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_D 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 DFPN 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 0.000 174.602 174.600 0.003 0.000 1.055 -1 S CA 0.000 58.207 58.200 0.011 0.000 1.107 -1 S CB 0.000 63.197 63.200 -0.004 0.000 0.593 0 T N 0.645 115.223 114.554 0.040 0.000 2.665 0 T HA 0.312 4.664 4.350 0.003 0.000 0.268 0 T C 1.204 175.848 174.700 -0.093 0.000 1.035 0 T CA 3.196 65.329 62.100 0.056 0.000 1.151 0 T CB -0.244 68.737 68.868 0.188 0.000 0.862 0 T HN 1.817 nan 8.240 nan 0.000 0.438 1 G N -0.537 108.156 108.800 -0.177 0.000 2.450 1 G HA2 0.454 4.416 3.960 0.003 0.000 0.273 1 G HA3 0.454 4.416 3.960 0.003 0.000 0.273 1 G C -1.694 173.055 174.900 -0.251 0.000 1.221 1 G CA -0.478 44.341 45.100 -0.469 0.000 0.900 1 G HN 0.260 nan 8.290 nan 0.000 0.483 2 E N 0.594 120.625 120.200 -0.282 0.000 2.331 2 E HA 0.465 4.816 4.350 0.003 0.000 0.272 2 E C -0.081 176.569 176.600 0.084 0.000 1.036 2 E CA -0.371 55.988 56.400 -0.068 0.000 0.864 2 E CB 1.278 30.930 29.700 -0.081 0.000 1.035 2 E HN 0.472 nan 8.360 nan 0.000 0.408 3 E N 2.362 122.610 120.200 0.080 0.000 2.316 3 E HA 0.272 4.624 4.350 0.003 0.000 0.275 3 E C -1.172 175.487 176.600 0.100 0.000 1.029 3 E CA -0.544 55.925 56.400 0.114 0.000 0.871 3 E CB 0.698 30.445 29.700 0.079 0.000 1.022 3 E HN 0.248 nan 8.360 nan 0.000 0.418 4 V N 6.036 126.035 119.914 0.143 0.000 2.417 4 V HA 0.372 4.493 4.120 0.003 0.000 0.291 4 V C -0.072 176.095 176.094 0.123 0.000 1.024 4 V CA -0.714 61.666 62.300 0.135 0.000 0.861 4 V CB 1.042 32.989 31.823 0.207 0.000 0.985 4 V HN 0.588 nan 8.190 nan 0.000 0.436 5 V N 2.956 122.921 119.914 0.085 0.000 2.864 5 V HA 0.664 4.786 4.120 0.003 0.000 0.314 5 V C -0.372 175.770 176.094 0.080 0.000 1.073 5 V CA -0.984 61.361 62.300 0.075 0.000 0.956 5 V CB 2.149 34.002 31.823 0.051 0.000 1.023 5 V HN 0.653 nan 8.190 nan 0.000 0.435 6 I N 3.259 123.890 120.570 0.102 0.000 2.322 6 I HA 0.462 4.633 4.170 0.003 0.000 0.292 6 I C 1.205 177.430 176.117 0.181 0.000 1.060 6 I CA 0.111 61.495 61.300 0.140 0.000 1.309 6 I CB 1.399 39.493 38.000 0.158 0.000 1.415 6 I HN 0.901 nan 8.210 nan 0.000 0.492 7 A N 5.134 128.031 122.820 0.128 0.000 2.220 7 A HA 0.582 4.903 4.320 0.003 0.000 0.211 7 A C 0.944 178.595 177.584 0.112 0.000 1.176 7 A CA 0.430 52.506 52.037 0.065 0.000 0.834 7 A CB 0.233 19.236 19.000 0.006 0.000 0.868 7 A HN 0.777 nan 8.150 nan 0.000 0.488 8 G N -0.669 108.281 108.800 0.250 0.000 2.616 8 G HA2 0.562 4.523 3.960 0.003 0.000 0.294 8 G HA3 0.562 4.523 3.960 0.003 0.000 0.294 8 G C -0.962 174.086 174.900 0.247 0.000 1.489 8 G CA -0.176 45.105 45.100 0.301 0.000 0.836 8 G HN 0.768 nan 8.290 nan 0.000 0.527 9 M N -0.683 119.046 119.600 0.215 0.000 2.578 9 M HA 0.890 5.372 4.480 0.003 0.000 0.276 9 M C -0.978 175.383 176.300 0.102 0.000 1.245 9 M CA -0.933 54.417 55.300 0.082 0.000 0.871 9 M CB 2.040 34.594 32.600 -0.077 0.000 1.722 9 M HN 0.943 nan 8.290 nan 0.000 0.473 10 S N -0.448 115.307 115.700 0.091 0.000 2.615 10 S HA 1.020 5.492 4.470 0.003 0.000 0.269 10 S C -1.175 173.471 174.600 0.077 0.000 1.161 10 S CA 0.159 58.428 58.200 0.115 0.000 0.817 10 S CB 2.270 65.575 63.200 0.175 0.000 1.131 10 S HN 1.589 nan 8.310 nan 0.000 0.467 11 G N 1.363 110.208 108.800 0.074 0.000 2.368 11 G HA2 0.506 4.468 3.960 0.003 0.000 0.293 11 G HA3 0.506 4.468 3.960 0.003 0.000 0.293 11 G C -2.466 172.441 174.900 