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 1zy8_1_J DATA FIRST_RESID 1 DATA SEQUENCE ADQPIDADVT VIGSGPGGYV AAIKAAQLGF KTVCIEKNET LGGTCLNVGC DATA SEQUENCE IPSKALLNNS HYYHMAHGKD FASRGIEMSE VRLNLDKMME QKSTAVKALT DATA SEQUENCE GGIAHLFKQN KVVHVNGYGK ITGKNQVTAT KADGGTQVID TKNILIATGS DATA SEQUENCE EVTPFPGITI DEDTIVSSTG ALSLKKVPEK MVVIGAGVIG VELGSVWQRL DATA SEQUENCE GADVTAVEFL GHVGGVGIDM EISKNFQRIL QKQGFKFKLN TKVTGATKKS DATA SEQUENCE DGKIDVSIEA ASGGKAEVIT CDVLLVCIGR RPFTKNLGLE ELGIELDPRG DATA SEQUENCE RIPVNTRFQT KIPNIYAIGD VVAGPMLAHK AEDEGIICVE GMAGGAVHID DATA SEQUENCE YNCVPSVIYT HPEVAWVGKS EEQLKEEGIE YKVGKFPFAA NSRAKTNADT DATA SEQUENCE DGMVKILGQK STDRVLGAHI LGPGAGEMVN EAALALEYGA SCEDIARVCH DATA SEQUENCE AHPTLSEAFR EANLAASFGK SINF 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 0.000 177.583 177.584 -0.002 0.000 1.274 1 A CA 0.000 52.037 52.037 -0.000 0.000 0.836 1 A CB 0.000 19.000 19.000 0.000 0.000 0.831 2 D N 1.839 122.238 120.400 -0.002 0.000 2.233 2 D HA 0.382 5.022 4.640 -0.000 0.000 0.240 2 D C -0.347 175.951 176.300 -0.004 0.000 1.074 2 D CA 0.014 54.011 54.000 -0.004 0.000 0.838 2 D CB 1.180 41.977 40.800 -0.006 0.000 1.124 2 D HN 0.396 nan 8.370 nan 0.000 0.475 3 Q N 3.051 122.848 119.800 -0.004 0.000 2.436 3 Q HA -0.030 4.310 4.340 -0.000 0.000 0.326 3 Q C -1.904 174.093 176.000 -0.005 0.000 1.079 3 Q CA -0.579 55.221 55.803 -0.004 0.000 1.049 3 Q CB 0.345 29.081 28.738 -0.004 0.000 1.047 3 Q HN 0.185 nan 8.270 nan 0.000 0.386 4 P HA -0.071 nan 4.420 nan 0.000 0.262 4 P C -0.380 176.916 177.300 -0.006 0.000 1.182 4 P CA 0.629 63.726 63.100 -0.004 0.000 0.761 4 P CB 0.147 31.844 31.700 -0.004 0.000 0.795 5 I N -0.770 119.796 120.570 -0.006 0.000 2.488 5 I HA 0.433 4.603 4.170 -0.000 0.000 0.299 5 I C -0.285 175.827 176.117 -0.010 0.000 0.984 5 I CA -0.600 60.695 61.300 -0.008 0.000 1.250 5 I CB 1.586 39.580 38.000 -0.010 0.000 1.389 5 I HN 0.077 nan 8.210 nan 0.000 0.488 6 D N 5.786 126.179 120.400 -0.011 0.000 2.493 6 D HA 0.479 5.119 4.640 -0.000 0.000 0.235 6 D C -0.518 175.771 176.300 -0.018 0.000 1.117 6 D CA 0.052 54.043 54.000 -0.015 0.000 0.930 6 D CB 1.666 42.458 40.800 -0.015 0.000 1.010 6 D HN 0.736 nan 8.370 nan 0.000 0.514 7 A N 2.181 124.990 122.820 -0.019 0.000 2.318 7 A HA 0.268 4.588 4.320 -0.000 0.000 0.317 7 A C 0.820 178.384 177.584 -0.033 0.000 1.159 7 A CA -0.751 51.273 52.037 -0.022 0.000 0.799 7 A CB 0.935 19.924 19.000 -0.019 0.000 1.194 7 A HN 0.353 nan 8.150 nan 0.000 0.479 8 D N 1.504 121.872 120.400 -0.054 0.000 2.349 8 D HA 0.046 4.686 4.640 -0.000 0.000 0.224 8 D C -0.017 176.219 176.300 -0.108 0.000 1.029 8 D CA 0.507 54.444 54.000 -0.104 0.000 0.879 8 D CB -0.068 40.625 40.800 -0.179 0.000 0.906 8 D HN 0.142 nan 8.370 nan 0.000 0.528 9 V N 0.267 120.156 119.914 -0.042 0.000 2.668 9 V HA 0.370 4.490 4.120 -0.000 0.000 0.304 9 V C -0.395 175.701 176.094 0.002 0.000 1.071 9 V CA -0.791 61.505 62.300 -0.007 0.000 0.894 9 V CB 1.977 33.827 31.823 0.045 0.000 1.008 9 V HN -0.070 nan 8.190 nan 0.000 0.425 10 T N 3.585 118.147 114.554 0.014 0.000 2.807 10 T HA 0.662 5.012 4.350 -0.000 0.000 0.279 10 T C -0.518 174.203 174.700 0.035 0.000 0.993 10 T CA -0.535 61.577 62.100 0.019 0.000 0.970 10 T CB 1.982 70.865 68.868 0.025 0.000 0.950 10 T HN 0.393 nan 8.240 nan 0.000 0.441 11 V N 4.966 124.901 119.914 0.035 0.000 2.409 11 V HA 0.427 4.547 4.120 -0.000 0.000 0.291 11 V C -0.253 175.890 176.094 0.081 0.000 1.020 11 V CA -0.949 61.383 62.300 0.053 0.000 0.848 11 V CB 1.368 33.217 31.823 0.043 0.000 0.990 11 V HN 0.744 nan 8.190 nan 0.000 0.430 12 I N 4.071 124.697 120.570 0.094 0.000 2.304 12 I HA 0.716 4.886 4.170 -0.000 0.000 0.291 12 I C 0.708 176.900 176.117 0.125 0.000 1.018 12 I CA 0.046 61.417 61.300 0.118 0.000 1.260 12 I CB 0.363 38.440 38.000 0.127 0.000 1.390 12 I HN 0.830 nan 8.210 nan 0.000 0.475 13 G N 4.793 113.672 108.800 0.131 0.000 2.788 13 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.686 13 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.686 13 G C -0.304 174.676 174.900 0.133 0.000 1.147 13 G CA -0.313 44.859 45.100 0.119 0.000 0.755 13 G HN 0.981 nan 8.290 nan 0.000 0.634 14 S N 0.807 116.586 115.700 0.131 0.000 2.474 14 S HA 0.700 5.170 4.470 -0.000 0.000 0.224 14 S C 0.830 175.558 174.600 0.215 0.000 1.209 14 S CA 0.518 58.835 58.200 0.195 0.000 1.212 14 S CB 0.897 64.201 63.200 0.172 0.000 1.137 14 S HN 1.928 nan 8.310 nan 0.000 0.446 15 G N 1.513 110.425 108.800 0.186 0.000 2.857 15 G HA2 0.740 4.700 3.960 -0.000 0.000 0.217 15 G HA3 0.740 4.700 3.960 -0.000 0.000 0.217 15 G C -3.255 171.753 174.900 0.180 0.000 1.357 15 G CA -2.312 42.906 45.100 0.198 0.000 1.033 15 G HN 0.279 nan 8.290 nan 0.000 0.571 16 P HA 0.212 nan 4.420 nan 0.000 0.267 16 P C 0.927 178.114 177.300 -0.188 0.000 1.205 16 P CA 1.390 64.395 63.100 -0.157 0.000 0.765 16 P CB 1.024 32.696 31.700 -0.047 0.000 0.828 17 G N 2.925 111.544 108.800 -0.302 0.000 2.609 17 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.235 17 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.235 17 G C 1.340 176.155 174.900 -0.142 0.000 1.177 17 G CA 0.589 45.563 45.100 -0.210 0.000 0.707 17 G HN 0.711 nan 8.290 nan 0.000 0.513 18 G N 0.743 109.502 108.800 -0.068 0.000 2.604 18 G HA2 0.018 3.978 3.960 -0.000 0.000 0.216 18 G HA3 0.018 3.978 3.960 -0.000 0.000 0.216 18 G C 1.566 176.517 174.900 0.084 0.000 1.265 18 G CA 2.281 47.402 45.100 0.035 0.000 0.804 18 G HN 1.348 nan 8.290 nan 0.000 0.579 19 Y N 0.525 120.894 120.300 0.114 0.000 2.314 19 Y HA 0.143 4.693 4.550 -0.000 0.000 0.293 19 Y C 2.433 178.429 175.900 0.159 0.000 1.129 19 Y CA 0.916 59.157 58.100 0.236 0.000 1.201 19 Y CB -0.722 37.777 38.460 0.065 0.000 0.999 19 Y HN 0.017 nan 8.280 nan 0.000 0.541 20 V N 1.164 120.585 119.914 -0.822 0.000 2.594 20 V HA -0.252 3.868 4.120 -0.000 0.000 0.253 20 V C 2.645 178.622 176.094 -0.194 0.000 1.069 20 V CA 1.719 63.698 62.300 -0.534 0.000 1.082 20 V CB -1.358 30.138 31.823 -0.545 0.000 0.680 20 V HN 0.652 nan 8.190 nan 0.000 0.469 21 A N -0.019 122.711 122.820 -0.149 0.000 1.887 21 A HA 0.258 4.578 4.320 -0.000 0.000 0.212 21 A C 2.432 179.996 177.584 -0.034 0.000 1.198 21 A CA 1.183 53.161 52.037 -0.098 0.000 0.628 21 A CB -0.787 18.146 19.000 -0.112 0.000 0.847 21 A HN 0.506 nan 8.150 nan 0.000 0.449 22 A N 0.175 123.007 122.820 0.019 0.000 2.009 22 A HA -0.204 4.116 4.320 -0.000 0.000 0.222 22 A C 2.077 179.670 177.584 0.013 0.000 1.175 22 A CA 1.896 53.939 52.037 0.010 0.000 0.651 22 A CB -0.639 18.374 19.000 0.021 0.000 0.815 22 A HN 0.527 nan 8.150 nan 0.000 0.459 23 I N -1.584 119.050 120.570 0.107 0.000 2.296 23 I HA -0.131 4.039 4.170 -0.000 0.000 0.242 23 I C 2.417 178.544 176.117 0.017 0.000 1.087 23 I CA 1.506 62.871 61.300 0.108 0.000 1.393 23 I CB -0.200 37.928 38.000 0.214 0.000 1.093 23 I HN 0.227 nan 8.210 nan 0.000 0.421 24 K N 1.889 122.278 120.400 -0.019 0.000 2.211 24 K HA -0.140 4.180 4.320 -0.000 0.000 0.204 24 K C 1.848 178.384 176.600 -0.107 0.000 1.047 24 K CA 1.618 57.867 56.287 -0.064 0.000 0.935 24 K CB -0.326 32.122 32.500 -0.087 0.000 0.728 24 K HN 0.326 nan 8.250 nan 0.000 0.452 25 A N 0.346 123.113 122.820 -0.089 0.000 1.873 25 A HA 0.021 4.341 4.320 -0.000 0.000 0.215 25 A C 2.387 179.920 177.584 -0.086 0.000 1.186 25 A CA 1.779 53.752 52.037 -0.107 0.000 0.616 25 A CB -1.061 17.944 19.000 0.008 0.000 0.823 25 A HN 0.389 nan 8.150 nan 0.000 0.442 26 A N -0.618 122.182 122.820 -0.033 0.000 1.933 26 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 26 A C 2.034 179.597 177.584 -0.036 0.000 1.175 26 A CA 1.655 53.683 52.037 -0.015 0.000 0.628 26 A CB -0.606 18.387 19.000 -0.012 0.000 0.814 26 A HN 0.649 nan 8.150 nan 0.000 0.444 27 Q N -1.428 118.342 119.800 -0.051 0.000 2.500 27 Q HA -0.007 4.333 4.340 -0.000 0.000 0.213 27 Q C 1.083 177.023 176.000 -0.099 0.000 0.974 27 Q CA 0.518 56.288 55.803 -0.056 0.000 0.918 27 Q CB -0.052 28.659 28.738 -0.046 0.000 0.980 27 Q HN 0.478 nan 8.270 nan 0.000 0.505 28 L N -1.996 119.123 121.223 -0.175 0.000 2.590 28 L HA 0.231 4.571 4.340 -0.000 0.000 0.227 28 L C 1.266 177.980 176.870 -0.260 0.000 1.099 28 L CA 1.276 55.942 54.840 -0.290 0.000 0.872 28 L CB 0.708 42.455 42.059 -0.521 0.000 1.088 28 L HN 0.258 nan 8.230 nan 0.000 0.479 29 G N -2.000 106.732 108.800 -0.115 0.000 2.284 29 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.201 29 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.201 29 G C 0.213 175.244 174.900 0.219 0.000 0.998 29 G CA -0.506 44.617 45.100 0.039 0.000 0.651 29 G HN 0.000 nan 8.290 nan 0.000 0.489 30 F N 2.346 122.281 119.950 -0.024 0.000 2.495 30 F HA 0.445 4.972 4.527 -0.000 0.000 0.365 30 F C 1.016 176.797 175.800 -0.033 0.000 1.090 30 F CA -1.057 56.926 58.000 -0.028 0.000 1.235 30 F CB 0.955 39.932 39.000 -0.038 0.000 1.119 30 F HN 0.163 nan 8.300 nan 0.000 0.562 31 K N 2.375 122.858 120.400 0.139 0.000 2.379 31 K HA 0.241 4.561 4.320 -0.000 0.000 0.284 31 K C -0.604 176.020 176.600 0.041 0.000 1.044 31 K CA 0.044 56.365 56.287 0.057 0.000 0.974 31 K CB 0.365 32.877 32.500 0.020 0.000 0.962 31 K HN 0.704 nan 8.250 nan 0.000 0.474 32 T N 2.720 117.277 114.554 0.005 0.000 2.885 32 T HA 0.470 4.820 4.350 -0.000 0.000 0.285 32 T C -1.022 173.633 174.700 -0.076 0.000 1.019 32 T CA -0.773 61.312 62.100 -0.026 0.000 1.010 32 T CB 1.825 70.667 68.868 -0.043 0.000 1.022 32 T HN 0.345 nan 8.240 nan 0.000 0.466 33 V N 0.944 120.817 119.914 -0.069 0.000 2.962 33 V HA 0.729 4.849 4.120 -0.000 0.000 0.313 33 V C -0.982 175.069 176.094 -0.071 0.000 1.099 33 V CA -0.682 61.574 62.300 -0.074 0.000 0.971 33 V CB 2.264 34.069 31.823 -0.030 0.000 1.028 33 V HN 1.120 nan 8.190 nan 0.000 0.430 34 C N 5.794 125.062 119.300 -0.054 0.000 2.599 34 C HA 0.562 5.022 4.460 -0.000 0.000 0.354 34 C C -0.756 174.312 174.990 0.130 0.000 1.092 34 C CA -0.667 58.359 59.018 0.013 0.000 1.280 34 C CB -0.290 27.407 27.740 -0.070 0.000 1.829 34 C HN 0.738 nan 8.230 nan 0.000 0.454 35 I N 4.669 125.317 120.570 0.130 0.000 2.371 35 I HA 0.438 4.608 4.170 -0.000 0.000 0.290 35 I C -0.027 176.200 176.117 0.183 0.000 1.028 35 I CA 0.344 61.739 61.300 0.159 0.000 1.345 35 I CB 1.265 39.344 38.000 0.132 0.000 1.407 35 I HN 0.627 nan 8.210 nan 0.000 0.501 36 E N 5.729 126.063 120.200 0.224 0.000 2.256 36 E HA 0.270 4.620 4.350 -0.000 0.000 0.268 36 E C 0.069 176.752 176.600 0.138 0.000 0.877 36 E CA -0.833 55.669 56.400 0.171 0.000 0.757 36 E CB 1.771 31.572 29.700 0.167 0.000 1.183 36 E HN 0.589 nan 8.360 nan 0.000 0.418 37 K N 2.468 122.895 120.400 0.045 0.000 2.186 37 K HA 0.181 4.501 4.320 -0.000 0.000 0.202 37 K C 0.221 176.810 176.600 -0.019 0.000 1.052 37 K CA 0.277 56.552 56.287 -0.021 0.000 0.965 37 K CB -0.001 32.361 32.500 -0.230 0.000 0.746 37 K HN 0.283 nan 8.250 nan 0.000 0.457 38 N N 1.746 120.435 118.700 -0.019 0.000 2.445 38 N HA -0.030 4.710 4.740 -0.000 0.000 0.264 38 N C 0.284 175.808 175.510 0.025 0.000 1.227 38 N CA -0.254 52.783 53.050 -0.021 0.000 0.963 38 N CB 0.775 39.233 38.487 -0.049 0.000 1.188 38 N HN 0.306 nan 8.380 nan 0.000 0.491 39 E N -0.581 119.628 120.200 0.015 0.000 2.526 39 E HA -0.076 4.274 4.350 -0.000 0.000 0.198 39 E C -0.222 176.398 176.600 0.032 0.000 1.091 39 E CA 0.399 56.821 56.400 0.036 0.000 0.880 39 E CB 0.171 29.882 29.700 0.018 0.000 0.873 39 E HN 0.333 nan 8.360 nan 0.000 0.527 40 T N -0.125 114.432 114.554 0.004 0.000 3.097 40 T HA 0.330 4.680 4.350 -0.000 0.000 0.332 40 T C -0.563 174.088 174.700 -0.081 0.000 1.269 40 T CA -0.828 61.250 62.100 -0.037 0.000 1.076 40 T CB 0.960 69.799 68.868 -0.047 0.000 1.209 40 T HN 0.150 nan 8.240 nan 0.000 0.474 41 L N 3.554 124.685 121.223 -0.154 0.000 2.479 41 L HA 0.507 4.847 4.340 -0.000 0.000 0.270 41 L C 1.845 178.598 176.870 -0.194 0.000 1.236 41 L CA 1.079 55.794 54.840 -0.209 0.000 0.823 41 L CB 0.176 42.011 42.059 -0.374 0.000 1.098 41 L HN 1.154 nan 8.230 nan 0.000 0.500 42 G N -0.382 108.315 108.800 -0.171 0.000 2.909 42 G HA2 0.142 4.102 3.960 -0.000 0.000 0.198 42 G HA3 0.142 4.102 3.960 -0.000 0.000 0.198 42 G C 0.457 175.346 174.900 -0.018 0.000 1.124 42 G CA -0.183 44.836 45.100 -0.134 0.000 0.796 42 G HN 1.482 nan 8.290 nan 0.000 0.489 43 G N -1.167 107.617 108.800 -0.026 0.000 2.660 43 G HA2 0.215 4.175 3.960 -0.000 0.000 0.215 43 G HA3 0.215 4.175 3.960 -0.000 0.000 0.215 43 G C 1.228 176.112 174.900 -0.028 0.000 1.345 43 G CA 1.685 46.778 45.100 -0.011 0.000 0.877 43 G HN 2.040 nan 8.290 nan 0.000 0.549 44 T N -1.963 112.574 114.554 -0.029 0.000 2.708 44 T HA -0.197 4.153 4.350 -0.000 0.000 0.266 44 T C 2.740 177.429 174.700 -0.019 0.000 1.037 44 T CA 3.262 65.342 62.100 -0.033 0.000 1.146 44 T CB -1.076 67.770 68.868 -0.036 0.000 0.865 44 T HN 2.083 nan 8.240 nan 0.000 0.435 45 C N 1.124 120.421 119.300 -0.004 0.000 2.369 45 C HA -0.125 4.335 4.460 -0.000 0.000 0.273 45 C C 2.553 177.531 174.990 -0.020 0.000 1.172 45 C CA 1.536 60.553 59.018 -0.002 0.000 1.791 45 C CB -1.748 26.003 27.740 0.019 0.000 2.086 45 C HN 0.766 nan 8.230 nan 0.000 0.459 46 L N 0.552 121.760 121.223 -0.025 0.000 2.408 46 L HA 0.322 4.662 4.340 -0.000 0.000 0.215 46 L C 2.007 178.844 176.870 -0.055 0.000 1.081 46 L CA 1.658 56.469 54.840 -0.048 0.000 0.840 46 L CB -1.044 40.977 42.059 -0.063 0.000 1.002 46 L HN 0.319 nan 8.230 nan 0.000 0.468 47 N N -0.080 118.590 118.700 -0.051 0.000 2.368 47 N HA 0.049 4.789 4.740 -0.000 0.000 0.176 47 N C 0.870 176.356 175.510 -0.039 0.000 1.021 47 N CA 1.576 54.596 53.050 -0.051 0.000 0.888 47 N CB 0.767 39.221 38.487 -0.055 0.000 0.995 47 N HN 0.399 nan 8.380 nan 0.000 0.437 48 V N -3.879 116.015 119.914 -0.034 0.000 3.187 48 V HA 0.632 4.752 4.120 -0.000 0.000 0.402 48 V C 0.309 176.394 176.094 -0.014 0.000 1.457 48 V CA -0.190 62.097 62.300 -0.023 0.000 1.409 48 V CB 0.563 32.371 31.823 -0.024 0.000 1.218 48 V HN 0.093 nan 8.190 nan 0.000 0.595 49 G N -0.573 108.216 108.800 -0.019 0.000 3.382 49 G HA2 0.217 4.177 3.960 -0.000 0.000 0.183 49 G HA3 0.217 4.177 3.960 -0.000 0.000 0.183 49 G C 1.020 175.906 174.900 -0.024 0.000 1.246 49 G CA 0.583 45.676 45.100 -0.010 0.000 0.828 49 G HN 0.384 nan 8.290 nan 0.000 0.728 50 C N 0.530 119.811 119.300 -0.030 0.000 2.328 50 C HA -0.147 4.313 4.460 -0.000 0.000 0.276 50 C C 2.771 177.695 174.990 -0.111 0.000 1.173 50 C CA 1.799 60.772 59.018 -0.075 0.000 1.774 50 C CB -1.279 26.413 27.740 -0.080 0.000 2.009 50 C HN 0.410 nan 8.230 nan 0.000 0.436 51 I N 2.162 122.676 120.570 -0.094 0.000 2.068 51 I HA -0.134 4.036 4.170 -0.000 0.000 0.238 51 I C 0.077 176.138 176.117 -0.094 0.000 1.046 51 I CA 2.177 63.416 61.300 -0.101 0.000 1.306 51 I CB -3.024 34.929 38.000 -0.079 0.000 1.023 51 I HN 0.282 nan 8.210 nan 0.000 0.399 52 P HA -0.151 nan 4.420 nan 0.000 0.213 52 P C 2.112 179.369 177.300 -0.072 0.000 1.170 52 P CA 2.682 65.746 63.100 -0.059 0.000 0.902 52 P CB -0.186 31.493 31.700 -0.036 0.000 0.789 53 S N -1.024 114.637 115.700 -0.064 0.000 2.383 53 S HA -0.192 4.278 4.470 -0.000 0.000 0.229 53 S C 1.960 176.495 174.600 -0.108 0.000 1.030 53 S CA 1.430 59.587 58.200 -0.071 0.000 1.002 53 S CB -1.008 62.175 63.200 -0.029 0.000 0.829 53 S HN -0.057 nan 8.310 nan 0.000 0.467 54 K N 2.153 122.462 120.400 -0.151 0.000 2.057 54 K HA 0.208 4.528 4.320 -0.000 0.000 0.207 54 K C 2.347 178.855 176.600 -0.154 0.000 1.049 54 K CA 1.332 57.492 56.287 -0.212 0.000 0.931 54 K CB -1.140 31.163 32.500 -0.330 0.000 0.714 54 K HN 0.484 nan 8.250 nan 0.000 0.440 55 A N 0.494 123.240 122.820 -0.124 0.000 1.883 55 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 55 A C 2.122 179.645 177.584 -0.101 0.000 1.186 55 A CA 1.584 53.564 52.037 -0.095 0.000 0.624 55 A CB -0.716 18.238 19.000 -0.077 0.000 0.822 55 A HN 0.249 nan 8.150 nan 0.000 0.444 56 L N -1.000 120.149 121.223 -0.124 0.000 2.156 56 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 56 L C 2.549 179.313 176.870 -0.177 0.000 1.095 56 L CA 0.584 55.321 54.840 -0.172 0.000 0.770 56 L CB -0.524 41.394 42.059 -0.235 0.000 0.914 56 L HN 0.361 nan 8.230 nan 0.000 0.439 57 L N -0.106 121.032 121.223 -0.141 0.000 2.017 57 L HA -0.247 4.093 4.340 -0.000 0.000 0.208 57 L C 2.504 179.319 176.870 -0.092 0.000 1.073 57 L CA 1.398 56.175 54.840 -0.105 0.000 0.745 57 L CB -0.545 41.478 42.059 -0.059 0.000 0.894 57 L HN 0.405 nan 8.230 nan 0.000 0.432 58 N N 0.325 118.955 118.700 -0.117 0.000 2.011 58 N HA -0.271 4.469 4.740 -0.000 0.000 0.199 58 N C 1.479 176.872 175.510 -0.194 0.000 1.047 58 N CA 2.303 55.251 53.050 -0.171 0.000 0.863 58 N CB -0.197 38.207 38.487 -0.140 0.000 1.056 58 N HN 0.460 nan 8.380 nan 0.000 0.427 59 N N -0.064 118.588 118.700 -0.080 0.000 2.166 59 N HA -0.138 4.602 4.740 -0.000 0.000 0.186 59 N C 1.923 177.439 175.510 0.010 0.000 