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 3hhd_1_C DATA FIRST_RESID -1 DATA SEQUENCE STGEEVVIAG MSGKLPESEN LQEFWDNLIG GVDMVTDDDR RWKAGLYGLP DATA SEQUENCE RRSGKLKDLS RFDASFFGVH PKQAHTMDPQ LRLLLEVTYE AIVDGGINPD DATA SEQUENCE SLRGTHTGVW VGVSGSETSE ALSRDPETLV GYSMVGCQRA MMANRLSFFF DATA SEQUENCE DFRGPSIALD TACSSSLMAL QNAYQAIHSG QCPAAIVGGI NVLLKPNTSV DATA SEQUENCE QFLRLGMLSP EGTCKAFDTA GNGYCRSEGV VAVLLTKKSL ARRVYATILN DATA SEQUENCE AGTNTDGFKE QGVTFPSGDI QEQLIRSLYQ SAGVAPESFE YIEAHGTGTK DATA SEQUENCE VGDPQELNGI TRALCATRQE PLLIGSTKSN MGHPEPASGL AALAKVLLSL DATA SEQUENCE EHGLWAPNLH FHSPNPEIPA LLDGRLQVVD QPLPVRGGNV GINSFGFGGS DATA SEQUENCE NVHIILRPNT QPPPAPAPHA TLPRLLRASG RTPEAVQKLL EQGLRHSQDL DATA SEQUENCE AFLSMLNDIA AVPATAMPFR GYAVLGGERG GPEVQQVPAG ERPLWFICSG DATA SEQUENCE MGTQWRGMGL SLMRLDRFRD SILRSDEAVK PFGLKVSQLL LSTDESTFDD DATA SEQUENCE IVHSFVSLTA IQIGLIDLLS CMGLRPDGIV GHSLGEVACG YADGCLSQEE DATA SEQUENCE AVLAAYWRGQ CIKEAHLPPG AMAAVGLSWE ECKQRCPPGV VPACHNSKDT DATA SEQUENCE VTISGPQAPV FEFVEQLRKE GVFAKEVRTG GMAFHSYFME AIAPPLLQEL DATA SEQUENCE KKVIREPKPR SARWLSTSIP EAQWHSSLAR TSSAEYNVNN LVSPVLFQEA DATA SEQUENCE LWHVPEHAVV LEIAPHALLQ AVLKRGLKPS CTIIPLMKKD HRDNLEFFLA DATA SEQUENCE GIGRLHLSGI DANPNALFPP VEFPAPRGTP LISPLIKWDH SLAWDVPAAE DATA SEQUENCE DFPNG 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 S HA 0.000 nan 4.470 nan 0.000 0.327 -1 S C 0.000 174.619 174.600 0.032 0.000 1.055 -1 S CA 0.000 58.215 58.200 0.025 0.000 1.107 -1 S CB 0.000 63.203 63.200 0.006 0.000 0.593 0 T N 1.568 116.152 114.554 0.050 0.000 3.114 0 T HA 0.676 5.026 4.350 -0.000 0.000 0.240 0 T C 0.860 175.506 174.700 -0.091 0.000 0.983 0 T CA 1.500 63.648 62.100 0.079 0.000 1.151 0 T CB -0.236 68.771 68.868 0.232 0.000 0.974 0 T HN 1.702 nan 8.240 nan 0.000 0.442 1 G N 0.508 109.193 108.800 -0.192 0.000 2.435 1 G HA2 0.433 4.393 3.960 -0.000 0.000 0.228 1 G HA3 0.433 4.393 3.960 -0.000 0.000 0.228 1 G C -1.718 173.026 174.900 -0.260 0.000 1.198 1 G CA -0.497 44.322 45.100 -0.469 0.000 0.948 1 G HN 0.268 nan 8.290 nan 0.000 0.487 2 E N 0.636 120.663 120.200 -0.289 0.000 2.343 2 E HA 0.477 4.827 4.350 -0.000 0.000 0.269 2 E C -0.067 176.582 176.600 0.081 0.000 1.047 2 E CA -0.336 56.021 56.400 -0.072 0.000 0.874 2 E CB 1.246 30.897 29.700 -0.083 0.000 1.033 2 E HN 0.481 nan 8.360 nan 0.000 0.409 3 E N 2.154 122.399 120.200 0.075 0.000 2.289 3 E HA 0.301 4.651 4.350 -0.000 0.000 0.278 3 E C -1.216 175.443 176.600 0.098 0.000 1.032 3 E CA -0.582 55.885 56.400 0.111 0.000 0.854 3 E CB 0.742 30.488 29.700 0.077 0.000 1.046 3 E HN 0.241 nan 8.360 nan 0.000 0.409 4 V N 6.030 126.029 119.914 0.141 0.000 2.384 4 V HA 0.373 4.493 4.120 -0.000 0.000 0.287 4 V C -0.098 176.069 176.094 0.123 0.000 1.020 4 V CA -0.719 61.662 62.300 0.134 0.000 0.850 4 V CB 1.065 33.012 31.823 0.207 0.000 0.987 4 V HN 0.592 nan 8.190 nan 0.000 0.436 5 V N 2.948 122.913 119.914 0.084 0.000 2.960 5 V HA 0.667 4.787 4.120 -0.000 0.000 0.315 5 V C -0.375 175.767 176.094 0.080 0.000 1.087 5 V CA -0.989 61.355 62.300 0.074 0.000 0.982 5 V CB 2.188 34.041 31.823 0.051 0.000 1.039 5 V HN 0.649 nan 8.190 nan 0.000 0.437 6 I N 3.111 123.742 120.570 0.102 0.000 2.322 6 I HA 0.473 4.643 4.170 -0.000 0.000 0.292 6 I C 1.186 177.412 176.117 0.182 0.000 1.060 6 I CA 0.071 61.456 61.300 0.141 0.000 1.309 6 I CB 1.415 39.510 38.000 0.159 0.000 1.415 6 I HN 0.902 nan 8.210 nan 0.000 0.492 7 A N 5.104 128.002 122.820 0.130 0.000 2.169 7 A HA 0.577 4.897 4.320 -0.000 0.000 0.210 7 A C 0.953 178.604 177.584 0.112 0.000 1.168 7 A CA 0.456 52.533 52.037 0.066 0.000 0.813 7 A CB 0.251 19.255 19.000 0.007 0.000 0.861 7 A HN 0.766 nan 8.150 nan 0.000 0.481 8 G N -0.714 108.234 108.800 0.246 0.000 2.632 8 G HA2 0.564 4.524 3.960 -0.000 0.000 0.292 8 G HA3 0.564 4.524 3.960 -0.000 0.000 0.292 8 G C -0.946 174.103 174.900 0.249 0.000 1.465 8 G CA -0.187 45.096 45.100 0.305 0.000 0.824 8 G HN 0.743 nan 8.290 nan 0.000 0.509 9 M N -0.691 119.039 119.600 0.217 0.000 2.578 9 M HA 0.888 5.368 4.480 -0.000 0.000 0.276 9 M C -0.981 175.381 176.300 0.102 0.000 1.245 9 M CA -0.937 54.412 55.300 0.082 0.000 0.871 9 M CB 2.065 34.617 32.600 -0.079 0.000 1.722 9 M HN 0.890 nan 8.290 nan 0.000 0.473 10 S N -0.446 115.308 115.700 0.091 0.000 2.615 10 S HA 1.023 5.493 4.470 -0.000 0.000 0.269 10 S C -1.168 173.478 174.600 0.076 0.000 1.161 10 S CA 0.150 58.419 58.200 0.116 0.000 0.817 10 S CB 2.303 65.608 63.200 0.174 0.000 1.131 10 S HN 1.556 nan 8.310 nan 0.000 0.467 11 G N 1.404 110.248 108.800 0.074 0.000 2.489 11 G HA2 0.500 4.459 3.960 -0.000 0.000 0.291 11 G HA3 0.500 4.459 3.960 -0.000 0.000 0.291 11 G C -2.455 172.451 174.900 0.010 0.000 1.487 11 G CA -0.726 44.382 45.100 0.013 0.000 0.795 11 G HN 0.612 nan 8.290 nan 0.000 0.513 12 K N 0.531 120.913 120.400 -0.029 0.000 2.463 12 K HA 0.647 4.967 4.320 -0.000 0.000 0.255 12 K C -0.886 175.653 176.600 -0.101 0.000 0.942 12 K CA -0.515 55.757 56.287 -0.026 0.000 0.814 12 K CB 2.284 34.789 32.500 0.009 0.000 1.122 12 K HN 0.346 nan 8.250 nan 0.000 0.425 13 L N 2.598 123.737 121.223 -0.140 0.000 2.257 13 L HA 0.549 4.889 4.340 -0.000 0.000 0.257 13 L C -2.442 174.393 176.870 -0.059 0.000 1.033 13 L CA -2.739 51.981 54.840 -0.200 0.000 0.835 13 L CB 1.790 43.503 42.059 -0.578 0.000 1.398 13 L HN 0.323 nan 8.230 nan 0.000 0.429 14 P HA -0.008 nan 4.420 nan 0.000 0.262 14 P C -0.527 176.810 177.300 0.062 0.000 1.182 14 P CA 0.509 63.623 63.100 0.023 0.000 0.761 14 P CB 0.239 31.962 31.700 0.038 0.000 0.795 15 E N -0.192 120.034 120.200 0.043 0.000 2.883 15 E HA -0.192 4.157 4.350 -0.000 0.000 0.271 15 E C -0.684 175.966 176.600 0.083 0.000 1.049 15 E CA 1.227 57.660 56.400 0.054 0.000 0.817 15 E CB -2.240 27.491 29.700 0.052 0.000 1.407 15 E HN 0.412 nan 8.360 nan 0.000 0.434 16 S N -0.014 115.739 115.700 0.089 0.000 2.789 16 S HA 0.321 4.791 4.470 -0.000 0.000 0.286 16 S C 0.680 175.334 174.600 0.090 0.000 1.153 16 S CA -0.731 57.542 58.200 0.122 0.000 1.084 16 S CB 1.964 65.288 63.200 0.207 0.000 1.036 16 S HN 0.058 nan 8.310 nan 0.000 0.484 17 E N 2.790 123.052 120.200 0.103 0.000 2.427 17 E HA 0.007 4.357 4.350 -0.000 0.000 0.196 17 E C 0.383 177.062 176.600 0.131 0.000 1.028 17 E CA 0.936 57.402 56.400 0.109 0.000 0.864 17 E CB 0.162 29.934 29.700 0.119 0.000 0.813 17 E HN 0.797 nan 8.360 nan 0.000 0.514 18 N N -2.955 115.830 118.700 0.142 0.000 3.106 18 N HA 0.110 4.849 4.740 -0.000 0.000 0.253 18 N C -0.069 175.555 175.510 0.190 0.000 1.506 18 N CA -0.617 52.527 53.050 0.158 0.000 0.876 18 N CB 0.026 38.617 38.487 0.174 0.000 1.452 18 N HN -0.122 nan 8.380 nan 0.000 0.542 19 L N -1.100 120.244 121.223 0.201 0.000 2.376 19 L HA 0.010 4.350 4.340 -0.000 0.000 0.219 19 L C 2.111 179.176 176.870 0.324 0.000 1.133 19 L CA 1.014 56.020 54.840 0.276 0.000 0.816 19 L CB -0.367 41.822 42.059 0.216 0.000 0.933 19 L HN 0.675 nan 8.230 nan 0.000 0.449 20 Q N 0.849 120.805 119.800 0.259 0.000 2.083 20 Q HA -0.179 4.161 4.340 -0.000 0.000 0.198 20 Q C 1.948 178.102 176.000 0.258 0.000 0.969 20 Q CA 1.589 57.550 55.803 0.263 0.000 0.838 20 Q CB 0.045 28.905 28.738 0.204 0.000 0.900 20 Q HN 0.435 nan 8.270 nan 0.000 0.436 21 E N -0.811 119.520 120.200 0.219 0.000 2.106 21 E HA -0.147 4.203 4.350 -0.000 0.000 0.192 21 E C 1.614 178.343 176.600 0.215 0.000 0.984 21 E CA 0.749 57.254 56.400 0.176 0.000 0.806 21 E CB -0.230 29.561 29.700 0.152 0.000 0.750 21 E HN 0.327 nan 8.360 nan 0.000 0.458 22 F N 1.340 121.353 119.950 0.104 0.000 2.102 22 F HA -0.218 4.309 4.527 -0.000 0.000 0.298 22 F C 2.046 177.905 175.800 0.100 0.000 1.105 22 F CA 1.357 59.412 58.000 0.091 0.000 1.239 22 F CB -0.547 38.522 39.000 0.115 0.000 0.991 22 F HN 0.173 nan 8.300 nan 0.000 0.474 23 W N 1.534 122.803 121.300 -0.052 0.000 2.335 23 W HA -0.255 4.405 4.660 -0.000 0.000 0.311 23 W C 1.817 178.204 176.519 -0.219 0.000 1.213 23 W CA 1.890 59.096 57.345 -0.232 0.000 1.274 23 W CB -0.513 28.833 29.460 -0.190 0.000 1.148 23 W HN 0.042 nan 8.180 nan 0.000 0.498 24 D N 0.399 120.680 120.400 -0.198 0.000 2.104 24 D HA -0.230 4.410 4.640 -0.000 0.000 0.194 24 D C 1.700 177.797 176.300 -0.338 0.000 0.994 24 D CA 1.547 55.378 54.000 -0.283 0.000 0.830 24 D CB -0.875 39.888 40.800 -0.062 0.000 0.959 24 D HN 0.171 nan 8.370 nan 0.000 0.452 25 N N 0.473 119.038 118.700 -0.226 0.000 2.084 25 N HA -0.092 4.648 4.740 -0.000 0.000 0.190 25 N C 2.156 177.464 175.510 -0.337 0.000 1.030 25 N CA 0.450 53.378 53.050 -0.203 0.000 0.849 25 N CB -0.471 37.972 38.487 -0.074 0.000 1.012 25 N HN 0.244 nan 8.380 nan 0.000 0.423 26 L N 0.148 121.062 121.223 -0.516 0.000 1.970 26 L HA -0.143 4.197 4.340 -0.000 0.000 0.212 26 L C 2.203 178.695 176.870 -0.630 0.000 1.071 26 L CA 0.923 55.412 54.840 -0.586 0.000 0.751 26 L CB -0.392 41.241 42.059 -0.711 0.000 0.889 26 L HN 0.082 nan 8.230 nan 0.000 0.432 27 I N 0.065 120.031 120.570 -1.006 0.000 2.676 27 I HA -0.100 4.070 4.170 -0.000 0.000 0.259 27 I C 2.026 177.854 176.117 -0.482 0.000 1.194 27 I CA 1.031 61.804 61.300 -0.878 0.000 1.473 27 I CB -0.301 36.906 38.000 -1.321 0.000 1.096 27 I HN 0.126 nan 8.210 nan 0.000 0.443 28 G N -0.653 107.898 108.800 -0.414 0.000 2.985 28 G HA2 0.211 4.171 3.960 -0.000 0.000 0.209 28 G HA3 0.211 4.171 3.960 -0.000 0.000 0.209 28 G C 1.321 176.106 174.900 -0.191 0.000 1.165 28 G CA 0.257 45.207 45.100 -0.250 0.000 0.776 28 G HN 0.666 nan 8.290 nan 0.000 0.541 29 G N -0.609 108.062 108.800 -0.216 0.000 2.225 29 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.267 29 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.267 29 G C 0.263 175.082 174.900 -0.136 0.000 1.024 29 G CA 0.253 45.254 45.100 -0.166 0.000 0.784 29 G HN 0.702 nan 8.290 nan 0.000 0.507 30 V N 0.723 120.556 119.914 -0.135 0.000 2.508 30 V HA 0.308 4.427 4.120 -0.000 0.000 0.281 30 V C 0.653 176.708 176.094 -0.065 0.000 1.041 30 V CA -0.534 61.714 62.300 -0.087 0.000 1.016 30 V CB 1.624 33.402 31.823 -0.073 0.000 0.984 30 V HN 0.376 nan 8.190 nan 0.000 0.478 31 D N 4.466 124.845 120.400 -0.035 0.000 2.339 31 D HA 0.198 4.838 4.640 -0.000 0.000 0.256 31 D C 0.686 177.003 176.300 0.029 0.000 1.214 31 D CA 0.039 54.044 54.000 0.007 0.000 0.877 31 D CB 1.222 42.052 40.800 0.050 0.000 1.111 31 D HN 0.496 nan 8.370 nan 0.000 0.478 32 M N 2.166 121.794 119.600 0.048 0.000 2.561 32 M HA 0.066 4.546 4.480 -0.000 0.000 0.238 32 M C 0.248 176.579 176.300 0.052 0.000 1.131 32 M CA 0.074 55.410 55.300 0.061 0.000 1.046 32 M CB 0.581 33.246 32.600 0.108 0.000 1.532 32 M HN 0.092 nan 8.290 nan 0.000 0.497 33 V N 1.476 121.423 119.914 0.056 0.000 2.498 33 V HA 0.253 4.373 4.120 -0.000 0.000 0.279 33 V C 0.542 176.650 176.094 0.022 0.000 1.048 33 V CA -0.281 62.042 62.300 0.039 0.000 0.967 33 V CB 0.837 32.691 31.823 0.052 0.000 0.988 33 V HN 0.413 nan 8.190 nan 0.000 0.473 34 T N 0.219 114.772 114.554 -0.002 0.000 2.858 34 T HA 0.582 4.932 4.350 -0.000 0.000 0.285 34 T C -0.368 174.315 174.700 -0.028 0.000 1.052 34 T CA -0.462 61.631 62.100 -0.012 0.000 1.009 34 T CB 2.044 70.900 68.868 -0.019 0.000 1.241 34 T HN 0.658 nan 8.240 nan 0.000 0.542 35 D N -1.108 119.275 120.400 -0.028 0.000 2.720 35 D HA 0.209 4.849 4.640 -0.000 0.000 0.285 35 D C -0.284 175.990 176.300 -0.043 0.000 1.359 35 D CA -0.542 53.438 54.000 -0.034 0.000 0.818 35 D CB -0.595 40.197 40.800 -0.013 0.000 1.108 35 D HN 0.755 nan 8.370 nan 0.000 0.474 36 D N -1.065 119.298 120.400 -0.060 0.000 2.451 36 D HA 0.192 4.832 4.640 -0.000 0.000 0.259 36 D C 0.111 176.353 176.300 -0.097 0.000 1.201 36 D CA -0.659 53.305 54.000 -0.060 0.000 1.028 36 D CB 0.746 41.516 40.800 -0.049 0.000 1.095 36 D HN -0.223 nan 8.370 nan 0.000 0.539 37 D N -0.818 119.537 120.400 -0.074 0.000 2.370 37 D HA 0.055 4.695 4.640 -0.000 0.000 0.230 37 D C 1.338 177.579 176.300 -0.097 0.000 1.143 37 D CA -0.060 53.891 54.000 -0.081 0.000 0.834 37 D CB 0.034 40.822 40.800 -0.020 0.000 0.944 37 D HN 0.368 nan 8.370 nan 0.000 0.504 38 R N 0.612 121.038 120.500 -0.124 0.000 2.112 38 R HA -0.142 4.198 4.340 -0.000 0.000 0.242 38 R C 1.773 178.005 176.300 -0.113 0.000 1.137 38 R CA 1.465 57.502 56.100 -0.105 0.000 0.944 38 R CB 0.267 30.500 30.300 -0.112 0.000 0.857 38 R HN 0.045 nan 8.270 nan 0.000 0.435 39 R N -1.557 118.794 120.500 -0.249 0.000 2.175 39 R HA 0.039 4.379 4.340 -0.000 0.000 0.202 39 R C 0.038 176.370 176.300 0.053 0.000 1.018 39 R CA 0.681 56.664 56.100 -0.195 0.000 1.029 39 R CB 0.396 30.407 30.300 -0.480 0.000 0.959 39 R HN 0.246 nan 8.270 nan 0.000 0.480 40 W N -0.593 120.717 121.300 0.018 0.000 3.057 40 W HA 0.411 5.071 4.660 -0.000 0.000 0.328 40 W C -1.389 175.115 176.519 -0.026 0.000 1.232 40 W CA -1.391 55.954 57.345 -0.001 0.000 1.187 40 W CB 0.006 29.464 29.460 -0.003 0.000 1.417 40 W HN -0.384 nan 8.180 nan 0.000 0.569 41 K N 2.049 122.623 120.400 0.290 0.000 2.491 41 K HA 0.355 4.675 4.320 -0.000 0.000 0.279 41 K C 0.569 177.311 176.600 0.237 0.000 1.026 41 K CA 0.789 57.172 56.287 0.161 0.000 1.070 41 K CB 0.387 32.927 32.500 0.066 0.000 0.887 41 K HN 0.599 nan 8.250 nan 0.000 0.481 42 A N 2.913 125.803 122.820 0.115 0.000 2.524 42 A HA 0.367 4.687 4.320 -0.000 0.000 0.250 42 A C 1.347 178.994 177.584 0.105 0.000 1.078 42 A CA 0.599 52.700 52.037 0.107 0.000 0.761 42 A CB -0.510 18.509 19.000 0.032 0.000 1.012 42 A HN 0.976 nan 8.150 nan 0.000 0.500 43 G N 1.152 110.036 108.800 0.140 0.000 2.176 43 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.253 43 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.253 43 G C 0.196 175.109 174.900 0.021 0.000 0.979 43 G CA 0.178 45.325 45.100 0.078 0.000 0.641 43 G HN 1.601 nan 8.290 nan 0.000 0.530 44 L N 0.418 121.630 121.223 -0.018 0.000 2.559 44 L HA 0.421 4.761 4.340 -0.000 0.000 0.282 44 L C 1.363 178.063 176.870 -0.283 0.000 1.232 44 L CA 0.754 55.414 54.840 -0.300 0.000 0.885 44 L CB -0.374 41.383 42.059 -0.503 0.000 1.131 44 L HN 0.681 nan 8.230 nan 0.000 0.498 45 Y N 2.851 123.113 120.300 -0.064 0.000 4.538 45 Y HA -0.203 4.347 4.550 -0.000 0.000 0.225 45 Y C 1.538 177.408 175.900 -0.049 0.000 1.074 45 Y CA 1.172 59.227 58.100 -0.074 0.000 1.942 45 Y CB -2.279 36.103 38.460 -0.129 0.000 1.618 45 Y HN 1.006 nan 8.280 nan 0.000 0.642 46 G N -0.923 107.924 108.800 0.078 0.000 2.143 46 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.248 46 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.248 46 G C 0.239 175.175 174.900 0.059 0.000 0.991 46 G CA 0.097 45.231 45.100 0.057 0.000 0.689 46 G HN 0.529 nan 8.290 nan 0.000 0.522 47 L N 0.530 121.799 121.223 0.077 0.000 2.473 47 L HA 0.342 4.682 4.340 -0.000 0.000 0.268 47 L C -1.306 175.628 176.870 0.107 0.000 1.215 47 L CA -1.780 53.121 54.840 0.102 0.000 0.823 47 L CB 0.221 42.373 42.059 0.156 0.000 1.099 47 L HN -0.059 nan 8.230 nan 0.000 0.483 48 P HA 0.107 nan 4.420 nan 0.000 0.269 48 P C -0.034 177.326 177.300 0.099 0.000 1.209 48 P CA -0.192 62.949 63.100 0.069 0.000 0.776 48 P CB 0.534 32.257 31.700 0.038 0.000 0.876 49 R N 1.393 121.930 120.500 0.061 0.000 2.148 49 R HA 0.014 4.354 4.340 -0.000 0.000 0.223 49 R C 0.574 176.884 176.300 0.017 0.000 1.088 49 R CA 0.809 56.939 56.100 0.050 0.000 0.985 49 R CB -0.051 30.265 30.300 0.028 0.000 0.880 49 R HN 0.490 nan 8.270 nan 0.000 0.451 50 R N 1.173 121.679 120.500 0.011 0.000 2.410 50 R HA 0.186 4.525 4.340 -0.000 0.000 0.288 50 R C -0.229 176.066 176.300 -0.008 0.000 1.051 50 R CA 0.029 56.125 56.100 -0.007 0.000 1.021 50 R CB 1.488 31.785 30.300 -0.006 0.000 1.032 50 R HN 0.098 nan 8.270 nan 0.000 0.481 51 S N -0.141 115.540 115.700 -0.031 0.000 2.567 51 S HA 0.442 4.912 4.470 -0.000 0.000 0.270 51 S C -0.615 173.964 174.600 -0.037 0.000 1.152 51 S CA -1.080 57.101 58.200 -0.030 0.000 0.835 51 S CB 1.577 64.737 63.200 -0.065 0.000 1.115 51 S HN 0.669 nan 8.310 nan 0.000 0.459 52 G N 1.130 109.922 108.800 -0.014 0.000 2.338 52 G HA2 0.559 4.519 3.960 -0.000 0.000 0.295 52 G HA3 0.559 4.519 3.960 -0.000 0.000 0.295 52 G C -0.837 174.042 174.900 -0.035 0.000 1.132 52 G CA -0.636 44.460 45.100 -0.006 0.000 0.922 52 G HN 0.690 nan 8.290 nan 0.000 0.427 53 K N 2.426 122.800 120.400 -0.044 0.000 2.316 53 K HA 0.415 4.735 4.320 -0.000 0.000 0.251 53 K C -0.036 176.544 176.600 -0.034 0.000 0.934 53 K CA -0.771 55.480 56.287 -0.060 0.000 0.802 53 K CB 2.600 35.041 32.500 -0.098 0.000 1.171 53 K HN 0.318 nan 8.250 nan 0.000 0.426 54 L N 2.831 124.035 121.223 -0.032 0.000 2.467 54 L HA 0.093 4.433 4.340 -0.000 0.000 0.270 54 L C 1.469 178.333 176.870 -0.011 0.000 1.205 54 L CA 0.075 54.905 54.840 -0.017 0.000 0.828 54 L CB 0.301 42.349 42.059 -0.018 0.000 1.101 54 L HN 0.642 nan 8.230 nan 0.000 0.479 55 K N 0.243 120.646 120.400 0.005 0.000 2.097 55 K HA -0.103 4.216 4.320 -0.000 0.000 0.206 55 K C 0.103 176.706 176.600 0.005 0.000 1.049 55 K CA 1.152 57.445 56.287 0.010 0.000 0.933 55 K CB 0.065 32.581 32.500 0.027 0.000 0.717 55 K HN 0.510 nan 8.250 nan 0.000 0.442 56 D N -1.473 118.930 120.400 0.005 0.000 2.837 56 D HA 0.189 4.829 4.640 -0.000 0.000 0.220 56 D C -0.503 175.794 176.300 -0.005 0.000 1.236 56 D CA -0.362 53.639 54.000 0.002 0.000 0.838 56 D CB 1.713 42.514 40.800 0.003 0.000 1.647 56 D HN -0.148 nan 8.370 nan 0.000 0.486 57 L N 1.662 122.886 121.223 0.002 0.000 2.858 57 L HA 0.089 4.429 4.340 -0.000 0.000 0.251 57 L C 1.673 178.556 176.870 0.022 0.000 1.149 57 L CA 0.121 54.962 54.840 0.001 0.000 0.955 57 L CB 0.440 42.507 42.059 0.013 0.000 1.289 57 L HN 0.308 nan 8.230 nan 0.000 0.542 58 S N -1.357 114.365 115.700 0.036 0.000 2.535 58 S HA 0.185 4.654 4.470 -0.000 0.000 0.214 58 S C 0.896 175.594 174.600 0.162 0.000 0.980 58 S CA -0.475 57.785 58.200 0.100 0.000 0.907 58 S CB 0.126 63.367 63.200 0.069 0.000 0.790 58 S HN 0.113 nan 8.310 nan 0.000 0.510 59 R N 1.538 122.053 120.500 0.025 0.000 2.357 59 R HA 0.618 4.958 4.340 -0.000 0.000 0.296 59 R C -1.304 175.013 176.300 0.028 0.000 1.052 59 R CA -0.653 55.386 56.100 -0.101 0.000 0.988 59 R CB 0.165 30.099 30.300 -0.610 0.000 1.025 59 R HN 0.396 nan 8.270 nan 0.000 0.469 60 F N 1.185 121.177 119.950 0.071 0.000 2.651 60 F HA 0.115 4.642 4.527 -0.000 0.000 0.327 60 F C -1.065 174.902 175.800 0.278 0.000 1.133 60 F CA -1.460 56.556 58.000 0.026 0.000 1.076 60 F CB 1.594 40.424 39.000 -0.284 0.000 1.315 60 F HN 0.416 nan 8.300 nan 0.000 0.499 61 D N 5.022 125.298 120.400 -0.206 0.000 2.619 61 D HA 0.370 5.009 4.640 -0.000 0.000 0.224 61 D C 1.196 177.152 176.300 -0.573 0.000 1.133 61 D CA 0.724 54.639 54.000 -0.142 0.000 1.017 61 D CB 0.968 41.803 40.800 0.059 0.000 1.077 61 D HN 0.704 nan 8.370 nan 0.000 0.503 62 A N 1.927 124.302 122.820 -0.743 0.000 1.917 62 A HA -0.239 4.080 4.320 -0.000 0.000 0.219 62 A C 2.252 179.626 177.584 -0.349 0.000 1.182 62 A CA 2.176 53.730 52.037 -0.804 0.000 0.633 62 A CB -0.443 18.206 19.000 -0.584 0.000 0.819 62 A HN 0.542 nan 8.150 nan 0.000 0.448 63 S N -1.539 114.069 115.700 -0.154 0.000 2.406 63 S HA -0.121 4.349 4.470 -0.000 0.000 0.228 63 S C 1.781 176.308 174.600 -0.123 0.000 1.020 63 S CA 1.196 59.334 58.200 -0.103 0.000 0.965 63 S CB -0.704 62.487 63.200 -0.015 0.000 0.798 63 S HN 0.526 nan 8.310 nan 0.000 0.488 64 F N 2.094 121.862 119.950 -0.303 0.000 2.171 64 F HA 0.096 4.623 4.527 -0.000 0.000 0.300 64 F C 1.254 176.669 175.800 -0.641 0.000 1.090 64 F CA 0.886 58.621 58.000 -0.441 0.000 1.293 64 F CB -0.411 38.259 39.000 -0.549 0.000 1.013 64 F HN 0.183 nan 8.300 nan 0.000 0.486 65 F N 0.609 120.313 119.950 -0.411 0.000 2.773 65 F HA 0.288 4.815 4.527 -0.000 0.000 0.304 65 F C 1.848 177.460 175.800 -0.314 0.000 1.129 65 F CA 0.533 58.124 58.000 -0.682 0.000 1.378 65 F CB -0.623 37.970 39.000 -0.679 0.000 1.095 65 F HN 0.100 nan 8.300 nan 0.000 0.565 66 G N 0.868 109.571 108.800 -0.160 0.000 2.198 66 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.260 66 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.260 66 G C -0.160 174.624 174.900 -0.193 0.000 1.025 66 G CA 0.179 45.195 45.100 -0.141 0.000 0.769 66 G HN 0.181 nan 8.290 nan 0.000 0.507 67 V N 2.460 122.258 119.914 -0.192 0.000 2.370 67 V HA 0.379 4.499 4.120 -0.000 0.000 0.279 67 V C 0.773 176.703 176.094 -0.274 0.000 1.029 67 V CA -1.308 60.881 62.300 -0.185 0.000 0.870 67 V CB 1.148 32.955 31.823 -0.026 0.000 0.984 67 V HN 0.364 nan 8.190 nan 0.000 0.451 68 H N 5.865 124.892 119.070 -0.071 0.000 2.771 68 H HA 0.122 4.678 4.556 -0.000 0.000 0.364 68 H C -1.544 173.744 175.328 -0.067 0.000 1.133 68 H CA -1.671 54.343 56.048 -0.056 0.000 1.423 68 H CB 0.901 30.622 29.762 -0.069 0.000 1.425 68 H HN 0.365 nan 8.280 nan 0.000 0.606 69 P HA -0.170 nan 4.420 nan 0.000 0.216 69 P C 1.408 178.853 177.300 0.242 0.000 1.150 69 P CA 1.632 64.892 63.100 0.266 0.000 0.843 69 P CB 0.345 32.300 31.700 0.424 0.000 0.787 70 K N -0.610 119.895 120.400 0.176 0.000 2.097 70 K HA -0.168 4.152 4.320 -0.000 0.000 0.206 70 K C 2.086 178.736 176.600 0.084 0.000 1.049 70 K CA 1.509 57.888 56.287 0.153 0.000 0.933 70 K CB -0.456 32.034 32.500 -0.018 0.000 0.717 70 K HN 0.195 nan 8.250 nan 0.000 0.442 71 Q N 0.136 119.884 119.800 -0.087 0.000 2.137 71 Q HA 0.034 4.374 4.340 -0.000 0.000 0.198 71 Q C 1.993 177.954 176.000 -0.064 0.000 0.960 71 Q CA 1.318 57.078 55.803 -0.071 0.000 0.847 71 Q CB -0.303 28.357 28.738 -0.130 0.000 0.915 71 Q HN 0.328 nan 8.270 nan 0.000 0.448 72 A N 0.310 123.006 122.820 -0.207 0.000 1.908 72 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 72 A C 1.703 179.109 177.584 -0.297 0.000 1.181 72 A CA 1.574 53.318 52.037 -0.488 0.000 0.627 72 A CB -0.711 17.508 19.000 -1.303 0.000 0.818 72 A HN 0.382 nan 8.150 nan 0.000 0.445 73 H N -0.045 119.066 119.070 0.068 0.000 2.491 73 H HA -0.046 4.510 4.556 -0.000 0.000 0.290 73 H C 1.540 176.939 175.328 0.119 0.000 1.050 73 H CA 1.747 57.932 56.048 0.227 0.000 1.309 73 H CB -0.162 29.777 29.762 0.295 0.000 1.392 73 H HN 0.646 nan 8.280 nan 0.000 0.554 74 T N -2.452 112.225 114.554 0.204 0.000 3.214 74 T HA 0.326 4.676 4.350 -0.000 0.000 0.264 74 T C 0.569 175.299 174.700 0.051 0.000 1.012 74 T CA -0.278 61.909 62.100 0.145 0.000 0.901 74 T CB -0.047 68.952 68.868 0.217 0.000 1.070 74 T HN -0.058 nan 8.240 nan 0.000 0.561 75 M N 2.190 121.768 119.600 -0.036 0.000 2.363 75 M HA 0.359 4.838 4.480 -0.000 0.000 0.343 75 M C -0.146 176.080 176.300 -0.123 0.000 1.165 75 M CA -0.847 54.377 55.300 -0.126 0.000 1.046 75 M CB 1.309 33.737 32.600 -0.288 0.000 1.648 75 M HN 0.058 nan 8.290 nan 0.000 0.452 76 D N 3.606 123.940 120.400 -0.110 0.000 2.458 76 D HA 0.040 4.680 4.640 -0.000 0.000 0.243 76 D C -1.842 174.373 176.300 -0.142 0.000 1.146 76 D CA -1.302 52.650 54.000 -0.080 0.000 0.877 76 D CB 1.248 42.013 40.800 -0.058 0.000 1.176 76 D HN 0.242 nan 8.370 nan 0.000 0.461 77 P HA -0.124 nan 4.420 nan 0.000 0.219 77 P C 1.130 178.341 177.300 -0.149 0.000 1.146 77 P CA 1.179 64.202 63.100 -0.129 0.000 0.808 77 P CB 0.232 31.906 31.700 -0.045 0.000 0.779 78 Q N -1.048 118.692 119.800 -0.101 0.000 2.084 78 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 78 Q C 2.013 177.931 176.000 -0.137 0.000 0.978 78 Q CA 1.091 56.842 55.803 -0.088 0.000 0.844 78 Q CB -0.748 27.963 28.738 -0.045 0.000 0.898 78 Q HN 0.199 nan 8.270 nan 0.000 0.426 79 L N 0.846 121.960 121.223 -0.181 0.000 2.072 79 L HA -0.119 4.221 4.340 -0.000 0.000 0.205 79 L C 2.102 178.722 176.870 -0.416 0.000 1.079 79 L CA 1.612 56.313 54.840 -0.233 0.000 0.752 79 L CB -0.292 41.637 42.059 -0.217 0.000 0.906 79 L HN 0.007 nan 8.230 nan 0.000 0.436 80 R N -0.632 119.497 120.500 -0.617 0.000 2.083 80 R HA -0.157 4.183 4.340 -0.000 0.000 0.237 80 R C 2.259 178.215 176.300 -0.573 0.000 1.137 80 R CA 1.890 57.329 56.100 -1.101 0.000 0.951 80 R CB -0.654 28.921 30.300 -1.208 0.000 0.851 80 R HN 0.392 nan 8.270 nan 0.000 0.434 81 L N 0.262 121.293 121.223 -0.319 0.000 2.056 81 L HA -0.162 4.178 4.340 -0.000 0.000 0.207 81 L C 2.414 179.212 176.870 -0.119 0.000 1.078 81 L CA 0.578 55.321 54.840 -0.162 0.000 0.749 81 L CB -0.401 41.599 42.059 -0.098 0.000 0.901 81 L HN 0.179 nan 8.230 nan 0.000 0.433 82 L N -0.046 121.103 121.223 -0.124 0.000 2.093 82 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 82 L C 2.330 179.190 176.870 -0.015 0.000 1.085 82 L CA 1.578 56.393 54.840 -0.041 0.000 0.755 82 L CB -0.424 41.620 42.059 -0.026 0.000 0.904 82 L HN 0.090 nan 8.230 nan 0.000 0.435 83 L N -0.724 120.396 121.223 -0.172 0.000 2.012 83 L HA -0.259 4.081 4.340 -0.000 0.000 0.210 83 L C 2.509 179.327 176.870 -0.087 0.000 1.073 83 L CA 1.747 56.434 54.840 -0.254 0.000 0.748 83 L CB -0.487 41.018 42.059 -0.923 0.000 0.891 83 L HN 0.352 nan 8.230 nan 0.000 0.431 84 E N -0.862 119.211 120.200 -0.212 0.000 2.107 84 E HA -0.160 4.190 4.350 -0.000 0.000 0.191 84 E C 2.248 179.054 176.600 0.343 0.000 0.982 84 E CA 1.078 57.476 56.400 -0.003 0.000 0.809 84 E CB -0.025 29.429 29.700 -0.411 0.000 0.756 84 E HN 0.272 nan 8.360 nan 0.000 0.459 85 V N 1.274 121.316 119.914 0.213 0.000 2.515 85 V HA -0.216 3.904 4.120 -0.000 0.000 0.250 85 V C 2.235 178.488 176.094 0.265 0.000 1.058 85 V CA 1.945 64.384 62.300 0.231 0.000 1.064 85 V CB -0.550 31.348 31.823 0.126 0.000 0.675 85 V HN 0.322 nan 8.190 nan 0.000 0.461 86 T N -1.040 113.682 114.554 0.280 0.000 2.777 86 T HA -0.208 4.142 4.350 -0.000 0.000 0.266 86 T C 1.755 176.635 174.700 0.300 0.000 1.040 86 T CA 1.886 64.123 62.100 0.228 0.000 1.141 86 T CB -0.340 68.644 68.868 0.193 0.000 0.868 86 T HN 0.556 nan 8.240 nan 0.000 0.444 87 Y N 1.985 122.628 120.300 0.572 0.000 2.145 87 Y HA -0.159 4.390 4.550 -0.000 0.000 0.286 87 Y C 2.313 178.488 175.900 0.459 0.000 1.145 87 Y CA 1.564 60.091 58.100 0.712 0.000 1.148 87 Y CB -0.189 38.899 38.460 1.046 0.000 0.981 87 Y HN 0.297 nan 8.280 nan 0.000 0.507 88 E N -0.256 120.311 120.200 0.613 0.000 2.110 88 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 88 E C 2.319 179.054 176.600 0.226 0.000 0.988 88 E CA 0.945 57.594 56.400 0.416 0.000 0.804 88 E CB -0.302 29.657 29.700 0.432 0.000 0.745 88 E HN 0.572 nan 8.360 nan 0.000 0.458 89 A N 0.956 123.892 122.820 0.193 0.000 1.898 89 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 89 A C 2.152 179.783 177.584 0.078 0.000 1.181 89 A CA 1.011 53.126 52.037 0.130 0.000 0.620 89 A CB -0.480 18.584 19.000 0.108 0.000 0.819 89 A HN 0.124 nan 8.150 nan 0.000 0.442 90 I N 0.287 120.871 120.570 0.023 0.000 2.163 90 I HA -0.214 3.956 4.170 -0.000 0.000 0.240 90 I C 2.513 178.601 176.117 -0.048 0.000 1.081 90 I CA 1.580 62.861 61.300 -0.032 0.000 1.353 90 I CB -0.439 37.513 38.000 -0.079 0.000 1.054 90 I HN 0.311 nan 8.210 nan 0.000 0.407 91 V N -1.271 118.588 119.914 -0.092 0.000 2.594 91 V HA -0.268 3.852 4.120 -0.000 0.000 0.253 91 V C 1.971 178.071 176.094 0.011 0.000 1.069 91 V CA 2.256 64.521 62.300 -0.058 0.000 1.082 91 V CB -0.933 30.856 31.823 -0.057 0.000 0.680 91 V HN 0.417 nan 8.190 nan 0.000 0.469 92 D N 1.946 122.384 120.400 0.063 0.000 2.182 92 D HA -0.064 4.576 4.640 -0.000 0.000 0.201 92 D C 2.014 178.353 176.300 0.065 0.000 0.986 92 D CA 1.641 55.705 54.000 0.107 0.000 0.847 92 D CB -0.603 40.301 40.800 0.174 0.000 0.942 92 D HN 0.542 nan 8.370 nan 0.000 0.467 93 G N -1.580 107.236 108.800 0.026 0.000 2.920 93 G HA2 0.240 4.199 3.960 -0.000 0.000 0.208 93 G HA3 0.240 4.199 3.960 -0.000 0.000 0.208 93 G C 1.133 175.974 174.900 -0.098 0.000 1.159 93 G CA 0.283 45.361 45.100 -0.038 0.000 0.784 93 G HN 0.571 nan 8.290 nan 0.000 0.535 94 G N -0.327 108.427 108.800 -0.075 0.000 2.160 94 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.251 94 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.251 94 G C 0.141 174.966 174.900 -0.125 0.000 1.008 94 G CA 0.301 45.336 45.100 -0.110 0.000 0.724 94 G HN 0.494 nan 8.290 nan 0.000 0.514 95 I N 0.300 120.814 120.570 -0.092 0.000 2.441 95 I HA 0.296 4.465 4.170 -0.000 0.000 0.295 95 I C 0.146 176.233 176.117 -0.050 0.000 0.994 95 I CA -1.139 60.115 61.300 -0.077 0.000 1.144 95 I CB 1.608 39.569 38.000 -0.066 0.000 1.314 95 I HN 0.082 nan 8.210 nan 0.000 0.445 96 N N 7.755 126.441 118.700 -0.023 0.000 2.430 96 N HA 0.196 4.936 4.740 -0.000 0.000 0.265 96 N C -1.973 173.559 175.510 0.037 0.000 1.100 96 N CA -1.854 51.202 53.050 0.010 0.000 0.961 96 N CB 1.614 40.120 38.487 0.032 0.000 1.075 96 N HN 0.239 nan 8.380 nan 0.000 0.478 97 P HA -0.086 nan 4.420 nan 0.000 0.221 97 P C 0.402 177.795 177.300 0.154 0.000 1.145 97 P CA 0.935 64.120 63.100 0.140 0.000 0.795 97 P CB 0.391 32.239 31.700 0.246 0.000 0.775 98 D N -0.922 119.543 120.400 0.110 0.000 2.178 98 D HA -0.126 4.514 4.640 -0.000 0.000 0.201 98 D C 1.960 178.294 176.300 0.057 0.000 0.980 98 D CA 1.585 55.621 54.000 0.061 0.000 0.842 98 D CB -0.621 40.205 40.800 0.042 0.000 0.948 98 D HN 0.253 nan 8.370 nan 0.000 0.472 99 S N -0.381 115.356 115.700 0.061 0.000 2.507 99 S HA -0.036 4.434 4.470 -0.000 0.000 0.235 99 S C 1.788 176.432 174.600 0.072 0.000 0.988 99 S CA 0.354 58.583 58.200 0.049 0.000 0.944 99 S CB -0.269 62.948 63.200 0.028 0.000 0.762 99 S HN 0.246 nan 8.310 nan 0.000 0.526 100 L N 0.174 121.476 121.223 0.131 0.000 2.640 100 L HA 0.321 4.661 4.340 -0.000 0.000 0.230 100 L C 0.861 177.887 176.870 0.260 0.000 1.123 100 L CA -0.325 54.632 54.840 0.195 0.000 0.900 100 L CB 0.021 42.255 42.059 0.291 0.000 1.146 100 L HN 0.071 nan 8.230 nan 0.000 0.484 101 R N 0.425 121.021 120.500 0.160 0.000 2.537 101 R HA 0.270 4.610 4.340 -0.000 0.000 0.280 101 R C 1.213 177.563 176.300 0.083 0.000 1.058 101 R CA 0.781 56.937 56.100 0.094 0.000 1.057 101 R CB 0.341 30.630 30.300 -0.019 0.000 0.973 101 R HN 0.250 nan 8.270 nan 0.000 0.438 102 G N 1.440 110.291 108.800 0.086 0.000 2.179 102 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.260 102 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.260 102 G C 0.396 175.355 174.900 0.099 0.000 0.977 102 G CA 0.605 45.746 45.100 0.069 0.000 0.641 102 G HN 0.740 nan 8.290 nan 0.000 0.533 103 T N -3.295 