2.226 122.029 119.800 0.005 0.000 2.349 311 Q HA 0.358 4.640 4.340 -0.096 0.000 0.254 311 Q C -1.441 174.590 176.000 0.051 0.000 0.980 311 Q CA 0.097 55.918 55.803 0.030 0.000 0.924 311 Q CB 1.258 30.029 28.738 0.054 0.000 1.209 311 Q HN 0.384 nan 8.270 nan 0.000 0.445 312 S N 1.847 117.563 115.700 0.028 0.000 2.726 312 S HA 0.807 5.219 4.470 -0.096 0.000 0.308 312 S C 0.019 174.624 174.600 0.007 0.000 1.115 312 S CA -0.306 57.906 58.200 0.019 0.000 0.965 312 S CB 1.619 64.808 63.200 -0.019 0.000 1.145 312 S HN 1.063 nan 8.310 nan 0.000 0.532 313 G N 0.571 109.348 108.800 -0.038 0.000 2.176 313 G HA2 -0.207 3.695 3.960 -0.096 0.000 0.252 313 G HA3 -0.207 3.695 3.960 -0.096 0.000 0.252 313 G C -0.309 174.575 174.900 -0.027 0.000 1.024 313 G CA -0.164 44.893 45.100 -0.072 0.000 0.755 313 G HN 0.486 nan 8.290 nan 0.000 0.507 314 I N 2.659 123.189 120.570 -0.067 0.000 2.268 314 I HA 0.253 4.365 4.170 -0.096 0.000 0.290 314 I C 0.999 177.096 176.117 -0.033 0.000 1.125 314 I CA -0.762 60.520 61.300 -0.030 0.000 1.236 314 I CB 0.064 37.958 38.000 -0.177 0.000 1.469 314 I HN 0.171 nan 8.210 nan 0.000 0.512 315 H N 5.892 124.987 119.070 0.042 0.000 2.928 315 H HA 0.213 4.711 4.556 -0.096 0.000 0.338 315 H C 0.141 175.507 175.328 0.063 0.000 1.047 315 H CA 0.191 56.269 56.048 0.050 0.000 1.435 315 H CB 1.146 30.935 29.762 0.045 0.000 1.428 315 H HN 0.385 nan 8.280 nan 0.000 0.590 316 I N 4.508 125.165 120.570 0.145 0.000 2.308 316 I HA 0.071 4.183 4.170 -0.096 0.000 0.293 316 I C 0.459 176.626 176.117 0.083 0.000 1.078 316 I CA -0.166 61.203 61.300 0.115 0.000 1.292 316 I CB 0.235 38.299 38.000 0.106 0.000 1.423 316 I HN 0.239 nan 8.210 nan 0.000 0.493 317 V N 2.609 122.576 119.914 0.088 0.000 3.158 317 V HA 0.805 4.867 4.120 -0.096 0.000 0.311 317 V C 0.348 176.503 176.094 0.102 0.000 1.181 317 V CA -0.459 61.873 62.300 0.053 0.000 1.054 317 V CB 1.623 33.446 31.823 -0.000 0.000 1.085 317 V HN 0.574 nan 8.190 nan 0.000 0.446 318 A N 0.268 123.114 122.820 0.043 0.000 1.973 318 A HA 0.525 4.787 4.320 -0.096 0.000 0.210 318 A C 1.300 178.901 177.584 0.028 0.000 1.200 318 A CA 1.004 53.061 52.037 0.034 0.000 0.707 318 A CB -0.063 18.918 19.000 -0.032 0.000 0.862 318 A HN 1.131 nan 8.150 nan 0.000 0.461 319 S N -1.091 114.577 115.700 -0.053 0.000 2.513 319 S HA 0.552 4.965 4.470 -0.096 0.000 0.299 319 S C -2.440 171.913 174.600 -0.411 0.000 1.087 319 S CA -1.488 56.621 58.200 -0.152 0.000 1.012 319 S CB 1.595 64.729 63.200 -0.111 0.000 1.044 319 S HN -0.012 nan 8.310 nan 0.000 0.485 320 P HA 0.083 nan 4.420 nan 0.000 0.226 320 P C -0.862 175.937 177.300 -0.834 0.000 1.153 320 P CA 1.069 63.434 63.100 -1.224 0.000 0.777 320 P CB -0.009 30.793 31.700 -1.496 0.000 0.794 321 Y N -0.603 119.550 120.300 -0.246 0.000 2.598 321 Y HA 0.492 4.984 4.550 -0.096 0.000 0.340 321 Y C 0.512 176.303 175.900 -0.181 0.000 1.038 321 Y CA -1.269 56.723 58.100 -0.180 0.000 1.100 321 Y CB 1.189 39.559 38.460 -0.150 0.000 1.281 321 Y HN -0.209 nan 8.280 nan 0.000 0.488 322 Q N 1.390 121.195 119.800 0.008 0.000 2.305 322 Q HA 0.604 4.886 4.340 -0.096 0.000 0.271 322 Q C -1.548 174.264 176.000 -0.312 0.000 1.046 322 Q CA -0.882 54.818 55.803 -0.172 0.000 0.798 322 Q CB 2.493 31.119 28.738 -0.188 0.000 1.286 322 Q HN 0.440 nan 8.270 nan 0.000 0.435 323 I N 2.953 123.275 120.570 -0.413 0.000 2.428 323 I HA 0.317 4.429 4.170 -0.096 0.000 0.289 323 I C 0.088 175.721 176.117 -0.807 0.000 1.019 323 I CA -0.211 60.789 61.300 -0.500 0.000 1.351 323 I CB 0.472 38.214 38.000 -0.429 0.000 1.412 323 I HN 0.675 nan 8.210 nan 0.000 0.513 324 H N 5.874 124.683 119.070 -0.434 0.000 2.717 324 H HA 0.305 4.804 4.556 -0.096 0.000 0.366 324 H C -0.701 174.371 175.328 -0.426 0.000 1.132 324 H CA -0.392 55.465 56.048 -0.318 0.000 1.180 324 H CB 2.097 31.858 29.762 -0.002 0.000 1.678 324 H HN 0.375 nan 8.280 nan 0.000 0.537 325 F N 0.642 120.689 119.950 0.162 0.000 2.684 325 F HA 0.019 4.489 4.527 -0.096 0.000 0.298 325 F C 2.192 178.031 175.800 0.066 0.000 1.120 325 F CA -0.132 57.928 58.000 0.100 0.000 1.332 325 F CB 0.100 39.132 39.000 0.053 0.000 0.986 325 F HN 0.499 nan 8.300 nan 0.000 0.524 326 T N -2.724 111.933 114.554 0.171 0.000 2.929 326 T HA -0.166 4.126 4.350 -0.096 0.000 0.271 326 T C 1.481 176.119 174.700 -0.102 0.000 1.085 326 T CA 1.153 63.266 62.100 0.021 0.000 1.125 326 T CB -0.205 68.637 68.868 -0.043 0.000 0.874 326 T HN 0.249 nan 8.240 nan 0.000 0.494 327 K N 1.290 121.648 120.400 -0.069 0.000 2.399 327 K HA 0.204 4.466 4.320 -0.096 0.000 0.204 327 K C -0.276 176.344 176.600 0.033 0.000 1.023 327 K CA -0.123 56.098 56.287 -0.109 0.000 1.127 327 K CB 0.823 33.243 32.500 -0.133 0.000 0.856 327 K HN 0.340 nan 8.250 nan 0.000 0.514 328 T N 1.880 116.494 114.554 0.099 0.000 2.859 328 T HA 0.332 4.624 4.350 -0.096 0.000 0.281 328 T C -2.713 172.075 174.700 0.147 0.000 1.005 328 T CA -2.282 59.901 62.100 0.139 0.000 1.025 328 T CB 1.781 70.787 68.868 0.230 0.000 0.977 328 T HN -0.195 nan 8.240 nan 0.000 0.458 329 P HA 0.205 nan 4.420 nan 0.000 0.268 329 P C 0.375 177.813 177.300 0.230 0.000 1.205 329 P CA -0.486 62.754 63.100 0.234 0.000 0.771 329 P CB 0.528 32.404 31.700 0.293 0.000 0.858 330 K N 1.651 122.099 120.400 0.081 0.000 2.437 330 K HA 0.138 4.400 4.320 -0.096 0.000 0.198 330 K C -0.230 176.112 176.600 -0.430 0.000 1.024 330 K CA 0.218 56.386 56.287 -0.198 0.000 1.148 330 K CB -0.170 32.121 32.500 -0.347 0.000 0.860 330 K HN 0.529 nan 8.250 nan 0.000 0.515 331 Y N 0.250 120.674 120.300 0.207 0.000 2.499 331 Y HA 0.409 4.901 4.550 -0.096 0.000 0.347 331 Y C 0.032 176.121 175.900 0.316 0.000 0.987 331 Y CA -1.793 56.425 58.100 0.196 0.000 1.044 331 Y CB 1.320 39.880 38.460 0.168 0.000 1.245 331 Y HN -0.046 nan 8.280 nan 0.000 0.461 332 F N -0.969 119.137 119.950 0.261 0.000 2.631 332 F HA 0.894 5.363 4.527 -0.096 0.000 0.328 332 F C -1.440 174.466 175.800 0.177 0.000 1.067 332 F CA -1.834 56.287 58.000 0.203 0.000 0.969 332 F CB 1.400 40.379 39.000 -0.036 0.000 1.332 332 F HN 0.126 nan 8.300 nan 0.000 0.490 333 K N 2.271 122.790 120.400 0.199 0.000 2.404 333 K HA 0.443 4.705 4.320 -0.096 0.000 0.257 333 K C -2.837 173.686 176.600 -0.128 0.000 1.026 333 K CA -1.923 54.279 56.287 -0.141 0.000 0.951 333 K CB 0.956 33.347 32.500 -0.181 0.000 1.203 333 K HN 0.253 nan 8.250 nan 0.000 0.446 334 P HA -0.058 nan 4.420 nan 0.000 0.261 334 P C 0.849 178.074 177.300 -0.126 0.000 1.173 334 P CA 1.013 64.155 63.100 0.070 0.000 0.760 334 P CB 0.685 32.435 31.700 0.085 0.000 0.783 335 G N 1.867 110.657 108.800 -0.017 0.000 2.205 335 G HA2 -0.276 3.626 3.960 -0.096 0.000 0.261 335 G HA3 -0.276 3.626 3.960 -0.096 0.000 0.261 335 G C 0.060 174.932 174.900 -0.046 0.000 0.980 335 G CA 0.062 45.144 45.100 -0.031 0.000 0.632 335 G HN 0.480 nan 8.290 nan 0.000 0.533 336 M N 0.608 120.163 119.600 -0.075 0.000 2.508 336 M HA 0.462 4.884 4.480 -0.096 0.000 0.327 336 M C -2.682 173.575 176.300 -0.071 0.000 1.160 336 M CA -2.108 53.144 55.300 -0.080 0.000 0.980 336 M CB 1.717 34.246 32.600 -0.119 0.000 1.693 336 M HN -0.175 nan 8.290 nan 0.000 0.452 337 P HA 0.015 nan 4.420 nan 0.000 0.271 337 P C -1.494 175.733 177.300 -0.121 0.000 1.226 337 P CA 0.058 63.114 63.100 -0.074 0.000 0.765 337 P CB 0.072 31.729 31.700 -0.072 0.000 0.835 338 Y N 2.777 122.982 120.300 -0.158 0.000 2.335 338 Y HA 0.173 4.665 4.550 -0.096 0.000 0.331 338 Y C 0.384 176.218 175.900 -0.109 0.000 1.094 338 Y CA -0.260 57.757 58.100 -0.139 0.000 1.253 338 Y CB 0.808 39.189 38.460 -0.131 0.000 1.203 338 Y HN 0.360 nan 8.280 nan 0.000 0.508 339 E N 7.072 126.780 120.200 -0.821 0.000 2.014 339 E HA 0.185 4.477 4.350 -0.096 0.000 0.275 339 E C -1.067 175.015 176.600 -0.864 0.000 0.997 339 E CA -0.379 55.657 56.400 -0.606 0.000 0.804 339 E CB 0.625 30.170 29.700 -0.258 0.000 1.090 339 E HN 0.610 nan 8.360 nan 0.000 0.401 340 L N 4.284 125.214 121.223 -0.490 0.000 2.278 340 L HA 0.249 4.532 4.340 -0.096 0.000 0.287 340 L C -0.085 176.760 176.870 -0.042 0.000 1.072 340 L CA -0.123 54.634 54.840 -0.138 0.000 0.819 340 L CB 0.672 42.773 42.059 0.070 0.000 1.176 340 L HN 0.388 nan 8.230 nan 0.000 0.435 341 T N 3.942 118.505 114.554 0.015 0.000 2.929 341 T HA 0.287 4.579 4.350 -0.096 0.000 0.331 341 T C -0.313 174.462 174.700 0.126 0.000 1.120 341 T CA -0.541 61.588 62.100 0.048 0.000 0.973 341 T CB 0.866 69.750 68.868 0.026 0.000 1.036 341 T HN 0.418 nan 8.240 nan 0.000 0.502 342 V N 5.621 125.607 119.914 0.119 0.000 2.834 342 V HA 0.648 4.710 4.120 -0.096 0.000 0.301 342 V C -1.287 174.887 176.094 0.133 0.000 1.066 342 V CA -0.594 61.774 62.300 0.113 0.000 1.052 342 V CB 1.168 33.031 31.823 0.066 0.000 1.021 342 V HN 0.891 nan 8.190 nan 0.000 0.480 343 Y N 4.506 124.759 120.300 -0.078 0.000 2.361 343 Y HA 0.654 5.146 4.550 -0.096 0.000 0.328 343 Y C -0.905 174.970 175.900 -0.042 0.000 1.044 343 Y CA -0.899 57.173 58.100 -0.046 0.000 1.085 343 Y CB 1.834 40.283 38.460 -0.018 0.000 1.194 343 Y HN 0.488 nan 8.280 nan 0.000 0.438 344 V N 5.746 125.462 119.914 -0.330 0.000 2.513 344 V HA 0.717 4.779 4.120 -0.096 0.000 0.299 344 V C -0.161 175.646 176.094 -0.478 0.000 1.035 344 V CA -0.318 61.769 62.300 -0.356 0.000 0.889 344 V CB 1.757 33.391 31.823 -0.314 0.000 0.988 344 V HN 0.878 nan 8.190 nan 0.000 0.440 345 T N 0.786 115.157 114.554 -0.306 0.000 2.907 345 T HA 0.554 4.847 4.350 -0.096 0.000 0.290 345 T C -0.287 174.416 174.700 0.005 0.000 1.066 345 T CA -0.946 61.025 62.100 -0.216 0.000 1.012 345 T CB 1.462 70.183 68.868 -0.245 0.000 1.184 345 T HN 0.489 nan 8.240 nan 0.000 0.522 346 N N 1.354 120.076 118.700 0.037 0.000 2.317 346 N HA 0.299 4.981 4.740 -0.096 0.000 0.245 346 N C -1.809 173.688 175.510 -0.022 0.000 1.294 346 N CA -1.489 51.597 53.050 0.061 0.000 0.924 346 N CB 0.232 38.763 38.487 0.073 0.000 1.186 346 N HN 0.407 nan 8.380 nan 0.000 0.495 347 P HA -0.149 nan 4.420 nan 0.000 0.215 347 P C 0.301 177.384 177.300 -0.363 0.000 1.153 347 P CA 1.232 64.191 63.100 -0.236 0.000 0.853 347 P CB -0.057 31.514 31.700 -0.215 0.000 0.788 348 D N -1.102 119.221 120.400 -0.128 0.000 2.389 348 D HA -0.045 4.537 4.640 -0.096 0.000 0.221 348 D C 1.376 177.671 176.300 -0.008 0.000 0.974 348 D CA 1.180 55.189 54.000 0.015 0.000 0.923 348 D CB -1.309 39.566 40.800 0.124 0.000 0.892 348 D HN 0.293 nan 8.370 nan 0.000 0.518 349 G N -0.362 108.408 108.800 -0.049 0.000 2.141 349 G HA2 -0.261 3.641 3.960 -0.096 0.000 0.242 349 G HA3 -0.261 3.641 3.960 -0.096 0.000 0.242 349 G C 0.225 175.107 174.900 -0.030 0.000 0.982 349 G CA 0.353 45.420 45.100 -0.055 0.000 0.662 349 G HN 0.894 nan 8.290 nan 0.000 0.527 350 S N 0.866 116.562 115.700 -0.008 0.000 2.537 350 S HA 0.669 5.081 4.470 -0.096 0.000 0.275 350 S C -1.903 172.682 174.600 -0.025 0.000 1.272 350 S CA -1.410 56.797 58.200 0.010 0.000 1.050 350 S CB 2.103 65.322 63.200 0.032 0.000 0.961 350 S HN 0.226 nan 8.310 nan 0.000 0.496 351 