1.019 59 N CA 1.409 54.469 53.050 0.017 0.000 0.856 59 N CB -0.137 38.351 38.487 0.001 0.000 0.993 59 N HN 0.357 nan 8.380 nan 0.000 0.426 60 S N 0.426 116.088 115.700 -0.065 0.000 2.423 60 S HA -0.183 4.287 4.470 -0.000 0.000 0.231 60 S C 1.840 176.480 174.600 0.067 0.000 1.014 60 S CA 0.935 59.101 58.200 -0.056 0.000 0.965 60 S CB -0.402 62.687 63.200 -0.185 0.000 0.785 60 S HN 0.458 nan 8.310 nan 0.000 0.495 61 H N 0.470 119.489 119.070 -0.085 0.000 2.326 61 H HA 0.004 4.560 4.556 -0.000 0.000 0.301 61 H C 1.686 177.005 175.328 -0.016 0.000 1.081 61 H CA 1.884 57.878 56.048 -0.090 0.000 1.334 61 H CB -0.686 28.938 29.762 -0.229 0.000 1.385 61 H HN 0.397 nan 8.280 nan 0.000 0.504 62 Y N -0.541 119.651 120.300 -0.180 0.000 2.181 62 Y HA -0.207 4.343 4.550 -0.000 0.000 0.288 62 Y C 2.532 178.295 175.900 -0.228 0.000 1.146 62 Y CA 1.387 59.331 58.100 -0.260 0.000 1.164 62 Y CB -1.375 37.043 38.460 -0.070 0.000 0.982 62 Y HN 0.350 nan 8.280 nan 0.000 0.515 63 Y N 0.127 120.413 120.300 -0.023 0.000 2.128 63 Y HA -0.349 4.201 4.550 -0.000 0.000 0.284 63 Y C 2.858 178.706 175.900 -0.086 0.000 1.154 63 Y CA 2.342 60.403 58.100 -0.065 0.000 1.149 63 Y CB -0.840 37.593 38.460 -0.044 0.000 0.976 63 Y HN 0.266 nan 8.280 nan 0.000 0.505 64 H N -0.189 118.827 119.070 -0.091 0.000 2.352 64 H HA -0.203 4.353 4.556 -0.000 0.000 0.299 64 H C 2.022 177.180 175.328 -0.284 0.000 1.097 64 H CA 2.544 58.489 56.048 -0.172 0.000 1.311 64 H CB -0.355 29.379 29.762 -0.046 0.000 1.377 64 H HN 0.423 nan 8.280 nan 0.000 0.504 65 M N -0.577 118.715 119.600 -0.513 0.000 2.086 65 M HA -0.122 4.358 4.480 -0.000 0.000 0.261 65 M C 2.644 178.392 176.300 -0.920 0.000 1.067 65 M CA 1.646 56.543 55.300 -0.671 0.000 1.116 65 M CB -0.271 31.979 32.600 -0.584 0.000 1.348 65 M HN 0.468 nan 8.290 nan 0.000 0.407 66 A N -0.977 121.229 122.820 -1.023 0.000 1.897 66 A HA -0.183 4.137 4.320 -0.000 0.000 0.215 66 A C 2.006 179.276 177.584 -0.522 0.000 1.181 66 A CA 1.330 52.797 52.037 -0.949 0.000 0.620 66 A CB -1.131 17.459 19.000 -0.684 0.000 0.821 66 A HN 0.527 nan 8.150 nan 0.000 0.443 67 H N 0.078 118.750 119.070 -0.663 0.000 2.491 67 H HA -0.014 4.542 4.556 -0.000 0.000 0.290 67 H C 1.323 176.423 175.328 -0.380 0.000 1.050 67 H CA 1.177 56.884 56.048 -0.569 0.000 1.309 67 H CB -0.105 29.110 29.762 -0.912 0.000 1.392 67 H HN 0.455 nan 8.280 nan 0.000 0.554 68 G N -0.059 108.522 108.800 -0.364 0.000 2.773 68 G HA2 0.156 4.116 3.960 -0.000 0.000 0.186 68 G HA3 0.156 4.116 3.960 -0.000 0.000 0.186 68 G C 0.679 175.435 174.900 -0.240 0.000 1.411 68 G CA -0.073 44.840 45.100 -0.312 0.000 1.054 68 G HN 0.342 nan 8.290 nan 0.000 0.579 69 K N -0.592 119.697 120.400 -0.184 0.000 2.355 69 K HA 0.182 4.502 4.320 -0.000 0.000 0.198 69 K C 1.089 177.656 176.600 -0.055 0.000 1.039 69 K CA 0.150 56.379 56.287 -0.097 0.000 1.075 69 K CB 0.548 33.016 32.500 -0.054 0.000 0.870 69 K HN 0.337 nan 8.250 nan 0.000 0.540 70 D N 1.546 121.896 120.400 -0.084 0.000 2.087 70 D HA -0.169 4.471 4.640 -0.000 0.000 0.192 70 D C 1.397 177.808 176.300 0.185 0.000 0.993 70 D CA 1.312 55.327 54.000 0.025 0.000 0.828 70 D CB -0.006 40.794 40.800 0.000 0.000 0.968 70 D HN 0.108 nan 8.370 nan 0.000 0.448 71 F N 1.401 121.283 119.950 -0.113 0.000 2.171 71 F HA -0.005 4.522 4.527 -0.000 0.000 0.300 71 F C 2.595 178.349 175.800 -0.076 0.000 1.090 71 F CA 0.675 58.620 58.000 -0.092 0.000 1.293 71 F CB -1.270 37.668 39.000 -0.104 0.000 1.013 71 F HN -0.006 nan 8.300 nan 0.000 0.486 72 A N -0.134 122.756 122.820 0.118 0.000 1.940 72 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 72 A C 2.222 179.817 177.584 0.019 0.000 1.176 72 A CA 2.012 54.071 52.037 0.037 0.000 0.631 72 A CB -1.124 17.873 19.000 -0.005 0.000 0.814 72 A HN 0.385 nan 8.150 nan 0.000 0.446 73 S N -0.720 114.995 115.700 0.025 0.000 2.650 73 S HA 0.055 4.525 4.470 -0.000 0.000 0.219 73 S C 1.131 175.731 174.600 0.000 0.000 0.960 73 S CA 0.315 58.523 58.200 0.012 0.000 0.925 73 S CB -0.235 62.976 63.200 0.019 0.000 0.775 73 S HN 0.678 nan 8.310 nan 0.000 0.525 74 R N 0.400 120.890 120.500 -0.016 0.000 2.543 74 R HA 0.399 4.739 4.340 -0.000 0.000 0.323 74 R C 1.093 177.347 176.300 -0.077 0.000 1.002 74 R CA 0.146 56.209 56.100 -0.062 0.000 1.106 74 R CB 0.034 30.260 30.300 -0.124 0.000 1.280 74 R HN 0.406 nan 8.270 nan 0.000 0.549 75 G N 2.155 110.927 108.800 -0.046 0.000 2.176 75 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.252 75 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.252 75 G C 0.023 174.888 174.900 -0.059 0.000 1.024 75 G CA -0.095 44.978 45.100 -0.044 0.000 0.755 75 G HN 0.320 nan 8.290 nan 0.000 0.507 76 I N 1.231 121.763 120.570 -0.064 0.000 2.330 76 I HA 0.295 4.465 4.170 -0.000 0.000 0.286 76 I C -0.343 175.784 176.117 0.016 0.000 1.025 76 I CA -0.627 60.637 61.300 -0.061 0.000 1.197 76 I CB 1.085 38.975 38.000 -0.183 0.000 1.358 76 I HN 0.017 nan 8.210 nan 0.000 0.467 77 E N 7.857 128.058 120.200 0.001 0.000 2.092 77 E HA 0.480 4.830 4.350 -0.000 0.000 0.271 77 E C -0.812 175.789 176.600 0.002 0.000 0.919 77 E CA -0.574 55.827 56.400 0.002 0.000 0.760 77 E CB 2.235 31.929 29.700 -0.011 0.000 1.106 77 E HN 0.500 nan 8.360 nan 0.000 0.408 78 M N 1.333 120.932 119.600 -0.001 0.000 2.404 78 M HA 0.118 4.598 4.480 -0.000 0.000 0.338 78 M C 1.459 177.744 176.300 -0.025 0.000 1.150 78 M CA -0.343 54.952 55.300 -0.008 0.000 1.016 78 M CB 1.693 34.287 32.600 -0.009 0.000 1.672 78 M HN 0.481 nan 8.290 nan 0.000 0.448 79 S N 1.277 116.967 115.700 -0.018 0.000 2.444 79 S HA -0.181 4.289 4.470 -0.000 0.000 0.225 79 S C 0.499 175.081 174.600 -0.030 0.000 1.042 79 S CA 1.188 59.376 58.200 -0.020 0.000 1.132 79 S CB -0.300 62.895 63.200 -0.010 0.000 1.099 79 S HN 0.804 nan 8.310 nan 0.000 0.417 80 E N 0.081 120.267 120.200 -0.023 0.000 2.281 80 E HA 0.523 4.873 4.350 -0.000 0.000 0.266 80 E C -1.414 175.182 176.600 -0.007 0.000 0.893 80 E CA -0.605 55.780 56.400 -0.026 0.000 0.798 80 E CB 2.089 31.787 29.700 -0.003 0.000 1.245 80 E HN 0.264 nan 8.360 nan 0.000 0.410 81 V N 5.060 124.957 119.914 -0.029 0.000 2.732 81 V HA 0.592 4.712 4.120 -0.000 0.000 0.297 81 V C -0.528 175.653 176.094 0.146 0.000 1.060 81 V CA 0.074 62.389 62.300 0.025 0.000 1.038 81 V CB 0.903 32.687 31.823 -0.065 0.000 1.003 81 V HN 0.798 nan 8.190 nan 0.000 0.481 82 R N 5.555 126.180 120.500 0.210 0.000 2.680 82 R HA 0.430 4.770 4.340 -0.000 0.000 0.269 82 R C -1.952 174.497 176.300 0.248 0.000 1.026 82 R CA -0.929 55.322 56.100 0.252 0.000 0.889 82 R CB 1.454 31.836 30.300 0.137 0.000 1.241 82 R HN 0.684 nan 8.270 nan 0.000 0.463 83 L N 2.184 123.500 121.223 0.156 0.000 2.305 83 L HA 0.309 4.649 4.340 -0.000 0.000 0.281 83 L C -0.419 176.434 176.870 -0.029 0.000 1.085 83 L CA -0.332 54.474 54.840 -0.058 0.000 0.813 83 L CB 1.118 43.022 42.059 -0.258 0.000 1.157 83 L HN 0.725 nan 8.230 nan 0.000 0.436 84 N N 4.893 123.570 118.700 -0.039 0.000 2.904 84 N HA 0.025 4.765 4.740 -0.000 0.000 0.257 84 N C 0.606 176.094 175.510 -0.037 0.000 1.363 84 N CA -0.428 52.610 53.050 -0.021 0.000 0.856 84 N CB 0.859 39.345 38.487 -0.001 0.000 1.166 84 N HN 0.625 nan 8.380 nan 0.000 0.499 85 L N 2.325 123.524 121.223 -0.040 0.000 2.127 85 L HA -0.065 4.275 4.340 -0.000 0.000 0.211 85 L C 1.449 178.318 176.870 -0.003 0.000 1.089 85 L CA 1.824 56.649 54.840 -0.025 0.000 0.757 85 L CB -0.526 41.547 42.059 0.024 0.000 0.899 85 L HN 0.358 nan 8.230 nan 0.000 0.434 86 D N -0.303 120.096 120.400 -0.001 0.000 2.106 86 D HA -0.267 4.373 4.640 -0.000 0.000 0.191 86 D C 2.215 178.513 176.300 -0.004 0.000 0.997 86 D CA 1.625 55.626 54.000 0.001 0.000 0.834 86 D CB 0.041 40.840 40.800 -0.001 0.000 0.956 86 D HN 0.286 nan 8.370 nan 0.000 0.448 87 K N -0.399 119.996 120.400 -0.008 0.000 2.155 87 K HA 0.018 4.338 4.320 -0.000 0.000 0.203 87 K C 2.088 178.680 176.600 -0.013 0.000 1.052 87 K CA 0.656 56.938 56.287 -0.008 0.000 0.948 87 K CB -0.204 32.293 32.500 -0.004 0.000 0.728 87 K HN 0.139 nan 8.250 nan 0.000 0.448 88 M N -0.294 119.291 119.600 -0.025 0.000 2.117 88 M HA -0.167 4.313 4.480 -0.000 0.000 0.262 88 M C 1.544 177.824 176.300 -0.034 0.000 1.065 88 M CA 1.417 56.693 55.300 -0.039 0.000 1.114 88 M CB 0.032 32.583 32.600 -0.081 0.000 1.361 88 M HN 0.187 nan 8.290 nan 0.000 0.408 89 M N -0.120 119.468 119.600 -0.020 0.000 2.132 89 M HA -0.175 4.305 4.480 -0.000 0.000 0.263 89 M C 1.748 178.041 176.300 -0.011 0.000 1.065 89 M CA 1.735 57.030 55.300 -0.008 0.000 1.122 89 M CB -1.310 31.299 32.600 0.016 0.000 1.365 89 M HN 0.345 nan 8.290 nan 0.000 0.411 90 E N 0.443 120.638 120.200 -0.010 0.000 2.110 90 E HA -0.259 4.091 4.350 -0.000 0.000 0.193 90 E C 1.939 178.530 176.600 -0.014 0.000 0.988 90 E CA 1.543 57.936 56.400 -0.011 0.000 0.804 90 E CB -0.263 29.432 29.700 -0.008 0.000 0.745 90 E HN 0.586 nan 8.360 nan 0.000 0.458 91 Q N 2.125 121.917 119.800 -0.014 0.000 2.119 91 Q HA -0.203 4.137 4.340 -0.000 0.000 0.201 91 Q C 1.958 177.945 176.000 -0.021 0.000 0.972 91 Q CA 2.011 57.806 55.803 -0.013 0.000 0.847 91 Q CB -0.240 28.495 28.738 -0.005 0.000 0.903 91 Q HN 0.206 nan 8.270 nan 0.000 0.433 92 K N -0.041 120.342 120.400 -0.027 0.000 2.025 92 K HA -0.035 4.285 4.320 -0.000 0.000 0.207 92 K C 2.071 178.651 176.600 -0.033 0.000 1.049 92 K CA 1.552 57.818 56.287 -0.036 0.000 0.933 92 K CB -0.419 32.055 32.500 -0.043 0.000 0.714 92 K HN 0.189 nan 8.250 nan 0.000 0.438 93 S N 0.668 116.352 115.700 -0.026 0.000 2.383 93 S HA -0.135 4.335 4.470 -0.000 0.000 0.229 93 S C 1.824 176.406 174.600 -0.030 0.000 1.030 93 S CA 1.818 60.003 58.200 -0.025 0.000 1.002 93 S CB -0.471 62.718 63.200 -0.018 0.000 0.829 93 S HN 0.500 nan 8.310 nan 0.000 0.467 94 T N 2.230 116.767 114.554 -0.028 0.000 2.569 94 T HA -0.121 4.229 4.350 -0.000 0.000 0.263 94 T C 2.145 176.822 174.700 -0.038 0.000 1.074 94 T CA 1.449 63.532 62.100 -0.030 0.000 1.176 94 T CB -0.772 68.081 68.868 -0.024 0.000 0.863 94 T HN 0.465 nan 8.240 nan 0.000 0.410 95 A N 0.675 123.472 122.820 -0.039 0.000 1.969 95 A HA -0.198 4.122 4.320 -0.000 0.000 0.223 95 A C 2.542 180.092 177.584 -0.057 0.000 1.218 95 A CA 2.353 54.362 52.037 -0.047 0.000 0.667 95 A CB -1.295 17.677 19.000 -0.047 0.000 0.826 95 A HN 0.403 nan 8.150 nan 0.000 0.472 96 V N -0.387 119.495 119.914 -0.054 0.000 2.346 96 V HA -0.177 3.943 4.120 -0.000 0.000 0.244 96 V C 2.482 178.536 176.094 -0.067 0.000 1.037 96 V CA 1.969 64.232 62.300 -0.062 0.000 1.029 96 V CB -0.588 31.202 31.823 -0.054 0.000 0.663 96 V HN 0.552 nan 8.190 nan 0.000 0.454 97 K N 0.556 120.923 120.400 -0.056 0.000 1.988 97 K HA -0.280 4.040 4.320 -0.000 0.000 0.221 97 K C 2.283 178.842 176.600 -0.068 0.000 1.053 97 K CA 2.024 58.278 56.287 -0.056 0.000 0.959 97 K CB -0.728 31.746 32.500 -0.043 0.000 0.728 97 K HN 0.373 nan 8.250 nan 0.000 0.447 98 A N 1.606 124.388 122.820 -0.063 0.000 1.906 98 A HA -0.264 4.056 4.320 -0.000 0.000 0.222 98 A C 2.362 179.892 177.584 -0.091 0.000 1.282 98 A CA 2.420 54.415 52.037 -0.071 0.000 0.675 98 A CB -1.103 17.859 19.000 -0.063 0.000 0.838 98 A HN 0.436 nan 8.150 nan 0.000 0.469 99 L N -0.680 120.486 121.223 -0.096 0.000 2.156 99 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 99 L C 2.994 179.766 176.870 -0.163 0.000 1.095 99 L CA 1.703 56.470 54.840 -0.121 0.000 0.770 99 L CB -0.614 41.379 42.059 -0.110 0.000 0.914 99 L HN 0.788 nan 8.230 nan 0.000 0.439 100 T N -3.903 110.563 114.554 -0.147 0.000 2.851 100 T HA -0.049 4.301 4.350 -0.000 0.000 0.262 100 T C 1.964 176.555 174.700 -0.182 0.000 1.043 100 T CA 0.810 62.802 62.100 -0.181 0.000 1.140 100 T CB -0.730 68.054 68.868 -0.140 0.000 0.872 100 T HN 0.326 nan 8.240 nan 0.000 0.446 101 G N 1.558 110.284 108.800 -0.124 0.000 2.476 101 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.218 101 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.218 101 G C 1.776 176.611 174.900 -0.108 0.000 1.164 101 G CA 0.799 45.842 45.100 -0.095 0.000 0.768 101 G HN 0.678 nan 8.290 nan 0.000 0.560 102 G N 0.933 109.654 108.800 -0.131 0.000 2.503 102 G HA2 -0.265 3.694 3.960 -0.000 0.000 0.221 102 G HA3 -0.265 3.694 3.960 -0.000 0.000 0.221 102 G C 1.757 176.556 174.900 -0.170 0.000 1.131 102 G CA 1.013 46.035 45.100 -0.129 0.000 0.756 102 G HN 0.473 nan 8.290 nan 0.000 0.572 103 I N 1.076 121.449 120.570 -0.327 0.000 2.162 103 I HA -0.106 4.064 4.170 -0.000 0.000 0.238 103 I C 3.311 179.102 176.117 -0.543 0.000 1.076 103 I CA 0.900 61.855 61.300 -0.577 0.000 1.353 103 I CB -0.377 37.116 38.000 -0.845 0.000 1.063 103 I HN 0.242 nan 8.210 nan 0.000 0.408 104 A N -0.194 122.386 122.820 -0.400 0.000 2.042 104 A HA -0.318 4.002 4.320 -0.000 0.000 0.222 104 A C 2.276 179.820 177.584 -0.067 0.000 1.167 104 A CA 2.017 53.919 52.037 -0.225 0.000 0.649 104 A CB -1.073 17.864 19.000 -0.105 0.000 0.809 104 A HN 0.561 nan 8.150 nan 0.000 0.457 105 H N -0.621 118.369 119.070 -0.133 0.000 2.448 105 H HA 0.137 4.693 4.556 -0.000 0.000 0.292 105 H C 1.837 177.153 175.328 -0.021 0.000 1.035 105 H CA 1.212 57.228 56.048 -0.053 0.000 1.349 105 H CB -0.048 29.681 29.762 -0.055 0.000 1.425 105 H HN 0.446 nan 8.280 nan 0.000 0.539 106 L N -0.025 121.213 121.223 0.024 0.000 2.191 106 L HA -0.169 4.171 4.340 -0.000 0.000 0.212 106 L C 2.300 179.265 176.870 0.158 0.000 1.103 106 L CA 0.472 55.348 54.840 0.060 0.000 0.769 106 L CB -0.381 41.691 42.059 0.022 0.000 0.908 106 L HN 0.163 nan 8.230 nan 0.000 0.438 107 F N 0.773 120.698 119.950 -0.042 0.000 2.074 107 F HA -0.190 4.336 4.527 -0.000 0.000 0.293 107 F C 2.590 178.355 175.800 -0.058 0.000 1.116 107 F CA 1.440 59.422 58.000 -0.030 0.000 1.212 107 F CB -1.011 37.974 39.000 -0.024 0.000 0.998 107 F HN 0.029 nan 8.300 nan 0.000 0.471 108 K N 0.860 121.319 120.400 0.098 0.000 2.077 108 K HA -0.297 4.023 4.320 -0.000 0.000 0.213 108 K C 2.007 178.562 176.600 -0.075 0.000 1.051 108 K CA 2.129 58.391 56.287 -0.043 0.000 0.929 108 K CB -0.708 31.692 32.500 -0.167 0.000 0.715 108 K HN 0.379 nan 8.250 nan 0.000 0.451 109 Q N 0.520 120.252 119.800 -0.113 0.000 1.856 109 Q HA -0.146 4.194 4.340 -0.000 0.000 0.233 109 Q C 1.486 177.491 176.000 0.009 0.000 0.995 109 Q CA 2.094 57.867 55.803 -0.051 0.000 0.877 109 Q CB -0.326 28.404 28.738 -0.012 0.000 0.937 109 Q HN 0.507 nan 8.270 nan 0.000 0.423 110 N N 0.981 119.710 118.700 0.049 0.000 2.659 110 N HA -0.130 4.610 4.740 -0.000 0.000 0.194 110 N C -0.578 174.944 175.510 0.021 0.000 1.140 110 N CA 0.837 53.913 53.050 0.045 0.000 0.936 110 N CB -0.066 38.466 38.487 0.075 0.000 0.970 110 N HN 0.244 nan 8.380 nan 0.000 0.449 111 K N -0.137 120.270 120.400 0.013 0.000 4.823 111 K HA -0.110 4.209 4.320 -0.000 0.000 0.357 111 K C -1.748 174.828 176.600 -0.040 0.000 1.055 111 K CA 0.112 56.394 56.287 -0.008 0.000 1.110 111 K CB -0.940 31.557 32.500 -0.005 0.000 1.617 111 K HN -0.075 nan 8.250 nan 0.000 0.424 112 V N 2.274 122.141 119.914 -0.078 0.000 2.760 112 V HA 0.427 4.547 4.120 -0.000 0.000 0.309 112 V C -0.343 175.637 176.094 -0.190 0.000 1.077 112 V CA -0.962 61.209 62.300 -0.215 0.000 0.910 112 V CB 2.362 33.858 31.823 -0.545 0.000 1.008 112 V HN 0.204 nan 8.190 nan 0.000 0.424 113 V N 3.033 122.856 119.914 -0.153 0.000 2.368 113 V HA 0.344 4.464 4.120 -0.000 0.000 0.266 113 V C 0.019 176.097 176.094 -0.027 0.000 1.045 113 V CA -0.648 61.615 62.300 -0.061 0.000 0.899 113 V CB 0.603 32.403 31.823 -0.038 0.000 1.006 113 V HN 0.909 nan 8.190 nan 0.000 0.470 114 H N 5.105 124.144 119.070 -0.052 0.000 2.800 114 H HA 0.478 5.034 4.556 -0.000 0.000 0.291 114 H C -0.772 174.576 175.328 0.033 0.000 1.076 114 H CA -0.730 55.338 56.048 0.032 0.000 1.452 114 H CB 1.200 31.060 29.762 0.163 0.000 1.461 114 H HN 0.435 nan 8.280 nan 0.000 0.488 115 V N 7.358 127.315 119.914 0.071 0.000 2.304 115 V HA 0.136 4.256 4.120 -0.000 0.000 0.278 115 V C 0.458 176.509 176.094 -0.071 0.000 1.018 115 V CA -1.060 61.197 62.300 -0.072 0.000 0.814 115 V CB 0.666 32.496 31.823 0.011 0.000 1.021 115 V HN 0.813 nan 8.190 nan 0.000 0.440 116 N N 3.777 122.327 118.700 -0.249 0.000 2.430 116 N HA 0.593 5.333 4.740 -0.000 0.000 0.265 116 N C 0.072 175.587 175.510 0.009 0.000 1.100 116 N CA 0.898 53.900 53.050 -0.082 0.000 0.961 116 N CB 1.706 40.112 38.487 -0.135 0.000 1.075 116 N HN 0.955 nan 8.380 nan 0.000 0.478 117 G N 2.090 110.933 108.800 0.072 0.000 2.350 117 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.304 117 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.304 117 G C -2.115 172.890 174.900 0.174 0.000 1.421 117 G CA -0.821 44.339 45.100 0.101 0.000 0.934 117 G HN 0.389 nan 8.290 nan 0.000 0.632 118 Y N 2.141 122.475 120.300 0.058 0.000 2.531 118 Y HA 0.515 5.065 4.550 -0.000 0.000 0.347 118 Y C 1.169 177.105 175.900 0.061 0.000 1.024 118 Y CA -0.087 58.056 58.100 0.071 0.000 1.306 118 Y