0.012 0.000 1.467 11 G CA -0.720 44.389 45.100 0.015 0.000 0.804 11 G HN 0.613 nan 8.290 nan 0.000 0.535 12 K N 0.465 120.849 120.400 -0.028 0.000 2.507 12 K HA 0.635 4.957 4.320 0.003 0.000 0.252 12 K C -0.928 175.615 176.600 -0.095 0.000 0.943 12 K CA -0.511 55.762 56.287 -0.022 0.000 0.808 12 K CB 2.294 34.802 32.500 0.013 0.000 1.142 12 K HN 0.351 nan 8.250 nan 0.000 0.426 13 L N 2.535 123.678 121.223 -0.134 0.000 2.257 13 L HA 0.559 4.900 4.340 0.003 0.000 0.257 13 L C -2.443 174.395 176.870 -0.054 0.000 1.033 13 L CA -2.722 52.004 54.840 -0.190 0.000 0.835 13 L CB 1.795 43.521 42.059 -0.555 0.000 1.398 13 L HN 0.319 nan 8.230 nan 0.000 0.429 14 P HA -0.002 nan 4.420 nan 0.000 0.262 14 P C -0.525 176.813 177.300 0.063 0.000 1.182 14 P CA 0.503 63.618 63.100 0.026 0.000 0.761 14 P CB 0.255 31.979 31.700 0.039 0.000 0.795 15 E N -0.224 120.003 120.200 0.045 0.000 2.883 15 E HA -0.192 4.160 4.350 0.003 0.000 0.271 15 E C -0.683 175.967 176.600 0.083 0.000 1.049 15 E CA 1.231 57.663 56.400 0.054 0.000 0.817 15 E CB -2.225 27.506 29.700 0.052 0.000 1.407 15 E HN 0.408 nan 8.360 nan 0.000 0.434 16 S N -0.008 115.746 115.700 0.089 0.000 2.789 16 S HA 0.324 4.796 4.470 0.003 0.000 0.286 16 S C 0.693 175.348 174.600 0.091 0.000 1.153 16 S CA -0.729 57.543 58.200 0.121 0.000 1.084 16 S CB 1.970 65.291 63.200 0.202 0.000 1.036 16 S HN 0.057 nan 8.310 nan 0.000 0.484 17 E N 2.788 123.051 120.200 0.104 0.000 2.427 17 E HA 0.006 4.357 4.350 0.003 0.000 0.196 17 E C 0.379 177.059 176.600 0.133 0.000 1.028 17 E CA 0.932 57.398 56.400 0.111 0.000 0.864 17 E CB 0.160 29.933 29.700 0.121 0.000 0.813 17 E HN 0.796 nan 8.360 nan 0.000 0.514 18 N N -2.979 115.807 118.700 0.142 0.000 3.179 18 N HA 0.099 4.840 4.740 0.003 0.000 0.250 18 N C -0.049 175.574 175.510 0.188 0.000 1.507 18 N CA -0.610 52.535 53.050 0.158 0.000 0.883 18 N CB 0.007 38.598 38.487 0.175 0.000 1.435 18 N HN -0.123 nan 8.380 nan 0.000 0.532 19 L N -1.109 120.232 121.223 0.198 0.000 2.275 19 L HA -0.023 4.319 4.340 0.003 0.000 0.215 19 L C 2.124 179.186 176.870 0.321 0.000 1.119 19 L CA 1.128 56.131 54.840 0.270 0.000 0.790 19 L CB -0.376 41.809 42.059 0.210 0.000 0.919 19 L HN 0.682 nan 8.230 nan 0.000 0.443 20 Q N 0.811 120.765 119.800 0.257 0.000 2.083 20 Q HA -0.182 4.160 4.340 0.003 0.000 0.198 20 Q C 1.947 178.101 176.000 0.257 0.000 0.969 20 Q CA 1.592 57.552 55.803 0.262 0.000 0.838 20 Q CB 0.037 28.897 28.738 0.203 0.000 0.900 20 Q HN 0.436 nan 8.270 nan 0.000 0.436 21 E N -0.835 119.496 120.200 0.218 0.000 2.150 21 E HA -0.146 4.206 4.350 0.003 0.000 0.193 21 E C 1.609 178.339 176.600 0.216 0.000 0.985 21 E CA 0.732 57.237 56.400 0.176 0.000 0.814 21 E CB -0.226 29.565 29.700 0.152 0.000 0.752 21 E HN 0.327 nan 8.360 nan 0.000 0.466 22 F N 1.341 121.355 119.950 0.106 0.000 2.102 22 F HA -0.216 4.313 4.527 0.003 0.000 0.298 22 F C 2.049 177.909 175.800 0.100 0.000 1.105 22 F CA 1.356 59.411 58.000 0.092 0.000 1.239 22 F CB -0.537 38.532 39.000 0.115 0.000 0.991 22 F HN 0.171 nan 8.300 nan 0.000 0.474 23 W N 1.534 122.807 121.300 -0.046 0.000 2.355 23 W HA -0.248 4.413 4.660 0.002 0.000 0.309 23 W C 1.810 178.199 176.519 -0.217 0.000 1.206 23 W CA 1.860 59.069 57.345 -0.228 0.000 1.284 23 W CB -0.527 28.823 29.460 -0.184 0.000 1.145 23 W HN 0.039 nan 8.180 nan 0.000 0.502 24 D N 0.467 120.750 120.400 -0.194 0.000 2.116 24 D HA -0.236 4.405 4.640 0.003 0.000 0.193 24 D C 1.695 177.795 