111.336 114.554 0.129 0.000 2.824 103 T HA 0.515 4.864 4.350 -0.000 0.000 0.277 103 T C 0.607 175.386 174.700 0.130 0.000 0.975 103 T CA 0.303 62.473 62.100 0.116 0.000 0.966 103 T CB 1.436 70.353 68.868 0.082 0.000 1.054 103 T HN 0.295 nan 8.240 nan 0.000 0.533 104 H N -0.119 118.963 119.070 0.020 0.000 2.770 104 H HA 0.306 4.862 4.556 -0.000 0.000 0.315 104 H C 0.206 175.517 175.328 -0.027 0.000 1.127 104 H CA 0.005 56.060 56.048 0.011 0.000 1.155 104 H CB -1.063 28.707 29.762 0.014 0.000 1.397 104 H HN 0.602 nan 8.280 nan 0.000 0.538 105 T N -0.003 114.476 114.554 -0.124 0.000 2.916 105 T HA 0.269 4.619 4.350 -0.000 0.000 0.303 105 T C 0.899 175.408 174.700 -0.319 0.000 1.025 105 T CA 0.390 62.301 62.100 -0.315 0.000 1.142 105 T CB 0.864 69.257 68.868 -0.792 0.000 0.947 105 T HN 0.600 nan 8.240 nan 0.000 0.544 106 G N 1.140 109.835 108.800 -0.175 0.000 2.461 106 G HA2 0.605 4.564 3.960 -0.000 0.000 0.329 106 G HA3 0.605 4.564 3.960 -0.000 0.000 0.329 106 G C -1.194 173.605 174.900 -0.170 0.000 1.170 106 G CA -0.534 44.430 45.100 -0.227 0.000 0.935 106 G HN 0.663 nan 8.290 nan 0.000 0.492 107 V N 0.860 120.531 119.914 -0.405 0.000 2.577 107 V HA 0.528 4.648 4.120 -0.000 0.000 0.303 107 V C -1.151 174.787 176.094 -0.261 0.000 1.042 107 V CA -0.681 61.556 62.300 -0.105 0.000 0.872 107 V CB 1.863 33.702 31.823 0.028 0.000 0.998 107 V HN 0.742 nan 8.190 nan 0.000 0.423 108 W N 3.930 125.256 121.300 0.043 0.000 2.715 108 W HA 0.665 5.324 4.660 -0.000 0.000 0.331 108 W C -1.248 175.298 176.519 0.044 0.000 1.031 108 W CA -0.597 56.773 57.345 0.042 0.000 1.237 108 W CB 2.343 31.825 29.460 0.036 0.000 1.378 108 W HN 0.287 nan 8.180 nan 0.000 0.454 109 V N 2.267 122.306 119.914 0.209 0.000 2.448 109 V HA 0.559 4.679 4.120 -0.000 0.000 0.295 109 V C 0.470 176.640 176.094 0.126 0.000 1.025 109 V CA -0.685 61.701 62.300 0.143 0.000 0.859 109 V CB 1.660 33.538 31.823 0.092 0.000 0.988 109 V HN 0.626 nan 8.190 nan 0.000 0.431 110 G N 2.994 111.858 108.800 0.107 0.000 2.350 110 G HA2 0.539 4.499 3.960 -0.000 0.000 0.306 110 G HA3 0.539 4.499 3.960 -0.000 0.000 0.306 110 G C -0.916 174.022 174.900 0.063 0.000 1.094 110 G CA -0.266 44.884 45.100 0.085 0.000 0.953 110 G HN 0.734 nan 8.290 nan 0.000 0.420 111 V N 2.161 122.110 119.914 0.059 0.000 2.932 111 V HA 0.712 4.832 4.120 -0.000 0.000 0.307 111 V C 0.419 176.545 176.094 0.054 0.000 1.147 111 V CA 0.071 62.401 62.300 0.049 0.000 0.951 111 V CB 2.436 34.284 31.823 0.042 0.000 1.031 111 V HN 0.988 nan 8.190 nan 0.000 0.426 112 S N 3.204 118.940 115.700 0.060 0.000 2.687 112 S HA 0.500 4.970 4.470 -0.000 0.000 0.247 112 S C 0.512 175.159 174.600 0.080 0.000 1.050 112 S CA 0.318 58.564 58.200 0.077 0.000 1.063 112 S CB 0.639 63.904 63.200 0.109 0.000 1.039 112 S HN 1.584 nan 8.310 nan 0.000 0.580 113 G N -0.042 108.798 108.800 0.066 0.000 2.524 113 G HA2 0.568 4.528 3.960 -0.000 0.000 0.310 113 G HA3 0.568 4.528 3.960 -0.000 0.000 0.310 113 G C -0.798 174.130 174.900 0.046 0.000 1.279 113 G CA -0.572 44.564 45.100 0.059 0.000 0.974 113 G HN 0.107 nan 8.290 nan 0.000 0.484 114 S N 0.645 116.371 115.700 0.045 0.000 2.474 114 S HA 0.167 4.637 4.470 -0.000 0.000 0.224 114 S C 1.065 175.708 174.600 0.072 0.000 1.209 114 S CA -0.434 57.794 58.200 0.048 0.000 1.212 114 S CB 0.423 63.647 63.200 0.040 0.000 1.137 114 S HN 0.728 nan 8.310 nan 0.000 0.446 115 E N 0.714 120.962 120.200 0.079 0.000 2.110 115 E HA -0.110 4.240 4.350 -0.000 0.000 0.193 115 E C 1.602 178.375 176.600 0.288 0.000 0.988 115 E CA 1.451 57.930 56.400 0.131 0.000 0.804 115 E CB -0.059 29.647 29.700 0.010 0.000 0.745 115 E HN 0.375 nan 8.360 nan 0.000 0.458 116 T N 0.285 114.957 114.554 0.196 0.000 2.746 116 T HA -0.197 4.153 4.350 -0.000 0.000 0.267 116 T C 2.019 176.783 174.700 0.107 0.000 1.039 116 T CA 1.419 63.613 62.100 0.156 0.000 1.142 116 T CB -0.294 68.626 68.868 0.087 0.000 0.866 116 T HN 0.107 nan 8.240 nan 0.000 0.444 117 S N 0.527 116.278 115.700 0.085 0.000 2.383 117 S HA -0.159 4.311 4.470 -0.000 0.000 0.229 117 S C 2.075 176.716 174.600 0.068 0.000 1.030 117 S CA 1.492 59.725 58.200 0.055 0.000 1.002 117 S CB -0.271 62.954 63.200 0.041 0.000 0.829 117 S HN 0.571 nan 8.310 nan 0.000 0.467 118 E N 0.170 120.444 120.200 0.125 0.000 2.047 118 E HA -0.071 4.279 4.350 -0.000 0.000 0.191 118 E C 2.283 178.945 176.600 0.103 0.000 0.987 118 E CA 0.905 57.392 56.400 0.144 0.000 0.799 118 E CB -0.345 29.497 29.700 0.237 0.000 0.752 118 E HN 0.622 nan 8.360 nan 0.000 0.449 119 A N 1.030 123.907 122.820 0.096 0.000 1.908 119 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 119 A C 2.126 179.652 177.584 -0.097 0.000 1.181 119 A CA 1.132 53.070 52.037 -0.165 0.000 0.627 119 A CB -0.587 18.219 19.000 -0.322 0.000 0.818 119 A HN 0.273 nan 8.150 nan 0.000 0.445 120 L N 0.257 121.459 121.223 -0.034 0.000 2.478 120 L HA -0.037 4.303 4.340 -0.000 0.000 0.223 120 L C 2.006 178.852 176.870 -0.039 0.000 1.140 120 L CA 1.133 55.952 54.840 -0.035 0.000 0.842 120 L CB -0.127 41.923 42.059 -0.015 0.000 0.953 120 L HN 0.559 nan 8.230 nan 0.000 0.452 121 S N -0.999 114.686 115.700 -0.025 0.000 2.568 121 S HA 0.033 4.503 4.470 -0.000 0.000 0.232 121 S C 1.746 176.330 174.600 -0.026 0.000 0.975 121 S CA -0.654 57.530 58.200 -0.028 0.000 0.949 121 S CB -0.060 63.132 63.200 -0.014 0.000 0.829 121 S HN 0.451 nan 8.310 nan 0.000 0.479 122 R N 1.077 121.557 120.500 -0.033 0.000 2.148 122 R HA 0.041 4.381 4.340 -0.000 0.000 0.227 122 R C -0.217 176.063 176.300 -0.033 0.000 1.103 122 R CA 1.291 57.372 56.100 -0.032 0.000 0.983 122 R CB -0.380 29.889 30.300 -0.051 0.000 0.874 122 R HN 0.293 nan 8.270 nan 0.000 0.451 123 D N 1.245 121.622 120.400 -0.039 0.000 2.472 123 D HA 0.210 4.850 4.640 -0.000 0.000 0.234 123 D C -1.799 174.479 176.300 -0.036 0.000 1.088 123 D CA -2.727 51.252 54.000 -0.036 0.000 0.882 123 D CB 1.908 42.685 40.800 -0.039 0.000 1.037 123 D HN -0.055 nan 8.370 nan 0.000 0.520 124 P HA -0.106 nan 4.420 nan 0.000 0.218 124 P C 0.963 178.245 177.300 -0.031 0.000 1.149 124 P CA 0.895 63.977 63.100 -0.030 0.000 0.817 124 P CB 0.724 32.410 31.700 -0.023 0.000 0.785 125 E N -0.643 119.540 120.200 -0.028 0.000 2.107 125 E HA -0.086 4.263 4.350 -0.000 0.000 0.191 125 E C 1.793 178.374 176.600 -0.030 0.000 0.982 125 E CA 1.808 58.193 56.400 -0.025 0.000 0.809 125 E CB -0.237 29.451 29.700 -0.020 0.000 0.756 125 E HN 0.374 nan 8.360 nan 0.000 0.459 126 T N -1.142 113.390 114.554 -0.036 0.000 3.001 126 T HA 0.116 4.466 4.350 -0.000 0.000 0.251 126 T C 0.811 175.475 174.700 -0.061 0.000 1.040 126 T CA -0.497 61.578 62.100 -0.041 0.000 0.985 126 T CB -0.331 68.517 68.868 -0.033 0.000 1.011 126 T HN 0.007 nan 8.240 nan 0.000 0.509 127 L N 2.567 123.748 121.223 -0.069 0.000 2.499 127 L HA 0.629 4.968 4.340 -0.000 0.000 0.281 127 L C -0.042 176.739 176.870 -0.150 0.000 1.234 127 L CA -1.087 53.694 54.840 -0.098 0.000 0.839 127 L CB -0.041 41.969 42.059 -0.082 0.000 1.104 127 L HN 0.140 nan 8.230 nan 0.000 0.500 128 V N -0.163 119.605 119.914 -0.244 0.000 2.715 128 V HA 0.755 4.875 4.120 -0.000 0.000 0.310 128 V C 1.142 176.981 176.094 -0.425 0.000 1.054 128 V CA -0.049 61.992 62.300 -0.430 0.000 0.928 128 V CB 0.826 32.147 31.823 -0.838 0.000 1.007 128 V HN 1.002 nan 8.190 nan 0.000 0.437 129 G N 2.068 110.655 108.800 -0.354 0.000 2.440 129 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.218 129 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.218 129 G C 1.012 175.823 174.900 -0.148 0.000 1.154 129 G CA 1.555 46.545 45.100 -0.183 0.000 0.767 129 G HN 1.197 nan 8.290 nan 0.000 0.552 130 Y N 1.777 122.072 120.300 -0.008 0.000 2.651 130 Y HA 0.053 4.603 4.550 -0.000 0.000 0.296 130 Y C 2.572 178.461 175.900 -0.018 0.000 1.150 130 Y CA 0.610 58.701 58.100 -0.014 0.000 1.348 130 Y CB -0.911 37.546 38.460 -0.006 0.000 0.983 130 Y HN 0.239 nan 8.280 nan 0.000 0.555 131 S N -0.411 115.245 115.700 -0.073 0.000 2.453 131 S HA -0.212 4.258 4.470 -0.000 0.000 0.231 131 S C 1.797 176.394 174.600 -0.005 0.000 1.005 131 S CA 0.955 59.148 58.200 -0.012 0.000 0.949 131 S CB -0.430 62.733 63.200 -0.060 0.000 0.774 131 S HN 0.561 nan 8.310 nan 0.000 0.510 132 M N 2.016 121.607 119.600 -0.016 0.000 2.200 132 M HA 0.145 4.625 4.480 -0.000 0.000 0.265 132 M C 1.795 178.091 176.300 -0.007 0.000 1.066 132 M CA 1.268 56.561 55.300 -0.013 0.000 1.127 132 M CB -0.513 32.076 32.600 -0.018 0.000 1.379 132 M HN 0.154 nan 8.290 nan 0.000 0.420 133 V N 0.002 119.920 119.914 0.007 0.000 2.759 133 V HA -0.066 4.054 4.120 -0.000 0.000 0.256 133 V C 2.192 178.269 176.094 -0.027 0.000 1.080 133 V CA 1.734 64.026 62.300 -0.013 0.000 1.101 133 V CB -1.333 30.488 31.823 -0.003 0.000 0.698 133 V HN 0.717 nan 8.190 nan 0.000 0.477 134 G N -2.674 106.120 108.800 -0.011 0.000 3.126 134 G HA2 0.004 3.964 3.960 -0.000 0.000 0.224 134 G HA3 0.004 3.964 3.960 -0.000 0.000 0.224 134 G C 1.050 175.921 174.900 -0.048 0.000 1.142 134 G CA 0.904 45.978 45.100 -0.044 0.000 0.759 134 G HN 0.545 nan 8.290 nan 0.000 0.550 135 C N -0.616 118.670 119.300 -0.025 0.000 3.836 135 C HA 0.275 4.735 4.460 -0.000 0.000 0.470 135 C C 0.757 175.743 174.990 -0.007 0.000 1.496 135 C CA -0.774 58.235 59.018 -0.016 0.000 2.135 135 C CB -0.062 27.679 27.740 0.001 0.000 3.162 135 C HN 0.487 nan 8.230 nan 0.000 0.666 136 Q N 2.058 121.853 119.800 -0.008 0.000 2.330 136 Q HA 0.124 4.464 4.340 -0.000 0.000 0.279 136 Q C 1.214 177.213 176.000 -0.002 0.000 1.024 136 Q CA 0.667 56.468 55.803 -0.003 0.000 0.900 136 Q CB 0.395 29.129 28.738 -0.007 0.000 1.221 136 Q HN 0.395 nan 8.270 nan 0.000 0.396 137 R N 2.955 123.459 120.500 0.007 0.000 2.119 137 R HA -0.270 4.070 4.340 -0.000 0.000 0.246 137 R C 1.720 178.025 176.300 0.008 0.000 1.146 137 R CA 1.859 57.965 56.100 0.011 0.000 0.962 137 R CB -0.644 29.667 30.300 0.019 0.000 0.863 137 R HN 0.882 nan 8.270 nan 0.000 0.442 138 A N 0.258 123.081 122.820 0.004 0.000 2.024 138 A HA -0.168 4.151 4.320 -0.000 0.000 0.220 138 A C 2.013 179.596 177.584 -0.001 0.000 1.164 138 A CA 1.305 53.343 52.037 0.001 0.000 0.643 138 A CB -0.290 18.708 19.000 -0.003 0.000 0.806 138 A HN 0.219 nan 8.150 nan 0.000 0.451 139 M N -0.960 118.636 119.600 -0.007 0.000 2.296 139 M HA -0.056 4.423 4.480 -0.000 0.000 0.265 139 M C 1.839 178.139 176.300 -0.001 0.000 1.064 139 M CA 0.988 56.282 55.300 -0.011 0.000 1.109 139 M CB -1.090 31.493 32.600 -0.029 0.000 1.396 139 M HN 0.343 nan 8.290 nan 0.000 0.430 140 M N -0.420 119.179 119.600 -0.000 0.000 2.267 140 M HA -0.111 4.368 4.480 -0.000 0.000 0.263 140 M C 2.132 178.452 176.300 0.034 0.000 1.063 140 M CA 1.599 56.903 55.300 0.005 0.000 1.090 140 M CB -1.495 31.111 32.600 0.010 0.000 1.392 140 M HN 0.309 nan 8.290 nan 0.000 0.422 141 A N -0.099 122.741 122.820 0.034 0.000 1.944 141 A HA 0.037 4.357 4.320 -0.000 0.000 0.207 141 A C 1.919 179.543 177.584 0.067 0.000 1.265 141 A CA 0.637 52.702 52.037 0.046 0.000 0.712 141 A CB -0.604 18.395 19.000 -0.002 0.000 0.915 141 A HN 0.500 nan 8.150 nan 0.000 0.470 142 N N -0.317 118.409 118.700 0.043 0.000 2.149 142 N HA -0.147 4.593 4.740 -0.000 0.000 0.188 142 N C 1.770 177.354 175.510 0.123 0.000 1.019 142 N CA 0.850 53.938 53.050 0.062 0.000 0.857 142 N CB -0.084 38.417 38.487 0.022 0.000 0.997 142 N HN 0.207 nan 8.380 nan 0.000 0.426 143 R N 0.966 121.527 120.500 0.102 0.000 2.148 143 R HA 0.021 4.361 4.340 -0.000 0.000 0.223 143 R C 2.104 178.563 176.300 0.266 0.000 1.088 143 R CA 0.517 56.707 56.100 0.150 0.000 0.985 143 R CB -0.600 29.729 30.300 0.049 0.000 0.880 143 R HN 0.369 nan 8.270 nan 0.000 0.451 144 L N -0.008 121.370 121.223 0.259 0.000 2.072 144 L HA -0.085 4.255 4.340 -0.000 0.000 0.205 144 L C 2.262 179.375 176.870 0.405 0.000 1.079 144 L CA 1.168 56.264 54.840 0.426 0.000 0.752 144 L CB -0.575 41.718 42.059 0.390 0.000 0.906 144 L HN 0.083 nan 8.230 nan 0.000 0.436 145 S N 0.067 115.941 115.700 0.291 0.000 2.382 145 S HA -0.187 4.283 4.470 -0.000 0.000 0.228 145 S C 1.768 176.457 174.600 0.148 0.000 1.027 145 S CA 1.334 59.675 58.200 0.234 0.000 0.991 145 S CB -0.395 62.916 63.200 0.185 0.000 0.823 145 S HN 0.332 nan 8.310 nan 0.000 0.469 146 F N 1.659 121.643 119.950 0.058 0.000 2.075 146 F HA -0.094 4.433 4.527 -0.000 0.000 0.297 146 F C 1.915 177.694 175.800 -0.034 0.000 1.113 146 F CA 1.281 59.292 58.000 0.018 0.000 1.218 146 F CB -0.636 38.388 39.000 0.040 0.000 0.984 146 F HN 0.219 nan 8.300 nan 0.000 0.472 147 F N -0.010 119.858 119.950 -0.136 0.000 2.102 147 F HA -0.164 4.362 4.527 -0.000 0.000 0.298 147 F C 1.777 177.237 175.800 -0.567 0.000 1.105 147 F CA 1.644 59.407 58.000 -0.395 0.000 1.239 147 F CB -0.947 37.881 39.000 -0.286 0.000 0.991 147 F HN -0.047 nan 8.300 nan 0.000 0.474 148 F N 0.565 120.204 119.950 -0.519 0.000 2.748 148 F HA 0.072 4.599 4.527 -0.000 0.000 0.299 148 F C 0.901 176.195 175.800 -0.843 0.000 1.154 148 F CA 0.923 58.397 58.000 -0.877 0.000 1.446 148 F CB -0.834 37.334 39.000 -1.387 0.000 1.112 148 F HN -0.025 nan 8.300 nan 0.000 0.584 149 D N -0.105 120.026 120.400 -0.447 0.000 2.699 149 D HA -0.241 4.399 4.640 -0.000 0.000 0.239 149 D C -0.882 175.436 176.300 0.029 0.000 1.136 149 D CA 0.325 54.189 54.000 -0.226 0.000 0.668 149 D CB -1.461 39.204 40.800 -0.225 0.000 1.060 149 D HN -0.056 nan 8.370 nan 0.000 0.429 150 F N 0.139 120.112 119.950 0.039 0.000 2.404 150 F HA 0.432 4.959 4.527 -0.000 0.000 0.345 150 F C 1.895 177.668 175.800 -0.045 0.000 1.110 150 F CA -0.737 57.268 58.000 0.008 0.000 1.130 150 F CB 1.135 40.149 39.000 0.023 0.000 1.129 150 F HN -0.062 nan 8.300 nan 0.000 0.500 151 R N 1.311 121.867 120.500 0.094 0.000 2.437 151 R HA 0.237 4.577 4.340 -0.000 0.000 0.257 151 R C 0.913 176.992 176.300 -0.367 0.000 0.927 151 R CA -0.036 56.039 56.100 -0.042 0.000 1.078 151 R CB 0.438 30.770 30.300 0.054 0.000 1.161 151 R HN 0.765 nan 8.270 nan 0.000 0.529 152 G N 2.483 110.962 108.800 -0.535 0.000 2.516 152 G HA2 0.273 4.233 3.960 -0.000 0.000 0.276 152 G HA3 0.273 4.233 3.960 -0.000 0.000 0.276 152 G C -2.382 172.236 174.900 -0.471 0.000 1.390 152 G CA -0.907 43.648 45.100 -0.909 0.000 1.050 152 G HN -0.101 nan 8.290 nan 0.000 0.519 153 P HA 0.204 nan 4.420 nan 0.000 0.267 153 P C -0.522 176.427 177.300 -0.586 0.000 1.200 153 P CA 0.159 63.003 63.100 -0.427 0.000 0.772 153 P CB 1.136 32.572 31.700 -0.440 0.000 0.855 154 S N 2.397 117.849 115.700 -0.414 0.000 2.746 154 S HA 0.621 5.090 4.470 -0.000 0.000 0.273 154 S C -1.001 173.438 174.600 -0.268 0.000 1.172 154 S CA -0.570 57.438 58.200 -0.321 0.000 1.116 154 S CB -0.575 62.548 63.200 -0.127 0.000 1.057 154 S HN 0.224 nan 8.310 nan 0.000 0.483 155 I N 3.239 123.605 120.570 -0.340 0.000 2.619 155 I HA 0.615 4.785 4.170 -0.000 0.000 0.292 155 I C -0.183 175.903 176.117 -0.051 0.000 1.100 155 I CA -0.974 60.215 61.300 -0.185 0.000 1.043 155 I CB 2.165 40.033 38.000 -0.219 0.000 1.239 155 I HN 0.642 nan 8.210 nan 0.000 0.420 156 A N 6.819 129.643 122.820 0.006 0.000 2.276 156 A HA 0.886 5.205 4.320 -0.000 0.000 0.316 156 A C -0.818 176.808 177.584 0.070 0.000 1.229 156 A CA -0.391 51.674 52.037 0.046 0.000 0.851 156 A CB 0.751 19.769 19.000 0.031 0.000 1.165 156 A HN 0.616 nan 8.150 nan 0.000 0.513 157 L N -0.383 120.898 121.223 0.097 0.000 2.354 157 L HA 0.929 5.269 4.340 -0.000 0.000 0.264 157 L C -0.910 176.004 176.870 0.072 0.000 1.008 157 L CA -0.700 54.197 54.840 0.095 0.000 0.819 157 L CB 2.090 44.230 42.059 0.137 0.000 1.339 157 L HN 0.391 nan 8.230 nan 0.000 0.420 158 D N 0.517 120.950 120.400 0.054 0.000 2.620 158 D HA 0.467 5.106 4.640 -0.000 0.000 0.252 158 D C -0.363 175.946 176.300 0.015 0.000 1.207 158 D CA 0.053 54.076 54.000 0.038 0.000 0.884 158 D CB 1.971 42.791 40.800 0.033 0.000 1.262 158 D HN 0.859 nan 8.370 nan 0.000 0.552 159 T N 1.142 115.699 114.554 0.005 0.000 3.442 159 T HA 0.630 4.980 4.350 -0.000 0.000 0.295 159 T C 0.854 175.518 174.700 -0.060 0.000 1.007 159 T CA 0.462 62.545 62.100 -0.028 0.000 0.962 159 T CB 0.072 68.938 68.868 -0.004 0.000 1.187 159 T HN 0.680 nan 8.240 nan 0.000 0.490 160 A N 0.834 123.623 122.820 -0.053 0.000 5.471 160 A HA -0.293 4.027 4.320 -0.000 0.000 0.292 160 A C 1.960 179.581 177.584 0.061 0.000 2.024 160 A CA 0.924 52.943 52.037 -0.029 0.000 0.716 160 A CB -2.107 16.707 19.000 -0.311 0.000 1.221 160 A HN 1.060 nan 8.150 nan 0.000 0.364 161 C N 0.363 119.742 119.300 0.132 0.000 2.403 161 C HA 0.045 4.504 4.460 -0.000 0.000 0.279 161 C C 2.922 177.989 174.990 0.128 0.000 1.269 161 C CA 1.853 60.983 59.018 0.187 0.000 1.774 161 C CB -1.937 26.032 27.740 0.382 0.000 1.993 161 C HN 1.528 nan 8.230 nan 0.000 0.496 162 S N 0.722 116.458 115.700 0.059 0.000 2.631 162 S HA 0.020 4.489 4.470 -0.000 0.000 0.217 162 S C 1.352 175.971 174.600 0.032 0.000 0.958 162 S CA 0.714 58.929 58.200 0.026 0.000 0.920 162 S CB -0.435 62.770 63.200 0.008 0.000 0.776 162 S HN 0.582 nan 8.310 nan 0.000 0.517 163 S N 2.970 118.696 115.700 0.043 0.000 2.365 163 S HA -0.165 4.305 4.470 -0.000 0.000 0.225 163 S C 2.337 176.969 174.600 0.054 0.000 1.039 163 S CA 1.778 60.007 58.200 0.048 0.000 1.033 163 S CB -0.642 62.590 63.200 0.053 0.000 0.887 163 S HN 0.920 nan 8.310 nan 0.000 0.447 164 S N 1.092 116.822 115.700 0.050 0.000 2.406 164 S HA 0.076 4.546 4.470 -0.000 0.000 0.228 164 S C 1.741 176.360 174.600 0.032 0.000 1.020 164 S CA 0.510 58.739 58.200 0.049 0.000 0.965 164 S CB -0.384 62.843 63.200 0.044 0.000 0.798 164 S HN 0.279 nan 8.310 nan 0.000 0.488 165 L N 0.449 121.682 121.223 0.017 0.000 2.240 165 L HA 0.331 4.671 4.340 -0.000 0.000 0.211 165 L C 2.436 179.297 176.870 -0.015 0.000 1.106 165 L CA 1.356 56.191 54.840 -0.008 0.000 0.793 165 L CB -0.702 41.342 42.059 -0.024 0.000 0.927 165 L HN 0.379 nan 8.230 nan 0.000 0.446 166 M N -0.696 118.906 119.600 0.003 0.000 2.132 166 M HA -0.082 4.398 4.480 -0.000 0.000 0.263 166 M C 2.200 178.487 176.300 -0.023 0.000 1.065 166 M CA 2.013 57.313 55.300 0.000 0.000 1.122 166 M CB -0.547 32.068 32.600 0.025 0.000 1.365 166 M HN 0.207 nan 8.290 nan 0.000 0.411 167 A N -0.161 122.670 122.820 0.018 0.000 1.902 167 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 167 A C 2.145 179.667 177.584 -0.103 0.000 1.181 167 A CA 1.818 53.873 52.037 0.031 0.000 0.623 167 A CB -1.219 17.882 19.000 0.169 0.000 0.818 167 A HN 0.572 nan 8.150 nan 0.000 0.443 168 L N -0.501 120.692 121.223 -0.051 0.000 2.083 168 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 168 L C 2.492 179.299 176.870 -0.106 0.000 1.083 168 L CA 2.382 57.181 54.840 -0.067 0.000 0.752 168 L CB -0.503 41.536 42.059 -0.034 0.000 0.899 168 L HN 0.521 nan 8.230 nan 0.000 0.433 169 Q N -0.463 119.275 119.800 -0.104 0.000 2.079 169 Q HA -0.197 4.143 4.340 -0.000 0.000 0.200 169 Q C 1.897 177.826 176.000 -0.118 0.000 0.974 169 Q CA 1.736 57.495 55.803 -0.072 0.000 0.840 169 Q CB -0.099 28.606 28.738 -0.056 0.000 0.898 169 Q HN 0.574 nan 8.270 nan 0.000 0.430 170 N N 0.527 119.043 118.700 -0.307 0.000 2.188 170 N HA -0.065 4.675 4.740 -0.000 0.000 0.184 170 N C 1.561 176.505 175.510 -0.943 0.000 1.018 170 N CA 1.478 54.202 53.050 -0.544 0.000 0.858 170 N CB -0.421 37.642 38.487 -0.706 0.000 0.989 170 N HN 0.309 nan 8.380 nan 0.000 0.426 171 A N -0.014 122.163 122.820 -1.072 0.000 1.898 171 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 171 A C 2.135 179.491 177.584 -0.379 0.000 1.181 171 A CA 1.137 52.586 52.037 -0.980 0.000 0.620 171 A CB -1.052 17.670 19.000 -0.464 0.000 0.819 171 A HN 0.452 nan 8.150 nan 0.000 0.442 172 Y N 1.628 121.746 120.300 -0.304 0.000 2.128 172 Y HA -0.338 4.212 4.550 -0.000 0.000 0.284 172 Y C 2.636 178.474 175.900 -0.104 0.000 1.154 172 Y CA 2.494 60.499 58.100 -0.158 0.000 1.149 172 Y CB -0.504 37.873 38.460 -0.139 0.000 0.976 172 Y HN 0.599 nan 8.280 nan 0.000 0.505 173 Q N 0.026 119.701 119.800 -0.208 0.000 2.119 173 Q HA -0.105 4.235 4.340 -0.000 0.000 0.201 173 Q C 2.365 178.264 176.000 -0.169 0.000 0.972 173 Q CA 1.361 57.035 55.803 -0.216 0.000 0.847 173 Q CB -0.678 28.036 28.738 -0.041 0.000 0.903 173 Q HN 0.469 nan 8.270 nan 0.000 0.433 174 A N 1.367 124.079 122.820 -0.180 0.000 1.930 174 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 174 A C 2.113 179.673 177.584 -0.040 0.000 1.175 174 A CA 1.194 53.206 52.037 -0.043 0.000 0.627 174 A CB -0.503 18.537 19.000 0.067 0.000 0.815 174 A HN 0.385 nan 8.150 nan 0.000 0.443 175 I N -1.874 118.635 120.570 -0.101 0.000 2.277 175 I HA -0.163 4.007 4.170 -0.000 0.000 0.243 175 I C 2.468 178.519 176.117 -0.110 0.000 1.094 175 I CA 1.454 62.711 61.300 -0.073 0.000 1.393 175 I CB -0.444 37.520 38.000 -0.059 0.000 1.078 175 I HN 0.484 nan 8.210 nan 0.000 0.417 176 H N 1.325 120.188 119.070 -0.345 0.000 2.353 176 H HA -0.181 4.374 4.556 -0.000 0.000 0.298 176 H C 2.291 177.501 175.328 -0.197 0.000 1.103 176 H CA 1.976 57.807 56.048 -0.362 0.000 1.293 176 H CB -0.047 29.291 29.762 -0.706 0.000 1.372 176 H HN 0.333 nan 8.280 nan 0.000 0.501 177 S N -1.385 114.189 115.700 -0.210 0.000 2.603 177 S HA 0.165 4.635 4.470 -0.000 0.000 0.220 177 S C 1.781 176.305 174.600 -0.126 0.000 0.967 177 S CA 0.451 58.543 58.200 -0.181 0.000 0.920 177 S CB -0.180 62.974 63.200 -0.076 0.000 0.773 177 S HN 0.811 nan 8.310 nan 0.000 0.529 178 G N 1.279 110.014 108.800 -0.109 0.000 2.179 178 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.260 178 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.260 178 G C 0.664 175.549 174.900 -0.024 0.000 0.977 178 G CA 0.518 45.578 45.100 -0.067 0.000 0.641 178 G HN 0.588 nan 8.290 nan 0.000 0.533 179 Q N -0.712 119.092 119.800 0.007 0.000 2.119 179 Q HA 0.076 4.416 4.340 -0.000 0.000 0.201 179 Q C 0.880 176.966 176.000 0.144 0.000 0.972 179 Q CA 1.593 57.434 55.803 0.063 0.000 0.847 179 Q CB -0.002 28.804 28.738 0.113 0.000 0.903 179 Q HN 0.661 nan 8.270 nan 0.000 0.433 180 C N 0.735 120.116 119.300 0.136 0.000 2.563 180 C HA 0.404 4.863 4.460 -0.000 0.000 0.314 180 C C -1.621 173.408 174.990 0.065 0.000 1.199 180 C CA -1.352 57.758 59.018 0.154 0.000 1.564 180 C CB 1.897 29.751 27.740 0.190 0.000 2.173 180 C HN 0.390 nan 8.230 nan 0.000 0.485 181 P HA 0.127 nan 4.420 nan 0.000 0.230 181 P C 0.051 177.345 177.300 -0.011 0.000 1.168 181 P CA 0.980 64.085 63.100 0.008 0.000 0.793 181 P CB 0.566 32.270 31.700 0.006 0.000 0.851 182 A N -1.034 121.772 122.820 -0.025 0.000 2.599 182 A HA 0.759 5.079 4.320 -0.000 0.000 0.290 182 A C -1.780 175.769 177.584 -0.058 0.000 1.101 182 A CA -0.134 51.869 52.037 -0.056 0.000 0.674 182 A CB 1.258 20.193 19.000 -0.109 0.000 1.277 182 A HN 0.147 nan 8.150 nan 0.000 0.419 183 A N 0.117 122.907 122.820 -0.050 0.000 2.589 183 A HA 0.660 4.980 4.320 -0.000 0.000 0.296 183 A C -1.599 175.991 177.584 0.010 0.000 1.062 183 A CA -0.374 51.680 52.037 0.028 0.000 0.686 183 A CB 0.882 20.024 19.000 0.236 0.000 1.282 183 A HN 0.849 nan 8.150 nan 0.000 0.404 184 I N 1.797 122.391 120.570 0.041 0.000 2.359 184 I HA 0.493 4.663 4.170 -0.000 0.000 0.294 184 I C -0.464 175.761 176.117 0.180 0.000 0.987 184 I CA -0.560 60.790 61.300 0.082 0.000 1.225 184 I CB 1.332 39.389 38.000 0.095 0.000 1.366 184 I HN 0.337 nan 8.210 nan 0.000 0.466 185 V N 5.448 125.447 119.914 0.143 0.000 2.487 185 V HA 0.784 4.904 4.120 -0.000 0.000 0.298 185 V C 0.381 176.546 176.094 0.119 0.000 1.028 185 V CA -0.505 61.890 62.300 0.158 0.000 0.860 185 V CB 1.764 33.650 31.823 0.105 0.000 0.991 185 V HN 0.924 nan 8.190 nan 0.000 0.427 186 G N 2.260 111.136 108.800 0.126 0.000 2.533 186 G HA2 0.756 4.716 3.960 -0.000 0.000 0.304 186 G HA3 0.756 4.716 3.960 -0.000 0.000 0.304 186 G C -0.560 174.385 174.900 0.076 0.000 1.263 186 G CA -0.610 44.545 45.100 0.091 0.000 0.964 186 G HN 1.057 nan 8.290 nan 0.000 0.479 187 G N -0.093 108.737 108.800 0.050 0.000 2.707 187 G HA2 0.647 4.607 3.960 -0.000 0.000 0.299 187 G HA3 0.647 4.607 3.960 -0.000 0.000 0.299 187 G C -0.723 174.188 174.900 0.020 0.000 1.442 187 G CA -0.614 44.509 45.100 0.037 0.000 1.009 187 G HN 1.111 nan 8.290 nan 0.000 0.515 188 I N -0.489 120.092 120.570 0.019 0.000 2.619 188 I HA 0.766 4.936 4.170 -0.000 0.000 0.292 188 I C -1.535 174.586 176.117 0.006 0.000 1.100 188 I CA -1.225 60.078 61.300 0.006 0.000 1.043 188 I CB 2.857 40.859 38.000 0.003 0.000 1.239 188 I HN 0.347 nan 8.210 nan 0.000 0.420 189 N N 3.890 122.588 118.700 -0.003 0.000 2.406 189 N HA 0.726 5.466 4.740 -0.000 0.000 0.283 189 N C -1.516 173.995 175.510 0.002 0.000 1.074 189 N CA -0.454 52.597 53.050 0.002 0.000 0.916 189 N CB 2.623 41.103 38.487 -0.012 0.000 1.639 189 N HN 0.757 nan 8.380 nan 0.000 0.485 190 V N 0.189 120.115 119.914 0.020 0.000 2.962 190 V HA 0.669 4.789 4.120 -0.000 0.000 0.313 190 V C -0.830 175.297 176.094 0.056 0.000 1.099 190 V CA -0.922 61.393 62.300 0.025 0.000 0.971 190 V CB 2.011 33.850 31.823 0.027 0.000 1.028 190 V HN 0.510 nan 8.190 nan 0.000 0.430 191 L N 3.542 124.799 121.223 0.057 0.000 2.371 191 L HA 0.464 4.804 4.340 -0.000 0.000 0.262 191 L C 0.507 177.492 176.870 0.192 0.000 1.054 191 L CA -0.169 54.749 54.840 0.130 0.000 0.924 191 L CB 0.937 43.038 42.059 0.070 0.000 1.295 191 L HN 0.677 nan 8.230 nan 0.000 0.441 192 L N 0.763 122.105 121.223 0.198 0.000 2.316 192 L HA 0.199 4.538 4.340 -0.000 0.000 0.207 192 L C 1.069 178.082 176.870 0.238 0.000 1.070 192 L CA 0.356 55.353 54.840 0.261 0.000 0.820 192 L CB 0.148 42.373 42.059 0.278 0.000 0.992 192 L HN 0.418 nan 8.230 nan 0.000 0.466 193 K N 1.679 122.001 120.400 -0.131 0.000 2.281 193 K HA 0.216 4.535 4.320 -0.000 0.000 0.272 193 K C -1.833 174.582 176.600 -0.308 0.000 1.048 193 K CA -1.854 54.100 56.287 -0.556 0.000 0.898 193 K CB 1.699 33.562 32.500 -1.062 0.000 1.128 193 K HN -0.234 nan 8.250 nan 0.000 0.460 194 P HA -0.109 nan 4.420 nan 0.000 0.220 194 P C -0.023 176.997 177.300 -0.466 0.000 1.148 194 P CA 1.119 63.593 63.100 -1.044 0.000 0.803 194 P CB 0.187 31.188 31.700 -1.165 0.000 0.782 195 N N -0.389 118.134 118.700 -0.295 0.000 2.149 195 N HA -0.124 4.616 4.740 -0.000 0.000 0.188 195 N C 1.667 177.052 175.510 -0.208 0.000 1.019 195 N CA 1.806 54.709 53.050 -0.244 0.000 0.857 195 N CB -1.655 36.707 38.487 -0.209 0.000 0.997 195 N HN 0.155 nan 8.380 nan 0.000 0.426 196 T N -0.157 114.289 114.554 -0.181 0.000 2.720 196 T HA -0.087 4.263 4.350 -0.000 0.000 0.268 196 T C 2.024 176.720 174.700 -0.007 0.000 1.037 196 T CA 1.394 63.429 62.100 -0.107 0.000 1.144 196 T CB -0.401 68.456 68.868 -0.017 0.000 0.864 196 T HN 0.188 nan 8.240 nan 0.000 0.444 197 S N 0.658 116.384 115.700 0.042 0.000 2.402 197 S HA -0.058 4.412 4.470 -0.000 0.000 0.229 197 S C 2.292 176.923 174.600 0.052 0.000 1.021 197 S CA 0.577 58.867 58.200 0.149 0.000 0.974 197 S CB -0.395 62.898 63.200 0.155 0.000 0.800 197 S HN 0.289 nan 8.310 nan 0.000 0.484 198 V N 1.734 121.609 119.914 -0.065 0.000 2.343 198 V HA -0.227 3.893 4.120 -0.000 0.000 0.247 198 V C 2.453 178.486 176.094 -0.103 0.000 1.051 198 V CA 1.622 63.869 62.300 -0.088 0.000 1.036 198 V CB -0.735 30.987 31.823 -0.168 0.000 0.654 198 V HN 0.471 nan 8.190 nan 0.000 0.451 199 Q N -0.865 118.835 119.800 -0.166 0.000 2.077 199 Q HA -0.228 4.112 4.340 -0.000 0.000 0.206 199 Q C 2.173 178.032 176.000 -0.235 0.000 0.989 199 Q CA 2.165 57.821 55.803 -0.246 0.000 0.853 199 Q CB -0.256 28.253 28.738 -0.382 0.000 0.907 199 Q HN 0.607 nan 8.270 nan 0.000 0.418 200 F N 0.009 119.896 119.950 -0.105 0.000 2.186 200 F HA -0.173 4.353 4.527 -0.000 0.000 0.299 200 F C 2.047 177.759 175.800 -0.146 0.000 1.090 200 F CA 0.629 58.544 58.000 -0.141 0.000 1.307 200 F CB -0.537 38.373 39.000 -0.150 0.000 1.019 200 F HN 0.114 nan 8.300 nan 0.000 0.489 201 L N 0.545 121.806 121.223 0.063 0.000 2.012 201 L HA -0.184 4.155 4.340 -0.000 0.000 0.210 201 L C 2.360 179.220 176.870 -0.018 0.000 1.073 201 L CA 1.862 56.703 54.840 0.001 0.000 0.748 201 L CB -0.621 41.438 42.059 -0.000 0.000 0.891 201 L HN -0.025 nan 8.230 nan 0.000 0.431 202 R N -1.073 119.407 120.500 -0.035 0.000 2.189 202 R HA -0.031 4.309 4.340 -0.000 0.000 0.223 202 R C 2.166 178.445 176.300 -0.035 0.000 1.092 202 R CA 0.977 57.052 56.100 -0.042 0.000 0.989 202 R CB -0.255 30.008 30.300 -0.062 0.000 0.876 202 R HN 0.395 nan 8.270 nan 0.000 0.457 203 L N -0.825 120.378 121.223 -0.034 0.000 2.478 203 L HA 0.076 4.416 4.340 -0.000 0.000 0.223 203 L C 1.031 177.899 176.870 -0.003 0.000 1.140 203 L CA 0.639 55.466 54.840 -0.022 0.000 0.842 203 L CB 0.134 42.176 42.059 -0.028 0.000 0.953 203 L HN 0.498 nan 8.230 nan 0.000 0.452 204 G N -0.606 108.187 108.800 -0.010 0.000 2.136 204 G HA2 -0.325 3.634 3.960 -0.000 0.000 0.242 204 G HA3 -0.325 3.634 3.960 -0.000 0.000 0.242 204 G C 0.711 175.593 174.900 -0.030 0.000 0.989 204 G CA 0.507 45.598 45.100 -0.015 0.000 0.682 204 G HN 0.301 nan 8.290 nan 0.000 0.522 205 M N -0.482 119.088 119.600 -0.050 0.000 2.514 205 M HA 0.332 4.812 4.480 -0.000 0.000 0.258 205 M C 1.081 177.164 176.300 -0.362 0.000 1.119 205 M CA 0.777 56.003 55.300 -0.124 0.000 1.111 205 M CB 0.221 32.788 32.600 -0.055 0.000 1.390 205 M HN 0.171 nan 8.290 nan 0.000 0.475 206 L N 0.451 121.488 121.223 -0.309 0.000 2.292 206 L HA 0.260 4.600 4.340 -0.000 0.000 0.284 206 L C 0.541 177.304 176.870 -0.178 0.000 1.065 206 L CA -0.592 54.040 54.840 -0.347 0.000 0.806 206 L CB 1.296 43.214 42.059 -0.235 0.000 1.175 206 L HN 0.005 nan 8.230 nan 0.000 0.431 207 S N 3.903 119.510 115.700 -0.155 0.000 2.510 207 S HA 0.208 4.678 4.470 -0.000 0.000 0.279 207 S C -1.526 173.036 174.600 -0.064 0.000 1.284 207 S CA -1.142 57.008 58.200 -0.083 0.000 1.059 207 S CB 1.039 64.197 63.200 -0.069 0.000 0.901 207 S HN 0.391 nan 8.310 nan 0.000 0.491 208 P HA -0.030 nan 4.420 nan 0.000 0.220 208 P C 0.431 177.718 177.300 -0.023 0.000 1.148 208 P CA 0.948 64.033 63.100 -0.026 0.000 0.803 208 P CB 0.080 31.769 31.700 -0.018 0.000 0.782 209 E N -1.072 119.107 120.200 -0.035 0.000 2.502 209 E HA 0.215 4.565 4.350 -0.000 0.000 0.194 209 E C 1.215 177.785 176.600 -0.049 0.000 1.062 209 E CA 0.427 56.802 56.400 -0.041 0.000 0.867 209 E CB -1.136 28.530 29.700 -0.056 0.000 0.888 209 E HN 0.095 nan 8.360 nan 0.000 0.510 210 G N 1.175 109.949 108.800 -0.043 0.000 2.366 210 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.299 210 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.299 210 G C -0.053 174.814 174.900 -0.055 0.000 1.020 210 G CA 0.913 45.992 45.100 -0.034 0.000 1.026 210 G HN 0.223 nan 8.290 nan 0.000 0.512 211 T N -0.972 113.527 114.554 -0.092 0.000 2.916 211 T HA 0.391 4.741 4.350 -0.000 0.000 0.298 211 T C -0.049 174.578 174.700 -0.122 0.000 1.031 211 T CA -0.435 61.565 62.100 -0.166 0.000 0.993 211 T CB 1.846 70.487 68.868 -0.378 0.000 1.045 211 T HN 0.313 nan 8.240 nan 0.000 0.454 212 C N 3.837 123.085 119.300 -0.086 0.000 2.158 212 C HA 0.283 4.742 4.460 -0.000 0.000 0.350 212 C C 1.145 176.075 174.990 -0.100 0.000 1.064 212 C CA -0.838 58.139 59.018 -0.069 0.000 1.507 212 C CB -1.470 26.231 27.740 -0.065 0.000 1.934 212 C HN 0.754 nan 8.230 nan 0.000 0.479 213 K N 2.395 122.734 120.400 -0.101 0.000 2.751 213 K HA 0.292 4.612 4.320 -0.000 0.000 0.252 213 K C 0.765 177.313 176.600 -0.086 0.000 1.277 213 K CA -0.055 56.197 56.287 -0.058 0.000 1.226 213 K CB 0.075 32.555 32.500 -0.033 0.000 1.658 213 K HN 0.791 nan 8.250 nan 0.000 0.303 214 A N 1.262 123.931 122.820 -0.252 0.000 2.584 214 A HA 0.015 4.335 4.320 -0.000 0.000 0.239 214 A C 0.354 177.630 177.584 -0.514 0.000 1.043 214 A CA 0.256 51.924 52.037 -0.615 0.000 0.756 214 A CB -0.671 17.645 19.000 -1.141 0.000 0.963 214 A HN 0.662 nan 8.150 nan 0.000 0.511 215 F N -1.012 118.963 119.950 0.042 0.000 2.825 215 F HA -0.199 4.328 4.527 -0.000 0.000 0.358 215 F C 0.457 176.428 175.800 0.284 0.000 0.639 215 F CA 0.955 59.007 58.000 0.087 0.000 1.153 215 F CB -2.272 36.670 39.000 -0.097 0.000 1.610 215 F HN 0.734 nan 8.300 nan 0.000 0.305 216 D N 0.816 121.428 120.400 0.353 0.000 2.225 216 D HA 0.283 4.923 4.640 -0.000 0.000 0.249 216 D C 1.188 177.564 176.300 0.128 0.000 1.052 216 D CA 0.621 54.764 54.000 0.237 0.000 0.909 216 D CB 1.750 42.635 40.800 0.142 0.000 1.186 216 D HN 0.092 nan 8.370 nan 0.000 0.431 217 T N 1.997 116.599 114.554 0.079 0.000 2.849 217 T HA -0.125 4.225 4.350 -0.000 0.000 0.270 217 T C 1.533 176.258 174.700 0.042 0.000 1.066 217 T CA 1.249 63.382 62.100 0.054 0.000 1.130 217 T CB -0.003 68.883 68.868 0.030 0.000 0.864 217 T HN 0.490 nan 8.240 nan 0.000 0.481 218 A N 1.348 124.192 122.820 0.040 0.000 2.238 218 A HA 0.495 4.814 4.320 -0.000 0.000 0.208 218 A C 1.524 179.119 177.584 0.018 0.000 1.177 218 A CA 0.079 52.133 52.037 0.027 0.000 0.804 218 A CB -0.674 18.345 19.000 0.032 0.000 0.823 218 A HN 0.479 nan 8.150 nan 0.000 0.482 219 G N 1.423 110.239 108.800 0.027 0.000 2.192 219 G HA2 0.256 4.216 3.960 -0.000 0.000 0.258 219 G HA3 0.256 4.216 3.960 -0.000 0.000 0.258 219 G C 0.136 175.040 174.900 0.007 0.000 1.185 219 G CA 0.309 45.416 45.100 0.012 0.000 0.976 219 G HN 0.593 nan 8.290 nan 0.000 0.446 220 N N 1.543 120.238 118.700 -0.007 0.000 2.536 220 N HA 0.427 5.167 4.740 -0.000 0.000 0.286 220 N C 0.386 175.884 175.510 -0.020 0.000 1.577 220 N CA 0.084 53.130 53.050 -0.008 0.000 0.883 220 N CB 0.574 39.054 38.487 -0.010 0.000 1.390 220 N HN 1.168 nan 8.380 nan 0.000 0.491 221 G N -0.054 108.739 108.800 -0.012 0.000 2.354 221 G HA2 0.174 4.134 3.960 -0.000 0.000 0.582 221 G HA3 0.174 4.134 3.960 -0.000 0.000 0.582 221 G C -1.605 173.301 174.900 0.010 0.000 1.316 221 G CA -0.644 44.441 45.100 -0.025 0.000 0.995 221 G HN 0.455 nan 8.290 nan 0.000 0.573 222 Y N -1.899 118.369 120.300 -0.054 0.000 2.602 222 Y HA 0.796 5.346 4.550 -0.000 0.000 0.330 222 Y C 0.505 176.378 175.900 -0.044 0.000 1.114 222 Y CA -1.496 56.570 58.100 -0.058 0.000 1.182 222 Y CB 1.332 39.768 38.460 -0.039 0.000 1.305 222 Y HN 1.207 nan 8.280 nan 0.000 0.502 223 C N 3.774 123.214 119.300 0.233 0.000 2.281 223 C HA 0.598 5.058 4.460 -0.000 0.000 0.325 223 C C -0.103 175.037 174.990 0.251 0.000 1.282 223 C CA -0.751 58.343 59.018 0.127 0.000 1.640 223 C CB -0.459 27.320 27.740 0.064 0.000 2.288 223 C HN 0.989 nan 8.230 nan 0.000 0.507 224 R N 4.439 125.033 120.500 0.158 0.000 2.491 224 R HA 0.477 4.816 4.340 -0.000 0.000 0.283 224 R C 0.138 176.480 176.300 0.070 0.000 1.072 224 R CA 0.227 56.415 56.100 0.147 0.000 1.048 224 R CB 0.884 31.246 30.300 0.103 0.000 0.983 224 R HN 0.861 nan 8.270 nan 0.000 0.450 225 S N 1.096 116.813 115.700 0.029 0.000 2.697 225 S HA 0.340 4.810 4.470 -0.000 0.000 0.289 225 S C -0.853 173.736 174.600 -0.018 0.000 1.149 225 S CA -1.041 57.163 58.200 0.006 0.000 0.850 225 S CB 2.192 65.405 63.200 0.021 0.000 1.151 225 S HN 0.487 nan 8.310 nan 0.000 0.491 226 E N -0.321 119.864 120.200 -0.024 0.000 2.232 226 E HA 0.729 5.079 4.350 -0.000 0.000 0.264 226 E C -0.348 176.227 176.600 -0.041 0.000 0.973 226 E CA -1.095 55.288 56.400 -0.028 0.000 0.849 226 E CB 1.814 31.496 29.700 -0.030 0.000 1.198 226 E HN 0.762 nan 8.360 nan 0.000 0.407 227 G N -0.251 108.523 108.800 -0.043 0.000 2.633 227 G HA2 0.418 4.378 3.960 -0.000 0.000 0.299 227 G HA3 0.418 4.378 3.960 -0.000 0.000 0.299 227 G C -1.695 173.177 174.900 -0.046 0.000 1.501 227 G CA -0.488 44.575 45.100 -0.063 0.000 0.887 227 G HN 0.282 nan 8.290 nan 0.000 0.561 228 V N 1.439 121.322 119.914 -0.052 0.000 2.488 228 V HA 0.643 4.763 4.120 -0.000 0.000 0.293 228 V C -0.379 175.700 176.094 -0.025 0.000 1.027 228 V CA -0.634 61.650 62.300 -0.028 0.000 0.862 228 V CB 1.401 33.212 31.823 -0.021 0.000 1.008 228 V HN 0.763 nan 8.190 nan 0.000 0.428 229 V N 3.104 123.011 119.914 -0.011 0.000 2.789 229 V HA 0.975 5.094 4.120 -0.000 0.000 0.311 229 V C 0.009 176.122 176.094 0.032 0.000 1.073 229 V CA -0.541 61.757 62.300 -0.003 0.000 0.921 229 V CB 2.073 33.880 31.823 -0.027 0.000 1.009 229 V HN 0.980 nan 8.190 nan 0.000 0.426 230 A N 3.144 125.994 122.820 0.049 0.000 2.449 230 A HA 0.943 5.263 4.320 -0.000 0.000 0.302 230 A C -1.427 176.195 177.584 0.063 0.000 1.048 230 A CA -0.614 51.463 52.037 0.067 0.000 0.708 230 A CB 2.139 21.192 19.000 0.090 0.000 1.274 230 A HN 0.712 nan 8.150 nan 0.000 0.410 231 V N 1.955 121.907 119.914 0.064 0.000 2.789 231 V HA 0.536 4.656 4.120 -0.000 0.000 0.311 231 V C -1.121 175.011 176.094 0.064 0.000 1.073 231 V CA -0.566 61.770 62.300 0.061 0.000 0.921 231 V CB 1.876 33.726 31.823 0.046 0.000 1.009 231 V HN 0.926 nan 8.190 nan 0.000 0.426 232 L N 5.516 126.780 121.223 0.067 0.000 2.272 232 L HA 0.692 5.031 4.340 -0.000 0.000 0.289 232 L C -1.114 175.786 176.870 0.050 0.000 1.032 232 L CA 0.122 54.987 54.840 0.042 0.000 0.810 232 L CB 1.162 43.239 42.059 0.030 0.000 1.205 232 L HN 0.506 nan 8.230 nan 0.000 0.422 233 L N 4.540 125.784 121.223 0.035 0.000 2.334 233 L HA 0.825 5.165 4.340 -0.000 0.000 0.276 233 L C 0.164 177.043 176.870 0.015 0.000 1.014 233 L CA 0.108 54.972 54.840 0.039 0.000 0.815 233 L CB 2.029 44.114 42.059 0.043 0.000 1.268 233 L HN 0.885 nan 8.230 nan 0.000 0.428 234 T N -0.666 113.899 114.554 0.018 0.000 2.864 234 T HA 0.536 4.886 4.350 -0.000 0.000 0.299 234 T C -0.760 173.947 174.700 0.012 0.000 1.166 234 T CA -1.145 60.955 62.100 0.001 0.000 1.007 234 T CB 1.539 70.397 68.868 -0.016 0.000 1.219 234 T HN 0.563 nan 8.240 nan 0.000 0.506 235 K N 1.437 121.839 120.400 0.003 0.000 2.295 235 K HA 0.269 4.589 4.320 -0.000 0.000 0.270 235 K C 1.169 177.775 176.600 0.009 0.000 1.011 235 K CA -0.794 55.498 56.287 0.008 0.000 0.953 235 K CB 1.056 33.554 32.500 -0.004 0.000 0.956 235 K HN 0.775 nan 8.250 nan 0.000 0.477 236 K N 1.363 121.775 120.400 0.020 0.000 2.077 236 K HA -0.280 4.040 4.320 -0.000 0.000 0.213 236 K C 2.005 178.610 176.600 0.010 0.000 1.051 236 K CA 2.518 58.817 56.287 0.019 0.000 0.929 236 K CB -0.318 32.199 32.500 0.028 0.000 0.715 236 K HN 0.841 nan 8.250 nan 0.000 0.451 237 S N 0.168 115.872 115.700 0.006 0.000 2.419 237 S HA -0.140 4.329 4.470 -0.000 0.000 0.235 237 S C 1.746 176.340 174.600 -0.009 0.000 1.019 237 S CA 0.987 59.189 58.200 0.004 0.000 0.982 237 S CB -0.189 63.012 63.200 0.003 0.000 0.789 237 S HN 0.211 nan 8.310 nan 0.000 0.490 238 L N 1.266 122.477 121.223 -0.019 0.000 2.418 238 L HA 0.462 4.802 4.340 -0.000 0.000 0.218 238 L C 1.395 178.225 176.870 -0.067 0.000 1.125 238 L CA 0.243 55.061 54.840 -0.037 0.000 0.835 238 L CB -1.085 40.955 42.059 -0.032 0.000 0.953 238 L HN 0.427 nan 8.230 nan 0.000 0.454 239 A N -0.755 122.030 122.820 -0.058 0.000 2.388 239 A HA 0.404 4.724 4.320 -0.000 0.000 0.257 239 A C 1.058 178.546 177.584 -0.159 0.000 1.095 239 A CA -0.305 51.680 52.037 -0.088 0.000 0.791 239 A CB 0.484 19.456 19.000 -0.045 0.000 1.029 239 A HN 0.114 nan 8.150 nan 0.000 0.489 240 R N 0.629 120.964 120.500 -0.274 0.000 2.119 240 R HA 0.150 4.490 4.340 -0.000 0.000 0.202 240 R C 0.823 177.004 176.300 -0.199 0.000 1.114 240 R CA 0.578 56.328 56.100 -0.583 0.000 1.089 240 R CB -0.256 29.534 30.300 -0.851 0.000 1.000 240 R HN 0.776 nan 8.270 nan 0.000 0.487 241 R N 1.218 121.613 120.500 -0.175 0.000 2.474 241 R HA 0.441 4.780 4.340 -0.000 0.000 0.295 241 R C -1.244 174.942 176.300 -0.189 0.000 0.980 241 R CA -0.270 55.732 56.100 -0.164 0.000 0.934 241 R CB 1.527 31.662 30.300 -0.274 0.000 1.101 241 R HN -0.162 nan 8.270 nan 0.000 0.469 242 V N 5.615 125.410 119.914 -0.198 0.000 2.447 242 V HA 0.197 4.317 4.120 -0.000 0.000 0.292 242 V C -0.419 175.584 176.094 -0.152 0.000 1.021 242 V CA -0.565 61.663 62.300 -0.119 0.000 0.850 242 V CB 1.378 33.183 31.823 -0.031 0.000 1.005 242 V HN 0.844 nan 8.190 nan 0.000 0.426 243 Y N 3.070 123.367 120.300 -0.004 0.000 2.286 243 Y HA 0.503 5.053 4.550 -0.000 0.000 0.293 243 Y C 1.210 177.100 175.900 -0.017 0.000 1.124 243 Y CA 1.044 59.132 58.100 -0.020 0.000 1.178 243 Y CB 0.361 38.814 38.460 -0.013 0.000 1.010 243 Y HN 0.715 nan 8.280 nan 0.000 0.536 244 A N -1.459 121.456 122.820 0.158 0.000 2.597 244 A HA 0.583 4.903 4.320 -0.000 0.000 0.292 244 A C -0.938 176.688 177.584 0.070 0.000 1.057 244 A CA -0.732 51.359 52.037 0.089 0.000 0.674 244 A CB 0.394 19.446 19.000 0.086 0.000 1.278 244 A HN -0.120 nan 8.150 nan 0.000 0.416 245 T N 1.574 116.155 114.554 0.045 0.000 2.829 245 T HA 0.540 4.889 4.350 -0.000 0.000 0.282 245 T C -0.013 174.702 174.700 0.025 0.000 0.990 245 T CA -0.043 62.084 62.100 0.045 0.000 1.028 245 T CB 0.458 69.348 68.868 0.038 0.000 0.951 245 T HN 0.415 nan 8.240 nan 0.000 0.460 246 I N 4.367 124.957 120.570 0.034 0.000 2.322 246 I HA 0.138 4.307 4.170 -0.000 0.000 0.292 246 I C 1.252 177.333 176.117 -0.060 0.000 1.060 246 I CA -0.176 61.093 61.300 -0.053 0.000 1.309 246 I CB 0.681 38.624 38.000 -0.095 0.000 1.415 246 I HN 0.590 nan 8.210 nan 0.000 0.492 247 L N 5.089 126.256 121.223 -0.092 0.000 2.179 247 L HA 0.087 4.427 4.340 -0.000 0.000 0.208 247 L C 0.633 177.434 176.870 -0.115 0.000 1.096 247 L CA 0.847 55.654 54.840 -0.054 0.000 0.779 247 L CB -0.265 41.770 42.059 -0.040 0.000 0.922 247 L HN 0.674 nan 8.230 nan 0.000 0.443 248 N N -1.069 117.466 118.700 -0.276 0.000 2.935 248 N HA 0.560 5.300 4.740 -0.000 0.000 0.248 248 N C -1.995 173.207 175.510 -0.513 0.000 1.276 248 N CA -0.022 52.809 53.050 -0.365 0.000 0.906 248 N CB 1.931 40.363 38.487 -0.092 0.000 1.564 248 N HN -0.039 nan 8.380 nan 0.000 0.500 249 A N 0.427 122.906 122.820 -0.568 0.000 2.459 249 A HA 0.872 5.192 4.320 -0.000 0.000 0.296 249 A C -0.481 177.020 177.584 -0.139 0.000 1.039 249 A CA 0.047 51.852 52.037 -0.387 0.000 0.698 249 A CB 1.226 19.887 19.000 -0.565 0.000 1.261 249 A HN 0.813 nan 8.150 nan 0.000 0.405 250 G N -0.563 108.212 108.800 -0.042 0.000 2.682 250 G HA2 0.774 4.734 3.960 -0.000 0.000 0.290 250 G HA3 0.774 4.734 3.960 -0.000 0.000 0.290 250 G C -1.040 173.881 174.900 0.035 0.000 1.425 250 G CA 0.139 45.247 45.100 0.013 0.000 0.807 250 G HN 1.248 nan 8.290 nan 0.000 0.482 251 T N -0.553 114.021 114.554 0.033 0.000 2.894 251 T HA 0.659 5.008 4.350 -0.000 0.000 0.309 251 T C -1.149 173.564 174.700 0.022 0.000 1.208 251 T CA -0.598 61.524 62.100 0.037 0.000 1.016 251 T CB 1.734 70.620 68.868 0.030 0.000 1.192 251 T HN 1.235 nan 8.240 nan 0.000 0.491 252 N N 0.629 119.338 118.700 0.015 0.000 2.972 252 N HA 0.608 5.348 4.740 -0.000 0.000 0.262 252 N C -1.706 173.798 175.510 -0.011 0.000 1.478 252 N CA -0.593 52.454 53.050 -0.004 0.000 0.841 252 N CB 1.515 39.989 38.487 -0.022 0.000 1.512 252 N HN 0.504 nan 8.380 nan 0.000 0.548 253 T N -0.326 114.218 114.554 -0.018 0.000 2.893 253 T HA 0.303 4.653 4.350 -0.000 0.000 0.293 253 T C -0.147 174.536 174.700 -0.028 0.000 1.027 253 T CA -0.414 61.674 62.100 -0.020 0.000 0.988 253 T CB 1.675 70.541 68.868 -0.003 0.000 1.043 253 T HN 0.403 nan 8.240 nan 0.000 0.461 254 D N 1.459 121.836 120.400 -0.038 0.000 2.190 254 D HA 0.072 4.712 4.640 -0.000 0.000 0.200 254 D C 1.563 177.861 176.300 -0.004 0.000 0.992 254 D CA 2.072 56.050 54.000 -0.037 0.000 0.854 254 D CB -0.397 40.381 40.800 -0.036 0.000 0.936 254 D HN 0.951 nan 8.370 nan 0.000 0.462 255 G N 0.167 108.978 108.800 0.019 0.000 2.553 255 G HA2 -0.301 3.658 3.960 -0.000 0.000 0.242 255 G HA3 -0.301 3.658 3.960 -0.000 0.000 0.242 255 G C -0.230 174.725 174.900 0.093 0.000 1.277 255 G CA -0.206 44.931 45.100 0.062 0.000 0.910 255 G HN 0.278 nan 8.290 nan 0.000 0.576 256 F N 2.220 122.171 119.950 0.001 0.000 2.443 256 F HA 0.662 5.189 4.527 -0.000 0.000 0.353 256 F C 0.594 176.394 175.800 -0.000 0.000 1.101 256 F CA 0.050 58.051 58.000 0.002 0.000 1.226 256 F CB 0.755 39.752 39.000 -0.004 0.000 1.140 256 F HN 0.470 nan 8.300 nan 0.000 0.557 257 K N 5.365 125.120 120.400 -1.075 0.000 2.507 257 K HA 0.160 4.480 4.320 -0.000 0.000 0.251 257 K C 0.396 176.348 176.600 -1.079 0.000 0.943 257 K CA -0.793 55.016 56.287 -0.797 0.000 0.794 257 K CB 1.967 34.272 32.500 -0.325 0.000 1.188 257 K HN 0.515 nan 8.250 nan 0.000 0.428 258 E N 1.464 121.222 120.200 -0.736 0.000 2.204 258 E HA -0.185 4.165 4.350 -0.000 0.000 0.195 258 E C 0.843 177.244 176.600 -0.331 0.000 0.990 258 E CA 1.564 57.719 56.400 -0.409 0.000 0.821 258 E CB 0.279 29.878 29.700 -0.169 0.000 0.750 258 E HN 0.510 nan 8.360 nan 0.000 0.477 259 Q N -0.483 119.057 119.800 -0.434 0.000 2.472 259 Q HA 0.178 4.518 4.340 -0.000 0.000 0.208 259 Q C 0.712 176.615 176.000 -0.161 0.000 0.958 259 Q CA 0.680 56.249 55.803 -0.390 0.000 0.932 259 Q CB 0.542 28.727 28.738 -0.922 0.000 1.007 259 Q HN 0.245 nan 8.270 nan 0.000 0.508 260 G N -1.036 107.671 108.800 -0.155 0.000 2.515 260 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.686 260 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.686 260 G C 0.012 174.924 174.900 0.020 0.000 1.274 260 G CA -0.486 44.594 45.100 -0.034 0.000 0.874 260 G HN 0.058 nan 8.290 nan 0.000 0.631 261 V N 0.301 120.248 119.914 0.056 0.000 2.490 261 V HA -0.030 4.090 4.120 -0.000 0.000 0.250 261 V C 2.740 178.922 176.094 0.146 0.000 1.061 261 V CA 3.829 66.181 62.300 0.086 0.000 1.064 261 V CB -0.456 31.424 31.823 0.095 0.000 0.670 261 V HN 1.852 nan 8.190 nan 0.000 0.461 262 T N -3.122 111.546 114.554 0.190 0.000 3.107 262 T HA 0.120 4.470 4.350 -0.000 0.000 0.249 262 T C 0.326 175.146 174.700 0.199 0.000 1.096 262 T CA -0.255 61.988 62.100 0.239 0.000 1.012 262 T CB -0.499 68.524 68.868 0.258 0.000 0.977 262 T HN 0.349 nan 8.240 nan 0.000 0.527 263 F N 4.974 124.950 119.950 0.043 0.000 2.445 263 F HA 0.448 4.975 4.527 -0.000 0.000 0.359 263 F C -2.433 173.368 175.800 0.001 0.000 1.101 263 F CA -3.080 54.930 58.000 0.017 0.000 1.177 263 F CB 1.052 40.037 39.000 -0.025 0.000 1.110 263 F HN -0.055 nan 8.300 nan 0.000 0.522 264 P HA 0.034 nan 4.420 nan 0.000 0.276 264 P C -0.997 176.176 177.300 -0.212 0.000 1.235 264 P CA -0.274 62.681 63.100 -0.242 0.000 0.772 264 P CB 1.537 33.099 31.700 -0.230 0.000 0.871 265 S N 2.267 117.918 115.700 -0.082 0.000 2.415 265 S HA 0.377 4.847 4.470 -0.000 0.000 0.313 265 S C 1.749 176.267 174.600 -0.136 0.000 1.067 265 S CA -0.275 57.914 58.200 -0.019 0.000 1.099 265 S CB -0.566 62.637 63.200 0.005 0.000 0.991 265 S HN 0.540 nan 8.310 nan 0.000 0.491 266 G N 3.503 112.244 108.800 -0.099 0.000 2.432 266 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.219 266 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.219 266 G C 1.053 175.886 174.900 -0.112 0.000 1.135 266 G CA 0.655 45.682 45.100 -0.123 0.000 0.767 266 G HN 0.689 nan 8.290 nan 0.000 0.550 267 D N 0.695 121.053 120.400 -0.070 0.000 2.117 267 D HA -0.078 4.562 4.640 -0.000 0.000 0.198 267 D C 2.561 178.805 176.300 -0.093 0.000 0.982 267 D CA 0.453 54.414 54.000 -0.064 0.000 0.828 267 D CB -0.024 40.755 40.800 -0.034 0.000 0.967 267 D HN 0.218 nan 8.370 nan 0.000 0.464 268 I N 1.119 121.624 120.570 -0.109 0.000 2.252 268 I HA -0.188 3.982 4.170 -0.000 0.000 0.245 268 I C 2.333 178.339 176.117 -0.184 0.000 1.102 268 I CA 0.983 62.208 61.300 -0.125 0.000 1.385 268 I CB -1.032 36.900 38.000 -0.112 0.000 1.064 268 I HN 0.060 nan 8.210 nan 0.000 0.414 269 Q N 0.505 120.135 119.800 -0.283 0.000 2.096 269 Q HA -0.250 4.089 4.340 -0.000 0.000 0.204 269 Q C 2.188 178.058 176.000 -0.216 0.000 0.982 269 Q CA 1.765 57.342 55.803 -0.377 0.000 0.850 269 Q CB -0.252 28.095 28.738 -0.652 0.000 0.901 269 Q HN 0.518 nan 8.270 nan 0.000 0.422 270 E N 1.000 121.095 120.200 -0.174 0.000 2.085 270 E HA -0.268 4.082 4.350 -0.000 0.000 0.194 270 E C 1.947 178.457 176.600 -0.150 0.000 0.994 270 E CA 1.275 57.591 56.400 -0.140 0.000 0.801 270 E CB 0.076 29.714 29.700 -0.103 0.000 0.743 270 E HN 0.431 nan 8.360 nan 0.000 0.453 271 Q N 0.079 119.797 119.800 -0.135 0.000 2.124 271 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 271 Q C 2.337 178.245 176.000 -0.153 0.000 0.977 271 Q CA 1.200 56.925 55.803 -0.131 0.000 0.850 271 Q CB -0.130 28.549 28.738 -0.097 0.000 0.901 271 Q HN 0.260 nan 8.270 nan 0.000 0.429 272 L N 0.741 121.879 121.223 -0.143 0.000 2.017 272 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 272 L C 1.945 178.701 176.870 -0.191 0.000 1.073 272 L CA 1.614 56.382 54.840 -0.119 0.000 0.745 272 L CB -0.374 41.646 42.059 -0.065 0.000 0.894 272 L HN 0.191 nan 8.230 nan 0.000 0.432 273 I N -0.670 119.724 120.570 -0.295 0.000 2.163 273 I HA -0.328 3.842 4.170 -0.000 0.000 0.243 273 I C 2.764 178.631 176.117 -0.416 0.000 1.085 273 I CA 1.729 62.741 61.300 -0.479 0.000 1.347 273 I CB -0.360 37.349 38.000 -0.485 0.000 1.044 273 I HN 0.296 nan 8.210 nan 0.000 0.408 274 R N 0.939 121.172 120.500 -0.445 0.000 2.075 274 R HA -0.180 4.160 4.340 -0.000 0.000 0.232 274 R C 2.565 178.421 176.300 -0.739 0.000 1.126 274 R CA 1.894 57.492 56.100 -0.837 0.000 0.963 274 R CB -0.238 29.804 30.300 -0.430 0.000 0.858 274 R HN 0.458 nan 8.270 nan 0.000 0.435 275 S N 0.332 115.812 115.700 -0.367 0.000 2.400 275 S HA -0.139 4.331 4.470 -0.000 0.000 0.232 275 S C 2.004 176.499 174.600 -0.175 0.000 1.025 275 S CA 1.185 59.249 58.200 -0.227 0.000 0.993 275 S CB -0.407 62.718 63.200 -0.126 0.000 0.808 275 S HN 0.375 nan 8.310 nan 0.000 0.478 276 L N 0.333 121.465 121.223 -0.150 0.000 2.072 276 L HA -0.005 4.335 4.340 -0.000 0.000 0.205 276 L C 2.824 179.739 176.870 0.075 0.000 1.079 276 L CA 1.577 56.417 54.840 0.001 0.000 0.752 276 L CB -0.801 41.338 42.059 0.133 0.000 0.906 276 L HN 0.544 nan 8.230 nan 0.000 0.436 277 Y N -0.714 119.662 120.300 0.127 0.000 2.373 277 Y HA -0.079 4.471 4.550 -0.000 0.000 0.293 277 Y C 2.313 178.272 175.900 0.098 0.000 1.129 277 Y CA 0.403 58.602 58.100 0.164 0.000 1.226 277 Y CB -1.103 37.522 38.460 0.274 0.000 1.000 277 Y HN 0.127 nan 8.280 nan 0.000 0.549 278 Q N 0.891 120.695 119.800 0.008 0.000 2.046 278 Q HA -0.143 4.197 4.340 -0.000 0.000 0.200 278 Q C 2.502 178.546 176.000 0.074 0.000 0.975 278 Q CA 2.222 58.071 55.803 0.076 0.000 0.836 278 Q CB -0.240 28.461 28.738 -0.062 0.000 0.896 278 Q HN 0.704 nan 8.270 nan 0.000 0.428 279 S N -0.003 115.718 115.700 0.035 0.000 2.453 279 S HA 0.037 4.506 4.470 -0.000 0.000 0.231 279 S C 1.902 176.544 174.600 0.068 0.000 1.005 279 S CA 0.668 58.895 58.200 0.046 0.000 0.949 279 S CB 0.034 63.251 63.200 0.029 0.000 0.774 279 S HN 0.333 nan 8.310 nan 0.000 0.510 280 A N 0.959 123.832 122.820 0.089 0.000 2.208 280 A HA 0.556 4.876 4.320 -0.000 0.000 0.209 280 A C 1.701 179.339 177.584 0.089 0.000 1.161 280 A CA 0.440 52.528 52.037 0.084 0.000 0.782 280 A CB -1.183 17.869 19.000 0.087 0.000 0.816 280 A HN 1.506 nan 8.150 nan 0.000 0.477 281 G N -0.893 107.972 108.800 0.108 0.000 2.246 281 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.273 281 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.273 281 G C -0.020 174.936 174.900 0.093 0.000 1.055 281 G CA 0.327 45.486 45.100 0.097 0.000 0.851 281 G HN 0.779 nan 8.290 nan 0.000 0.500 282 V N 0.262 120.261 119.914 0.141 0.000 2.483 282 V HA 0.791 4.911 4.120 -0.000 0.000 0.295 282 V C 0.792 176.938 176.094 0.086 0.000 1.035 282 V CA -0.289 62.065 62.300 0.090 0.000 0.896 282 V CB 1.718 33.593 31.823 0.085 0.000 0.986 282 V HN 1.081 nan 8.190 nan 0.000 0.447 283 A N 6.345 129.160 122.820 -0.008 0.000 2.327 283 A HA 0.631 4.951 4.320 -0.000 0.000 0.283 283 A C -1.610 175.903 177.584 -0.119 0.000 1.127 283 A CA -1.377 50.616 52.037 -0.072 0.000 0.810 283 A CB 0.527 19.504 19.000 -0.037 0.000 1.066 283 A HN 0.687 nan 8.150 nan 0.000 0.492 284 P HA -0.186 nan 4.420 nan 0.000 0.219 284 P C 1.133 178.447 177.300 0.023 0.000 1.146 284 P CA 1.665 64.595 63.100 -0.284 0.000 0.808 284 P CB 0.223 31.654 31.700 -0.449 0.000 0.779 285 E N 0.331 120.521 120.200 -0.016 0.000 2.418 285 E HA -0.112 4.238 4.350 -0.000 0.000 0.197 285 E C 1.654 178.280 176.600 0.044 0.000 1.026 285 E CA 1.175 57.585 56.400 0.017 0.000 0.862 285 E CB -0.639 29.057 29.700 -0.007 0.000 0.799 285 E HN 0.207 nan 8.360 nan 0.000 0.518 286 S N -0.546 115.170 115.700 0.028 0.000 2.522 286 S HA 0.038 4.508 4.470 -0.000 0.000 0.227 286 S C 0.244 174.790 174.600 -0.090 0.000 0.986 286 S CA -0.421 57.746 58.200 -0.056 0.000 0.929 286 S CB -0.434 62.678 63.200 -0.146 0.000 0.769 286 S HN 0.161 nan 8.310 nan 0.000 0.529 287 F N 2.347 122.280 119.950 -0.028 0.000 2.443 287 F HA 0.394 4.921 4.527 -0.000 0.000 0.353 287 F C 1.564 177.376 175.800 0.019 0.000 1.101 287 F CA -0.529 57.472 58.000 0.001 0.000 1.226 287 F CB 0.971 39.956 39.000 -0.025 0.000 1.140 287 F HN 0.197 nan 8.300 nan 0.000 0.557 288 E N 2.682 123.017 120.200 0.224 0.000 2.162 288 E HA -0.017 4.333 4.350 -0.000 0.000 0.193 288 E C -0.846 175.845 176.600 0.152 0.000 0.953 288 E CA 0.374 56.894 56.400 0.201 0.000 0.849 288 E CB 0.412 30.282 29.700 0.285 0.000 0.810 288 E HN 0.600 nan 8.360 nan 0.000 0.470 289 Y N -0.175 120.104 120.300 -0.035 0.000 2.544 289 Y HA 0.480 5.030 4.550 -0.000 0.000 0.342 289 Y C -1.802 174.018 175.900 -0.134 0.000 1.062 289 Y CA -1.199 56.724 58.100 -0.296 0.000 1.023 289 Y CB 1.584 39.476 38.460 -0.947 0.000 1.308 289 Y HN -0.010 nan 8.280 nan 0.000 0.457 290 I N 4.501 124.604 120.570 -0.778 0.000 2.499 290 I HA 0.414 4.583 4.170 -0.000 0.000 0.288 290 I C -1.510 174.145 176.117 -0.770 0.000 1.048 290 I CA -0.562 60.436 61.300 -0.504 0.000 1.062 290 I CB 1.532 39.356 38.000 -0.294 0.000 1.238 290 I HN 0.768 nan 8.210 nan 0.000 0.426 291 E N 6.845 126.860 120.200 -0.308 0.000 2.044 291 E HA 0.572 4.922 4.350 -0.000 0.000 0.282 291 E C -0.577 175.971 176.600 -0.086 0.000 1.031 291 E CA -0.363 55.969 56.400 -0.113 0.000 0.824 291 E CB 1.026 30.815 29.700 0.147 0.000 1.076 291 E HN 0.671 nan 8.360 nan 0.000 0.395 292 A N 3.844 126.625 122.820 -0.065 0.000 2.332 292 A HA 0.168 4.488 4.320 -0.000 0.000 0.258 292 A C 0.793 178.369 177.584 -0.012 0.000 1.087 292 A CA -0.082 51.950 52.037 -0.008 0.000 0.802 292 A CB 0.320 19.387 19.000 0.112 0.000 1.042 292 A HN 0.966 nan 8.150 nan 0.000 0.489 293 H N 1.418 120.358 119.070 -0.215 0.000 2.352 293 H HA -0.014 4.542 4.556 -0.000 0.000 0.299 293 H C 1.574 176.797 175.328 -0.175 0.000 1.097 293 H CA 1.712 57.592 56.048 -0.279 0.000 1.311 293 H CB -0.553 28.978 29.762 -0.386 0.000 1.377 293 H HN 1.223 nan 8.280 nan 0.000 0.504 294 G N 0.553 109.307 108.800 -0.078 0.000 2.266 294 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.269 294 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.269 294 G C 0.996 175.671 174.900 -0.375 0.000 0.863 294 G CA 0.962 45.967 45.100 -0.157 0.000 1.268 294 G HN 0.765 nan 8.290 nan 0.000 0.426 295 T N -1.869 112.456 114.554 -0.381 0.000 3.100 295 T HA 0.391 4.741 4.350 -0.000 0.000 0.253 295 T C 2.018 176.620 174.700 -0.163 0.000 1.118 295 T CA 0.793 62.664 62.100 -0.383 0.000 1.058 295 T CB 0.363 68.958 68.868 -0.455 0.000 0.953 295 T HN 2.188 nan 8.240 nan 0.000 0.515 296 G N 2.158 110.872 108.800 -0.143 0.000 2.212 296 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.255 296 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.255 296 G C 0.083 174.976 174.900 -0.012 0.000 1.062 296 G CA 0.174 45.226 45.100 -0.080 0.000 0.815 296 G HN 1.131 nan 8.290 nan 0.000 0.497 297 T N -3.103 111.457 114.554 0.010 0.000 2.928 297 T HA 0.647 4.997 4.350 -0.000 0.000 0.284 297 T C 1.266 175.982 174.700 0.026 0.000 1.008 297 T CA 0.091 62.207 62.100 0.027 0.000 1.057 297 T CB 2.233 71.127 68.868 0.044 0.000 1.018 297 T HN 0.194 nan 8.240 nan 0.000 0.493 298 K N 1.106 121.520 120.400 0.024 0.000 2.097 298 K HA -0.034 4.286 4.320 -0.000 0.000 0.206 298 K C 1.803 178.415 176.600 0.019 0.000 1.049 298 K CA 1.210 57.514 56.287 0.028 0.000 0.933 298 K CB -0.351 32.166 32.500 0.028 0.000 0.717 298 K HN 0.530 nan 8.250 nan 0.000 0.442 299 V N -0.567 119.342 119.914 -0.007 0.000 2.426 299 V HA -0.011 4.109 4.120 -0.000 0.000 0.242 299 V C 2.188 178.211 176.094 -0.119 0.000 1.036 299 V CA 1.773 64.035 62.300 -0.064 0.000 1.044 299 V CB -0.205 31.550 31.823 -0.113 0.000 0.688 299 V HN 0.538 nan 8.190 nan 0.000 0.462 300 G N -0.113 108.635 108.800 -0.086 0.000 2.421 300 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.216 300 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.216 300 G C 1.193 176.106 174.900 0.022 0.000 1.171 300 G CA 1.171 46.243 45.100 -0.047 0.000 0.775 300 G HN 0.478 nan 8.290 nan 0.000 0.543 301 D N 1.236 121.669 120.400 0.054 0.000 2.092 301 D HA -0.066 4.574 4.640 -0.000 0.000 0.193 301 D C 0.161 176.508 176.300 0.077 0.000 0.994 301 D CA 1.219 55.288 54.000 0.115 0.000 0.828 301 D CB -1.167 39.729 40.800 0.161 0.000 0.963 301 D HN 0.265 nan 8.370 nan 0.000 0.450 302 P HA -0.063 nan 4.420 nan 0.000 0.217 302 P C 1.472 178.772 177.300 -0.002 0.000 1.151 302 P CA 1.120 64.233 63.100 0.021 0.000 0.828 302 P CB 0.097 31.813 31.700 0.026 0.000 0.788 303 Q N 0.140 119.925 119.800 -0.025 0.000 2.045 303 Q HA -0.239 4.100 4.340 -0.000 0.000 0.206 303 Q C 2.194 178.172 176.000 -0.036 0.000 0.991 303 Q CA 1.769 57.541 55.803 -0.052 0.000 0.851 303 Q CB -0.893 27.758 28.738 -0.145 0.000 0.911 303 Q HN 0.453 nan 8.270 nan 0.000 0.418 304 E N -0.176 120.030 120.200 0.009 0.000 2.047 304 E HA -0.170 4.180 4.350 -0.000 0.000 0.191 304 E C 1.992 178.604 176.600 0.019 0.000 0.987 304 E CA 0.668 57.111 56.400 0.072 0.000 0.799 304 E CB 0.058 29.893 29.700 0.226 0.000 0.752 304 E HN 0.130 nan 8.360 nan 0.000 0.449 305 L N 1.582 122.797 121.223 -0.014 0.000 2.093 305 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 305 L C 2.004 178.824 176.870 -0.083 0.000 1.085 305 L CA 1.214 55.998 54.840 -0.093 0.000 0.755 305 L CB -0.497 41.472 42.059 -0.151 0.000 0.904 305 L HN 0.159 nan 8.230 nan 0.000 0.435 306 N N -0.433 118.236 118.700 -0.052 0.000 2.270 306 N HA -0.080 4.660 4.740 -0.000 0.000 0.181 306 N C 1.875 177.353 175.510 -0.053 0.000 1.016 306 N CA 1.216 54.238 53.050 -0.047 0.000 0.870 306 N CB -0.495 37.976 38.487 -0.026 0.000 0.979 306 N HN 0.380 nan 8.380 nan 0.000 0.431 307 G N 1.117 109.884 108.800 -0.055 0.000 2.402 307 G HA2 -0.133 3.826 3.960 -0.000 0.000 0.216 307 G HA3 -0.133 3.826 3.960 -0.000 0.000 0.216 307 G C 1.644 176.497 174.900 -0.078 0.000 1.162 307 G CA 0.223 45.282 45.100 -0.068 0.000 0.777 307 G HN 0.244 nan 8.290 nan 0.000 0.539 308 I N 0.965 121.486 120.570 -0.082 0.000 2.226 308 I HA -0.171 3.999 4.170 -0.000 0.000 0.245 308 I C 2.997 179.043 176.117 -0.119 0.000 1.100 308 I CA 1.440 62.671 61.300 -0.115 0.000 1.374 308 I CB -0.389 37.528 38.000 -0.139 0.000 1.057 308 I HN 0.108 nan 8.210 nan 0.000 0.413 309 T N 0.464 114.955 114.554 -0.105 0.000 2.684 309 T HA -0.194 4.155 4.350 -0.000 0.000 0.267 309 T C 2.006 176.665 174.700 -0.068 0.000 1.036 309 T CA 1.361 63.407 62.100 -0.091 0.000 1.148 309 T CB -0.267 68.554 68.868 -0.078 0.000 0.863 309 T HN 0.323 nan 8.240 nan 0.000 0.436 310 R N 0.819 121.285 120.500 -0.056 0.000 2.092 310 R HA 0.132 4.472 4.340 -0.000 0.000 0.231 310 R C 2.814 179.099 176.300 -0.025 0.000 1.119 310 R CA 1.120 57.198 56.100 -0.038 0.000 0.970 310 R CB -0.382 29.897 30.300 -0.035 0.000 0.864 310 R HN 0.367 nan 8.270 nan 0.000 0.440 311 A N 0.674 123.472 122.820 -0.037 0.000 1.897 311 A HA -0.034 4.285 4.320 -0.000 0.000 0.215 311 A C 1.942 179.560 177.584 0.056 0.000 1.181 311 A CA 1.070 53.113 52.037 0.010 0.000 0.620 311 A CB -0.062 18.911 19.000 -0.044 0.000 0.821 311 A HN 0.181 nan 8.150 nan 0.000 0.443 312 L N -2.028 119.159 121.223 -0.059 0.000 2.642 312 L HA 0.071 4.411 4.340 -0.000 0.000 0.233 312 L C 1.214 178.014 176.870 -0.116 0.000 1.077 312 L CA 0.043 54.800 54.840 -0.139 0.000 0.879 312 L CB 0.480 42.381 42.059 -0.264 0.000 1.151 312 L HN 0.353 nan 8.230 nan 0.000 0.495 313 C N 0.261 119.508 119.300 -0.088 0.000 2.754 313 C HA 0.349 4.809 4.460 -0.000 0.000 0.276 313 C C 2.627 177.589 174.990 -0.047 0.000 1.264 313 C CA 0.057 59.033 59.018 -0.071 0.000 1.700 313 C CB -0.830 26.864 27.740 -0.077 0.000 1.885 313 C HN 0.490 nan 8.230 nan 0.000 0.607 314 A N 1.731 124.530 122.820 -0.035 0.000 1.902 314 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 314 A C 2.162 179.735 177.584 -0.018 0.000 1.181 314 A CA 2.545 54.570 52.037 -0.020 