P HA 0.128 nan 4.420 nan 0.000 0.263 351 P C -0.810 176.457 177.300 -0.055 0.000 1.175 351 P CA 0.189 63.255 63.100 -0.056 0.000 0.761 351 P CB 0.148 31.876 31.700 0.046 0.000 0.794 352 A N 3.196 125.955 122.820 -0.101 0.000 2.256 352 A HA 0.624 4.886 4.320 -0.096 0.000 0.317 352 A C 0.371 177.875 177.584 -0.135 0.000 1.318 352 A CA -0.567 51.432 52.037 -0.062 0.000 0.894 352 A CB 0.433 19.427 19.000 -0.009 0.000 1.165 352 A HN 0.588 nan 8.150 nan 0.000 0.525 353 A N 1.904 124.634 122.820 -0.151 0.000 2.287 353 A HA 0.583 4.845 4.320 -0.096 0.000 0.273 353 A C 0.442 177.871 177.584 -0.259 0.000 1.091 353 A CA -0.038 51.800 52.037 -0.332 0.000 0.817 353 A CB -0.455 18.183 19.000 -0.602 0.000 1.069 353 A HN 1.435 nan 8.150 nan 0.000 0.492 354 H N -2.410 116.654 119.070 -0.010 0.000 2.692 354 H HA -0.118 4.380 4.556 -0.096 0.000 0.316 354 H C -0.654 174.664 175.328 -0.017 0.000 1.176 354 H CA 0.313 56.356 56.048 -0.008 0.000 1.142 354 H CB -1.901 27.870 29.762 0.016 0.000 1.475 354 H HN 0.300 nan 8.280 nan 0.000 0.423 355 V N 1.339 121.245 119.914 -0.013 0.000 2.357 355 V HA 0.277 4.339 4.120 -0.096 0.000 0.284 355 V C -1.929 174.118 176.094 -0.079 0.000 1.018 355 V CA -1.796 60.456 62.300 -0.080 0.000 0.841 355 V CB 1.661 33.275 31.823 -0.347 0.000 0.991 355 V HN 0.043 nan 8.190 nan 0.000 0.437 356 P HA 0.227 nan 4.420 nan 0.000 0.271 356 P C -0.712 176.561 177.300 -0.044 0.000 1.220 356 P CA 0.132 63.204 63.100 -0.045 0.000 0.768 356 P CB 0.818 32.487 31.700 -0.051 0.000 0.848 357 V N 1.888 121.782 119.914 -0.034 0.000 2.769 357 V HA 0.802 4.864 4.120 -0.096 0.000 0.312 357 V C -0.572 175.524 176.094 0.002 0.000 1.061 357 V CA -0.955 61.331 62.300 -0.024 0.000 0.931 357 V CB 2.299 34.099 31.823 -0.037 0.000 1.010 357 V HN 0.191 nan 8.190 nan 0.000 0.433 358 V N 2.282 122.204 119.914 0.014 0.000 2.925 358 V HA 0.775 4.837 4.120 -0.096 0.000 0.311 358 V C -0.115 176.006 176.094 0.046 0.000 1.104 358 V CA -0.052 62.264 62.300 0.027 0.000 0.954 358 V CB 2.286 34.120 31.823 0.017 0.000 1.022 358 V HN 1.237 nan 8.190 nan 0.000 0.427 359 S N 0.652 116.390 115.700 0.064 0.000 2.669 359 S HA 0.607 5.019 4.470 -0.096 0.000 0.315 359 S C 0.579 175.216 174.600 0.061 0.000 1.106 359 S CA 0.256 58.513 58.200 0.095 0.000 1.107 359 S CB 1.546 64.839 63.200 0.154 0.000 0.990 359 S HN 1.049 nan 8.310 nan 0.000 0.471 360 E N 3.724 123.915 120.200 -0.014 0.000 2.038 360 E HA -0.049 4.244 4.350 -0.096 0.000 0.195 360 E C 2.211 178.639 176.600 -0.286 0.000 1.000 360 E CA 1.775 58.086 56.400 -0.148 0.000 0.803 360 E CB -1.356 28.266 29.700 -0.129 0.000 0.750 360 E HN 1.300 nan 8.360 nan 0.000 0.448 361 A N -0.798 121.915 122.820 -0.177 0.000 2.093 361 A HA 0.070 4.332 4.320 -0.096 0.000 0.222 361 A C 1.769 179.098 177.584 -0.426 0.000 1.162 361 A CA 1.569 53.426 52.037 -0.300 0.000 0.655 361 A CB -0.545 18.294 19.000 -0.268 0.000 0.805 361 A HN 0.528 nan 8.150 nan 0.000 0.461 362 F N -1.802 118.088 119.950 -0.100 0.000 2.654 362 F HA 0.229 4.699 4.527 -0.096 0.000 0.303 362 F C 0.572 176.427 175.800 0.092 0.000 1.099 362 F CA -0.269 57.739 58.000 0.014 0.000 1.270 362 F CB -0.070 38.932 39.000 0.003 0.000 1.024 362 F HN 0.343 nan 8.300 nan 0.000 0.548 363 H N -0.229 118.910 119.070 0.115 0.000 2.594 363 H HA -0.198 4.300 4.556 -0.096 0.000 0.316 363 H C 0.470 175.848 175.328 0.083 0.000 1.107 363 H CA 0.769 56.860 56.048 0.071 0.000 1.133 363 H CB -1.301 28.481 29.762 0.034 0.000 1.459 363 H HN 0.264 nan 8.280 nan 0.000 0.411 364 S N -0.130 115.669 115.700 0.165 0.000 2.593 364 S HA 0.749 5.161 4.470 -0.096 0.000 0.297 364 S C -0.046 174.597 174.600 0.072 0.000 1.112 364 S CA -0.736 57.533 58.200 0.115 0.000 1.043 364 S CB 1.886 65.148 63.200 0.104 0.000 1.054 364 S HN 0.404 nan 8.310 nan 0.000 0.516 365 M N 2.865 122.495 119.600 0.049 0.000 2.333 365 M HA 0.522 4.944 4.480 -0.096 0.000 0.286 365 M C -1.172 175.139 176.300 0.019 0.000 1.113 365 M CA -0.217 55.102 55.300 0.032 0.000 0.959 365 M CB 1.362 33.982 32.600 0.034 0.000 1.776 365 M HN 0.854 nan 8.290 nan 0.000 0.492 366 G N 1.465 110.271 108.800 0.010 0.000 2.660 366 G HA2 0.727 4.629 3.960 -0.096 0.000 0.290 366 G HA3 0.727 4.629 3.960 -0.096 0.000 0.290 366 G C -1.380 173.518 174.900 -0.003 0.000 1.432 366 G CA -0.371 44.731 45.100 0.004 0.000 0.807 366 G HN 0.743 nan 8.290 nan 0.000 0.485 367 T N -2.381 112.172 114.554 -0.002 0.000 2.887 367 T HA 0.655 4.947 4.350 -0.096 0.000 0.288 367 T C -0.089 174.611 174.700 -0.000 0.000 1.021 367 T CA -0.518 61.580 62.100 -0.004 0.000 1.000 367 T CB 1.837 70.710 68.868 0.008 0.000 1.034 367 T HN 0.434 nan 8.240 nan 0.000 0.467 368 T N 3.546 118.088 114.554 -0.020 0.000 2.834 368 T HA 0.353 4.646 4.350 -0.096 0.000 0.298 368 T C 0.643 175.315 174.700 -0.046 0.000 0.966 368 T CA -0.255 61.820 62.100 -0.041 0.000 1.141 368 T CB -0.334 68.478 68.868 -0.093 0.000 0.905 368 T HN 0.431 nan 8.240 nan 0.000 0.535 369 L N 2.408 123.610 121.223 -0.036 0.000 2.505 369 L HA 0.210 4.492 4.340 -0.096 0.000 0.226 369 L C 2.162 178.957 176.870 -0.125 0.000 1.211 369 L CA -0.429 54.382 54.840 -0.048 0.000 0.828 369 L CB -0.028 42.021 42.059 -0.017 0.000 1.331 369 L HN 0.569 nan 8.230 nan 0.000 0.513 370 S N 0.094 115.725 115.700 -0.114 0.000 2.382 370 S HA -0.169 4.243 4.470 -0.096 0.000 0.228 370 S C 1.286 175.850 174.600 -0.061 0.000 1.027 370 S CA 1.432 59.556 58.200 -0.127 0.000 0.991 370 S CB -0.476 62.687 63.200 -0.063 0.000 0.823 370 S HN 0.882 nan 8.310 nan 0.000 0.469 371 D N 0.782 121.171 120.400 -0.019 0.000 2.392 371 D HA 0.088 4.671 4.640 -0.096 0.000 0.228 371 D C 1.244 177.615 176.300 0.120 0.000 1.003 371 D CA 0.841 54.863 54.000 0.037 0.000 0.917 371 D CB -0.918 39.894 40.800 0.020 0.000 0.890 371 D HN 0.421 nan 8.370 nan 0.000 0.532 372 G N -0.097 108.732 108.800 0.048 0.000 2.148 372 G HA2 -0.244 3.658 3.960 -0.096 0.000 0.254 372 G HA3 -0.244 3.658 3.960 -0.096 0.000 0.254 372 G C 0.357 175.338 174.900 0.136 0.000 0.981 372 G CA 0.700 45.826 45.100 0.044 0.000 0.670 372 G HN 0.878 nan 8.290 nan 0.000 0.528 373 T N -2.400 112.227 114.554 0.123 0.000 2.918 373 T HA 0.917 5.209 4.350 -0.096 0.000 0.286 373 T C -0.232 174.491 174.700 0.039 0.000 1.026 373 T CA 0.267 62.437 62.100 0.117 0.000 1.031 373 T CB 2.549 71.472 68.868 0.092 0.000 1.046 373 T HN 1.845 nan 8.240 nan 0.000 0.479 374 A N 1.718 124.559 122.820 0.034 0.000 2.398 374 A HA 0.729 4.991 4.320 -0.096 0.000 0.301 374 A C -0.696 176.894 177.584 0.011 0.000 1.041 374 A CA -0.996 51.048 52.037 0.011 0.000 0.711 374 A CB 1.663 20.664 19.000 0.002 0.000 1.240 374 A HN 0.809 nan 8.150 nan 0.000 0.420 375 K N 1.849 122.246 120.400 -0.006 0.000 2.227 375 K HA 0.669 4.932 4.320 -0.096 0.000 0.280 375 K C -1.251 175.335 176.600 -0.023 0.000 1.041 375 K CA 0.024 56.298 56.287 -0.022 0.000 0.905 375 K CB 0.403 32.880 32.500 -0.038 0.000 1.068 375 K HN 0.603 nan 8.250 nan 0.000 0.470 376 L N 5.899 127.104 121.223 -0.030 0.000 2.356 376 L HA 0.513 4.795 4.340 -0.096 0.000 0.277 376 L C -0.260 176.576 176.870 -0.058 0.000 0.996 376 L CA -1.061 53.762 54.840 -0.028 0.000 0.822 376 L CB 1.665 43.718 42.059 -0.010 0.000 1.256 376 L HN 0.627 nan 8.230 nan 0.000 0.413 377 I N 3.640 124.183 120.570 -0.044 0.000 2.371 377 I HA 0.293 4.405 4.170 -0.096 0.000 0.290 377 I C -1.134 174.967 176.117 -0.027 0.000 1.028 377 I CA -0.449 60.820 61.300 -0.052 0.000 1.345 377 I CB 0.917 38.895 38.000 -0.038 0.000 1.407 377 I HN 0.410 nan 8.210 nan 0.000 0.501 378 L N 7.650 128.857 121.223 -0.028 0.000 2.319 378 L HA 0.409 4.691 4.340 -0.096 0.000 0.281 378 L C -0.342 176.549 176.870 0.035 0.000 1.005 378 L CA -0.230 54.591 54.840 -0.031 0.000 0.828 378 L CB 1.108 43.041 42.059 -0.210 0.000 1.227 378 L HN 0.555 nan 8.230 nan 0.000 0.415 379 N N 4.215 122.969 118.700 0.089 0.000 2.470 379 N HA 0.525 5.207 4.740 -0.096 0.000 0.268 379 N C -0.587 174.990 175.510 0.111 0.000 1.136 379 N CA -0.118 52.981 53.050 0.081 0.000 0.961 379 N CB 0.826 39.358 38.487 0.075 0.000 1.067 379 N HN 0.548 nan 8.380 nan 0.000 0.468 380 I N -0.261 120.338 120.570 0.048 0.000 2.545 380 I HA 0.657 4.769 4.170 -0.096 0.000 0.292 380 I C -2.371 173.753 176.117 0.012 0.000 1.040 380 I CA -2.445 58.862 61.300 0.013 0.000 1.068 380 I CB 1.841 39.771 38.000 -0.117 0.000 1.251 380 I HN 0.290 nan 8.210 nan 0.000 0.424 381 P HA 0.034 nan 4.420 nan 0.000 0.270 381 P C 0.344 177.673 177.300 0.048 0.000 1.221 381 P CA -0.233 62.880 63.100 0.020 0.000 0.788 381 P CB 1.391 33.097 31.700 0.011 0.000 0.904 382 L N 0.980 122.232 121.223 0.049 0.000 2.418 382 L HA -0.024 4.259 4.340 -0.096 0.000 0.218 382 L C 1.649 178.571 176.870 0.088 0.000 1.125 382 L CA 0.747 55.624 54.840 0.061 0.000 0.835 382 L CB -0.260 41.829 42.059 0.050 0.000 0.953 382 L HN 0.437 nan 8.230 nan 0.000 0.454 383 N N -0.508 118.243 118.700 0.085 0.000 2.203 383 N HA 0.094 4.776 4.740 -0.096 0.000 0.207 383 N C 0.364 175.941 175.510 0.111 0.000 1.130 383 N CA 0.151 53.255 53.050 0.090 0.000 0.861 383 N CB 0.194 38.719 38.487 0.062 0.000 1.005 383 N HN 0.067 nan 8.380 nan 0.000 0.507 384 A N 0.233 123.140 122.820 0.144 0.000 2.488 384 A HA 0.456 4.718 4.320 -0.096 0.000 0.249 384 A C 1.203 178.975 177.584 0.314 0.000 1.083 384 A CA 0.479 52.632 52.037 0.193 0.000 0.768 384 A CB 0.354 19.438 19.000 0.140 0.000 1.017 384 A HN 0.509 nan 8.150 nan 0.000 0.496 385 Q N 1.231 121.182 119.800 0.252 0.000 2.396 385 Q HA 0.407 4.689 4.340 -0.096 0.000 0.220 385 Q C 1.053 177.253 176.000 0.335 0.000 0.900 385 Q CA 1.116 57.053 55.803 0.223 0.000 0.925 385 Q CB 0.038 28.843 28.738 0.113 0.000 1.065 385 Q HN 1.293 nan 8.270 nan 0.000 0.535 386 S N -0.668 115.226 115.700 0.323 0.000 2.521 386 S HA 0.708 5.120 4.470 -0.096 0.000 0.295 386 S C -1.537 173.121 174.600 0.096 0.000 1.098 386 S CA -0.527 57.822 58.200 0.248 0.000 0.999 386 S CB 1.312 64.578 63.200 0.109 0.000 1.034 386 S HN 0.713 nan 8.310 nan 0.000 0.483 387 L N 6.355 127.568 121.223 -0.016 0.000 2.415 387 L HA 0.680 4.962 4.340 -0.096 0.000 0.268 387 L C -2.712 174.047 176.870 -0.186 0.000 0.984 387 L CA -1.449 53.230 54.840 -0.268 0.000 0.853 387 L CB 2.207 43.780 42.059 -0.811 0.000 1.215 387 L HN 0.456 nan 8.230 nan 0.000 0.419 388 P HA 0.499 nan 4.420 nan 0.000 0.300 388 P C -1.032 176.254 177.300 -0.023 0.000 1.326 388 P CA -0.287 62.764 63.100 -0.082 0.000 0.844 388 P CB 1.896 33.568 31.700 -0.048 0.000 0.992 389 I N 1.926 122.420 120.570 -0.126 0.000 2.569 389 I HA 0.452 4.564 4.170 -0.096 0.000 0.296 389 I C 0.009 176.084 176.117 -0.070 0.000 1.028 389 I CA -0.155 61.089 61.300 -0.094 0.000 1.082 389 I CB 2.394 40.213 38.000 -0.301 0.000 1.264 389 I HN 0.182 nan 8.210 nan 0.000 0.429 390 T N 4.712 119.304 114.554 0.064 0.000 2.881 390 T HA 0.596 4.888 4.350 -0.096 0.000 0.290 390 T C -0.839 173.959 174.700 0.163 0.000 1.000 390 T CA -0.495 61.676 62.100 0.119 0.000 0.978 390 T CB 