176.300 -0.334 0.000 0.998 24 D CA 1.599 55.433 54.000 -0.276 0.000 0.836 24 D CB -0.890 39.876 40.800 -0.056 0.000 0.951 24 D HN 0.172 nan 8.370 nan 0.000 0.449 25 N N 0.431 118.997 118.700 -0.223 0.000 2.120 25 N HA -0.091 4.651 4.740 0.003 0.000 0.188 25 N C 2.150 177.457 175.510 -0.338 0.000 1.024 25 N CA 0.446 53.374 53.050 -0.203 0.000 0.852 25 N CB -0.455 37.988 38.487 -0.074 0.000 1.003 25 N HN 0.247 nan 8.380 nan 0.000 0.424 26 L N 0.130 121.042 121.223 -0.520 0.000 1.976 26 L HA -0.135 4.206 4.340 0.003 0.000 0.209 26 L C 2.205 178.696 176.870 -0.631 0.000 1.071 26 L CA 0.886 55.373 54.840 -0.588 0.000 0.746 26 L CB -0.388 41.244 42.059 -0.711 0.000 0.890 26 L HN 0.077 nan 8.230 nan 0.000 0.432 27 I N 0.099 120.062 120.570 -1.012 0.000 2.614 27 I HA -0.110 4.062 4.170 0.003 0.000 0.258 27 I C 2.043 177.872 176.117 -0.481 0.000 1.189 27 I CA 1.084 61.856 61.300 -0.881 0.000 1.462 27 I CB -0.340 36.867 38.000 -1.320 0.000 1.092 27 I HN 0.129 nan 8.210 nan 0.000 0.442 28 G N -0.674 107.878 108.800 -0.414 0.000 2.985 28 G HA2 0.207 4.168 3.960 0.003 0.000 0.209 28 G HA3 0.207 4.168 3.960 0.003 0.000 0.209 28 G C 1.326 176.112 174.900 -0.191 0.000 1.165 28 G CA 0.272 45.223 45.100 -0.248 0.000 0.776 28 G HN 0.681 nan 8.290 nan 0.000 0.541 29 G N -0.643 108.028 108.800 -0.215 0.000 2.203 29 G HA2 -0.253 3.708 3.960 0.003 0.000 0.263 29 G HA3 -0.253 3.708 3.960 0.003 0.000 0.263 29 G C 0.267 175.086 174.900 -0.135 0.000 1.012 29 G CA 0.243 45.245 45.100 -0.165 0.000 0.749 29 G HN 0.708 nan 8.290 nan 0.000 0.512 30 V N 0.753 120.587 119.914 -0.134 0.000 2.508 30 V HA 0.306 4.428 4.120 0.003 0.000 0.281 30 V C 0.661 176.718 176.094 -0.063 0.000 1.041 30 V CA -0.527 61.722 62.300 -0.085 0.000 1.016 30 V CB 1.612 33.392 31.823 -0.072 0.000 0.984 30 V HN 0.373 nan 8.190 nan 0.000 0.478 31 D N 4.462 124.842 120.400 -0.033 0.000 2.339 31 D HA 0.203 4.844 4.640 0.003 0.000 0.256 31 D C 0.667 176.985 176.300 0.029 0.000 1.214 31 D CA 0.035 54.040 54.000 0.009 0.000 0.877 31 D CB 1.234 42.065 40.800 0.051 0.000 1.111 31 D HN 0.496 nan 8.370 nan 0.000 0.478 32 M N 2.173 121.801 119.600 0.048 0.000 2.561 32 M HA 0.071 4.553 4.480 0.003 0.000 0.238 32 M C 0.228 176.558 176.300 0.051 0.000 1.131 32 M CA 0.052 55.388 55.300 0.060 0.000 1.046 32 M CB 0.608 33.272 32.600 0.106 0.000 1.532 32 M HN 0.089 nan 8.290 nan 0.000 0.497 33 V N 1.472 121.419 119.914 0.054 0.000 2.498 33 V HA 0.260 4.382 4.120 0.003 0.000 0.279 33 V C 0.535 176.642 176.094 0.021 0.000 1.048 33 V CA -0.283 62.039 62.300 0.037 0.000 0.967 33 V CB 0.835 32.687 31.823 0.049 0.000 0.988 33 V HN 0.412 nan 8.190 nan 0.000 0.473 34 T N 0.181 114.733 114.554 -0.003 0.000 2.888 34 T HA 0.586 4.938 4.350 0.003 0.000 0.288 34 T C -0.400 174.281 174.700 -0.030 0.000 1.063 34 T CA -0.487 61.605 62.100 -0.013 0.000 1.010 34 T CB 2.062 70.919 68.868 -0.019 0.000 1.214 34 T HN 0.661 nan 8.240 nan 0.000 0.533 35 D N -1.072 119.310 120.400 -0.030 0.000 2.720 35 D HA 0.212 4.854 4.640 0.003 0.000 0.285 35 D C -0.280 175.991 176.300 -0.047 0.000 1.359 35 D CA -0.541 53.437 54.000 -0.037 0.000 0.818 35 D CB -0.574 40.216 40.800 -0.017 0.000 1.108 35 D HN 0.757 nan 8.370 nan 0.000 0.474 36 D N -1.099 119.263 120.400 -0.063 0.000 2.466 36 D HA 0.197 4.838 4.640 0.003 0.000 0.262 36 D C 0.106 176.347 176.300 -0.098 0.000 1.177 36 D CA -0.668 53.295 54.000 -0.062 0.000 1.035 36 D CB 0.731 41.501 40.800 -0.050 0.000 