0.000 0.623 314 A CB -0.644 18.353 19.000 -0.006 0.000 0.818 314 A HN 0.600 nan 8.150 nan 0.000 0.443 315 T N -3.651 110.890 114.554 -0.022 0.000 3.145 315 T HA 0.346 4.696 4.350 -0.000 0.000 0.281 315 T C 0.413 175.101 174.700 -0.020 0.000 1.003 315 T CA -0.520 61.570 62.100 -0.017 0.000 0.901 315 T CB -0.129 68.732 68.868 -0.012 0.000 1.112 315 T HN 0.307 nan 8.240 nan 0.000 0.535 316 R N 1.385 121.869 120.500 -0.027 0.000 2.438 316 R HA 0.308 4.647 4.340 -0.000 0.000 0.287 316 R C 0.971 177.262 176.300 -0.015 0.000 1.077 316 R CA -0.449 55.637 56.100 -0.023 0.000 1.034 316 R CB 0.716 30.997 30.300 -0.032 0.000 0.993 316 R HN 0.174 nan 8.270 nan 0.000 0.459 317 Q N 1.295 121.091 119.800 -0.008 0.000 2.297 317 Q HA 0.017 4.357 4.340 -0.000 0.000 0.203 317 Q C -0.110 175.889 176.000 -0.002 0.000 0.931 317 Q CA 1.196 56.997 55.803 -0.004 0.000 0.885 317 Q CB 0.515 29.253 28.738 0.001 0.000 0.991 317 Q HN 0.588 nan 8.270 nan 0.000 0.498 318 E N 1.701 121.901 120.200 0.000 0.000 2.222 318 E HA 0.392 4.742 4.350 -0.000 0.000 0.272 318 E C -2.302 174.294 176.600 -0.007 0.000 0.982 318 E CA -2.225 54.177 56.400 0.004 0.000 0.842 318 E CB 0.692 30.402 29.700 0.016 0.000 1.144 318 E HN -0.051 nan 8.360 nan 0.000 0.397 319 P HA 0.088 nan 4.420 nan 0.000 0.272 319 P C -0.529 176.749 177.300 -0.037 0.000 1.230 319 P CA -0.477 62.606 63.100 -0.029 0.000 0.788 319 P CB 0.473 32.158 31.700 -0.025 0.000 0.949 320 L N 2.662 123.840 121.223 -0.075 0.000 2.282 320 L HA 0.337 4.677 4.340 -0.000 0.000 0.288 320 L C -0.607 176.171 176.870 -0.153 0.000 1.033 320 L CA -0.544 54.239 54.840 -0.096 0.000 0.807 320 L CB 0.372 42.354 42.059 -0.128 0.000 1.209 320 L HN 0.181 nan 8.230 nan 0.000 0.423 321 L N 6.117 127.250 121.223 -0.151 0.000 2.397 321 L HA 0.396 4.736 4.340 -0.000 0.000 0.271 321 L C -0.102 176.493 176.870 -0.458 0.000 1.148 321 L CA 0.073 54.787 54.840 -0.210 0.000 0.825 321 L CB 1.024 43.012 42.059 -0.118 0.000 1.117 321 L HN 0.651 nan 8.230 nan 0.000 0.456 322 I N 1.206 121.494 120.570 -0.469 0.000 2.686 322 I HA 0.764 4.934 4.170 -0.000 0.000 0.295 322 I C -0.378 175.527 176.117 -0.354 0.000 1.114 322 I CA -0.157 60.763 61.300 -0.633 0.000 1.038 322 I CB 2.120 39.752 38.000 -0.612 0.000 1.238 322 I HN 0.641 nan 8.210 nan 0.000 0.420 323 G N 2.950 111.591 108.800 -0.265 0.000 2.708 323 G HA2 0.595 4.555 3.960 -0.000 0.000 0.289 323 G HA3 0.595 4.555 3.960 -0.000 0.000 0.289 323 G C -1.929 173.091 174.900 0.200 0.000 1.416 323 G CA -0.541 44.655 45.100 0.159 0.000 0.829 323 G HN 0.531 nan 8.290 nan 0.000 0.480 324 S N -1.154 114.603 115.700 0.095 0.000 2.750 324 S HA 0.450 4.920 4.470 -0.000 0.000 0.276 324 S C 0.906 175.489 174.600 -0.029 0.000 1.165 324 S CA -0.072 58.109 58.200 -0.032 0.000 1.047 324 S CB 1.332 64.355 63.200 -0.295 0.000 1.056 324 S HN 0.528 nan 8.310 nan 0.000 0.481 325 T N 4.558 119.133 114.554 0.035 0.000 2.929 325 T HA -0.060 4.290 4.350 -0.000 0.000 0.271 325 T C 1.603 176.326 174.700 0.039 0.000 1.085 325 T CA 1.122 63.265 62.100 0.071 0.000 1.125 325 T CB -0.103 68.861 68.868 0.161 0.000 0.874 325 T HN 0.627 nan 8.240 nan 0.000 0.494 326 K N 1.565 121.941 120.400 -0.040 0.000 2.209 326 K HA -0.063 4.257 4.320 -0.000 0.000 0.204 326 K C 2.679 179.259 176.600 -0.032 0.000 1.048 326 K CA 1.447 57.699 56.287 -0.059 0.000 0.940 326 K CB -0.224 32.162 32.500 -0.190 0.000 0.729 326 K HN 0.465 nan 8.250 nan 0.000 0.451 327 S N 1.067 116.731 115.700 -0.060 0.000 2.447 327 S HA -0.116 4.353 4.470 -0.000 0.000 0.233 327 S C 1.416 176.064 174.600 0.080 0.000 1.006 327 S CA 1.357 59.567 58.200 0.016 0.000 0.957 327 S CB -0.225 62.940 63.200 -0.060 0.000 0.773 327 S HN 0.305 nan 8.310 nan 0.000 0.507 328 N N 1.560 120.277 118.700 0.030 0.000 2.387 328 N HA 0.241 4.981 4.740 -0.000 0.000 0.176 328 N C 1.558 177.116 175.510 0.079 0.000 1.022 328 N CA 1.263 54.325 53.050 0.020 0.000 0.883 328 N CB -0.122 38.347 38.487 -0.029 0.000 1.019 328 N HN 0.754 nan 8.380 nan 0.000 0.435 329 M N -2.519 117.148 119.600 0.112 0.000 2.340 329 M HA 0.507 4.987 4.480 -0.000 0.000 0.345 329 M C 0.394 176.752 176.300 0.096 0.000 1.008 329 M CA -0.420 54.959 55.300 0.132 0.000 0.987 329 M CB 1.233 33.968 32.600 0.224 0.000 1.598 329 M HN -0.027 nan 8.290 nan 0.000 0.569 330 G N 1.341 110.190 108.800 0.082 0.000 2.796 330 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.571 330 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.571 330 G C -1.320 173.639 174.900 0.098 0.000 1.370 330 G CA -0.333 44.817 45.100 0.084 0.000 0.856 330 G HN 0.788 nan 8.290 nan 0.000 0.538 331 H N 1.937 120.986 119.070 -0.035 0.000 2.641 331 H HA 0.482 5.038 4.556 -0.000 0.000 0.295 331 H C -1.608 173.647 175.328 -0.122 0.000 1.070 331 H CA -1.874 54.080 56.048 -0.157 0.000 1.257 331 H CB 1.595 31.108 29.762 -0.414 0.000 1.393 331 H HN 0.279 nan 8.280 nan 0.000 0.464 332 P HA 0.040 nan 4.420 nan 0.000 0.249 332 P C -0.049 177.127 177.300 -0.207 0.000 1.544 332 P CA 0.212 63.253 63.100 -0.098 0.000 0.932 332 P CB 0.176 31.859 31.700 -0.029 0.000 1.524 333 E N 0.145 119.977 120.200 -0.613 0.000 3.287 333 E HA -0.237 4.113 4.350 -0.000 0.000 0.405 333 E C -1.328 175.217 176.600 -0.092 0.000 1.541 333 E CA 1.433 57.513 56.400 -0.533 0.000 1.405 333 E CB -2.833 26.654 29.700 -0.354 0.000 1.576 333 E HN 0.259 nan 8.360 nan 0.000 0.474 334 P HA -0.150 nan 4.420 nan 0.000 0.219 334 P C 0.848 178.169 177.300 0.036 0.000 1.146 334 P CA 2.371 65.493 63.100 0.035 0.000 0.808 334 P CB -0.089 31.637 31.700 0.043 0.000 0.779 335 A N 0.335 123.163 122.820 0.014 0.000 2.238 335 A HA 0.034 4.354 4.320 -0.000 0.000 0.208 335 A C 2.277 179.877 177.584 0.027 0.000 1.177 335 A CA 0.878 52.924 52.037 0.015 0.000 0.804 335 A CB -1.112 17.884 19.000 -0.007 0.000 0.823 335 A HN 0.344 nan 8.150 nan 0.000 0.482 336 S N -0.331 115.404 115.700 0.060 0.000 2.383 336 S HA -0.086 4.384 4.470 -0.000 0.000 0.229 336 S C 1.960 176.602 174.600 0.070 0.000 1.030 336 S CA 1.405 59.664 58.200 0.099 0.000 1.002 336 S CB -0.963 62.370 63.200 0.222 0.000 0.829 336 S HN 0.586 nan 8.310 nan 0.000 0.467 337 G N 1.796 110.631 108.800 0.058 0.000 2.402 337 G HA2 0.036 3.996 3.960 -0.000 0.000 0.216 337 G HA3 0.036 3.996 3.960 -0.000 0.000 0.216 337 G C 1.470 176.387 174.900 0.029 0.000 1.162 337 G CA 0.761 45.880 45.100 0.031 0.000 0.777 337 G HN 0.493 nan 8.290 nan 0.000 0.539 338 L N 0.558 121.797 121.223 0.026 0.000 2.156 338 L HA 0.015 4.355 4.340 -0.000 0.000 0.208 338 L C 3.364 180.247 176.870 0.022 0.000 1.095 338 L CA 0.836 55.689 54.840 0.020 0.000 0.770 338 L CB -0.395 41.674 42.059 0.016 0.000 0.914 338 L HN 0.325 nan 8.230 nan 0.000 0.439 339 A N 0.264 123.095 122.820 0.017 0.000 1.902 339 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 339 A C 2.539 180.203 177.584 0.133 0.000 1.181 339 A CA 1.638 53.685 52.037 0.016 0.000 0.623 339 A CB -0.527 18.466 19.000 -0.011 0.000 0.818 339 A HN 0.385 nan 8.150 nan 0.000 0.443 340 A N -0.506 122.381 122.820 0.112 0.000 1.898 340 A HA -0.002 4.318 4.320 -0.000 0.000 0.216 340 A C 2.118 179.788 177.584 0.142 0.000 1.181 340 A CA 1.655 53.773 52.037 0.134 0.000 0.620 340 A CB -0.608 18.439 19.000 0.080 0.000 0.819 340 A HN 0.667 nan 8.150 nan 0.000 0.442 341 L N -0.082 121.197 121.223 0.093 0.000 2.012 341 L HA -0.098 4.242 4.340 -0.000 0.000 0.210 341 L C 2.670 179.587 176.870 0.079 0.000 1.073 341 L CA 2.263 57.146 54.840 0.072 0.000 0.748 341 L CB -0.813 41.264 42.059 0.029 0.000 0.891 341 L HN 0.346 nan 8.230 nan 0.000 0.431 342 A N -0.505 122.375 122.820 0.099 0.000 1.908 342 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 342 A C 2.428 180.157 177.584 0.241 0.000 1.181 342 A CA 2.011 54.127 52.037 0.133 0.000 0.627 342 A CB -0.731 18.365 19.000 0.160 0.000 0.818 342 A HN 0.450 nan 8.150 nan 0.000 0.445 343 K N 0.137 120.744 120.400 0.344 0.000 2.057 343 K HA -0.095 4.225 4.320 -0.000 0.000 0.207 343 K C 1.924 178.651 176.600 0.213 0.000 1.049 343 K CA 1.823 58.280 56.287 0.282 0.000 0.931 343 K CB -0.627 32.026 32.500 0.256 0.000 0.714 343 K HN 0.269 nan 8.250 nan 0.000 0.440 344 V N 1.883 121.917 119.914 0.200 0.000 2.295 344 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 344 V C 2.534 178.688 176.094 0.101 0.000 1.049 344 V CA 1.575 64.005 62.300 0.216 0.000 1.024 344 V CB -0.323 31.645 31.823 0.241 0.000 0.648 344 V HN 0.259 nan 8.190 nan 0.000 0.447 345 L N -0.954 120.281 121.223 0.020 0.000 2.093 345 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 345 L C 2.373 179.158 176.870 -0.141 0.000 1.085 345 L CA 1.257 56.044 54.840 -0.088 0.000 0.755 345 L CB -0.525 41.381 42.059 -0.256 0.000 0.904 345 L HN 0.301 nan 8.230 nan 0.000 0.435 346 L N -0.942 120.217 121.223 -0.106 0.000 2.056 346 L HA -0.178 4.162 4.340 -0.000 0.000 0.207 346 L C 2.761 179.362 176.870 -0.448 0.000 1.078 346 L CA 1.031 55.744 54.840 -0.212 0.000 0.749 346 L CB -0.431 41.621 42.059 -0.011 0.000 0.901 346 L HN 0.180 nan 8.230 nan 0.000 0.433 347 S N 0.159 115.733 115.700 -0.210 0.000 2.359 347 S HA -0.171 4.299 4.470 -0.000 0.000 0.224 347 S C 1.957 176.276 174.600 -0.469 0.000 1.035 347 S CA 1.347 59.400 58.200 -0.246 0.000 1.018 347 S CB -0.366 62.784 63.200 -0.083 0.000 0.876 347 S HN 0.277 nan 8.310 nan 0.000 0.448 348 L N 1.320 122.288 121.223 -0.425 0.000 2.046 348 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 348 L C 2.654 179.344 176.870 -0.301 0.000 1.077 348 L CA 1.055 55.661 54.840 -0.390 0.000 0.747 348 L CB -0.566 41.369 42.059 -0.207 0.000 0.896 348 L HN 0.201 nan 8.230 nan 0.000 0.432 349 E N -0.292 119.742 120.200 -0.278 0.000 2.153 349 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 349 E C 1.872 178.162 176.600 -0.516 0.000 0.988 349 E CA 1.392 57.588 56.400 -0.339 0.000 0.811 349 E CB -0.172 29.333 29.700 -0.325 0.000 0.746 349 E HN 0.643 nan 8.360 nan 0.000 0.466 350 H N -1.436 117.349 119.070 -0.474 0.000 2.575 350 H HA 0.236 4.792 4.556 -0.000 0.000 0.267 350 H C 1.185 176.366 175.328 -0.244 0.000 0.966 350 H CA 0.618 56.431 56.048 -0.391 0.000 1.165 350 H CB 0.834 30.244 29.762 -0.586 0.000 1.433 350 H HN 0.269 nan 8.280 nan 0.000 0.544 351 G N 0.570 109.241 108.800 -0.215 0.000 2.143 351 G HA2 -0.262 3.697 3.960 -0.000 0.000 0.248 351 G HA3 -0.262 3.697 3.960 -0.000 0.000 0.248 351 G C -0.224 174.540 174.900 -0.226 0.000 0.991 351 G CA 0.259 45.220 45.100 -0.232 0.000 0.689 351 G HN 0.287 nan 8.290 nan 0.000 0.522 352 L N -1.286 119.822 121.223 -0.191 0.000 2.436 352 L HA 0.534 4.873 4.340 -0.000 0.000 0.268 352 L C -0.236 176.587 176.870 -0.077 0.000 0.974 352 L CA -1.139 53.656 54.840 -0.076 0.000 0.826 352 L CB 1.521 43.661 42.059 0.136 0.000 1.291 352 L HN 0.172 nan 8.230 nan 0.000 0.406 353 W N 2.502 123.828 121.300 0.044 0.000 2.388 353 W HA 0.511 5.170 4.660 -0.000 0.000 0.308 353 W C 0.598 177.125 176.519 0.013 0.000 1.263 353 W CA -0.453 56.872 57.345 -0.033 0.000 1.286 353 W CB 1.118 30.518 29.460 -0.099 0.000 1.294 353 W HN 0.523 nan 8.180 nan 0.000 0.493 354 A N 6.733 129.718 122.820 0.275 0.000 2.492 354 A HA 0.323 4.642 4.320 -0.000 0.000 0.254 354 A C -2.173 175.448 177.584 0.062 0.000 1.091 354 A CA -1.172 50.897 52.037 0.054 0.000 0.768 354 A CB -0.307 18.661 19.000 -0.053 0.000 1.028 354 A HN 0.340 nan 8.150 nan 0.000 0.498 355 P HA 0.185 nan 4.420 nan 0.000 0.275 355 P C -0.386 176.901 177.300 -0.021 0.000 1.228 355 P CA -0.504 62.605 63.100 0.015 0.000 0.786 355 P CB 0.559 32.253 31.700 -0.010 0.000 0.927 356 N N 0.714 119.413 118.700 -0.001 0.000 2.444 356 N HA 0.219 4.958 4.740 -0.000 0.000 0.255 356 N C -0.122 175.338 175.510 -0.082 0.000 1.255 356 N CA 0.043 53.070 53.050 -0.038 0.000 0.933 356 N CB 0.026 38.493 38.487 -0.035 0.000 1.143 356 N HN 0.307 nan 8.380 nan 0.000 0.453 357 L N 1.092 122.225 121.223 -0.150 0.000 2.331 357 L HA 0.353 4.693 4.340 -0.000 0.000 0.268 357 L C 0.392 177.090 176.870 -0.288 0.000 1.015 357 L CA -0.816 53.823 54.840 -0.335 0.000 0.807 357 L CB 0.756 42.455 42.059 -0.599 0.000 1.293 357 L HN 0.727 nan 8.230 nan 0.000 0.451 358 H N -0.878 118.113 119.070 -0.132 0.000 3.047 358 H HA -0.232 4.324 4.556 -0.000 0.000 0.263 358 H C -0.456 174.647 175.328 -0.375 0.000 1.168 358 H CA 0.612 56.513 56.048 -0.245 0.000 1.152 358 H CB -1.879 27.833 29.762 -0.084 0.000 1.278 358 H HN 0.321 nan 8.280 nan 0.000 0.339 359 F N 2.559 122.247 119.950 -0.437 0.000 2.350 359 F HA 0.314 4.841 4.527 -0.000 0.000 0.365 359 F C 0.963 176.536 175.800 -0.378 0.000 1.122 359 F CA -0.548 57.280 58.000 -0.286 0.000 1.139 359 F CB 0.375 39.323 39.000 -0.087 0.000 1.220 359 F HN 0.025 nan 8.300 nan 0.000 0.499 360 H N 1.920 120.712 119.070 -0.464 0.000 2.326 360 H HA 0.218 4.774 4.556 -0.000 0.000 0.272 360 H C 0.290 175.300 175.328 -0.530 0.000 0.949 360 H CA 0.703 56.518 56.048 -0.389 0.000 1.175 360 H CB 0.247 29.911 29.762 -0.163 0.000 1.462 360 H HN 0.402 nan 8.280 nan 0.000 0.514 361 S N 2.846 118.324 115.700 -0.369 0.000 2.561 361 S HA 0.405 4.875 4.470 -0.000 0.000 0.303 361 S C -3.095 171.357 174.600 -0.247 0.000 1.110 361 S CA -1.673 56.358 58.200 -0.281 0.000 1.034 361 S CB 2.937 66.079 63.200 -0.097 0.000 1.010 361 S HN -0.137 nan 8.310 nan 0.000 0.482 362 P HA 0.018 nan 4.420 nan 0.000 0.264 362 P C -0.311 177.067 177.300 0.130 0.000 1.193 362 P CA -0.055 63.147 63.100 0.171 0.000 0.763 362 P CB 0.248 32.064 31.700 0.192 0.000 0.810 363 N N 5.843 124.655 118.700 0.188 0.000 2.411 363 N HA -0.035 4.705 4.740 -0.000 0.000 0.265 363 N C -1.188 174.374 175.510 0.087 0.000 1.266 363 N CA -1.299 51.824 53.050 0.123 0.000 0.889 363 N CB 0.277 38.848 38.487 0.140 0.000 1.069 363 N HN 0.257 nan 8.380 nan 0.000 0.476 364 P HA -0.092 nan 4.420 nan 0.000 0.228 364 P C -0.053 177.269 177.300 0.037 0.000 1.151 364 P CA 1.172 64.297 63.100 0.042 0.000 0.770 364 P CB 0.288 32.007 31.700 0.032 0.000 0.786 365 E N -0.425 119.800 120.200 0.041 0.000 2.444 365 E HA 0.172 4.522 4.350 -0.000 0.000 0.191 365 E C 0.396 177.012 176.600 0.026 0.000 1.041 365 E CA -0.104 56.316 56.400 0.033 0.000 0.883 365 E CB 0.009 29.731 29.700 0.037 0.000 1.024 365 E HN 0.357 nan 8.360 nan 0.000 0.470 366 I N 1.176 121.763 120.570 0.029 0.000 2.460 366 I HA 0.181 4.351 4.170 -0.000 0.000 0.277 366 I C -2.066 174.053 176.117 0.003 0.000 1.057 366 I CA -2.095 59.210 61.300 0.009 0.000 1.179 366 I CB 1.225 39.228 38.000 0.006 0.000 1.329 366 I HN -0.198 nan 8.210 nan 0.000 0.478 367 P HA -0.196 nan 4.420 nan 0.000 0.216 367 P C 1.603 178.895 177.300 -0.014 0.000 1.150 367 P CA 1.166 64.263 63.100 -0.004 0.000 0.837 367 P CB 0.373 32.069 31.700 -0.007 0.000 0.786 368 A N -1.122 121.678 122.820 -0.033 0.000 2.067 368 A HA -0.112 4.208 4.320 -0.000 0.000 0.219 368 A C 2.145 179.699 177.584 -0.049 0.000 1.158 368 A CA 1.103 53.110 52.037 -0.049 0.000 0.661 368 A CB -1.456 17.498 19.000 -0.077 0.000 0.801 368 A HN 0.136 nan 8.150 nan 0.000 0.452 369 L N -0.942 120.259 121.223 -0.037 0.000 2.044 369 L HA -0.089 4.251 4.340 -0.000 0.000 0.205 369 L C 2.388 179.277 176.870 0.033 0.000 1.075 369 L CA 0.901 55.737 54.840 -0.007 0.000 0.747 369 L CB -0.422 41.660 42.059 0.038 0.000 0.903 369 L HN 0.358 nan 8.230 nan 0.000 0.435 370 L N 0.089 121.329 121.223 0.030 0.000 2.217 370 L HA -0.168 4.172 4.340 -0.000 0.000 0.211 370 L C 1.834 178.715 176.870 0.018 0.000 1.107 370 L CA 1.050 55.908 54.840 0.031 0.000 0.783 370 L CB -0.543 41.531 42.059 0.025 0.000 0.919 370 L HN 0.432 nan 8.230 nan 0.000 0.442 371 D N -1.288 119.115 120.400 0.005 0.000 2.350 371 D HA 0.075 4.714 4.640 -0.000 0.000 0.213 371 D C 1.478 177.776 176.300 -0.003 0.000 1.031 371 D CA 0.701 54.701 54.000 0.000 0.000 0.861 371 D CB 0.381 41.178 40.800 -0.005 0.000 0.926 371 D HN 0.181 nan 8.370 nan 0.000 0.520 372 G N 0.536 109.333 108.800 -0.005 0.000 2.176 372 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.253 372 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.253 372 G C 1.281 176.165 174.900 -0.028 0.000 0.979 372 G CA 0.249 45.343 45.100 -0.009 0.000 0.641 372 G HN 0.377 nan 8.290 nan 0.000 0.530 373 R N -0.723 119.753 120.500 -0.039 0.000 2.115 373 R HA 0.248 4.588 4.340 -0.000 0.000 0.226 373 R C 1.000 177.250 176.300 -0.084 0.000 1.100 373 R CA 0.777 56.845 56.100 -0.054 0.000 0.980 373 R CB -0.012 30.255 30.300 -0.054 0.000 0.875 373 R HN 0.397 nan 8.270 nan 0.000 0.445 374 L N 1.194 122.354 121.223 -0.105 0.000 2.313 374 L HA 0.315 4.655 4.340 -0.000 0.000 0.283 374 L C -0.588 176.190 176.870 -0.153 0.000 1.013 374 L CA -0.444 54.296 54.840 -0.166 0.000 0.816 374 L CB 1.851 43.777 42.059 -0.221 0.000 1.236 374 L HN 0.078 nan 8.230 nan 0.000 0.419 375 Q N 3.151 122.852 119.800 -0.165 0.000 2.357 375 Q HA 0.372 4.712 4.340 -0.000 0.000 0.266 375 Q C -1.282 174.605 176.000 -0.188 0.000 1.021 375 Q CA -0.646 55.081 55.803 -0.126 0.000 0.784 375 Q CB 2.207 30.910 28.738 -0.059 0.000 1.243 375 Q HN 0.430 nan 8.270 nan 0.000 0.465 376 V N 4.024 123.792 119.914 -0.243 0.000 2.572 376 V HA 0.044 4.164 4.120 -0.000 0.000 0.291 376 V C 0.181 176.202 176.094 -0.122 0.000 1.039 376 V CA -0.196 61.915 62.300 -0.314 0.000 1.055 376 V CB 1.277 32.647 31.823 -0.756 0.000 0.969 376 V HN 0.581 nan 8.190 nan 0.000 0.482 377 V N 5.818 125.707 119.914 -0.042 0.000 2.352 377 V HA 0.141 4.260 4.120 -0.000 0.000 0.253 377 V C 0.689 176.816 176.094 0.055 0.000 1.083 377 V CA -0.022 62.309 62.300 0.052 0.000 0.993 377 V CB 0.359 32.263 31.823 0.135 0.000 1.111 377 V HN 1.105 nan 8.190 nan 0.000 0.490 378 D N 2.417 122.861 120.400 0.072 0.000 2.431 378 D HA 0.120 4.760 4.640 -0.000 0.000 0.213 378 D C 0.393 176.736 176.300 0.071 0.000 1.130 378 D CA -0.079 53.976 54.000 0.092 0.000 0.834 378 D CB 0.592 41.511 40.800 0.198 0.000 0.985 378 D HN 0.527 nan 8.370 nan 0.000 0.504 379 Q N 0.516 120.359 119.800 0.072 0.000 2.389 379 Q HA 0.356 4.695 4.340 -0.000 0.000 0.277 379 Q C -2.701 173.343 176.000 0.073 0.000 1.082 379 Q CA -2.299 53.540 55.803 0.060 0.000 0.810 379 Q CB 3.091 31.869 28.738 0.067 0.000 1.374 379 Q HN -0.167 nan 8.270 nan 0.000 0.422 380 P HA 0.040 nan 4.420 nan 0.000 0.252 380 P C -0.664 176.694 177.300 0.097 0.000 1.694 380 P CA 0.350 63.489 63.100 0.064 0.000 1.163 380 P CB -0.365 31.343 31.700 0.014 0.000 1.934 381 L N 4.543 125.862 121.223 0.160 0.000 2.456 381 L HA 0.227 4.567 4.340 -0.000 0.000 0.272 381 L C -1.593 175.366 176.870 0.149 0.000 1.189 381 L CA -1.948 53.003 54.840 0.186 0.000 0.846 381 L CB -0.216 42.010 42.059 0.279 0.000 1.111 381 L HN 0.091 nan 8.230 nan 0.000 0.475 382 P HA 0.098 nan 4.420 nan 0.000 0.274 382 P C -0.644 176.635 177.300 -0.035 0.000 1.237 382 P CA -0.385 62.714 63.100 -0.002 0.000 0.793 382 P CB 0.977 32.685 31.700 0.012 0.000 0.977 383 V N 4.343 124.126 119.914 -0.218 0.000 2.432 383 V HA 0.132 4.252 4.120 -0.000 0.000 0.271 383 V C 1.743 177.816 176.094 -0.036 0.000 1.046 383 V CA 0.037 62.186 62.300 -0.253 0.000 0.945 383 V CB 0.571 32.071 31.823 -0.540 0.000 0.992 383 V HN 0.510 nan 8.190 nan 0.000 0.471 384 R N 2.931 123.488 120.500 0.095 0.000 2.206 384 R HA 0.372 4.711 4.340 -0.000 0.000 0.198 384 R C 0.828 177.164 176.300 0.060 0.000 0.986 384 R CA 0.765 56.910 56.100 0.075 0.000 1.029 384 R CB 0.534 30.894 30.300 0.101 0.000 0.966 384 R HN 0.955 nan 8.270 nan 0.000 0.487 385 G N -0.637 108.218 108.800 0.090 0.000 2.435 385 G HA2 0.353 4.313 3.960 -0.000 0.000 0.603 385 G HA3 0.353 4.313 3.960 -0.000 0.000 0.603 385 G C -0.459 174.493 174.900 0.087 0.000 1.496 385 G CA -0.358 44.780 45.100 0.062 0.000 0.896 385 G HN 0.482 nan 8.290 nan 0.000 0.657 386 G N 0.681 109.516 108.800 0.059 0.000 2.357 386 G HA2 0.419 4.378 3.960 -0.000 0.000 0.643 386 G HA3 0.419 4.378 3.960 -0.000 0.000 0.643 386 G C -0.608 174.298 174.900 0.010 0.000 1.358 386 G CA -0.195 44.922 45.100 0.027 0.000 0.986 386 G HN 1.193 nan 8.290 nan 0.000 0.620 387 N N -1.327 117.292 118.700 -0.134 0.000 2.399 387 N HA 0.542 5.281 4.740 -0.000 0.000 0.250 387 N C -0.025 175.455 175.510 -0.049 0.000 1.272 387 N CA -0.016 52.892 53.050 -0.238 0.000 0.928 387 N CB 1.563 39.641 38.487 -0.682 0.000 1.158 387 N HN 0.583 nan 8.380 nan 0.000 0.463 388 V N -0.463 119.489 119.914 0.063 0.000 2.656 388 V HA 0.688 4.808 4.120 -0.000 0.000 0.307 388 V C 0.537 176.820 176.094 0.315 0.000 1.051 388 V CA -0.914 61.554 62.300 0.281 0.000 0.893 388 V CB 1.816 33.820 31.823 0.302 0.000 0.999 388 V HN 0.753 nan 8.190 nan 0.000 0.426 389 G N 3.511 112.540 108.800 0.381 0.000 2.432 389 G HA2 0.834 4.794 3.960 -0.000 0.000 0.331 389 G HA3 0.834 4.794 3.960 -0.000 0.000 0.331 389 G C -1.189 173.740 174.900 0.048 0.000 1.170 389 G CA -0.595 44.640 45.100 0.225 0.000 0.943 389 G HN 0.583 nan 8.290 nan 0.000 0.483 390 I N 1.383 121.875 120.570 -0.131 0.000 2.569 390 I HA 0.285 4.455 4.170 -0.000 0.000 0.290 390 I C -1.225 174.823 176.117 -0.114 0.000 1.088 390 I CA -1.045 60.205 61.300 -0.083 0.000 1.047 390 I CB 2.463 40.429 38.000 -0.057 0.000 1.237 390 I HN 0.258 nan 8.210 nan 0.000 0.421 391 N N 3.169 121.805 118.700 -0.107 0.000 2.361 391 N HA 0.513 5.252 4.740 -0.000 0.000 0.302 391 N C -1.056 174.154 175.510 -0.501 0.000 1.074 391 N CA -0.439 52.422 53.050 -0.313 0.000 0.850 391 N CB 2.275 40.448 38.487 -0.523 0.000 1.228 391 N HN 0.463 nan 8.380 nan 0.000 0.491 392 S N 1.609 116.925 115.700 -0.640 0.000 2.750 392 S HA 0.588 5.057 4.470 -0.000 0.000 0.276 392 S C -1.858 172.408 174.600 -0.557 0.000 1.165 392 S CA -0.568 57.339 58.200 -0.487 0.000 1.047 392 S CB -0.176 62.940 63.200 -0.141 0.000 1.056 392 S HN 0.273 nan 8.310 nan 0.000 0.481 393 F N 2.528 122.005 119.950 -0.789 0.000 2.449 393 F HA 0.617 5.144 4.527 -0.000 0.000 0.342 393 F C 0.995 176.541 175.800 -0.423 0.000 1.127 393 F CA -1.222 56.451 58.000 -0.545 0.000 0.975 393 F CB 1.350 40.071 39.000 -0.466 0.000 1.146 393 F HN 0.584 nan 8.300 nan 0.000 0.444 394 G N 1.598 110.407 108.800 0.016 0.000 2.503 394 G HA2 0.279 4.239 3.960 -0.000 0.000 0.257 394 G HA3 0.279 4.239 3.960 -0.000 0.000 0.257 394 G C 0.481 175.439 174.900 0.098 0.000 1.214 394 G CA -0.553 44.570 45.100 0.038 0.000 0.839 394 G HN 0.697 nan 8.290 nan 0.000 0.559 395 F N -0.066 119.964 119.950 0.133 0.000 2.604 395 F HA 0.186 4.712 4.527 -0.000 0.000 0.298 395 F C 1.764 177.630 175.800 0.110 0.000 1.131 395 F CA 0.394 58.480 58.000 0.144 0.000 1.457 395 F CB 0.046 39.173 39.000 0.210 0.000 1.095 395 F HN 0.351 nan 8.300 nan 0.000 0.574 396 G N -0.442 108.197 108.800 -0.270 0.000 3.042 396 G HA2 0.355 4.315 3.960 -0.000 0.000 0.212 396 G HA3 0.355 4.315 3.960 -0.000 0.000 0.212 396 G C 1.339 176.210 174.900 -0.048 0.000 1.166 396 G CA 0.121 45.121 45.100 -0.167 0.000 0.767 396 G HN 1.013 nan 8.290 nan 0.000 0.546 397 G N -0.640 108.147 108.800 -0.023 0.000 2.179 397 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.220 397 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.220 397 G C 0.359 175.241 174.900 -0.031 0.000 0.990 397 G CA 0.122 45.209 45.100 -0.020 0.000 0.646 397 G HN 0.509 nan 8.290 nan 0.000 0.517 398 S N 1.846 117.530 115.700 -0.027 0.000 2.448 398 S HA 0.480 4.950 4.470 -0.000 0.000 0.279 398 S C 0.179 174.802 174.600 0.037 0.000 1.195 398 S CA -0.462 57.735 58.200 -0.005 0.000 1.051 398 S CB 0.465 63.658 63.200 -0.011 0.000 0.948 398 S HN 0.436 nan 8.310 nan 0.000 0.493 399 N N 2.252 120.983 118.700 0.052 0.000 2.405 399 N HA 0.540 5.280 4.740 -0.000 0.000 0.299 399 N C -0.932 174.680 175.510 0.171 0.000 1.075 399 N CA -0.444 52.715 53.050 0.182 0.000 0.884 399 N CB 1.782 40.294 38.487 0.041 0.000 1.194 399 N HN 0.223 nan 8.380 nan 0.000 0.491 400 V N 1.034 121.077 119.914 0.215 0.000 2.789 400 V HA 0.375 4.495 4.120 -0.000 0.000 0.311 400 V C -0.923 175.268 176.094 0.162 0.000 1.073 400 V CA -0.684 61.688 62.300 0.120 0.000 0.921 400 V CB 1.965 33.807 31.823 0.032 0.000 1.009 400 V HN 0.802 nan 8.190 nan 0.000 0.426 401 H N 3.625 122.710 119.070 0.025 0.000 2.894 401 H HA 0.803 5.359 4.556 -0.000 0.000 0.367 401 H C -1.082 174.230 175.328 -0.027 0.000 1.144 401 H CA -0.539 55.515 56.048 0.010 0.000 1.180 401 H CB 1.827 31.621 29.762 0.053 0.000 1.758 401 H HN 0.812 nan 8.280 nan 0.000 0.541 402 I N 2.582 122.799 120.570 -0.588 0.000 2.828 402 I HA 0.590 4.760 4.170 -0.000 0.000 0.302 402 I C -1.446 174.406 176.117 -0.443 0.000 1.101 402 I CA -1.114 59.938 61.300 -0.414 0.000 1.031 402 I CB 2.447 40.291 38.000 -0.261 0.000 1.231 402 I HN 0.506 nan 8.210 nan 0.000 0.427 403 I N 5.502 125.944 120.570 -0.213 0.000 2.406 403 I HA 0.467 4.637 4.170 -0.000 0.000 0.290 403 I C -0.741 175.330 176.117 -0.076 0.000 0.999 403 I CA -0.621 60.653 61.300 -0.043 0.000 1.124 403 I CB 1.956 40.012 38.000 0.093 0.000 1.289 403 I HN 0.433 nan 8.210 nan 0.000 0.441 404 L N 5.861 127.063 121.223 -0.034 0.000 2.346 404 L HA 0.595 4.935 4.340 -0.000 0.000 0.274 404 L C -0.110 176.741 176.870 -0.031 0.000 1.007 404 L CA -0.755 54.072 54.840 -0.023 0.000 0.818 404 L CB 2.064 44.137 42.059 0.025 0.000 1.284 404 L HN 0.553 nan 8.230 nan 0.000 0.424 405 R N 3.451 123.938 120.500 -0.022 0.000 2.275 405 R HA 0.417 4.757 4.340 -0.000 0.000 0.326 405 R C -2.566 173.738 176.300 0.007 0.000 0.973 405 R CA -1.563 54.523 56.100 -0.023 0.000 0.854 405 R CB 1.262 31.546 30.300 -0.026 0.000 1.156 405 R HN 0.242 nan 8.270 nan 0.000 0.487 406 P HA -0.050 nan 4.420 nan 0.000 0.267 406 P C -1.038 176.266 177.300 0.006 0.000 1.200 406 P CA -0.138 62.976 63.100 0.023 0.000 0.772 406 P CB 0.530 32.240 31.700 0.017 0.000 0.855 407 N N 1.333 120.037 118.700 0.007 0.000 2.442 407 N HA 0.091 4.831 4.740 -0.000 0.000 0.265 407 N C 0.327 175.819 175.510 -0.029 0.000 1.138 407 N CA 0.109 53.154 53.050 -0.010 0.000 0.956 407 N CB -0.029 38.448 38.487 -0.017 0.000 1.067 407 N HN 0.318 nan 8.380 nan 0.000 0.474 408 T N 0.066 114.603 114.554 -0.029 0.000 3.174 408 T HA 0.114 4.464 4.350 -0.000 0.000 0.269 408 T C 0.491 175.166 174.700 -0.041 0.000 1.017 408 T CA -0.494 61.582 62.100 -0.040 0.000 0.899 408 T CB -0.281 68.568 68.868 -0.032 0.000 1.077 408 T HN 0.514 nan 8.240 nan 0.000 0.552 409 Q N 4.149 123.926 119.800 -0.039 0.000 2.339 409 Q HA 0.134 4.474 4.340 -0.000 0.000 0.308 409 Q C -2.242 173.728 176.000 -0.050 0.000 1.097 409 Q CA -0.987 54.792 55.803 -0.039 0.000 1.007 409 Q CB 0.398 29.114 28.738 -0.037 0.000 1.051 409 Q HN 0.276 nan 8.270 nan 0.000 0.381 410 P HA 0.256 nan 4.420 nan 0.000 0.276 410 P C -2.546 174.721 177.300 -0.054 0.000 1.252 410 P CA -1.509 61.562 63.100 -0.049 0.000 0.802 410 P CB 0.134 31.810 31.700 -0.039 0.000 1.035 411 P HA 0.197 nan 4.420 nan 0.000 0.269 411 P C -2.057 175.212 177.300 -0.052 0.000 1.215 411 P CA -0.830 62.236 63.100 -0.057 0.000 0.780 411 P CB -1.337 30.331 31.700 -0.054 0.000 0.898 412 P HA 0.125 nan 4.420 nan 0.000 0.269 412 P C -0.748 176.526 177.300 -0.044 0.000 1.215 412 P CA -0.193 62.878 63.100 -0.049 0.000 0.780 412 P CB 0.275 31.944 31.700 -0.052 0.000 0.898 413 A N 3.331 126.129 122.820 -0.037 0.000 2.425 413 A HA 0.428 4.748 4.320 -0.000 0.000 0.249 413 A C -1.824 175.731 177.584 -0.049 0.000 1.084 413 A CA -1.084 50.931 52.037 -0.036 0.000 0.781 413 A CB -1.460 17.525 19.000 -0.025 0.000 1.019 413 A HN 0.440 nan 8.150 nan 0.000 0.490 414 P HA 0.325 nan 4.420 nan 0.000 0.261 414 P C -0.294 176.954 177.300 -0.086 0.000 1.183 414 P CA 0.673 63.730 63.100 -0.072 0.000 0.761 414 P CB 0.642 32.310 31.700 -0.054 0.000 0.785 415 A N 5.368 128.095 122.820 -0.154 0.000 2.430 415 A HA 0.664 4.984 4.320 -0.000 0.000 0.300 415 A C -1.801 175.653 177.584 -0.216 0.000 1.124 415 A CA -1.270 50.661 52.037 -0.176 0.000 0.766 415 A CB 0.652 19.522 19.000 -0.217 0.000 1.328 415 A HN 0.260 nan 8.150 nan 0.000 0.424 416 P HA -0.147 nan 4.420 nan 0.000 0.215 416 P C 0.996 178.271 177.300 -0.042 0.000 1.157 416 P CA 2.105 65.177 63.100 -0.046 0.000 0.863 416 P CB -0.222 31.494 31.700 0.027 0.000 0.787 417 H N -0.768 118.329 119.070 0.045 0.000 2.491 417 H HA 0.172 4.728 4.556 -0.000 0.000 0.290 417 H C 1.626 176.978 175.328 0.039 0.000 1.050 417 H CA 1.098 57.192 56.048 0.076 0.000 1.309 417 H CB -1.209 28.621 29.762 0.114 0.000 1.392 417 H HN 0.040 nan 8.280 nan 0.000 0.554 418 A N 0.724 123.225 122.820 -0.532 0.000 2.178 418 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 418 A C 2.228 179.744 177.584 -0.114 0.000 1.157 418 A CA 1.511 53.366 52.037 -0.302 0.000 0.689 418 A CB -1.008 17.784 19.000 -0.347 0.000 0.787 418 A HN 0.728 nan 8.150 nan 0.000 0.465 419 T N -2.041 112.473 114.554 -0.067 0.000 3.067 419 T HA 0.326 4.676 4.350 -0.000 0.000 0.257 419 T C 0.679 175.391 174.700 0.018 0.000 1.105 419 T CA -0.174 61.915 62.100 -0.019 0.000 1.104 419 T CB -0.457 68.406 68.868 -0.008 0.000 0.925 419 T HN 0.253 nan 8.240 nan 0.000 0.498 420 L N 2.691 123.946 121.223 0.053 0.000 2.467 420 L HA 0.306 4.645 4.340 -0.000 0.000 0.270 420 L C -1.822 175.066 176.870 0.031 0.000 1.205 420 L CA -2.099 52.800 54.840 0.099 0.000 0.828 420 L CB -0.112 42.089 42.059 0.237 0.000 1.101 420 L HN 0.036 nan 8.230 nan 0.000 0.479 421 P HA 0.220 nan 4.420 nan 0.000 0.273 421 P C -0.917 176.346 177.300 -0.062 0.000 1.250 421 P CA -0.377 62.743 63.100 0.033 0.000 0.793 421 P CB 0.744 32.503 31.700 0.099 0.000 1.011 422 R N -0.015 120.428 120.500 -0.095 0.000 2.771 422 R HA 0.541 4.881 4.340 -0.000 0.000 0.274 422 R C -0.871 175.423 176.300 -0.011 0.000 0.987 422 R CA -1.152 54.819 56.100 -0.216 0.000 0.908 422 R CB 1.302 31.421 30.300 -0.302 0.000 1.213 422 R HN 0.388 nan 8.270 nan 0.000 0.468 423 L N 2.343 123.598 121.223 0.053 0.000 2.295 423 L HA 0.516 4.856 4.340 -0.000 0.000 0.285 423 L C -1.144 175.743 176.870 0.028 0.000 1.035 423 L CA -0.623 54.260 54.840 0.070 0.000 0.806 423 L CB 1.162 43.265 42.059 0.072 0.000 1.214 423 L HN 0.515 nan 8.230 nan 0.000 0.426 424 L N 5.810 127.056 121.223 0.038 0.000 2.333 424 L HA 0.681 5.021 4.340 -0.000 0.000 0.280 424 L C -0.542 176.328 176.870 -0.000 0.000 1.004 