1.908 70.822 68.868 0.075 0.000 0.997 390 T HN 0.159 nan 8.240 nan 0.000 0.443 391 V N 3.677 123.729 119.914 0.230 0.000 2.604 391 V HA 0.603 4.665 4.120 -0.096 0.000 0.305 391 V C -0.103 176.034 176.094 0.072 0.000 1.043 391 V CA -0.889 61.506 62.300 0.157 0.000 0.888 391 V CB 2.072 34.018 31.823 0.204 0.000 0.995 391 V HN 0.689 nan 8.190 nan 0.000 0.429 392 R N 1.446 121.968 120.500 0.037 0.000 2.711 392 R HA 0.603 4.885 4.340 -0.096 0.000 0.284 392 R C -0.179 176.120 176.300 -0.001 0.000 0.968 392 R CA -0.567 55.541 56.100 0.013 0.000 0.924 392 R CB 2.329 32.638 30.300 0.016 0.000 1.162 392 R HN 0.894 nan 8.270 nan 0.000 0.465 393 T N -0.453 114.098 114.554 -0.005 0.000 2.860 393 T HA 0.090 4.383 4.350 -0.096 0.000 0.299 393 T C 0.444 175.166 174.700 0.037 0.000 1.045 393 T CA -0.460 61.641 62.100 0.001 0.000 1.071 393 T CB 0.659 69.545 68.868 0.029 0.000 0.985 393 T HN 0.535 nan 8.240 nan 0.000 0.537 394 N N 0.001 118.727 118.700 0.044 0.000 2.664 394 N HA 0.068 4.750 4.740 -0.096 0.000 0.287 394 N C -0.981 174.571 175.510 0.070 0.000 1.869 394 N CA -0.484 52.596 53.050 0.049 0.000 0.832 394 N CB -0.050 38.447 38.487 0.016 0.000 1.293 394 N HN 0.786 nan 8.380 nan 0.000 0.498 395 H N -0.164 118.935 119.070 0.049 0.000 2.767 395 H HA 0.197 4.696 4.556 -0.096 0.000 0.316 395 H C 1.366 176.733 175.328 0.064 0.000 1.059 395 H CA 1.068 57.161 56.048 0.074 0.000 1.461 395 H CB 1.125 30.987 29.762 0.167 0.000 1.475 395 H HN 0.542 nan 8.280 nan 0.000 0.531 396 G N 3.867 112.548 108.800 -0.198 0.000 2.517 396 G HA2 -0.247 3.655 3.960 -0.096 0.000 0.222 396 G HA3 -0.247 3.655 3.960 -0.096 0.000 0.222 396 G C 0.659 175.628 174.900 0.115 0.000 1.109 396 G CA 0.730 45.798 45.100 -0.053 0.000 0.746 396 G HN 0.626 nan 8.290 nan 0.000 0.576 397 D N -0.614 120.007 120.400 0.369 0.000 2.424 397 D HA 0.284 4.866 4.640 -0.096 0.000 0.220 397 D C -0.287 176.149 176.300 0.227 0.000 1.150 397 D CA -0.127 54.050 54.000 0.295 0.000 0.831 397 D CB 0.884 41.874 40.800 0.318 0.000 0.981 397 D HN 0.089 nan 8.370 nan 0.000 0.500 398 L N 1.911 123.265 121.223 0.219 0.000 2.362 398 L HA 0.404 4.687 4.340 -0.096 0.000 0.275 398 L C -2.192 174.720 176.870 0.069 0.000 0.998 398 L CA -1.892 53.018 54.840 0.118 0.000 0.820 398 L CB 1.899 44.025 42.059 0.111 0.000 1.270 398 L HN -0.227 nan 8.230 nan 0.000 0.415 399 P HA 0.168 nan 4.420 nan 0.000 0.272 399 P C 0.435 177.727 177.300 -0.014 0.000 1.223 399 P CA -0.525 62.573 63.100 -0.004 0.000 0.784 399 P CB 0.936 32.614 31.700 -0.036 0.000 0.923 400 R N 1.992 122.485 120.500 -0.013 0.000 2.113 400 R HA -0.170 4.112 4.340 -0.096 0.000 0.244 400 R C 1.834 178.116 176.300 -0.029 0.000 1.142 400 R CA 1.889 57.982 56.100 -0.012 0.000 0.953 400 R CB -0.672 29.620 30.300 -0.013 0.000 0.860 400 R HN 0.651 nan 8.270 nan 0.000 0.438 401 E N 0.090 120.259 120.200 -0.052 0.000 2.478 401 E HA -0.132 4.160 4.350 -0.096 0.000 0.198 401 E C 0.918 177.460 176.600 -0.097 0.000 1.046 401 E CA 0.640 56.998 56.400 -0.070 0.000 0.870 401 E CB -0.088 29.563 29.700 -0.081 0.000 0.818 401 E HN 0.080 nan 8.360 nan 0.000 0.527 402 R N 0.901 121.339 120.500 -0.104 0.000 2.334 402 R HA 0.201 4.483 4.340 -0.096 0.000 0.220 402 R C 0.532 176.801 176.300 -0.052 0.000 0.917 402 R CA 0.068 56.097 56.100 -0.119 0.000 1.073 402 R CB 0.080 30.284 30.300 -0.160 0.000 1.056 402 R HN 0.256 nan 8.270 nan 0.000 0.506 403 Q N 0.188 119.978 119.800 -0.018 0.000 2.317 403 Q HA 0.490 4.772 4.340 -0.096 0.000 0.229 403 Q C -0.249 175.755 176.000 0.007 0.000 0.984 403 Q CA -0.271 55.549 55.803 0.028 0.000 0.911 403 Q CB 1.275 30.034 28.738 0.035 0.000 1.217 403 Q HN 0.053 nan 8.270 nan 0.000 0.501 404 A N 0.564 123.402 122.820 0.030 0.000 2.325 404 A HA 0.684 4.946 4.320 -0.096 0.000 0.333 404 A C -0.325 177.242 177.584 -0.029 0.000 1.155 404 A CA -0.342 51.689 52.037 -0.011 0.000 0.814 404 A CB 1.621 20.620 19.000 -0.001 0.000 1.206 404 A HN 0.581 nan 8.150 nan 0.000 0.482 405 T N 0.421 114.948 114.554 -0.044 0.000 2.900 405 T HA 0.675 4.967 4.350 -0.096 0.000 0.303 405 T C -1.073 173.607 174.700 -0.035 0.000 1.142 405 T CA -0.567 61.517 62.100 -0.027 0.000 1.007 405 T CB 1.232 70.101 68.868 0.001 0.000 1.156 405 T HN 0.842 nan 8.240 nan 0.000 0.490 406 K N 1.300 121.714 120.400 0.024 0.000 2.575 406 K HA 0.685 4.947 4.320 -0.096 0.000 0.279 406 K C -1.567 175.236 176.600 0.338 0.000 0.969 406 K CA -0.667 55.682 56.287 0.103 0.000 0.868 406 K CB 2.141 34.623 32.500 -0.029 0.000 1.457 406 K HN 0.642 nan 8.250 nan 0.000 0.426 407 S N 1.889 117.763 115.700 0.291 0.000 2.566 407 S HA 0.731 5.143 4.470 -0.096 0.000 0.298 407 S C -0.958 173.646 174.600 0.007 0.000 1.083 407 S CA -0.915 57.376 58.200 0.152 0.000 0.978 407 S CB 1.413 64.642 63.200 0.048 0.000 1.073 407 S HN 0.624 nan 8.310 nan 0.000 0.491 408 M N -0.081 119.342 119.600 -0.296 0.000 2.755 408 M HA 0.798 5.220 4.480 -0.096 0.000 0.273 408 M C -1.371 174.758 176.300 -0.285 0.000 1.278 408 M CA -0.792 54.296 55.300 -0.354 0.000 0.819 408 M CB 2.151 34.325 32.600 -0.709 0.000 1.694 408 M HN 0.516 nan 8.290 nan 0.000 0.460 409 T N -0.674 113.748 114.554 -0.221 0.000 3.011 409 T HA 0.864 5.156 4.350 -0.096 0.000 0.303 409 T C -0.744 173.853 174.700 -0.172 0.000 0.997 409 T CA -0.525 61.472 62.100 -0.172 0.000 1.007 409 T CB 1.351 70.162 68.868 -0.094 0.000 1.017 409 T HN 1.058 nan 8.240 nan 0.000 0.443 410 A N 3.786 126.496 122.820 -0.184 0.000 2.304 410 A HA 0.878 5.140 4.320 -0.096 0.000 0.301 410 A C 0.185 177.848 177.584 0.132 0.000 1.132 410 A CA -1.112 50.862 52.037 -0.105 0.000 0.819 410 A CB 0.212 19.119 19.000 -0.155 0.000 1.094 410 A HN 1.285 nan 8.150 nan 0.000 0.492 411 I N -0.936 119.677 120.570 0.072 0.000 2.603 411 I HA 0.800 4.912 4.170 -0.096 0.000 0.300 411 I C 0.243 176.307 176.117 -0.089 0.000 1.017 411 I CA -0.946 60.428 61.300 0.124 0.000 1.098 411 I CB 2.040 40.072 38.000 0.053 0.000 1.279 411 I HN 0.657 nan 8.210 nan 0.000 0.437 412 A N 4.484 127.044 122.820 -0.433 0.000 2.440 412 A HA 0.199 4.461 4.320 -0.096 0.000 0.251 412 A C -0.552 176.943 177.584 -0.148 0.000 1.089 412 A CA -0.142 51.394 52.037 -0.835 0.000 0.779 412 A CB -0.164 18.412 19.000 -0.707 0.000 1.022 412 A HN 0.777 nan 8.150 nan 0.000 0.492 413 Y N 2.784 122.994 120.300 -0.149 0.000 2.745 413 Y HA 0.056 4.548 4.550 -0.096 0.000 0.335 413 Y C 0.423 176.347 175.900 0.040 0.000 1.212 413 Y CA 0.399 58.506 58.100 0.011 0.000 1.535 413 Y CB 0.364 38.892 38.460 0.114 0.000 1.220 413 Y HN 0.620 nan 8.280 nan 0.000 0.531 414 Q N 5.215 124.819 119.800 -0.327 0.000 2.281 414 Q HA 0.037 4.319 4.340 -0.096 0.000 0.267 414 Q C 0.387 176.131 176.000 -0.426 0.000 1.053 414 Q CA 0.077 55.716 55.803 -0.274 0.000 0.905 414 Q CB 0.829 29.428 28.738 -0.232 0.000 1.195 414 Q HN 0.803 nan 8.270 nan 0.000 0.398 415 T N 1.552 115.982 114.554 -0.205 0.000 2.926 415 T HA -0.042 4.250 4.350 -0.096 0.000 0.307 415 T C 0.188 174.790 174.700 -0.164 0.000 1.059 415 T CA -0.270 61.707 62.100 -0.204 0.000 1.122 415 T CB 0.485 69.195 68.868 -0.263 0.000 0.972 415 T HN 0.575 nan 8.240 nan 0.000 0.545 416 Q N 2.751 122.475 119.800 -0.128 0.000 2.325 416 Q HA 0.353 4.635 4.340 -0.096 0.000 0.256 416 Q C 0.983 176.939 176.000 -0.073 0.000 1.142 416 Q CA 0.564 56.306 55.803 -0.101 0.000 0.902 416 Q CB -0.669 28.020 28.738 -0.081 0.000 1.350 416 Q HN 1.169 nan 8.270 nan 0.000 0.449 417 G N 3.344 112.103 108.800 -0.068 0.000 2.256 417 G HA2 -0.239 3.664 3.960 -0.096 0.000 0.272 417 G HA3 -0.239 3.664 3.960 -0.096 0.000 0.272 417 G C 0.624 175.502 174.900 -0.036 0.000 1.076 417 G CA 0.184 45.257 45.100 -0.046 0.000 0.882 417 G HN 1.544 nan 8.290 nan 0.000 0.497 418 G N -0.848 107.927 108.800 -0.041 0.000 2.321 418 G HA2 -0.049 3.854 3.960 -0.096 0.000 0.287 418 G HA3 -0.049 3.854 3.960 -0.096 0.000 0.287 418 G C 1.669 176.560 174.900 -0.015 0.000 1.018 418 G CA 1.760 46.847 45.100 -0.022 0.000 0.855 418 G HN 2.360 nan 8.290 nan 0.000 0.507 419 S N -1.132 114.546 115.700 -0.036 0.000 2.423 419 S HA 0.280 4.692 4.470 -0.096 0.000 0.231 419 S C 2.407 177.003 174.600 -0.007 0.000 1.014 419 S CA 1.392 59.580 58.200 -0.020 0.000 0.965 419 S CB -0.215 62.969 63.200 -0.027 0.000 0.785 419 S HN 2.361 nan 8.310 nan 0.000 0.495 420 G N 1.277 110.051 108.800 -0.043 0.000 2.148 420 G HA2 -0.232 3.671 3.960 -0.096 0.000 0.254 420 G HA3 -0.232 3.671 3.960 -0.096 0.000 0.254 420 G C -0.287 174.596 174.900 -0.028 0.000 0.981 420 G CA 0.088 45.205 45.100 0.028 0.000 0.670 420 G HN 0.565 nan 8.290 nan 0.000 0.528 421 N N 0.202 118.802 118.700 -0.166 0.000 2.444 421 N HA 0.621 5.304 4.740 -0.096 0.000 0.271 421 N C -0.464 174.902 175.510 -0.240 0.000 1.069 421 N CA 0.135 53.159 53.050 -0.042 0.000 0.965 421 N CB 0.705 39.239 38.487 0.080 0.000 1.092 421 N HN 0.337 nan 8.380 nan 0.000 0.476 422 Y N 0.489 120.916 120.300 0.212 0.000 2.602 422 Y HA 0.619 5.112 4.550 -0.096 0.000 0.342 422 Y C -0.345 175.693 175.900 0.230 0.000 1.029 422 Y CA -1.177 56.995 58.100 0.120 0.000 1.080 422 Y CB 1.677 40.185 38.460 0.080 0.000 1.284 422 Y HN 0.254 nan 8.280 nan 0.000 0.485 423 L N 1.468 122.850 121.223 0.265 0.000 2.436 423 L HA 0.532 4.814 4.340 -0.096 0.000 0.268 423 L C -1.820 175.180 176.870 0.216 0.000 0.974 423 L CA -0.439 54.593 54.840 0.321 0.000 0.826 423 L CB 1.619 43.867 42.059 0.316 0.000 1.291 423 L HN 0.769 nan 8.230 nan 0.000 0.406 424 H N 3.123 122.264 119.070 0.119 0.000 2.609 424 H HA 0.717 5.215 4.556 -0.096 0.000 0.344 424 H C -1.573 173.750 175.328 -0.009 0.000 1.040 424 H CA -0.549 55.525 56.048 0.042 0.000 1.216 424 H CB 1.776 31.555 29.762 0.029 0.000 1.529 424 H HN 0.426 nan 8.280 nan 0.000 0.519 425 V N 4.337 123.890 119.914 -0.602 0.000 2.407 425 V HA 0.657 4.719 4.120 -0.096 0.000 0.278 425 V C 0.073 175.703 176.094 -0.773 0.000 1.037 425 V CA -0.134 61.826 62.300 -0.566 0.000 0.900 425 V CB 0.944 32.580 31.823 -0.311 0.000 0.983 425 V HN 0.966 nan 8.190 nan 0.000 0.459 426 A N 6.236 128.765 122.820 -0.485 0.000 2.331 426 A HA 0.912 5.174 4.320 -0.096 0.000 0.320 426 A C -1.056 176.370 177.584 -0.264 0.000 1.138 426 A CA -0.442 51.433 52.037 -0.270 0.000 0.790 426 A CB 0.864 19.837 19.000 -0.046 0.000 1.206 426 A HN 0.665 nan 8.150 nan 0.000 0.470 427 I N 1.920 122.367 120.570 -0.205 0.000 2.499 427 I HA 0.379 4.492 4.170 -0.096 0.000 0.288 427 I C 1.222 177.260 176.117 -0.131 0.000 1.048 427 I CA 0.005 61.188 61.300 -0.195 0.000 1.062 427 I CB 2.555 40.420 38.000 -0.224 0.000 1.238 427 I HN 0.781 nan 8.210 nan 0.000 0.426 428 T N -0.610 113.876 114.554 -0.114 0.000 2.990 428 T HA 0.216 4.508 4.350 -0.096 0.000 0.250 428 T C 0.768 175.419 174.700 -0.081 0.000 1.041 428 T CA -0.067 61.983 62.100 -0.084 0.000 1.010 428 T CB 0.025 68.853 68.868 -0.068 0.000 1.003 428 T HN 0.370 nan 8.240 nan 0.000 0.499 429 S N 2.957 118.600 115.700 -0.096 0.000 2.564 429 S HA 0.487 4.899 4.470 -0.096 0.000 0.278 429 