CB 0.464 38.966 38.460 0.070 0.000 1.149 118 Y HN 0.842 nan 8.280 nan 0.000 0.527 119 G N 4.585 113.672 108.800 0.478 0.000 2.683 119 G HA2 0.394 4.354 3.960 -0.000 0.000 0.260 119 G HA3 0.394 4.354 3.960 -0.000 0.000 0.260 119 G C -1.103 173.857 174.900 0.100 0.000 1.238 119 G CA -0.507 44.732 45.100 0.231 0.000 0.934 119 G HN 0.691 nan 8.290 nan 0.000 0.534 120 K N -0.762 119.665 120.400 0.045 0.000 2.669 120 K HA 0.027 4.347 4.320 -0.000 0.000 0.274 120 K C -1.061 175.540 176.600 0.001 0.000 1.057 120 K CA -0.771 55.506 56.287 -0.017 0.000 1.001 120 K CB 0.679 33.128 32.500 -0.085 0.000 1.384 120 K HN 0.332 nan 8.250 nan 0.000 0.418 121 I N 5.229 125.800 120.570 0.001 0.000 2.406 121 I HA 0.060 4.230 4.170 -0.000 0.000 0.293 121 I C 1.260 177.374 176.117 -0.006 0.000 1.101 121 I CA -0.088 61.216 61.300 0.006 0.000 1.334 121 I CB 0.390 38.397 38.000 0.011 0.000 1.421 121 I HN 0.796 nan 8.210 nan 0.000 0.513 122 T N 1.697 116.248 114.554 -0.005 0.000 3.081 122 T HA 0.290 4.640 4.350 -0.000 0.000 0.250 122 T C 0.890 175.586 174.700 -0.007 0.000 1.100 122 T CA 0.113 62.207 62.100 -0.010 0.000 1.038 122 T CB 0.612 69.474 68.868 -0.009 0.000 0.962 122 T HN 0.705 nan 8.240 nan 0.000 0.516 123 G N 0.208 109.007 108.800 -0.003 0.000 2.947 123 G HA2 0.541 4.501 3.960 -0.000 0.000 0.293 123 G HA3 0.541 4.501 3.960 -0.000 0.000 0.293 123 G C -0.220 174.679 174.900 -0.000 0.000 1.243 123 G CA -0.724 44.374 45.100 -0.003 0.000 0.802 123 G HN 0.002 nan 8.290 nan 0.000 0.560 124 K N -1.051 119.348 120.400 -0.001 0.000 2.365 124 K HA 0.208 4.528 4.320 -0.000 0.000 0.195 124 K C 0.647 177.251 176.600 0.005 0.000 1.079 124 K CA 0.387 56.674 56.287 0.001 0.000 0.979 124 K CB 0.345 32.842 32.500 -0.004 0.000 0.929 124 K HN 0.328 nan 8.250 nan 0.000 0.523 125 N N 0.252 118.954 118.700 0.003 0.000 2.305 125 N HA 0.054 4.794 4.740 -0.000 0.000 0.248 125 N C -1.359 174.153 175.510 0.003 0.000 1.290 125 N CA -0.147 52.905 53.050 0.003 0.000 0.873 125 N CB 1.224 39.709 38.487 -0.003 0.000 1.261 125 N HN -0.048 nan 8.380 nan 0.000 0.504 126 Q N 1.174 120.978 119.800 0.005 0.000 2.285 126 Q HA 0.483 4.823 4.340 -0.000 0.000 0.269 126 Q C -1.840 174.166 176.000 0.010 0.000 1.030 126 Q CA -0.548 55.258 55.803 0.005 0.000 0.788 126 Q CB 2.096 30.834 28.738 0.001 0.000 1.266 126 Q HN -0.060 nan 8.270 nan 0.000 0.438 127 V N 2.448 122.370 119.914 0.014 0.000 2.604 127 V HA 0.586 4.706 4.120 -0.000 0.000 0.305 127 V C -0.342 175.764 176.094 0.020 0.000 1.043 127 V CA -0.509 61.804 62.300 0.022 0.000 0.888 127 V CB 1.971 33.814 31.823 0.033 0.000 0.995 127 V HN 0.826 nan 8.190 nan 0.000 0.429 128 T N 3.165 117.731 114.554 0.020 0.000 2.861 128 T HA 0.755 5.105 4.350 -0.000 0.000 0.287 128 T C -0.659 174.060 174.700 0.032 0.000 1.003 128 T CA -0.162 61.949 62.100 0.019 0.000 0.977 128 T CB 1.451 70.322 68.868 0.006 0.000 0.996 128 T HN 1.045 nan 8.240 nan 0.000 0.448 129 A N 3.865 126.709 122.820 0.041 0.000 2.328 129 A HA 0.568 4.888 4.320 -0.000 0.000 0.318 129 A C 0.490 178.110 177.584 0.060 0.000 1.347 129 A CA -0.631 51.447 52.037 0.068 0.000 0.842 129 A CB 0.149 19.191 19.000 0.071 0.000 1.148 129 A HN 0.840 nan 8.150 nan 0.000 0.499 130 T N 4.158 118.751 114.554 0.065 0.000 2.761 130 T HA 0.031 4.381 4.350 -0.000 0.000 0.262 130 T C 0.836 175.587 174.700 0.086 0.000 0.968 130 T CA 0.717 62.853 62.100 0.060 0.000 1.235 130 T CB -0.529 68.368 68.868 0.048 0.000 0.925 130 T HN 0.628 nan 8.240 nan 0.000 0.545 131 K N 1.604 122.037 120.400 0.056 0.000 2.244 131 K HA 0.280 4.600 4.320 -0.000 0.000 0.242 131 K C 1.895 178.527 176.600 0.055 0.000 1.082 131 K CA -0.031 56.285 56.287 0.048 0.000 0.841 131 K CB 0.055 32.568 32.500 0.022 0.000 1.129 131 K HN 0.513 nan 8.250 nan 0.000 0.516 132 A N 1.344 124.188 122.820 0.040 0.000 1.941 132 A HA -0.246 4.074 4.320 -0.000 0.000 0.220 132 A C 0.410 178.020 177.584 0.042 0.000 1.407 132 A CA 2.419 54.480 52.037 0.039 0.000 0.766 132 A CB -0.697 18.318 19.000 0.024 0.000 0.838 132 A HN 0.762 nan 8.150 nan 0.000 0.482 133 D N -0.823 119.595 120.400 0.030 0.000 2.930 133 D HA 0.482 5.122 4.640 -0.000 0.000 0.304 133 D C 0.362 176.676 176.300 0.023 0.000 1.298 133 D CA 1.085 55.101 54.000 0.027 0.000 0.949 133 D CB 0.049 40.861 40.800 0.020 0.000 1.013 133 D HN 0.978 nan 8.370 nan 0.000 0.510 134 G N -0.080 108.737 108.800 0.028 0.000 2.880 134 G HA2 0.261 4.221 3.960 -0.000 0.000 0.617 134 G HA3 0.261 4.221 3.960 -0.000 0.000 0.617 134 G C 0.623 175.533 174.900 0.017 0.000 1.493 134 G CA -0.167 44.946 45.100 0.021 0.000 0.916 134 G HN 1.146 nan 8.290 nan 0.000 0.553 135 G N -1.292 107.516 108.800 0.013 0.000 2.245 135 G HA2 0.349 4.309 3.960 -0.000 0.000 0.130 135 G HA3 0.349 4.309 3.960 -0.000 0.000 0.130 135 G C 1.162 176.068 174.900 0.009 0.000 1.040 135 G CA 1.092 46.197 45.100 0.009 0.000 0.713 135 G HN 3.050 nan 8.290 nan 0.000 0.488 136 T N -2.058 112.503 114.554 0.012 0.000 2.589 136 T HA 0.241 4.591 4.350 -0.000 0.000 0.376 136 T C 0.220 174.925 174.700 0.009 0.000 1.060 136 T CA 1.725 63.834 62.100 0.014 0.000 1.096 136 T CB 1.140 70.014 68.868 0.010 0.000 1.016 136 T HN 1.678 nan 8.240 nan 0.000 0.543 137 Q N 0.555 120.361 119.800 0.011 0.000 2.269 137 Q HA 0.540 4.880 4.340 -0.000 0.000 0.263 137 Q C -1.597 174.408 176.000 0.008 0.000 0.983 137 Q CA -0.721 55.086 55.803 0.006 0.000 0.777 137 Q CB 1.718 30.457 28.738 0.002 0.000 1.273 137 Q HN 0.727 nan 8.270 nan 0.000 0.440 138 V N 5.351 125.267 119.914 0.004 0.000 2.509 138 V HA 0.527 4.647 4.120 -0.000 0.000 0.284 138 V C -0.154 175.942 176.094 0.003 0.000 1.047 138 V CA -0.391 61.912 62.300 0.004 0.000 0.952 138 V CB 1.104 32.927 31.823 0.001 0.000 0.988 138 V HN 0.758 nan 8.190 nan 0.000 0.469 139 I N 3.865 124.438 120.570 0.006 0.000 2.439 139 I HA 0.384 4.553 4.170 -0.000 0.000 0.285 139 I C -0.458 175.661 176.117 0.002 0.000 1.021 139 I CA -0.223 61.079 61.300 0.004 0.000 1.091 139 I CB 1.700 39.705 38.000 0.009 0.000 1.242 139 I HN 0.493 nan 8.210 nan 0.000 0.439 140 D N 4.312 124.709 120.400 -0.003 0.000 2.225 140 D HA 0.442 5.082 4.640 -0.000 0.000 0.248 140 D C -0.138 176.156 176.300 -0.011 0.000 1.096 140 D CA 0.073 54.069 54.000 -0.006 0.000 0.863 140 D CB 2.102 42.897 40.800 -0.009 0.000 1.156 140 D HN 0.436 nan 8.370 nan 0.000 0.450 141 T N 0.810 115.357 114.554 -0.011 0.000 3.041 141 T HA 0.122 4.472 4.350 -0.000 0.000 0.321 141 T C 0.810 175.498 174.700 -0.020 0.000 1.184 141 T CA -0.739 61.350 62.100 -0.017 0.000 1.050 141 T CB 1.171 70.036 68.868 -0.005 0.000 1.159 141 T HN 0.094 nan 8.240 nan 0.000 0.469 142 K N 2.885 123.258 120.400 -0.045 0.000 1.969 142 K HA 0.023 4.343 4.320 -0.000 0.000 0.216 142 K C 0.636 177.231 176.600 -0.009 0.000 1.048 142 K CA 1.157 57.415 56.287 -0.050 0.000 0.948 142 K CB -0.278 32.154 32.500 -0.112 0.000 0.726 142 K HN 0.578 nan 8.250 nan 0.000 0.442 143 N N 0.780 119.478 118.700 -0.004 0.000 2.417 143 N HA 0.270 5.010 4.740 -0.000 0.000 0.300 143 N C -0.735 174.827 175.510 0.087 0.000 1.102 143 N CA -0.516 52.590 53.050 0.093 0.000 0.886 143 N CB 1.956 40.514 38.487 0.119 0.000 1.203 143 N HN 0.076 nan 8.380 nan 0.000 0.496 144 I N 0.679 121.336 120.570 0.144 0.000 2.439 144 I HA 0.394 4.564 4.170 -0.000 0.000 0.285 144 I C -1.696 174.516 176.117 0.159 0.000 1.021 144 I CA -0.826 60.541 61.300 0.113 0.000 1.091 144 I CB 1.341 39.387 38.000 0.075 0.000 1.242 144 I HN 0.329 nan 8.210 nan 0.000 0.439 145 L N 8.489 129.782 121.223 0.116 0.000 2.287 145 L HA 0.634 4.974 4.340 -0.000 0.000 0.287 145 L C -0.997 175.933 176.870 0.099 0.000 1.022 145 L CA -0.234 54.676 54.840 0.117 0.000 0.814 145 L CB 0.992 43.074 42.059 0.038 0.000 1.217 145 L HN 0.557 nan 8.230 nan 0.000 0.420 146 I N 5.856 126.496 120.570 0.118 0.000 2.312 146 I HA 0.455 4.625 4.170 -0.000 0.000 0.291 146 I C 0.250 176.425 176.117 0.098 0.000 1.031 146 I CA -0.344 61.020 61.300 0.107 0.000 1.293 146 I CB 1.204 39.270 38.000 0.110 0.000 1.403 146 I HN 0.815 nan 8.210 nan 0.000 0.484 147 A N 3.991 126.867 122.820 0.093 0.000 3.159 147 A HA 0.374 4.694 4.320 -0.000 0.000 0.330 147 A C 0.730 178.379 177.584 0.109 0.000 1.032 147 A CA -0.455 51.632 52.037 0.083 0.000 0.841 147 A CB -0.166 18.863 19.000 0.049 0.000 1.093 147 A HN 0.768 nan 8.150 nan 0.000 0.478 148 T N -2.513 112.128 114.554 0.145 0.000 3.086 148 T HA 0.441 4.791 4.350 -0.000 0.000 0.250 148 T C 1.440 176.270 174.700 0.217 0.000 1.074 148 T CA 0.981 63.209 62.100 0.213 0.000 0.988 148 T CB -0.077 68.957 68.868 0.277 0.000 0.988 148 T HN 1.973 nan 8.240 nan 0.000 0.530 149 G N 2.122 111.010 108.800 0.148 0.000 2.583 149 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.292 149 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.292 149 G C 0.121 175.108 174.900 0.145 0.000 1.203 149 G CA 0.725 45.890 45.100 0.109 0.000 0.987 149 G HN 1.650 nan 8.290 nan 0.000 0.554 150 S N -0.523 115.229 115.700 0.087 0.000 2.685 150 S HA 0.794 5.264 4.470 -0.000 0.000 0.282 150 S C -0.686 173.921 174.600 0.010 0.000 1.159 150 S CA 0.404 58.662 58.200 0.097 0.000 0.833 150 S CB 2.469 65.711 63.200 0.071 0.000 1.151 150 S HN 1.790 nan 8.310 nan 0.000 0.485 151 E N -0.517 119.714 120.200 0.050 0.000 2.445 151 E HA 0.680 5.030 4.350 -0.000 0.000 0.273 151 E C -1.447 175.178 176.600 0.041 0.000 0.961 151 E CA -1.353 55.045 56.400 -0.003 0.000 0.807 151 E CB 1.271 30.983 29.700 0.020 0.000 1.362 151 E HN 0.415 nan 8.360 nan 0.000 0.453 152 V N 1.638 121.571 119.914 0.032 0.000 2.521 152 V HA 0.111 4.231 4.120 -0.000 0.000 0.286 152 V C 0.084 176.219 176.094 0.068 0.000 1.034 152 V CA -0.148 62.182 62.300 0.050 0.000 1.045 152 V CB 0.859 32.709 31.823 0.044 0.000 0.974 152 V HN 0.700 nan 8.190 nan 0.000 0.480 153 T N 8.986 123.584 114.554 0.074 0.000 2.784 153 T HA 0.132 4.482 4.350 -0.000 0.000 0.291 153 T C -1.826 172.926 174.700 0.087 0.000 0.942 153 T CA -0.333 61.812 62.100 0.076 0.000 1.161 153 T CB 0.313 69.224 68.868 0.073 0.000 0.885 153 T HN 0.606 nan 8.240 nan 0.000 0.534 154 P HA 0.170 nan 4.420 nan 0.000 0.271 154 P C -0.568 176.803 177.300 0.117 0.000 1.218 154 P CA -0.544 62.616 63.100 0.100 0.000 0.780 154 P CB 0.568 32.312 31.700 0.073 0.000 0.901 155 F N 4.446 124.413 119.950 0.028 0.000 2.420 155 F HA 0.317 4.844 4.527 -0.000 0.000 0.352 155 F C -1.828 173.987 175.800 0.025 0.000 1.108 155 F CA -2.536 55.480 58.000 0.027 0.000 1.162 155 F CB 0.359 39.377 39.000 0.031 0.000 1.118 155 F HN 0.183 nan 8.300 nan 0.000 0.510 156 P HA 0.144 nan 4.420 nan 0.000 0.256 156 P C 0.477 177.719 177.300 -0.097 0.000 1.189 156 P CA 1.533 64.443 63.100 -0.317 0.000 0.808 156 P CB 0.071 31.487 31.700 -0.472 0.000 0.793 157 G N 3.396 112.221 108.800 0.042 0.000 2.397 157 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.211 157 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.211 157 G C 0.112 175.101 174.900 0.148 0.000 1.077 157 G CA -0.515 44.645 45.100 0.099 0.000 0.649 157 G HN 0.474 nan 8.290 nan 0.000 0.511 158 I N 3.026 123.752 120.570 0.260 0.000 2.379 158 I HA 0.407 4.577 4.170 -0.000 0.000 0.290 158 I C 0.294 176.495 176.117 0.139 0.000 1.063 158 I CA 0.381 61.795 61.300 0.190 0.000 1.351 158 I CB 1.525 39.645 38.000 0.199 0.000 1.410 158 I HN 0.079 nan 8.210 nan 0.000 0.505 159 T N 7.588 122.191 114.554 0.083 0.000 2.738 159 T HA 0.354 4.704 4.350 -0.000 0.000 0.298 159 T C 0.408 175.135 174.700 0.046 0.000 0.962 159 T CA -0.462 61.675 62.100 0.061 0.000 0.972 159 T CB 0.213 69.107 68.868 0.043 0.000 0.928 159 T HN 0.162 nan 8.240 nan 0.000 0.474 160 I N 5.169 125.768 120.570 0.049 0.000 2.691 160 I HA 0.020 4.190 4.170 -0.000 0.000 0.288 160 I C 1.077 177.206 176.117 0.020 0.000 1.143 160 I CA -0.069 61.250 61.300 0.032 0.000 1.364 160 I CB -0.409 37.613 38.000 0.038 0.000 1.435 160 I HN 0.693 nan 8.210 nan 0.000 0.551 161 D N 3.879 124.285 120.400 0.009 0.000 2.358 161 D HA -0.002 4.638 4.640 -0.000 0.000 0.224 161 D C 0.848 177.144 176.300 -0.005 0.000 1.123 161 D CA -0.265 53.736 54.000 0.003 0.000 0.833 161 D CB 0.035 40.834 40.800 -0.001 0.000 0.946 161 D HN 0.400 nan 8.370 nan 0.000 0.505 162 E N -0.841 119.356 120.200 -0.006 0.000 2.551 162 E HA -0.314 4.036 4.350 -0.000 0.000 0.251 162 E C 0.128 176.713 176.600 -0.025 0.000 1.210 162 E CA 1.385 57.778 56.400 -0.012 0.000 0.725 162 E CB -1.114 28.582 29.700 -0.007 0.000 1.290 162 E HN 0.636 nan 8.360 nan 0.000 0.413 163 D N -3.579 116.802 120.400 -0.032 0.000 3.195 163 D HA 0.149 4.789 4.640 -0.000 0.000 0.245 163 D C 1.419 177.681 176.300 -0.063 0.000 1.462 163 D CA 0.949 54.923 54.000 -0.044 0.000 1.259 163 D CB -0.145 40.634 40.800 -0.035 0.000 1.199 163 D HN 0.061 nan 8.370 nan 0.000 0.345 164 T N -0.990 113.530 114.554 -0.056 0.000 3.023 164 T HA 0.334 4.684 4.350 -0.000 0.000 0.249 164 T C 0.484 175.145 174.700 -0.065 0.000 1.050 164 T CA -0.118 61.941 62.100 -0.068 0.000 1.088 164 T CB 0.052 68.887 68.868 -0.056 0.000 0.946 164 T HN 0.089 nan 8.240 nan 0.000 0.480 165 I N 3.789 124.332 120.570 -0.046 0.000 2.330 165 I HA 0.475 4.645 4.170 -0.000 0.000 0.289 165 I C -0.444 175.655 176.117 -0.029 0.000 1.001 165 I CA -1.018 60.260 61.300 -0.038 0.000 1.193 165 I CB 1.674 39.663 38.000 -0.019 0.000 1.345 165 I HN 0.081 nan 8.210 nan 0.000 0.461 166 V N 2.607 122.501 119.914 -0.034 0.000 3.126 166 V HA 0.792 4.912 4.120 -0.000 0.000 0.314 166 V C -0.029 176.065 176.094 -0.000 0.000 1.138 166 V CA -0.594 61.693 62.300 -0.021 0.000 1.034 166 V CB 1.688 33.487 31.823 -0.040 0.000 1.075 166 V HN 0.721 nan 8.190 nan 0.000 0.442 167 S N -0.024 115.684 115.700 0.013 0.000 2.766 167 S HA 0.458 4.928 4.470 -0.000 0.000 0.307 167 S C 1.400 176.023 174.600 0.038 0.000 1.121 167 S CA 0.082 58.300 58.200 0.030 0.000 0.980 167 S CB 1.120 64.339 63.200 0.032 0.000 1.159 167 S HN 1.995 nan 8.310 nan 0.000 0.546 168 S N 0.287 116.018 115.700 0.051 0.000 2.399 168 S HA -0.282 4.188 4.470 -0.000 0.000 0.235 168 S C 1.950 176.584 174.600 0.057 0.000 1.063 168 S CA 2.339 60.577 58.200 0.063 0.000 1.070 168 S CB -1.977 61.258 63.200 0.058 0.000 0.904 168 S HN 1.066 nan 8.310 nan 0.000 0.456 169 T N 0.853 115.428 114.554 0.035 0.000 2.777 169 T HA 0.070 4.420 4.350 -0.000 0.000 0.266 169 T C 1.966 176.683 174.700 0.028 0.000 1.040 169 T CA 1.702 63.816 62.100 0.024 0.000 1.141 169 T CB -1.177 67.693 68.868 0.004 0.000 0.868 169 T HN 0.564 nan 8.240 nan 0.000 0.444 170 G N 0.206 109.018 108.800 0.019 0.000 2.421 170 G HA2 0.167 4.127 3.960 -0.000 0.000 0.217 170 G HA3 0.167 4.127 3.960 -0.000 0.000 0.217 170 G C 1.897 176.807 174.900 0.017 0.000 1.143 170 G CA 0.744 45.847 45.100 0.005 0.000 0.784 170 G HN 0.708 nan 8.290 nan 0.000 0.541 171 A N 0.650 123.500 122.820 0.050 0.000 2.014 171 A HA 0.187 4.507 4.320 -0.000 0.000 0.218 171 A C 2.079 179.839 177.584 0.293 0.000 1.163 171 A CA 0.793 52.904 52.037 0.123 0.000 0.652 171 A CB -0.250 18.841 19.000 0.152 0.000 0.808 171 A HN 0.355 nan 8.150 nan 0.000 0.449 172 L N -0.182 121.154 121.223 0.188 0.000 2.650 172 L HA 0.116 4.456 4.340 -0.000 0.000 0.235 172 L C 0.393 177.370 176.870 0.179 0.000 1.149 172 L CA 0.543 55.492 54.840 0.182 0.000 0.887 172 L CB 0.036 42.140 42.059 0.075 0.000 1.021 172 L HN 0.164 nan 8.230 nan 0.000 0.441 173 S N -0.632 115.168 115.700 0.167 0.000 2.949 173 S HA 0.316 4.786 4.470 -0.000 0.000 0.246 173 S C -0.024 174.612 174.600 0.059 0.000 0.899 173 S CA -0.603 57.665 58.200 0.114 0.000 1.091 173 S CB 0.293 63.523 63.200 0.050 0.000 1.199 173 S HN -0.045 nan 8.310 nan 0.000 0.507 174 L N 2.452 123.692 121.223 0.029 0.000 2.499 174 L HA 0.190 4.530 4.340 -0.000 0.000 0.281 174 L C 1.538 178.364 176.870 -0.074 0.000 1.234 174 L CA 0.808 55.547 54.840 -0.169 0.000 0.839 174 L CB 0.205 41.887 42.059 -0.629 0.000 1.104 174 L HN 0.159 nan 8.230 nan 0.000 0.500 175 K N 1.948 122.288 120.400 -0.101 0.000 2.393 175 K HA 0.091 4.411 4.320 -0.000 0.000 0.193 175 K C -0.071 176.500 176.600 -0.049 0.000 1.026 175 K CA 0.250 56.508 56.287 -0.048 0.000 1.064 175 K CB 0.187 32.658 32.500 -0.048 0.000 0.833 175 K HN 0.674 nan 8.250 nan 0.000 0.521 176 K N -1.424 118.915 120.400 -0.101 0.000 2.587 176 K HA 0.221 4.541 4.320 -0.000 0.000 0.276 176 K C -0.818 175.693 176.600 -0.149 0.000 0.956 176 K CA -0.758 55.481 56.287 -0.079 0.000 0.857 176 K CB 1.464 33.917 32.500 -0.079 0.000 1.431 176 K HN -0.299 nan 8.250 nan 0.000 0.420 177 V N 3.551 123.435 119.914 -0.050 0.000 2.458 177 V HA 0.112 4.231 4.120 -0.000 0.000 0.287 177 V C -1.686 174.330 176.094 -0.130 0.000 1.009 177 V CA -0.679 61.593 62.300 -0.047 0.000 1.091 177 V CB -0.117 31.744 31.823 0.063 0.000 0.960 177 V HN 0.722 nan 8.190 nan 0.000 0.476 178 P HA 0.137 nan 4.420 nan 0.000 0.276 178 P C 0.733 177.967 177.300 -0.110 0.000 1.230 178 P CA -0.175 62.812 