424 L CA -0.266 54.572 54.840 -0.004 0.000 0.820 424 L CB 1.157 43.214 42.059 -0.004 0.000 1.247 424 L HN 0.828 nan 8.230 nan 0.000 0.416 425 R N 4.475 124.917 120.500 -0.097 0.000 2.732 425 R HA 1.010 5.350 4.340 -0.000 0.000 0.278 425 R C -1.254 174.961 176.300 -0.141 0.000 0.976 425 R CA -0.709 55.267 56.100 -0.206 0.000 0.963 425 R CB 1.703 31.619 30.300 -0.641 0.000 1.150 425 R HN 0.720 nan 8.270 nan 0.000 0.478 426 A N 1.275 124.090 122.820 -0.009 0.000 2.572 426 A HA 0.690 5.010 4.320 -0.000 0.000 0.295 426 A C -1.210 176.506 177.584 0.219 0.000 1.072 426 A CA -0.795 51.282 52.037 0.066 0.000 0.691 426 A CB 2.351 21.373 19.000 0.037 0.000 1.291 426 A HN 0.695 nan 8.150 nan 0.000 0.404 427 S N -0.908 114.878 115.700 0.143 0.000 2.595 427 S HA 0.954 5.424 4.470 -0.000 0.000 0.281 427 S C -0.141 174.480 174.600 0.035 0.000 1.117 427 S CA -0.118 58.160 58.200 0.130 0.000 0.873 427 S CB 2.128 65.412 63.200 0.141 0.000 1.108 427 S HN 1.934 nan 8.310 nan 0.000 0.477 428 G N 0.282 109.098 108.800 0.027 0.000 2.601 428 G HA2 0.420 4.380 3.960 -0.000 0.000 0.291 428 G HA3 0.420 4.380 3.960 -0.000 0.000 0.291 428 G C -0.292 174.606 174.900 -0.003 0.000 1.456 428 G CA -0.719 44.344 45.100 -0.062 0.000 0.804 428 G HN 0.407 nan 8.290 nan 0.000 0.499 429 R N -0.802 119.612 120.500 -0.143 0.000 2.148 429 R HA 0.078 4.418 4.340 -0.000 0.000 0.223 429 R C 1.250 177.604 176.300 0.089 0.000 1.088 429 R CA 1.593 57.659 56.100 -0.055 0.000 0.985 429 R CB -0.302 29.878 30.300 -0.201 0.000 0.880 429 R HN 0.800 nan 8.270 nan 0.000 0.451 430 T N -4.413 110.090 114.554 -0.085 0.000 2.841 430 T HA 0.358 4.708 4.350 -0.000 0.000 0.296 430 T C -2.517 171.826 174.700 -0.595 0.000 1.166 430 T CA -1.763 60.084 62.100 -0.422 0.000 1.007 430 T CB 2.746 71.433 68.868 -0.302 0.000 1.253 430 T HN -0.305 nan 8.240 nan 0.000 0.511 431 P HA 0.034 nan 4.420 nan 0.000 0.217 431 P C 1.054 178.195 177.300 -0.264 0.000 1.150 431 P CA 1.020 63.795 63.100 -0.541 0.000 0.832 431 P CB 0.050 31.443 31.700 -0.511 0.000 0.787 432 E N -0.143 119.909 120.200 -0.246 0.000 2.153 432 E HA -0.115 4.235 4.350 -0.000 0.000 0.194 432 E C 2.120 178.644 176.600 -0.127 0.000 0.988 432 E CA 1.385 57.696 56.400 -0.147 0.000 0.811 432 E CB -0.987 28.641 29.700 -0.120 0.000 0.746 432 E HN 0.153 nan 8.360 nan 0.000 0.466 433 A N 0.506 123.229 122.820 -0.162 0.000 1.902 433 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 433 A C 2.439 179.961 177.584 -0.104 0.000 1.181 433 A CA 1.330 53.271 52.037 -0.159 0.000 0.623 433 A CB -0.636 18.227 19.000 -0.229 0.000 0.818 433 A HN 0.151 nan 8.150 nan 0.000 0.443 434 V N -0.266 119.601 119.914 -0.079 0.000 2.270 434 V HA -0.308 3.812 4.120 -0.000 0.000 0.245 434 V C 2.618 178.694 176.094 -0.029 0.000 1.043 434 V CA 2.227 64.512 62.300 -0.026 0.000 1.014 434 V CB -1.052 30.784 31.823 0.022 0.000 0.645 434 V HN 0.633 nan 8.190 nan 0.000 0.447 435 Q N -0.016 119.756 119.800 -0.047 0.000 2.112 435 Q HA -0.307 4.033 4.340 -0.000 0.000 0.206 435 Q C 2.297 178.284 176.000 -0.021 0.000 0.987 435 Q CA 2.177 57.957 55.803 -0.038 0.000 0.858 435 Q CB -0.319 28.389 28.738 -0.051 0.000 0.905 435 Q HN 0.449 nan 8.270 nan 0.000 0.420 436 K N 0.991 121.376 120.400 -0.024 0.000 2.057 436 K HA -0.127 4.193 4.320 -0.000 0.000 0.207 436 K C 1.681 178.298 176.600 0.028 0.000 1.049 436 K CA 1.377 57.665 56.287 0.002 0.000 0.931 436 K CB -0.385 32.110 32.500 -0.009 0.000 0.714 436 K HN 0.198 nan 8.250 nan 0.000 0.440 437 L N 0.144 121.373 121.223 0.010 0.000 2.056 437 L HA -0.124 4.216 4.340 -0.000 0.000 0.207 437 L C 2.373 179.261 176.870 0.030 0.000 1.078 437 L CA 1.081 55.933 54.840 0.020 0.000 0.749 437 L CB -0.433 41.616 42.059 -0.017 0.000 0.901 437 L HN 0.131 nan 8.230 nan 0.000 0.433 438 L N -0.314 120.917 121.223 0.014 0.000 2.093 438 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 438 L C 2.661 179.550 176.870 0.031 0.000 1.085 438 L CA 1.424 56.272 54.840 0.014 0.000 0.755 438 L CB -0.597 41.456 42.059 -0.010 0.000 0.904 438 L HN 0.389 nan 8.230 nan 0.000 0.435 439 E N -0.097 120.121 120.200 0.030 0.000 2.077 439 E HA -0.252 4.098 4.350 -0.000 0.000 0.193 439 E C 2.167 178.807 176.600 0.066 0.000 0.989 439 E CA 1.061 57.480 56.400 0.032 0.000 0.800 439 E CB 0.073 29.786 29.700 0.021 0.000 0.746 439 E HN 0.408 nan 8.360 nan 0.000 0.452 440 Q N 0.072 119.947 119.800 0.126 0.000 2.119 440 Q HA -0.050 4.289 4.340 -0.000 0.000 0.201 440 Q C 2.228 178.452 176.000 0.372 0.000 0.972 440 Q CA 1.370 57.318 55.803 0.241 0.000 0.847 440 Q CB -0.607 28.332 28.738 0.335 0.000 0.903 440 Q HN 0.471 nan 8.270 nan 0.000 0.433 441 G N 1.263 110.234 108.800 0.286 0.000 2.421 441 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.216 441 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.216 441 G C 1.491 176.498 174.900 0.179 0.000 1.171 441 G CA 0.898 46.153 45.100 0.258 0.000 0.775 441 G HN 0.351 nan 8.290 nan 0.000 0.543 442 L N 0.921 122.199 121.223 0.093 0.000 2.042 442 L HA 0.002 4.342 4.340 -0.000 0.000 0.210 442 L C 2.736 179.606 176.870 -0.000 0.000 1.076 442 L CA 2.467 57.331 54.840 0.040 0.000 0.749 442 L CB -0.593 41.475 42.059 0.015 0.000 0.893 442 L HN 0.313 nan 8.230 nan 0.000 0.432 443 R N -1.449 119.022 120.500 -0.047 0.000 2.120 443 R HA -0.139 4.201 4.340 -0.000 0.000 0.234 443 R C 0.518 176.597 176.300 -0.368 0.000 1.123 443 R CA 1.431 57.397 56.100 -0.224 0.000 0.975 443 R CB -0.267 29.850 30.300 -0.306 0.000 0.866 443 R HN 0.553 nan 8.270 nan 0.000 0.446 444 H N 0.191 119.294 119.070 0.056 0.000 2.505 444 H HA 0.121 4.677 4.556 -0.000 0.000 0.260 444 H C 0.927 176.314 175.328 0.099 0.000 1.232 444 H CA 0.388 56.455 56.048 0.031 0.000 0.991 444 H CB 1.068 30.775 29.762 -0.092 0.000 1.729 444 H HN 0.301 nan 8.280 nan 0.000 0.561 445 S N -0.176 115.594 115.700 0.117 0.000 2.469 445 S HA -0.152 4.318 4.470 -0.000 0.000 0.238 445 S C 1.463 176.099 174.600 0.060 0.000 0.998 445 S CA 0.906 59.157 58.200 0.086 0.000 0.957 445 S CB 0.127 63.352 63.200 0.041 0.000 0.764 445 S HN 0.356 nan 8.310 nan 0.000 0.514 446 Q N 0.686 120.519 119.800 0.056 0.000 2.319 446 Q HA 0.270 4.610 4.340 -0.000 0.000 0.202 446 Q C -0.193 175.827 176.000 0.034 0.000 0.896 446 Q CA 0.055 55.873 55.803 0.025 0.000 0.942 446 Q CB 0.319 29.060 28.738 0.005 0.000 1.083 446 Q HN 0.411 nan 8.270 nan 0.000 0.510 447 D N 0.690 121.142 120.400 0.087 0.000 2.483 447 D HA 0.054 4.694 4.640 -0.000 0.000 0.220 447 D C 0.723 177.088 176.300 0.108 0.000 1.173 447 D CA 0.031 54.084 54.000 0.087 0.000 0.964 447 D CB 0.438 41.296 40.800 0.097 0.000 1.046 447 D HN 0.223 nan 8.370 nan 0.000 0.517 448 L N 2.356 123.603 121.223 0.041 0.000 2.042 448 L HA -0.213 4.126 4.340 -0.000 0.000 0.210 448 L C 2.494 179.382 176.870 0.029 0.000 1.076 448 L CA 1.357 56.208 54.840 0.019 0.000 0.749 448 L CB -0.440 41.621 42.059 0.004 0.000 0.893 448 L HN 0.345 nan 8.230 nan 0.000 0.432 449 A N -0.134 122.697 122.820 0.019 0.000 1.902 449 A HA -0.262 4.057 4.320 -0.000 0.000 0.217 449 A C 2.174 179.866 177.584 0.180 0.000 1.181 449 A CA 1.532 53.592 52.037 0.038 0.000 0.623 449 A CB -0.793 18.200 19.000 -0.011 0.000 0.818 449 A HN 0.386 nan 8.150 nan 0.000 0.443 450 F N 0.761 120.713 119.950 0.004 0.000 2.102 450 F HA -0.134 4.393 4.527 -0.000 0.000 0.298 450 F C 1.906 177.721 175.800 0.024 0.000 1.105 450 F CA 1.674 59.672 58.000 -0.002 0.000 1.239 450 F CB -0.411 38.559 39.000 -0.050 0.000 0.991 450 F HN 0.141 nan 8.300 nan 0.000 0.474 451 L N -1.000 120.200 121.223 -0.038 0.000 2.093 451 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 451 L C 2.719 179.534 176.870 -0.091 0.000 1.085 451 L CA 1.380 56.137 54.840 -0.137 0.000 0.755 451 L CB -1.105 40.934 42.059 -0.034 0.000 0.904 451 L HN 0.208 nan 8.230 nan 0.000 0.435 452 S N 0.007 115.709 115.700 0.005 0.000 2.368 452 S HA -0.177 4.292 4.470 -0.000 0.000 0.225 452 S C 2.063 176.702 174.600 0.064 0.000 1.030 452 S CA 1.323 59.568 58.200 0.074 0.000 0.999 452 S CB -0.080 63.222 63.200 0.170 0.000 0.844 452 S HN 0.283 nan 8.310 nan 0.000 0.459 453 M N 0.559 120.190 119.600 0.053 0.000 2.156 453 M HA 0.017 4.497 4.480 -0.000 0.000 0.264 453 M C 2.113 178.348 176.300 -0.109 0.000 1.067 453 M CA 1.142 56.429 55.300 -0.022 0.000 1.131 453 M CB -0.444 32.153 32.600 -0.004 0.000 1.368 453 M HN 0.313 nan 8.290 nan 0.000 0.416 454 L N 0.170 121.263 121.223 -0.217 0.000 2.042 454 L HA -0.265 4.075 4.340 -0.000 0.000 0.210 454 L C 2.172 178.963 176.870 -0.132 0.000 1.076 454 L CA 1.095 55.797 54.840 -0.230 0.000 0.749 454 L CB -0.915 40.923 42.059 -0.369 0.000 0.893 454 L HN 0.372 nan 8.230 nan 0.000 0.432 455 N N -0.045 118.590 118.700 -0.109 0.000 2.223 455 N HA -0.180 4.560 4.740 -0.000 0.000 0.185 455 N C 1.408 176.887 175.510 -0.052 0.000 1.016 455 N CA 1.254 54.257 53.050 -0.078 0.000 0.863 455 N CB -0.316 38.144 38.487 -0.045 0.000 0.983 455 N HN 0.302 nan 8.380 nan 0.000 0.429 456 D N 0.520 120.897 120.400 -0.038 0.000 2.224 456 D HA -0.039 4.601 4.640 -0.000 0.000 0.205 456 D C 1.802 178.089 176.300 -0.021 0.000 0.965 456 D CA 0.398 54.381 54.000 -0.028 0.000 0.852 456 D CB 0.006 40.779 40.800 -0.045 0.000 0.947 456 D HN 0.535 nan 8.370 nan 0.000 0.494 457 I N -2.861 117.693 120.570 -0.027 0.000 3.793 457 I HA 0.293 4.463 4.170 -0.000 0.000 0.315 457 I C 1.688 177.829 176.117 0.041 0.000 1.275 457 I CA 0.026 61.329 61.300 0.005 0.000 1.214 457 I CB 0.202 38.199 38.000 -0.005 0.000 1.018 457 I HN -0.214 nan 8.210 nan 0.000 0.439 458 A N 1.523 124.357 122.820 0.022 0.000 2.123 458 A HA 0.495 4.815 4.320 -0.000 0.000 0.214 458 A C 1.796 179.464 177.584 0.139 0.000 1.152 458 A CA 0.551 52.625 52.037 0.061 0.000 0.728 458 A CB -0.373 18.605 19.000 -0.037 0.000 0.814 458 A HN 0.513 nan 8.150 nan 0.000 0.464 459 A N 0.791 123.673 122.820 0.104 0.000 3.026 459 A HA 0.508 4.828 4.320 -0.000 0.000 0.272 459 A C -0.222 177.427 177.584 0.108 0.000 1.782 459 A CA -0.025 52.083 52.037 0.118 0.000 1.451 459 A CB -0.874 18.170 19.000 0.075 0.000 1.081 459 A HN 0.208 nan 8.150 nan 0.000 0.611 460 V N 3.391 123.378 119.914 0.122 0.000 2.495 460 V HA 0.369 4.488 4.120 -0.000 0.000 0.298 460 V C -2.121 174.012 176.094 0.065 0.000 1.031 460 V CA -1.770 60.599 62.300 0.115 0.000 0.871 460 V CB 1.778 33.700 31.823 0.165 0.000 0.988 460 V HN 0.608 nan 8.190 nan 0.000 0.432 461 P HA 0.115 nan 4.420 nan 0.000 0.269 461 P C 0.616 177.908 177.300 -0.014 0.000 1.209 461 P CA -0.059 63.039 63.100 -0.003 0.000 0.776 461 P CB 0.888 32.575 31.700 -0.021 0.000 0.876 462 A N 2.684 125.473 122.820 -0.052 0.000 2.024 462 A HA -0.171 4.149 4.320 -0.000 0.000 0.220 462 A C 1.969 179.510 177.584 -0.071 0.000 1.164 462 A CA 2.259 54.247 52.037 -0.081 0.000 0.643 462 A CB -1.763 17.165 19.000 -0.120 0.000 0.806 462 A HN 0.674 nan 8.150 nan 0.000 0.451 463 T N -2.541 111.978 114.554 -0.058 0.000 2.867 463 T HA 0.126 4.475 4.350 -0.000 0.000 0.268 463 T C 1.768 176.450 174.700 -0.029 0.000 1.057 463 T CA 1.505 63.572 62.100 -0.055 0.000 1.136 463 T CB -0.306 68.525 68.868 -0.061 0.000 0.874 463 T HN 0.520 nan 8.240 nan 0.000 0.466 464 A N 0.847 123.667 122.820 0.001 0.000 1.956 464 A HA 0.549 4.869 4.320 -0.000 0.000 0.212 464 A C 1.359 179.061 177.584 0.197 0.000 1.188 464 A CA 0.142 52.229 52.037 0.082 0.000 0.675 464 A CB 0.028 19.066 19.000 0.064 0.000 0.845 464 A HN 0.523 nan 8.150 nan 0.000 0.455 465 M N 0.439 120.098 119.600 0.097 0.000 2.007 465 M HA 0.256 4.736 4.480 -0.000 0.000 0.285 465 M C -2.380 173.914 176.300 -0.011 0.000 0.893 465 M CA -1.599 53.736 55.300 0.059 0.000 0.925 465 M CB 2.457 35.085 32.600 0.047 0.000 1.568 465 M HN -0.005 nan 8.290 nan 0.000 0.414 466 P HA 0.041 nan 4.420 nan 0.000 0.233 466 P C -0.347 176.613 177.300 -0.565 0.000 1.167 466 P CA 0.919 63.839 63.100 -0.299 0.000 0.770 466 P CB 0.067 31.552 31.700 -0.359 0.000 0.837 467 F N 0.203 120.124 119.950 -0.048 0.000 2.480 467 F HA 0.526 5.053 4.527 -0.000 0.000 0.329 467 F C 1.133 176.909 175.800 -0.041 0.000 1.091 467 F CA -0.686 57.286 58.000 -0.047 0.000 0.972 467 F CB 1.785 40.757 39.000 -0.047 0.000 1.150 467 F HN -0.428 nan 8.300 nan 0.000 0.467 468 R N 0.587 121.149 120.500 0.104 0.000 2.808 468 R HA 0.834 5.174 4.340 -0.000 0.000 0.272 468 R C -0.706 175.679 176.300 0.141 0.000 0.995 468 R CA -1.247 54.904 56.100 0.086 0.000 0.917 468 R CB 2.562 32.787 30.300 -0.125 0.000 1.217 468 R HN 0.887 nan 8.270 nan 0.000 0.471 469 G N 0.514 109.442 108.800 0.213 0.000 2.682 469 G HA2 0.601 4.561 3.960 -0.000 0.000 0.290 469 G HA3 0.601 4.561 3.960 -0.000 0.000 0.290 469 G C -2.051 173.005 174.900 0.260 0.000 1.425 469 G CA -0.553 44.641 45.100 0.156 0.000 0.807 469 G HN 0.555 nan 8.290 nan 0.000 0.482 470 Y N -2.187 118.151 120.300 0.063 0.000 2.638 470 Y HA 0.865 5.415 4.550 -0.000 0.000 0.335 470 Y C -0.650 175.254 175.900 0.008 0.000 1.155 470 Y CA -1.314 56.801 58.100 0.024 0.000 1.046 470 Y CB 1.369 39.840 38.460 0.019 0.000 1.303 470 Y HN 1.379 nan 8.280 nan 0.000 0.460 471 A N 1.315 124.227 122.820 0.154 0.000 2.574 471 A HA 0.703 5.023 4.320 -0.000 0.000 0.297 471 A C -2.146 175.555 177.584 0.196 0.000 1.062 471 A CA -0.800 51.268 52.037 0.052 0.000 0.686 471 A CB 1.596 20.590 19.000 -0.011 0.000 1.285 471 A HN 0.854 nan 8.150 nan 0.000 0.403 472 V N 2.914 122.937 119.914 0.181 0.000 2.370 472 V HA 0.408 4.528 4.120 -0.000 0.000 0.279 472 V C -0.251 175.894 176.094 0.085 0.000 1.029 472 V CA -0.100 62.287 62.300 0.145 0.000 0.870 472 V CB 0.816 32.735 31.823 0.161 0.000 0.984 472 V HN 0.687 nan 8.190 nan 0.000 0.451 473 L N 4.015 125.273 121.223 0.058 0.000 2.325 473 L HA 0.754 5.094 4.340 -0.000 0.000 0.278 473 L C 1.174 178.061 176.870 0.027 0.000 1.023 473 L CA -0.172 54.690 54.840 0.036 0.000 0.811 473 L CB 1.524 43.598 42.059 0.025 0.000 1.249 473 L HN 0.837 nan 8.230 nan 0.000 0.431 474 G N 1.661 110.478 108.800 0.028 0.000 2.136 474 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.242 474 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.242 474 G C 0.298 175.224 174.900 0.044 0.000 0.989 474 G CA -0.056 45.059 45.100 0.025 0.000 0.682 474 G HN 1.028 nan 8.290 nan 0.000 0.522 475 G N -0.876 107.959 108.800 0.058 0.000 2.552 475 G HA2 0.622 4.582 3.960 -0.000 0.000 0.318 475 G HA3 0.622 4.582 3.960 -0.000 0.000 0.318 475 G C 0.669 175.610 174.900 0.069 0.000 1.240 475 G CA 0.683 45.830 45.100 0.079 0.000 1.002 475 G HN 0.590 nan 8.290 nan 0.000 0.493 476 E N -0.922 119.327 120.200 0.082 0.000 2.038 476 E HA -0.066 4.284 4.350 -0.000 0.000 0.195 476 E C 1.373 178.007 176.600 0.057 0.000 1.000 476 E CA 1.371 57.810 56.400 0.064 0.000 0.803 476 E CB 0.122 29.864 29.700 0.069 0.000 0.750 476 E HN 0.326 nan 8.360 nan 0.000 0.448 477 R N -2.107 118.436 120.500 0.072 0.000 3.875 477 R HA 0.470 4.810 4.340 -0.000 0.000 0.255 477 R C -1.360 174.980 176.300 0.068 0.000 0.953 477 R CA 0.394 56.529 56.100 0.058 0.000 0.771 477 R CB 0.374 30.699 30.300 0.042 0.000 1.781 477 R HN 0.567 nan 8.270 nan 0.000 0.393 478 G N -0.613 108.216 108.800 0.049 0.000 2.721 478 G HA2 0.355 4.315 3.960 -0.000 0.000 0.686 478 G HA3 0.355 4.315 3.960 -0.000 0.000 0.686 478 G C -0.156 174.749 174.900 0.009 0.000 1.236 478 G CA -0.039 45.084 45.100 0.039 0.000 0.786 478 G HN 0.882 nan 8.290 nan 0.000 0.616 479 G N 1.001 109.785 108.800 -0.027 0.000 3.119 479 G HA2 0.920 4.879 3.960 -0.000 0.000 0.206 479 G HA3 0.920 4.879 3.960 -0.000 0.000 0.206 479 G C -2.362 172.464 174.900 -0.122 0.000 1.313 479 G CA -0.356 44.714 45.100 -0.051 0.000 1.010 479 G HN 0.852 nan 8.290 nan 0.000 0.578 480 P HA 0.285 nan 4.420 nan 0.000 0.271 480 P C -1.067 176.077 177.300 -0.260 0.000 1.218 480 P CA 0.077 63.060 63.100 -0.195 0.000 0.780 480 P CB 1.313 32.947 31.700 -0.111 0.000 0.901 481 E N 1.325 121.272 120.200 -0.422 0.000 2.199 481 E HA 0.454 4.804 4.350 -0.000 0.000 0.265 481 E C -0.824 175.666 176.600 -0.184 0.000 0.882 481 E CA -0.838 55.353 56.400 -0.348 0.000 0.759 481 E CB 2.388 31.723 29.700 -0.608 0.000 1.148 481 E HN 0.150 nan 8.360 nan 0.000 0.412 482 V N 2.875 122.750 119.914 -0.064 0.000 2.789 482 V HA 0.490 4.609 4.120 -0.000 0.000 0.311 482 V C -0.378 175.753 176.094 0.062 0.000 1.073 482 V CA -0.749 61.561 62.300 0.017 0.000 0.921 482 V CB 2.074 33.905 31.823 0.012 0.000 1.009 482 V HN 0.727 nan 8.190 nan 0.000 0.426 483 Q N 2.328 122.196 119.800 0.112 0.000 2.527 483 Q HA 0.544 4.884 4.340 -0.000 0.000 0.280 483 Q C -1.219 174.834 176.000 0.087 0.000 0.977 483 Q CA -0.914 54.952 55.803 0.106 0.000 0.837 483 Q CB 2.036 30.800 28.738 0.043 0.000 1.454 483 Q HN 0.663 nan 8.270 nan 0.000 0.387 484 Q N 1.256 121.056 119.800 0.002 0.000 2.332 484 Q HA 0.427 4.767 4.340 -0.000 0.000 0.263 484 Q C -1.290 174.550 176.000 -0.268 0.000 0.979 484 Q CA -0.399 55.174 55.803 -0.385 0.000 0.885 484 Q CB 1.256 29.759 28.738 -0.392 0.000 1.218 484 Q HN 0.520 nan 8.270 nan 0.000 0.405 485 V N 7.038 126.756 119.914 -0.327 0.000 2.370 485 V HA 0.352 4.472 4.120 -0.000 0.000 0.279 485 V C -2.116 173.855 176.094 -0.205 0.000 1.029 485 V CA -1.833 60.337 62.300 -0.216 0.000 0.870 485 V CB 1.008 32.711 31.823 -0.201 0.000 0.984 485 V HN 0.870 nan 8.190 nan 0.000 0.451 486 P HA 0.296 nan 4.420 nan 0.000 0.271 486 P C -0.156 177.052 177.300 -0.153 0.000 1.226 486 P CA 0.078 63.084 63.100 -0.156 0.000 0.765 486 P CB 0.656 32.268 31.700 -0.146 0.000 0.835 487 A N 3.196 125.930 122.820 -0.144 0.000 2.366 487 A HA 0.648 4.967 4.320 -0.000 0.000 0.249 487 A C 0.761 178.268 177.584 -0.129 0.000 1.084 487 A CA 0.688 52.651 52.037 -0.123 0.000 0.794 487 A CB -0.530 18.408 19.000 -0.104 0.000 1.034 487 A HN 0.836 nan 8.150 nan 0.000 0.491 488 G N -0.081 108.657 108.800 -0.104 0.000 2.406 488 G HA2 0.111 4.071 3.960 -0.000 0.000 0.680 488 G HA3 0.111 4.071 3.960 -0.000 0.000 0.680 488 G C -0.777 174.077 174.900 -0.077 0.000 1.338 488 G CA -0.619 44.421 45.100 -0.100 0.000 0.941 488 G HN 0.847 nan 8.290 nan 0.000 0.633 489 E N 0.495 120.667 120.200 -0.047 0.000 2.324 489 E HA 0.260 4.610 4.350 -0.000 0.000 0.271 489 E C 0.208 176.814 176.600 0.010 0.000 1.028 489 E CA 0.147 56.538 56.400 -0.015 0.000 0.890 489 E CB 0.519 30.220 29.700 0.002 0.000 1.004 489 E HN 0.381 nan 8.360 nan 0.000 0.431 490 R N 4.793 125.306 120.500 0.021 0.000 2.412 490 R HA 0.302 4.642 4.340 -0.000 0.000 0.304 490 R C -2.368 173.983 176.300 0.083 0.000 1.066 490 R CA -1.858 54.277 56.100 0.059 0.000 0.923 490 R CB 1.488 31.809 30.300 0.035 0.000 1.156 490 R HN 0.315 nan 8.270 nan 0.000 0.513 491 P HA 0.006 nan 4.420 nan 0.000 0.268 491 P C -0.610 176.834 177.300 0.240 0.000 1.204 491 P CA -0.498 62.706 63.100 0.173 0.000 0.768 491 P CB 0.833 32.713 31.700 0.299 0.000 0.842 492 L N 4.831 126.121 121.223 0.112 0.000 2.264 492 L HA 0.486 4.826 4.340 -0.000 0.000 0.289 492 L C -1.280 175.594 176.870 0.007 0.000 1.044 492 L CA -0.223 54.686 54.840 0.115 0.000 0.807 492 L CB 0.138 42.214 42.059 0.028 0.000 1.192 492 L HN 0.274 nan 8.230 nan 0.000 0.425 493 W N 4.897 126.226 121.300 0.049 0.000 2.632 493 W HA 0.538 5.197 4.660 -0.000 0.000 0.328 493 W C -0.938 175.761 176.519 0.300 0.000 1.044 493 W CA -0.334 57.047 57.345 0.060 0.000 1.225 493 W CB 1.506 30.996 29.460 0.050 0.000 1.396 493 W HN 0.180 nan 8.180 nan 0.000 0.499 494 F N 4.836 124.858 119.950 0.121 0.000 2.427 494 F HA 0.471 4.998 4.527 -0.000 0.000 0.346 494 F C 0.033 175.926 175.800 0.156 0.000 1.120 494 F CA -2.063 55.994 58.000 0.096 0.000 1.033 494 F CB 0.886 39.886 39.000 -0.000 0.000 1.126 494 F HN -0.074 nan 8.300 nan 0.000 0.462 495 I N 3.514 124.287 120.570 0.339 0.000 2.355 495 I HA 0.204 4.373 4.170 -0.000 0.000 0.288 495 I C -0.571 175.677 176.117 0.218 0.000 0.999 495 I CA -0.510 60.976 61.300 0.311 0.000 1.163 495 I CB 1.036 39.234 38.000 0.329 0.000 1.316 495 I HN 0.414 nan 8.210 nan 0.000 0.454 496 C N 5.242 124.663 119.300 0.202 0.000 2.200 496 C HA 0.403 4.863 4.460 -0.000 0.000 0.328 496 C C 1.239 176.303 174.990 0.123 0.000 1.148 496 C CA -0.481 58.611 59.018 0.124 0.000 1.624 496 C CB -0.664 27.122 27.740 0.077 0.000 2.167 496 C HN 0.784 nan 8.230 nan 0.000 0.484 497 S N 1.774 117.514 115.700 0.066 0.000 2.596 497 S HA 0.540 5.010 4.470 -0.000 0.000 0.260 497 S C 0.934 175.544 174.600 0.017 0.000 1.336 497 S CA -0.019 58.177 58.200 -0.006 0.000 0.993 497 S CB 0.887 64.056 63.200 -0.053 0.000 0.923 497 S HN 0.949 nan 8.310 nan 0.000 0.567 498 G N 0.274 109.065 108.800 -0.015 0.000 3.310 498 G HA2 0.453 4.413 3.960 -0.000 0.000 0.176 498 G HA3 0.453 4.413 3.960 -0.000 0.000 0.176 498 G C -0.246 174.689 174.900 0.059 0.000 1.307 498 G CA -0.620 44.515 45.100 0.059 0.000 0.935 498 G HN 0.465 nan 8.290 nan 0.000 0.628 499 M N 0.422 120.096 119.600 0.124 0.000 2.207 499 M HA 0.350 4.830 4.480 -0.000 0.000 0.311 499 M C 1.528 177.910 176.300 0.136 0.000 1.127 499 M CA 1.044 56.451 55.300 0.178 0.000 1.181 499 M CB -0.007 32.773 32.600 0.299 0.000 1.409 499 M HN 1.370 nan 8.290 nan 0.000 0.461 500 G N 0.386 109.284 108.800 0.165 0.000 2.159 500 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.256 500 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.256 500 G C 0.577 175.580 174.900 0.171 0.000 0.977 500 G CA 0.905 46.098 45.100 0.156 0.000 0.652 500 G HN 0.901 nan 8.290 nan 0.000 0.531 501 T N -1.640 113.010 114.554 0.160 0.000 3.040 501 T HA 0.351 4.701 4.350 -0.000 0.000 0.250 501 T C 1.082 175.938 174.700 0.261 0.000 1.058 501 T CA 0.894 63.133 62.100 0.230 0.000 0.988 501 T CB 0.238 69.201 68.868 0.159 0.000 0.993 501 T HN 0.821 nan 8.240 nan 0.000 0.519 502 Q N 1.913 121.784 119.800 0.118 0.000 2.340 502 Q HA 0.289 4.629 4.340 -0.000 0.000 0.249 502 Q C -0.606 175.490 176.000 0.160 0.000 0.957 502 Q CA -0.686 55.075 55.803 -0.070 0.000 0.882 502 Q CB 0.777 29.315 28.738 -0.334 0.000 1.235 502 Q HN 0.753 nan 8.270 nan 0.000 0.439 503 W N 1.046 122.300 121.300 -0.076 0.000 3.213 503 W HA 0.468 5.128 4.660 -0.000 0.000 0.318 503 W C -1.020 175.638 176.519 0.232 0.000 1.248 503 W CA -1.093 56.298 57.345 0.078 0.000 1.187 503 W CB 0.746 30.200 29.460 -0.010 0.000 1.403 503 W HN 0.777 nan 8.180 nan 0.000 0.556 504 R N 1.507 122.262 120.500 0.425 0.000 2.458 504 R HA 0.367 4.707 4.340 -0.000 0.000 0.303 504 R C 1.185 177.570 176.300 0.142 0.000 1.013 504 R CA 1.937 58.201 56.100 0.274 0.000 1.026 504 R CB -0.172 30.244 30.300 0.194 0.000 0.948 504 R HN 1.155 nan 8.270 nan 0.000 0.417 505 G N 4.037 112.823 108.800 -0.023 0.000 2.175 505 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.244 505 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.244 505 G C 0.263 174.830 174.900 -0.554 0.000 0.982 505 G CA 0.242 45.262 45.100 -0.133 0.000 0.641 505 G HN 0.718 nan 8.290 nan 0.000 0.527 506 M N -0.683 118.247 119.600 -1.117 0.000 2.251 506 M HA 0.463 4.943 4.480 -0.000 0.000 0.343 506 M C 1.525 177.497 176.300 -0.546 0.000 1.245 506 M CA 1.428 55.815 55.300 -1.521 0.000 1.061 506 M CB 0.814 32.406 32.600 -1.680 0.000 1.723 506 M HN 1.668 nan 8.290 nan 0.000 0.449 507 G N 2.636 111.252 108.800 -0.308 0.000 2.234 507 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.260 507 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.260 507 G C 0.556 175.424 174.900 -0.052 0.000 0.987 507 G CA 0.503 45.542 45.100 -0.101 0.000 0.625 507 G HN 0.754 nan 8.290 nan 0.000 0.532 508 L N 0.787 121.975 121.223 -0.058 0.000 2.083 508 L HA -0.065 4.275 4.340 -0.000 0.000 0.209 508 L C 2.951 179.822 176.870 0.001 0.000 1.083 508 L CA 2.015 56.853 54.840 -0.003 0.000 0.752 508 L CB -0.527 41.534 42.059 0.004 0.000 0.899 508 L HN 0.440 nan 8.230 nan 0.000 0.433 509 S N 0.024 115.725 115.700 0.000 0.000 2.383 509 S HA -0.098 4.372 4.470 -0.000 0.000 0.227 509 S C 1.914 176.462 174.600 -0.086 0.000 1.026 509 S CA 0.931 59.134 58.200 0.005 0.000 0.981 509 S CB -0.096 63.141 63.200 0.062 0.000 0.818 509 S HN 0.336 nan 8.310 nan 0.000 0.472 510 L N 1.007 122.072 121.223 -0.264 0.000 2.291 510 L HA 0.058 4.397 4.340 -0.000 0.000 0.214 510 L C 2.330 179.046 176.870 -0.258 0.000 1.120 510 L CA 0.387 54.906 54.840 -0.535 0.000 0.799 510 L CB -0.373 40.852 42.059 -1.390 0.000 0.925 510 L HN 0.341 nan 8.230 nan 0.000 0.446 511 M N -0.342 119.254 119.600 -0.007 0.000 2.435 511 M HA -0.182 4.297 4.480 -0.000 0.000 0.262 511 M C 2.013 178.362 176.300 0.082 0.000 1.065 511 M CA 1.515 56.913 55.300 0.163 0.000 1.076 511 M CB -0.986 31.686 32.600 0.120 0.000 1.403 511 M HN 0.187 nan 8.290 nan 0.000 0.454 512 R N -0.650 119.871 120.500 0.036 0.000 2.276 512 R HA 0.042 4.382 4.340 -0.000 0.000 0.203 512 R C 0.007 176.340 176.300 0.054 0.000 1.017 512 R CA 0.197 56.330 56.100 0.054 0.000 1.010 512 R CB -0.018 30.321 30.300 0.066 0.000 0.900 512 R HN 0.092 nan 8.270 nan 0.000 0.469 513 L N 1.370 122.596 121.223 0.004 0.000 2.276 513 L HA 0.071 4.411 4.340 -0.000 0.000 0.286 513 L C 0.520 177.388 176.870 -0.003 0.000 1.061 513 L CA 0.260 55.069 54.840 -0.053 0.000 0.807 513 L CB 1.310 43.263 42.059 -0.176 0.000 1.177 513 L HN -0.018 nan 8.230 nan 0.000 0.429 514 D N 2.012 122.402 120.400 -0.016 0.000 2.123 514 D HA -0.203 4.436 4.640 -0.000 0.000 0.196 514 D C 1.988 178.278 176.300 -0.018 0.000 0.992 514 D CA 1.217 55.213 54.000 -0.006 0.000 0.833 514 D CB 0.238 41.031 40.800 -0.012 0.000 0.954 514 D HN 0.450 nan 8.370 nan 0.000 0.455 515 R N -0.642 119.833 120.500 -0.042 0.000 2.081 515 R HA -0.119 4.221 4.340 -0.000 0.000 0.235 515 R C 2.191 178.483 176.300 -0.013 0.000 1.131 515 R CA 0.949 57.026 56.100 -0.038 0.000 0.960 515 R CB -0.475 29.788 30.300 -0.062 0.000 0.856 515 R HN 0.151 nan 8.270 nan 0.000 0.436 516 F N 0.835 120.693 119.950 -0.153 0.000 2.163 516 F HA -0.032 4.495 4.527 -0.000 0.000 0.297 516 F C 2.474 178.205 175.800 -0.114 0.000 1.094 516 F CA 1.416 59.322 58.000 -0.157 0.000 1.290 516 F CB -0.189 38.686 39.000 -0.209 0.000 1.017 516 F HN -0.087 nan 8.300 nan 0.000 0.483 517 R N 0.454 121.001 120.500 0.078 0.000 2.083 517 R HA -0.187 4.152 4.340 -0.000 0.000 0.237 517 R C 1.784 178.029 176.300 -0.092 0.000 1.137 517 R CA 2.217 58.317 56.100 0.001 0.000 0.951 517 R CB -0.677 29.645 30.300 0.037 0.000 0.851 517 R HN 0.243 nan 8.270 nan 0.000 0.434 518 D N -0.263 120.091 120.400 -0.077 0.000 2.144 518 D HA -0.137 4.503 4.640 -0.000 0.000 0.199 518 D C 1.828 178.051 176.300 -0.129 0.000 0.984 518 D CA 1.366 55.316 54.000 -0.083 0.000 0.834 518 D CB -0.284 40.483 40.800 -0.056 0.000 0.955 518 D HN 0.192 nan 8.370 nan 0.000 0.465 519 S N -0.085 115.499 115.700 -0.193 0.000 2.355 519 S HA -0.101 4.369 4.470 -0.000 0.000 0.222 519 S C 1.990 176.414 174.600 -0.294 0.000 1.031 519 S CA 0.509 58.560 58.200 -0.248 0.000 0.993 519 S CB -0.093 62.907 63.200 -0.333 0.000 0.859 519 S HN 0.059 nan 8.310 nan 0.000 0.453 520 I N 1.939 122.282 120.570 -0.379 0.000 2.226 520 I HA -0.138 4.031 4.170 -0.000 0.000 0.245 520 I C 2.301 178.312 176.117 -0.178 0.000 1.100 520 I CA 1.212 62.325 61.300 -0.311 0.000 1.374 520 I CB -1.477 36.336 38.000 -0.312 0.000 1.057 520 I HN 0.372 nan 8.210 nan 0.000 0.413 521 L N -0.147 120.993 121.223 -0.138 0.000 2.083 521 L HA -0.195 4.144 4.340 -0.000 0.000 0.209 521 L C 2.769 179.587 176.870 -0.088 0.000 1.083 521 L CA 1.131 55.916 54.840 -0.092 0.000 0.752 521 L CB -0.585 41.433 42.059 -0.069 0.000 0.899 521 L HN 0.187 nan 8.230 nan 0.000 0.433 522 R N -0.297 120.142 120.500 -0.101 0.000 2.075 522 R HA -0.121 4.219 4.340 -0.000 0.000 0.232 522 R C 2.530 178.777 176.300 -0.089 0.000 1.126 522 R CA 1.592 57.641 56.100 -0.085 0.000 0.963 522 R CB -0.047 30.200 30.300 -0.088 0.000 0.858 522 R HN 0.210 nan 8.270 nan 0.000 0.435 523 S N 0.775 116.403 115.700 -0.121 0.000 2.382 523 S HA -0.135 4.335 4.470 -0.000 0.000 0.228 523 S C 1.208 175.763 174.600 -0.075 0.000 1.027 523 S CA 1.400 59.535 58.200 -0.109 0.000 0.991 523 S CB -0.284 62.828 63.200 -0.146 0.000 0.823 523 S HN 0.356 nan 8.310 nan 0.000 0.469 524 D N 1.229 121.583 120.400 -0.077 0.000 2.116 524 D HA -0.104 4.536 4.640 -0.000 0.000 0.193 524 D C 2.073 178.341 176.300 -0.053 0.000 0.998 524 D CA 0.957 54.922 54.000 -0.060 0.000 0.836 524 D CB -0.276 40.487 40.800 -0.061 0.000 0.951 524 D HN 0.252 nan 8.370 nan 0.000 0.449 525 E N 0.448 120.616 120.200 -0.054 0.000 2.110 525 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 525 E C 2.066 178.639 176.600 -0.044 0.000 0.988 525 E CA 0.841 57.210 56.400 -0.051 0.000 0.804 525 E CB -0.360 29.314 29.700 -0.045 0.000 0.745 525 E HN 0.248 nan 8.360 nan 0.000 0.458 526 A N 0.905 123.707 122.820 -0.030 0.000 1.933 526 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 526 A C 2.335 179.931 177.584 0.021 0.000 1.175 526 A CA 1.951 53.989 52.037 0.002 0.000 0.628 526 A CB -0.414 18.591 19.000 0.009 0.000 0.814 526 A HN 0.207 nan 8.150 nan 0.000 0.444 527 V N -2.874 117.038 119.914 -0.004 0.000 3.647 527 V HA 0.174 4.294 4.120 -0.000 0.000 0.279 527 V C 1.790 177.857 176.094 -0.046 0.000 1.314 527 V CA 1.151 63.462 62.300 0.018 0.000 1.125 527 V CB -0.543 31.267 31.823 -0.022 0.000 0.907 527 V HN 0.493 nan 8.190 nan 0.000 0.434 528 K N 1.812 122.159 120.400 -0.090 0.000 2.074 528 K HA -0.105 4.214 4.320 -0.000 0.000 0.209 528 K C -0.317 176.159 176.600 -0.207 0.000 1.048 528 K CA 2.238 58.456 56.287 -0.116 0.000 0.926 528 K CB -1.111 31.330 32.500 -0.099 0.000 0.713 528 K HN 0.478 nan 8.250 nan 0.000 0.444 529 P HA -0.102 nan 4.420 nan 0.000 0.225 529 P C 0.054 176.919 177.300 -0.724 0.000 1.148 529 P CA 1.017 63.764 63.100 -0.589 0.000 0.779 529 P CB 0.089 31.274 31.700 -0.858 0.000 0.780 530 F N -1.668 118.148 119.950 -0.223 0.000 2.639 530 F HA 0.437 4.963 4.527 -0.000 0.000 0.300 530 F C 1.642 177.367 175.800 -0.126 0.000 1.109 530 F CA 0.008 57.855 58.000 -0.256 0.000 1.335 530 F CB -0.727 37.858 39.000 -0.692 0.000 1.014 530 F HN -0.073 nan 8.300 nan 0.000 0.537 531 G N 0.724 109.516 108.800 -0.013 0.000 2.160 531 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.251 