S C 0.470 175.015 174.600 -0.091 0.000 1.333 429 S CA -0.523 57.624 58.200 -0.087 0.000 1.048 429 S CB 0.914 64.058 63.200 -0.093 0.000 0.900 429 S HN 0.782 nan 8.310 nan 0.000 0.505 430 T N -0.818 113.691 114.554 -0.076 0.000 2.930 430 T HA 0.568 4.860 4.350 -0.096 0.000 0.290 430 T C -0.642 174.012 174.700 -0.076 0.000 1.052 430 T CA -1.097 60.959 62.100 -0.073 0.000 1.017 430 T CB 0.663 69.501 68.868 -0.050 0.000 1.137 430 T HN 0.595 nan 8.240 nan 0.000 0.511 431 E N 0.939 121.091 120.200 -0.080 0.000 2.246 431 E HA -0.134 4.158 4.350 -0.096 0.000 0.173 431 E C -0.252 176.290 176.600 -0.097 0.000 1.532 431 E CA -0.022 56.328 56.400 -0.083 0.000 0.672 431 E CB -1.038 28.628 29.700 -0.057 0.000 1.078 431 E HN 0.480 nan 8.360 nan 0.000 0.338 432 I N 2.074 122.569 120.570 -0.125 0.000 2.496 432 I HA 0.104 4.216 4.170 -0.096 0.000 0.285 432 I C 0.885 176.928 176.117 -0.124 0.000 1.080 432 I CA 0.361 61.590 61.300 -0.119 0.000 1.404 432 I CB 0.410 38.337 38.000 -0.121 0.000 1.403 432 I HN 0.203 nan 8.210 nan 0.000 0.539 433 K N 7.376 127.708 120.400 -0.113 0.000 2.385 433 K HA 0.690 4.953 4.320 -0.096 0.000 0.248 433 K C -2.949 173.569 176.600 -0.137 0.000 0.955 433 K CA -1.971 54.244 56.287 -0.120 0.000 0.816 433 K CB 1.836 34.279 32.500 -0.095 0.000 1.250 433 K HN 0.169 nan 8.250 nan 0.000 0.434 434 P HA 0.037 nan 4.420 nan 0.000 0.268 434 P C 0.443 177.655 177.300 -0.147 0.000 1.204 434 P CA 0.765 63.759 63.100 -0.176 0.000 0.768 434 P CB 0.929 32.537 31.700 -0.154 0.000 0.842 435 G N 1.985 110.662 108.800 -0.206 0.000 2.352 435 G HA2 -0.141 3.761 3.960 -0.096 0.000 0.204 435 G HA3 -0.141 3.761 3.960 -0.096 0.000 0.204 435 G C -0.162 174.674 174.900 -0.107 0.000 1.004 435 G CA -0.359 44.678 45.100 -0.106 0.000 0.648 435 G HN 0.517 nan 8.290 nan 0.000 0.491 436 D N 1.251 121.553 120.400 -0.163 0.000 2.344 436 D HA 0.440 5.022 4.640 -0.096 0.000 0.244 436 D C -0.078 176.171 176.300 -0.085 0.000 1.134 436 D CA 0.013 53.954 54.000 -0.098 0.000 0.930 436 D CB 0.485 41.227 40.800 -0.097 0.000 1.175 436 D HN 0.180 nan 8.370 nan 0.000 0.437 437 N N 1.139 119.835 118.700 -0.008 0.000 2.476 437 N HA 0.264 4.946 4.740 -0.096 0.000 0.257 437 N C -0.973 174.514 175.510 -0.039 0.000 0.970 437 N CA -0.566 52.494 53.050 0.016 0.000 0.938 437 N CB 1.515 40.040 38.487 0.062 0.000 1.144 437 N HN 0.222 nan 8.380 nan 0.000 0.500 438 L N 4.406 125.585 121.223 -0.073 0.000 2.280 438 L HA 0.592 4.875 4.340 -0.096 0.000 0.287 438 L C -2.524 174.265 176.870 -0.135 0.000 1.023 438 L CA -1.820 52.957 54.840 -0.105 0.000 0.819 438 L CB 1.191 43.181 42.059 -0.114 0.000 1.212 438 L HN 0.267 nan 8.230 nan 0.000 0.420 439 P HA 0.137 nan 4.420 nan 0.000 0.267 439 P C -1.213 175.941 177.300 -0.242 0.000 1.209 439 P CA 0.031 63.041 63.100 -0.149 0.000 0.763 439 P CB 0.817 32.449 31.700 -0.113 0.000 0.816 440 V N 4.377 124.097 119.914 -0.323 0.000 2.444 440 V HA 0.315 4.377 4.120 -0.096 0.000 0.294 440 V C 0.168 175.948 176.094 -0.524 0.000 1.022 440 V CA -0.695 61.283 62.300 -0.537 0.000 0.850 440 V CB 1.468 32.760 31.823 -0.885 0.000 0.992 440 V HN 0.448 nan 8.190 nan 0.000 0.426 441 N N 3.478 121.886 118.700 -0.488 0.000 2.438 441 N HA 0.489 5.172 4.740 -0.096 0.000 0.282 441 N C -1.134 174.054 175.510 -0.537 0.000 1.037 441 N CA -0.208 52.632 53.050 -0.350 0.000 0.942 441 N CB 1.774 40.151 38.487 -0.185 0.000 1.136 441 N HN 0.494 nan 8.380 nan 0.000 0.481 442 F N 1.430 121.227 119.950 -0.254 0.000 2.350 442 F HA 0.286 4.755 4.527 -0.096 0.000 0.365 442 F C 0.677 176.371 175.800 -0.176 0.000 1.122 442 F CA -0.768 57.004 58.000 -0.379 0.000 1.139 442 F CB 0.573 38.969 39.000 -1.007 0.000 1.220 442 F HN 0.127 nan 8.300 nan 0.000 0.499 443 N N 3.036 121.783 118.700 0.078 0.000 2.444 443 N HA 0.328 5.010 4.740 -0.096 0.000 0.262 443 N C -1.072 174.568 175.510 0.217 0.000 0.974 443 N CA -0.169 52.969 53.050 0.147 0.000 0.933 443 N CB 2.497 41.081 38.487 0.161 0.000 1.137 443 N HN 0.369 nan 8.380 nan 0.000 0.498 444 V N 2.326 122.368 119.914 0.212 0.000 2.667 444 V HA 0.557 4.619 4.120 -0.096 0.000 0.308 444 V C -0.658 175.549 176.094 0.187 0.000 1.048 444 V CA -0.535 61.906 62.300 0.236 0.000 0.928 444 V CB 1.943 33.869 31.823 0.171 0.000 1.004 444 V HN 0.622 nan 8.190 nan 0.000 0.444 445 K N 3.551 124.094 120.400 0.238 0.000 2.550 445 K HA 0.737 4.999 4.320 -0.096 0.000 0.252 445 K C -0.590 176.176 176.600 0.277 0.000 0.943 445 K CA 0.215 56.633 56.287 0.218 0.000 0.806 445 K CB 1.887 34.507 32.500 0.200 0.000 1.289 445 K HN 1.140 nan 8.250 nan 0.000 0.435 446 G N 1.696 110.616 108.800 0.200 0.000 2.336 446 G HA2 0.081 3.983 3.960 -0.096 0.000 0.286 446 G HA3 0.081 3.983 3.960 -0.096 0.000 0.286 446 G C -1.794 173.176 174.900 0.117 0.000 1.269 446 G CA -0.872 44.339 45.100 0.185 0.000 0.873 446 G HN 0.757 nan 8.290 nan 0.000 0.494 447 N N 0.167 118.923 118.700 0.093 0.000 2.520 447 N HA 0.487 5.169 4.740 -0.096 0.000 0.273 447 N C 1.375 176.912 175.510 0.045 0.000 1.155 447 N CA 0.668 53.757 53.050 0.064 0.000 0.967 447 N CB 1.849 40.368 38.487 0.053 0.000 1.092 447 N HN 1.066 nan 8.380 nan 0.000 0.457 448 A N 3.079 125.921 122.820 0.036 0.000 1.997 448 A HA -0.351 3.911 4.320 -0.096 0.000 0.221 448 A C 1.617 179.208 177.584 0.011 0.000 1.172 448 A CA 2.088 54.138 52.037 0.021 0.000 0.645 448 A CB -1.164 17.848 19.000 0.020 0.000 0.813 448 A HN 0.914 nan 8.150 nan 0.000 0.454 449 N N -0.012 118.696 118.700 0.013 0.000 2.080 449 N HA -0.090 4.592 4.740 -0.096 0.000 0.189 449 N C 1.883 177.394 175.510 0.000 0.000 1.036 449 N CA 1.607 54.661 53.050 0.006 0.000 0.846 449 N CB -0.269 38.224 38.487 0.010 0.000 1.015 449 N HN 0.422 nan 8.380 nan 0.000 0.423 450 S N 0.971 116.677 115.700 0.010 0.000 2.368 450 S HA 0.006 4.419 4.470 -0.096 0.000 0.224 450 S C 1.984 176.571 174.600 -0.021 0.000 1.029 450 S CA 0.695 58.902 58.200 0.010 0.000 0.988 450 S CB -0.468 62.760 63.200 0.046 0.000 0.838 450 S HN 0.196 nan 8.310 nan 0.000 0.462 451 L N 1.671 122.881 121.223 -0.023 0.000 2.043 451 L HA -0.208 4.074 4.340 -0.096 0.000 0.212 451 L C 2.903 179.715 176.870 -0.097 0.000 1.075 451 L CA 1.752 56.548 54.840 -0.073 0.000 0.752 451 L CB -0.951 41.087 42.059 -0.034 0.000 0.891 451 L HN 0.427 nan 8.230 nan 0.000 0.432 452 K N -0.119 120.245 120.400 -0.059 0.000 2.585 452 K HA -0.136 4.126 4.320 -0.096 0.000 0.194 452 K C 1.686 178.240 176.600 -0.075 0.000 1.037 452 K CA 1.190 57.442 56.287 -0.058 0.000 0.964 452 K CB -0.557 31.924 32.500 -0.032 0.000 0.787 452 K HN 0.558 nan 8.250 nan 0.000 0.488 453 Q N -1.117 118.624 119.800 -0.098 0.000 2.280 453 Q HA 0.308 4.590 4.340 -0.096 0.000 0.228 453 Q C -0.216 175.668 176.000 -0.194 0.000 0.857 453 Q CA -0.284 55.453 55.803 -0.110 0.000 0.939 453 Q CB 0.475 29.167 28.738 -0.076 0.000 1.114 453 Q HN 0.614 nan 8.270 nan 0.000 0.514 454 I N 2.047 122.450 120.570 -0.278 0.000 2.483 454 I HA -0.052 4.061 4.170 -0.096 0.000 0.291 454 I C 0.990 176.832 176.117 -0.458 0.000 1.112 454 I CA 0.552 61.569 61.300 -0.472 0.000 1.350 454 I CB 0.455 38.038 38.000 -0.694 0.000 1.419 454 I HN -0.025 nan 8.210 nan 0.000 0.523 455 K N 5.822 125.928 120.400 -0.489 0.000 2.334 455 K HA 0.133 4.395 4.320 -0.096 0.000 0.195 455 K C -0.516 175.983 176.600 -0.169 0.000 1.045 455 K CA 0.480 56.617 56.287 -0.250 0.000 1.004 455 K CB 0.498 32.983 32.500 -0.025 0.000 0.837 455 K HN 0.636 nan 8.250 nan 0.000 0.510 456 Y N -2.661 117.427 120.300 -0.354 0.000 2.705 456 Y HA 0.540 5.032 4.550 -0.096 0.000 0.332 456 Y C -0.975 174.576 175.900 -0.581 0.000 1.221 456 Y CA -1.885 56.008 58.100 -0.345 0.000 1.059 456 Y CB 0.646 39.017 38.460 -0.148 0.000 1.298 456 Y HN -0.322 nan 8.280 nan 0.000 0.459 457 F N -0.139 119.789 119.950 -0.037 0.000 2.546 457 F HA 0.700 5.169 4.527 -0.096 0.000 0.320 457 F C -0.232 175.542 175.800 -0.042 0.000 1.076 457 F CA -0.887 57.022 58.000 -0.152 0.000 0.928 457 F CB 2.652 41.330 39.000 -0.537 0.000 1.189 457 F HN 0.450 nan 8.300 nan 0.000 0.465 458 T N 2.482 117.069 114.554 0.054 0.000 2.771 458 T HA 0.494 4.786 4.350 -0.096 0.000 0.281 458 T C -1.306 173.435 174.700 0.068 0.000 0.982 458 T CA -0.473 61.581 62.100 -0.076 0.000 0.978 458 T CB 0.497 69.116 68.868 -0.415 0.000 0.930 458 T HN 0.458 nan 8.240 nan 0.000 0.447 459 Y N 1.658 121.977 120.300 0.032 0.000 2.536 459 Y HA 0.872 5.364 4.550 -0.096 0.000 0.347 459 Y C -1.819 174.021 175.900 -0.101 0.000 1.000 459 Y CA -1.873 56.179 58.100 -0.081 0.000 1.051 459 Y CB 0.978 39.392 38.460 -0.076 0.000 1.259 459 Y HN 0.344 nan 8.280 nan 0.000 0.468 460 L N 4.150 125.347 121.223 -0.044 0.000 2.409 460 L HA 0.528 4.810 4.340 -0.096 0.000 0.272 460 L C -0.949 175.954 176.870 0.054 0.000 0.980 460 L CA -0.484 54.369 54.840 0.023 0.000 0.826 460 L CB 2.083 44.188 42.059 0.078 0.000 1.268 460 L HN 0.688 nan 8.230 nan 0.000 0.407 461 I N 4.349 125.035 120.570 0.194 0.000 2.336 461 I HA 0.433 4.545 4.170 -0.096 0.000 0.292 461 I C -0.745 175.560 176.117 0.314 0.000 0.991 461 I CA -0.409 61.073 61.300 0.303 0.000 1.227 461 I CB 1.051 39.277 38.000 0.377 0.000 1.366 461 I HN 0.346 nan 8.210 nan 0.000 0.466 462 L N 7.010 128.416 121.223 0.306 0.000 2.341 462 L HA 0.555 4.837 4.340 -0.096 0.000 0.278 462 L C -0.309 176.711 176.870 0.250 0.000 1.005 462 L CA -0.477 54.524 54.840 0.269 0.000 0.818 462 L CB 1.473 43.671 42.059 0.231 0.000 1.259 462 L HN 0.609 nan 8.230 nan 0.000 0.418 463 N N 3.378 122.201 118.700 0.205 0.000 2.336 463 N HA 0.229 4.911 4.740 -0.096 0.000 0.290 463 N C -0.637 174.956 175.510 0.138 0.000 1.058 463 N CA -0.486 52.638 53.050 0.122 0.000 0.865 463 N CB 1.848 40.309 38.487 -0.044 0.000 1.581 463 N HN 0.626 nan 8.380 nan 0.000 0.480 464 K N 2.116 122.592 120.400 0.127 0.000 3.088 464 K HA -0.216 4.046 4.320 -0.096 0.000 0.273 464 K C 0.663 177.341 176.600 0.130 0.000 1.111 464 K CA 0.937 57.320 56.287 0.160 0.000 0.803 464 K CB -1.686 30.957 32.500 0.237 0.000 1.226 464 K HN 1.018 nan 8.250 nan 0.000 0.485 465 G N -0.205 108.649 108.800 0.089 0.000 2.157 465 G HA2 -0.316 3.587 3.960 -0.096 0.000 0.239 465 G HA3 -0.316 3.587 3.960 -0.096 0.000 0.239 465 G C -0.133 174.949 174.900 0.303 0.000 0.982 465 G CA 0.738 45.893 45.100 0.091 0.000 0.650 465 G HN 0.322 nan 8.290 nan 0.000 0.527 466 K N -0.368 120.174 120.400 0.238 0.000 2.328 466 K HA 0.696 4.958 4.320 -0.096 0.000 0.246 466 K C -0.069 176.665 176.600 0.224 0.000 0.955 466 K CA -1.028 55.392 56.287 0.222 0.000 0.817 466 K CB 2.487 35.103 32.500 0.194 0.000 1.208 466 K HN 0.234 nan 8.250 nan 0.000 0.432 467 I N 3.397 124.080 120.570 0.188 0.000 2.379 467 I HA 0.058 4.170 4.170 -0.096 0.000 0.290 467 I C 0.113 176.348 176.117 0.196 0.000 1.063 467 I CA -0.195 61.217 61.300 0.186 0.000 1.351 467 I CB 0.311 38.391 38.000 0.134 0.000 1.410 467 I HN 0.714 nan 8.210 nan 0.000 0.505 468 F N 9.030 129.032 119.950 0.086 0.000 2.104 468 F HA 0.230 4.699 4.527 -0.097 0.000 