63.100 -0.188 0.000 0.776 178 P CB 1.226 32.764 31.700 -0.269 0.000 0.888 179 E N 3.024 123.173 120.200 -0.086 0.000 2.026 179 E HA -0.179 4.171 4.350 -0.000 0.000 0.206 179 E C 0.099 176.661 176.600 -0.064 0.000 1.028 179 E CA 1.460 57.824 56.400 -0.060 0.000 0.845 179 E CB 0.148 29.817 29.700 -0.052 0.000 0.772 179 E HN 0.452 nan 8.360 nan 0.000 0.462 180 K N -0.040 120.315 120.400 -0.075 0.000 2.318 180 K HA 0.437 4.757 4.320 -0.000 0.000 0.249 180 K C -0.625 175.917 176.600 -0.098 0.000 0.942 180 K CA -0.629 55.612 56.287 -0.076 0.000 0.808 180 K CB 2.312 34.775 32.500 -0.061 0.000 1.189 180 K HN 0.148 nan 8.250 nan 0.000 0.428 181 M N 1.632 121.172 119.600 -0.101 0.000 2.386 181 M HA 0.355 4.835 4.480 -0.000 0.000 0.293 181 M C -1.866 174.382 176.300 -0.087 0.000 1.120 181 M CA -0.838 54.395 55.300 -0.112 0.000 0.909 181 M CB 2.031 34.547 32.600 -0.140 0.000 1.661 181 M HN 0.349 nan 8.290 nan 0.000 0.452 182 V N 4.298 124.166 119.914 -0.076 0.000 2.547 182 V HA 0.559 4.679 4.120 -0.000 0.000 0.299 182 V C -0.622 175.447 176.094 -0.041 0.000 1.040 182 V CA -0.679 61.586 62.300 -0.057 0.000 0.913 182 V CB 1.947 33.735 31.823 -0.059 0.000 0.992 182 V HN 0.724 nan 8.190 nan 0.000 0.449 183 V N 5.571 125.479 119.914 -0.010 0.000 2.370 183 V HA 0.408 4.528 4.120 -0.000 0.000 0.283 183 V C -0.026 176.069 176.094 0.003 0.000 1.023 183 V CA -0.568 61.745 62.300 0.020 0.000 0.857 183 V CB 1.637 33.516 31.823 0.093 0.000 0.985 183 V HN 0.564 nan 8.190 nan 0.000 0.443 184 I N 4.799 125.353 120.570 -0.028 0.000 2.308 184 I HA 0.514 4.684 4.170 -0.000 0.000 0.293 184 I C 0.871 177.000 176.117 0.020 0.000 1.078 184 I CA 0.574 61.841 61.300 -0.055 0.000 1.292 184 I CB 0.124 38.022 38.000 -0.169 0.000 1.423 184 I HN 0.921 nan 8.210 nan 0.000 0.493 185 G N 5.057 113.891 108.800 0.056 0.000 3.445 185 G HA2 0.057 4.017 3.960 -0.000 0.000 0.686 185 G HA3 0.057 4.017 3.960 -0.000 0.000 0.686 185 G C -0.067 174.896 174.900 0.104 0.000 1.113 185 G CA -0.394 44.759 45.100 0.088 0.000 0.974 185 G HN 0.953 nan 8.290 nan 0.000 0.492 186 A N 2.044 124.925 122.820 0.101 0.000 3.135 186 A HA 0.727 5.047 4.320 -0.000 0.000 0.253 186 A C 1.392 179.034 177.584 0.097 0.000 1.638 186 A CA 1.109 53.219 52.037 0.122 0.000 1.295 186 A CB -0.344 18.737 19.000 0.134 0.000 1.106 186 A HN 2.038 nan 8.150 nan 0.000 0.648 187 G N -0.939 107.932 108.800 0.117 0.000 2.532 187 G HA2 0.377 4.337 3.960 -0.000 0.000 0.291 187 G HA3 0.377 4.337 3.960 -0.000 0.000 0.291 187 G C 1.063 176.066 174.900 0.172 0.000 1.349 187 G CA 0.048 45.225 45.100 0.129 0.000 1.038 187 G HN 0.192 nan 8.290 nan 0.000 0.518 188 V N -0.131 119.890 119.914 0.179 0.000 2.324 188 V HA -0.196 3.924 4.120 -0.000 0.000 0.250 188 V C 2.878 179.078 176.094 0.176 0.000 1.060 188 V CA 1.705 64.118 62.300 0.188 0.000 1.042 188 V CB -0.658 31.257 31.823 0.154 0.000 0.650 188 V HN 0.536 nan 8.190 nan 0.000 0.450 189 I N 0.914 121.572 120.570 0.147 0.000 2.163 189 I HA -0.185 3.985 4.170 -0.000 0.000 0.243 189 I C 2.507 178.718 176.117 0.157 0.000 1.085 189 I CA 2.041 63.422 61.300 0.135 0.000 1.347 189 I CB -1.093 36.972 38.000 0.108 0.000 1.044 189 I HN 0.304 nan 8.210 nan 0.000 0.408 190 G N 0.025 108.926 108.800 0.168 0.000 2.480 190 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.216 190 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.216 190 G C 1.781 176.850 174.900 0.281 0.000 1.200 190 G CA 1.618 46.835 45.100 0.195 0.000 0.782 190 G HN 0.410 nan 8.290 nan 0.000 0.554 191 V N -1.407 118.693 119.914 0.310 0.000 2.490 191 V HA -0.048 4.072 4.120 -0.000 0.000 0.250 191 V C 2.225 178.549 176.094 0.384 0.000 1.061 191 V CA 2.478 65.035 62.300 0.428 0.000 1.064 191 V CB -0.556 31.465 31.823 0.330 0.000 0.670 191 V HN 0.444 nan 8.190 nan 0.000 0.461 192 E N -0.054 120.308 120.200 0.269 0.000 2.047 192 E HA -0.107 4.243 4.350 -0.000 0.000 0.191 192 E C 2.085 178.765 176.600 0.135 0.000 0.987 192 E CA 1.429 57.950 56.400 0.203 0.000 0.799 192 E CB -0.096 29.705 29.700 0.168 0.000 0.752 192 E HN 0.509 nan 8.360 nan 0.000 0.449 193 L N -0.269 121.038 121.223 0.140 0.000 2.131 193 L HA 0.017 4.357 4.340 -0.000 0.000 0.206 193 L C 2.298 179.222 176.870 0.090 0.000 1.087 193 L CA 1.570 56.469 54.840 0.098 0.000 0.767 193 L CB -0.881 41.270 42.059 0.154 0.000 0.917 193 L HN 0.139 nan 8.230 nan 0.000 0.441 194 G N -2.083 106.787 108.800 0.118 0.000 2.422 194 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.218 194 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.218 194 G C 1.857 176.563 174.900 -0.324 0.000 1.146 194 G CA 1.002 46.053 45.100 -0.081 0.000 0.769 194 G HN 0.378 nan 8.290 nan 0.000 0.547 195 S N -0.601 115.043 115.700 -0.092 0.000 2.402 195 S HA -0.069 4.401 4.470 -0.000 0.000 0.229 195 S C 2.504 177.013 174.600 -0.151 0.000 1.021 195 S CA 1.193 59.345 58.200 -0.079 0.000 0.974 195 S CB -0.180 63.118 63.200 0.163 0.000 0.800 195 S HN 0.139 nan 8.310 nan 0.000 0.484 196 V N 0.105 119.903 119.914 -0.194 0.000 2.237 196 V HA -0.171 3.949 4.120 -0.000 0.000 0.245 196 V C 1.933 177.751 176.094 -0.461 0.000 1.046 196 V CA 1.938 64.007 62.300 -0.385 0.000 1.007 196 V CB -0.830 30.640 31.823 -0.587 0.000 0.638 196 V HN 0.669 nan 8.190 nan 0.000 0.445 197 W N -0.526 120.689 121.300 -0.142 0.000 2.402 197 W HA -0.126 4.534 4.660 -0.000 0.000 0.286 197 W C 2.647 179.054 176.519 -0.187 0.000 1.221 197 W CA 1.101 58.352 57.345 -0.156 0.000 1.257 197 W CB -0.310 29.062 29.460 -0.146 0.000 1.120 197 W HN 0.183 nan 8.180 nan 0.000 0.551 198 Q N 1.182 120.918 119.800 -0.107 0.000 2.030 198 Q HA -0.232 4.108 4.340 -0.000 0.000 0.204 198 Q C 2.097 178.016 176.000 -0.135 0.000 0.986 198 Q CA 1.963 57.654 55.803 -0.186 0.000 0.843 198 Q CB -0.292 28.231 28.738 -0.358 0.000 0.904 198 Q HN 0.356 nan 8.270 nan 0.000 0.420 199 R N -0.215 120.190 120.500 -0.159 0.000 2.096 199 R HA -0.116 4.224 4.340 -0.000 0.000 0.235 199 R C 2.279 178.591 176.300 0.019 0.000 1.127 199 R CA 0.952 56.984 56.100 -0.114 0.000 0.968 199 R CB -0.228 30.009 30.300 -0.105 0.000 0.861 199 R HN 0.186 nan 8.270 nan 0.000 0.440 200 L N -0.992 120.187 121.223 -0.073 0.000 2.201 200 L HA 0.035 4.375 4.340 -0.000 0.000 0.212 200 L C 1.636 178.495 176.870 -0.018 0.000 1.105 200 L CA 1.991 56.761 54.840 -0.117 0.000 0.775 200 L CB -0.658 41.293 42.059 -0.179 0.000 0.913 200 L HN 0.564 nan 8.230 nan 0.000 0.440 201 G N -2.838 105.972 108.800 0.017 0.000 3.732 201 G HA2 0.060 4.020 3.960 -0.000 0.000 0.220 201 G HA3 0.060 4.020 3.960 -0.000 0.000 0.220 201 G C 0.377 175.279 174.900 0.003 0.000 0.903 201 G CA -0.068 45.037 45.100 0.008 0.000 0.896 201 G HN 0.491 nan 8.290 nan 0.000 0.685 202 A N 0.469 123.299 122.820 0.016 0.000 2.351 202 A HA 0.578 4.898 4.320 -0.000 0.000 0.257 202 A C -0.075 177.473 177.584 -0.061 0.000 1.087 202 A CA 0.565 52.592 52.037 -0.015 0.000 0.798 202 A CB 0.498 19.507 19.000 0.015 0.000 1.033 202 A HN 0.440 nan 8.150 nan 0.000 0.488 203 D N 0.907 121.266 120.400 -0.069 0.000 2.428 203 D HA 0.350 4.990 4.640 -0.000 0.000 0.221 203 D C -0.553 175.678 176.300 -0.115 0.000 1.123 203 D CA -0.188 53.763 54.000 -0.082 0.000 0.869 203 D CB 0.956 41.723 40.800 -0.054 0.000 1.032 203 D HN 0.429 nan 8.370 nan 0.000 0.506 204 V N 3.215 123.015 119.914 -0.191 0.000 2.495 204 V HA 0.695 4.815 4.120 -0.000 0.000 0.298 204 V C -0.703 175.276 176.094 -0.192 0.000 1.031 204 V CA -0.197 61.958 62.300 -0.241 0.000 0.871 204 V CB 1.711 33.306 31.823 -0.380 0.000 0.988 204 V HN 0.579 nan 8.190 nan 0.000 0.432 205 T N 6.040 120.539 114.554 -0.091 0.000 2.829 205 T HA 0.833 5.183 4.350 -0.000 0.000 0.280 205 T C -0.221 174.473 174.700 -0.010 0.000 0.999 205 T CA -0.051 62.017 62.100 -0.053 0.000 0.983 205 T CB 1.571 70.411 68.868 -0.047 0.000 0.968 205 T HN 1.318 nan 8.240 nan 0.000 0.446 206 A N 2.417 125.199 122.820 -0.062 0.000 2.331 206 A HA 0.782 5.102 4.320 -0.000 0.000 0.320 206 A C -0.733 176.889 177.584 0.063 0.000 1.138 206 A CA -0.666 51.384 52.037 0.022 0.000 0.790 206 A CB 1.003 20.018 19.000 0.026 0.000 1.206 206 A HN 0.681 nan 8.150 nan 0.000 0.470 207 V N 2.204 122.157 119.914 0.065 0.000 2.444 207 V HA 0.592 4.712 4.120 -0.000 0.000 0.294 207 V C -0.513 175.629 176.094 0.080 0.000 1.022 207 V CA -0.363 61.973 62.300 0.060 0.000 0.850 207 V CB 1.466 33.298 31.823 0.016 0.000 0.992 207 V HN 1.012 nan 8.190 nan 0.000 0.426 208 E N 2.929 123.185 120.200 0.094 0.000 2.275 208 E HA 0.389 4.739 4.350 -0.000 0.000 0.270 208 E C -0.195 176.493 176.600 0.145 0.000 0.882 208 E CA -0.630 55.838 56.400 0.113 0.000 0.758 208 E CB 1.511 31.249 29.700 0.064 0.000 1.195 208 E HN 0.395 nan 8.360 nan 0.000 0.419 209 F N 4.626 124.597 119.950 0.035 0.000 2.325 209 F HA 0.230 4.757 4.527 -0.000 0.000 0.299 209 F C 0.116 175.935 175.800 0.031 0.000 1.090 209 F CA 0.648 58.674 58.000 0.044 0.000 1.392 209 F CB 0.112 39.154 39.000 0.070 0.000 1.053 209 F HN 0.458 nan 8.300 nan 0.000 0.521 210 L N -0.737 120.706 121.223 0.368 0.000 2.505 210 L HA 0.256 4.596 4.340 -0.000 0.000 0.226 210 L C 1.709 178.632 176.870 0.089 0.000 1.211 210 L CA 0.213 55.191 54.840 0.230 0.000 0.828 210 L CB -0.223 41.906 42.059 0.117 0.000 1.331 210 L HN 0.055 nan 8.230 nan 0.000 0.513 211 G N -1.570 107.306 108.800 0.126 0.000 3.605 211 G HA2 0.284 4.244 3.960 -0.000 0.000 0.277 211 G HA3 0.284 4.244 3.960 -0.000 0.000 0.277 211 G C -0.283 174.684 174.900 0.112 0.000 1.093 211 G CA 0.051 45.200 45.100 0.082 0.000 0.821 211 G HN 0.841 nan 8.290 nan 0.000 0.532 212 H N -3.034 116.014 119.070 -0.036 0.000 3.014 212 H HA 0.654 5.210 4.556 -0.000 0.000 0.337 212 H C -0.848 174.430 175.328 -0.084 0.000 1.320 212 H CA -1.054 54.942 56.048 -0.085 0.000 1.128 212 H CB 1.226 30.945 29.762 -0.071 0.000 1.862 212 H HN 0.209 nan 8.280 nan 0.000 0.536 213 V N -0.564 119.249 119.914 -0.168 0.000 2.966 213 V HA 0.982 5.102 4.120 -0.000 0.000 0.317 213 V C 0.750 176.880 176.094 0.059 0.000 1.070 213 V CA 0.085 62.282 62.300 -0.171 0.000 1.008 213 V CB 0.615 32.260 31.823 -0.298 0.000 1.070 213 V HN 1.834 nan 8.190 nan 0.000 0.457 214 G N 0.706 109.581 108.800 0.124 0.000 2.541 214 G HA2 0.390 4.350 3.960 -0.000 0.000 0.686 214 G HA3 0.390 4.350 3.960 -0.000 0.000 0.686 214 G C 0.106 175.137 174.900 0.218 0.000 1.286 214 G CA -0.060 45.191 45.100 0.252 0.000 0.894 214 G HN 1.626 nan 8.290 nan 0.000 0.575 215 G N -1.163 107.825 108.800 0.314 0.000 2.937 215 G HA2 0.599 4.559 3.960 -0.000 0.000 0.160 215 G HA3 0.599 4.559 3.960 -0.000 0.000 0.160 215 G C 0.365 175.427 174.900 0.269 0.000 1.863 215 G CA 1.459 46.722 45.100 0.272 0.000 0.941 215 G HN 1.871 nan 8.290 nan 0.000 0.419 216 V N -2.013 118.063 119.914 0.271 0.000 2.588 216 V HA 0.735 4.855 4.120 -0.000 0.000 0.304 216 V C 0.845 177.073 176.094 0.224 0.000 1.042 216 V CA 0.011 62.442 62.300 0.218 0.000 0.877 216 V CB 0.589 32.514 31.823 0.172 0.000 0.996 216 V HN 1.877 nan 8.190 nan 0.000 0.425 217 G N 3.508 112.365 108.800 0.095 0.000 2.195 217 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.224 217 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.224 217 G C 0.055 174.817 174.900 -0.230 0.000 0.990 217 G CA 0.090 45.233 45.100 0.071 0.000 0.639 217 G HN 1.063 nan 8.290 nan 0.000 0.514 218 I N 2.050 122.342 120.570 -0.463 0.000 2.618 218 I HA 0.409 4.579 4.170 -0.000 0.000 0.284 218 I C 0.662 176.339 176.117 -0.733 0.000 1.146 218 I CA -0.197 60.419 61.300 -1.141 0.000 1.425 218 I CB 0.479 37.995 38.000 -0.808 0.000 1.383 218 I HN 0.253 nan 8.210 nan 0.000 0.562 219 D N 5.374 125.268 120.400 -0.844 0.000 2.449 219 D HA -0.111 4.529 4.640 -0.000 0.000 0.236 219 D C 0.838 176.866 176.300 -0.454 0.000 1.149 219 D CA 0.177 53.775 54.000 -0.670 0.000 0.878 219 D CB 1.025 41.229 40.800 -0.994 0.000 1.198 219 D HN 0.624 nan 8.370 nan 0.000 0.446 220 M N 2.048 121.438 119.600 -0.349 0.000 2.236 220 M HA -0.007 4.473 4.480 -0.000 0.000 0.266 220 M C 1.660 177.849 176.300 -0.184 0.000 1.070 220 M CA 1.391 56.536 55.300 -0.259 0.000 1.137 220 M CB -0.206 32.263 32.600 -0.219 0.000 1.378 220 M HN 0.643 nan 8.290 nan 0.000 0.426 221 E N 0.071 120.160 120.200 -0.184 0.000 2.047 221 E HA -0.191 4.159 4.350 -0.000 0.000 0.191 221 E C 1.881 178.418 176.600 -0.105 0.000 0.987 221 E CA 1.727 58.053 56.400 -0.123 0.000 0.799 221 E CB -0.306 29.328 29.700 -0.110 0.000 0.752 221 E HN 0.709 nan 8.360 nan 0.000 0.449 222 I N -1.327 119.151 120.570 -0.153 0.000 2.614 222 I HA -0.115 4.055 4.170 -0.000 0.000 0.258 222 I C 2.403 178.506 176.117 -0.024 0.000 1.189 222 I CA 1.130 62.380 61.300 -0.083 0.000 1.462 222 I CB -0.185 37.752 38.000 -0.106 0.000 1.092 222 I HN -0.067 nan 8.210 nan 0.000 0.442 223 S N 1.400 117.057 115.700 -0.071 0.000 2.345 223 S HA -0.124 4.346 4.470 -0.000 0.000 0.219 223 S C 2.129 176.741 174.600 0.019 0.000 1.031 223 S CA 1.047 59.261 58.200 0.023 0.000 0.984 223 S CB -0.212 62.985 63.200 -0.006 0.000 0.874 223 S HN 0.365 nan 8.310 nan 0.000 0.451 224 K N 1.640 122.017 120.400 -0.038 0.000 2.103 224 K HA -0.005 4.315 4.320 -0.000 0.000 0.207 224 K C 1.890 178.467 176.600 -0.039 0.000 1.048 224 K CA 1.395 57.645 56.287 -0.061 0.000 0.930 224 K CB -0.980 31.485 32.500 -0.059 0.000 0.716 224 K HN 0.575 nan 8.250 nan 0.000 0.444 225 N N -0.403 118.301 118.700 0.005 0.000 2.270 225 N HA -0.115 4.625 4.740 -0.000 0.000 0.181 225 N C 1.632 177.201 175.510 0.099 0.000 1.016 225 N CA 0.328 53.400 53.050 0.036 0.000 0.870 225 N CB -0.117 38.392 38.487 0.037 0.000 0.979 225 N HN 0.021 nan 8.380 nan 0.000 0.431 226 F N 2.419 122.337 119.950 -0.053 0.000 2.084 226 F HA -0.138 4.389 4.527 -0.000 0.000 0.296 226 F C 2.582 178.332 175.800 -0.083 0.000 1.111 226 F CA 1.443 59.416 58.000 -0.045 0.000 1.224 226 F CB -0.760 38.219 39.000 -0.033 0.000 0.991 226 F HN -0.012 nan 8.300 nan 0.000 0.471 227 Q N -0.061 119.536 119.800 -0.338 0.000 2.152 227 Q HA -0.299 4.041 4.340 -0.000 0.000 0.206 227 Q C 2.381 178.189 176.000 -0.320 0.000 0.985 227 Q CA 1.930 57.396 55.803 -0.561 0.000 0.863 227 Q CB -0.204 28.194 28.738 -0.566 0.000 0.904 227 Q HN 0.277 nan 8.270 nan 0.000 0.422 228 R N 0.115 120.518 120.500 -0.161 0.000 2.073 228 R HA -0.128 4.212 4.340 -0.000 0.000 0.234 228 R C 2.171 178.456 176.300 -0.024 0.000 1.134 228 R CA 1.530 57.590 56.100 -0.066 0.000 0.952 228 R CB -0.369 29.915 30.300 -0.027 0.000 0.850 228 R HN 0.331 nan 8.270 nan 0.000 0.433 229 I N 0.809 121.372 120.570 -0.012 0.000 2.118 229 I HA -0.300 3.870 4.170 -0.000 0.000 0.241 229 I C 2.169 178.308 176.117 0.037 0.000 1.070 229 I CA 1.595 62.918 61.300 0.039 0.000 1.327 229 I CB -1.282 36.778 38.000 0.101 0.000 1.034 229 I HN 0.233 nan 8.210 nan 0.000 0.405 230 L N -0.107 121.083 121.223 -0.055 0.000 2.131 230 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 230 L C 2.601 179.583 176.870 0.187 0.000 1.092 230 L CA 1.129 56.006 54.840 0.061 0.000 0.759 230 L CB -0.721 41.298 42.059 -0.067 0.000 0.903 230 L HN 0.375 nan 8.230 nan 0.000 0.435 231 Q N 0.077 119.963 119.800 0.144 0.000 2.167 231 Q HA -0.197 4.143 4.340 -0.000 0.000 0.202 231 Q C 2.101 178.174 176.000 0.121 0.000 0.970 231 Q CA 1.083 56.991 55.803 0.174 0.000 0.855 231 Q CB -0.042 28.778 28.738 0.137 0.000 0.911 231 Q HN 0.247 nan 8.270 nan 0.000 0.438 232 K N 0.963 121.420 120.400 0.094 0.000 2.209 232 K HA -0.135 4.185 4.320 -0.000 0.000 0.204 232 K C 1.742 178.403 176.600 0.101 0.000 1.048 232 K CA 1.200 57.540 56.287 0.088 0.000 0.940 232 K CB 0.087 32.637 32.500 0.084 0.000 0.729 232 K HN 0.209 nan 8.250 nan 0.000 0.451 233 Q N -2.045 117.824 119.800 0.115 0.000 2.398 233 Q HA 0.116 4.456 4.340 -0.000 0.000 0.204 233 Q C 0.763 176.805 176.000 0.070 0.000 0.932 233 Q CA 0.780 56.642 55.803 0.098 0.000 0.916 233 Q CB 0.721 29.516 28.738 0.095 0.000 1.024 233 Q HN 0.487 nan 8.270 nan 0.000 0.504 234 G N -0.026 108.832 108.800 0.097 0.000 2.367 234 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.181 234 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.181 234 G C -0.260 174.685 174.900 0.075 0.000 1.000 234 G CA -0.656 44.481 45.100 0.062 0.000 0.693 234 G HN 0.246 nan 8.290 nan 0.000 0.480 235 F N 3.343 123.257 119.950 -0.059 0.000 2.546 235 F HA 0.530 5.057 4.527 -0.000 0.000 0.388 235 F C 0.789 176.444 175.800 -0.242 0.000 1.051 235 F CA -0.364 57.531 58.000 -0.175 0.000 1.130 235 F CB 0.375 39.291 39.000 -0.140 0.000 1.044 235 F HN -0.013 nan 8.300 nan 0.000 0.553 236 K N 5.373 125.813 120.400 0.068 0.000 2.098 236 K HA 0.553 4.873 4.320 -0.000 0.000 0.261 236 K C -0.972 175.388 176.600 -0.400 0.000 0.987 236 K CA -0.129 56.133 56.287 -0.042 0.000 0.916 236 K CB 0.798 33.297 32.500 -0.002 0.000 1.039 236 K HN 0.287 nan 8.250 nan 0.000 0.455 237 F N 0.258 120.213 119.950 0.008 0.000 2.618 237 F HA 0.519 5.046 