531 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.251 531 G C -0.365 174.555 174.900 0.033 0.000 1.008 531 G CA -0.145 44.963 45.100 0.013 0.000 0.724 531 G HN 0.179 nan 8.290 nan 0.000 0.514 532 L N -0.495 120.742 121.223 0.024 0.000 2.333 532 L HA 0.827 5.166 4.340 -0.000 0.000 0.269 532 L C 0.150 177.011 176.870 -0.015 0.000 1.010 532 L CA -1.121 53.735 54.840 0.027 0.000 0.818 532 L CB 2.066 44.167 42.059 0.071 0.000 1.306 532 L HN 0.139 nan 8.230 nan 0.000 0.430 533 K N 1.322 121.702 120.400 -0.033 0.000 2.668 533 K HA 0.322 4.642 4.320 -0.000 0.000 0.246 533 K C 0.242 176.814 176.600 -0.048 0.000 0.976 533 K CA -0.329 55.933 56.287 -0.043 0.000 0.902 533 K CB 1.741 34.212 32.500 -0.048 0.000 1.172 533 K HN 0.363 nan 8.250 nan 0.000 0.452 534 V N 1.862 121.753 119.914 -0.037 0.000 2.282 534 V HA -0.305 3.815 4.120 -0.000 0.000 0.249 534 V C 2.159 178.234 176.094 -0.031 0.000 1.057 534 V CA 2.561 64.845 62.300 -0.028 0.000 1.032 534 V CB -0.528 31.270 31.823 -0.042 0.000 0.645 534 V HN 0.904 nan 8.190 nan 0.000 0.447 535 S N -0.509 115.166 115.700 -0.043 0.000 2.400 535 S HA -0.313 4.157 4.470 -0.000 0.000 0.232 535 S C 1.896 176.475 174.600 -0.036 0.000 1.025 535 S CA 1.645 59.825 58.200 -0.033 0.000 0.993 535 S CB -0.439 62.740 63.200 -0.036 0.000 0.808 535 S HN 0.512 nan 8.310 nan 0.000 0.478 536 Q N 1.141 120.910 119.800 -0.052 0.000 2.187 536 Q HA 0.278 4.617 4.340 -0.000 0.000 0.199 536 Q C 2.027 177.964 176.000 -0.105 0.000 0.957 536 Q CA 1.105 56.866 55.803 -0.070 0.000 0.857 536 Q CB -0.610 28.082 28.738 -0.075 0.000 0.929 536 Q HN 0.658 nan 8.270 nan 0.000 0.453 537 L N -0.527 120.627 121.223 -0.115 0.000 2.093 537 L HA -0.136 4.203 4.340 -0.000 0.000 0.208 537 L C 2.024 178.851 176.870 -0.071 0.000 1.085 537 L CA 0.797 55.530 54.840 -0.179 0.000 0.755 537 L CB -0.446 41.550 42.059 -0.105 0.000 0.904 537 L HN 0.234 nan 8.230 nan 0.000 0.435 538 L N -0.618 120.622 121.223 0.029 0.000 2.141 538 L HA -0.195 4.145 4.340 -0.000 0.000 0.209 538 L C 2.353 179.215 176.870 -0.013 0.000 1.094 538 L CA 1.050 55.921 54.840 0.053 0.000 0.763 538 L CB -0.405 41.668 42.059 0.023 0.000 0.908 538 L HN 0.300 nan 8.230 nan 0.000 0.437 539 L N -0.726 120.475 121.223 -0.036 0.000 2.395 539 L HA -0.004 4.336 4.340 -0.000 0.000 0.218 539 L C 1.527 178.361 176.870 -0.060 0.000 1.130 539 L CA -0.163 54.654 54.840 -0.038 0.000 0.826 539 L CB -0.043 41.996 42.059 -0.034 0.000 0.941 539 L HN 0.129 nan 8.230 nan 0.000 0.451 540 S N -0.149 115.487 115.700 -0.107 0.000 2.558 540 S HA -0.059 4.411 4.470 -0.000 0.000 0.293 540 S C 1.341 175.882 174.600 -0.099 0.000 1.292 540 S CA 0.273 58.392 58.200 -0.136 0.000 1.063 540 S CB 0.567 63.618 63.200 -0.248 0.000 0.831 540 S HN 0.426 nan 8.310 nan 0.000 0.499 541 T N 0.926 115.439 114.554 -0.069 0.000 3.086 541 T HA 0.180 4.529 4.350 -0.000 0.000 0.250 541 T C 0.163 174.838 174.700 -0.042 0.000 1.074 541 T CA -0.398 61.680 62.100 -0.036 0.000 0.988 541 T CB -0.054 68.804 68.868 -0.017 0.000 0.988 541 T HN 0.538 nan 8.240 nan 0.000 0.530 542 D N 2.065 122.418 120.400 -0.078 0.000 2.317 542 D HA 0.129 4.769 4.640 -0.000 0.000 0.252 542 D C 1.039 177.293 176.300 -0.076 0.000 1.174 542 D CA -0.111 53.846 54.000 -0.071 0.000 0.866 542 D CB 1.599 42.349 40.800 -0.084 0.000 1.127 542 D HN 0.213 nan 8.370 nan 0.000 0.467 543 E N 1.929 122.114 120.200 -0.026 0.000 2.265 543 E HA -0.160 4.190 4.350 -0.000 0.000 0.196 543 E C 1.458 178.061 176.600 0.004 0.000 0.996 543 E CA 1.191 57.596 56.400 0.008 0.000 0.832 543 E CB 0.074 29.792 29.700 0.029 0.000 0.756 543 E HN 0.363 nan 8.360 nan 0.000 0.491 544 S N -2.065 113.622 115.700 -0.022 0.000 2.558 544 S HA 0.021 4.490 4.470 -0.000 0.000 0.217 544 S C 1.732 176.308 174.600 -0.039 0.000 0.975 544 S CA 0.504 58.698 58.200 -0.010 0.000 0.912 544 S CB -0.194 63.002 63.200 -0.006 0.000 0.776 544 S HN 0.152 nan 8.310 nan 0.000 0.526 545 T N 2.267 116.730 114.554 -0.151 0.000 2.653 545 T HA -0.088 4.262 4.350 -0.000 0.000 0.268 545 T C 0.621 175.212 174.700 -0.182 0.000 1.035 545 T CA 1.679 63.620 62.100 -0.265 0.000 1.154 545 T CB -0.551 67.939 68.868 -0.630 0.000 0.862 545 T HN 0.565 nan 8.240 nan 0.000 0.441 546 F N 1.197 121.203 119.950 0.093 0.000 2.731 546 F HA 0.220 4.747 4.527 -0.000 0.000 0.304 546 F C 1.596 177.430 175.800 0.057 0.000 1.133 546 F CA -0.713 57.338 58.000 0.084 0.000 1.380 546 F CB -0.362 38.676 39.000 0.064 0.000 1.079 546 F HN 0.070 nan 8.300 nan 0.000 0.550 547 D N -0.577 119.910 120.400 0.145 0.000 2.323 547 D HA -0.093 4.547 4.640 -0.000 0.000 0.209 547 D C 0.671 176.979 176.300 0.013 0.000 0.973 547 D CA 0.677 54.724 54.000 0.078 0.000 0.874 547 D CB -0.056 40.769 40.800 0.042 0.000 0.930 547 D HN 0.177 nan 8.370 nan 0.000 0.521 548 D N 1.103 121.490 120.400 -0.022 0.000 2.317 548 D HA 0.000 4.640 4.640 -0.000 0.000 0.252 548 D C 1.924 178.119 176.300 -0.175 0.000 1.174 548 D CA -0.305 53.592 54.000 -0.172 0.000 0.866 548 D CB 1.013 41.554 40.800 -0.431 0.000 1.127 548 D HN 0.112 nan 8.370 nan 0.000 0.467 549 I N 1.632 122.045 120.570 -0.262 0.000 2.361 549 I HA -0.217 3.953 4.170 -0.000 0.000 0.251 549 I C 1.521 177.266 176.117 -0.620 0.000 1.133 549 I CA 0.591 61.584 61.300 -0.511 0.000 1.413 549 I CB -0.181 37.454 38.000 -0.609 0.000 1.073 549 I HN 0.148 nan 8.210 nan 0.000 0.424 550 V N 1.760 121.445 119.914 -0.381 0.000 2.307 550 V HA -0.256 3.864 4.120 -0.000 0.000 0.245 550 V C 2.517 178.646 176.094 0.058 0.000 1.045 550 V CA 2.320 64.490 62.300 -0.217 0.000 1.024 550 V CB -1.182 30.500 31.823 -0.235 0.000 0.651 550 V HN 0.532 nan 8.190 nan 0.000 0.449 551 H N 0.382 119.459 119.070 0.012 0.000 2.319 551 H HA -0.157 4.399 4.556 -0.000 0.000 0.299 551 H C 2.562 178.049 175.328 0.265 0.000 1.092 551 H CA 1.593 57.728 56.048 0.146 0.000 1.302 551 H CB -0.039 29.795 29.762 0.120 0.000 1.373 551 H HN 0.582 nan 8.280 nan 0.000 0.497 552 S N 0.659 116.570 115.700 0.351 0.000 2.383 552 S HA -0.139 4.331 4.470 -0.000 0.000 0.227 552 S C 1.938 176.674 174.600 0.226 0.000 1.026 552 S CA 0.764 59.102 58.200 0.230 0.000 0.981 552 S CB -0.415 62.898 63.200 0.189 0.000 0.818 552 S HN 0.173 nan 8.310 nan 0.000 0.472 553 F N 2.041 122.016 119.950 0.043 0.000 2.084 553 F HA 0.077 4.604 4.527 -0.000 0.000 0.296 553 F C 2.734 178.529 175.800 -0.008 0.000 1.111 553 F CA -0.127 57.865 58.000 -0.013 0.000 1.224 553 F CB -1.334 37.637 39.000 -0.049 0.000 0.991 553 F HN 0.092 nan 8.300 nan 0.000 0.471 554 V N -0.779 119.282 119.914 0.244 0.000 2.343 554 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 554 V C 2.390 178.527 176.094 0.072 0.000 1.051 554 V CA 2.010 64.396 62.300 0.143 0.000 1.036 554 V CB -0.907 31.015 31.823 0.165 0.000 0.654 554 V HN 0.265 nan 8.190 nan 0.000 0.451 555 S N -0.131 115.617 115.700 0.081 0.000 2.383 555 S HA -0.128 4.342 4.470 -0.000 0.000 0.227 555 S C 1.831 176.380 174.600 -0.085 0.000 1.026 555 S CA 1.470 59.666 58.200 -0.008 0.000 0.981 555 S CB -0.322 62.876 63.200 -0.004 0.000 0.818 555 S HN 0.447 nan 8.310 nan 0.000 0.472 556 L N 1.944 123.125 121.223 -0.070 0.000 1.994 556 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 556 L C 2.238 179.080 176.870 -0.046 0.000 1.071 556 L CA 2.022 56.824 54.840 -0.063 0.000 0.745 556 L CB -1.517 40.537 42.059 -0.009 0.000 0.892 556 L HN 0.182 nan 8.230 nan 0.000 0.431 557 T N 0.120 114.652 114.554 -0.036 0.000 2.746 557 T HA -0.148 4.202 4.350 -0.000 0.000 0.267 557 T C 1.909 176.543 174.700 -0.110 0.000 1.039 557 T CA 1.379 63.441 62.100 -0.063 0.000 1.142 557 T CB -0.594 68.243 68.868 -0.051 0.000 0.866 557 T HN 0.541 nan 8.240 nan 0.000 0.444 558 A N 1.065 123.819 122.820 -0.109 0.000 1.902 558 A HA -0.025 4.294 4.320 -0.000 0.000 0.217 558 A C 2.292 179.753 177.584 -0.206 0.000 1.181 558 A CA 1.230 53.164 52.037 -0.172 0.000 0.623 558 A CB -0.754 18.161 19.000 -0.143 0.000 0.818 558 A HN 0.524 nan 8.150 nan 0.000 0.443 559 I N -0.773 119.726 120.570 -0.118 0.000 2.315 559 I HA -0.284 3.886 4.170 -0.000 0.000 0.248 559 I C 2.787 178.912 176.117 0.013 0.000 1.117 559 I CA 1.353 62.642 61.300 -0.017 0.000 1.404 559 I CB -0.367 37.669 38.000 0.060 0.000 1.071 559 I HN 0.454 nan 8.210 nan 0.000 0.419 560 Q N 0.525 120.308 119.800 -0.027 0.000 2.084 560 Q HA -0.178 4.162 4.340 -0.000 0.000 0.202 560 Q C 2.353 178.326 176.000 -0.045 0.000 0.978 560 Q CA 1.482 57.278 55.803 -0.012 0.000 0.844 560 Q CB -0.047 28.681 28.738 -0.017 0.000 0.898 560 Q HN 0.521 nan 8.270 nan 0.000 0.426 561 I N 0.266 120.743 120.570 -0.156 0.000 2.179 561 I HA -0.226 3.944 4.170 -0.000 0.000 0.242 561 I C 2.321 178.324 176.117 -0.189 0.000 1.088 561 I CA 1.216 62.341 61.300 -0.290 0.000 1.357 561 I CB -0.588 37.065 38.000 -0.578 0.000 1.051 561 I HN 0.301 nan 8.210 nan 0.000 0.409 562 G N 0.826 109.468 108.800 -0.263 0.000 2.418 562 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.217 562 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.217 562 G C 1.709 176.635 174.900 0.044 0.000 1.158 562 G CA 0.506 45.397 45.100 -0.349 0.000 0.771 562 G HN 0.267 nan 8.290 nan 0.000 0.545 563 L N -0.102 121.206 121.223 0.142 0.000 2.056 563 L HA 0.036 4.376 4.340 -0.000 0.000 0.207 563 L C 2.833 179.739 176.870 0.060 0.000 1.078 563 L CA 0.582 55.491 54.840 0.115 0.000 0.749 563 L CB -0.299 41.821 42.059 0.101 0.000 0.901 563 L HN 0.191 nan 8.230 nan 0.000 0.433 564 I N -0.182 120.420 120.570 0.054 0.000 2.286 564 I HA -0.294 3.875 4.170 -0.000 0.000 0.248 564 I C 2.052 178.252 176.117 0.138 0.000 1.115 564 I CA 1.139 62.495 61.300 0.094 0.000 1.392 564 I CB -0.324 37.811 38.000 0.225 0.000 1.065 564 I HN 0.257 nan 8.210 nan 0.000 0.418 565 D N 0.757 121.237 120.400 0.133 0.000 2.117 565 D HA -0.131 4.509 4.640 -0.000 0.000 0.197 565 D C 2.356 178.697 176.300 0.068 0.000 0.987 565 D CA 1.218 55.279 54.000 0.101 0.000 0.829 565 D CB -0.258 40.570 40.800 0.047 0.000 0.961 565 D HN 0.280 nan 8.370 nan 0.000 0.460 566 L N 0.176 121.436 121.223 0.062 0.000 2.046 566 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 566 L C 2.539 179.486 176.870 0.128 0.000 1.077 566 L CA 0.725 55.602 54.840 0.062 0.000 0.747 566 L CB -0.423 41.624 42.059 -0.019 0.000 0.896 566 L HN 0.056 nan 8.230 nan 0.000 0.432 567 L N -0.994 120.313 121.223 0.139 0.000 2.093 567 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 567 L C 2.686 179.633 176.870 0.128 0.000 1.085 567 L CA 1.008 55.926 54.840 0.130 0.000 0.755 567 L CB -0.489 41.603 42.059 0.055 0.000 0.904 567 L HN 0.178 nan 8.230 nan 0.000 0.435 568 S N -0.336 115.434 115.700 0.117 0.000 2.383 568 S HA -0.190 4.280 4.470 -0.000 0.000 0.227 568 S C 2.125 176.759 174.600 0.056 0.000 1.026 568 S CA 1.359 59.610 58.200 0.086 0.000 0.981 568 S CB -0.530 62.707 63.200 0.062 0.000 0.818 568 S HN 0.713 nan 8.310 nan 0.000 0.472 569 C N 1.003 120.334 119.300 0.052 0.000 2.437 569 C HA 0.190 4.650 4.460 -0.000 0.000 0.283 569 C C 1.972 176.983 174.990 0.035 0.000 1.424 569 C CA 0.097 59.134 59.018 0.032 0.000 1.782 569 C CB -1.443 26.307 27.740 0.017 0.000 1.833 569 C HN 0.466 nan 8.230 nan 0.000 0.532 570 M N 0.738 120.368 119.600 0.050 0.000 2.431 570 M HA 0.242 4.721 4.480 -0.000 0.000 0.237 570 M C 1.648 177.973 176.300 0.042 0.000 1.130 570 M CA 0.889 56.217 55.300 0.046 0.000 1.002 570 M CB 0.090 32.722 32.600 0.053 0.000 1.524 570 M HN 0.640 nan 8.290 nan 0.000 0.482 571 G N 1.486 110.310 108.800 0.040 0.000 2.143 571 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.249 571 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.249 571 G C -0.032 174.887 174.900 0.032 0.000 0.981 571 G CA -0.311 44.806 45.100 0.028 0.000 0.665 571 G HN 0.410 nan 8.290 nan 0.000 0.528 572 L N 0.125 121.388 121.223 0.067 0.000 2.367 572 L HA 0.576 4.916 4.340 -0.000 0.000 0.275 572 L C 0.927 177.831 176.870 0.058 0.000 1.129 572 L CA -0.222 54.671 54.840 0.089 0.000 0.839 572 L CB 0.849 43.017 42.059 0.182 0.000 1.133 572 L HN 0.143 nan 8.230 nan 0.000 0.453 573 R N 4.191 124.662 120.500 -0.049 0.000 2.476 573 R HA 0.414 4.754 4.340 -0.000 0.000 0.305 573 R C -2.446 173.646 176.300 -0.347 0.000 0.965 573 R CA -1.531 54.465 56.100 -0.173 0.000 0.867 573 R CB 1.730 31.947 30.300 -0.139 0.000 1.176 573 R HN 0.353 nan 8.270 nan 0.000 0.447 574 P HA 0.097 nan 4.420 nan 0.000 0.274 574 P C -0.615 176.324 177.300 -0.601 0.000 1.231 574 P CA -0.221 62.353 63.100 -0.877 0.000 0.790 574 P CB 1.104 31.883 31.700 -1.536 0.000 0.951 575 D N 0.004 120.043 120.400 -0.603 0.000 2.327 575 D HA 0.139 4.779 4.640 -0.000 0.000 0.205 575 D C 1.007 176.770 176.300 -0.896 0.000 0.989 575 D CA 0.861 54.537 54.000 -0.539 0.000 0.873 575 D CB 0.495 41.098 40.800 -0.328 0.000 0.955 575 D HN 0.565 nan 8.370 nan 0.000 0.515 576 G N 0.113 108.020 108.800 -1.488 0.000 2.690 576 G HA2 0.640 4.600 3.960 -0.000 0.000 0.293 576 G HA3 0.640 4.600 3.960 -0.000 0.000 0.293 576 G C -1.406 172.828 174.900 -1.110 0.000 1.399 576 G CA -0.529 43.318 45.100 -2.089 0.000 0.890 576 G HN -0.012 nan 8.290 nan 0.000 0.485 577 I N 0.349 120.592 120.570 -0.545 0.000 2.607 577 I HA 0.477 4.646 4.170 -0.000 0.000 0.290 577 I C -0.882 175.330 176.117 0.160 0.000 1.129 577 I CA -1.015 60.204 61.300 -0.135 0.000 1.042 577 I CB 2.641 40.462 38.000 -0.297 0.000 1.242 577 I HN 0.234 nan 8.210 nan 0.000 0.421 578 V N 4.075 124.146 119.914 0.261 0.000 2.623 578 V HA 0.769 4.889 4.120 -0.000 0.000 0.304 578 V C 0.147 176.441 176.094 0.334 0.000 1.054 578 V CA -0.506 61.999 62.300 0.342 0.000 0.882 578 V CB 1.829 33.858 31.823 0.344 0.000 1.002 578 V HN 0.882 nan 8.190 nan 0.000 0.424 579 G N 1.295 110.309 108.800 0.356 0.000 2.453 579 G HA2 0.570 4.530 3.960 -0.000 0.000 0.323 579 G HA3 0.570 4.530 3.960 -0.000 0.000 0.323 579 G C -1.349 173.775 174.900 0.372 0.000 1.198 579 G CA -0.399 44.887 45.100 0.310 0.000 0.959 579 G HN 0.702 nan 8.290 nan 0.000 0.482 580 H N 1.391 120.552 119.070 0.151 0.000 2.638 580 H HA 0.476 5.032 4.556 -0.000 0.000 0.317 580 H C 0.805 176.134 175.328 0.001 0.000 1.006 580 H CA 0.597 56.647 56.048 0.003 0.000 1.222 580 H CB 1.387 30.966 29.762 -0.304 0.000 1.419 580 H HN 0.838 nan 8.280 nan 0.000 0.489 581 S N 3.260 118.926 115.700 -0.056 0.000 4.114 581 S HA -0.350 4.120 4.470 -0.000 0.000 0.618 581 S C 1.570 176.220 174.600 0.082 0.000 1.937 581 S CA 1.494 59.724 58.200 0.051 0.000 4.228 581 S CB -1.140 62.187 63.200 0.212 0.000 0.216 581 S HN 0.591 nan 8.310 nan 0.000 0.528 582 L N 3.110 124.329 121.223 -0.007 0.000 2.263 582 L HA 0.148 4.488 4.340 -0.000 0.000 0.216 582 L C 2.455 179.301 176.870 -0.040 0.000 1.111 582 L CA 2.912 57.661 54.840 -0.152 0.000 0.773 582 L CB -1.410 40.414 42.059 -0.391 0.000 0.906 582 L HN 0.772 nan 8.230 nan 0.000 0.439 583 G N -1.277 107.544 108.800 0.036 0.000 2.501 583 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.220 583 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.220 583 G C 1.410 176.356 174.900 0.076 0.000 1.114 583 G CA 0.645 45.782 45.100 0.061 0.000 0.757 583 G HN 0.555 nan 8.290 nan 0.000 0.559 584 E N -0.141 120.142 120.200 0.139 0.000 2.268 584 E HA -0.054 4.296 4.350 -0.000 0.000 0.195 584 E C 2.583 179.288 176.600 0.175 0.000 0.995 584 E CA 0.437 56.989 56.400 0.253 0.000 0.836 584 E CB 0.048 30.021 29.700 0.454 0.000 0.763 584 E HN 0.392 nan 8.360 nan 0.000 0.491 585 V N 1.342 121.318 119.914 0.102 0.000 2.270 585 V HA -0.242 3.878 4.120 -0.000 0.000 0.245 585 V C 2.408 178.507 176.094 0.007 0.000 1.043 585 V CA 1.858 64.201 62.300 0.071 0.000 1.014 585 V CB -0.722 31.122 31.823 0.034 0.000 0.645 585 V HN 0.276 nan 8.190 nan 0.000 0.447 586 A N -1.005 121.807 122.820 -0.014 0.000 1.940 586 A HA -0.279 4.040 4.320 -0.000 0.000 0.219 586 A C 2.357 179.903 177.584 -0.063 0.000 1.176 586 A CA 2.229 54.264 52.037 -0.003 0.000 0.631 586 A CB -1.208 17.789 19.000 -0.005 0.000 0.814 586 A HN 0.596 nan 8.150 nan 0.000 0.446 587 C N -1.096 118.070 119.300 -0.222 0.000 2.401 587 C HA -0.071 4.389 4.460 -0.000 0.000 0.276 587 C C 2.984 177.411 174.990 -0.939 0.000 1.233 587 C CA 0.830 59.477 59.018 -0.619 0.000 1.753 587 C CB -1.622 25.570 27.740 -0.913 0.000 2.029 587 C HN 0.720 nan 8.230 nan 0.000 0.478 588 G N -1.664 106.704 108.800 -0.721 0.000 2.402 588 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.216 588 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.216 588 G C 1.401 176.216 174.900 -0.141 0.000 1.162 588 G CA 0.982 45.851 45.100 -0.385 0.000 0.777 588 G HN 0.600 nan 8.290 nan 0.000 0.539 589 Y N 1.952 122.148 120.300 -0.173 0.000 2.200 589 Y HA 0.101 4.651 4.550 -0.000 0.000 0.290 589 Y C 2.820 178.656 175.900 -0.107 0.000 1.137 589 Y CA 1.214 59.254 58.100 -0.101 0.000 1.163 589 Y CB -0.276 38.141 38.460 -0.072 0.000 0.988 589 Y HN 0.228 nan 8.280 nan 0.000 0.518 590 A N -0.657 122.075 122.820 -0.147 0.000 2.015 590 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 590 A C 1.761 179.191 177.584 -0.256 0.000 1.163 590 A CA 1.826 53.761 52.037 -0.169 0.000 0.646 590 A CB -0.711 18.290 19.000 0.002 0.000 0.806 590 A HN 0.557 nan 8.150 nan 0.000 0.448 591 D N -2.347 117.881 120.400 -0.287 0.000 2.305 591 D HA 0.234 4.874 4.640 -0.000 0.000 0.206 591 D C 1.301 177.515 176.300 -0.143 0.000 0.974 591 D CA 1.450 55.330 54.000 -0.199 0.000 0.871 591 D CB 0.097 40.834 40.800 -0.105 0.000 0.947 591 D HN 0.502 nan 8.370 nan 0.000 0.516 592 G N -1.234 107.460 108.800 -0.177 0.000 2.179 592 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.220 592 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.220 592 G C 1.365 176.227 174.900 -0.064 0.000 0.990 592 G CA 0.290 45.303 45.100 -0.144 0.000 0.646 592 G HN 0.371 nan 8.290 nan 0.000 0.517 593 C N 0.317 119.610 119.300 -0.011 0.000 2.467 593 C HA 0.551 5.011 4.460 -0.000 0.000 0.279 593 C C 1.232 176.251 174.990 0.049 0.000 1.347 593 C CA 0.353 59.394 59.018 0.039 0.000 1.748 593 C CB -0.955 26.854 27.740 0.115 0.000 1.977 593 C HN 0.455 nan 8.230 nan 0.000 0.501 594 L N 1.417 122.678 121.223 0.063 0.000 2.346 594 L HA 0.420 4.760 4.340 -0.000 0.000 0.276 594 L C 0.430 177.392 176.870 0.153 0.000 1.006 594 L CA 0.003 54.907 54.840 0.108 0.000 0.817 594 L CB 1.621 43.762 42.059 0.137 0.000 1.272 594 L HN 0.170 nan 8.230 nan 0.000 0.421 595 S N 0.697 116.481 115.700 0.140 0.000 2.634 595 S HA 0.080 4.550 4.470 -0.000 0.000 0.261 595 S C 0.772 175.513 174.600 0.235 0.000 1.271 595 S CA -0.256 58.049 58.200 0.176 0.000 0.985 595 S CB 1.274 64.536 63.200 0.104 0.000 0.968 595 S HN 0.783 nan 8.310 nan 0.000 0.568 596 Q N 0.631 120.561 119.800 0.217 0.000 2.050 596 Q HA -0.196 4.144 4.340 -0.000 0.000 0.202 596 Q C 1.802 177.784 176.000 -0.030 0.000 0.980 596 Q CA 1.905 57.689 55.803 -0.031 0.000 0.840 596 Q CB -0.276 28.416 28.738 -0.077 0.000 0.898 596 Q HN 0.848 nan 8.270 nan 0.000 0.424 597 E N 0.635 120.849 120.200 0.023 0.000 2.110 597 E HA -0.212 4.137 4.350 -0.000 0.000 0.193 597 E C 1.663 178.304 176.600 0.068 0.000 0.988 597 E CA 1.339 57.760 56.400 0.035 0.000 0.804 597 E CB -0.316 29.411 29.700 0.044 0.000 0.745 597 E HN 0.582 nan 8.360 nan 0.000 0.458 598 E N 1.096 121.346 120.200 0.084 0.000 2.072 598 E HA -0.067 4.283 4.350 -0.000 0.000 0.191 598 E C 2.100 178.760 176.600 0.101 0.000 0.985 598 E CA 1.161 57.624 56.400 0.105 0.000 0.801 598 E CB -0.118 29.645 29.700 0.104 0.000 0.750 598 E HN 0.339 nan 8.360 nan 0.000 0.452 599 A N 0.649 123.513 122.820 0.073 0.000 1.898 599 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 599 A C 2.448 180.047 177.584 0.026 0.000 1.181 599 A CA 1.052 53.117 52.037 0.048 0.000 0.620 599 A CB -0.562 18.442 19.000 0.006 0.000 0.819 599 A HN 0.122 nan 8.150 nan 0.000 0.442 600 V N 0.135 120.049 119.914 0.000 0.000 2.358 600 V HA -0.220 3.900 4.120 -0.000 0.000 0.246 600 V C 2.517 178.653 176.094 0.069 0.000 1.047 600 V CA 1.801 64.106 62.300 0.008 0.000 1.035 600 V CB -0.659 31.148 31.823 -0.027 0.000 0.658 600 V HN 0.556 nan 8.190 nan 0.000 0.452 601 L N -0.142 121.145 121.223 0.107 0.000 2.141 601 L HA -0.094 4.246 4.340 -0.000 0.000 0.209 601 L C 2.689 179.711 176.870 0.252 0.000 1.094 601 L CA 1.278 56.226 54.840 0.179 0.000 0.763 601 L CB -0.722 41.494 42.059 0.261 0.000 0.908 601 L HN 0.365 nan 8.230 nan 0.000 0.437 602 A N 0.176 123.112 122.820 0.195 0.000 1.902 602 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 602 A C 2.524 180.180 177.584 0.120 0.000 1.181 602 A CA 1.667 53.811 52.037 0.179 0.000 0.623 602 A CB -0.572 18.506 19.000 0.130 0.000 0.818 602 A HN 0.385 nan 8.150 nan 0.000 0.443 603 A N -1.564 121.301 122.820 0.074 0.000 1.930 603 A HA -0.047 4.273 4.320 -0.000 0.000 0.217 603 A C 2.120 179.760 177.584 0.094 0.000 1.175 603 A CA 1.582 53.640 52.037 0.035 0.000 0.627 603 A CB -0.781 18.236 19.000 0.029 0.000 0.815 603 A HN 0.711 nan 8.150 nan 0.000 0.443 604 Y N -0.967 119.293 120.300 -0.067 0.000 2.114 604 Y HA -0.260 4.289 4.550 -0.000 0.000 0.284 604 Y C 2.122 177.838 175.900 -0.308 0.000 1.143 604 Y CA 1.908 59.852 58.100 -0.259 0.000 1.135 604 Y CB -0.636 37.494 38.460 -0.550 0.000 0.980 604 Y HN 0.439 nan 8.280 nan 0.000 0.499 605 W N 0.604 121.810 121.300 -0.158 0.000 2.374 605 W HA -0.116 4.544 4.660 -0.000 0.000 0.288 605 W C 2.793 179.216 176.519 -0.160 0.000 1.218 605 W CA 1.408 58.623 57.345 -0.216 0.000 1.245 605 W CB -0.285 29.148 29.460 -0.045 0.000 1.126 605 W HN -0.038 nan 8.180 nan 0.000 0.545 606 R N 0.519 121.092 120.500 0.121 0.000 2.096 606 R HA -0.117 4.223 4.340 -0.000 0.000 0.235 606 R C 2.256 178.660 176.300 0.173 0.000 1.127 606 R CA 1.879 58.045 56.100 0.111 0.000 0.968 606 R CB -0.817 29.490 30.300 0.012 0.000 0.861 606 R HN 0.244 nan 8.270 nan 0.000 0.440 607 G N -0.257 108.636 108.800 0.156 0.000 2.411 607 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.213 607 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.213 607 G C 1.297 176.069 174.900 -0.214 0.000 1.166 607 G CA 0.389 45.477 45.100 -0.019 0.000 0.802 607 G HN 0.325 nan 8.290 nan 0.000 0.533 608 Q N 0.234 119.776 119.800 -0.431 0.000 2.084 608 Q HA -0.093 4.247 4.340 -0.000 0.000 0.202 608 Q C 2.450 178.372 176.000 -0.129 0.000 0.978 608 Q CA 1.873 57.409 55.803 -0.444 0.000 0.844 608 Q CB -0.938 27.225 28.738 -0.958 0.000 0.898 608 Q HN 0.390 nan 8.270 nan 0.000 0.426 609 C N -0.184 119.126 119.300 0.018 0.000 2.425 609 C HA -0.081 4.379 4.460 -0.000 0.000 0.277 609 C C 2.514 177.502 174.990 -0.003 0.000 1.280 609 C CA 0.615 59.670 59.018 0.061 0.000 1.744 609 C CB -1.123 26.676 27.740 0.099 0.000 1.989 609 C HN 0.574 nan 8.230 nan 0.000 0.491 610 I N 0.711 121.283 120.570 0.004 0.000 2.179 610 I HA -0.239 3.930 4.170 -0.000 0.000 0.242 610 I C 2.587 178.655 176.117 -0.080 0.000 1.088 610 I CA 1.618 62.922 61.300 0.007 0.000 1.357 610 I CB -0.477 37.587 38.000 0.106 0.000 1.051 610 I HN 0.359 nan 8.210 nan 0.000 0.409 611 K N 0.614 120.938 120.400 -0.126 0.000 2.057 611 K HA -0.207 4.113 4.320 -0.000 0.000 0.207 611 K C 2.013 178.425 176.600 -0.312 0.000 1.049 611 K CA 1.501 57.673 56.287 -0.191 0.000 0.931 611 K CB -0.115 32.276 32.500 -0.181 0.000 0.714 611 K HN 0.320 nan 8.250 nan 0.000 0.440 612 E N 0.200 120.266 120.200 -0.223 0.000 2.204 612 E HA -0.083 4.267 4.350 -0.000 0.000 0.195 612 E C 0.103 176.510 176.600 -0.322 0.000 0.990 612 E CA 0.311 56.576 56.400 -0.225 0.000 0.821 612 E CB 0.123 29.798 29.700 -0.042 0.000 0.750 612 E HN 0.246 nan 8.360 nan 0.000 0.477 613 A N 0.879 123.549 122.820 -0.250 0.000 2.310 613 A HA 0.209 4.529 4.320 -0.000 0.000 0.299 613 A C -0.631 176.780 177.584 -0.289 0.000 1.147 613 A CA -0.379 51.561 52.037 -0.162 0.000 0.818 613 A CB 0.375 19.335 19.000 -0.066 0.000 1.096 613 A HN 0.197 nan 8.150 nan 0.000 0.495 614 H N 3.518 122.588 119.070 -0.000 0.000 2.556 614 H HA 0.252 4.808 4.556 -0.000 0.000 0.240 614 H C -0.385 174.935 175.328 -0.013 0.000 1.543 614 H CA -0.060 55.982 56.048 -0.009 0.000 1.287 614 H CB 0.052 29.809 29.762 -0.008 0.000 1.529 614 H HN 0.494 nan 8.280 nan 0.000 0.553 615 L N 2.897 124.137 121.223 0.028 0.000 2.461 615 L HA 0.138 4.478 4.340 -0.000 0.000 0.272 615 L C -1.464 175.404 176.870 -0.003 0.000 1.197 615 L CA -1.728 53.119 54.840 0.012 0.000 0.836 615 L CB -0.092 41.959 42.059 -0.012 0.000 1.105 615 L HN 0.208 nan 8.230 nan 0.000 0.477 616 P HA 0.127 nan 4.420 nan 0.000 0.270 616 P C -2.458 174.777 177.300 -0.109 0.000 1.223 616 P CA -0.971 62.096 63.100 -0.054 0.000 0.785 616 P CB -0.399 31.266 31.700 -0.059 0.000 0.923 617 P HA 0.181 nan 4.420 nan 0.000 0.267 617 P C 0.240 177.391 177.300 -0.247 0.000 1.209 617 P CA 0.536 63.542 63.100 -0.156 0.000 0.763 617 P CB 0.312 31.931 31.700 -0.135 0.000 0.816 618 G N 1.458 110.100 108.800 -0.262 0.000 2.820 618 G HA2 0.825 4.785 3.960 -0.000 0.000 0.291 618 G HA3 0.825 4.785 3.960 -0.000 0.000 0.291 618 G C -1.456 173.273 174.900 -0.286 0.000 1.323 618 G CA -0.618 44.283 45.100 -0.332 0.000 1.055 618 G HN 0.659 nan 8.290 nan 0.000 0.520 619 A N -0.939 121.727 122.820 -0.257 0.000 2.583 619 A HA 0.732 5.052 4.320 -0.000 0.000 0.292 619 A C -1.059 176.490 177.584 -0.059 0.000 1.045 619 A CA -0.559 51.395 52.037 -0.137 0.000 0.672 619 A CB 1.029 19.931 19.000 -0.163 0.000 1.283 619 A HN 0.709 nan 8.150 nan 0.000 0.419 620 M N 0.069 119.693 119.600 0.040 0.000 2.531 620 M HA 0.735 5.215 4.480 -0.000 0.000 0.286 620 M C -0.543 175.837 176.300 0.135 0.000 1.232 620 M CA -0.481 54.879 55.300 0.099 0.000 0.877 620 M CB 2.599 35.284 32.600 0.141 0.000 1.726 620 M HN 1.514 nan 8.290 nan 0.000 0.463 621 A N 1.361 124.265 122.820 0.141 0.000 2.517 621 A HA 0.871 5.191 4.320 -0.000 0.000 0.297 621 A C -1.240 176.420 177.584 0.126 0.000 1.050 621 A CA -0.697 51.409 52.037 0.115 0.000 0.694 621 A CB 1.394 20.450 19.000 0.092 0.000 1.277 621 A HN 0.941 nan 8.150 nan 0.000 0.400 622 A N 1.351 124.244 122.820 0.121 0.000 2.362 622 A HA 0.604 4.924 4.320 -0.000 0.000 0.276 622 A C 0.270 177.947 177.584 0.156 0.000 1.153 622 A CA 0.197 52.351 52.037 0.196 0.000 0.813 622 A CB -0.295 18.872 19.000 0.278 0.000 1.081 622 A HN 2.151 nan 8.150 nan 0.000 0.507 623 V N 0.715 120.753 119.914 0.207 0.000 2.769 623 V HA 0.838 4.958 4.120 -0.000 0.000 0.312 623 V C 0.529 176.799 176.094 0.293 0.000 1.061 623 V CA -0.133 62.267 62.300 0.167 0.000 0.931 623 V CB 1.604 33.463 31.823 0.061 0.000 1.010 623 V HN 1.129 nan 8.190 nan 0.000 0.433 624 G N 3.755 112.758 108.800 0.339 0.000 3.455 624 G HA2 0.524 4.484 3.960 -0.000 0.000 0.250 624 G HA3 0.524 4.484 3.960 -0.000 0.000 0.250 624 G C -0.397 174.604 174.900 0.168 0.000 1.071 624 G CA 0.083 45.356 45.100 0.289 0.000 1.812 624 G HN 0.956 nan 8.290 nan 0.000 0.643 625 L N -1.507 119.814 121.223 0.163 0.000 2.479 625 L HA 0.707 5.047 4.340 -0.000 0.000 0.255 625 L C 0.410 177.377 176.870 0.162 0.000 1.026 625 L CA -1.293 53.630 54.840 0.138 0.000 0.842 625 L CB 1.052 43.180 42.059 0.116 0.000 1.444 625 L HN 0.036 nan 8.230 nan 0.000 0.409 626 S N -0.414 115.375 115.700 0.149 0.000 2.606 626 S HA 0.057 4.527 4.470 -0.000 0.000 0.257 626 S C 0.605 175.309 174.600 0.173 0.000 1.327 626 S CA -0.269 58.039 58.200 0.181 0.000 0.984 626 S CB 0.357 63.651 63.200 0.156 0.000 0.941 626 S HN 0.875 nan 8.310 nan 0.000 0.576 627 W N 1.570 122.842 121.300 -0.047 0.000 2.409 627 W HA -0.094 4.566 4.660 -0.000 0.000 0.299 627 W C 2.114 178.593 176.519 -0.066 0.000 1.203 627 W CA 1.868 59.131 57.345 -0.137 0.000 1.298 627 W CB -0.404 28.783 29.460 -0.455 0.000 1.127 627 W HN 1.084 nan 8.180 nan 0.000 0.528 628 E N 0.621 120.923 120.200 0.169 0.000 2.152 628 E HA -0.284 4.065 4.350 -0.000 0.000 0.192 628 E C 1.896 178.510 176.600 0.023 0.000 0.983 628 E CA 1.688 58.145 56.400 0.094 0.000 0.818 628 E CB -0.716 29.050 29.700 0.109 0.000 0.758 628 E HN 0.372 nan 8.360 nan 0.000 0.467 629 E N 0.174 120.399 120.200 0.041 0.000 2.107 629 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 629 E C 1.874 178.485 176.600 0.018 0.000 0.982 629 E CA 1.295 57.719 56.400 0.041 0.000 0.809 629 E CB -0.274 29.469 29.700 0.071 0.000 0.756 629 E HN 0.351 nan 8.360 nan 0.000 0.459 630 C N 0.896 120.183 119.300 -0.022 0.000 2.446 630 C HA -0.039 4.421 4.460 -0.000 0.000 0.277 630 C C 2.597 177.478 174.990 -0.180 0.000 1.275 630 C CA 1.208 60.184 59.018 -0.069 0.000 1.727 630 C CB -0.753 26.889 27.740 -0.164 0.000 2.010 630 C HN 0.492 nan 8.230 nan 0.000 0.486 631 K N 0.495 120.752 120.400 -0.238 0.000 2.211 631 K HA -0.213 4.107 4.320 -0.000 0.000 0.203 631 K C 2.069 178.594 176.600 -0.125 0.000 1.050 631 K CA 1.844 58.002 56.287 -0.216 0.000 0.945 631 K CB -0.100 32.293 32.500 -0.178 0.000 0.732 631 K HN 0.758 nan 8.250 nan 0.000 0.451 632 Q N -0.459 119.293 119.800 -0.080 0.000 2.302 632 Q HA -0.012 4.328 4.340 -0.000 0.000 0.202 632 Q C 1.246 177.211 176.000 -0.059 0.000 0.936 632 Q CA 0.704 56.476 55.803 -0.052 0.000 0.886 632 Q CB 0.276 29.004 28.738 -0.017 0.000 0.986 632 Q HN 0.126 nan 8.270 nan 0.000 0.487 633 R N -0.617 119.845 120.500 -0.063 0.000 2.404 633 R HA 0.315 4.655 4.340 -0.000 0.000 0.237 633 R C -0.149 175.949 176.300 -0.336 0.000 0.907 633 R CA -0.139 55.920 56.100 -0.070 0.000 1.063 633 R CB 0.303 30.669 30.300 0.110 0.000 1.134 633 R HN 0.129 nan 8.270 nan 0.000 0.529 634 C N 4.378 123.429 119.300 -0.416 0.000 2.653 634 C HA 0.179 4.639 4.460 -0.000 0.000 0.421 634 C C -1.422 173.278 174.990 -0.484 0.000 1.334 634 C CA -0.888 57.725 59.018 -0.675 0.000 1.885 634 C CB 0.600 28.100 27.740 -0.400 0.000 2.645 634 C HN 0.295 nan 8.230 nan 0.000 0.601 635 P HA 0.260 nan 4.420 nan 0.000 0.274 635 P C -2.708 174.488 177.300 -0.175 0.000 1.256 635 P CA -1.287 61.651 63.100 -0.271 0.000 0.795 635 P CB -0.445 31.124 31.700 -0.217 0.000 1.038 636 P HA 0.106 nan 4.420 nan 0.000 0.264 636 P C 1.003 178.283 177.300 -0.033 0.000 1.193 636 P CA 1.270 64.330 63.100 -0.067 0.000 0.763 636 P CB -0.175 31.497 31.700 -0.047 0.000 0.810 637 G N 1.201 110.007 108.800 0.010 0.000 