1.105 36 D HN -0.229 nan 8.370 nan 0.000 0.551 37 D N -0.856 119.498 120.400 -0.076 0.000 2.370 37 D HA 0.056 4.698 4.640 0.003 0.000 0.230 37 D C 1.321 177.562 176.300 -0.098 0.000 1.143 37 D CA -0.048 53.902 54.000 -0.083 0.000 0.834 37 D CB 0.037 40.822 40.800 -0.026 0.000 0.944 37 D HN 0.363 nan 8.370 nan 0.000 0.504 38 R N 0.589 121.014 120.500 -0.124 0.000 2.113 38 R HA -0.132 4.210 4.340 0.003 0.000 0.244 38 R C 1.770 178.004 176.300 -0.111 0.000 1.142 38 R CA 1.441 57.479 56.100 -0.104 0.000 0.953 38 R CB 0.285 30.520 30.300 -0.109 0.000 0.860 38 R HN 0.047 nan 8.270 nan 0.000 0.438 39 R N -1.544 118.810 120.500 -0.245 0.000 2.175 39 R HA 0.045 4.387 4.340 0.003 0.000 0.202 39 R C 0.099 176.418 176.300 0.032 0.000 1.018 39 R CA 0.680 56.662 56.100 -0.197 0.000 1.029 39 R CB 0.345 30.350 30.300 -0.491 0.000 0.959 39 R HN 0.230 nan 8.270 nan 0.000 0.480 40 W N -0.392 120.919 121.300 0.019 0.000 3.059 40 W HA 0.434 5.096 4.660 0.003 0.000 0.329 40 W C -1.330 175.174 176.519 -0.025 0.000 1.246 40 W CA -1.365 55.980 57.345 0.001 0.000 1.190 40 W CB 0.113 29.573 29.460 0.000 0.000 1.423 40 W HN -0.382 nan 8.180 nan 0.000 0.571 41 K N 2.146 122.702 120.400 0.260 0.000 2.437 41 K HA 0.358 4.680 4.320 0.003 0.000 0.277 41 K C 0.554 177.267 176.600 0.189 0.000 1.073 41 K CA 0.595 56.962 56.287 0.132 0.000 1.105 41 K CB 0.290 32.823 32.500 0.055 0.000 0.881 41 K HN 0.581 nan 8.250 nan 0.000 0.475 42 A N 2.862 125.737 122.820 0.091 0.000 2.520 42 A HA 0.365 4.686 4.320 0.003 0.000 0.245 42 A C 1.408 179.045 177.584 0.089 0.000 1.072 42 A CA 0.649 52.739 52.037 0.088 0.000 0.761 42 A CB -0.375 18.633 19.000 0.013 0.000 1.004 42 A HN 0.979 nan 8.150 nan 0.000 0.499 43 G N 0.999 109.871 108.800 0.120 0.000 2.195 43 G HA2 -0.137 3.825 3.960 0.003 0.000 0.246 43 G HA3 -0.137 3.825 3.960 0.003 0.000 0.246 43 G C 0.227 175.138 174.900 0.018 0.000 0.984 43 G CA 0.140 45.279 45.100 0.066 0.000 0.633 43 G HN 1.563 nan 8.290 nan 0.000 0.525 44 L N 0.830 122.041 121.223 -0.019 0.000 2.640 44 L HA 0.378 4.720 4.340 0.003 0.000 0.280 44 L C 1.310 178.005 176.870 -0.291 0.000 1.229 44 L CA 0.957 55.619 54.840 -0.297 0.000 0.919 44 L CB -0.532 41.251 42.059 -0.459 0.000 1.168 44 L HN 0.700 nan 8.230 nan 0.000 0.496 45 Y N 2.659 122.934 120.300 -0.042 0.000 4.604 45 Y HA -0.199 4.353 4.550 0.003 0.000 0.230 45 Y C 1.541 177.419 175.900 -0.037 0.000 1.066 45 Y CA 1.157 59.222 58.100 -0.058 0.000 1.990 45 Y CB -2.253 36.142 38.460 -0.110 0.000 1.619 45 Y HN 0.991 nan 8.280 nan 0.000 0.649 46 G N -0.832 108.017 108.800 0.083 0.000 2.143 46 G HA2 -0.315 3.647 3.960 0.003 0.000 0.248 46 G HA3 -0.315 3.647 3.960 0.003 0.000 0.248 46 G C 0.225 175.162 174.900 0.062 0.000 0.991 46 G CA 0.098 45.234 45.100 0.060 0.000 0.689 46 G HN 0.530 nan 8.290 nan 0.000 0.522 47 L N 0.481 121.753 121.223 0.080 0.000 2.472 47 L HA 0.357 4.698 4.340 0.003 0.000 0.260 47 L C -1.314 175.616 176.870 0.099 0.000 1.209 47 L CA -1.817 53.084 54.840 0.102 0.000 0.817 47 L CB 0.253 42.410 42.059 0.163 0.000 1.106 47 L HN -0.060 nan 8.230 nan 0.000 0.479 48 P HA 0.126 nan 4.420 nan 0.000 0.272 48 P C -0.083 177.270 177.300 0.087 0.000 1.223 48 P CA -0.158 62.978 63.100 0.060 0.000 0.784 48 P CB 0.565 32.284 31.700 0.032 0.000 0.923 49 R N 1.056 121.587 120.500 0.052 0.000 2.153 49 R HA 0.032 4.374 4.340 0.003 0.000 0.218 49 R C 0.610 176.914 176.300 0.008 0.000 1.072 49 R CA 0.739 56.863 56.100 0.040 