0.288 468 F C 0.600 176.432 175.800 0.055 0.000 1.107 468 F CA 0.945 58.986 58.000 0.069 0.000 1.208 468 F CB 0.062 39.103 39.000 0.068 0.000 1.033 468 F HN 0.396 nan 8.300 nan 0.000 0.478 469 K N 0.017 120.354 120.400 -0.105 0.000 2.482 469 K HA 0.619 4.881 4.320 -0.096 0.000 0.257 469 K C -2.031 174.544 176.600 -0.042 0.000 0.969 469 K CA -0.838 55.324 56.287 -0.209 0.000 0.842 469 K CB 2.528 34.882 32.500 -0.244 0.000 1.359 469 K HN -0.118 nan 8.250 nan 0.000 0.441 470 V N 1.020 120.860 119.914 -0.123 0.000 2.808 470 V HA 0.761 4.824 4.120 -0.096 0.000 0.308 470 V C -0.175 175.685 176.094 -0.391 0.000 1.099 470 V CA -0.608 61.549 62.300 -0.238 0.000 0.920 470 V CB 1.762 33.492 31.823 -0.155 0.000 1.014 470 V HN 0.984 nan 8.190 nan 0.000 0.425 471 G N 2.917 111.173 108.800 -0.906 0.000 2.682 471 G HA2 0.732 4.634 3.960 -0.096 0.000 0.290 471 G HA3 0.732 4.634 3.960 -0.096 0.000 0.290 471 G C -1.773 172.722 174.900 -0.676 0.000 1.425 471 G CA -0.806 43.869 45.100 -0.707 0.000 0.807 471 G HN 0.415 nan 8.290 nan 0.000 0.482 472 R N -0.281 120.134 120.500 -0.142 0.000 2.711 472 R HA 0.607 4.890 4.340 -0.096 0.000 0.284 472 R C -1.315 175.123 176.300 0.230 0.000 0.968 472 R CA -0.855 55.266 56.100 0.035 0.000 0.924 472 R CB 2.053 32.331 30.300 -0.037 0.000 1.162 472 R HN 0.520 nan 8.270 nan 0.000 0.465 473 Q N 2.506 122.445 119.800 0.232 0.000 2.337 473 Q HA 0.397 4.679 4.340 -0.096 0.000 0.264 473 Q C -2.638 173.458 176.000 0.161 0.000 1.007 473 Q CA -2.133 53.791 55.803 0.202 0.000 0.727 473 Q CB 1.846 30.634 28.738 0.084 0.000 1.256 473 Q HN 0.184 nan 8.270 nan 0.000 0.467 474 P HA 0.173 nan 4.420 nan 0.000 0.271 474 P C -1.142 176.191 177.300 0.056 0.000 1.216 474 P CA -0.168 62.980 63.100 0.081 0.000 0.776 474 P CB 0.595 32.335 31.700 0.066 0.000 0.881 475 R N 3.174 123.645 120.500 -0.048 0.000 2.437 475 R HA 0.403 4.686 4.340 -0.096 0.000 0.310 475 R C -0.257 176.012 176.300 -0.053 0.000 0.955 475 R CA -0.709 55.358 56.100 -0.056 0.000 0.851 475 R CB 1.014 31.168 30.300 -0.244 0.000 1.161 475 R HN 0.464 nan 8.270 nan 0.000 0.446 476 R N 1.660 122.155 120.500 -0.009 0.000 2.549 476 R HA 0.121 4.403 4.340 -0.096 0.000 0.267 476 R C -0.558 175.728 176.300 -0.024 0.000 1.045 476 R CA -0.747 55.345 56.100 -0.012 0.000 1.115 476 R CB 0.542 30.847 30.300 0.008 0.000 1.121 476 R HN 0.559 nan 8.270 nan 0.000 0.543 477 D N -0.501 119.885 120.400 -0.025 0.000 2.424 477 D HA 0.206 4.788 4.640 -0.096 0.000 0.244 477 D C 1.008 177.301 176.300 -0.011 0.000 1.134 477 D CA 1.756 55.740 54.000 -0.028 0.000 0.881 477 D CB 0.772 41.557 40.800 -0.025 0.000 1.191 477 D HN 0.630 nan 8.370 nan 0.000 0.445 478 G N 3.035 111.828 108.800 -0.010 0.000 2.279 478 G HA2 -0.271 3.631 3.960 -0.096 0.000 0.223 478 G HA3 -0.271 3.631 3.960 -0.096 0.000 0.223 478 G C 0.222 175.132 174.900 0.017 0.000 1.015 478 G CA -0.034 45.069 45.100 0.004 0.000 0.621 478 G HN 0.571 nan 8.290 nan 0.000 0.506 479 Q N 1.316 121.128 119.800 0.021 0.000 2.409 479 Q HA 0.308 4.590 4.340 -0.096 0.000 0.240 479 Q C 0.648 176.691 176.000 0.072 0.000 1.226 479 Q CA -0.292 55.541 55.803 0.050 0.000 0.895 479 Q CB 0.174 28.949 28.738 0.063 0.000 1.491 479 Q HN 0.373 nan 8.270 nan 0.000 0.509 480 N N 1.435 120.177 118.700 0.071 0.000 2.353 480 N HA 0.081 4.763 4.740 -0.096 0.000 0.185 480 N C -0.492 175.086 175.510 0.113 0.000 1.098 480 N CA 0.343 53.448 53.050 0.091 0.000 0.872 480 N CB 0.676 39.205 38.487 0.069 0.000 0.970 480 N HN 0.389 nan 8.380 nan 0.000 0.467 481 L N 1.051 122.335 121.223 0.101 0.000 2.372 481 L HA 0.441 4.723 4.340 -0.096 0.000 0.273 481 L C -1.369 175.567 176.870 0.111 0.000 0.989 481 L CA -0.518 54.379 54.840 0.094 0.000 0.841 481 L CB 1.708 43.804 42.059 0.061 0.000 1.225 481 L HN -0.311 nan 8.230 nan 0.000 0.414 482 V N 2.902 122.902 119.914 0.143 0.000 2.444 482 V HA 0.458 4.520 4.120 -0.096 0.000 0.294 482 V C -0.000 176.196 176.094 0.171 0.000 1.022 482 V CA -0.483 61.924 62.300 0.178 0.000 0.850 482 V CB 1.990 33.976 31.823 0.271 0.000 0.992 482 V HN 0.735 nan 8.190 nan 0.000 0.426 483 T N 6.250 120.869 114.554 0.109 0.000 2.823 483 T HA 0.828 5.120 4.350 -0.096 0.000 0.279 483 T C -0.533 174.210 174.700 0.072 0.000 0.998 483 T CA -0.551 61.579 62.100 0.049 0.000 0.994 483 T CB 1.150 70.012 68.868 -0.011 0.000 0.960 483 T HN 0.760 nan 8.240 nan 0.000 0.448 484 M N 2.936 122.560 119.600 0.039 0.000 2.719 484 M HA 0.702 5.125 4.480 -0.096 0.000 0.291 484 M C -1.079 175.195 176.300 -0.044 0.000 1.264 484 M CA -1.009 54.318 55.300 0.044 0.000 0.811 484 M CB 1.785 34.469 32.600 0.139 0.000 1.756 484 M HN 0.488 nan 8.290 nan 0.000 0.464 485 N N 0.804 119.492 118.700 -0.021 0.000 2.400 485 N HA 0.645 5.328 4.740 -0.096 0.000 0.288 485 N C -2.103 173.381 175.510 -0.042 0.000 1.024 485 N CA -0.640 52.386 53.050 -0.040 0.000 0.894 485 N CB 1.644 40.129 38.487 -0.004 0.000 1.173 485 N HN 0.758 nan 8.380 nan 0.000 0.487 486 L N 3.386 124.561 121.223 -0.081 0.000 2.319 486 L HA 0.418 4.700 4.340 -0.096 0.000 0.281 486 L C -1.118 175.733 176.870 -0.032 0.000 1.005 486 L CA -0.737 54.063 54.840 -0.067 0.000 0.828 486 L CB 0.681 42.642 42.059 -0.162 0.000 1.227 486 L HN 0.743 nan 8.230 nan 0.000 0.415 487 H N 4.534 123.567 119.070 -0.061 0.000 2.668 487 H HA 0.513 5.011 4.556 -0.096 0.000 0.303 487 H C -0.857 174.420 175.328 -0.084 0.000 1.074 487 H CA -0.115 55.899 56.048 -0.057 0.000 1.406 487 H CB 0.675 30.422 29.762 -0.024 0.000 1.442 487 H HN 0.626 nan 8.280 nan 0.000 0.482 488 I N 5.240 125.438 120.570 -0.621 0.000 2.325 488 I HA 0.145 4.258 4.170 -0.096 0.000 0.291 488 I C 0.660 176.469 176.117 -0.513 0.000 1.019 488 I CA 0.005 61.015 61.300 -0.483 0.000 1.302 488 I CB 1.176 38.974 38.000 -0.336 0.000 1.401 488 I HN 0.770 nan 8.210 nan 0.000 0.485 489 T N 3.157 117.529 114.554 -0.304 0.000 2.923 489 T HA 0.483 4.775 4.350 -0.096 0.000 0.281 489 T C -2.048 172.546 174.700 -0.176 0.000 0.995 489 T CA -1.973 60.026 62.100 -0.168 0.000 0.985 489 T CB 1.509 70.363 68.868 -0.023 0.000 1.114 489 T HN 0.249 nan 8.240 nan 0.000 0.548 490 P HA 0.043 nan 4.420 nan 0.000 0.228 490 P C 0.876 178.095 177.300 -0.135 0.000 1.151 490 P CA 0.547 63.579 63.100 -0.114 0.000 0.770 490 P CB -0.019 31.656 31.700 -0.042 0.000 0.786 491 D N -0.680 119.622 120.400 -0.164 0.000 2.263 491 D HA -0.068 4.514 4.640 -0.096 0.000 0.208 491 D C 1.470 177.520 176.300 -0.416 0.000 0.971 491 D CA 0.935 54.776 54.000 -0.265 0.000 0.867 491 D CB -0.068 40.524 40.800 -0.346 0.000 0.929 491 D HN 0.273 nan 8.370 nan 0.000 0.492 492 L N 0.733 121.718 121.223 -0.398 0.000 2.612 492 L HA 0.181 4.463 4.340 -0.096 0.000 0.230 492 L C 0.863 177.594 176.870 -0.232 0.000 1.140 492 L CA -0.139 54.498 54.840 -0.337 0.000 0.896 492 L CB 0.091 41.913 42.059 -0.395 0.000 1.065 492 L HN -0.147 nan 8.230 nan 0.000 0.447 493 I N 1.862 122.245 120.570 -0.312 0.000 2.575 493 I HA 0.073 4.185 4.170 -0.096 0.000 0.285 493 I C -1.173 174.627 176.117 -0.528 0.000 1.085 493 I CA -1.306 59.672 61.300 -0.536 0.000 1.403 493 I CB 1.099 38.656 38.000 -0.737 0.000 1.409 493 I HN -0.122 nan 8.210 nan 0.000 0.557 494 P HA 0.047 nan 4.420 nan 0.000 0.257 494 P C -0.467 176.626 177.300 -0.344 0.000 1.241 494 P CA 0.368 63.106 63.100 -0.603 0.000 0.816 494 P CB 0.375 31.828 31.700 -0.411 0.000 1.150 495 S N -0.706 114.849 115.700 -0.242 0.000 2.614 495 S HA 0.608 5.020 4.470 -0.096 0.000 0.280 495 S C -1.108 173.402 174.600 -0.149 0.000 1.111 495 S CA -0.954 57.043 58.200 -0.339 0.000 0.847 495 S CB 0.354 63.301 63.200 -0.421 0.000 1.079 495 S HN 0.057 nan 8.310 nan 0.000 0.452 496 F N -0.408 119.335 119.950 -0.346 0.000 2.620 496 F HA 0.896 5.365 4.527 -0.097 0.000 0.320 496 F C -0.466 175.258 175.800 -0.127 0.000 1.069 496 F CA -1.279 56.619 58.000 -0.170 0.000 0.953 496 F CB 1.307 40.228 39.000 -0.133 0.000 1.322 496 F HN 0.724 nan 8.300 nan 0.000 0.479 497 R N 1.204 121.800 120.500 0.160 0.000 2.514 497 R HA 0.500 4.782 4.340 -0.096 0.000 0.301 497 R C -1.982 174.523 176.300 0.341 0.000 0.962 497 R CA -0.769 55.415 56.100 0.141 0.000 0.882 497 R CB 2.045 32.459 30.300 0.191 0.000 1.143 497 R HN 0.747 nan 8.270 nan 0.000 0.452 498 F N 3.964 123.985 119.950 0.119 0.000 2.361 498 F HA 0.379 4.849 4.527 -0.096 0.000 0.364 498 F C -0.711 175.146 175.800 0.095 0.000 1.117 498 F CA -0.693 57.408 58.000 0.168 0.000 1.071 498 F CB 1.199 40.269 39.000 0.117 0.000 1.188 498 F HN 0.188 nan 8.300 nan 0.000 0.464 499 V N 6.029 125.793 119.914 -0.251 0.000 2.604 499 V HA 0.961 5.023 4.120 -0.096 0.000 0.305 499 V C -1.288 174.686 176.094 -0.200 0.000 1.043 499 V CA -0.123 62.077 62.300 -0.166 0.000 0.888 499 V CB 1.224 32.974 31.823 -0.121 0.000 0.995 499 V HN 1.034 nan 8.190 nan 0.000 0.429 500 A N 5.601 128.416 122.820 -0.009 0.000 2.498 500 A HA 1.006 5.269 4.320 -0.096 0.000 0.298 500 A C -1.404 176.364 177.584 0.307 0.000 1.075 500 A CA -0.439 51.719 52.037 0.202 0.000 0.714 500 A CB 1.913 21.189 19.000 0.461 0.000 1.299 500 A HN 2.109 nan 8.150 nan 0.000 0.407 501 Y N -0.921 119.540 120.300 0.267 0.000 2.552 501 Y HA 0.718 5.210 4.550 -0.096 0.000 0.337 501 Y C -1.179 174.908 175.900 0.311 0.000 1.094 501 Y CA -1.479 56.760 58.100 0.231 0.000 1.028 501 Y CB 0.633 39.223 38.460 0.216 0.000 1.321 501 Y HN 1.019 nan 8.280 nan 0.000 0.456 502 Y N 0.962 121.429 120.300 0.278 0.000 2.567 502 Y HA 0.833 5.325 4.550 -0.096 0.000 0.333 502 Y C -1.117 174.850 175.900 0.112 0.000 1.106 502 Y CA -1.257 56.851 58.100 0.013 0.000 1.157 502 Y CB 1.655 40.034 38.460 -0.136 0.000 1.277 502 Y HN 0.699 nan 8.280 nan 0.000 0.490 503 Q N 0.360 120.201 119.800 0.069 0.000 2.353 503 Q HA 0.694 4.976 4.340 -0.096 0.000 0.268 503 Q C -2.086 173.909 176.000 -0.009 0.000 1.045 503 Q CA -1.008 54.782 55.803 -0.022 0.000 0.811 503 Q CB 2.178 30.805 28.738 -0.186 0.000 1.305 503 Q HN 0.625 nan 8.270 nan 0.000 0.447 504 V N 2.575 122.502 119.914 0.022 0.000 2.370 504 V HA 0.625 4.687 4.120 -0.096 0.000 0.283 504 V C 0.996 177.080 176.094 -0.016 0.000 1.023 504 V CA 0.115 62.427 62.300 0.019 0.000 0.857 504 V CB 0.978 32.843 31.823 0.071 0.000 0.985 504 V HN 1.094 nan 8.190 nan 0.000 0.443 505 G N 5.172 113.956 108.800 -0.026 0.000 2.390 505 G HA2 -0.302 3.600 3.960 -0.096 0.000 0.299 505 G HA3 -0.302 3.600 3.960 -0.096 0.000 0.299 505 G C 0.516 175.403 174.900 -0.021 0.000 1.002 505 G CA 0.564 45.652 45.100 -0.020 0.000 0.979 505 G HN 0.975 nan 8.290 nan 0.000 0.513 506 N N -0.965 117.721 118.700 -0.024 0.000 2.681 506 N HA -0.233 4.449 4.740 -0.096 0.000 0.250 506 N C 1.095 176.586 175.510 -0.031 0.000 1.133 506 N CA 1.841 54.878 53.050 -0.021 0.000 0.732 506 N CB -0.998 37.475 38.487 -0.023 0.000 1.107 506 N HN 1.141 nan 8.380 nan 0.000 0.559 507 N N -1.393 117.288 118.700 -0.032 0.000 1.885 507 N HA -0.041 4.641 4.740 -0.096 0.000 0.229 507 N C -0.226 175.258 175.510 -0.043 0.000 1.411 507 N CA -0.118 52.910 