2.241 637 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.244 637 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.244 637 G C 0.003 174.975 174.900 0.120 0.000 0.998 637 G CA -0.118 45.056 45.100 0.123 0.000 0.621 637 G HN 0.538 nan 8.290 nan 0.000 0.519 638 V N 0.686 120.596 119.914 -0.006 0.000 2.472 638 V HA 0.790 4.910 4.120 -0.000 0.000 0.290 638 V C 0.145 176.206 176.094 -0.054 0.000 1.037 638 V CA -0.537 61.741 62.300 -0.037 0.000 0.908 638 V CB 1.808 33.558 31.823 -0.123 0.000 0.985 638 V HN 0.418 nan 8.190 nan 0.000 0.454 639 V N 6.275 126.179 119.914 -0.018 0.000 2.925 639 V HA 0.580 4.700 4.120 -0.000 0.000 0.311 639 V C -2.436 173.588 176.094 -0.116 0.000 1.104 639 V CA -2.175 60.088 62.300 -0.062 0.000 0.954 639 V CB 3.413 35.254 31.823 0.029 0.000 1.022 639 V HN 0.767 nan 8.190 nan 0.000 0.427 640 P HA 0.250 nan 4.420 nan 0.000 0.271 640 P C -0.238 176.926 177.300 -0.227 0.000 1.216 640 P CA 0.093 62.894 63.100 -0.499 0.000 0.771 640 P CB 1.652 32.492 31.700 -1.434 0.000 0.864 641 A N 2.582 125.455 122.820 0.088 0.000 2.026 641 A HA 0.208 4.528 4.320 -0.000 0.000 0.201 641 A C 0.370 178.204 177.584 0.418 0.000 1.318 641 A CA 0.580 52.798 52.037 0.301 0.000 0.857 641 A CB -0.019 19.164 19.000 0.305 0.000 0.939 641 A HN 0.566 nan 8.150 nan 0.000 0.476 642 C N 0.382 119.948 119.300 0.443 0.000 2.346 642 C HA 0.450 4.910 4.460 -0.000 0.000 0.326 642 C C 0.005 175.358 174.990 0.605 0.000 1.224 642 C CA -0.571 58.688 59.018 0.402 0.000 1.408 642 C CB -0.597 27.322 27.740 0.298 0.000 2.089 642 C HN 0.606 nan 8.230 nan 0.000 0.456 643 H N 3.631 122.923 119.070 0.371 0.000 2.982 643 H HA 0.103 4.659 4.556 -0.000 0.000 0.261 643 H C 0.747 176.251 175.328 0.293 0.000 1.603 643 H CA -0.232 55.981 56.048 0.275 0.000 1.398 643 H CB 0.342 29.940 29.762 -0.274 0.000 1.693 643 H HN 0.664 nan 8.280 nan 0.000 0.535 644 N N 1.459 120.441 118.700 0.471 0.000 2.135 644 N HA -0.099 4.641 4.740 -0.000 0.000 0.186 644 N C 0.344 176.042 175.510 0.313 0.000 1.027 644 N CA 1.111 54.405 53.050 0.408 0.000 0.849 644 N CB 0.302 38.986 38.487 0.327 0.000 1.002 644 N HN 0.581 nan 8.380 nan 0.000 0.425 645 S N -1.702 114.150 115.700 0.254 0.000 2.672 645 S HA 0.366 4.836 4.470 -0.000 0.000 0.271 645 S C 0.550 175.279 174.600 0.215 0.000 1.171 645 S CA -0.858 57.433 58.200 0.151 0.000 0.817 645 S CB 2.319 65.607 63.200 0.146 0.000 1.150 645 S HN -0.122 nan 8.310 nan 0.000 0.478 646 K N -0.040 120.457 120.400 0.161 0.000 2.059 646 K HA -0.142 4.178 4.320 -0.000 0.000 0.212 646 K C -0.054 176.684 176.600 0.230 0.000 1.050 646 K CA 2.059 58.471 56.287 0.209 0.000 0.927 646 K CB -0.346 32.229 32.500 0.125 0.000 0.714 646 K HN 0.579 nan 8.250 nan 0.000 0.447 647 D N 0.060 120.566 120.400 0.177 0.000 2.501 647 D HA 0.042 4.682 4.640 -0.000 0.000 0.226 647 D C -0.589 175.815 176.300 0.174 0.000 1.198 647 D CA 0.212 54.307 54.000 0.159 0.000 0.830 647 D CB 0.931 41.795 40.800 0.106 0.000 1.014 647 D HN 0.258 nan 8.370 nan 0.000 0.496 648 T N -2.530 112.160 114.554 0.228 0.000 2.993 648 T HA 0.659 5.009 4.350 -0.000 0.000 0.312 648 T C -0.774 174.119 174.700 0.322 0.000 1.115 648 T CA -0.653 61.592 62.100 0.241 0.000 1.027 648 T CB 1.974 70.951 68.868 0.183 0.000 1.116 648 T HN -0.234 nan 8.240 nan 0.000 0.464 649 V N 1.910 122.008 119.914 0.305 0.000 3.114 649 V HA 0.726 4.846 4.120 -0.000 0.000 0.308 649 V C -0.287 175.974 176.094 0.277 0.000 1.168 649 V CA -0.868 61.636 62.300 0.340 0.000 1.015 649 V CB 2.840 34.835 31.823 0.287 0.000 1.050 649 V HN 1.145 nan 8.190 nan 0.000 0.433 650 T N 4.542 119.270 114.554 0.289 0.000 2.770 650 T HA 0.637 4.987 4.350 -0.000 0.000 0.283 650 T C -0.253 174.565 174.700 0.197 0.000 0.988 650 T CA -0.110 62.137 62.100 0.245 0.000 0.957 650 T CB 0.690 69.724 68.868 0.276 0.000 0.930 650 T HN 0.606 nan 8.240 nan 0.000 0.443 651 I N -0.029 120.638 120.570 0.162 0.000 2.664 651 I HA 0.895 5.065 4.170 -0.000 0.000 0.308 651 I C -0.009 176.184 176.117 0.126 0.000 0.984 651 I CA -0.640 60.731 61.300 0.118 0.000 1.213 651 I CB 1.830 39.914 38.000 0.139 0.000 1.379 651 I HN 0.490 nan 8.210 nan 0.000 0.501 652 S N 1.836 117.594 115.700 0.097 0.000 2.543 652 S HA 0.892 5.362 4.470 -0.000 0.000 0.271 652 S C -0.540 174.090 174.600 0.050 0.000 1.148 652 S CA 0.154 58.406 58.200 0.087 0.000 0.914 652 S CB 1.479 64.776 63.200 0.162 0.000 1.096 652 S HN 1.393 nan 8.310 nan 0.000 0.471 653 G N 3.187 111.949 108.800 -0.063 0.000 2.335 653 G HA2 0.456 4.416 3.960 -0.000 0.000 0.291 653 G HA3 0.456 4.416 3.960 -0.000 0.000 0.291 653 G C -3.589 171.057 174.900 -0.423 0.000 1.261 653 G CA -0.615 44.368 45.100 -0.195 0.000 0.871 653 G HN 0.546 nan 8.290 nan 0.000 0.491 654 P HA 0.193 nan 4.420 nan 0.000 0.269 654 P C 0.675 177.729 177.300 -0.411 0.000 1.215 654 P CA -0.077 62.739 63.100 -0.475 0.000 0.780 654 P CB 1.099 32.582 31.700 -0.362 0.000 0.898 655 Q N 2.943 122.468 119.800 -0.457 0.000 2.014 655 Q HA -0.283 4.057 4.340 -0.000 0.000 0.207 655 Q C 1.855 177.368 176.000 -0.812 0.000 0.993 655 Q CA 2.582 57.953 55.803 -0.721 0.000 0.850 655 Q CB -0.794 27.577 28.738 -0.611 0.000 0.916 655 Q HN 0.505 nan 8.270 nan 0.000 0.417 656 A N 1.225 123.782 122.820 -0.438 0.000 1.859 656 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 656 A C -0.299 177.196 177.584 -0.149 0.000 1.198 656 A CA 1.866 53.759 52.037 -0.240 0.000 0.629 656 A CB -1.921 17.005 19.000 -0.123 0.000 0.830 656 A HN 0.542 nan 8.150 nan 0.000 0.446 657 P HA -0.058 nan 4.420 nan 0.000 0.218 657 P C 1.627 178.923 177.300 -0.007 0.000 1.149 657 P CA 1.193 64.258 63.100 -0.058 0.000 0.817 657 P CB -0.239 31.412 31.700 -0.082 0.000 0.785 658 V N -0.526 119.334 119.914 -0.089 0.000 2.307 658 V HA -0.217 3.903 4.120 -0.000 0.000 0.245 658 V C 2.460 178.693 176.094 0.232 0.000 1.045 658 V CA 1.727 64.048 62.300 0.035 0.000 1.024 658 V CB -1.391 30.391 31.823 -0.067 0.000 0.651 658 V HN -0.077 nan 8.190 nan 0.000 0.449 659 F N 0.610 120.573 119.950 0.022 0.000 2.102 659 F HA -0.110 4.416 4.527 -0.000 0.000 0.298 659 F C 2.597 178.409 175.800 0.020 0.000 1.105 659 F CA 1.016 59.020 58.000 0.006 0.000 1.239 659 F CB -1.144 37.849 39.000 -0.012 0.000 0.991 659 F HN 0.252 nan 8.300 nan 0.000 0.474 660 E N -0.782 119.560 120.200 0.237 0.000 2.153 660 E HA -0.222 4.128 4.350 -0.000 0.000 0.194 660 E C 2.197 178.907 176.600 0.184 0.000 0.988 660 E CA 0.940 57.435 56.400 0.158 0.000 0.811 660 E CB -0.577 29.192 29.700 0.116 0.000 0.746 660 E HN 0.346 nan 8.360 nan 0.000 0.466 661 F N 1.329 121.301 119.950 0.038 0.000 2.234 661 F HA -0.129 4.398 4.527 -0.000 0.000 0.299 661 F C 2.090 177.902 175.800 0.019 0.000 1.087 661 F CA 0.565 58.576 58.000 0.019 0.000 1.340 661 F CB -0.281 38.724 39.000 0.009 0.000 1.031 661 F HN -0.242 nan 8.300 nan 0.000 0.500 662 V N 0.272 120.193 119.914 0.012 0.000 2.307 662 V HA -0.274 3.845 4.120 -0.000 0.000 0.245 662 V C 2.205 178.219 176.094 -0.134 0.000 1.045 662 V CA 2.319 64.547 62.300 -0.119 0.000 1.024 662 V CB -0.524 31.285 31.823 -0.022 0.000 0.651 662 V HN 0.275 nan 8.190 nan 0.000 0.449 663 E N -0.406 119.761 120.200 -0.056 0.000 2.072 663 E HA -0.223 4.127 4.350 -0.000 0.000 0.190 663 E C 2.293 178.858 176.600 -0.059 0.000 0.982 663 E CA 1.061 57.427 56.400 -0.056 0.000 0.803 663 E CB -0.166 29.521 29.700 -0.022 0.000 0.755 663 E HN 0.653 nan 8.360 nan 0.000 0.453 664 Q N 0.411 120.188 119.800 -0.037 0.000 2.181 664 Q HA -0.154 4.186 4.340 -0.000 0.000 0.205 664 Q C 2.218 178.162 176.000 -0.093 0.000 0.980 664 Q CA 0.975 56.762 55.803 -0.027 0.000 0.862 664 Q CB -0.093 28.672 28.738 0.046 0.000 0.905 664 Q HN 0.311 nan 8.270 nan 0.000 0.429 665 L N 0.278 121.376 121.223 -0.209 0.000 2.005 665 L HA -0.179 4.161 4.340 -0.000 0.000 0.207 665 L C 2.540 179.321 176.870 -0.149 0.000 1.072 665 L CA 1.164 55.847 54.840 -0.262 0.000 0.744 665 L CB -0.421 41.370 42.059 -0.446 0.000 0.895 665 L HN 0.241 nan 8.230 nan 0.000 0.433 666 R N 0.672 121.090 120.500 -0.136 0.000 2.096 666 R HA -0.209 4.131 4.340 -0.000 0.000 0.240 666 R C 2.110 178.377 176.300 -0.055 0.000 1.139 666 R CA 1.417 57.461 56.100 -0.093 0.000 0.952 666 R CB -0.615 29.629 30.300 -0.093 0.000 0.854 666 R HN 0.430 nan 8.270 nan 0.000 0.436 667 K N 0.959 121.330 120.400 -0.050 0.000 2.280 667 K HA -0.138 4.181 4.320 -0.000 0.000 0.202 667 K C 1.339 177.928 176.600 -0.019 0.000 1.047 667 K CA 1.236 57.506 56.287 -0.028 0.000 0.942 667 K CB 0.001 32.488 32.500 -0.021 0.000 0.739 667 K HN 0.409 nan 8.250 nan 0.000 0.457 668 E N -0.260 119.925 120.200 -0.026 0.000 2.444 668 E HA 0.090 4.440 4.350 -0.000 0.000 0.191 668 E C 0.562 177.159 176.600 -0.005 0.000 1.041 668 E CA 0.137 56.530 56.400 -0.012 0.000 0.883 668 E CB 0.645 30.338 29.700 -0.011 0.000 1.024 668 E HN 0.402 nan 8.360 nan 0.000 0.470 669 G N 1.077 109.873 108.800 -0.006 0.000 2.136 669 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.242 669 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.242 669 G C 0.236 175.151 174.900 0.025 0.000 0.989 669 G CA 0.090 45.197 45.100 0.011 0.000 0.682 669 G HN 0.189 nan 8.290 nan 0.000 0.522 670 V N 0.991 120.908 119.914 0.004 0.000 2.481 670 V HA 0.612 4.731 4.120 -0.000 0.000 0.286 670 V C 0.623 176.742 176.094 0.041 0.000 1.042 670 V CA -0.841 61.475 62.300 0.026 0.000 0.928 670 V CB 1.428 33.236 31.823 -0.024 0.000 0.986 670 V HN 0.418 nan 8.190 nan 0.000 0.462 671 F N 4.601 124.535 119.950 -0.027 0.000 2.538 671 F HA 0.519 5.046 4.527 -0.000 0.000 0.371 671 F C 0.386 176.168 175.800 -0.031 0.000 1.087 671 F CA -0.032 57.956 58.000 -0.019 0.000 1.250 671 F CB 0.417 39.419 39.000 0.005 0.000 1.110 671 F HN 0.555 nan 8.300 nan 0.000 0.570 672 A N 7.289 129.555 122.820 -0.923 0.000 2.684 672 A HA 0.377 4.697 4.320 -0.000 0.000 0.289 672 A C -1.127 176.029 177.584 -0.713 0.000 1.139 672 A CA -0.842 50.786 52.037 -0.682 0.000 0.793 672 A CB 0.527 19.314 19.000 -0.356 0.000 1.334 672 A HN 0.774 nan 8.150 nan 0.000 0.408 673 K N 2.389 122.350 120.400 -0.733 0.000 2.274 673 K HA 0.347 4.667 4.320 -0.000 0.000 0.262 673 K C 0.085 176.618 176.600 -0.111 0.000 0.961 673 K CA -0.471 55.599 56.287 -0.362 0.000 0.833 673 K CB 1.080 33.454 32.500 -0.209 0.000 1.102 673 K HN 0.788 nan 8.250 nan 0.000 0.436 674 E N 1.796 121.951 120.200 -0.075 0.000 2.478 674 E HA 0.031 4.381 4.350 -0.000 0.000 0.262 674 E C -0.973 175.663 176.600 0.061 0.000 1.243 674 E CA 0.268 56.671 56.400 0.004 0.000 1.039 674 E CB 0.885 30.569 29.700 -0.027 0.000 0.983 674 E HN 0.317 nan 8.360 nan 0.000 0.479 675 V N 2.305 122.277 119.914 0.097 0.000 2.711 675 V HA 0.242 4.362 4.120 -0.000 0.000 0.304 675 V C -0.207 175.965 176.094 0.131 0.000 1.097 675 V CA -0.643 61.733 62.300 0.128 0.000 0.906 675 V CB 1.839 33.761 31.823 0.165 0.000 1.015 675 V HN 0.590 nan 8.190 nan 0.000 0.427 676 R N 2.081 122.663 120.500 0.136 0.000 2.449 676 R HA 0.441 4.781 4.340 -0.000 0.000 0.296 676 R C 0.754 177.160 176.300 0.176 0.000 1.047 676 R CA 0.947 57.127 56.100 0.134 0.000 1.018 676 R CB 0.735 31.119 30.300 0.139 0.000 0.962 676 R HN 0.984 nan 8.270 nan 0.000 0.428 677 T N -0.636 113.991 114.554 0.122 0.000 3.502 677 T HA 0.172 4.522 4.350 -0.000 0.000 0.310 677 T C 0.802 175.504 174.700 0.003 0.000 0.902 677 T CA 0.025 62.205 62.100 0.133 0.000 0.964 677 T CB 0.657 69.464 68.868 -0.101 0.000 1.200 677 T HN 0.715 nan 8.240 nan 0.000 0.599 678 G N 1.164 109.970 108.800 0.011 0.000 2.273 678 G HA2 0.207 4.167 3.960 -0.000 0.000 0.280 678 G HA3 0.207 4.167 3.960 -0.000 0.000 0.280 678 G C 1.190 176.045 174.900 -0.075 0.000 1.047 678 G CA 0.428 45.510 45.100 -0.031 0.000 0.869 678 G HN 1.982 nan 8.290 nan 0.000 0.502 679 G N -1.767 106.986 108.800 -0.079 0.000 2.221 679 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.265 679 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.265 679 G C 0.262 175.042 174.900 -0.200 0.000 1.041 679 G CA 1.121 46.158 45.100 -0.106 0.000 0.807 679 G HN 1.049 nan 8.290 nan 0.000 0.502 680 M N -0.527 118.872 119.600 -0.335 0.000 2.602 680 M HA 0.684 5.164 4.480 -0.000 0.000 0.312 680 M C 0.197 176.118 176.300 -0.630 0.000 1.181 680 M CA -0.737 54.267 55.300 -0.494 0.000 0.910 680 M CB 2.186 34.436 32.600 -0.584 0.000 1.723 680 M HN 0.612 nan 8.290 nan 0.000 0.459 681 A N 2.709 125.270 122.820 -0.431 0.000 2.540 681 A HA 0.642 4.962 4.320 -0.000 0.000 0.340 681 A C -0.780 176.747 177.584 -0.095 0.000 1.424 681 A CA -0.451 51.437 52.037 -0.248 0.000 0.940 681 A CB -0.452 18.440 19.000 -0.180 0.000 1.149 681 A HN 0.569 nan 8.150 nan 0.000 0.505 682 F N 0.918 120.912 119.950 0.074 0.000 2.403 682 F HA 0.310 4.836 4.527 -0.000 0.000 0.320 682 F C 1.512 177.330 175.800 0.029 0.000 1.176 682 F CA 0.113 58.095 58.000 -0.030 0.000 1.206 682 F CB 0.133 39.073 39.000 -0.100 0.000 1.235 682 F HN 0.667 nan 8.300 nan 0.000 0.565 683 H N -1.303 117.971 119.070 0.341 0.000 2.741 683 H HA -0.160 4.396 4.556 -0.000 0.000 0.305 683 H C 0.051 175.511 175.328 0.220 0.000 1.169 683 H CA 0.572 56.759 56.048 0.231 0.000 1.144 683 H CB -1.717 28.178 29.762 0.223 0.000 1.397 683 H HN 0.537 nan 8.280 nan 0.000 0.409 684 S N -1.774 114.085 115.700 0.264 0.000 2.720 684 S HA 0.372 4.842 4.470 -0.000 0.000 0.287 684 S C 0.780 175.493 174.600 0.190 0.000 1.168 684 S CA -0.444 57.919 58.200 0.271 0.000 0.832 684 S CB 1.629 65.057 63.200 0.380 0.000 1.166 684 S HN 0.097 nan 8.310 nan 0.000 0.493 685 Y N 1.196 121.479 120.300 -0.029 0.000 2.256 685 Y HA -0.010 4.540 4.550 -0.000 0.000 0.288 685 Y C 1.302 177.002 175.900 -0.334 0.000 1.155 685 Y CA 1.319 59.262 58.100 -0.263 0.000 1.203 685 Y CB -0.706 37.452 38.460 -0.503 0.000 0.980 685 Y HN 0.627 nan 8.280 nan 0.000 0.530 686 F N -0.796 119.077 119.950 -0.128 0.000 2.546 686 F HA -0.183 4.344 4.527 -0.000 0.000 0.298 686 F C 1.932 177.623 175.800 -0.181 0.000 1.120 686 F CA 0.629 58.500 58.000 -0.215 0.000 1.456 686 F CB -0.500 38.451 39.000 -0.081 0.000 1.088 686 F HN 0.109 nan 8.300 nan 0.000 0.572 687 M N -0.737 118.855 119.600 -0.014 0.000 2.509 687 M HA 0.001 4.481 4.480 -0.000 0.000 0.250 687 M C 1.706 177.959 176.300 -0.078 0.000 1.132 687 M CA 0.661 55.963 55.300 0.003 0.000 1.080 687 M CB -0.798 31.838 32.600 0.060 0.000 1.408 687 M HN 0.186 nan 8.290 nan 0.000 0.484 688 E N 1.108 121.189 120.200 -0.199 0.000 2.160 688 E HA -0.139 4.211 4.350 -0.000 0.000 0.195 688 E C 1.917 178.430 176.600 -0.144 0.000 0.991 688 E CA 1.484 57.773 56.400 -0.184 0.000 0.810 688 E CB 0.023 29.572 29.700 -0.251 0.000 0.742 688 E HN 0.502 nan 8.360 nan 0.000 0.466 689 A N 0.362 123.082 122.820 -0.167 0.000 2.167 689 A HA -0.075 4.245 4.320 -0.000 0.000 0.214 689 A C 1.775 179.329 177.584 -0.050 0.000 1.151 689 A CA 0.572 52.550 52.037 -0.098 0.000 0.735 689 A CB -0.070 18.873 19.000 -0.095 0.000 0.802 689 A HN 0.134 nan 8.150 nan 0.000 0.467 690 I N -0.548 119.998 120.570 -0.039 0.000 2.852 690 I HA -0.041 4.129 4.170 -0.000 0.000 0.264 690 I C 2.739 178.850 176.117 -0.010 0.000 1.179 690 I CA 0.885 62.178 61.300 -0.011 0.000 1.480 690 I CB -1.596 36.413 38.000 0.014 0.000 1.111 690 I HN 0.319 nan 8.210 nan 0.000 0.441 691 A N 2.427 125.235 122.820 -0.019 0.000 1.869 691 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 691 A C 0.225 177.800 177.584 -0.014 0.000 1.203 691 A CA 2.091 54.120 52.037 -0.014 0.000 0.638 691 A CB -2.128 16.862 19.000 -0.017 0.000 0.831 691 A HN 0.258 nan 8.150 nan 0.000 0.450 692 P HA -0.128 nan 4.420 nan 0.000 0.214 692 P C -1.302 175.982 177.300 -0.027 0.000 1.163 692 P CA 2.297 65.385 63.100 -0.020 0.000 0.889 692 P CB -0.847 30.842 31.700 -0.018 0.000 0.790 693 P HA -0.091 nan 4.420 nan 0.000 0.219 693 P C 1.673 178.941 177.300 -0.053 0.000 1.150 693 P CA 0.926 64.003 63.100 -0.038 0.000 0.814 693 P CB -0.285 31.403 31.700 -0.019 0.000 0.787 694 L N -0.160 121.050 121.223 -0.023 0.000 2.027 694 L HA -0.081 4.258 4.340 -0.000 0.000 0.206 694 L C 2.412 179.260 176.870 -0.036 0.000 1.074 694 L CA 1.507 56.342 54.840 -0.009 0.000 0.745 694 L CB -1.795 40.278 42.059 0.023 0.000 0.898 694 L HN -0.164 nan 8.230 nan 0.000 0.433 695 L N -0.357 120.849 121.223 -0.028 0.000 2.079 695 L HA -0.259 4.081 4.340 -0.000 0.000 0.210 695 L C 2.618 179.453 176.870 -0.057 0.000 1.081 695 L CA 2.201 57.024 54.840 -0.027 0.000 0.752 695 L CB -0.760 41.289 42.059 -0.016 0.000 0.896 695 L HN 0.603 nan 8.230 nan 0.000 0.433 696 Q N -1.062 118.690 119.800 -0.080 0.000 2.119 696 Q HA -0.207 4.133 4.340 -0.000 0.000 0.201 696 Q C 1.864 177.752 176.000 -0.187 0.000 0.972 696 Q CA 1.566 57.304 55.803 -0.109 0.000 0.847 696 Q CB -0.025 28.652 28.738 -0.100 0.000 0.903 696 Q HN 0.552 nan 8.270 nan 0.000 0.433 697 E N 0.620 120.648 120.200 -0.285 0.000 2.072 697 E HA -0.115 4.235 4.350 -0.000 0.000 0.190 697 E C 2.172 178.560 176.600 -0.354 0.000 0.982 697 E CA 0.739 56.810 56.400 -0.548 0.000 0.803 697 E CB -0.137 28.992 29.700 -0.952 0.000 0.755 697 E HN 0.452 nan 8.360 nan 0.000 0.453 698 L N 0.549 121.676 121.223 -0.160 0.000 2.201 698 L HA -0.111 4.229 4.340 -0.000 0.000 0.212 698 L C 2.337 179.194 176.870 -0.021 0.000 1.105 698 L CA 0.918 55.736 54.840 -0.035 0.000 0.775 698 L CB -0.273 41.803 42.059 0.028 0.000 0.913 698 L HN 0.044 nan 8.230 nan 0.000 0.440 699 K N 0.228 120.600 120.400 -0.045 0.000 2.211 699 K HA -0.124 4.196 4.320 -0.000 0.000 0.203 699 K C 1.995 178.580 176.600 -0.024 0.000 1.050 699 K CA 0.970 57.243 56.287 -0.024 0.000 0.945 699 K CB 0.119 32.602 32.500 -0.030 0.000 0.732 699 K HN 0.285 nan 8.250 nan 0.000 0.451 700 K N 0.046 120.413 120.400 -0.054 0.000 2.243 700 K HA -0.008 4.312 4.320 -0.000 0.000 0.201 700 K C 1.865 178.474 176.600 0.015 0.000 1.051 700 K CA 0.670 56.939 56.287 -0.031 0.000 0.970 700 K CB 0.306 32.766 32.500 -0.067 0.000 0.755 700 K HN -0.051 nan 8.250 nan 0.000 0.465 701 V N 1.649 121.579 119.914 0.026 0.000 2.379 701 V HA -0.043 4.077 4.120 -0.000 0.000 0.243 701 V C 1.294 177.435 176.094 0.079 0.000 1.035 701 V CA 0.984 63.339 62.300 0.091 0.000 1.035 701 V CB -0.058 31.858 31.823 0.155 0.000 0.673 701 V HN 0.180 nan 8.190 nan 0.000 0.457 702 I N 0.658 121.266 120.570 0.063 0.000 2.317 702 I HA 0.272 4.441 4.170 -0.000 0.000 0.286 702 I C 1.339 177.480 176.117 0.039 0.000 1.119 702 I CA -0.014 61.321 61.300 0.058 0.000 1.228 702 I CB 0.350 38.390 38.000 0.067 0.000 1.476 702 I HN 0.080 nan 8.210 nan 0.000 0.514 703 R N 2.374 122.895 120.500 0.035 0.000 2.148 703 R HA 0.029 4.369 4.340 -0.000 0.000 0.223 703 R C 0.061 176.373 176.300 0.020 0.000 1.088 703 R CA 1.034 57.149 56.100 0.024 0.000 0.985 703 R CB 0.191 30.505 30.300 0.024 0.000 0.880 703 R HN 0.533 nan 8.270 nan 0.000 0.451 704 E N 0.444 120.658 120.200 0.023 0.000 2.873 704 E HA 0.216 4.566 4.350 -0.000 0.000 0.232 704 E C -2.533 174.077 176.600 0.017 0.000 1.123 704 E CA -1.884 54.526 56.400 0.017 0.000 0.809 704 E CB 1.527 31.235 29.700 0.014 0.000 1.366 704 E HN -0.001 nan 8.360 nan 0.000 0.400 705 P HA -0.081 nan 4.420 nan 0.000 0.266 705 P C -0.629 176.671 177.300 0.000 0.000 1.186 705 P CA 0.355 63.462 63.100 0.012 0.000 0.767 705 P CB 0.661 32.366 31.700 0.008 0.000 0.820 706 K N 3.099 123.496 120.400 -0.005 0.000 2.318 706 K HA 0.471 4.791 4.320 -0.000 0.000 0.249 706 K C -2.505 174.075 176.600 -0.034 0.000 0.942 706 K CA -2.222 54.058 56.287 -0.012 0.000 0.808 706 K CB 1.535 34.034 32.500 -0.001 0.000 1.189 706 K HN 0.318 nan 8.250 nan 0.000 0.428 707 P HA 0.088 nan 4.420 nan 0.000 0.271 707 P C -0.952 176.307 177.300 -0.069 0.000 1.216 707 P CA -0.104 62.957 63.100 -0.066 0.000 0.771 707 P CB 0.597 32.269 31.700 -0.047 0.000 0.864 708 R N 1.458 121.871 120.500 -0.145 0.000 2.438 708 R HA 0.262 4.601 4.340 -0.000 0.000 0.287 708 R C 1.172 177.415 176.300 -0.095 0.000 1.077 708 R CA -0.272 55.745 56.100 -0.138 0.000 1.034 708 R CB 0.360 30.341 30.300 -0.531 0.000 0.993 708 R HN 0.576 nan 8.270 nan 0.000 0.459 709 S N 1.598 117.294 115.700 -0.006 0.000 2.617 709 S HA 0.131 4.600 4.470 -0.000 0.000 0.259 709 S C 1.173 175.732 174.600 -0.068 0.000 1.301 709 S CA -0.084 58.095 58.200 -0.034 0.000 0.984 709 S CB 1.349 64.530 63.200 -0.032 0.000 0.954 709 S HN 0.686 nan 8.310 nan 0.000 0.572 710 A N 0.755 123.537 122.820 -0.064 0.000 2.169 710 A HA 0.161 4.481 4.320 -0.000 0.000 0.212 710 A C 2.218 179.752 177.584 -0.083 0.000 1.153 710 A CA 0.334 52.330 52.037 -0.069 0.000 0.756 710 A CB -0.499 18.496 19.000 -0.009 0.000 0.813 710 A HN 0.886 nan 8.150 nan 0.000 0.471 711 R N -2.049 118.391 120.500 -0.099 0.000 2.189 711 R HA -0.089 4.251 4.340 -0.000 0.000 0.218 711 R C 0.346 176.564 176.300 -0.136 0.000 1.074 711 R CA 0.585 56.572 56.100 -0.190 0.000 0.991 711 R CB -0.008 30.128 30.300 -0.274 0.000 0.883 711 R HN 0.627 nan 8.270 nan 0.000 0.457 712 W N 1.779 122.912 121.300 -0.279 0.000 2.308 712 W HA 0.276 4.935 4.660 -0.000 0.000 0.311 712 W C -1.463 174.855 176.519 -0.335 0.000 1.088 712 W CA -1.684 55.510 57.345 -0.253 0.000 1.309 712 W CB 0.358 29.686 29.460 -0.220 0.000 1.229 712 W HN -0.192 nan 8.180 nan 0.000 0.427 713 L N 6.132 127.415 121.223 0.099 0.000 2.260 713 L HA 0.173 4.512 4.340 -0.000 0.000 0.289 713 L C 0.914 177.657 176.870 -0.212 0.000 1.057 713 L CA -0.505 54.111 54.840 -0.374 0.000 0.811 713 L CB 0.490 42.508 42.059 -0.069 0.000 1.184 713 L HN 0.462 nan 8.230 nan 0.000 0.429 714 S N 1.482 116.800 115.700 -0.636 0.000 2.549 714 S HA 0.161 4.631 4.470 -0.000 0.000 0.286 714 S C 1.147 175.841 174.600 0.157 0.000 1.314 714 S CA 0.251 58.340 58.200 -0.184 0.000 1.062 714 S CB 0.373 63.434 63.200 -0.231 0.000 0.865 714 S HN 0.798 nan 8.310 nan 0.000 0.498 715 T N 0.221 114.900 114.554 0.208 0.000 3.044 715 T HA 0.156 4.506 4.350 -0.000 0.000 0.260 715 T C 1.268 176.025 174.700 0.095 0.000 1.019 715 T CA 0.308 62.522 62.100 0.189 0.000 0.921 715 T CB -0.063 68.937 68.868 0.220 0.000 1.053 715 T HN 0.570 nan 8.240 nan 0.000 0.533 716 S N 0.787 116.521 115.700 0.056 0.000 2.505 716 S HA 0.435 4.905 4.470 -0.000 0.000 0.216 716 S C 0.419 175.003 174.600 -0.026 0.000 1.018 716 S CA -0.556 57.623 58.200 -0.034 0.000 0.911 716 S CB -0.172 62.925 63.200 -0.171 0.000 0.818 716 S HN 0.505 nan 8.310 nan 0.000 0.497 717 I N 3.041 123.641 120.570 0.050 0.000 2.418 717 I HA 0.434 4.603 4.170 -0.000 0.000 0.287 717 I C -2.915 173.336 176.117 0.223 0.000 1.008 717 I CA -2.732 58.635 61.300 0.112 0.000 1.104 717 I CB 2.045 40.120 38.000 0.125 0.000 1.264 717 I HN -0.089 nan 8.210 nan 0.000 0.438 718 P HA -0.023 nan 4.420 nan 0.000 0.267 718 P C 0.721 177.774 177.300 -0.412 0.000 1.200 718 P CA 0.081 63.118 63.100 -0.104 0.000 0.772 718 P CB 0.781 32.411 31.700 -0.117 0.000 0.855 719 E N 2.697 122.401 120.200 -0.827 0.000 2.097 719 E HA -0.301 4.049 4.350 -0.000 0.000 0.196 719 E C 1.755 177.788 176.600 -0.944 0.000 1.000 719 E CA 1.611 56.966 56.400 -1.743 0.000 0.804 719 E CB -0.382 28.519 29.700 -1.332 0.000 0.740 719 E HN 0.507 nan 8.360 nan 0.000 0.454 720 A N 0.260 122.787 122.820 -0.489 0.000 2.032 720 A HA -0.225 4.095 4.320 -0.000 0.000 0.221 720 A C 1.843 179.328 177.584 -0.165 0.000 1.165 720 A CA 1.652 53.534 52.037 -0.259 0.000 0.645 720 A CB -0.262 18.635 19.000 -0.171 0.000 0.807 720 A HN 0.280 nan 8.150 nan 0.000 0.453 721 Q N -2.064 117.641 119.800 -0.158 0.000 2.247 721 Q HA 0.080 4.420 4.340 -0.000 0.000 0.204 721 Q C 0.809 176.865 176.000 0.094 0.000 0.872 721 Q CA -0.245 55.549 55.803 -0.014 0.000 0.951 721 Q CB 0.135 28.882 28.738 0.014 0.000 1.099 721 Q HN 0.801 nan 8.270 nan 0.000 0.501 722 W N -0.059 121.122 121.300 -0.199 0.000 2.424 722 W HA -0.111 4.549 4.660 -0.000 0.000 0.264 722 W C 0.968 177.266 176.519 -0.368 0.000 1.229 722 W CA 0.962 58.118 57.345 -0.313 0.000 1.208 722 W CB -0.217 28.993 29.460 -0.417 0.000 1.127 722 W HN 0.367 nan 8.180 nan 0.000 0.588 723 H N -1.009 118.168 119.070 0.179 0.000 2.549 723 H HA 0.140 4.696 4.556 -0.000 0.000 0.279 723 H C 1.294 176.658 175.328 0.059 0.000 1.018 723 H CA 0.531 56.635 56.048 0.093 0.000 1.175 723 H CB -0.333 29.473 29.762 0.073 0.000 1.485 723 H HN -0.093 nan 8.280 nan 0.000 0.543 724 S N -0.412 115.369 115.700 0.135 0.000 2.596 724 S HA 0.037 4.506 4.470 -0.000 0.000 0.260 724 S C 1.666 176.309 174.600 0.072 0.000 1.336 724 S CA -0.096 58.158 58.200 0.090 0.000 0.993 724 S CB 1.580 64.823 63.200 0.072 0.000 0.923 724 S HN 0.114 nan 8.310 nan 0.000 0.567 725 S N 0.318 116.050 115.700 0.054 0.000 2.383 725 S HA -0.057 4.413 4.470 -0.000 0.000 0.227 725 S C 1.644 176.269 174.600 0.042 0.000 1.026 725 S CA 0.964 59.188 58.200 0.040 0.000 0.981 725 S CB -0.765 62.454 63.200 0.032 0.000 0.818 725 S HN 0.659 nan 8.310 nan 0.000 0.472 726 L N 1.840 123.097 121.223 0.057 0.000 2.046 726 L HA 0.074 4.414 4.340 -0.000 0.000 0.208 726 L C 2.133 179.085 176.870 0.137 0.000 1.077 726 L CA 1.970 56.860 54.840 0.084 0.000 0.747 726 L CB -0.906 41.194 42.059 0.068 0.000 0.896 726 L HN 0.248 nan 8.230 nan 0.000 0.432 727 A N -1.062 121.821 122.820 0.105 0.000 2.206 727 A HA -0.079 4.241 4.320 -0.000 0.000 0.211 727 A C 2.402 179.922 177.584 -0.106 0.000 1.158 727 A CA 0.767 52.843 52.037 0.066 0.000 0.761 727 A CB -0.641 18.394 19.000 0.059 0.000 0.801 727 A HN 0.474 nan 8.150 nan 0.000 0.473 728 R N 0.212 120.677 120.500 -0.058 0.000 2.075 728 R HA -0.065 4.275 4.340 -0.000 0.000 0.232 728 R C 0.657 176.866 176.300 -0.153 0.000 1.126 728 R CA 1.728 57.776 56.100 -0.086 0.000 0.963 728 R CB -0.106 30.178 30.300 -0.026 0.000 0.858 728 R HN 0.567 nan 8.270 nan 0.000 0.435 729 T N -3.575 110.885 114.554 -0.156 0.000 2.916 729 T HA 0.220 4.570 4.350 -0.000 0.000 0.292 729 T C -0.334 174.193 174.700 -0.289 0.000 1.064 729 T CA -0.809 61.188 62.100 -0.173 0.000 1.011 729 T CB 1.895 70.720 68.868 -0.072 0.000 1.152 729 T HN -0.074 nan 8.240 nan 0.000 0.510 730 S N 1.950 117.505 115.700 -0.241 0.000 4.087 730 S HA 0.426 4.896 4.470 -0.000 0.000 0.213 730 S C 0.506 175.109 174.600 0.004 0.000 1.415 730 S CA -0.697 57.379 58.200 -0.207 0.000 0.893 730 S CB -1.508 61.702 63.200 0.017 0.000 1.529 730 S HN 0.903 nan 8.310 nan 0.000 0.457 731 S N 2.445 118.173 115.700 0.047 0.000 2.738 731 S HA 0.726 5.195 4.470 -0.000 0.000 0.284 731 S C 1.571 176.243 174.600 0.121 0.000 1.146 731 S CA -0.337 57.909 58.200 0.077 0.000 0.997 731 S CB 0.979 64.218 63.200 0.065 0.000 1.081 731 S HN 0.561 nan 8.310 nan 0.000 0.553 732 A N 0.512 123.383 122.820 0.084 0.000 1.908 732 A HA -0.076 4.244 4.320 -0.000 0.000 0.218 732 A C 1.989 179.622 177.584 0.082 0.000 1.181 732 A CA 1.886 53.968 52.037 0.076 0.000 0.627 732 A CB -1.300 17.723 19.000 0.038 0.000 0.818 732 A HN 0.897 nan 8.150 nan 0.000 0.445 733 E N -1.461 118.786 120.200 0.078 0.000 2.051 733 E HA -0.196 4.153 4.350 -0.000 0.000 0.192 733 E C 1.807 178.460 176.600 0.088 0.000 0.991 733 E CA 1.583 58.023 56.400 0.066 0.000 0.799 733 E CB -0.456 29.278 29.700 0.057 0.000 0.748 733 E HN 0.763 nan 8.360 nan 0.000 0.449 734 Y N 1.562 121.864 120.300 0.005 0.000 2.165 734 Y HA -0.227 4.323 4.550 -0.000 0.000 0.286 734 Y C 1.750 177.666 175.900 0.027 0.000 1.155 734 Y CA 1.618 59.717 58.100 -0.001 0.000 1.164 734 Y CB -0.014 38.429 38.460 -0.029 0.000 0.978 734 Y HN 0.051 nan 8.280 nan 0.000 0.513 735 N N -0.474 118.363 118.700 0.230 0.000 2.270 735 N HA -0.142 4.598 4.740 -0.000 0.000 0.181 735 N C 1.872 177.407 175.510 0.042 0.000 1.016 735 N CA 1.453 54.596 53.050 0.154 0.000 0.870 735 N CB -0.166 38.428 38.487 0.177 0.000 0.979 735 N HN 0.281 nan 8.380 nan 0.000 0.431 736 V N 1.719 121.651 119.914 0.030 0.000 2.379 736 V HA -0.177 3.943 4.120 -0.000 0.000 0.245 736 V C 2.125 178.207 176.094 -0.020 0.000 1.044 736 V CA 1.433 63.737 62.300 0.006 0.000 1.036 736 V CB -0.654 31.175 31.823 0.010 0.000 0.664 736 V HN 0.316 nan 8.190 nan 0.000 0.453 737 N N 0.966 119.634 118.700 -0.054 0.000 2.223 737 N HA -0.223 4.517 4.740 -0.000 0.000 0.185 737 N C 1.820 177.280 175.510 -0.083 0.000 1.016 737 N CA 1.486 54.489 53.050 -0.078 0.000 0.863 737 N CB -0.331 38.081 38.487 -0.125 0.000 0.983 737 N HN 0.508 nan 8.380 nan 0.000 0.429 738 N N 0.522 119.143 118.700 -0.131 0.000 2.069 738 N HA -0.185 4.555 4.740 -0.000 0.000 0.191 738 N C 1.732 177.308 175.510 0.110 0.000 1.031 738 N CA 1.103 54.126 53.050 -0.044 0.000 0.852 738 N CB -0.370 38.096 38.487 -0.036 0.000 1.018 738 N HN 0.340 nan 8.380 nan 0.000 0.423 739 L N 1.523 122.757 121.223 0.018 0.000 2.046 739 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 739 L C 2.439 179.296 176.870 -0.022 0.000 1.077 739 L CA 1.567 56.362 54.840 -0.075 0.000 0.747 739 L CB -0.781 41.230 42.059 -0.080 0.000 0.896 739 L HN 0.247 nan 8.230 nan 0.000 0.432 740 V N -3.902 116.039 119.914 0.044 0.000 3.129 740 V HA 0.185 4.305 4.120 -0.000 0.000 0.259 740 V C 1.019 177.197 176.094 0.140 0.000 1.116 740 V CA 0.518 62.862 62.300 0.074 0.000 1.127 740 V CB -0.687 31.158 31.823 0.037 0.000 0.742 740 V HN 0.356 nan 8.190 nan 0.000 0.474 741 S N 1.791 117.596 115.700 0.174 0.000 2.690 741 S HA 0.607 5.077 4.470 -0.000 0.000 0.291 741 S C -2.598 172.151 174.600 0.248 0.000 1.138 741 S CA -0.997 57.307 58.200 0.175 0.000 1.013 741 S CB 1.429 64.680 63.200 0.086 0.000 1.053 741 S HN 0.344 nan 8.310 nan 0.000 0.539 742 P HA 0.177 nan 4.420 nan 0.000 0.272 742 P C -0.996 176.321 177.300 0.028 0.000 1.240 742 P CA -0.370 62.856 63.100 0.210 0.000 0.791 742 P CB 0.308 32.214 31.700 0.343 0.000 0.978 743 V N 2.737 122.616 119.914 -0.059 0.000 2.318 743 V HA 0.149 4.268 4.120 -0.000 0.000 0.271 743 V C 0.764 176.842 176.094 -0.028 0.000 1.030 743 V CA -0.214 61.979 62.300 -0.179 0.000 0.844 743 V CB 0.153 31.682 31.823 -0.491 0.000 1.015 743 V HN 0.317 nan 8.190 nan 0.000 0.460 744 L N 5.227 126.451 121.223 0.001 0.000 2.536 744 L HA 0.251 4.591 4.340 -0.000 0.000 0.242 744 L C 1.145 178.069 176.870 0.090 0.000 1.280 744 L CA -0.043 54.802 54.840 0.008 0.000 1.221 744 L CB -0.524 41.526 42.059 -0.015 0.000 1.449 744 L HN 0.552 