0.000 0.990 49 R CB -0.002 30.310 30.300 0.021 0.000 0.889 49 R HN 0.461 nan 8.270 nan 0.000 0.452 50 R N 0.942 121.445 120.500 0.005 0.000 2.410 50 R HA 0.193 4.534 4.340 0.003 0.000 0.288 50 R C -0.386 175.907 176.300 -0.012 0.000 1.051 50 R CA 0.023 56.115 56.100 -0.012 0.000 1.021 50 R CB 1.554 31.848 30.300 -0.010 0.000 1.032 50 R HN 0.083 nan 8.270 nan 0.000 0.481 51 S N -0.143 115.537 115.700 -0.034 0.000 2.552 51 S HA 0.420 4.892 4.470 0.003 0.000 0.272 51 S C -0.583 173.995 174.600 -0.035 0.000 1.150 51 S CA -1.079 57.103 58.200 -0.031 0.000 0.849 51 S CB 1.563 64.723 63.200 -0.066 0.000 1.113 51 S HN 0.676 nan 8.310 nan 0.000 0.458 52 G N 1.246 110.040 108.800 -0.010 0.000 2.338 52 G HA2 0.545 4.507 3.960 0.003 0.000 0.295 52 G HA3 0.545 4.507 3.960 0.003 0.000 0.295 52 G C -0.787 174.095 174.900 -0.029 0.000 1.132 52 G CA -0.590 44.508 45.100 -0.003 0.000 0.922 52 G HN 0.698 nan 8.290 nan 0.000 0.427 53 K N 2.364 122.740 120.400 -0.039 0.000 2.316 53 K HA 0.418 4.740 4.320 0.003 0.000 0.251 53 K C -0.032 176.551 176.600 -0.029 0.000 0.934 53 K CA -0.776 55.479 56.287 -0.054 0.000 0.802 53 K CB 2.577 35.022 32.500 -0.093 0.000 1.171 53 K HN 0.320 nan 8.250 nan 0.000 0.426 54 L N 2.727 123.935 121.223 -0.026 0.000 2.467 54 L HA 0.104 4.446 4.340 0.003 0.000 0.270 54 L C 1.461 178.327 176.870 -0.007 0.000 1.205 54 L CA 0.049 54.882 54.840 -0.012 0.000 0.828 54 L CB 0.298 42.350 42.059 -0.012 0.000 1.101 54 L HN 0.635 nan 8.230 nan 0.000 0.479 55 K N 0.179 120.584 120.400 0.009 0.000 2.097 55 K HA -0.095 4.227 4.320 0.003 0.000 0.206 55 K C 0.095 176.700 176.600 0.009 0.000 1.049 55 K CA 1.130 57.424 56.287 0.012 0.000 0.933 55 K CB 0.069 32.587 32.500 0.030 0.000 0.717 55 K HN 0.507 nan 8.250 nan 0.000 0.442 56 D N -1.427 118.979 120.400 0.009 0.000 2.837 56 D HA 0.197 4.839 4.640 0.003 0.000 0.220 56 D C -0.497 175.803 176.300 -0.000 0.000 1.236 56 D CA -0.364 53.639 54.000 0.006 0.000 0.838 56 D CB 1.747 42.551 40.800 0.007 0.000 1.647 56 D HN -0.145 nan 8.370 nan 0.000 0.486 57 L N 1.662 122.889 121.223 0.006 0.000 2.966 57 L HA 0.095 4.436 4.340 0.003 0.000 0.262 57 L C 1.681 178.568 176.870 0.028 0.000 1.165 57 L CA 0.094 54.938 54.840 0.006 0.000 0.978 57 L CB 0.456 42.526 42.059 0.017 0.000 1.337 57 L HN 0.305 nan 8.230 nan 0.000 0.563 58 S N -1.339 114.386 115.700 0.042 0.000 2.535 58 S HA 0.187 4.659 4.470 0.003 0.000 0.214 58 S C 0.921 175.624 174.600 0.171 0.000 0.980 58 S CA -0.458 57.806 58.200 0.106 0.000 0.907 58 S CB 0.132 63.376 63.200 0.072 0.000 0.790 58 S HN 0.114 nan 8.310 nan 0.000 0.510 59 R N 1.491 122.010 120.500 0.032 0.000 2.357 59 R HA 0.625 4.966 4.340 0.003 0.000 0.296 59 R C -1.299 175.021 176.300 0.033 0.000 1.052 59 R CA -0.680 55.364 56.100 -0.093 0.000 0.988 59 R CB 0.218 30.160 30.300 -0.597 0.000 1.025 59 R HN 0.395 nan 8.270 nan 0.000 0.469 60 F N 1.137 121.124 119.950 0.061 0.000 2.651 60 F HA 0.105 4.634 4.527 0.003 0.000 0.327 60 F C -1.097 174.872 175.800 0.281 0.000 1.133 60 F CA -1.467 56.548 58.000 0.026 0.000 1.076 60 F CB 1.524 40.356 39.000 -0.280 0.000 1.315 60 F HN 0.422 nan 8.300 nan 0.000 0.499 61 D N 5.043 125.307 120.400 -0.226 0.000 2.619 61 D HA 0.377 5.019 4.640 0.003 0.000 0.224 61 D C 1.206 177.169 176.300 -0.562 0.000 1.133 61 D CA 0.744 54.663 54.000 -0.136 0.000 1.017 61 D CB 0.954 41.798 40.800 0.074 0.000 1.077 61 D HN 0.701 nan 8.370 nan 0.000 0.503 62 A N 1.972 124.363 122.820 -0.714 0.000 1.917 62 A HA -0.247 4.075 4.320 0.003 0.000 0.219 62 A C 2.266 179.653 177.584 -0.329 0.000 1.182 62 A CA 2.222 53.796 52.037 -0.772 0.000 0.633 62 A CB -0.502 18.166 19.000 -0.553 0.000 0.819 62 A HN 0.549 nan 8.150 nan 0.000 0.448 63 S N -1.468 114.151 115.700 -0.135 0.000 2.402 63 S HA -0.146 4.325 4.470 0.003 0.000 0.229 63 S C 1.799 176.333 174.600 -0.111 0.000 1.021 63 S CA 1.292 59.442 58.200 -0.083 0.000 0.974 63 S CB -0.731 62.472 63.200 0.005 0.000 0.800 63 S HN 0.530 nan 8.310 nan 0.000 0.484 64 F N 2.061 121.841 119.950 -0.284 0.000 2.161 64 F HA 0.085 4.614 4.527 0.003 0.000 0.300 64 F C 1.242 176.675 175.800 -0.611 0.000 1.089 64 F CA 0.896 58.642 58.000 -0.423 0.000 1.282 64 F CB -0.419 38.256 39.000 -0.541 0.000 1.010 64 F HN 0.191 nan 8.300 nan 0.000 0.485 65 F N 0.523 120.225 119.950 -0.413 0.000 2.773 65 F HA 0.301 4.830 4.527 0.003 0.000 0.304 65 F C 1.802 177.413 175.800 -0.315 0.000 1.129 65 F CA 0.481 58.072 58.000 -0.681 0.000 1.378 65 F CB -0.546 38.052 39.000 -0.670 0.000 1.095 65 F HN 0.093 nan 8.300 nan 0.000 0.565 66 G N 0.870 109.580 108.800 -0.150 0.000 2.198 66 G HA2 -0.261 3.701 3.960 0.003 0.000 0.260 66 G HA3 -0.261 3.701 3.960 0.003 0.000 0.260 66 G C -0.142 174.639 174.900 -0.200 0.000 1.025 66 G CA 0.204 45.220 45.100 -0.139 0.000 0.769 66 G HN 0.182 nan 8.290 nan 0.000 0.507 67 V N 2.485 122.288 119.914 -0.185 0.000 2.350 67 V HA 0.365 4.486 4.120 0.003 0.000 0.276 67 V C 0.756 176.705 176.094 -0.242 0.000 1.028 67 V CA -1.325 60.866 62.300 -0.183 0.000 0.860 67 V CB 1.064 32.874 31.823 -0.022 0.000 0.990 67 V HN 0.358 nan 8.190 nan 0.000 0.453 68 H N 6.032 125.060 119.070 -0.070 0.000 2.771 68 H HA 0.128 4.686 4.556 0.003 0.000 0.364 68 H C -1.512 173.775 175.328 -0.068 0.000 1.133 68 H CA -1.739 54.276 56.048 -0.055 0.000 1.423 68 H CB 0.903 30.625 29.762 -0.066 0.000 1.425 68 H HN 0.359 nan 8.280 nan 0.000 0.606 69 P HA -0.178 nan 4.420 nan 0.000 0.216 69 P C 1.401 178.838 177.300 0.228 0.000 1.153 69 P CA 1.685 64.941 63.100 0.259 0.000 0.858 69 P CB 0.347 32.299 31.700 0.419 0.000 0.789 70 K N -0.604 119.897 120.400 0.169 0.000 2.103 70 K HA -0.181 4.141 4.320 0.003 0.000 0.207 70 K C 2.100 178.749 176.600 0.081 0.000 1.048 70 K CA 1.530 57.907 56.287 0.150 0.000 0.930 70 K CB -0.503 31.986 32.500 -0.019 0.000 0.716 70 K HN 0.200 nan 8.250 nan 0.000 0.444 71 Q N 0.187 119.928 119.800 -0.098 0.000 2.123 71 Q HA 0.018 4.360 4.340 0.003 0.000 0.199 71 Q C 2.011 177.970 176.000 -0.070 0.000 0.966 71 Q CA 1.393 57.149 55.803 -0.077 0.000 0.845 71 Q CB -0.324 28.330 28.738 -0.141 0.000 0.907 71 Q HN 0.344 nan 8.270 nan 0.000 0.439 72 A N 0.217 122.909 122.820 -0.214 0.000 1.933 72 A HA -0.218 4.104 4.320 0.003 0.000 0.218 72 A C 1.666 179.070 177.584 -0.299 0.000 1.175 72 A CA 1.478 53.220 52.037 -0.491 0.000 0.628 72 A CB -0.659 17.561 19.000 -1.300 0.000 0.814 72 A HN 0.375 nan 8.150 nan 0.000 0.444 73 H N -0.018 119.099 119.070 0.079 0.000 2.491 73 H HA -0.041 4.517 4.556 0.003 0.000 0.290 73 H C 1.410 176.812 175.328 0.124 0.000 1.050 73 H CA 1.731 57.921 56.048 0.236 0.000 1.309 73 H CB -0.096 29.845 29.762 0.298 0.000 1.392 73 H HN 0.641 nan 8.280 nan 0.000 0.554 74 T N -2.690 111.984 114.554 0.200 0.000 3.215 74 T HA 0.282 4.633 4.350 0.003 0.000 0.271 74 T C 0.464 175.194 174.700 0.049 0.000 1.012 74 T CA -0.321 61.865 62.100 0.143 0.000 0.899 74 T CB 0.024 69.021 68.868 0.215 0.000 