53.050 -0.037 0.000 0.790 507 N CB 0.587 39.054 38.487 -0.033 0.000 1.064 507 N HN 0.363 nan 8.380 nan 0.000 0.492 508 E N 1.309 121.485 120.200 -0.040 0.000 2.174 508 E HA 0.451 4.743 4.350 -0.096 0.000 0.282 508 E C -0.949 175.615 176.600 -0.061 0.000 0.992 508 E CA -0.491 55.881 56.400 -0.047 0.000 0.803 508 E CB 1.168 30.849 29.700 -0.031 0.000 1.090 508 E HN 0.190 nan 8.360 nan 0.000 0.396 509 I N 4.434 124.958 120.570 -0.076 0.000 2.404 509 I HA 0.264 4.376 4.170 -0.096 0.000 0.293 509 I C -0.864 175.197 176.117 -0.094 0.000 0.992 509 I CA -0.944 60.309 61.300 -0.078 0.000 1.149 509 I CB 1.916 39.845 38.000 -0.118 0.000 1.315 509 I HN 0.281 nan 8.210 nan 0.000 0.446 510 V N 5.562 125.333 119.914 -0.238 0.000 2.444 510 V HA 0.829 4.891 4.120 -0.096 0.000 0.294 510 V C -0.080 175.933 176.094 -0.136 0.000 1.022 510 V CA -0.458 61.663 62.300 -0.299 0.000 0.850 510 V CB 1.299 32.654 31.823 -0.780 0.000 0.992 510 V HN 0.822 nan 8.190 nan 0.000 0.426 511 A N 3.417 126.258 122.820 0.035 0.000 2.515 511 A HA 0.942 5.204 4.320 -0.096 0.000 0.296 511 A C -1.417 176.141 177.584 -0.044 0.000 1.094 511 A CA -0.468 51.601 52.037 0.054 0.000 0.718 511 A CB 2.229 21.251 19.000 0.037 0.000 1.307 511 A HN 0.746 nan 8.150 nan 0.000 0.408 512 D N -0.902 119.481 120.400 -0.028 0.000 2.602 512 D HA 0.708 5.290 4.640 -0.096 0.000 0.236 512 D C -0.739 175.546 176.300 -0.025 0.000 1.209 512 D CA 0.518 54.500 54.000 -0.030 0.000 0.831 512 D CB 2.162 42.956 40.800 -0.011 0.000 1.478 512 D HN 0.920 nan 8.370 nan 0.000 0.438 513 S N 0.031 115.733 115.700 0.003 0.000 2.579 513 S HA 0.802 5.214 4.470 -0.096 0.000 0.272 513 S C -1.696 172.941 174.600 0.062 0.000 1.141 513 S CA -0.737 57.483 58.200 0.035 0.000 0.843 513 S CB 1.643 64.851 63.200 0.013 0.000 1.122 513 S HN 0.514 nan 8.310 nan 0.000 0.468 514 V N 1.107 121.073 119.914 0.088 0.000 2.971 514 V HA 0.752 4.814 4.120 -0.096 0.000 0.309 514 V C -2.103 174.040 176.094 0.083 0.000 1.130 514 V CA -0.674 61.663 62.300 0.060 0.000 0.964 514 V CB 2.191 33.991 31.823 -0.038 0.000 1.029 514 V HN 1.061 nan 8.190 nan 0.000 0.427 515 W N 5.770 126.994 121.300 -0.127 0.000 2.376 515 W HA 0.731 5.332 4.660 -0.097 0.000 0.312 515 W C -1.207 175.119 176.519 -0.321 0.000 1.060 515 W CA -0.506 56.719 57.345 -0.199 0.000 1.221 515 W CB 1.596 30.976 29.460 -0.134 0.000 1.281 515 W HN 0.438 nan 8.180 nan 0.000 0.456 516 V N 6.883 126.082 119.914 -1.192 0.000 2.378 516 V HA 0.140 4.202 4.120 -0.096 0.000 0.288 516 V C -0.038 175.111 176.094 -1.576 0.000 1.016 516 V CA -0.815 60.703 62.300 -1.303 0.000 0.840 516 V CB 1.090 32.065 31.823 -1.413 0.000 0.994 516 V HN 0.462 nan 8.190 nan 0.000 0.431 517 D N 3.198 122.774 120.400 -1.373 0.000 2.372 517 D HA 0.428 5.010 4.640 -0.096 0.000 0.243 517 D C -0.541 175.432 176.300 -0.544 0.000 1.121 517 D CA 0.276 53.669 54.000 -1.012 0.000 0.898 517 D CB 1.853 42.272 40.800 -0.635 0.000 1.202 517 D HN 0.288 nan 8.370 nan 0.000 0.428 518 V N 3.173 122.846 119.914 -0.401 0.000 2.823 518 V HA 0.245 4.307 4.120 -0.096 0.000 0.312 518 V C 0.262 176.191 176.094 -0.275 0.000 1.072 518 V CA -1.113 61.024 62.300 -0.273 0.000 0.937 518 V CB 2.026 33.716 31.823 -0.221 0.000 1.013 518 V HN 0.474 nan 8.190 nan 0.000 0.430 519 K N 2.317 122.583 120.400 -0.223 0.000 2.447 519 K HA 0.040 4.303 4.320 -0.096 0.000 0.281 519 K C -0.533 175.902 176.600 -0.276 0.000 1.031 519 K CA -0.153 56.016 56.287 -0.197 0.000 1.019 519 K CB 0.319 32.735 32.500 -0.140 0.000 0.918 519 K HN 0.633 nan 8.250 nan 0.000 0.476 520 D N 4.516 124.755 120.400 -0.269 0.000 2.483 520 D HA 0.025 4.607 4.640 -0.096 0.000 0.220 520 D C 0.345 176.542 176.300 -0.172 0.000 1.173 520 D CA 0.102 53.850 54.000 -0.420 0.000 0.964 520 D CB 0.646 41.270 40.800 -0.293 0.000 1.046 520 D HN 0.618 nan 8.370 nan 0.000 0.517 521 T N -2.163 112.303 114.554 -0.146 0.000 2.876 521 T HA 0.365 4.657 4.350 -0.096 0.000 0.277 521 T C 0.669 175.521 174.700 0.254 0.000 0.997 521 T CA -0.702 61.427 62.100 0.049 0.000 0.966 521 T CB 0.751 69.619 68.868 0.000 0.000 1.312 521 T HN 0.234 nan 8.240 nan 0.000 0.598 522 C N 0.922 120.338 119.300 0.193 0.000 2.689 522 C HA 0.236 4.639 4.460 -0.096 0.000 0.409 522 C C 2.279 177.373 174.990 0.173 0.000 1.293 522 C CA -0.392 58.746 59.018 0.199 0.000 2.136 522 C CB -0.570 27.212 27.740 0.071 0.000 2.719 522 C HN 0.993 nan 8.230 nan 0.000 0.644 523 M N 1.658 121.384 119.600 0.209 0.000 2.099 523 M HA 0.033 4.455 4.480 -0.096 0.000 0.262 523 M C 1.464 177.806 176.300 0.070 0.000 1.067 523 M CA 2.166 57.550 55.300 0.139 0.000 1.124 523 M CB -0.347 32.354 32.600 0.168 0.000 1.353 523 M HN 0.972 nan 8.290 nan 0.000 0.410 524 G N -1.368 107.467 108.800 0.059 0.000 3.227 524 G HA2 0.408 4.310 3.960 -0.096 0.000 0.171 524 G HA3 0.408 4.310 3.960 -0.096 0.000 0.171 524 G C -0.863 174.053 174.900 0.027 0.000 1.463 524 G CA -0.261 44.861 45.100 0.037 0.000 1.016 524 G HN 0.286 nan 8.290 nan 0.000 0.594 525 T N -0.263 114.302 114.554 0.017 0.000 2.993 525 T HA 0.533 4.826 4.350 -0.096 0.000 0.312 525 T C -1.696 173.007 174.700 0.004 0.000 1.115 525 T CA -0.158 61.949 62.100 0.011 0.000 1.027 525 T CB 1.956 70.832 68.868 0.012 0.000 1.116 525 T HN 0.445 nan 8.240 nan 0.000 0.464 526 L N 3.566 124.788 121.223 -0.002 0.000 2.580 526 L HA 0.734 5.016 4.340 -0.096 0.000 0.266 526 L C -1.604 175.263 176.870 -0.005 0.000 0.955 526 L CA -0.393 54.444 54.840 -0.006 0.000 0.886 526 L CB 1.574 43.621 42.059 -0.020 0.000 1.263 526 L HN 0.542 nan 8.230 nan 0.000 0.406 527 V N 4.665 124.580 119.914 0.000 0.000 2.735 527 V HA 0.604 4.666 4.120 -0.096 0.000 0.310 527 V C -0.680 175.416 176.094 0.004 0.000 1.061 527 V CA -0.830 61.471 62.300 0.002 0.000 0.913 527 V CB 2.283 34.108 31.823 0.003 0.000 1.005 527 V HN 0.358 nan 8.190 nan 0.000 0.428 528 V N 4.048 123.964 119.914 0.004 0.000 2.293 528 V HA 0.382 4.444 4.120 -0.096 0.000 0.275 528 V C 0.098 176.195 176.094 0.005 0.000 1.021 528 V CA -0.724 61.580 62.300 0.006 0.000 0.815 528 V CB 1.069 32.896 31.823 0.007 0.000 1.025 528 V HN 0.778 nan 8.190 nan 0.000 0.448 529 K N 2.949 123.353 120.400 0.006 0.000 2.172 529 K HA 0.761 5.023 4.320 -0.096 0.000 0.276 529 K C 0.322 176.925 176.600 0.005 0.000 1.013 529 K CA -0.211 56.079 56.287 0.005 0.000 0.913 529 K CB 2.023 34.526 32.500 0.005 0.000 1.055 529 K HN 0.836 nan 8.250 nan 0.000 0.461 530 G N 0.413 109.215 108.800 0.004 0.000 2.682 530 G HA2 0.074 3.976 3.960 -0.096 0.000 0.290 530 G HA3 0.074 3.976 3.960 -0.096 0.000 0.290 530 G C -0.131 174.771 174.900 0.003 0.000 1.425 530 G CA -0.615 44.488 45.100 0.004 0.000 0.807 530 G HN 0.672 nan 8.290 nan 0.000 0.482 531 D N -0.856 119.546 120.400 0.004 0.000 2.194 531 D HA -0.076 4.507 4.640 -0.096 0.000 0.204 531 D C -0.112 176.190 176.300 0.003 0.000 0.964 531 D CA 0.494 54.496 54.000 0.003 0.000 0.846 531 D CB -0.036 40.767 40.800 0.004 0.000 0.962 531 D HN 0.379 nan 8.370 nan 0.000 0.490 532 N N 0.298 119.000 118.700 0.003 0.000 2.753 532 N HA -0.144 4.538 4.740 -0.096 0.000 0.252 532 N C -0.675 174.837 175.510 0.005 0.000 1.071 532 N CA 0.659 53.711 53.050 0.003 0.000 0.690 532 N CB -1.759 36.730 38.487 0.002 0.000 0.906 532 N HN 0.503 nan 8.380 nan 0.000 0.552 533 L N -2.817 118.409 121.223 0.006 0.000 2.370 533 L HA 0.740 5.022 4.340 -0.096 0.000 0.266 533 L C 0.245 177.120 176.870 0.008 0.000 1.002 533 L CA -1.008 53.836 54.840 0.007 0.000 0.818 533 L CB 1.277 43.339 42.059 0.005 0.000 1.325 533 L HN 0.052 nan 8.230 nan 0.000 0.418 534 I N 3.040 123.616 120.570 0.011 0.000 2.710 534 I HA 0.135 4.247 4.170 -0.096 0.000 0.286 534 I C 0.297 176.418 176.117 0.007 0.000 1.181 534 I CA 0.374 61.682 61.300 0.013 0.000 1.430 534 I CB 0.351 38.361 38.000 0.018 0.000 1.367 534 I HN 0.671 nan 8.210 nan 0.000 0.577 535 Q N 5.881 125.685 119.800 0.006 0.000 2.572 535 Q HA 0.665 4.947 4.340 -0.096 0.000 0.284 535 Q C -0.873 175.124 176.000 -0.004 0.000 1.091 535 Q CA -0.921 54.883 55.803 0.002 0.000 0.840 535 Q CB 2.644 31.384 28.738 0.004 0.000 1.433 535 Q HN 0.560 nan 8.270 nan 0.000 0.471 536 M N 1.382 120.978 119.600 -0.007 0.000 2.464 536 M HA 0.378 4.800 4.480 -0.096 0.000 0.308 536 M C -2.393 173.900 176.300 -0.011 0.000 1.127 536 M CA -1.858 53.434 55.300 -0.014 0.000 0.913 536 M CB 2.175 34.766 32.600 -0.016 0.000 1.689 536 M HN 0.138 nan 8.290 nan 0.000 0.445 537 P HA 0.098 nan 4.420 nan 0.000 0.257 537 P C 0.620 177.915 177.300 -0.008 0.000 1.189 537 P CA 1.046 64.139 63.100 -0.011 0.000 0.780 537 P CB 0.099 31.789 31.700 -0.018 0.000 0.772 538 G N 2.424 111.222 108.800 -0.003 0.000 2.238 538 G HA2 -0.118 3.785 3.960 -0.096 0.000 0.217 538 G HA3 -0.118 3.785 3.960 -0.096 0.000 0.217 538 G C 0.430 175.329 174.900 -0.001 0.000 0.996 538 G CA -0.141 44.958 45.100 -0.002 0.000 0.632 538 G HN 0.819 nan 8.290 nan 0.000 0.503 539 A N 0.684 123.503 122.820 -0.002 0.000 2.531 539 A HA 0.662 4.924 4.320 -0.096 0.000 0.236 539 A C 1.123 178.708 177.584 0.001 0.000 1.062 539 A CA 1.174 53.210 52.037 -0.001 0.000 0.760 539 A CB 0.198 19.197 19.000 -0.002 0.000 0.995 539 A HN 2.149 nan 8.150 nan 0.000 0.501 540 A N 3.956 126.777 122.820 0.002 0.000 2.492 540 A HA 0.507 4.769 4.320 -0.096 0.000 0.254 540 A C 0.405 177.992 177.584 0.004 0.000 1.091 540 A CA 0.246 52.284 52.037 0.003 0.000 0.768 540 A CB -0.208 18.794 19.000 0.003 0.000 1.028 540 A HN 0.794 nan 8.150 nan 0.000 0.498 541 M N 1.771 121.374 119.600 0.005 0.000 2.578 541 M HA 0.479 4.902 4.480 -0.096 0.000 0.321 541 M C -0.297 176.007 176.300 0.007 0.000 1.182 541 M CA -0.262 55.042 55.300 0.006 0.000 0.965 541 M CB 1.990 34.595 32.600 0.007 0.000 1.694 541 M HN 0.723 nan 8.290 nan 0.000 0.461 542 K N 2.928 123.332 120.400 0.007 0.000 2.637 542 K HA 0.575 4.837 4.320 -0.096 0.000 0.248 542 K C -1.397 175.208 176.600 0.008 0.000 0.971 542 K CA -0.307 55.984 56.287 0.007 0.000 0.858 542 K CB 1.664 34.168 32.500 0.006 0.000 1.170 542 K HN 0.703 nan 8.250 nan 0.000 0.443 543 I N -0.758 119.817 120.570 0.009 0.000 2.693 543 I HA 0.572 4.684 4.170 -0.096 0.000 0.303 543 I C -0.826 175.297 176.117 0.010 0.000 1.025 543 I CA -0.935 60.370 61.300 0.009 0.000 1.086 543 I CB 1.904 39.910 38.000 0.010 0.000 1.268 543 I HN 0.267 nan 8.210 nan 0.000 0.440 544 K N 4.573 124.978 120.400 0.009 0.000 2.259 544 K HA 0.659 4.921 4.320 -0.096 0.000 0.252 544 K C -1.677 174.929 176.600 0.010 0.000 0.936 544 K CA -0.749 55.544 56.287 0.009 0.000 0.810 544 K CB 1.888 34.393 32.500 0.008 0.000 1.143 544 K HN 0.712 nan 8.250 nan 0.000 0.427 545 L N 3.747 124.976 121.223 0.011 0.000 2.343 545 L HA 0.387 4.669 4.340 -0.096 0.000 0.278 545 L C -0.708 176.169 176.870 0.012 0.000 0.996 545 L CA -0.578 54.269 54.840 0.012 0.000 0.831 545 L CB 1.814 43.882 42.059 0.015 0.000 1.232 545 L HN 0.613 nan 8.230 nan 0.000 0.413 546 E N 2.278 122.484 120.200 0.010 0.000 2.145 546 E HA 0.659 4.952 4.350 -0.096 0.000 0.270 546 