4.527 -0.000 0.000 0.332 237 F C -0.152 175.634 175.800 -0.023 0.000 1.061 237 F CA -1.000 56.977 58.000 -0.039 0.000 0.974 237 F CB 1.668 40.592 39.000 -0.126 0.000 1.310 237 F HN 0.092 nan 8.300 nan 0.000 0.491 238 K N 1.828 122.342 120.400 0.190 0.000 2.814 238 K HA 0.435 4.755 4.320 -0.000 0.000 0.205 238 K C -1.121 175.523 176.600 0.074 0.000 1.093 238 K CA 0.037 56.380 56.287 0.093 0.000 1.035 238 K CB 0.529 33.057 32.500 0.047 0.000 1.220 238 K HN 0.451 nan 8.250 nan 0.000 0.576 239 L N 1.251 122.506 121.223 0.054 0.000 2.476 239 L HA 0.199 4.539 4.340 -0.000 0.000 0.255 239 L C 0.406 177.259 176.870 -0.028 0.000 1.218 239 L CA -0.273 54.571 54.840 0.007 0.000 0.819 239 L CB 0.184 42.225 42.059 -0.029 0.000 1.119 239 L HN 0.730 nan 8.230 nan 0.000 0.485 240 N N -0.994 117.671 118.700 -0.058 0.000 2.710 240 N HA -0.189 4.551 4.740 -0.000 0.000 0.249 240 N C -0.644 174.736 175.510 -0.217 0.000 1.059 240 N CA 1.053 54.010 53.050 -0.154 0.000 0.720 240 N CB -0.946 37.473 38.487 -0.113 0.000 0.983 240 N HN 0.822 nan 8.380 nan 0.000 0.544 241 T N -2.787 111.661 114.554 -0.177 0.000 2.906 241 T HA 0.651 5.001 4.350 -0.000 0.000 0.295 241 T C -0.546 174.097 174.700 -0.094 0.000 1.061 241 T CA -1.097 60.918 62.100 -0.142 0.000 1.000 241 T CB 2.656 71.494 68.868 -0.050 0.000 1.103 241 T HN 0.303 nan 8.240 nan 0.000 0.486 242 K N 0.315 120.688 120.400 -0.044 0.000 2.350 242 K HA 0.807 5.127 4.320 -0.000 0.000 0.241 242 K C -0.599 176.074 176.600 0.123 0.000 0.994 242 K CA -1.143 55.230 56.287 0.143 0.000 0.839 242 K CB 2.155 34.789 32.500 0.225 0.000 1.244 242 K HN 0.652 nan 8.250 nan 0.000 0.443 243 V N -0.489 119.536 119.914 0.185 0.000 2.483 243 V HA 0.308 4.428 4.120 -0.000 0.000 0.295 243 V C 0.666 176.886 176.094 0.210 0.000 1.035 243 V CA 0.005 62.375 62.300 0.116 0.000 0.896 243 V CB 1.234 33.025 31.823 -0.054 0.000 0.986 243 V HN 1.039 nan 8.190 nan 0.000 0.447 244 T N 1.560 116.197 114.554 0.137 0.000 3.081 244 T HA 0.561 4.911 4.350 -0.000 0.000 0.255 244 T C 0.993 175.790 174.700 0.161 0.000 1.113 244 T CA 0.559 62.745 62.100 0.144 0.000 1.082 244 T CB -0.352 68.568 68.868 0.087 0.000 0.939 244 T HN 2.205 nan 8.240 nan 0.000 0.506 245 G N -0.073 108.813 108.800 0.144 0.000 2.340 245 G HA2 0.509 4.469 3.960 -0.000 0.000 0.527 245 G HA3 0.509 4.469 3.960 -0.000 0.000 0.527 245 G C -1.315 173.619 174.900 0.055 0.000 1.381 245 G CA -0.523 44.660 45.100 0.137 0.000 1.001 245 G HN 0.934 nan 8.290 nan 0.000 0.626 246 A N -0.956 121.893 122.820 0.048 0.000 2.556 246 A HA 1.097 5.417 4.320 -0.000 0.000 0.294 246 A C -0.147 177.449 177.584 0.020 0.000 1.091 246 A CA 0.313 52.358 52.037 0.013 0.000 0.704 246 A CB 2.100 21.090 19.000 -0.018 0.000 1.300 246 A HN 2.513 nan 8.150 nan 0.000 0.406 247 T N 0.065 114.623 114.554 0.007 0.000 3.105 247 T HA 0.519 4.869 4.350 -0.000 0.000 0.321 247 T C -1.152 173.547 174.700 -0.002 0.000 1.135 247 T CA -0.622 61.483 62.100 0.008 0.000 1.053 247 T CB 0.839 69.713 68.868 0.011 0.000 1.133 247 T HN 0.668 nan 8.240 nan 0.000 0.463 248 K N 3.256 123.654 120.400 -0.003 0.000 2.185 248 K HA 0.513 4.833 4.320 -0.000 0.000 0.271 248 K C 0.226 176.820 176.600 -0.009 0.000 1.013 248 K CA -0.916 55.365 56.287 -0.010 0.000 0.943 248 K CB 0.955 33.449 32.500 -0.010 0.000 0.998 248 K HN 0.460 nan 8.250 nan 0.000 0.468 249 K N 0.428 120.820 120.400 -0.014 0.000 2.185 249 K HA 0.109 4.429 4.320 -0.000 0.000 0.240 249 K C 1.246 177.838 176.600 -0.013 0.000 0.983 249 K CA -0.320 55.959 56.287 -0.012 0.000 0.873 249 K CB 1.713 34.204 32.500 -0.015 0.000 1.118 249 K HN 0.714 nan 8.250 nan 0.000 0.441 250 S N 0.098 115.792 115.700 -0.011 0.000 2.400 250 S HA -0.174 4.296 4.470 -0.000 0.000 0.232 250 S C 1.020 175.612 174.600 -0.013 0.000 1.025 250 S CA 1.936 60.130 58.200 -0.010 0.000 0.993 250 S CB -0.309 62.886 63.200 -0.008 0.000 0.808 250 S HN 0.714 nan 8.310 nan 0.000 0.478 251 D N -0.564 119.827 120.400 -0.015 0.000 2.349 251 D HA 0.364 5.004 4.640 -0.000 0.000 0.214 251 D C 1.406 177.692 176.300 -0.022 0.000 1.063 251 D CA 0.572 54.561 54.000 -0.018 0.000 0.847 251 D CB -0.168 40.621 40.800 -0.018 0.000 0.933 251 D HN 0.600 nan 8.370 nan 0.000 0.513 252 G N 0.057 108.843 108.800 -0.023 0.000 2.313 252 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.215 252 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.215 252 G C 0.519 175.399 174.900 -0.034 0.000 1.023 252 G CA -0.090 44.993 45.100 -0.029 0.000 0.626 252 G HN 0.319 nan 8.290 nan 0.000 0.503 253 K N 0.541 120.920 120.400 -0.034 0.000 2.218 253 K HA 0.389 4.709 4.320 -0.000 0.000 0.250 253 K C 0.434 177.014 176.600 -0.034 0.000 1.024 253 K CA 0.492 56.756 56.287 -0.038 0.000 0.842 253 K CB 0.371 32.850 32.500 -0.035 0.000 1.041 253 K HN 0.458 nan 8.250 nan 0.000 0.522 254 I N 1.173 121.721 120.570 -0.037 0.000 2.512 254 I HA 0.096 4.266 4.170 -0.000 0.000 0.287 254 I C -1.020 175.078 176.117 -0.031 0.000 1.069 254 I CA -0.847 60.433 61.300 -0.033 0.000 1.056 254 I CB 2.093 40.068 38.000 -0.042 0.000 1.229 254 I HN 0.308 nan 8.210 nan 0.000 0.429 255 D N 5.339 125.725 120.400 -0.023 0.000 2.347 255 D HA 0.280 4.920 4.640 -0.000 0.000 0.235 255 D C -0.354 175.934 176.300 -0.020 0.000 1.149 255 D CA 0.086 54.074 54.000 -0.019 0.000 0.850 255 D CB 1.984 42.777 40.800 -0.011 0.000 1.061 255 D HN 0.290 nan 8.370 nan 0.000 0.487 256 V N 1.453 121.351 119.914 -0.027 0.000 2.370 256 V HA 0.499 4.619 4.120 -0.000 0.000 0.283 256 V C -0.036 176.046 176.094 -0.018 0.000 1.023 256 V CA -0.460 61.822 62.300 -0.031 0.000 0.857 256 V CB 1.624 33.411 31.823 -0.060 0.000 0.985 256 V HN 0.329 nan 8.190 nan 0.000 0.443 257 S N 7.165 122.863 115.700 -0.004 0.000 2.499 257 S HA 0.657 5.127 4.470 -0.000 0.000 0.275 257 S C -0.044 174.563 174.600 0.012 0.000 1.257 257 S CA -0.331 57.874 58.200 0.009 0.000 1.050 257 S CB 0.226 63.440 63.200 0.024 0.000 0.937 257 S HN 0.923 nan 8.310 nan 0.000 0.490 258 I N 0.806 121.381 120.570 0.009 0.000 3.170 258 I HA 0.853 5.023 4.170 -0.000 0.000 0.312 258 I C -0.421 175.703 176.117 0.013 0.000 1.085 258 I CA -0.957 60.350 61.300 0.012 0.000 0.999 258 I CB 1.954 39.954 38.000 -0.000 0.000 1.233 258 I HN 0.431 nan 8.210 nan 0.000 0.467 259 E N 0.967 121.172 120.200 0.008 0.000 2.412 259 E HA 0.699 5.049 4.350 -0.000 0.000 0.279 259 E C -1.266 175.312 176.600 -0.036 0.000 0.984 259 E CA -1.112 55.285 56.400 -0.005 0.000 0.788 259 E CB 2.294 31.999 29.700 0.009 0.000 1.277 259 E HN 0.943 nan 8.360 nan 0.000 0.455 260 A N 1.155 123.947 122.820 -0.047 0.000 2.445 260 A HA 0.445 4.765 4.320 -0.000 0.000 0.242 260 A C 0.979 178.481 177.584 -0.137 0.000 1.075 260 A CA 0.783 52.768 52.037 -0.086 0.000 0.777 260 A CB 0.501 19.461 19.000 -0.067 0.000 1.013 260 A HN 0.747 nan 8.150 nan 0.000 0.493 261 A N 1.611 124.273 122.820 -0.264 0.000 1.877 261 A HA -0.045 4.275 4.320 -0.000 0.000 0.216 261 A C 2.399 179.837 177.584 -0.244 0.000 1.186 261 A CA 2.434 54.190 52.037 -0.467 0.000 0.620 261 A CB -1.066 17.340 19.000 -0.990 0.000 0.822 261 A HN 1.429 nan 8.150 nan 0.000 0.443 262 S N -0.247 115.353 115.700 -0.166 0.000 2.294 262 S HA 0.321 4.791 4.470 -0.000 0.000 0.203 262 S C 1.634 176.210 174.600 -0.040 0.000 1.022 262 S CA 0.497 58.654 58.200 -0.071 0.000 0.955 262 S CB -1.558 61.609 63.200 -0.054 0.000 0.943 262 S HN 0.800 nan 8.310 nan 0.000 0.472 263 G N 0.684 109.461 108.800 -0.039 0.000 2.443 263 G HA2 0.413 4.373 3.960 -0.000 0.000 0.286 263 G HA3 0.413 4.373 3.960 -0.000 0.000 0.286 263 G C 0.180 175.068 174.900 -0.020 0.000 1.393 263 G CA -0.159 44.928 45.100 -0.023 0.000 1.080 263 G HN 1.044 nan 8.290 nan 0.000 0.566 264 G N -0.323 108.470 108.800 -0.012 0.000 3.712 264 G HA2 0.481 4.441 3.960 -0.000 0.000 0.327 264 G HA3 0.481 4.441 3.960 -0.000 0.000 0.327 264 G C -0.541 174.355 174.900 -0.006 0.000 1.566 264 G CA -0.503 44.593 45.100 -0.006 0.000 0.953 264 G HN 0.247 nan 8.290 nan 0.000 0.488 265 K N 1.865 122.259 120.400 -0.011 0.000 2.296 265 K HA 0.558 4.878 4.320 -0.000 0.000 0.257 265 K C 0.634 177.231 176.600 -0.004 0.000 1.088 265 K CA -0.670 55.613 56.287 -0.007 0.000 0.980 265 K CB 1.167 33.661 32.500 -0.010 0.000 1.430 265 K HN 0.528 nan 8.250 nan 0.000 0.441 266 A N 2.381 125.201 122.820 0.000 0.000 2.466 266 A HA 0.271 4.591 4.320 -0.000 0.000 0.238 266 A C -0.082 177.503 177.584 0.002 0.000 1.074 266 A CA 0.321 52.360 52.037 0.004 0.000 0.774 266 A CB 0.239 19.243 19.000 0.007 0.000 1.015 266 A HN 0.708 nan 8.150 nan 0.000 0.498 267 E N -0.322 119.880 120.200 0.003 0.000 2.431 267 E HA 0.438 4.788 4.350 -0.000 0.000 0.287 267 E C -1.932 174.668 176.600 0.000 0.000 1.032 267 E CA -0.523 55.877 56.400 0.000 0.000 0.839 267 E CB 1.972 31.671 29.700 -0.002 0.000 1.218 267 E HN 0.481 nan 8.360 nan 0.000 0.424 268 V N 3.854 123.767 119.914 -0.002 0.000 2.555 268 V HA 0.593 4.713 4.120 -0.000 0.000 0.302 268 V C -0.201 175.888 176.094 -0.010 0.000 1.038 268 V CA -0.619 61.679 62.300 -0.005 0.000 0.887 268 V CB 1.659 33.479 31.823 -0.004 0.000 0.991 268 V HN 0.568 nan 8.190 nan 0.000 0.434 269 I N 3.022 123.583 120.570 -0.015 0.000 2.478 269 I HA 0.400 4.570 4.170 -0.000 0.000 0.287 269 I C -0.183 175.918 176.117 -0.026 0.000 1.042 269 I CA -0.118 61.170 61.300 -0.020 0.000 1.067 269 I CB 2.369 40.356 38.000 -0.021 0.000 1.233 269 I HN 0.745 nan 8.210 nan 0.000 0.431 270 T N 5.562 120.100 114.554 -0.026 0.000 2.895 270 T HA 0.736 5.086 4.350 -0.000 0.000 0.283 270 T C -0.378 174.299 174.700 -0.039 0.000 1.014 270 T CA -0.345 61.737 62.100 -0.030 0.000 1.037 270 T CB 0.907 69.760 68.868 -0.025 0.000 1.006 270 T HN 0.824 nan 8.240 nan 0.000 0.468 271 C N 2.171 121.443 119.300 -0.046 0.000 3.336 271 C HA 0.687 5.147 4.460 -0.000 0.000 0.339 271 C C 0.597 175.548 174.990 -0.065 0.000 1.468 271 C CA -0.651 58.332 59.018 -0.058 0.000 1.287 271 C CB 0.559 28.259 27.740 -0.067 0.000 1.682 271 C HN 0.817 nan 8.230 nan 0.000 0.451 272 D N -0.450 119.900 120.400 -0.082 0.000 2.394 272 D HA 0.314 4.954 4.640 -0.000 0.000 0.226 272 D C -0.071 176.163 176.300 -0.110 0.000 0.990 272 D CA 0.792 54.737 54.000 -0.092 0.000 0.902 272 D CB 0.612 41.350 40.800 -0.104 0.000 1.038 272 D HN 0.442 nan 8.370 nan 0.000 0.499 273 V N 1.276 121.112 119.914 -0.129 0.000 2.686 273 V HA 0.367 4.487 4.120 -0.000 0.000 0.306 273 V C -1.441 174.584 176.094 -0.115 0.000 1.065 273 V CA -0.957 61.258 62.300 -0.140 0.000 0.894 273 V CB 2.497 34.192 31.823 -0.213 0.000 1.004 273 V HN -0.020 nan 8.190 nan 0.000 0.424 274 L N 5.894 127.062 121.223 -0.093 0.000 2.276 274 L HA 0.587 4.927 4.340 -0.000 0.000 0.286 274 L C -0.741 176.089 176.870 -0.066 0.000 1.024 274 L CA 0.098 54.891 54.840 -0.078 0.000 0.826 274 L CB 1.074 43.090 42.059 -0.072 0.000 1.211 274 L HN 0.661 nan 8.230 nan 0.000 0.422 275 L N 6.409 127.601 121.223 -0.052 0.000 2.264 275 L HA 0.498 4.838 4.340 -0.000 0.000 0.289 275 L C -0.948 175.914 176.870 -0.012 0.000 1.044 275 L CA -0.630 54.197 54.840 -0.022 0.000 0.807 275 L CB 1.425 43.489 42.059 0.009 0.000 1.192 275 L HN 0.426 nan 8.230 nan 0.000 0.425 276 V N 4.947 124.860 119.914 -0.002 0.000 2.383 276 V HA 0.249 4.369 4.120 -0.000 0.000 0.275 276 V C -0.024 176.099 176.094 0.048 0.000 1.036 276 V CA -0.387 61.917 62.300 0.008 0.000 0.889 276 V CB 0.932 32.771 31.823 0.026 0.000 0.985 276 V HN 0.976 nan 8.190 nan 0.000 0.459 277 C N 3.769 123.104 119.300 0.059 0.000 3.355 277 C HA 0.447 4.907 4.460 -0.000 0.000 0.287 277 C C 0.708 175.755 174.990 0.094 0.000 1.036 277 C CA -0.840 58.227 59.018 0.081 0.000 1.246 277 C CB -1.409 26.380 27.740 0.082 0.000 1.754 277 C HN 0.805 nan 8.230 nan 0.000 0.592 278 I N 0.037 120.677 120.570 0.118 0.000 3.419 278 I HA 0.615 4.785 4.170 -0.000 0.000 0.286 278 I C 0.995 177.174 176.117 0.104 0.000 1.268 278 I CA 0.942 62.318 61.300 0.126 0.000 1.414 278 I CB -0.255 37.856 38.000 0.185 0.000 1.074 278 I HN 0.845 nan 8.210 nan 0.000 0.457 279 G N -0.003 108.855 108.800 0.098 0.000 2.547 279 G HA2 0.680 4.640 3.960 -0.000 0.000 0.291 279 G HA3 0.680 4.640 3.960 -0.000 0.000 0.291 279 G C -1.795 173.150 174.900 0.075 0.000 1.471 279 G CA -0.943 44.206 45.100 0.083 0.000 0.798 279 G HN -0.028 nan 8.290 nan 0.000 0.504 280 R N -0.609 119.933 120.500 0.069 0.000 2.670 280 R HA 0.837 5.177 4.340 -0.000 0.000 0.289 280 R C -0.025 176.316 176.300 0.069 0.000 0.965 280 R CA -0.858 55.281 56.100 0.065 0.000 0.899 280 R CB 1.646 31.982 30.300 0.059 0.000 1.173 280 R HN 0.872 nan 8.270 nan 0.000 0.456 281 R N 1.385 121.931 120.500 0.078 0.000 2.774 281 R HA 0.674 5.014 4.340 -0.000 0.000 0.272 281 R C -2.773 173.597 176.300 0.116 0.000 1.000 281 R CA -2.269 53.883 56.100 0.087 0.000 0.906 281 R CB 1.291 31.641 30.300 0.083 0.000 1.227 281 R HN 0.313 nan 8.270 nan 0.000 0.468 282 P HA 0.077 nan 4.420 nan 0.000 0.276 282 P C -1.433 175.981 177.300 0.190 0.000 1.235 282 P CA -0.150 63.033 63.100 0.139 0.000 0.772 282 P CB 0.295 32.054 31.700 0.099 0.000 0.871 283 F N 3.706 123.686 119.950 0.050 0.000 2.361 283 F HA 0.335 4.862 4.527 -0.000 0.000 0.364 283 F C 0.592 176.433 175.800 0.068 0.000 1.117 283 F CA -0.073 57.962 58.000 0.057 0.000 1.071 283 F CB 0.787 39.819 39.000 0.053 0.000 1.188 283 F HN 0.243 nan 8.300 nan 0.000 0.464 284 T N 0.824 115.204 114.554 -0.290 0.000 3.043 284 T HA 0.218 4.568 4.350 -0.000 0.000 0.272 284 T C 0.399 174.865 174.700 -0.390 0.000 0.990 284 T CA -0.483 61.467 62.100 -0.249 0.000 0.897 284 T CB -0.217 68.597 68.868 -0.091 0.000 1.111 284 T HN 0.139 nan 8.240 nan 0.000 0.529 285 K N 3.721 123.704 120.400 -0.695 0.000 2.543 285 K HA 0.033 4.353 4.320 -0.000 0.000 0.279 285 K C 0.629 177.075 176.600 -0.256 0.000 1.001 285 K CA 0.217 56.242 56.287 -0.437 0.000 1.088 285 K CB -0.426 31.820 32.500 -0.423 0.000 0.863 285 K HN 0.324 nan 8.250 nan 0.000 0.488 286 N N 1.687 120.278 118.700 -0.181 0.000 2.714 286 N HA -0.253 4.487 4.740 -0.000 0.000 0.252 286 N C 0.088 175.485 175.510 -0.188 0.000 1.014 286 N CA 0.430 53.363 53.050 -0.196 0.000 0.735 286 N CB -0.738 37.579 38.487 -0.284 0.000 0.924 286 N HN 0.321 nan 8.380 nan 0.000 0.540 287 L N -0.362 120.795 121.223 -0.110 0.000 2.638 287 L HA 0.292 4.632 4.340 -0.000 0.000 0.232 287 L C 1.242 178.082 176.870 -0.049 0.000 1.099 287 L CA 1.420 56.229 54.840 -0.052 0.000 0.883 287 L CB -0.156 41.889 42.059 -0.023 0.000 1.136 287 L HN 0.461 nan 8.230 nan 0.000 0.492 288 G N 0.985 109.746 108.800 -0.065 0.000 2.387 288 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.270 288 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.270 288 G C 0.445 175.326 174.900 -0.032 0.000 0.957 288 G CA 0.655 45.725 45.100 -0.051 0.000 1.352 288 G HN 0.372 nan 8.290 nan 0.000 0.457 289 L N -0.378 120.827 121.223 -0.030 0.000 2.640 289 L HA 0.229 4.569 4.340 -0.000 0.000 0.230 289 L C 2.202 179.061 176.870 -0.019 0.000 1.123 289 L CA 0.575 55.404 54.840 -0.018 0.000 0.900 289 L CB 0.067 42.119 42.059 -0.012 0.000 1.146 289 L HN 0.560 nan 8.230 nan 0.000 0.484 290 E N 0.530 120.716 120.200 -0.024 0.000 2.075 290 E HA -0.180 4.170 4.350 -0.000 0.000 0.190 290 E C 1.766 178.355 176.600 -0.020 0.000 0.969 290 E CA 0.727 57.114 56.400 -0.021 0.000 0.815 290 E CB -0.130 29.556 29.700 -0.024 0.000 0.776 290 E HN 0.404 nan 8.360 nan 0.000 0.457 291 E N 1.686 121.872 120.200 -0.022 0.000 2.273 291 E HA -0.225 4.125 4.350 -0.000 0.000 0.198 291 E C 1.730 178.320 176.600 -0.017 0.000 1.002 291 E CA 0.961 57.348 56.400 -0.020 0.000 0.828 291 E CB -0.014 29.672 29.700 -0.023 0.000 0.747 291 E HN 0.330 nan 8.360 nan 0.000 0.491 292 L N -0.675 120.539 121.223 -0.016 0.000 2.590 292 L HA 0.211 4.551 4.340 -0.000 0.000 0.227 292 L C 1.340 178.202 176.870 -0.013 0.000 1.099 292 L CA 0.523 55.355 54.840 -0.013 0.000 0.872 292 L CB 0.371 42.423 42.059 -0.010 0.000 1.088 292 L HN 0.458 nan 8.230 nan 0.000 0.479 293 G N 1.349 110.140 108.800 -0.014 0.000 2.143 293 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.249 293 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.249 293 G C 0.272 175.164 174.900 -0.013 0.000 0.981 293 G CA 0.159 45.251 45.100 -0.013 0.000 0.665 293 G HN 0.351 nan 8.290 nan 0.000 0.528 294 I N -0.167 120.396 120.570 -0.011 0.000 2.395 294 I HA 0.586 4.756 4.170 -0.000 0.000 0.289 294 I C 0.369 176.482 176.117 -0.007 0.000 1.023 294 I CA -0.631 60.664 61.300 -0.009 0.000 1.350 294 I CB 1.422 39.419 38.000 -0.004 0.000 1.409 294 I HN 0.120 nan 8.210 nan 0.000 0.507 295 E N 6.100 126.297 120.200 -0.006 0.000 2.133 295 E HA 0.482 4.832 4.350 -0.000 0.000 0.274 295 E C -1.062 175.537 176.600 -0.001 0.000 0.930 295 E CA -0.657 55.739 56.400 -0.006 0.000 0.770 295 E CB 1.295 30.991 29.700 -0.008 0.000 1.104 295 E HN 0.529 nan 8.360 nan 0.000 0.403 296 L N 3.386 124.608 121.223 -0.001 0.000 