1.089 74 T HN -0.011 nan 8.240 nan 0.000 0.552 75 M N 2.334 121.912 119.600 -0.037 0.000 2.363 75 M HA 0.383 4.865 4.480 0.003 0.000 0.343 75 M C -0.640 175.586 176.300 -0.123 0.000 1.165 75 M CA -0.709 54.514 55.300 -0.129 0.000 1.046 75 M CB 1.298 33.723 32.600 -0.292 0.000 1.648 75 M HN -0.001 nan 8.290 nan 0.000 0.452 76 D N 4.798 125.132 120.400 -0.110 0.000 2.458 76 D HA 0.069 4.711 4.640 0.003 0.000 0.243 76 D C -1.957 174.259 176.300 -0.139 0.000 1.146 76 D CA -1.362 52.591 54.000 -0.078 0.000 0.877 76 D CB 1.320 42.087 40.800 -0.056 0.000 1.176 76 D HN 0.341 nan 8.370 nan 0.000 0.461 77 P HA -0.129 nan 4.420 nan 0.000 0.219 77 P C 1.152 178.366 177.300 -0.143 0.000 1.146 77 P CA 1.218 64.245 63.100 -0.122 0.000 0.808 77 P CB 0.228 31.904 31.700 -0.039 0.000 0.779 78 Q N -1.054 118.689 119.800 -0.095 0.000 2.096 78 Q HA -0.179 4.163 4.340 0.003 0.000 0.204 78 Q C 2.017 177.938 176.000 -0.132 0.000 0.982 78 Q CA 1.131 56.885 55.803 -0.082 0.000 0.850 78 Q CB -0.781 27.933 28.738 -0.040 0.000 0.901 78 Q HN 0.197 nan 8.270 nan 0.000 0.422 79 L N 0.861 121.977 121.223 -0.177 0.000 2.072 79 L HA -0.120 4.221 4.340 0.003 0.000 0.205 79 L C 2.102 178.726 176.870 -0.410 0.000 1.079 79 L CA 1.623 56.325 54.840 -0.230 0.000 0.752 79 L CB -0.310 41.617 42.059 -0.221 0.000 0.906 79 L HN 0.015 nan 8.230 nan 0.000 0.436 80 R N -0.670 119.466 120.500 -0.606 0.000 2.083 80 R HA -0.153 4.189 4.340 0.003 0.000 0.237 80 R C 2.257 178.220 176.300 -0.561 0.000 1.137 80 R CA 1.859 57.307 56.100 -1.087 0.000 0.951 80 R CB -0.638 28.957 30.300 -1.174 0.000 0.851 80 R HN 0.389 nan 8.270 nan 0.000 0.434 81 L N 0.270 121.306 121.223 -0.311 0.000 2.056 81 L HA -0.171 4.171 4.340 0.003 0.000 0.207 81 L C 2.436 179.236 176.870 -0.115 0.000 1.078 81 L CA 0.615 55.362 54.840 -0.155 0.000 0.749 81 L CB -0.443 41.561 42.059 -0.091 0.000 0.901 81 L HN 0.173 nan 8.230 nan 0.000 0.433 82 L N 0.020 121.172 121.223 -0.118 0.000 2.083 82 L HA -0.200 4.142 4.340 0.003 0.000 0.209 82 L C 2.357 179.219 176.870 -0.014 0.000 1.083 82 L CA 1.632 56.449 54.840 -0.038 0.000 0.752 82 L CB -0.467 41.578 42.059 -0.024 0.000 0.899 82 L HN 0.096 nan 8.230 nan 0.000 0.433 83 L N -0.780 120.342 121.223 -0.168 0.000 2.012 83 L HA -0.264 4.078 4.340 0.003 0.000 0.210 83 L C 2.514 179.340 176.870 -0.074 0.000 1.073 83 L CA 1.765 56.459 54.840 -0.244 0.000 0.748 83 L CB -0.507 40.998 42.059 -0.923 0.000 0.891 83 L HN 0.355 nan 8.230 nan 0.000 0.431 84 E N -0.825 119.252 120.200 -0.205 0.000 2.072 84 E HA -0.163 4.188 4.350 0.003 0.000 0.190 84 E C 2.254 179.057 176.600 0.339 0.000 0.982 84 E CA 1.119 57.517 56.400 -0.004 0.000 0.803 84 E CB -0.053 29.397 29.700 -0.417 0.000 0.755 84 E HN 0.267 nan 8.360 nan 0.000 0.453 85 V N 1.327 121.367 119.914 0.210 0.000 2.490 85 V HA -0.229 3.893 4.120 0.003 0.000 0.250 85 V C 2.248 178.502 176.094 0.267 0.000 1.061 85 V CA 1.991 64.431 62.300 0.232 0.000 1.064 85 V CB -0.602 31.298 31.823 0.128 0.000 0.670 85 V HN 0.327 nan 8.190 nan 0.000 0.461 86 T N -1.075 113.646 114.554 0.279 0.000 2.777 86 T HA -0.211 4.141 4.350 0.003 0.000 0.266 86 T C 1.752 176.631 174.700 0.298 0.000 1.040 86 T CA 1.908 64.142 62.100 0.222 0.000 1.141 86 T CB -0.341 68.637 68.868 0.182 0.000 0.868 86 T HN 0.563 nan 8.240 nan 0.000 0.444 87 Y N 1.998 122.635 120.300 0.561 0.000 2.145 87 Y HA -0.155 4.397 4.550 0.003 0.000 0.286 87 Y C 2.305 178.480 175.900 0.459 0.000 1.145 87 Y CA 