E C -0.119 176.487 176.600 0.010 0.000 0.906 546 E CA -0.356 56.050 56.400 0.010 0.000 0.761 546 E CB 2.364 32.069 29.700 0.009 0.000 1.116 546 E HN 0.745 nan 8.360 nan 0.000 0.408 547 G N 2.439 111.247 108.800 0.013 0.000 2.815 547 G HA2 0.199 4.102 3.960 -0.096 0.000 0.305 547 G HA3 0.199 4.102 3.960 -0.096 0.000 0.305 547 G C -1.230 173.680 174.900 0.017 0.000 1.277 547 G CA -0.674 44.434 45.100 0.014 0.000 0.795 547 G HN 0.384 nan 8.290 nan 0.000 0.528 548 D N 1.471 121.884 120.400 0.021 0.000 2.264 548 D HA 0.390 4.972 4.640 -0.096 0.000 0.249 548 D C -1.986 174.329 176.300 0.026 0.000 1.070 548 D CA -0.660 53.355 54.000 0.024 0.000 0.912 548 D CB 1.641 42.458 40.800 0.028 0.000 1.193 548 D HN 0.090 nan 8.370 nan 0.000 0.427 549 P HA 0.116 nan 4.420 nan 0.000 0.267 549 P C 0.696 178.013 177.300 0.030 0.000 1.205 549 P CA 0.027 63.142 63.100 0.026 0.000 0.765 549 P CB 0.645 32.359 31.700 0.024 0.000 0.828 550 G N 1.689 110.507 108.800 0.030 0.000 2.136 550 G HA2 -0.090 3.812 3.960 -0.096 0.000 0.242 550 G HA3 -0.090 3.812 3.960 -0.096 0.000 0.242 550 G C 0.326 175.249 174.900 0.040 0.000 0.989 550 G CA -0.032 45.089 45.100 0.034 0.000 0.682 550 G HN 0.895 nan 8.290 nan 0.000 0.522 551 A N 0.107 122.950 122.820 0.039 0.000 2.363 551 A HA 0.738 5.000 4.320 -0.096 0.000 0.270 551 A C 0.728 178.344 177.584 0.054 0.000 1.121 551 A CA -0.224 51.841 52.037 0.046 0.000 0.800 551 A CB 0.364 19.387 19.000 0.038 0.000 1.052 551 A HN 0.469 nan 8.150 nan 0.000 0.493 552 R N 1.736 122.280 120.500 0.072 0.000 2.196 552 R HA 0.432 4.714 4.340 -0.096 0.000 0.340 552 R C -1.144 175.220 176.300 0.107 0.000 1.043 552 R CA -0.319 55.833 56.100 0.086 0.000 0.883 552 R CB 1.123 31.483 30.300 0.100 0.000 1.078 552 R HN 0.462 nan 8.270 nan 0.000 0.462 553 V N 2.265 122.231 119.914 0.087 0.000 2.435 553 V HA 0.512 4.574 4.120 -0.096 0.000 0.290 553 V C 0.604 176.760 176.094 0.104 0.000 1.030 553 V CA -0.777 61.573 62.300 0.083 0.000 0.881 553 V CB 1.855 33.708 31.823 0.049 0.000 0.983 553 V HN 0.913 nan 8.190 nan 0.000 0.445 554 G N 4.594 113.478 108.800 0.139 0.000 2.416 554 G HA2 0.721 4.623 3.960 -0.096 0.000 0.324 554 G HA3 0.721 4.623 3.960 -0.096 0.000 0.324 554 G C -1.115 173.846 174.900 0.102 0.000 1.194 554 G CA -0.473 44.715 45.100 0.147 0.000 0.922 554 G HN 0.561 nan 8.290 nan 0.000 0.467 555 L N 1.386 122.653 121.223 0.072 0.000 2.319 555 L HA 0.864 5.147 4.340 -0.096 0.000 0.267 555 L C -0.385 176.518 176.870 0.055 0.000 1.011 555 L CA -1.276 53.597 54.840 0.056 0.000 0.818 555 L CB 2.392 44.476 42.059 0.042 0.000 1.316 555 L HN 0.398 nan 8.230 nan 0.000 0.432 556 V N 0.539 120.486 119.914 0.056 0.000 3.098 556 V HA 0.836 4.898 4.120 -0.096 0.000 0.294 556 V C -1.594 174.536 176.094 0.061 0.000 1.351 556 V CA -0.247 62.088 62.300 0.058 0.000 0.999 556 V CB 2.206 34.071 31.823 0.070 0.000 1.104 556 V HN 0.857 nan 8.190 nan 0.000 0.438 557 A N 5.194 128.048 122.820 0.057 0.000 2.318 557 A HA 0.897 5.160 4.320 -0.096 0.000 0.317 557 A C -1.238 176.388 177.584 0.070 0.000 1.159 557 A CA -0.514 51.557 52.037 0.056 0.000 0.799 557 A CB 1.718 20.741 19.000 0.039 0.000 1.194 557 A HN 1.223 nan 8.150 nan 0.000 0.479 558 V N 2.460 122.431 119.914 0.095 0.000 2.540 558 V HA 0.273 4.335 4.120 -0.096 0.000 0.302 558 V C -0.311 175.841 176.094 0.097 0.000 1.035 558 V CA -0.853 61.523 62.300 0.127 0.000 0.873 558 V CB 1.860 33.831 31.823 0.248 0.000 0.992 558 V HN 0.964 nan 8.190 nan 0.000 0.428 559 D N 3.291 123.742 120.400 0.085 0.000 2.450 559 D HA -0.017 4.565 4.640 -0.096 0.000 0.247 559 D C 1.101 177.445 176.300 0.074 0.000 1.162 559 D CA 0.341 54.381 54.000 0.066 0.000 0.879 559 D CB 1.001 41.843 40.800 0.070 0.000 1.163 559 D HN 0.628 nan 8.370 nan 0.000 0.472 560 K N 3.000 123.399 120.400 -0.001 0.000 2.362 560 K HA -0.186 4.076 4.320 -0.096 0.000 0.202 560 K C 1.550 178.174 176.600 0.040 0.000 1.045 560 K CA 1.133 57.372 56.287 -0.080 0.000 0.936 560 K CB 0.017 32.443 32.500 -0.124 0.000 0.747 560 K HN 0.495 nan 8.250 nan 0.000 0.467 561 A N 0.262 123.125 122.820 0.071 0.000 2.121 561 A HA -0.069 4.193 4.320 -0.096 0.000 0.218 561 A C 1.970 179.617 177.584 0.105 0.000 1.154 561 A CA 1.216 53.300 52.037 0.078 0.000 0.679 561 A CB -0.202 18.850 19.000 0.087 0.000 0.795 561 A HN 0.162 nan 8.150 nan 0.000 0.458 562 V N -1.842 118.166 119.914 0.156 0.000 2.488 562 V HA -0.241 3.821 4.120 -0.096 0.000 0.246 562 V C 2.191 178.360 176.094 0.125 0.000 1.046 562 V CA 1.444 63.821 62.300 0.129 0.000 1.053 562 V CB -1.393 30.492 31.823 0.103 0.000 0.679 562 V HN 0.675 nan 8.190 nan 0.000 0.458 563 Y N 0.493 120.769 120.300 -0.039 0.000 2.224 563 Y HA -0.204 4.289 4.550 -0.096 0.000 0.289 563 Y C 2.637 178.492 175.900 -0.075 0.000 1.146 563 Y CA 1.260 59.329 58.100 -0.052 0.000 1.182 563 Y CB -0.568 37.871 38.460 -0.035 0.000 0.983 563 Y HN 0.046 nan 8.280 nan 0.000 0.524 564 V N 0.497 120.474 119.914 0.105 0.000 2.277 564 V HA -0.366 3.696 4.120 -0.096 0.000 0.253 564 V C 2.126 178.181 176.094 -0.064 0.000 1.067 564 V CA 2.030 64.325 62.300 -0.009 0.000 1.047 564 V CB -0.769 31.023 31.823 -0.052 0.000 0.649 564 V HN 0.424 nan 8.190 nan 0.000 0.447 565 L N -0.911 120.265 121.223 -0.077 0.000 2.179 565 L HA 0.117 4.399 4.340 -0.096 0.000 0.208 565 L C 0.979 177.743 176.870 -0.175 0.000 1.096 565 L CA 0.846 55.602 54.840 -0.140 0.000 0.779 565 L CB 0.058 42.004 42.059 -0.189 0.000 0.922 565 L HN 0.485 nan 8.230 nan 0.000 0.443 566 N N -0.475 118.118 118.700 -0.178 0.000 2.647 566 N HA 0.044 4.726 4.740 -0.096 0.000 0.259 566 N C -1.852 173.503 175.510 -0.258 0.000 1.098 566 N CA -0.048 52.854 53.050 -0.247 0.000 0.984 566 N CB 1.686 40.010 38.487 -0.271 0.000 1.683 566 N HN 0.052 nan 8.380 nan 0.000 0.501 567 D N 1.671 121.902 120.400 -0.283 0.000 2.848 567 D HA 0.116 4.698 4.640 -0.096 0.000 0.303 567 D C -0.302 175.875 176.300 -0.206 0.000 1.665 567 D CA -0.099 53.754 54.000 -0.246 0.000 0.807 567 D CB -0.240 40.469 40.800 -0.152 0.000 1.288 567 D HN 0.584 nan 8.370 nan 0.000 0.441 568 K N -0.330 119.876 120.400 -0.322 0.000 2.353 568 K HA 0.156 4.419 4.320 -0.096 0.000 0.195 568 K C 0.372 176.953 176.600 -0.031 0.000 1.031 568 K CA 0.057 56.211 56.287 -0.220 0.000 1.079 568 K CB 0.371 32.690 32.500 -0.301 0.000 0.857 568 K HN -0.026 nan 8.250 nan 0.000 0.535 569 Y N 2.431 122.734 120.300 0.005 0.000 2.478 569 Y HA 0.116 4.608 4.550 -0.096 0.000 0.261 569 Y C 0.377 176.331 175.900 0.090 0.000 1.127 569 Y CA -0.977 57.171 58.100 0.080 0.000 1.288 569 Y CB -0.291 38.248 38.460 0.132 0.000 1.084 569 Y HN -0.038 nan 8.280 nan 0.000 0.530 570 K N 1.034 121.522 120.400 0.147 0.000 2.295 570 K HA 0.254 4.516 4.320 -0.096 0.000 0.270 570 K C -0.016 176.644 176.600 0.100 0.000 1.011 570 K CA -0.465 55.871 56.287 0.082 0.000 0.953 570 K CB 1.291 33.760 32.500 -0.052 0.000 0.956 570 K HN 0.115 nan 8.250 nan 0.000 0.477 571 I N 1.881 122.502 120.570 0.084 0.000 2.779 571 I HA 0.019 4.132 4.170 -0.096 0.000 0.285 571 I C -0.544 175.554 176.117 -0.032 0.000 1.134 571 I CA 0.505 61.827 61.300 0.036 0.000 1.398 571 I CB 0.733 38.730 38.000 -0.003 0.000 1.404 571 I HN 1.059 nan 8.210 nan 0.000 0.587 572 S N 4.150 119.798 115.700 -0.087 0.000 2.587 572 S HA 0.221 4.633 4.470 -0.096 0.000 0.269 572 S C -0.050 174.441 174.600 -0.182 0.000 1.154 572 S CA -0.790 57.352 58.200 -0.097 0.000 0.824 572 S CB 1.523 64.707 63.200 -0.027 0.000 1.118 572 S HN 0.633 nan 8.310 nan 0.000 0.462 573 Q N 1.228 120.934 119.800 -0.157 0.000 2.124 573 Q HA 0.110 4.392 4.340 -0.096 0.000 0.202 573 Q C 2.192 178.115 176.000 -0.128 0.000 0.977 573 Q CA 2.545 58.223 55.803 -0.208 0.000 0.850 573 Q CB -0.907 27.788 28.738 -0.070 0.000 0.901 573 Q HN 0.958 nan 8.270 nan 0.000 0.429 574 A N -0.277 122.545 122.820 0.003 0.000 2.019 574 A HA -0.177 4.085 4.320 -0.096 0.000 0.219 574 A C 1.996 179.617 177.584 0.062 0.000 1.164 574 A CA 1.748 53.837 52.037 0.087 0.000 0.644 574 A CB -0.370 18.676 19.000 0.076 0.000 0.805 574 A HN 0.274 nan 8.150 nan 0.000 0.449 575 K N -0.463 119.936 120.400 -0.002 0.000 2.167 575 K HA 0.179 4.441 4.320 -0.096 0.000 0.203 575 K C 1.593 178.195 176.600 0.004 0.000 1.052 575 K CA 0.689 57.008 56.287 0.052 0.000 0.956 575 K CB -0.260 32.292 32.500 0.087 0.000 0.735 575 K HN 0.497 nan 8.250 nan 0.000 0.451 576 I N -0.840 119.542 120.570 -0.314 0.000 2.179 576 I HA -0.262 3.850 4.170 -0.096 0.000 0.242 576 I C 1.568 177.478 176.117 -0.344 0.000 1.088 576 I CA 1.402 62.284 61.300 -0.698 0.000 1.357 576 I CB -0.156 37.062 38.000 -1.303 0.000 1.051 576 I HN 0.308 nan 8.210 nan 0.000 0.409 577 W N 0.751 121.980 121.300 -0.118 0.000 2.402 577 W HA -0.194 4.409 4.660 -0.095 0.000 0.286 577 W C 2.257 178.764 176.519 -0.020 0.000 1.221 577 W CA 0.617 57.916 57.345 -0.078 0.000 1.257 577 W CB -0.322 29.093 29.460 -0.074 0.000 1.120 577 W HN 0.177 nan 8.180 nan 0.000 0.551 578 D N 0.139 120.668 120.400 0.215 0.000 2.084 578 D HA -0.218 4.364 4.640 -0.096 0.000 0.194 578 D C 2.283 178.679 176.300 0.160 0.000 0.990 578 D CA 2.640 56.742 54.000 0.169 0.000 0.826 578 D CB -0.387 40.498 40.800 0.143 0.000 0.971 578 D HN 0.052 nan 8.370 nan 0.000 0.453 579 T N -1.116 113.555 114.554 0.195 0.000 2.857 579 T HA -0.129 4.164 4.350 -0.096 0.000 0.266 579 T C 2.210 176.990 174.700 0.135 0.000 1.048 579 T CA 0.675 62.903 62.100 0.214 0.000 1.139 579 T CB -0.478 68.613 68.868 0.371 0.000 0.874 579 T HN 0.175 nan 8.240 nan 0.000 0.455 580 I N 1.416 122.000 120.570 0.023 0.000 2.226 580 I HA -0.130 3.982 4.170 -0.096 0.000 0.245 580 I C 2.370 178.482 176.117 -0.009 0.000 1.100 580 I CA 1.754 62.913 61.300 -0.235 0.000 1.374 580 I CB -0.622 37.101 38.000 -0.461 0.000 1.057 580 I HN 0.309 nan 8.210 nan 0.000 0.413 581 E N 0.885 121.137 120.200 0.087 0.000 2.051 581 E HA -0.238 4.054 4.350 -0.096 0.000 0.192 581 E C 2.033 178.682 176.600 0.081 0.000 0.991 581 E CA 1.018 57.480 56.400 0.104 0.000 0.799 581 E CB -0.290 29.488 29.700 0.130 0.000 0.748 581 E HN 0.503 nan 8.360 nan 0.000 0.449 582 K N 0.812 121.264 120.400 0.087 0.000 2.520 582 K HA -0.080 4.182 4.320 -0.096 0.000 0.197 582 K C 1.569 178.221 176.600 0.086 0.000 1.043 582 K CA 1.121 57.455 56.287 0.079 0.000 0.944 582 K CB -0.026 32.529 32.500 0.091 0.000 0.770 582 K HN 0.040 nan 8.250 nan 0.000 0.480 583 S N -0.582 115.171 115.700 0.089 0.000 2.749 583 S HA 0.034 4.446 4.470 -0.096 0.000 0.246 583 S C -0.115 174.425 174.600 -0.100 0.000 1.023 583 S CA -0.721 57.524 58.200 0.074 0.000 1.012 583 S CB 0.249 63.565 63.200 0.193 0.000 0.942 583 S HN 0.055 nan 8.310 nan 0.000 0.531 584 D N 1.409 121.775 120.400 -0.056 0.000 2.493 584 D HA 0.041 4.623 4.640 -0.096 0.000 0.240 584 D C 0.215 176.492 176.300 -0.038 0.000 1.142 584 D CA -0.129 53.814 54.000 -0.095 0.000 0.872 584 D CB 0.203 41.029 40.800 0.042 0.000 1.173 584 D HN 0.186 nan 8.370 nan 0.000 0.467 585 F N 1.801 121.828 119.950 