nan 8.230 nan 0.000 0.405 745 F N 1.084 120.998 119.950 -0.059 0.000 2.074 745 F HA -0.191 4.335 4.527 -0.000 0.000 0.293 745 F C 2.579 178.372 175.800 -0.011 0.000 1.116 745 F CA 1.679 59.684 58.000 0.009 0.000 1.212 745 F CB 0.026 39.085 39.000 0.098 0.000 0.998 745 F HN 0.408 nan 8.300 nan 0.000 0.471 746 Q N 0.684 120.431 119.800 -0.088 0.000 2.152 746 Q HA -0.266 4.074 4.340 -0.000 0.000 0.206 746 Q C 1.887 177.773 176.000 -0.189 0.000 0.985 746 Q CA 2.195 57.841 55.803 -0.262 0.000 0.863 746 Q CB -0.238 28.157 28.738 -0.572 0.000 0.904 746 Q HN 0.496 nan 8.270 nan 0.000 0.422 747 E N 0.302 120.408 120.200 -0.157 0.000 2.085 747 E HA -0.144 4.206 4.350 -0.000 0.000 0.194 747 E C 1.837 178.537 176.600 0.168 0.000 0.994 747 E CA 1.578 57.962 56.400 -0.028 0.000 0.801 747 E CB -0.361 29.314 29.700 -0.042 0.000 0.743 747 E HN 0.487 nan 8.360 nan 0.000 0.453 748 A N 0.568 123.464 122.820 0.126 0.000 1.897 748 A HA -0.101 4.219 4.320 -0.000 0.000 0.215 748 A C 2.159 179.832 177.584 0.148 0.000 1.181 748 A CA 0.922 53.092 52.037 0.221 0.000 0.620 748 A CB -0.659 18.426 19.000 0.141 0.000 0.821 748 A HN 0.195 nan 8.150 nan 0.000 0.443 749 L N -2.223 118.932 121.223 -0.113 0.000 2.189 749 L HA -0.244 4.096 4.340 -0.000 0.000 0.214 749 L C 2.440 179.257 176.870 -0.087 0.000 1.097 749 L CA 1.667 56.385 54.840 -0.204 0.000 0.764 749 L CB -0.495 41.385 42.059 -0.298 0.000 0.900 749 L HN 0.808 nan 8.230 nan 0.000 0.436 750 W N 0.488 121.713 121.300 -0.125 0.000 2.425 750 W HA -0.176 4.484 4.660 -0.000 0.000 0.277 750 W C 2.175 178.567 176.519 -0.210 0.000 1.231 750 W CA 1.286 58.532 57.345 -0.166 0.000 1.248 750 W CB -0.111 29.246 29.460 -0.172 0.000 1.117 750 W HN 0.199 nan 8.180 nan 0.000 0.568 751 H N -0.750 118.322 119.070 0.002 0.000 2.551 751 H HA 0.094 4.650 4.556 -0.000 0.000 0.266 751 H C 0.490 175.590 175.328 -0.381 0.000 0.977 751 H CA 0.596 56.564 56.048 -0.133 0.000 1.163 751 H CB -0.573 29.338 29.762 0.249 0.000 1.381 751 H HN -0.235 nan 8.280 nan 0.000 0.581 752 V N 4.878 124.489 119.914 -0.506 0.000 2.485 752 V HA 0.050 4.170 4.120 -0.000 0.000 0.287 752 V C -1.641 174.103 176.094 -0.584 0.000 1.022 752 V CA -1.451 60.312 62.300 -0.894 0.000 1.067 752 V CB 0.721 31.927 31.823 -1.030 0.000 0.967 752 V HN 0.199 nan 8.190 nan 0.000 0.479 753 P HA 0.123 nan 4.420 nan 0.000 0.273 753 P C -0.055 177.082 177.300 -0.271 0.000 1.250 753 P CA -0.423 62.522 63.100 -0.258 0.000 0.793 753 P CB 0.692 32.352 31.700 -0.067 0.000 1.011 754 E N 0.183 120.227 120.200 -0.260 0.000 2.404 754 E HA -0.041 4.309 4.350 -0.000 0.000 0.261 754 E C 0.415 176.856 176.600 -0.265 0.000 1.074 754 E CA 0.202 56.378 56.400 -0.374 0.000 0.917 754 E CB -0.122 29.279 29.700 -0.498 0.000 0.965 754 E HN 0.562 nan 8.360 nan 0.000 0.433 755 H N -2.219 116.805 119.070 -0.078 0.000 3.047 755 H HA -0.197 4.359 4.556 -0.000 0.000 0.263 755 H C 0.145 175.457 175.328 -0.028 0.000 1.168 755 H CA 0.774 56.793 56.048 -0.048 0.000 1.152 755 H CB -2.028 27.712 29.762 -0.037 0.000 1.278 755 H HN 0.556 nan 8.280 nan 0.000 0.339 756 A N 0.782 123.614 122.820 0.020 0.000 2.466 756 A HA 0.438 4.757 4.320 -0.000 0.000 0.238 756 A C 0.741 178.369 177.584 0.075 0.000 1.074 756 A CA 0.221 52.289 52.037 0.052 0.000 0.774 756 A CB 0.711 19.643 19.000 -0.113 0.000 1.015 756 A HN 0.132 nan 8.150 nan 0.000 0.498 757 V N 3.026 123.023 119.914 0.138 0.000 2.347 757 V HA 0.359 4.479 4.120 -0.000 0.000 0.280 757 V C -0.309 175.894 176.094 0.182 0.000 1.021 757 V CA -0.353 62.018 62.300 0.119 0.000 0.847 757 V CB 1.186 33.066 31.823 0.095 0.000 0.990 757 V HN 0.591 nan 8.190 nan 0.000 0.444 758 V N 6.988 126.987 119.914 0.141 0.000 2.384 758 V HA 0.478 4.598 4.120 -0.000 0.000 0.287 758 V C -0.159 176.025 176.094 0.151 0.000 1.020 758 V CA -0.490 61.924 62.300 0.190 0.000 0.850 758 V CB 1.622 33.521 31.823 0.128 0.000 0.987 758 V HN 0.627 nan 8.190 nan 0.000 0.436 759 L N 4.025 125.363 121.223 0.190 0.000 2.295 759 L HA 0.542 4.882 4.340 -0.000 0.000 0.285 759 L C 0.328 177.249 176.870 0.085 0.000 1.035 759 L CA -0.327 54.565 54.840 0.086 0.000 0.806 759 L CB 1.739 43.795 42.059 -0.005 0.000 1.214 759 L HN 0.638 nan 8.230 nan 0.000 0.426 760 E N 4.102 124.339 120.200 0.062 0.000 2.105 760 E HA 0.206 4.556 4.350 -0.000 0.000 0.285 760 E C -0.687 175.937 176.600 0.040 0.000 1.055 760 E CA -0.733 55.709 56.400 0.071 0.000 0.843 760 E CB 0.761 30.500 29.700 0.065 0.000 1.067 760 E HN 0.354 nan 8.360 nan 0.000 0.398 761 I N 4.169 124.756 120.570 0.028 0.000 2.278 761 I HA 0.370 4.540 4.170 -0.000 0.000 0.296 761 I C 0.123 176.263 176.117 0.040 0.000 1.121 761 I CA 0.060 61.362 61.300 0.004 0.000 1.267 761 I CB -0.513 37.463 38.000 -0.039 0.000 1.447 761 I HN 0.466 nan 8.210 nan 0.000 0.509 762 A N 8.903 131.760 122.820 0.062 0.000 2.583 762 A HA 0.656 4.975 4.320 -0.000 0.000 0.292 762 A C -2.392 175.266 177.584 0.123 0.000 1.045 762 A CA -0.665 51.416 52.037 0.072 0.000 0.672 762 A CB 1.355 20.382 19.000 0.046 0.000 1.283 762 A HN 0.309 nan 8.150 nan 0.000 0.419 763 P HA 0.018 nan 4.420 nan 0.000 0.233 763 P C -0.001 177.600 177.300 0.501 0.000 1.167 763 P CA 1.497 64.747 63.100 0.251 0.000 0.770 763 P CB -0.013 31.750 31.700 0.104 0.000 0.837 764 H N -0.510 118.696 119.070 0.227 0.000 3.042 764 H HA 0.563 5.119 4.556 -0.000 0.000 0.345 764 H C -1.113 174.255 175.328 0.067 0.000 1.052 764 H CA -0.899 55.223 56.048 0.123 0.000 1.311 764 H CB 0.943 30.762 29.762 0.096 0.000 1.810 764 H HN -0.161 nan 8.280 nan 0.000 0.505 765 A N 5.436 127.982 122.820 -0.457 0.000 3.026 765 A HA 0.150 4.470 4.320 -0.000 0.000 0.272 765 A C 1.169 178.444 177.584 -0.514 0.000 1.782 765 A CA -0.195 51.642 52.037 -0.333 0.000 1.451 765 A CB -0.996 17.947 19.000 -0.095 0.000 1.081 765 A HN 0.742 nan 8.150 nan 0.000 0.611 766 L N 1.939 122.892 121.223 -0.450 0.000 2.109 766 L HA -0.006 4.334 4.340 -0.000 0.000 0.207 766 L C 1.799 178.593 176.870 -0.127 0.000 1.086 766 L CA 1.691 56.379 54.840 -0.254 0.000 0.760 766 L CB -0.180 41.828 42.059 -0.084 0.000 0.910 766 L HN 0.640 nan 8.230 nan 0.000 0.437 767 L N -0.683 120.474 121.223 -0.110 0.000 2.599 767 L HA -0.017 4.322 4.340 -0.000 0.000 0.230 767 L C 2.201 179.084 176.870 0.021 0.000 1.141 767 L CA -0.197 54.617 54.840 -0.044 0.000 0.877 767 L CB -0.556 41.477 42.059 -0.043 0.000 1.009 767 L HN 0.331 nan 8.230 nan 0.000 0.447 768 Q N 0.749 120.545 119.800 -0.007 0.000 2.062 768 Q HA -0.262 4.078 4.340 -0.000 0.000 0.209 768 Q C 2.469 178.487 176.000 0.031 0.000 0.996 768 Q CA 2.191 58.006 55.803 0.020 0.000 0.859 768 Q CB -0.376 28.368 28.738 0.010 0.000 0.920 768 Q HN 0.583 nan 8.270 nan 0.000 0.415 769 A N 0.281 123.111 122.820 0.017 0.000 1.898 769 A HA -0.102 4.217 4.320 -0.000 0.000 0.216 769 A C 2.489 180.095 177.584 0.036 0.000 1.181 769 A CA 1.455 53.501 52.037 0.015 0.000 0.620 769 A CB -0.674 18.320 19.000 -0.010 0.000 0.819 769 A HN 0.212 nan 8.150 nan 0.000 0.442 770 V N 0.100 120.051 119.914 0.062 0.000 2.343 770 V HA -0.266 3.854 4.120 -0.000 0.000 0.247 770 V C 2.570 178.749 176.094 0.141 0.000 1.051 770 V CA 1.986 64.357 62.300 0.119 0.000 1.036 770 V CB -0.685 31.238 31.823 0.167 0.000 0.654 770 V HN 0.573 nan 8.190 nan 0.000 0.451 771 L N -0.794 120.515 121.223 0.142 0.000 2.017 771 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 771 L C 2.595 179.488 176.870 0.039 0.000 1.073 771 L CA 1.645 56.551 54.840 0.111 0.000 0.745 771 L CB -0.495 41.633 42.059 0.117 0.000 0.894 771 L HN 0.233 nan 8.230 nan 0.000 0.432 772 K N -0.243 120.176 120.400 0.033 0.000 2.063 772 K HA -0.231 4.089 4.320 -0.000 0.000 0.208 772 K C 2.172 178.773 176.600 0.002 0.000 1.048 772 K CA 1.342 57.635 56.287 0.010 0.000 0.928 772 K CB -0.176 32.331 32.500 0.011 0.000 0.713 772 K HN -0.012 nan 8.250 nan 0.000 0.442 773 R N -0.035 120.476 120.500 0.017 0.000 2.075 773 R HA -0.029 4.311 4.340 -0.000 0.000 0.232 773 R C 1.963 178.268 176.300 0.008 0.000 1.126 773 R CA 1.994 58.104 56.100 0.017 0.000 0.963 773 R CB -0.870 29.450 30.300 0.033 0.000 0.858 773 R HN 0.266 nan 8.270 nan 0.000 0.435 774 G N -0.633 108.172 108.800 0.007 0.000 2.880 774 G HA2 0.162 4.122 3.960 -0.000 0.000 0.209 774 G HA3 0.162 4.122 3.960 -0.000 0.000 0.209 774 G C 0.205 175.064 174.900 -0.070 0.000 1.157 774 G CA -0.131 44.957 45.100 -0.021 0.000 0.779 774 G HN 0.167 nan 8.290 nan 0.000 0.539 775 L N 0.152 121.326 121.223 -0.082 0.000 2.352 775 L HA 0.405 4.745 4.340 -0.000 0.000 0.269 775 L C 0.123 176.911 176.870 -0.137 0.000 1.034 775 L CA -1.056 53.700 54.840 -0.141 0.000 0.806 775 L CB 1.662 43.639 42.059 -0.135 0.000 1.244 775 L HN -0.057 nan 8.230 nan 0.000 0.447 776 K N 1.689 121.974 120.400 -0.193 0.000 2.469 776 K HA 0.030 4.350 4.320 -0.000 0.000 0.274 776 K C -1.724 174.793 176.600 -0.137 0.000 0.983 776 K CA -1.045 55.133 56.287 -0.182 0.000 0.974 776 K CB 0.254 32.605 32.500 -0.249 0.000 0.913 776 K HN 0.286 nan 8.250 nan 0.000 0.493 777 P HA -0.127 nan 4.420 nan 0.000 0.230 777 P C 0.657 177.917 177.300 -0.067 0.000 1.158 777 P CA 0.932 63.989 63.100 -0.072 0.000 0.769 777 P CB 0.216 31.884 31.700 -0.054 0.000 0.807 778 S N -2.754 112.879 115.700 -0.112 0.000 2.603 778 S HA 0.010 4.480 4.470 -0.000 0.000 0.220 778 S C 0.753 175.333 174.600 -0.033 0.000 0.967 778 S CA -0.295 57.858 58.200 -0.079 0.000 0.920 778 S CB -1.348 61.680 63.200 -0.287 0.000 0.773 778 S HN 0.017 nan 8.310 nan 0.000 0.529 779 C N 2.484 121.742 119.300 -0.070 0.000 2.536 779 C HA 0.582 5.041 4.460 -0.000 0.000 0.396 779 C C 0.798 175.782 174.990 -0.010 0.000 1.279 779 C CA -0.473 58.515 59.018 -0.049 0.000 2.148 779 C CB 0.392 28.074 27.740 -0.097 0.000 2.584 779 C HN 0.420 nan 8.230 nan 0.000 0.579 780 T N 3.945 118.506 114.554 0.011 0.000 2.758 780 T HA 0.494 4.844 4.350 -0.000 0.000 0.285 780 T C -0.300 174.414 174.700 0.023 0.000 0.981 780 T CA 0.040 62.150 62.100 0.017 0.000 0.965 780 T CB 0.304 69.184 68.868 0.020 0.000 0.927 780 T HN 0.397 nan 8.240 nan 0.000 0.448 781 I N 4.502 125.084 120.570 0.019 0.000 2.339 781 I HA 0.464 4.634 4.170 -0.000 0.000 0.290 781 I C -0.356 175.774 176.117 0.021 0.000 0.994 781 I CA -0.550 60.767 61.300 0.030 0.000 1.191 781 I CB 1.058 39.077 38.000 0.031 0.000 1.343 781 I HN 0.461 nan 8.210 nan 0.000 0.458 782 I N 8.592 129.174 120.570 0.020 0.000 2.418 782 I HA 0.381 4.551 4.170 -0.000 0.000 0.287 782 I C -2.374 173.745 176.117 0.003 0.000 1.008 782 I CA -1.976 59.314 61.300 -0.017 0.000 1.104 782 I CB 2.073 40.037 38.000 -0.060 0.000 1.264 782 I HN 0.296 nan 8.210 nan 0.000 0.438 783 P HA 0.272 nan 4.420 nan 0.000 0.282 783 P C -0.047 177.342 177.300 0.148 0.000 1.249 783 P CA -0.307 62.873 63.100 0.133 0.000 0.806 783 P CB 1.954 33.816 31.700 0.270 0.000 0.984 784 L N 0.888 122.244 121.223 0.223 0.000 2.672 784 L HA 0.349 4.689 4.340 -0.000 0.000 0.236 784 L C 1.075 178.231 176.870 0.476 0.000 1.092 784 L CA 0.578 55.569 54.840 0.253 0.000 0.887 784 L CB 0.126 42.327 42.059 0.236 0.000 1.168 784 L HN 0.356 nan 8.230 nan 0.000 0.502 785 M N -0.525 119.322 119.600 0.412 0.000 2.520 785 M HA 0.368 4.848 4.480 -0.000 0.000 0.283 785 M C -1.273 175.005 176.300 -0.036 0.000 1.237 785 M CA -0.422 55.022 55.300 0.239 0.000 0.885 785 M CB 3.585 36.323 32.600 0.230 0.000 1.727 785 M HN -0.241 nan 8.290 nan 0.000 0.468 786 K N 2.092 122.294 120.400 -0.330 0.000 2.443 786 K HA 0.370 4.689 4.320 -0.000 0.000 0.252 786 K C -1.191 175.141 176.600 -0.447 0.000 0.933 786 K CA -0.658 55.411 56.287 -0.363 0.000 0.792 786 K CB 2.354 34.343 32.500 -0.852 0.000 1.185 786 K HN 0.725 nan 8.250 nan 0.000 0.425 787 K N 3.267 123.279 120.400 -0.646 0.000 2.491 787 K HA -0.121 4.199 4.320 -0.000 0.000 0.279 787 K C -0.578 175.229 176.600 -1.322 0.000 1.026 787 K CA 0.956 56.217 56.287 -1.710 0.000 1.070 787 K CB 0.217 31.784 32.500 -1.555 0.000 0.887 787 K HN 0.643 nan 8.250 nan 0.000 0.481 788 D N 1.143 120.482 120.400 -1.769 0.000 3.079 788 D HA -0.235 4.405 4.640 -0.000 0.000 0.214 788 D C -0.214 175.866 176.300 -0.368 0.000 1.145 788 D CA 0.927 54.495 54.000 -0.720 0.000 0.958 788 D CB -1.256 39.291 40.800 -0.422 0.000 1.117 788 D HN 0.708 nan 8.370 nan 0.000 0.416 789 H N 0.833 119.634 119.070 -0.448 0.000 2.871 789 H HA 0.067 4.623 4.556 -0.000 0.000 0.355 789 H C 1.512 176.802 175.328 -0.063 0.000 1.092 789 H CA 0.760 56.673 56.048 -0.225 0.000 1.420 789 H CB 0.834 30.449 29.762 -0.244 0.000 1.400 789 H HN -0.063 nan 8.280 nan 0.000 0.604 790 R N 1.762 122.123 120.500 -0.231 0.000 2.091 790 R HA -0.064 4.276 4.340 -0.000 0.000 0.238 790 R C 0.201 176.626 176.300 0.208 0.000 1.136 790 R CA 1.482 57.571 56.100 -0.018 0.000 0.959 790 R CB 0.088 30.326 30.300 -0.103 0.000 0.856 790 R HN 0.463 nan 8.270 nan 0.000 0.437 791 D N -0.860 119.857 120.400 0.529 0.000 2.337 791 D HA 0.159 4.799 4.640 -0.000 0.000 0.238 791 D C -0.409 176.060 176.300 0.281 0.000 1.331 791 D CA -0.301 53.914 54.000 0.358 0.000 0.967 791 D CB 0.078 41.031 40.800 0.255 0.000 1.382 791 D HN -0.167 nan 8.370 nan 0.000 0.549 792 N N 1.936 120.736 118.700 0.167 0.000 2.364 792 N HA -0.114 4.626 4.740 -0.000 0.000 0.183 792 N C 1.674 177.243 175.510 0.099 0.000 1.022 792 N CA 0.270 53.347 53.050 0.045 0.000 0.883 792 N CB 0.222 38.768 38.487 0.098 0.000 0.965 792 N HN 0.431 nan 8.380 nan 0.000 0.438 793 L N 1.771 123.047 121.223 0.087 0.000 2.046 793 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 793 L C 1.821 178.805 176.870 0.191 0.000 1.077 793 L CA 1.710 56.614 54.840 0.108 0.000 0.747 793 L CB -0.526 41.587 42.059 0.090 0.000 0.896 793 L HN 0.089 nan 8.230 nan 0.000 0.432 794 E N -1.368 118.935 120.200 0.172 0.000 2.072 794 E HA -0.242 4.108 4.350 -0.000 0.000 0.191 794 E C 2.060 178.732 176.600 0.121 0.000 0.985 794 E CA 1.365 57.865 56.400 0.166 0.000 0.801 794 E CB -0.313 29.509 29.700 0.203 0.000 0.750 794 E HN 0.502 nan 8.360 nan 0.000 0.452 795 F N 0.613 120.492 119.950 -0.118 0.000 2.171 795 F HA -0.196 4.331 4.527 -0.000 0.000 0.300 795 F C 1.986 177.742 175.800 -0.074 0.000 1.090 795 F CA 1.195 59.075 58.000 -0.200 0.000 1.293 795 F CB -0.148 38.526 39.000 -0.544 0.000 1.013 795 F HN -0.017 nan 8.300 nan 0.000 0.486 796 F N 0.448 120.397 119.950 -0.001 0.000 2.146 796 F HA -0.153 4.374 4.527 -0.000 0.000 0.298 796 F C 1.851 177.571 175.800 -0.134 0.000 1.096 796 F CA 1.649 59.608 58.000 -0.068 0.000 1.275 796 F CB -0.550 38.416 39.000 -0.056 0.000 1.008 796 F HN -0.086 nan 8.300 nan 0.000 0.480 797 L N 0.019 121.213 121.223 -0.049 0.000 2.083 797 L HA -0.171 4.169 4.340 -0.000 0.000 0.209 797 L C 2.780 179.461 176.870 -0.315 0.000 1.083 797 L CA 1.065 55.824 54.840 -0.134 0.000 0.752 797 L CB -1.147 40.965 42.059 0.088 0.000 0.899 797 L HN 0.270 nan 8.230 nan 0.000 0.433 798 A N 0.236 122.878 122.820 -0.296 0.000 1.969 798 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 798 A C 2.391 179.615 177.584 -0.601 0.000 1.169 798 A CA 1.546 53.345 52.037 -0.397 0.000 0.635 798 A CB -1.043 17.834 19.000 -0.204 0.000 0.810 798 A HN 0.435 nan 8.150 nan 0.000 0.445 799 G N 0.037 108.479 108.800 -0.596 0.000 2.408 799 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.217 799 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.217 799 G C 1.325 175.916 174.900 -0.515 0.000 1.150 799 G CA 1.070 45.845 45.100 -0.541 0.000 0.776 799 G HN 0.361 nan 8.290 nan 0.000 0.542 800 I N 1.962 122.169 120.570 -0.605 0.000 2.315 800 I HA -0.039 4.131 4.170 -0.000 0.000 0.248 800 I C 2.978 178.856 176.117 -0.399 0.000 1.117 800 I CA 1.061 62.079 61.300 -0.469 0.000 1.404 800 I CB -1.564 36.167 38.000 -0.449 0.000 1.071 800 I HN 0.208 nan 8.210 nan 0.000 0.419 801 G N 0.897 109.312 108.800 -0.642 0.000 2.418 801 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.217 801 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.217 801 G C 1.872 176.406 174.900 -0.610 0.000 1.158 801 G CA 0.234 44.771 45.100 -0.939 0.000 0.771 801 G HN 0.308 nan 8.290 nan 0.000 0.545 802 R N -0.741 119.421 120.500 -0.563 0.000 2.115 802 R HA 0.041 4.381 4.340 -0.000 0.000 0.230 802 R C 2.385 178.621 176.300 -0.107 0.000 1.111 802 R CA 0.515 56.507 56.100 -0.181 0.000 0.976 802 R CB -0.424 29.775 30.300 -0.168 0.000 0.870 802 R HN 0.294 nan 8.270 nan 0.000 0.445 803 L N 0.302 121.438 121.223 -0.145 0.000 2.017 803 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 803 L C 2.261 179.126 176.870 -0.010 0.000 1.073 803 L CA 1.973 56.771 54.840 -0.070 0.000 0.745 803 L CB -0.929 41.077 42.059 -0.088 0.000 0.894 803 L HN 0.159 nan 8.230 nan 0.000 0.432 804 H N -0.717 118.294 119.070 -0.098 0.000 2.319 804 H HA -0.158 4.398 4.556 -0.000 0.000 0.299 804 H C 2.125 177.449 175.328 -0.006 0.000 1.092 804 H CA 2.087 58.110 56.048 -0.041 0.000 1.302 804 H CB -0.246 29.499 29.762 -0.029 0.000 1.373 804 H HN 0.327 nan 8.280 nan 0.000 0.497 805 L N -0.079 121.132 121.223 -0.020 0.000 2.187 805 L HA -0.152 4.188 4.340 -0.000 0.000 0.213 805 L C 2.504 179.317 176.870 -0.095 0.000 1.100 805 L CA 1.442 56.250 54.840 -0.054 0.000 0.765 805 L CB -0.626 41.473 42.059 0.067 0.000 0.904 805 L HN 0.429 nan 8.230 nan 0.000 0.437 806 S N -0.652 115.003 115.700 -0.074 0.000 2.522 806 S HA 0.079 4.549 4.470 -0.000 0.000 0.227 806 S C 1.522 176.074 174.600 -0.080 0.000 0.986 806 S CA 0.633 58.798 58.200 -0.059 0.000 0.929 806 S CB 0.368 63.552 63.200 -0.026 0.000 0.769 806 S HN 0.576 nan 8.310 nan 0.000 0.529 807 G N 0.548 109.276 108.800 -0.121 0.000 2.179 807 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.220 807 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.220 807 G C -0.065 174.797 174.900 -0.063 0.000 0.990 807 G CA -0.020 45.012 45.100 -0.114 0.000 0.646 807 G HN 0.478 nan 8.290 nan 0.000 0.517 808 I N 1.502 122.051 120.570 -0.035 0.000 2.440 808 I HA 0.376 4.546 4.170 -0.000 0.000 0.294 808 I C -0.620 175.526 176.117 0.048 0.000 0.995 808 I CA -0.589 60.717 61.300 0.009 0.000 1.306 808 I CB 1.249 39.264 38.000 0.024 0.000 1.407 808 I HN -0.079 nan 8.210 nan 0.000 0.501 809 D N 5.469 125.903 120.400 0.056 0.000 2.274 809 D HA 0.582 5.222 4.640 -0.000 0.000 0.239 809 D C -0.250 176.089 176.300 0.065 0.000 1.104 809 D CA -0.014 54.040 54.000 0.089 0.000 0.840 809 D CB 1.830 42.671 40.800 0.069 0.000 1.100 809 D HN 0.644 nan 8.370 nan 0.000 0.477 810 A N 2.934 125.793 122.820 0.065 0.000 2.530 810 A HA 0.256 4.576 4.320 -0.000 0.000 0.279 810 A C -0.591 176.998 177.584 0.009 0.000 1.109 810 A CA -0.872 51.184 52.037 0.031 0.000 0.763 810 A CB 0.685 19.693 19.000 0.013 0.000 1.257 810 A HN 0.308 nan 8.150 nan 0.000 0.424 811 N N 4.241 122.951 118.700 0.016 0.000 2.401 811 N HA 0.255 4.995 4.740 -0.000 0.000 0.255 811 N C -1.571 173.961 175.510 0.037 0.000 1.110 811 N CA -1.938 51.118 53.050 0.011 0.000 0.949 811 N CB 1.430 39.930 38.487 0.021 0.000 1.110 811 N HN 0.349 nan 8.380 nan 0.000 0.490 812 P HA -0.031 nan 4.420 nan 0.000 0.234 812 P C 0.505 177.935 177.300 0.216 0.000 1.167 812 P CA 0.509 63.684 63.100 0.125 0.000 0.763 812 P CB 0.546 32.331 31.700 0.141 0.000 0.835 813 N N 1.268 120.061 118.700 0.155 0.000 2.104 813 N HA -0.135 4.605 4.740 -0.000 0.000 0.190 813 N C 1.865 177.473 175.510 0.163 0.000 1.024 813 N CA 1.678 54.837 53.050 0.182 0.000 0.853 813 N CB -1.040 37.516 38.487 0.115 0.000 1.008 813 N HN 0.112 nan 8.380 nan 0.000 0.424 814 A N 0.426 123.302 122.820 0.093 0.000 2.125 814 A HA -0.043 4.276 4.320 -0.000 0.000 0.219 814 A C 2.128 179.704 177.584 -0.013 0.000 1.156 814 A CA 0.761 52.825 52.037 0.045 0.000 0.671 814 A CB -0.568 18.452 19.000 0.034 0.000 0.794 814 A HN 0.267 nan 8.150 nan 0.000 0.459 815 L N -2.122 119.059 121.223 -0.070 0.000 2.418 815 L HA 0.127 4.467 4.340 -0.000 0.000 0.218 815 L C 0.126 176.641 176.870 -0.591 0.000 1.125 815 L CA 0.087 54.717 54.840 -0.350 0.000 0.835 815 L CB -0.139 41.597 42.059 -0.538 0.000 0.953 815 L HN 0.314 nan 8.230 nan 0.000 0.454 816 F N -1.157 118.784 119.950 -0.014 0.000 2.594 816 F HA 0.482 5.008 4.527 -0.000 0.000 0.335 816 F C -2.045 173.673 175.800 -0.137 0.000 1.058 816 F CA -2.959 54.997 58.000 -0.073 0.000 0.981 816 F CB -0.037 38.931 39.000 -0.054 0.000 1.289 816 F HN -0.389 nan 8.300 nan 0.000 0.490 817 P HA 0.132 nan 4.420 nan 0.000 0.265 817 P C -2.542 174.701 177.300 -0.096 0.000 1.193 817 P CA -0.736 62.262 63.100 -0.169 0.000 0.765 817 P CB -0.266 31.185 31.700 -0.415 0.000 0.823 818 P HA 0.004 nan 4.420 nan 0.000 0.264 818 P C -0.396 176.866 177.300 -0.064 0.000 1.193 818 P CA 0.120 63.214 63.100 -0.009 0.000 0.763 818 P CB 0.239 31.947 31.700 0.013 0.000 0.810 819 V N 3.376 123.229 119.914 -0.102 0.000 2.715 819 V HA 0.009 4.128 4.120 -0.000 0.000 0.299 819 V C 0.962 176.795 176.094 -0.436 0.000 1.054 819 V CA 0.130 62.261 62.300 -0.282 0.000 1.077 819 V CB 0.329 31.911 31.823 -0.401 0.000 0.972 819 V HN 0.522 nan 8.190 nan 0.000 0.484 820 E N 2.396 122.359 120.200 -0.395 0.000 2.313 820 E HA 0.451 4.801 4.350 -0.000 0.000 0.276 820 E C -1.147 175.142 176.600 -0.517 0.000 1.031 820 E CA 0.038 56.256 56.400 -0.302 0.000 0.857 820 E CB 0.666 30.276 29.700 -0.151 0.000 1.040 820 E HN 0.398 nan 8.360 nan 0.000 0.408 821 F N 3.661 123.605 119.950 -0.010 0.000 2.508 821 F HA 0.425 4.952 4.527 -0.000 0.000 0.325 821 F C -1.673 174.114 175.800 -0.021 0.000 1.090 821 F CA -2.205 55.783 58.000 -0.020 0.000 0.945 821 F CB 1.162 40.149 39.000 -0.022 0.000 1.156 821 F HN 0.369 nan 8.300 nan 0.000 0.463 822 P HA 0.358 nan 4.420 nan 0.000 0.274 822 P C -0.843 176.553 177.300 0.159 0.000 1.231 822 P CA -0.438 62.793 63.100 0.219 0.000 0.790 822 P CB 0.834 32.582 31.700 0.081 0.000 0.951 823 A N 3.921 126.901 122.820 0.266 0.000 2.507 823 A HA 0.303 4.623 4.320 -0.000 0.000 0.235 823 A C -2.033 175.543 177.584 -0.014 0.000 1.070 823 A CA -0.767 51.328 52.037 0.098 0.000 0.768 823 A CB -1.523 17.573 19.000 0.161 0.000 1.011 823 A HN 0.432 nan 8.150 nan 0.000 0.502 824 P HA 0.120 nan 4.420 nan 0.000 0.269 824 P C -0.025 177.222 177.300 -0.089 0.000 1.215 824 P CA -0.237 62.821 63.100 -0.070 0.000 0.780 824 P CB 0.400 32.054 31.700 -0.076 0.000 0.898 825 R N 1.737 122.181 120.500 -0.092 0.000 2.623 825 R HA 0.247 4.587 4.340 -0.000 0.000 0.271 825 R C 1.107 177.320 176.300 -0.145 0.000 1.043 825 R CA 1.243 57.275 56.100 -0.114 0.000 1.083 825 R CB -0.752 29.486 30.300 -0.103 0.000 0.974 825 R HN 0.819 nan 8.270 nan 0.000 0.436 826 G N 2.154 110.842 108.800 -0.187 0.000 2.195 826 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.246 826 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.246 826 G C 0.118 174.868 174.900 -0.250 0.000 0.984 826 G CA 0.311 45.263 45.100 -0.246 0.000 0.633 826 G HN 0.683 nan 8.290 nan 0.000 0.525 827 T N 3.808 118.245 114.554 -0.195 0.000 2.866 827 T HA 0.397 4.747 4.350 -0.000 0.000 0.293 827 T C -1.751 172.787 174.700 -0.269 0.000 1.005 827 T CA 0.190 62.174 62.100 -0.193 0.000 1.162 827 T CB 0.975 69.800 68.868 -0.070 0.000 0.968 827 T HN 0.200 nan 8.240 nan 0.000 0.530 828 P HA 0.056 nan 4.420 nan 0.000 0.265 828 P C 0.128 177.317 177.300 -0.186 0.000 1.187 828 P CA -0.171 62.595 63.100 -0.557 0.000 0.766 828 P CB 0.316 31.241 31.700 -1.292 0.000 0.820 829 L N 3.121 124.308 121.223 -0.061 0.000 2.506 829 L HA 0.026 4.366 4.340 -0.000 0.000 0.281 829 L C 1.714 178.702 176.870 0.197 0.000 1.228 829 L CA 0.376 55.282 54.840 0.111 0.000 0.850 829 L CB -0.093 42.041 42.059 0.124 0.000 1.110 829 L HN 0.446 nan 8.230 nan 0.000 0.496 830 I N 0.284 120.986 120.570 0.221 0.000 3.445 830 I HA -0.134 4.036 4.170 -0.000 0.000 0.288 830 I C 2.372 178.592 176.117 0.172 0.000 1.198 830 I CA 0.780 62.210 61.300 0.216 0.000 1.417 830 I CB 0.263 38.356 38.000 0.155 0.000 1.205 830 I HN 0.880 nan 8.210 nan 0.000 0.448 831 S N 2.084 117.890 115.700 0.177 0.000 2.392 831 S HA -0.113 4.357 4.470 -0.000 0.000 0.232 831 S C -0.579 174.131 174.600 0.182 0.000 1.041 831 S CA 1.200 59.511 58.200 0.185 0.000 1.026 831 S CB -2.034 61.282 63.200 0.194 0.000 0.845 831 S HN 0.236 nan 8.310 nan 0.000 0.465 832 P HA 0.136 nan 4.420 nan 0.000 0.230 832 P C 1.038 178.421 177.300 0.139 0.000 1.158 832 P CA 0.633 63.832 63.100 0.165 0.000 0.769 832 P CB -0.182 31.617 31.700 0.165 0.000 0.807 833 L N -1.601 119.698 121.223 0.128 0.000 2.558 833 L HA 0.082 4.422 4.340 -0.000 0.000 0.225 833 L C 0.683 177.565 176.870 0.019 0.000 1.128 833 L CA -0.075 54.820 54.840 0.092 0.000 0.868 833 L CB -0.299 41.835 42.059 0.124 0.000 1.006 833 L HN -0.077 nan 8.230 nan 0.000 0.454 834 I N 1.675 122.251 120.570 0.010 0.000 2.396 834 I HA 0.144 4.314 4.170 -0.000 0.000 0.289 834 I C 0.230 176.198 176.117 -0.249 0.000 1.056 834 I CA 0.300 61.513 61.300 -0.145 0.000 1.365 834 I CB 0.507 38.456 38.000 -0.085 0.000 1.407 834 I HN 0.009 nan 8.210 nan 0.000 0.509 835 K N 5.472 125.622 120.400 -0.417 0.000 2.259 835 K HA 0.515 4.835 4.320 -0.000 0.000 0.249 835 K C -0.979 175.209 176.600 -0.687 0.000 0.942 835 K CA -0.505 55.560 56.287 -0.370 0.000 0.816 835 K CB 2.440 34.824 32.500 -0.193 0.000 1.155 835 K HN 0.410 nan 8.250 nan 0.000 0.428 836 W N -0.102 120.975 121.300 -0.371 0.000 2.894 836 W HA 0.217 4.877 4.660 -0.000 0.000 0.345 836 W C 0.133 176.414 176.519 -0.396 0.000 1.152 836 W CA -0.515 56.544 57.345 -0.477 0.000 1.089 836 W CB 0.637 29.656 29.460 -0.736 0.000 1.454 836 W HN 0.417 nan 8.180 nan 0.000 0.589 837 D N 0.677 121.099 120.400 0.036 0.000 2.453 837 D HA 0.068 4.708 4.640 -0.000 0.000 0.223 837 D C -0.317 176.109 176.300 0.209 0.000 1.183 837 D CA 0.261 54.304 54.000 0.072 0.000 0.933 837 D CB -0.175 40.684 40.800 0.098 0.000 1.038 837 D HN 0.478 nan 8.370 nan 0.000 0.513 838 H N 1.308 120.467 119.070 0.148 0.000 2.524 838 H HA 0.094 4.650 4.556 -0.000 0.000 0.297 838 H C 1.595 176.968 175.328 0.074 0.000 1.115 838 H CA -0.260 55.873 56.048 0.141 0.000 1.027 838 H CB 0.720 30.576 29.762 0.157 0.000 1.591 838 H HN 0.329 nan 8.280 nan 0.000 0.543 839 S N -0.008 115.785 115.700 0.156 0.000 2.395 839 S HA -0.012 4.458 4.470 -0.000 0.000 0.225 839 S C 0.918 175.503 174.600 -0.025 0.000 1.027 839 S CA 0.093 58.326 58.200 0.056 0.000 0.965 839 S CB 0.071 63.290 63.200 0.032 0.000 0.812 839 S HN 0.226 nan 8.310 nan 0.000 0.482 840 L N 1.796 122.966 121.223 -0.088 0.000 2.453 840 L HA 0.559 4.898 4.340 -0.000 0.000 0.261 840 L C 0.302 176.923 176.870 -0.416 0.000 1.179 840 L CA -0.469 54.166 54.840 -0.341 0.000 0.813 840 L CB 0.611 42.279 42.059 -0.653 0.000 1.110 840 L HN 0.332 nan 8.230 nan 0.000 0.466 841 A N 2.115 124.657 122.820 -0.464 0.000 2.273 841 A HA 0.535 4.855 4.320 -0.000 0.000 0.315 841 A C -1.400 175.977 177.584 -0.346 0.000 1.256 841 A CA -0.482 51.382 52.037 -0.288 0.000 0.851 841 A CB 0.264 19.198 19.000 -0.109 0.000 1.172 841 A HN 0.637 nan 8.150 nan 0.000 0.508 842 W N 1.014 122.344 121.300 0.050 0.000 2.359 842 W HA 0.414 5.074 4.660 -0.000 0.000 0.344 842 W C -0.239 176.394 176.519 0.190 0.000 1.170 842 W CA -0.311 57.062 57.345 0.047 0.000 1.296 842 W CB 0.656 30.069 29.460 -0.078 0.000 1.197 842 W HN 0.561 nan 8.180 nan 0.000 0.618 843 D N 0.916 121.740 120.400 0.706 0.000 2.488 843 D HA 0.182 4.822 4.640 -0.000 0.000 0.238 843 D C -0.518 175.921 176.300 0.232 0.000 1.138 843 D CA 0.492 54.715 54.000 0.372 0.000 0.873 843 D CB 0.758 41.748 40.800 0.317 0.000 1.183 843 D HN -0.055 nan 8.370 nan 0.000 0.458 844 V N 3.943 123.945 119.914 0.146 0.000 2.577 844 V HA 0.302 4.422 4.120 -0.000 0.000 0.303 844 V C -2.118 174.030 176.094 0.089 0.000 1.042 844 V CA -1.565 60.800 62.300 0.109 0.000 0.872 844 V CB 1.911 33.791 31.823 0.095 0.000 0.998 844 V HN 0.453 nan 8.190 nan 0.000 0.423 845 P HA 0.394 nan 4.420 nan 0.000 0.267 845 P C -0.501 176.857 177.300 0.097 0.000 1.200 845 P CA 0.091 63.220 63.100 0.048 0.000 0.772 845 P CB 0.581 32.315 31.700 0.056 0.000 0.855 846 A N 1.792 124.634 122.820 0.037 0.000 2.294 846 A HA 0.599 4.919 4.320 -0.000 0.000 0.330 846 A C 1.462 179.154 177.584 0.181 0.000 1.133 846 A CA -0.007 52.092 52.037 0.103 0.000 0.836 846 A CB 0.707 19.738 19.000 0.052 0.000 1.190 846 A HN 0.525 nan 8.150 nan 0.000 0.492 847 A N 0.404 123.393 122.820 0.282 0.000 1.948 847 A HA -0.208 4.112 4.320 -0.000 0.000 0.220 847 A C 1.662 179.419 177.584 0.289 0.000 1.177 847 A CA 2.074 54.344 52.037 0.389 0.000 0.636 847 A CB -0.816 18.393 19.000 0.349 0.000 0.815 847 A HN 0.969 nan 8.150 nan 0.000 0.449 848 E N -0.635 119.647 120.200 0.137 0.000 2.478 848 E HA -0.131 4.219 4.350 -0.000 0.000 0.198 848 E C 0.203 176.788 176.600 -0.026 0.000 1.046 848 E CA 0.867 57.309 56.400 0.069 0.000 0.870 848 E CB -0.265 29.459 29.700 0.041 0.000 0.818 848 E HN 0.461 nan 8.360 nan 0.000 0.527 849 D N 0.162 120.461 120.400 -0.168 0.000 2.363 849 D HA 0.059 4.699 4.640 -0.000 0.000 0.220 849 D C -0.431 175.535 176.300 -0.556 0.000 0.994 849 D CA 0.455 54.221 54.000 -0.390 0.000 0.890 849 D CB 0.002 40.488 40.800 -0.523 0.000 0.906 849 D HN 0.133 nan 8.370 nan 0.000 0.530 850 F N 0.438 120.409 119.950 0.036 0.000 2.470 850 F HA 0.391 4.918 4.527 -0.000 0.000 0.329 850 F C -1.750 174.059 175.800 0.015 0.000 1.072 850 F CA -2.885 55.129 58.000 0.023 0.000 0.989 850 F CB 0.249 39.265 39.000 0.027 0.000 1.193 850 F HN -0.336 nan 8.300 nan 0.000 0.481 851 P HA 0.094 nan 4.420 nan 0.000 0.266 851 P C -0.226 177.121 177.300 0.078 0.000 1.195 851 P CA 0.037 63.190 63.100 0.087 0.000 0.768 851 P CB 0.423 32.155 31.700 0.054 0.000 0.838 852 N N 0.725 119.457 118.700 0.054 0.000 2.194 852 N HA 0.191 4.931 4.740 -0.000 0.000 0.231 852 N C 0.678 176.184 175.510 -0.007 0.000 1.247 852 N CA 0.071 53.151 53.050 0.050 0.000 0.884 852 N CB -0.260 38.312 38.487 0.141 0.000 1.146 852 N HN 0.561 nan 8.380 nan 0.000 0.516 853 G N 0.000 108.789 108.800 -0.019 0.000 5.446 853 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 853 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 853 G CA 0.000 45.082 45.100 -0.030 0.000 0.502 853 G HN 0.000 nan 8.290 nan 0.000 0.925