2.439 296 L HA 0.190 4.530 4.340 -0.000 0.000 0.269 296 L C 0.554 177.428 176.870 0.006 0.000 1.179 296 L CA -0.363 54.480 54.840 0.005 0.000 0.828 296 L CB 0.494 42.554 42.059 0.003 0.000 1.106 296 L HN 0.647 nan 8.230 nan 0.000 0.467 297 D N 3.257 123.665 120.400 0.012 0.000 2.461 297 D HA -0.076 4.564 4.640 -0.000 0.000 0.231 297 D C -1.196 175.110 176.300 0.011 0.000 1.208 297 D CA -0.469 53.539 54.000 0.014 0.000 0.879 297 D CB 0.630 41.444 40.800 0.023 0.000 1.220 297 D HN 0.330 nan 8.370 nan 0.000 0.480 298 P HA -0.186 nan 4.420 nan 0.000 0.218 298 P C 0.446 177.752 177.300 0.011 0.000 1.146 298 P CA 1.360 64.464 63.100 0.007 0.000 0.820 298 P CB -0.005 31.699 31.700 0.006 0.000 0.778 299 R N -1.813 118.697 120.500 0.018 0.000 2.509 299 R HA 0.401 4.741 4.340 -0.000 0.000 0.300 299 R C 1.146 177.465 176.300 0.031 0.000 0.985 299 R CA 0.564 56.678 56.100 0.023 0.000 1.092 299 R CB -0.567 29.750 30.300 0.028 0.000 1.237 299 R HN 0.189 nan 8.270 nan 0.000 0.546 300 G N 1.564 110.380 108.800 0.027 0.000 2.179 300 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.220 300 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.220 300 G C -0.022 174.901 174.900 0.037 0.000 0.990 300 G CA -0.332 44.785 45.100 0.029 0.000 0.646 300 G HN 0.329 nan 8.290 nan 0.000 0.517 301 R N -0.417 120.108 120.500 0.041 0.000 2.549 301 R HA 0.715 5.054 4.340 -0.000 0.000 0.267 301 R C 0.077 176.403 176.300 0.045 0.000 1.045 301 R CA -0.589 55.542 56.100 0.052 0.000 1.115 301 R CB 1.003 31.338 30.300 0.058 0.000 1.121 301 R HN 0.226 nan 8.270 nan 0.000 0.543 302 I N 2.757 123.361 120.570 0.057 0.000 2.312 302 I HA 0.240 4.410 4.170 -0.000 0.000 0.290 302 I C -2.099 174.047 176.117 0.048 0.000 1.008 302 I CA -2.484 58.846 61.300 0.050 0.000 1.226 302 I CB 1.681 39.719 38.000 0.065 0.000 1.371 302 I HN 0.198 nan 8.210 nan 0.000 0.468 303 P HA 0.114 nan 4.420 nan 0.000 0.267 303 P C -0.759 176.546 177.300 0.007 0.000 1.205 303 P CA -0.045 63.060 63.100 0.010 0.000 0.765 303 P CB 0.727 32.425 31.700 -0.003 0.000 0.828 304 V N 0.761 120.669 119.914 -0.010 0.000 3.159 304 V HA 0.618 4.738 4.120 -0.000 0.000 0.308 304 V C -0.435 175.598 176.094 -0.101 0.000 1.190 304 V CA -1.142 61.144 62.300 -0.023 0.000 1.037 304 V CB 1.977 33.835 31.823 0.058 0.000 1.060 304 V HN 0.642 nan 8.190 nan 0.000 0.437 305 N N 0.094 118.725 118.700 -0.116 0.000 2.566 305 N HA 0.338 5.078 4.740 -0.000 0.000 0.299 305 N C 0.687 176.041 175.510 -0.259 0.000 1.277 305 N CA -0.055 52.905 53.050 -0.149 0.000 0.965 305 N CB 1.073 39.504 38.487 -0.093 0.000 1.142 305 N HN 0.617 nan 8.380 nan 0.000 0.596 306 T N -0.259 114.173 114.554 -0.202 0.000 2.759 306 T HA -0.099 4.251 4.350 -0.000 0.000 0.269 306 T C 1.396 176.015 174.700 -0.136 0.000 1.042 306 T CA 1.117 63.087 62.100 -0.217 0.000 1.140 306 T CB -0.286 68.528 68.868 -0.091 0.000 0.864 306 T HN 0.403 nan 8.240 nan 0.000 0.455 307 R N 0.065 120.570 120.500 0.009 0.000 2.313 307 R HA 0.169 4.509 4.340 -0.000 0.000 0.199 307 R C 0.135 176.726 176.300 0.486 0.000 0.958 307 R CA 0.105 56.343 56.100 0.229 0.000 1.047 307 R CB -0.570 29.855 30.300 0.209 0.000 0.955 307 R HN 0.418 nan 8.270 nan 0.000 0.481 308 F N 1.121 121.172 119.950 0.169 0.000 2.893 308 F HA -0.251 4.276 4.527 -0.000 0.000 0.287 308 F C -0.036 175.881 175.800 0.195 0.000 0.766 308 F CA 0.631 58.755 58.000 0.207 0.000 1.362 308 F CB -1.895 37.251 39.000 0.244 0.000 1.518 308 F HN 0.205 nan 8.300 nan 0.000 0.417 309 Q N -0.343 119.490 119.800 0.054 0.000 2.274 309 Q HA 0.661 5.001 4.340 -0.000 0.000 0.260 309 Q C 0.651 176.579 176.000 -0.120 0.000 0.974 309 Q CA -0.327 55.316 55.803 -0.266 0.000 0.876 309 Q CB 2.300 30.667 28.738 -0.619 0.000 1.297 309 Q HN 0.267 nan 8.270 nan 0.000 0.446 310 T N -0.632 113.867 114.554 -0.092 0.000 3.141 310 T HA 0.055 4.405 4.350 -0.000 0.000 0.391 310 T C 1.104 175.766 174.700 -0.064 0.000 1.170 310 T CA -0.157 61.916 62.100 -0.044 0.000 1.054 310 T CB 0.251 69.110 68.868 -0.015 0.000 1.487 310 T HN 0.564 nan 8.240 nan 0.000 0.530 311 K N -0.208 120.166 120.400 -0.043 0.000 2.211 311 K HA 0.121 4.441 4.320 -0.000 0.000 0.203 311 K C 0.728 177.296 176.600 -0.053 0.000 1.050 311 K CA 0.696 56.957 56.287 -0.043 0.000 0.945 311 K CB -0.405 32.078 32.500 -0.029 0.000 0.732 311 K HN 0.560 nan 8.250 nan 0.000 0.451 312 I N 2.508 123.044 120.570 -0.057 0.000 2.301 312 I HA 0.041 4.211 4.170 -0.000 0.000 0.292 312 I C -1.676 174.378 176.117 -0.105 0.000 1.046 312 I CA -2.016 59.248 61.300 -0.060 0.000 1.282 312 I CB 1.374 39.351 38.000 -0.039 0.000 1.409 312 I HN -0.142 nan 8.210 nan 0.000 0.484 313 P HA -0.229 nan 4.420 nan 0.000 0.218 313 P C 1.120 178.282 177.300 -0.229 0.000 1.154 313 P CA 1.401 64.407 63.100 -0.157 0.000 0.872 313 P CB -0.067 31.582 31.700 -0.085 0.000 0.790 314 N N -0.625 118.010 118.700 -0.109 0.000 2.457 314 N HA -0.075 4.665 4.740 -0.000 0.000 0.180 314 N C 0.479 176.010 175.510 0.035 0.000 1.050 314 N CA 0.544 53.586 53.050 -0.013 0.000 0.906 314 N CB -0.499 38.012 38.487 0.040 0.000 0.968 314 N HN 0.178 nan 8.380 nan 0.000 0.445 315 I N 2.121 122.660 120.570 -0.051 0.000 2.301 315 I HA 0.145 4.315 4.170 -0.000 0.000 0.292 315 I C -0.531 175.605 176.117 0.033 0.000 1.046 315 I CA -0.513 60.819 61.300 0.053 0.000 1.282 315 I CB 0.235 38.252 38.000 0.029 0.000 1.409 315 I HN -0.081 nan 8.210 nan 0.000 0.484 316 Y N 5.013 125.353 120.300 0.068 0.000 2.596 316 Y HA 0.776 5.326 4.550 -0.000 0.000 0.326 316 Y C 0.343 176.302 175.900 0.097 0.000 1.167 316 Y CA -1.377 56.783 58.100 0.100 0.000 1.246 316 Y CB 1.259 39.791 38.460 0.119 0.000 1.347 316 Y HN 0.498 nan 8.280 nan 0.000 0.515 317 A N 1.129 124.141 122.820 0.319 0.000 2.465 317 A HA 0.779 5.099 4.320 -0.000 0.000 0.292 317 A C -1.406 176.322 177.584 0.240 0.000 1.041 317 A CA -0.497 51.671 52.037 0.218 0.000 0.718 317 A CB 0.543 19.648 19.000 0.176 0.000 1.266 317 A HN 0.690 nan 8.150 nan 0.000 0.403 318 I N -0.624 120.018 120.570 0.121 0.000 3.239 318 I HA 1.032 5.202 4.170 -0.000 0.000 0.314 318 I C 0.578 176.723 176.117 0.047 0.000 1.126 318 I CA -0.149 61.185 61.300 0.057 0.000 0.973 318 I CB 1.609 39.510 38.000 -0.166 0.000 1.252 318 I HN 2.095 nan 8.210 nan 0.000 0.463 319 G N 2.079 110.890 108.800 0.020 0.000 2.500 319 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.209 319 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.209 319 G C -0.444 174.480 174.900 0.038 0.000 1.283 319 G CA 0.123 45.228 45.100 0.008 0.000 0.960 319 G HN 1.264 nan 8.290 nan 0.000 0.528 320 D N -0.768 119.653 120.400 0.035 0.000 2.328 320 D HA 0.240 4.880 4.640 -0.000 0.000 0.226 320 D C 1.754 178.102 176.300 0.079 0.000 1.066 320 D CA 0.784 54.813 54.000 0.048 0.000 0.861 320 D CB 0.856 41.674 40.800 0.031 0.000 0.912 320 D HN 0.652 nan 8.370 nan 0.000 0.521 321 V N 0.436 120.405 119.914 0.093 0.000 3.510 321 V HA 0.021 4.141 4.120 -0.000 0.000 0.270 321 V C 0.827 176.984 176.094 0.104 0.000 1.201 321 V CA 0.811 63.175 62.300 0.107 0.000 1.166 321 V CB -0.183 31.710 31.823 0.116 0.000 0.825 321 V HN 0.345 nan 8.190 nan 0.000 0.484 322 V N -2.406 117.577 119.914 0.115 0.000 3.184 322 V HA 0.938 5.058 4.120 -0.000 0.000 0.308 322 V C 0.345 176.513 176.094 0.124 0.000 1.243 322 V CA -0.657 61.720 62.300 0.129 0.000 1.058 322 V CB 1.064 32.998 31.823 0.185 0.000 1.183 322 V HN 0.125 nan 8.190 nan 0.000 0.471 323 A N -0.430 122.470 122.820 0.132 0.000 2.366 323 A HA 0.743 5.063 4.320 -0.000 0.000 0.250 323 A C 0.944 178.650 177.584 0.204 0.000 1.099 323 A CA 0.633 52.753 52.037 0.138 0.000 0.794 323 A CB -0.712 18.354 19.000 0.110 0.000 1.056 323 A HN 3.021 nan 8.150 nan 0.000 0.499 324 G N -0.897 108.026 108.800 0.204 0.000 2.631 324 G HA2 0.106 4.066 3.960 -0.000 0.000 0.504 324 G HA3 0.106 4.066 3.960 -0.000 0.000 0.504 324 G C -3.014 171.924 174.900 0.063 0.000 1.306 324 G CA -0.455 44.765 45.100 0.199 0.000 0.897 324 G HN 0.869 nan 8.290 nan 0.000 0.520 325 P HA 0.365 nan 4.420 nan 0.000 0.268 325 P C 0.452 177.717 177.300 -0.059 0.000 1.205 325 P CA -0.047 63.034 63.100 -0.032 0.000 0.771 325 P CB 0.377 32.028 31.700 -0.083 0.000 0.858 326 M N 3.412 123.002 119.600 -0.016 0.000 3.436 326 M HA 0.183 4.663 4.480 -0.000 0.000 0.240 326 M C -0.476 175.801 176.300 -0.040 0.000 1.469 326 M CA 0.545 55.836 55.300 -0.015 0.000 1.622 326 M CB -0.858 31.756 32.600 0.024 0.000 1.098 326 M HN 0.245 nan 8.290 nan 0.000 0.568 327 L N -0.425 120.731 121.223 -0.111 0.000 2.371 327 L HA 0.575 4.915 4.340 -0.000 0.000 0.262 327 L C 0.990 177.769 176.870 -0.151 0.000 1.006 327 L CA -0.473 54.283 54.840 -0.140 0.000 0.818 327 L CB 1.989 43.848 42.059 -0.333 0.000 1.354 327 L HN 0.485 nan 8.230 nan 0.000 0.415 328 A N 0.363 123.156 122.820 -0.044 0.000 1.929 328 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 328 A C 1.874 179.435 177.584 -0.039 0.000 1.176 328 A CA 1.427 53.452 52.037 -0.021 0.000 0.628 328 A CB -0.678 18.345 19.000 0.038 0.000 0.816 328 A HN 0.927 nan 8.150 nan 0.000 0.444 329 H N -0.748 118.276 119.070 -0.076 0.000 2.529 329 H HA 0.052 4.608 4.556 -0.000 0.000 0.277 329 H C 1.638 176.896 175.328 -0.117 0.000 0.999 329 H CA 1.283 57.277 56.048 -0.090 0.000 1.256 329 H CB -0.186 29.528 29.762 -0.080 0.000 1.402 329 H HN 0.542 nan 8.280 nan 0.000 0.566 330 K N 1.767 121.886 120.400 -0.469 0.000 2.005 330 K HA 0.024 4.344 4.320 -0.000 0.000 0.206 330 K C 2.349 178.799 176.600 -0.250 0.000 1.044 330 K CA 1.023 57.069 56.287 -0.401 0.000 0.942 330 K CB -0.368 31.834 32.500 -0.497 0.000 0.727 330 K HN 0.187 nan 8.250 nan 0.000 0.439 331 A N 1.757 124.454 122.820 -0.205 0.000 2.042 331 A HA -0.250 4.070 4.320 -0.000 0.000 0.222 331 A C 2.037 179.520 177.584 -0.168 0.000 1.167 331 A CA 2.163 54.108 52.037 -0.153 0.000 0.649 331 A CB -0.570 18.366 19.000 -0.107 0.000 0.809 331 A HN 0.735 nan 8.150 nan 0.000 0.457 332 E N -0.408 119.699 120.200 -0.155 0.000 2.042 332 E HA -0.164 4.186 4.350 -0.000 0.000 0.189 332 E C 1.179 177.684 176.600 -0.160 0.000 0.974 332 E CA 0.996 57.297 56.400 -0.164 0.000 0.806 332 E CB -0.134 29.492 29.700 -0.124 0.000 0.769 332 E HN 0.483 nan 8.360 nan 0.000 0.451 333 D N 0.449 120.772 120.400 -0.128 0.000 2.351 333 D HA -0.118 4.522 4.640 -0.000 0.000 0.216 333 D C 1.476 177.686 176.300 -0.150 0.000 0.968 333 D CA 0.703 54.637 54.000 -0.111 0.000 0.899 333 D CB 0.079 40.835 40.800 -0.074 0.000 0.907 333 D HN 0.300 nan 8.370 nan 0.000 0.514 334 E N -0.442 119.631 120.200 -0.212 0.000 2.075 334 E HA 0.011 4.361 4.350 -0.000 0.000 0.190 334 E C 2.183 178.494 176.600 -0.482 0.000 0.969 334 E CA 0.545 56.728 56.400 -0.363 0.000 0.815 334 E CB -0.045 29.468 29.700 -0.312 0.000 0.776 334 E HN 0.269 nan 8.360 nan 0.000 0.457 335 G N 0.622 109.226 108.800 -0.326 0.000 2.559 335 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.216 335 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.216 335 G C 1.399 176.160 174.900 -0.231 0.000 1.126 335 G CA 0.281 45.217 45.100 -0.273 0.000 0.778 335 G HN 0.137 nan 8.290 nan 0.000 0.543 336 I N 0.692 121.137 120.570 -0.209 0.000 2.364 336 I HA 0.039 4.209 4.170 -0.000 0.000 0.241 336 I C 2.358 178.390 176.117 -0.141 0.000 1.082 336 I CA 0.534 61.740 61.300 -0.156 0.000 1.401 336 I CB -0.001 37.926 38.000 -0.120 0.000 1.126 336 I HN 0.254 nan 8.210 nan 0.000 0.429 337 I N -1.769 118.723 120.570 -0.130 0.000 3.334 337 I HA -0.131 4.039 4.170 -0.000 0.000 0.282 337 I C 2.152 178.230 176.117 -0.065 0.000 1.313 337 I CA 0.688 61.952 61.300 -0.059 0.000 1.396 337 I CB -0.680 37.331 38.000 0.018 0.000 1.054 337 I HN 0.264 nan 8.210 nan 0.000 0.495 338 C N -0.139 119.040 119.300 -0.202 0.000 2.504 338 C HA 0.167 4.627 4.460 -0.000 0.000 0.279 338 C C 2.434 177.311 174.990 -0.189 0.000 1.358 338 C CA 0.636 59.532 59.018 -0.205 0.000 1.747 338 C CB -0.498 27.022 27.740 -0.367 0.000 2.037 338 C HN 0.479 nan 8.230 nan 0.000 0.503 339 V N 0.664 120.473 119.914 -0.175 0.000 2.825 339 V HA -0.008 4.112 4.120 -0.000 0.000 0.246 339 V C 2.325 178.345 176.094 -0.125 0.000 1.068 339 V CA 1.375 63.586 62.300 -0.148 0.000 1.088 339 V CB -0.767 30.970 31.823 -0.144 0.000 0.733 339 V HN 0.504 nan 8.190 nan 0.000 0.468 340 E N 1.382 121.517 120.200 -0.107 0.000 2.153 340 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 340 E C 2.312 178.901 176.600 -0.017 0.000 0.988 340 E CA 1.349 57.702 56.400 -0.079 0.000 0.811 340 E CB -0.361 29.308 29.700 -0.052 0.000 0.746 340 E HN 0.649 nan 8.360 nan 0.000 0.466 341 G N 1.089 109.898 108.800 0.015 0.000 2.422 341 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.218 341 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.218 341 G C 1.526 176.492 174.900 0.111 0.000 1.146 341 G CA 0.451 45.603 45.100 0.087 0.000 0.769 341 G HN 0.114 nan 8.290 nan 0.000 0.547 342 M N 0.526 120.174 119.600 0.080 0.000 2.492 342 M HA 0.208 4.688 4.480 -0.000 0.000 0.262 342 M C 2.004 178.491 176.300 0.311 0.000 1.090 342 M CA 0.658 56.065 55.300 0.178 0.000 1.110 342 M CB 0.445 33.134 32.600 0.148 0.000 1.407 342 M HN 0.255 nan 8.290 nan 0.000 0.470 343 A N -0.128 122.807 122.820 0.192 0.000 2.708 343 A HA 0.542 4.862 4.320 -0.000 0.000 0.293 343 A C 1.205 178.843 177.584 0.089 0.000 1.303 343 A CA 0.189 52.328 52.037 0.171 0.000 0.949 343 A CB -0.778 18.169 19.000 -0.087 0.000 1.121 343 A HN 0.570 nan 8.150 nan 0.000 0.542 344 G N -0.909 107.951 108.800 0.100 0.000 2.221 344 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.265 344 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.265 344 G C 0.668 175.599 174.900 0.052 0.000 1.041 344 G CA 0.533 45.680 45.100 0.077 0.000 0.807 344 G HN 1.342 nan 8.290 nan 0.000 0.502 345 G N -0.892 107.934 108.800 0.043 0.000 2.583 345 G HA2 0.896 4.856 3.960 -0.000 0.000 0.280 345 G HA3 0.896 4.856 3.960 -0.000 0.000 0.280 345 G C 0.542 175.475 174.900 0.055 0.000 1.376 345 G CA 0.146 45.267 45.100 0.034 0.000 1.043 345 G HN 1.439 nan 8.290 nan 0.000 0.538 346 A N -1.812 121.042 122.820 0.056 0.000 2.259 346 A HA 0.588 4.908 4.320 -0.000 0.000 0.278 346 A C 0.543 178.191 177.584 0.107 0.000 1.107 346 A CA 0.366 52.450 52.037 0.080 0.000 0.828 346 A CB 1.015 20.062 19.000 0.078 0.000 1.111 346 A HN 1.733 nan 8.150 nan 0.000 0.498 347 V N -2.293 117.707 119.914 0.143 0.000 3.823 347 V HA 0.232 4.352 4.120 -0.000 0.000 0.511 347 V C -0.117 176.101 176.094 0.206 0.000 1.722 347 V CA 0.179 62.596 62.300 0.194 0.000 2.032 347 V CB -1.374 30.586 31.823 0.227 0.000 1.128 347 V HN 0.994 nan 8.190 nan 0.000 0.581 348 H N 1.847 120.968 119.070 0.084 0.000 2.742 348 H HA 0.732 5.288 4.556 -0.000 0.000 0.302 348 H C -0.674 174.714 175.328 0.100 0.000 1.069 348 H CA -0.248 55.837 56.048 0.062 0.000 1.446 348 H CB 1.238 31.018 29.762 0.031 0.000 1.462 348 H HN 0.630 nan 8.280 nan 0.000 0.499 349 I N 4.793 125.224 120.570 -0.232 0.000 2.512 349 I HA 0.206 4.376 4.170 -0.000 0.000 0.287 349 I C -1.376 174.689 176.117 -0.087 0.000 1.069 349 I CA -0.787 60.452 61.300 -0.102 0.000 1.056 349 I CB 1.429 39.587 38.000 0.264 0.000 1.229 349 I HN 0.680 nan 8.210 nan 0.000 0.429 350 D N 6.694 127.031 120.400 -0.105 0.000 2.505 350 D HA 0.165 4.805 4.640 -0.000 0.000 0.242 350 D C 0.083 176.487 176.300 0.173 0.000 1.136 350 D CA -0.234 53.751 54.000 -0.026 0.000 0.954 350 D CB 0.335 41.082 40.800 -0.089 0.000 1.002 350 D HN 0.408 nan 8.370 nan 0.000 0.512 351 Y N 1.490 121.779 120.300 -0.018 0.000 2.751 351 Y HA -0.048 4.502 4.550 -0.000 0.000 0.310 351 Y C 2.003 177.918 175.900 0.024 0.000 1.176 351 Y CA 0.289 58.392 58.100 0.005 0.000 1.360 351 Y CB -0.769 37.700 38.460 0.016 0.000 0.999 351 Y HN 0.520 nan 8.280 nan 0.000 0.532 352 N N -1.179 117.628 118.700 0.179 0.000 2.415 352 N HA -0.085 4.655 4.740 -0.000 0.000 0.174 352 N C 0.885 176.454 175.510 0.097 0.000 1.048 352 N CA 0.498 53.626 53.050 0.130 0.000 0.895 352 N CB -0.173 38.380 38.487 0.111 0.000 1.036 352 N HN 0.188 nan 8.380 nan 0.000 0.449 353 C N 1.751 121.101 119.300 0.082 0.000 2.551 353 C HA 0.260 4.720 4.460 -0.000 0.000 0.284 353 C C 0.962 175.976 174.990 0.041 0.000 1.329 353 C CA -0.560 58.493 59.018 0.057 0.000 1.683 353 C CB -1.613 26.156 27.740 0.048 0.000 1.730 353 C HN 0.231 nan 8.230 nan 0.000 0.591 354 V N 2.286 122.226 119.914 0.042 0.000 2.383 354 V HA 0.550 4.670 4.120 -0.000 0.000 0.275 354 V C -2.609 173.513 176.094 0.047 0.000 1.036 354 V CA -1.790 60.537 62.300 0.044 0.000 0.889 354 V CB 1.261 33.055 31.823 -0.047 0.000 0.985 354 V HN 0.081 nan 8.190 nan 0.000 0.459 355 P HA 0.481 nan 4.420 nan 0.000 0.279 355 P C -0.867 176.320 177.300 -0.189 0.000 1.252 355 P CA -0.279 62.741 63.100 -0.134 0.000 0.811 355 P CB 1.256 32.829 31.700 -0.212 0.000 1.035 356 S N 0.105 115.459 115.700 -0.576 0.000 2.482 356 S HA 0.625 5.095 4.470 -0.000 0.000 0.303 356 S C -0.620 173.434 174.600 -0.910 0.000 1.091 356 S CA -0.588 57.122 58.200 -0.816 0.000 1.057 356 S CB 1.193 63.566 63.200 -1.378 0.000 1.031 356 S HN 0.210 nan 8.310 nan 0.000 0.485 357 V N 3.370 122.897 119.914 -0.645 0.000 2.686 357 V HA 0.518 4.638 4.120 -0.000 0.000 0.306 357 V C -0.899 174.863 176.094 -0.553 0.000 1.065 357 V CA -0.645 61.251 62.300 -0.674 0.000 0.894 357 V CB 1.559 32.867 31.823 -0.858 0.000 1.004 357 V HN 0.829 nan 8.190 nan 0.000 0.424 358 I N 4.112 124.407 120.570 -0.458 0.000 2.339 358 I HA 0.373 4.543 4.170 -0.000 0.000 0.290 358 I C -0.699 175.245 176.117 -0.289 0.000 0.994 358 I CA -0.435 60.726 61.300 -0.232 0.000 1.191 358 I CB 1.299 39.249 38.000 -0.083 0.000 1.343 358 I HN 0.588 nan 8.210 nan 0.000 0.458 359 Y N 4.513 124.790 120.300 -0.038 0.000 2.955 359 Y HA 0.132 4.682 4.550 -0.000 0.000 0.386 359 Y C 1.342 177.237 175.900 -0.008 0.000 1.069 359 Y CA -0.658 57.413 58.100 -0.048 0.000 1.764 359 Y CB -0.653 37.772 38.460 -0.058 0.000 1.646 359 Y HN 0.537 nan 8.280 nan 0.000 0.486 360 T N -3.331 111.302 114.554 0.132 0.000 2.814 360 T HA 0.238 4.588 4.350 -0.000 0.000 0.284 360 T C -0.692 174.080 174.700 0.119 0.000 0.998 360 T CA -0.666 61.544 62.100 0.184 0.000 0.935 360 T CB 1.112 70.193 68.868 0.355 0.000 1.167 360 T HN 0.405 nan 8.240 nan 0.000 0.545 361 H N 1.461 120.558 119.070 0.045 0.000 2.708 361 H HA 0.448 5.004 4.556 -0.000 0.000 0.320 361 H C -2.625 172.770 175.328 0.113 0.000 0.991 361 H CA -1.883 54.157 56.048 -0.013 0.000 1.243 361 H CB 1.174 30.829 29.762 -0.178 0.000 1.446 361 H HN 0.397 nan 8.280 nan 0.000 0.502 362 P HA 0.081 nan 4.420 nan 0.000 0.278 362 P C -0.491 176.692 177.300 -0.195 0.000 1.238 362 P CA -0.399 62.454 63.100 -0.411 0.000 0.794 362 P CB 1.442 32.993 31.700 -0.249 0.000 0.955 363 E N 0.134 120.172 120.200 -0.270 0.000 2.418 363 E HA 0.228 4.578 4.350 -0.000 0.000 0.261 363 E C -0.323 176.107 176.600 -0.283 0.000 1.070 363 E CA -0.261 55.994 56.400 -0.241 0.000 0.931 363 E CB 0.426 29.984 29.700 -0.237 0.000 0.954 363 E HN 0.178 nan 8.360 nan 0.000 0.439 364 V N 0.887 120.585 119.914 -0.360 0.000 2.715 364 V HA 0.828 4.948 4.120 -0.000 0.000 0.310 364 V C -0.393 175.587 176.094 -0.190 0.000 1.054 364 V CA -0.728 61.406 62.300 -0.276 0.000 0.928 364 V CB 1.619 33.187 31.823 -0.426 0.000 1.007 364 V HN 0.790 nan 8.190 nan 0.000 0.437 365 A N 3.217 126.031 122.820 -0.010 0.000 2.577 365 A HA 0.871 5.191 4.320 -0.000 0.000 0.297 365 A C -1.874 175.794 177.584 0.139 0.000 1.060 365 A CA -0.621 51.340 52.037 -0.127 0.000 0.697 365 A CB 1.389 20.238 19.000 -0.252 0.000 1.281 365 A HN 1.653 nan 8.150 nan 0.000 0.402 366 W N 0.341 121.588 121.300 -0.089 0.000 3.213 366 W HA 0.741 5.401 4.660 -0.000 0.000 0.318 366 W C -2.011 174.435 176.519 -0.122 0.000 1.248 366 W CA -1.153 56.123 57.345 -0.114 0.000 1.187 366 W CB 1.164 30.630 29.460 0.010 0.000 1.403 366 W HN 1.007 nan 8.180 nan 0.000 0.556 367 V N 3.708 123.644 119.914 0.036 0.000 2.888 367 V HA 0.903 5.023 4.120 -0.000 0.000 0.309 367 V C 0.275 176.390 176.094 0.035 0.000 1.114 367 V CA 0.436 62.748 62.300 0.020 0.000 0.940 367 V CB 1.308 33.114 31.823 -0.028 0.000 1.021 367 V HN 2.100 nan 8.190 nan 0.000 0.426 368 G N 5.639 114.493 108.800 0.090 0.000 2.512 368 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.210 368 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.210 368 G C -0.912 174.062 174.900 0.123 0.000 1.295 368 G CA -0.122 45.025 45.100 0.080 0.000 0.934 368 G HN 0.918 nan 8.290 nan 0.000 0.554 369 K N 0.344 120.803 120.400 0.097 0.000 2.095 369 K HA 0.684 5.004 4.320 -0.000 0.000 0.252 369 K C 0.672 177.367 176.600 0.159 0.000 0.977 369 K CA 0.041 56.394 56.287 0.110 0.000 0.900 369 K CB 1.689 34.229 32.500 0.067 0.000 1.060 369 K HN 1.120 nan 8.250 nan 0.000 0.449 370 S N -0.271 115.483 115.700 0.088 0.000 2.707 370 S HA 0.180 4.650 4.470 -0.000 0.000 0.276 370 S C 0.976 175.497 174.600 -0.131 0.000 1.179 370 S CA -0.662 57.516 58.200 -0.037 0.000 0.992 370 S CB 1.298 64.374 63.200 -0.207 0.000 1.030 370 S HN 0.597 nan 8.310 nan 0.000 0.554 371 E N 0.727 120.781 120.200 -0.243 0.000 2.110 371 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 371 E C 1.853 178.387 176.600 -0.111 0.000 0.988 371 E CA 1.386 57.633 56.400 -0.254 0.000 0.804 371 E CB -0.068 29.492 29.700 -0.233 0.000 0.745 371 E HN 0.686 nan 8.360 nan 0.000 0.458 372 E N 1.123 121.255 120.200 -0.113 0.000 2.001 372 E HA -0.246 4.104 4.350 -0.000 0.000 0.195 372 E C 2.027 178.612 176.600 -0.026 0.000 1.002 372 E CA 1.040 57.403 56.400 -0.063 0.000 0.819 372 E CB -0.822 28.821 29.700 -0.096 0.000 0.769 372 E HN 0.282 nan 8.360 nan 0.000 0.454 373 Q N -0.074 119.707 119.800 -0.031 0.000 2.268 373 Q HA -0.192 4.148 4.340 -0.000 0.000 0.213 373 Q C 2.116 178.132 176.000 0.028 0.000 0.995 373 Q CA 1.295 57.102 55.803 0.005 0.000 0.901 373 Q CB -0.172 28.576 28.738 0.017 0.000 0.921 373 Q HN 0.100 nan 8.270 nan 0.000 0.421 374 L N 0.153 121.391 121.223 0.024 0.000 2.179 374 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 374 L C 1.766 178.731 176.870 0.158 0.000 1.096 374 L CA 1.662 56.553 54.840 0.086 0.000 0.779 374 L CB -0.200 41.874 42.059 0.025 0.000 0.922 374 L HN 0.053 nan 8.230 nan 0.000 0.443 375 K N -0.574 119.913 120.400 0.144 0.000 2.021 375 K HA -0.169 4.151 4.320 -0.000 0.000 0.205 375 K C 1.847 178.485 176.600 0.063 0.000 1.047 375 K CA 1.149 57.507 56.287 0.119 0.000 0.943 375 K CB -0.200 32.360 32.500 0.100 0.000 0.725 375 K HN 0.276 nan 8.250 nan 0.000 0.439 376 E N 1.758 121.985 120.200 0.044 0.000 2.301 376 E HA -0.245 4.104 4.350 -0.000 0.000 0.202 376 E C 1.000 177.620 176.600 0.033 0.000 1.017 376 E CA 1.583 58.000 56.400 0.030 0.000 0.831 376 E CB 0.087 29.799 29.700 0.020 0.000 0.742 376 E HN 0.456 nan 8.360 nan 0.000 0.491 377 E N -0.713 119.513 120.200 0.043 0.000 2.693 377 E HA 0.169 4.518 4.350 -0.000 0.000 0.214 377 E C 0.414 177.040 176.600 0.043 0.000 0.990 377 E CA 0.147 56.571 56.400 0.040 0.000 1.047 377 E CB 0.529 30.253 29.700 0.040 0.000 1.039 377 E HN 0.222 nan 8.360 nan 0.000 0.475 378 G N 2.250 111.079 108.800 0.048 0.000 2.352 378 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.283 378 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.283 378 G C -0.199 174.728 174.900 0.044 0.000 0.946 378 G CA 0.582 45.705 45.100 0.038 0.000 1.317 378 G HN 0.430 nan 8.290 nan 0.000 0.478 379 I N -0.034 120.582 120.570 0.076 0.000 2.465 379 I HA 0.338 4.508 4.170 -0.000 0.000 0.291 379 I C 0.336 176.506 176.117 0.089 0.000 1.014 379 I CA -0.804 60.546 61.300 0.083 0.000 1.093 379 I CB 1.944 40.009 38.000 0.108 0.000 1.267 379 I HN 0.169 nan 8.210 nan 0.000 0.431 380 E N 5.625 125.840 120.200 0.025 0.000 2.194 380 E HA 0.327 4.677 4.350 -0.000 0.000 0.284 380 E C -1.503 175.089 176.600 -0.014 0.000 1.035 380 E CA -0.302 56.054 56.400 -0.073 0.000 0.836 380 E CB 1.219 30.873 29.700 -0.076 0.000 1.070 380 E HN 0.429 nan 8.360 nan 0.000 0.401 381 Y N 1.024 121.329 120.300 0.007 0.000 2.698 381 Y HA 0.596 5.146 4.550 -0.000 0.000 0.332 381 Y C -0.712 175.193 175.900 0.007 0.000 1.119 381 Y CA -1.461 56.645 58.100 0.011 0.000 1.109 381 Y CB 0.899 39.369 38.460 0.017 0.000 1.308 381 Y HN 0.253 nan 8.280 nan 0.000 0.499 382 K N 0.416 121.031 120.400 0.358 0.000 2.444 382 K HA 0.796 5.116 4.320 -0.000 0.000 0.252 382 K C -2.022 174.737 176.600 0.265 0.000 0.993 382 K CA -1.131 55.301 56.287 0.243 0.000 0.847 382 K CB 2.631 35.194 32.500 0.106 0.000 1.340 382 K HN 0.703 nan 8.250 nan 0.000 0.446 383 V N 0.365 120.387 119.914 0.179 0.000 2.495 383 V HA 0.683 4.803 4.120 -0.000 0.000 0.298 383 V C -0.676 175.465 176.094 0.078 0.000 1.031 383 V CA -0.168 62.204 62.300 0.119 0.000 0.871 383 V CB 1.399 33.293 31.823 0.117 0.000 0.988 383 V HN 0.927 nan 8.190 nan 0.000 0.432 384 G N 5.295 114.127 108.800 0.053 0.000 2.437 384 G HA2 0.592 4.552 3.960 -0.000 0.000 0.315 384 G HA3 0.592 4.552 3.960 -0.000 0.000 0.315 384 G C -0.924 174.004 174.900 0.048 0.000 1.210 384 G CA -0.597 44.531 45.100 0.046 0.000 0.943 384 G HN 0.718 nan 8.290 nan 0.000 0.471 385 K N 1.784 122.233 120.400 0.081 0.000 2.413 385 K HA 0.424 4.744 4.320 -0.000 0.000 0.257 385 K C -1.821 174.843 176.600 0.106 0.000 0.946 385 K CA -0.673 55.656 56.287 0.069 0.000 0.823 385 K CB 2.246 34.780 32.500 0.058 0.000 1.109 385 K HN 0.396 nan 8.250 nan 0.000 0.427 386 F N 5.991 125.843 119.950 -0.163 0.000 2.496 386 F HA 0.376 4.903 4.527 -0.000 0.000 0.341 386 F C -2.323 173.202 175.800 -0.459 0.000 1.134 386 F CA -2.200 55.623 58.000 -0.296 0.000 0.968 386 F CB 1.333 40.173 39.000 -0.267 0.000 1.205 386 F HN 0.362 nan 8.300 nan 0.000 0.436 387 P HA 0.091 nan 4.420 nan 0.000 0.274 387 P C 0.290 177.200 177.300 -0.650 0.000 1.231 387 P CA -0.009 62.666 63.100 -0.709 0.000 0.790 387 P CB 1.099 32.308 31.700 -0.818 0.000 0.951 388 F N 1.208 121.033 119.950 -0.208 0.000 2.456 388 F HA 0.041 4.568 4.527 -0.000 0.000 0.298 388 F C 2.592 178.330 175.800 -0.103 0.000 1.104 388 F CA 1.190 59.145 58.000 -0.075 0.000 1.435 388 F CB -1.176 37.813 39.000 -0.018 0.000 1.078 388 F HN 0.334 nan 8.300 nan 0.000 0.546 389 A N -0.152 122.671 122.820 0.005 0.000 2.139 389 A HA -0.037 4.283 4.320 -0.000 0.000 0.221 389 A C 2.035 179.588 177.584 -0.051 0.000 1.159 389 A CA 1.702 53.728 52.037 -0.019 0.000 0.662 389 A CB -0.923 18.041 19.000 -0.060 0.000 0.796 389 A HN 0.244 nan 8.150 nan 0.000 0.463 390 A N -1.060 121.654 122.820 -0.177 0.000 2.564 390 A HA 0.278 4.598 4.320 -0.000 0.000 0.279 390 A C 0.425 178.078 177.584 0.116 0.000 1.232 390 A CA -0.379 51.581 52.037 -0.129 0.000 0.950 390 A CB -0.151 18.611 19.000 -0.396 0.000 1.138 390 A HN 0.423 nan 8.150 nan 0.000 0.526 391 N N -0.051 118.768 118.700 0.198 0.000 2.430 391 N HA 0.218 4.958 4.740 -0.000 0.000 0.292 391 N C 0.675 176.278 175.510 0.154 0.000 1.051 391 N CA 0.081 53.298 53.050 0.280 0.000 0.917 391 N CB 1.498 40.228 38.487 0.406 0.000 1.164 391 N HN 0.092 nan 8.380 nan 0.000 0.484 392 S N 3.074 118.819 115.700 0.074 0.000 2.378 392 S HA -0.210 4.260 4.470 -0.000 0.000 0.221 392 S C 1.742 176.362 174.600 0.034 0.000 1.037 392 S CA 1.310 59.525 58.200 0.025 0.000 1.069 392 S CB -0.279 62.847 63.200 -0.123 0.000 1.006 392 S HN 0.652 nan 8.310 nan 0.000 0.423 393 R N 1.680 122.185 120.500 0.008 0.000 2.097 393 R HA -0.100 4.240 4.340 -0.000 0.000 0.236 393 R C 2.336 178.663 176.300 0.044 0.000 1.135 393 R CA 1.851 57.966 56.100 0.024 0.000 0.934 393 R CB -1.161 29.148 30.300 0.015 0.000 0.846 393 R HN 0.349 nan 8.270 nan 0.000 0.431 394 A N 0.499 123.359 122.820 0.067 0.000 1.896 394 A HA -0.313 4.007 4.320 -0.000 0.000 0.220 394 A C 2.153 179.776 177.584 0.064 0.000 1.206 394 A CA 2.392 54.462 52.037 0.055 0.000 0.647 394 A CB -0.747 18.323 19.000 0.118 0.000 0.828 394 A HN 0.350 nan 8.150 nan 0.000 0.455 395 K N -1.201 119.247 120.400 0.080 0.000 2.097 395 K HA -0.061 4.259 4.320 -0.000 0.000 0.205 395 K C 2.074 178.709 176.600 0.058 0.000 1.050 395 K CA 1.926 58.255 56.287 0.069 0.000 0.938 395 K CB -0.842 31.702 32.500 0.073 0.000 0.718 395 K HN 0.407 nan 8.250 nan 0.000 0.442 396 T N 0.184 114.771 114.554 0.055 0.000 2.915 396 T HA -0.019 4.331 4.350 -0.000 0.000 0.269 396 T C 0.814 175.539 174.700 0.040 0.000 1.071 396 T CA 1.300 63.428 62.100 0.046 0.000 1.132 396 T CB -0.251 68.645 68.868 0.046 0.000 0.878 396 T HN 0.391 nan 8.240 nan 0.000 0.479 397 N N 0.403 119.129 118.700 0.044 0.000 2.268 397 N HA 0.398 5.138 4.740 -0.000 0.000 0.204 397 N C 0.635 176.180 175.510 0.059 0.000 1.124 397 N CA 0.234 53.312 53.050 0.047 0.000 0.838 397 N CB 0.303 38.820 38.487 0.050 0.000 0.994 397 N HN 0.254 nan 8.380 nan 0.000 0.489 398 A N 1.775 124.629 122.820 0.056 0.000 2.783 398 A HA -0.216 4.104 4.320 -0.000 0.000 0.292 398 A C -0.160 177.474 177.584 0.083 0.000 1.495 398 A CA 1.287 53.362 52.037 0.063 0.000 0.787 398 A CB -1.652 17.381 19.000 0.055 0.000 1.017 398 A HN 0.515 nan 8.150 nan 0.000 0.516 399 D N -0.477 119.971 120.400 0.080 0.000 2.328 399 D HA 0.466 5.105 4.640 -0.000 0.000 0.243 399 D C 0.132 176.457 176.300 0.042 0.000 1.324 399 D CA 0.534 54.592 54.000 0.097 0.000 0.966 399 D CB 0.422 41.301 40.800 0.133 0.000 1.324 399 D HN 0.663 nan 8.370 nan 0.000 0.549 400 T N -0.001 114.587 114.554 0.055 0.000 3.630 400 T HA 0.380 4.730 4.350 -0.000 0.000 0.238 400 T C -0.429 174.319 174.700 0.079 0.000 1.195 400 T CA -0.800 61.337 62.100 0.063 0.000 1.433 400 T CB 0.146 69.061 68.868 0.079 0.000 0.940 400 T HN -0.006 nan 8.240 nan 0.000 0.641 401 D N 1.060 121.485 120.400 0.041 0.000 2.163 401 D HA 0.703 5.343 4.640 -0.000 0.000 0.248 401 D C 1.109 177.489 176.300 0.134 0.000 1.035 401 D CA 1.036 55.077 54.000 0.069 0.000 0.872 401 D CB 1.468 42.294 40.800 0.043 0.000 1.183 401 D HN 0.754 nan 8.370 nan 0.000 0.445 402 G N 0.986 109.873 108.800 0.145 0.000 2.593 402 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.237 402 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.237 402 G C -0.225 174.794 174.900 0.198 0.000 1.312 402 G CA 0.312 45.519 45.100 0.177 0.000 0.896 402 G HN 0.762 nan 8.290 nan 0.000 0.574 403 M N -2.974 116.725 119.600 0.164 0.000 3.331 403 M HA 0.779 5.259 4.480 -0.000 0.000 0.281 403 M C -1.145 175.078 176.300 -0.129 0.000 1.338 403 M CA -1.141 54.102 55.300 -0.095 0.000 0.827 403 M CB 1.922 34.463 32.600 -0.098 0.000 1.674 403 M HN 1.070 nan 8.290 nan 0.000 0.477 404 V N 1.314 121.108 119.914 -0.200 0.000 2.540 404 V HA 0.644 4.764 4.120 -0.000 0.000 0.302 404 V C -0.911 175.190 176.094 0.012 0.000 1.035 404 V CA -0.520 61.754 62.300 -0.043 0.000 0.873 404 V CB 1.536 33.332 31.823 -0.046 0.000 0.992 404 V HN 0.816 nan 8.190 nan 0.000 0.428 405 K N 6.155 126.601 120.400 0.077 0.000 2.463 405 K HA 0.665 4.985 4.320 -0.000 0.000 0.255 405 K C -1.300 175.364 176.600 0.107 0.000 0.942 405 K CA -0.599 55.732 56.287 0.074 0.000 0.814 405 K CB 1.812 34.350 32.500 0.065 0.000 1.122 405 K HN 0.727 nan 8.250 nan 0.000 0.425 406 I N 2.659 123.256 120.570 0.045 0.000 2.474 406 I HA 0.426 4.596 4.170 -0.000 0.000 0.294 406 I C -1.045 175.085 176.117 0.020 0.000 1.005 406 I CA -1.137 60.177 61.300 0.023 0.000 1.113 406 I CB 1.285 39.243 38.000 -0.070 0.000 1.289 406 I HN 0.584 nan 8.210 nan 0.000 0.436 407 L N 5.218 126.450 121.223 0.015 0.000 2.280 407 L HA 0.661 5.001 4.340 -0.000 0.000 0.287 407 L C 0.448 177.328 176.870 0.016 0.000 1.023 407 L CA -0.355 54.469 54.840 -0.027 0.000 0.819 407 L CB 1.636 43.625 42.059 -0.116 0.000 1.212 407 L HN 0.912 nan 8.230 nan 0.000 0.420 408 G N 2.511 111.347 108.800 0.060 0.000 2.478 408 G HA2 0.313 4.273 3.960 -0.000 0.000 0.317 408 G HA3 0.313 4.273 3.960 -0.000 0.000 0.317 408 G C -0.765 174.205 174.900 0.117 0.000 1.259 408 G CA -0.385 44.757 45.100 0.071 0.000 0.933 408 G HN 0.590 nan 8.290 nan 0.000 0.478 409 Q N 1.747 121.607 119.800 0.099 0.000 2.286 409 Q HA 0.036 4.376 4.340 -0.000 0.000 0.290 409 Q C 1.376 177.420 176.000 0.074 0.000 1.049 409 Q CA 0.072 55.936 55.803 0.101 0.000 0.923 409 Q CB 0.722 29.505 28.738 0.075 0.000 1.183 409 Q HN 0.662 nan 8.270 nan 0.000 0.383 410 K N 1.867 122.306 120.400 0.064 0.000 2.147 410 K HA -0.167 4.153 4.320 -0.000 0.000 0.205 410 K C 1.870 178.482 176.600 0.019 0.000 1.049 410 K CA 1.629 57.935 56.287 0.031 0.000 0.936 410 K CB 0.092 32.593 32.500 0.002 0.000 0.722 410 K HN 0.747 nan 8.250 nan 0.000 0.446 411 S N -0.366 115.347 115.700 0.022 0.000 2.341 411 S HA -0.101 4.369 4.470 -0.000 0.000 0.216 411 S C 2.023 176.634 174.600 0.018 0.000 1.034 411 S CA 1.451 59.659 58.200 0.015 0.000 0.964 411 S CB -0.611 62.598 63.200 0.014 0.000 0.882 411 S HN 0.398 nan 8.310 nan 0.000 0.469 412 T N -2.281 112.289 114.554 0.027 0.000 3.129 412 T HA 0.204 4.554 4.350 -0.000 0.000 0.251 412 T C 0.446 175.165 174.700 0.031 0.000 1.117 412 T CA 0.775 62.892 62.100 0.029 0.000 1.034 412 T CB -0.721 68.167 68.868 0.033 0.000 0.968 412 T HN 0.421 nan 8.240 nan 0.000 0.526 413 D N 0.586 121.005 120.400 0.033 0.000 3.039 413 D HA -0.187 4.453 4.640 -0.000 0.000 0.222 413 D C 0.224 176.546 176.300 0.037 0.000 1.179 413 D CA 0.765 54.786 54.000 0.034 0.000 0.880 413 D CB -0.836 39.982 40.800 0.030 0.000 1.115 413 D HN 0.691 nan 8.370 nan 0.000 0.416 414 R N 0.007 120.533 120.500 0.043 0.000 2.410 414 R HA 0.427 4.767 4.340 -0.000 0.000 0.288 414 R C 0.148 176.478 176.300 0.049 0.000 1.051 414 R CA -0.575 55.554 56.100 0.048 0.000 1.021 414 R CB 0.912 31.242 30.300 0.052 0.000 1.032 414 R HN 0.036 nan 8.270 nan 0.000 0.481 415 V N 4.532 124.475 119.914 0.049 0.000 2.479 415 V HA 0.111 4.231 4.120 -0.000 0.000 0.281 415 V C 0.909 177.035 176.094 0.052 0.000 1.031 415 V CA 0.010 62.337 62.300 0.045 0.000 1.038 415 V