0.128 0.000 2.456 585 F HA 0.159 4.628 4.527 -0.097 0.000 0.298 585 F C 1.934 177.789 175.800 0.092 0.000 1.104 585 F CA 0.141 58.200 58.000 0.099 0.000 1.435 585 F CB -0.724 38.331 39.000 0.092 0.000 1.078 585 F HN 0.290 nan 8.300 nan 0.000 0.546 586 G N -1.168 107.780 108.800 0.246 0.000 2.432 586 G HA2 0.303 4.206 3.960 -0.096 0.000 0.257 586 G HA3 0.303 4.206 3.960 -0.096 0.000 0.257 586 G C 0.077 175.039 174.900 0.104 0.000 1.238 586 G CA -0.295 44.908 45.100 0.171 0.000 0.838 586 G HN 0.351 nan 8.290 nan 0.000 0.547 587 c N 0.702 119.351 118.600 0.081 0.000 3.491 587 c HA 0.416 4.928 4.570 -0.096 0.000 0.298 587 c C 1.019 175.112 174.090 0.005 0.000 1.424 587 c CA -0.142 56.214 56.329 0.045 0.000 1.772 587 c CB -0.907 41.647 42.510 0.073 0.000 2.447 587 c HN 0.685 nan 8.230 nan 0.000 0.670 588 T N -0.133 114.424 114.554 0.006 0.000 2.883 588 T HA 0.508 4.800 4.350 -0.096 0.000 0.296 588 T C 0.663 175.344 174.700 -0.031 0.000 1.117 588 T CA 0.062 62.172 62.100 0.017 0.000 1.006 588 T CB 1.676 70.609 68.868 0.108 0.000 1.191 588 T HN 0.046 nan 8.240 nan 0.000 0.508 589 A N 0.520 123.331 122.820 -0.016 0.000 2.259 589 A HA 0.631 4.893 4.320 -0.096 0.000 0.208 589 A C 1.147 178.801 177.584 0.118 0.000 1.201 589 A CA 0.779 52.813 52.037 -0.004 0.000 0.824 589 A CB -0.976 18.016 19.000 -0.014 0.000 0.838 589 A HN 1.583 nan 8.150 nan 0.000 0.485 590 G N -2.271 106.614 108.800 0.142 0.000 2.353 590 G HA2 0.400 4.302 3.960 -0.096 0.000 0.615 590 G HA3 0.400 4.302 3.960 -0.096 0.000 0.615 590 G C 0.206 175.231 174.900 0.208 0.000 1.280 590 G CA -0.073 45.120 45.100 0.156 0.000 1.000 590 G HN 1.726 nan 8.290 nan 0.000 0.516 591 S N -2.318 113.478 115.700 0.159 0.000 3.118 591 S HA 0.369 4.781 4.470 -0.096 0.000 0.631 591 S C 1.174 175.832 174.600 0.097 0.000 2.944 591 S CA 2.328 60.628 58.200 0.167 0.000 3.398 591 S CB -1.050 62.318 63.200 0.280 0.000 0.312 591 S HN 3.108 nan 8.310 nan 0.000 1.625 592 G N -1.577 107.182 108.800 -0.068 0.000 2.349 592 G HA2 0.440 4.342 3.960 -0.096 0.000 0.294 592 G HA3 0.440 4.342 3.960 -0.096 0.000 0.294 592 G C -0.208 173.966 174.900 -1.210 0.000 1.380 592 G CA 0.520 45.188 45.100 -0.719 0.000 0.811 592 G HN 0.569 nan 8.290 nan 0.000 0.519 593 Q N -0.361 118.714 119.800 -1.209 0.000 2.061 593 Q HA -0.101 4.181 4.340 -0.096 0.000 0.204 593 Q C 0.920 176.600 176.000 -0.534 0.000 0.984 593 Q CA 2.340 57.781 55.803 -0.604 0.000 0.846 593 Q CB -0.160 28.413 28.738 -0.275 0.000 0.902 593 Q HN 0.742 nan 8.270 nan 0.000 0.421 594 N N -2.072 116.310 118.700 -0.531 0.000 3.378 594 N HA -0.029 4.654 4.740 -0.096 0.000 0.294 594 N C 0.179 175.516 175.510 -0.289 0.000 1.544 594 N CA 0.027 52.628 53.050 -0.748 0.000 0.872 594 N CB -0.395 37.809 38.487 -0.472 0.000 1.670 594 N HN -0.162 nan 8.380 nan 0.000 0.551 595 N N 0.063 118.681 118.700 -0.137 0.000 2.036 595 N HA -0.227 4.455 4.740 -0.096 0.000 0.199 595 N C 1.193 176.845 175.510 0.237 0.000 1.036 595 N CA 1.731 54.878 53.050 0.160 0.000 0.870 595 N CB -0.843 37.710 38.487 0.109 0.000 1.055 595 N HN 0.420 nan 8.380 nan 0.000 0.436 596 L N 0.418 121.686 121.223 0.075 0.000 2.021 596 L HA -0.056 4.226 4.340 -0.096 0.000 0.215 596 L C 2.582 179.518 176.870 0.111 0.000 1.074 596 L CA 2.137 57.018 54.840 0.069 0.000 0.760 596 L CB -1.444 40.597 42.059 -0.030 0.000 0.889 596 L HN 0.546 nan 8.230 nan 0.000 0.433 597 G N -1.924 106.884 108.800 0.015 0.000 2.421 597 G HA2 -0.123 3.779 3.960 -0.096 0.000 0.217 597 G HA3 -0.123 3.779 3.960 -0.096 0.000 0.217 597 G C 1.663 176.571 174.900 0.013 0.000 1.143 597 G CA 0.786 45.873 45.100 -0.021 0.000 0.784 597 G HN 0.277 nan 8.290 nan 0.000 0.541 598 V N 0.561 120.497 119.914 0.036 0.000 2.255 598 V HA -0.193 3.870 4.120 -0.096 0.000 0.247 598 V C 2.509 178.570 176.094 -0.054 0.000 1.051 598 V CA 1.857 64.147 62.300 -0.017 0.000 1.018 598 V CB -0.674 31.113 31.823 -0.060 0.000 0.641 598 V HN 0.368 nan 8.190 nan 0.000 0.445 599 F N 0.334 120.303 119.950 0.033 0.000 2.146 599 F HA -0.136 4.334 4.527 -0.097 0.000 0.298 599 F C 2.461 178.285 175.800 0.041 0.000 1.096 599 F CA 1.816 59.837 58.000 0.036 0.000 1.275 599 F CB -0.506 38.495 39.000 0.003 0.000 1.008 599 F HN 0.142 nan 8.300 nan 0.000 0.480 600 E N 0.242 120.570 120.200 0.214 0.000 2.031 600 E HA -0.215 4.078 4.350 -0.096 0.000 0.193 600 E C 1.711 178.382 176.600 0.119 0.000 0.994 600 E CA 1.609 58.088 56.400 0.133 0.000 0.800 600 E CB -0.204 29.548 29.700 0.087 0.000 0.752 600 E HN 0.293 nan 8.360 nan 0.000 0.447 601 D N -0.147 120.315 120.400 0.102 0.000 2.264 601 D HA -0.084 4.499 4.640 -0.096 0.000 0.208 601 D C 1.234 177.603 176.300 0.114 0.000 0.966 601 D CA 0.988 55.051 54.000 0.105 0.000 0.864 601 D CB -0.047 40.817 40.800 0.107 0.000 0.933 601 D HN 0.166 nan 8.370 nan 0.000 0.499 602 A N -0.333 122.554 122.820 0.113 0.000 2.307 602 A HA 0.473 4.735 4.320 -0.096 0.000 0.218 602 A C 1.487 179.174 177.584 0.172 0.000 1.228 602 A CA 0.607 52.720 52.037 0.128 0.000 0.857 602 A CB -0.254 18.795 19.000 0.082 0.000 0.897 602 A HN 0.173 nan 8.150 nan 0.000 0.495 603 G N -0.547 108.361 108.800 0.180 0.000 2.256 603 G HA2 -0.184 3.718 3.960 -0.096 0.000 0.272 603 G HA3 -0.184 3.718 3.960 -0.096 0.000 0.272 603 G C -0.234 174.783 174.900 0.194 0.000 1.076 603 G CA 0.460 45.688 45.100 0.214 0.000 0.882 603 G HN 0.500 nan 8.290 nan 0.000 0.497 604 L N -0.708 120.629 121.223 0.190 0.000 2.323 604 L HA 0.896 5.178 4.340 -0.096 0.000 0.265 604 L C 0.527 177.481 176.870 0.141 0.000 1.012 604 L CA -0.890 54.070 54.840 0.201 0.000 0.820 604 L CB 2.186 44.440 42.059 0.325 0.000 1.334 604 L HN 0.351 nan 8.230 nan 0.000 0.427 605 A N 2.033 124.899 122.820 0.077 0.000 2.324 605 A HA 0.829 5.092 4.320 -0.096 0.000 0.330 605 A C -1.255 176.286 177.584 -0.072 0.000 1.165 605 A CA -0.389 51.645 52.037 -0.005 0.000 0.813 605 A CB 1.463 20.448 19.000 -0.026 0.000 1.197 605 A HN 0.514 nan 8.150 nan 0.000 0.484 606 L N 1.417 122.535 121.223 -0.176 0.000 2.431 606 L HA 0.807 5.089 4.340 -0.096 0.000 0.266 606 L C -0.724 176.017 176.870 -0.215 0.000 0.978 606 L CA 0.309 54.967 54.840 -0.304 0.000 0.822 606 L CB 2.429 44.067 42.059 -0.701 0.000 1.310 606 L HN 0.633 nan 8.230 nan 0.000 0.409 607 T N 2.635 117.090 114.554 -0.165 0.000 2.921 607 T HA 0.708 5.001 4.350 -0.096 0.000 0.297 607 T C -0.447 174.202 174.700 -0.086 0.000 1.013 607 T CA -0.278 61.753 62.100 -0.115 0.000 0.990 607 T CB 1.649 70.474 68.868 -0.071 0.000 1.023 607 T HN 0.849 nan 8.240 nan 0.000 0.447 608 T N -1.424 113.086 114.554 -0.073 0.000 2.905 608 T HA 0.512 4.804 4.350 -0.096 0.000 0.283 608 T C 1.541 176.251 174.700 0.017 0.000 1.031 608 T CA -0.241 61.846 62.100 -0.021 0.000 1.002 608 T CB 1.251 70.090 68.868 -0.047 0.000 1.200 608 T HN 0.427 nan 8.240 nan 0.000 0.560 609 S N -0.515 115.223 115.700 0.063 0.000 2.489 609 S HA -0.023 4.390 4.470 -0.096 0.000 0.228 609 S C 1.508 176.127 174.600 0.030 0.000 0.995 609 S CA 0.719 58.969 58.200 0.083 0.000 0.934 609 S CB -1.110 62.195 63.200 0.175 0.000 0.771 609 S HN 1.014 nan 8.310 nan 0.000 0.522 610 T N -0.285 114.269 114.554 0.000 0.000 3.273 610 T HA 0.314 4.607 4.350 -0.096 0.000 0.254 610 T C 0.169 174.852 174.700 -0.028 0.000 1.002 610 T CA -0.653 61.437 62.100 -0.016 0.000 0.913 610 T CB -0.701 68.151 68.868 -0.027 0.000 1.056 610 T HN 0.221 nan 8.240 nan 0.000 0.576 611 N N 1.456 120.140 118.700 -0.027 0.000 2.708 611 N HA -0.110 4.572 4.740 -0.096 0.000 0.251 611 N C -0.662 174.812 175.510 -0.061 0.000 1.017 611 N CA 0.229 53.255 53.050 -0.041 0.000 0.742 611 N CB -1.136 37.332 38.487 -0.032 0.000 0.943 611 N HN 0.428 nan 8.380 nan 0.000 0.539 612 L N 0.857 122.032 121.223 -0.080 0.000 2.462 612 L HA 0.145 4.427 4.340 -0.096 0.000 0.283 612 L C 0.233 177.022 176.870 -0.136 0.000 1.166 612 L CA 0.530 55.304 54.840 -0.111 0.000 0.964 612 L CB -0.323 41.653 42.059 -0.138 0.000 1.294 612 L HN 0.070 nan 8.230 nan 0.000 0.449 613 N N 1.455 120.087 118.700 -0.112 0.000 2.342 613 N HA 0.312 4.994 4.740 -0.096 0.000 0.293 613 N C 0.118 175.564 175.510 -0.105 0.000 1.026 613 N CA -0.434 52.548 53.050 -0.114 0.000 0.857 613 N CB 1.810 40.244 38.487 -0.088 0.000 1.256 613 N HN 0.372 nan 8.380 nan 0.000 0.484 614 T N -1.184 113.301 114.554 -0.115 0.000 2.930 614 T HA 0.175 4.467 4.350 -0.096 0.000 0.306 614 T C 0.733 175.401 174.700 -0.054 0.000 1.045 614 T CA -0.543 61.515 62.100 -0.071 0.000 1.134 614 T CB 0.433 69.270 68.868 -0.051 0.000 0.961 614 T HN 0.484 nan 8.240 nan 0.000 0.545 615 K N 2.083 122.463 120.400 -0.034 0.000 2.188 615 K HA 0.130 4.392 4.320 -0.096 0.000 0.246 615 K C 0.072 176.656 176.600 -0.027 0.000 1.026 615 K CA -0.821 55.448 56.287 -0.031 0.000 0.871 615 K CB 0.357 32.846 32.500 -0.017 0.000 1.042 615 K HN 0.399 nan 8.250 nan 0.000 0.509 616 Q N 1.247 121.029 119.800 -0.030 0.000 2.314 616 Q HA 0.066 4.348 4.340 -0.096 0.000 0.258 616 Q C -0.468 175.547 176.000 0.024 0.000 0.954 616 Q CA -0.177 55.614 55.803 -0.020 0.000 0.890 616 Q CB 1.305 30.008 28.738 -0.058 0.000 1.210 616 Q HN 0.454 nan 8.270 nan 0.000 0.410 617 R N 1.376 121.904 120.500 0.047 0.000 2.351 617 R HA 0.008 4.290 4.340 -0.096 0.000 0.318 617 R C 1.140 177.489 176.300 0.082 0.000 1.055 617 R CA 0.466 56.597 56.100 0.051 0.000 0.968 617 R CB 0.148 30.459 30.300 0.019 0.000 0.974 617 R HN 0.698 nan 8.270 nan 0.000 0.439 618 S N 3.237 118.977 115.700 0.068 0.000 2.380 618 S HA 0.010 4.422 4.470 -0.096 0.000 0.217 618 S C 0.460 175.102 174.600 0.069 0.000 1.036 618 S CA 1.096 59.341 58.200 0.076 0.000 1.050 618 S CB -0.129 63.106 63.200 0.060 0.000 1.016 618 S HN 0.761 nan 8.310 nan 0.000 0.419 619 A N -0.726 122.126 122.820 0.053 0.000 2.356 619 A HA 0.844 5.106 4.320 -0.096 0.000 0.323 619 A C 0.973 178.579 177.584 0.037 0.000 1.119 619 A CA 0.022 52.084 52.037 0.042 0.000 0.790 619 A CB 1.154 20.185 19.000 0.051 0.000 1.273 619 A HN 0.710 nan 8.150 nan 0.000 0.452 620 A N 1.212 124.046 122.820 0.024 0.000 1.930 620 A HA 0.033 4.295 4.320 -0.096 0.000 0.217 620 A C 1.082 178.757 177.584 0.151 0.000 1.175 620 A CA 1.175 53.238 52.037 0.044 0.000 0.627 620 A CB -0.394 18.621 19.000 0.026 0.000 0.815 620 A HN 0.724 nan 8.150 nan 0.000 0.443 621 K N 0.109 120.584 120.400 0.124 0.000 2.339 621 K HA 0.286 4.548 4.320 -0.096 0.000 0.286 621 K C -0.568 176.098 176.600 0.111 0.000 1.050 621 K CA -0.668 55.695 56.287 0.128 0.000 0.956 621 K CB 0.590 33.148 32.500 0.096 0.000 0.990 621 K HN 0.307 nan 8.250 nan 0.000 0.475 622 c N 5.191 123.861 118.600 0.118 0.000 2.437 622 c HA 0.008 4.521 4.570 -0.096 0.000 0.399 622 c C -1.027 173.108 174.090 0.074 0.000 1.478 622 c CA -1.228 55.160 56.329 0.098 0.000 1.538 622 c CB -1.459 41.103 42.510 0.086 0.000 2.506 622 c HN 0.731 nan 8.230 nan 0.000 0.603 623 P HA 0.000 nan 4.420 nan 0.000 0.216 623 P CA 0.000 63.136 63.100 0.060 0.000 0.800 623 P CB 0.000 31.738 31.700 0.063 0.000 0.726