CB 0.570 32.427 31.823 0.055 0.000 0.981 415 V HN 0.842 nan 8.190 nan 0.000 0.478 416 L N 3.764 125.012 121.223 0.042 0.000 2.467 416 L HA 0.583 4.923 4.340 -0.000 0.000 0.213 416 L C 1.196 178.087 176.870 0.035 0.000 1.053 416 L CA 0.846 55.712 54.840 0.044 0.000 0.847 416 L CB 0.195 42.279 42.059 0.042 0.000 1.075 416 L HN 0.877 nan 8.230 nan 0.000 0.479 417 G N 0.021 108.830 108.800 0.015 0.000 2.753 417 G HA2 0.667 4.627 3.960 -0.000 0.000 0.297 417 G HA3 0.667 4.627 3.960 -0.000 0.000 0.297 417 G C -1.805 173.031 174.900 -0.106 0.000 1.430 417 G CA -0.080 44.997 45.100 -0.038 0.000 1.040 417 G HN 0.047 nan 8.290 nan 0.000 0.530 418 A N 2.274 124.950 122.820 -0.241 0.000 2.343 418 A HA 0.851 5.171 4.320 -0.000 0.000 0.316 418 A C -0.977 176.386 177.584 -0.368 0.000 1.104 418 A CA -0.744 51.211 52.037 -0.136 0.000 0.768 418 A CB 1.157 20.246 19.000 0.148 0.000 1.213 418 A HN 0.741 nan 8.150 nan 0.000 0.456 419 H N 2.349 121.509 119.070 0.150 0.000 2.823 419 H HA 0.450 5.006 4.556 -0.000 0.000 0.332 419 H C -1.376 174.030 175.328 0.130 0.000 0.980 419 H CA -0.240 55.898 56.048 0.149 0.000 1.286 419 H CB 1.459 31.244 29.762 0.037 0.000 1.541 419 H HN 0.537 nan 8.280 nan 0.000 0.521 420 I N 3.933 124.642 120.570 0.231 0.000 2.433 420 I HA 0.218 4.388 4.170 -0.000 0.000 0.292 420 I C -0.503 175.707 176.117 0.154 0.000 1.001 420 I CA -0.708 60.704 61.300 0.187 0.000 1.119 420 I CB 2.108 40.191 38.000 0.138 0.000 1.289 420 I HN 0.292 nan 8.210 nan 0.000 0.438 421 L N 6.526 127.854 121.223 0.174 0.000 2.446 421 L HA 0.998 5.338 4.340 -0.000 0.000 0.268 421 L C -0.263 176.703 176.870 0.160 0.000 0.975 421 L CA 0.447 55.342 54.840 0.091 0.000 0.848 421 L CB 1.166 43.262 42.059 0.062 0.000 1.225 421 L HN 0.813 nan 8.230 nan 0.000 0.410 422 G N 3.785 112.577 108.800 -0.013 0.000 2.350 422 G HA2 0.173 4.133 3.960 -0.000 0.000 0.276 422 G HA3 0.173 4.133 3.960 -0.000 0.000 0.276 422 G C -3.353 171.300 174.900 -0.412 0.000 1.313 422 G CA -0.452 44.529 45.100 -0.199 0.000 0.903 422 G HN 0.447 nan 8.290 nan 0.000 0.490 423 P HA 0.309 nan 4.420 nan 0.000 0.264 423 P C 0.931 178.012 177.300 -0.365 0.000 1.193 423 P CA 1.869 64.692 63.100 -0.461 0.000 0.763 423 P CB 0.579 32.018 31.700 -0.434 0.000 0.810 424 G N 3.099 111.775 108.800 -0.207 0.000 2.305 424 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.287 424 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.287 424 G C 0.823 175.653 174.900 -0.117 0.000 1.036 424 G CA 0.176 45.200 45.100 -0.126 0.000 0.887 424 G HN 0.765 nan 8.290 nan 0.000 0.505 425 A N -0.814 121.922 122.820 -0.140 0.000 2.275 425 A HA 0.602 4.922 4.320 -0.000 0.000 0.212 425 A C 2.276 179.764 177.584 -0.161 0.000 1.201 425 A CA 1.523 53.499 52.037 -0.101 0.000 0.843 425 A CB -0.007 18.950 19.000 -0.073 0.000 0.873 425 A HN 1.347 nan 8.150 nan 0.000 0.492 426 G N -0.392 108.299 108.800 -0.183 0.000 2.426 426 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.214 426 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.214 426 G C 1.252 176.066 174.900 -0.143 0.000 1.156 426 G CA 0.534 45.503 45.100 -0.219 0.000 0.802 426 G HN 0.432 nan 8.290 nan 0.000 0.534 427 E N 0.023 120.165 120.200 -0.097 0.000 2.230 427 E HA 0.089 4.439 4.350 -0.000 0.000 0.192 427 E C 2.334 178.861 176.600 -0.122 0.000 0.987 427 E CA 0.119 56.467 56.400 -0.086 0.000 0.841 427 E CB -0.161 29.509 29.700 -0.051 0.000 0.783 427 E HN 0.399 nan 8.360 nan 0.000 0.481 428 M N 0.531 120.048 119.600 -0.138 0.000 2.077 428 M HA -0.133 4.347 4.480 -0.000 0.000 0.261 428 M C 2.406 178.522 176.300 -0.307 0.000 1.070 428 M CA 0.910 56.083 55.300 -0.211 0.000 1.125 428 M CB -0.158 32.344 32.600 -0.163 0.000 1.339 428 M HN -0.026 nan 8.290 nan 0.000 0.409 429 V N 1.276 121.044 119.914 -0.243 0.000 2.428 429 V HA -0.389 3.731 4.120 -0.000 0.000 0.255 429 V C 1.462 177.429 176.094 -0.211 0.000 1.080 429 V CA 2.542 64.704 62.300 -0.230 0.000 1.083 429 V CB -0.809 30.887 31.823 -0.212 0.000 0.665 429 V HN 0.607 nan 8.190 nan 0.000 0.461 430 N N -0.667 117.920 118.700 -0.188 0.000 2.166 430 N HA -0.225 4.515 4.740 -0.000 0.000 0.186 430 N C 1.899 177.337 175.510 -0.121 0.000 1.019 430 N CA 1.427 54.394 53.050 -0.138 0.000 0.856 430 N CB -0.171 38.250 38.487 -0.111 0.000 0.993 430 N HN 0.659 nan 8.380 nan 0.000 0.426 431 E N 0.884 120.974 120.200 -0.184 0.000 2.072 431 E HA -0.132 4.218 4.350 -0.000 0.000 0.191 431 E C 2.014 178.521 176.600 -0.154 0.000 0.985 431 E CA 0.840 57.140 56.400 -0.166 0.000 0.801 431 E CB 0.000 29.554 29.700 -0.244 0.000 0.750 431 E HN 0.360 nan 8.360 nan 0.000 0.452 432 A N 1.360 123.992 122.820 -0.314 0.000 1.902 432 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 432 A C 2.400 180.002 177.584 0.031 0.000 1.181 432 A CA 1.847 53.858 52.037 -0.042 0.000 0.623 432 A CB -0.786 18.194 19.000 -0.033 0.000 0.818 432 A HN 0.400 nan 8.150 nan 0.000 0.443 433 A N -0.290 122.511 122.820 -0.032 0.000 1.892 433 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 433 A C 2.148 179.762 177.584 0.050 0.000 1.188 433 A CA 1.927 53.965 52.037 0.001 0.000 0.631 433 A CB -0.715 18.264 19.000 -0.035 0.000 0.822 433 A HN 0.827 nan 8.150 nan 0.000 0.447 434 L N -0.191 121.065 121.223 0.055 0.000 2.012 434 L HA -0.099 4.241 4.340 -0.000 0.000 0.210 434 L C 2.648 179.644 176.870 0.210 0.000 1.073 434 L CA 2.396 57.312 54.840 0.126 0.000 0.748 434 L CB -1.073 41.048 42.059 0.102 0.000 0.891 434 L HN 0.363 nan 8.230 nan 0.000 0.431 435 A N -0.281 122.642 122.820 0.172 0.000 1.865 435 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 435 A C 2.266 179.967 177.584 0.196 0.000 1.191 435 A CA 1.924 54.079 52.037 0.196 0.000 0.623 435 A CB -1.019 18.106 19.000 0.208 0.000 0.826 435 A HN 0.477 nan 8.150 nan 0.000 0.444 436 L N -0.123 121.190 121.223 0.150 0.000 2.034 436 L HA -0.233 4.107 4.340 -0.000 0.000 0.217 436 L C 2.447 179.387 176.870 0.117 0.000 1.077 436 L CA 2.159 57.071 54.840 0.119 0.000 0.769 436 L CB -1.143 40.969 42.059 0.088 0.000 0.890 436 L HN 0.488 nan 8.230 nan 0.000 0.435 437 E N -1.389 118.877 120.200 0.109 0.000 2.409 437 E HA -0.191 4.159 4.350 -0.000 0.000 0.198 437 E C 1.567 178.160 176.600 -0.011 0.000 1.024 437 E CA 0.883 57.308 56.400 0.041 0.000 0.861 437 E CB -0.020 29.677 29.700 -0.004 0.000 0.788 437 E HN 0.561 nan 8.360 nan 0.000 0.521 438 Y N -0.618 119.714 120.300 0.053 0.000 2.444 438 Y HA 0.186 4.736 4.550 -0.000 0.000 0.249 438 Y C 1.758 177.687 175.900 0.049 0.000 1.134 438 Y CA 0.528 58.657 58.100 0.049 0.000 1.261 438 Y CB 1.009 39.496 38.460 0.046 0.000 1.143 438 Y HN 0.140 nan 8.280 nan 0.000 0.523 439 G N 0.607 109.512 108.800 0.176 0.000 2.245 439 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.264 439 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.264 439 G C 0.761 175.733 174.900 0.121 0.000 0.985 439 G CA 0.117 45.292 45.100 0.125 0.000 0.625 439 G HN 0.703 nan 8.290 nan 0.000 0.536 440 A N 0.004 122.913 122.820 0.150 0.000 2.644 440 A HA 0.384 4.704 4.320 -0.000 0.000 0.225 440 A C 1.151 178.780 177.584 0.075 0.000 1.122 440 A CA 1.729 53.828 52.037 0.103 0.000 0.876 440 A CB -0.052 19.007 19.000 0.097 0.000 0.972 440 A HN 2.282 nan 8.150 nan 0.000 0.494 441 S N 0.473 116.204 115.700 0.052 0.000 2.718 441 S HA 0.388 4.858 4.470 -0.000 0.000 0.300 441 S C 1.228 175.837 174.600 0.016 0.000 1.117 441 S CA -0.217 58.005 58.200 0.038 0.000 1.002 441 S CB 0.856 64.078 63.200 0.037 0.000 1.092 441 S HN 0.950 nan 8.310 nan 0.000 0.542 442 C N 1.185 120.487 119.300 0.002 0.000 2.353 442 C HA -0.165 4.295 4.460 -0.000 0.000 0.272 442 C C 2.805 177.781 174.990 -0.023 0.000 1.165 442 C CA 1.727 60.727 59.018 -0.030 0.000 1.786 442 C CB -1.575 26.157 27.740 -0.013 0.000 2.071 442 C HN 1.061 nan 8.230 nan 0.000 0.451 443 E N 0.535 120.743 120.200 0.013 0.000 2.152 443 E HA -0.209 4.141 4.350 -0.000 0.000 0.192 443 E C 1.519 178.127 176.600 0.013 0.000 0.983 443 E CA 1.221 57.636 56.400 0.025 0.000 0.818 443 E CB -0.430 29.305 29.700 0.058 0.000 0.758 443 E HN 0.559 nan 8.360 nan 0.000 0.467 444 D N 0.875 121.284 120.400 0.014 0.000 2.133 444 D HA -0.193 4.447 4.640 -0.000 0.000 0.192 444 D C 2.104 178.410 176.300 0.010 0.000 1.001 444 D CA 1.558 55.565 54.000 0.011 0.000 0.844 444 D CB -0.126 40.684 40.800 0.018 0.000 0.944 444 D HN 0.366 nan 8.370 nan 0.000 0.447 445 I N 0.905 121.480 120.570 0.008 0.000 2.277 445 I HA -0.146 4.024 4.170 -0.000 0.000 0.243 445 I C 2.497 178.632 176.117 0.029 0.000 1.094 445 I CA 0.678 61.999 61.300 0.035 0.000 1.393 445 I CB -0.251 37.745 38.000 -0.007 0.000 1.078 445 I HN -0.125 nan 8.210 nan 0.000 0.417 446 A N 0.739 123.539 122.820 -0.033 0.000 2.139 446 A HA -0.252 4.068 4.320 -0.000 0.000 0.221 446 A C 2.340 179.919 177.584 -0.008 0.000 1.159 446 A CA 1.793 53.805 52.037 -0.043 0.000 0.662 446 A CB -0.754 18.214 19.000 -0.053 0.000 0.796 446 A HN 0.436 nan 8.150 nan 0.000 0.463 447 R N -0.970 119.534 120.500 0.007 0.000 2.290 447 R HA 0.207 4.547 4.340 -0.000 0.000 0.197 447 R C -0.221 176.082 176.300 0.004 0.000 0.913 447 R CA 0.087 56.187 56.100 0.000 0.000 1.040 447 R CB 0.090 30.389 30.300 -0.002 0.000 0.992 447 R HN 0.249 nan 8.270 nan 0.000 0.500 448 V N 0.726 120.657 119.914 0.027 0.000 2.775 448 V HA 0.008 4.128 4.120 -0.000 0.000 0.299 448 V C 0.286 176.368 176.094 -0.020 0.000 1.062 448 V CA -0.677 61.611 62.300 -0.020 0.000 1.063 448 V CB 1.278 33.073 31.823 -0.047 0.000 0.994 448 V HN 0.245 nan 8.190 nan 0.000 0.483 449 C N 4.966 124.207 119.300 -0.097 0.000 2.464 449 C HA 0.383 4.843 4.460 -0.000 0.000 0.370 449 C C 0.216 175.112 174.990 -0.157 0.000 1.267 449 C CA -0.384 58.594 59.018 -0.067 0.000 1.781 449 C CB -1.601 26.108 27.740 -0.051 0.000 2.431 449 C HN 0.916 nan 8.230 nan 0.000 0.556 450 H N 3.677 122.756 119.070 0.015 0.000 2.541 450 H HA 0.486 5.042 4.556 -0.000 0.000 0.316 450 H C 0.616 175.970 175.328 0.045 0.000 1.043 450 H CA 0.315 56.378 56.048 0.025 0.000 1.232 450 H CB 1.180 30.953 29.762 0.019 0.000 1.406 450 H HN 0.921 nan 8.280 nan 0.000 0.469 451 A N 3.366 126.255 122.820 0.114 0.000 2.603 451 A HA -0.036 4.284 4.320 -0.000 0.000 0.235 451 A C -0.227 177.448 177.584 0.151 0.000 1.035 451 A CA 0.531 52.631 52.037 0.106 0.000 0.755 451 A CB -0.384 18.657 19.000 0.069 0.000 0.954 451 A HN 0.930 nan 8.150 nan 0.000 0.511 452 H N 2.750 121.851 119.070 0.052 0.000 2.495 452 H HA 0.636 5.192 4.556 -0.000 0.000 0.348 452 H C -2.347 173.007 175.328 0.042 0.000 1.113 452 H CA -1.674 54.404 56.048 0.050 0.000 1.195 452 H CB 1.420 31.206 29.762 0.040 0.000 1.521 452 H HN 0.612 nan 8.280 nan 0.000 0.509 453 P HA 0.304 nan 4.420 nan 0.000 0.296 453 P C -1.361 175.891 177.300 -0.080 0.000 1.301 453 P CA -0.575 62.358 63.100 -0.278 0.000 0.862 453 P CB 1.942 33.507 31.700 -0.226 0.000 1.046 454 T N -1.129 113.379 114.554 -0.077 0.000 2.843 454 T HA 0.264 4.614 4.350 -0.000 0.000 0.302 454 T C 0.592 175.309 174.700 0.029 0.000 1.232 454 T CA -0.738 61.365 62.100 0.005 0.000 1.009 454 T CB 0.667 69.563 68.868 0.046 0.000 1.254 454 T HN -0.031 nan 8.240 nan 0.000 0.504 455 L N 1.179 122.442 121.223 0.066 0.000 2.376 455 L HA 0.162 4.502 4.340 -0.000 0.000 0.219 455 L C 2.395 179.368 176.870 0.173 0.000 1.133 455 L CA 1.246 56.184 54.840 0.162 0.000 0.816 455 L CB -1.316 40.799 42.059 0.094 0.000 0.933 455 L HN 0.835 nan 8.230 nan 0.000 0.449 456 S N -0.977 114.775 115.700 0.086 0.000 2.607 456 S HA -0.027 4.443 4.470 -0.000 0.000 0.224 456 S C 1.608 176.139 174.600 -0.114 0.000 0.969 456 S CA 0.202 58.432 58.200 0.049 0.000 0.927 456 S CB -0.094 63.178 63.200 0.121 0.000 0.772 456 S HN 0.501 nan 8.310 nan 0.000 0.533 457 E N 1.487 121.626 120.200 -0.101 0.000 2.230 457 E HA 0.076 4.426 4.350 -0.000 0.000 0.192 457 E C 2.252 178.640 176.600 -0.353 0.000 0.987 457 E CA 0.592 56.849 56.400 -0.240 0.000 0.841 457 E CB -0.123 29.477 29.700 -0.166 0.000 0.783 457 E HN 0.517 nan 8.360 nan 0.000 0.481 458 A N 0.897 123.589 122.820 -0.213 0.000 2.019 458 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 458 A C 1.863 179.261 177.584 -0.308 0.000 1.164 458 A CA 0.942 52.772 52.037 -0.345 0.000 0.644 458 A CB -0.517 18.283 19.000 -0.332 0.000 0.805 458 A HN 0.309 nan 8.150 nan 0.000 0.449 459 F N 0.278 120.035 119.950 -0.322 0.000 2.118 459 F HA -0.024 4.503 4.527 -0.000 0.000 0.293 459 F C 2.332 177.962 175.800 -0.283 0.000 1.102 459 F CA 1.639 59.490 58.000 -0.249 0.000 1.247 459 F CB -0.338 38.556 39.000 -0.176 0.000 1.017 459 F HN 0.178 nan 8.300 nan 0.000 0.475 460 R N 0.687 120.915 120.500 -0.454 0.000 2.096 460 R HA -0.184 4.156 4.340 -0.000 0.000 0.240 460 R C 1.912 177.980 176.300 -0.386 0.000 1.139 460 R CA 2.104 57.937 56.100 -0.445 0.000 0.952 460 R CB -0.516 29.521 30.300 -0.440 0.000 0.854 460 R HN 0.400 nan 8.270 nan 0.000 0.436 461 E N -0.567 119.350 120.200 -0.472 0.000 2.427 461 E HA -0.067 4.283 4.350 -0.000 0.000 0.196 461 E C 1.609 178.037 176.600 -0.288 0.000 1.028 461 E CA 0.608 56.730 56.400 -0.463 0.000 0.864 461 E CB 0.263 29.417 29.700 -0.910 0.000 0.813 461 E HN 0.439 nan 8.360 nan 0.000 0.514 462 A N 1.713 124.359 122.820 -0.290 0.000 1.874 462 A HA -0.125 4.195 4.320 -0.000 0.000 0.214 462 A C 1.840 179.325 177.584 -0.166 0.000 1.189 462 A CA 1.053 53.009 52.037 -0.136 0.000 0.615 462 A CB -0.539 18.372 19.000 -0.148 0.000 0.830 462 A HN 0.177 nan 8.150 nan 0.000 0.443 463 N N -0.476 118.041 118.700 -0.306 0.000 2.205 463 N HA -0.156 4.584 4.740 -0.000 0.000 0.186 463 N C 1.641 177.082 175.510 -0.114 0.000 1.015 463 N CA 1.166 54.069 53.050 -0.245 0.000 0.862 463 N CB -0.180 38.094 38.487 -0.355 0.000 0.986 463 N HN 0.420 nan 8.380 nan 0.000 0.429 464 L N 0.934 122.093 121.223 -0.106 0.000 2.093 464 L HA 0.000 4.340 4.340 -0.000 0.000 0.208 464 L C 2.116 179.019 176.870 0.055 0.000 1.085 464 L CA 1.293 56.120 54.840 -0.022 0.000 0.755 464 L CB -0.493 41.529 42.059 -0.061 0.000 0.904 464 L HN 0.037 nan 8.230 nan 0.000 0.435 465 A N -0.548 122.298 122.820 0.044 0.000 1.969 465 A HA 0.004 4.324 4.320 -0.000 0.000 0.218 465 A C 2.411 180.039 177.584 0.075 0.000 1.169 465 A CA 1.472 53.564 52.037 0.092 0.000 0.635 465 A CB -0.971 18.104 19.000 0.124 0.000 0.810 465 A HN 0.565 nan 8.150 nan 0.000 0.445 466 A N -0.972 121.873 122.820 0.041 0.000 1.872 466 A HA 0.003 4.323 4.320 -0.000 0.000 0.214 466 A C 2.412 180.025 177.584 0.048 0.000 1.187 466 A CA 1.952 54.013 52.037 0.040 0.000 0.614 466 A CB -0.871 18.137 19.000 0.013 0.000 0.826 466 A HN 0.499 nan 8.150 nan 0.000 0.442 467 S N -1.305 114.429 115.700 0.057 0.000 2.354 467 S HA 0.101 4.571 4.470 -0.000 0.000 0.200 467 S C 0.759 175.430 174.600 0.117 0.000 1.055 467 S CA 0.083 58.333 58.200 0.082 0.000 1.077 467 S CB -0.511 62.746 63.200 0.096 0.000 0.992 467 S HN 0.305 nan 8.310 nan 0.000 0.423 468 F N 1.331 121.278 119.950 -0.005 0.000 2.579 468 F HA 0.330 4.857 4.527 -0.000 0.000 0.311 468 F C 1.897 177.702 175.800 0.007 0.000 1.272 468 F CA 0.805 58.806 58.000 0.001 0.000 1.335 468 F CB -0.093 38.907 39.000 0.000 0.000 1.191 468 F HN 0.382 nan 8.300 nan 0.000 0.575 469 G N 0.453 109.303 108.800 0.084 0.000 2.450 469 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.220 469 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.220 469 G C -0.303 174.666 174.900 0.115 0.000 1.130 469 G CA 1.494 46.633 45.100 0.066 0.000 0.760 469 G HN 0.542 nan 8.290 nan 0.000 0.557 470 K N -1.485 119.022 120.400 0.177 0.000 2.544 470 K HA 0.558 4.878 4.320 -0.000 0.000 0.282 470 K C -0.607 176.084 176.600 0.151 0.000 1.020 470 K CA -0.422 55.951 56.287 0.144 0.000 0.830 470 K CB 0.205 32.768 32.500 0.104 0.000 1.521 470 K HN 0.095 nan 8.250 nan 0.000 0.376 471 S N -0.643 115.154 115.700 0.161 0.000 2.767 471 S HA 0.503 4.973 4.470 -0.000 0.000 0.300 471 S C 0.835 175.508 174.600 0.122 0.000 1.123 471 S CA -0.912 57.372 58.200 0.140 0.000 0.992 471 S CB 0.463 63.797 63.200 0.222 0.000 1.138 471 S HN 0.435 nan 8.310 nan 0.000 0.550 472 I N 1.099 121.718 120.570 0.082 0.000 2.286 472 I HA -0.053 4.117 4.170 -0.000 0.000 0.245 472 I C 1.449 177.657 176.117 0.152 0.000 1.104 472 I CA 1.164 62.510 61.300 0.076 0.000 1.397 472 I CB -1.466 36.552 38.000 0.031 0.000 1.072 472 I HN 0.632 nan 8.210 nan 0.000 0.417 473 N N -0.881 117.983 118.700 0.273 0.000 2.254 473 N HA 0.100 4.840 4.740 -0.000 0.000 0.190 473 N C 0.032 175.805 175.510 0.439 0.000 1.107 473 N CA 0.165 53.425 53.050 0.349 0.000 0.869 473 N CB 1.133 39.866 38.487 0.409 0.000 0.983 473 N HN 0.149 nan 8.380 nan 0.000 0.487 474 F N 0.000 120.080 119.950 0.216 0.000 2.286 474 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 474 F CA 0.000 58.035 58.000 0.058 0.000 1.383 474 F CB 0.000 38.934 39.000 -0.111 0.000 1.145 474 F HN 0.000 nan 8.300 nan 0.000 0.574