1.553 60.075 58.100 0.704 0.000 1.148 87 Y CB -0.196 38.889 38.460 1.041 0.000 0.981 87 Y HN 0.299 nan 8.280 nan 0.000 0.507 88 E N -0.199 120.374 120.200 0.621 0.000 2.110 88 E HA -0.202 4.150 4.350 0.003 0.000 0.193 88 E C 2.318 179.054 176.600 0.227 0.000 0.988 88 E CA 0.968 57.617 56.400 0.415 0.000 0.804 88 E CB -0.309 29.649 29.700 0.431 0.000 0.745 88 E HN 0.574 nan 8.360 nan 0.000 0.458 89 A N 0.972 123.909 122.820 0.193 0.000 1.898 89 A HA -0.152 4.170 4.320 0.003 0.000 0.216 89 A C 2.159 179.790 177.584 0.078 0.000 1.181 89 A CA 1.021 53.136 52.037 0.130 0.000 0.620 89 A CB -0.486 18.579 19.000 0.108 0.000 0.819 89 A HN 0.125 nan 8.150 nan 0.000 0.442 90 I N 0.299 120.882 120.570 0.023 0.000 2.163 90 I HA -0.214 3.958 4.170 0.003 0.000 0.240 90 I C 2.498 178.586 176.117 -0.050 0.000 1.081 90 I CA 1.580 62.860 61.300 -0.033 0.000 1.353 90 I CB -0.431 37.523 38.000 -0.078 0.000 1.054 90 I HN 0.309 nan 8.210 nan 0.000 0.407 91 V N -1.338 118.521 119.914 -0.092 0.000 2.594 91 V HA -0.255 3.867 4.120 0.003 0.000 0.253 91 V C 1.955 178.055 176.094 0.010 0.000 1.069 91 V CA 2.213 64.478 62.300 -0.058 0.000 1.082 91 V CB -0.921 30.868 31.823 -0.057 0.000 0.680 91 V HN 0.415 nan 8.190 nan 0.000 0.469 92 D N 1.938 122.376 120.400 0.062 0.000 2.178 92 D HA -0.056 4.585 4.640 0.003 0.000 0.201 92 D C 2.013 178.352 176.300 0.064 0.000 0.980 92 D CA 1.599 55.663 54.000 0.107 0.000 0.842 92 D CB -0.575 40.328 40.800 0.172 0.000 0.948 92 D HN 0.537 nan 8.370 nan 0.000 0.472 93 G N -1.567 107.248 108.800 0.025 0.000 2.920 93 G HA2 0.246 4.208 3.960 0.003 0.000 0.208 93 G HA3 0.246 4.208 3.960 0.003 0.000 0.208 93 G C 1.133 175.974 174.900 -0.097 0.000 1.159 93 G CA 0.258 45.336 45.100 -0.037 0.000 0.784 93 G HN 0.566 nan 8.290 nan 0.000 0.535 94 G N -0.327 108.428 108.800 -0.075 0.000 2.160 94 G HA2 -0.270 3.692 3.960 0.003 0.000 0.251 94 G HA3 -0.270 3.692 3.960 0.003 0.000 0.251 94 G C 0.130 174.956 174.900 -0.124 0.000 1.008 94 G CA 0.279 45.314 45.100 -0.109 0.000 0.724 94 G HN 0.489 nan 8.290 nan 0.000 0.514 95 I N 0.391 120.906 120.570 -0.091 0.000 2.404 95 I HA 0.290 4.461 4.170 0.003 0.000 0.293 95 I C 0.140 176.228 176.117 -0.049 0.000 0.992 95 I CA -1.121 60.134 61.300 -0.076 0.000 1.149 95 I CB 1.594 39.555 38.000 -0.065 0.000 1.315 95 I HN 0.084 nan 8.210 nan 0.000 0.446 96 N N 8.048 126.734 118.700 -0.023 0.000 2.411 96 N HA 0.184 4.926 4.740 0.003 0.000 0.259 96 N C -1.944 173.589 175.510 0.037 0.000 1.103 96 N CA -1.831 51.225 53.050 0.010 0.000 0.954 96 N CB 1.543 40.049 38.487 0.032 0.000 1.085 96 N HN 0.242 nan 8.380 nan 0.000 0.485 97 P HA -0.095 nan 4.420 nan 0.000 0.220 97 P C 0.373 177.765 177.300 0.153 0.000 1.144 97 P CA 0.979 64.163 63.100 0.140 0.000 0.800 97 P CB 0.384 32.226 31.700 0.237 0.000 0.772 98 D N -1.091 119.374 120.400 0.108 0.000 2.218 98 D HA -0.110 4.532 4.640 0.003 0.000 0.204 98 D C 1.949 178.282 176.300 0.056 0.000 0.976 98 D CA 1.428 55.464 54.000 0.060 0.000 0.853 98 D CB -0.548 40.278 40.800 0.043 0.000 0.939 98 D HN 0.254 nan 8.370 nan 0.000 0.481 99 S N -0.393 115.344 115.700 0.062 0.000 2.515 99 S HA -0.026 4.446 4.470 0.003 0.000 0.231 99 S C 1.771 176.416 174.600 0.074 0.000 0.987 99 S CA 0.324 58.553 58.200 0.050 0.000 0.936 99 S CB -0.245 62.973 63.200 0.029 0.000 0.766 99 S HN 0.236 nan 8.310 nan 0.000 0.528 100 L N 0.221 121.524 121.223 0.133 0.000 2.640 100 L HA 0.324 4.666 4.340 0.003 0.000 0.230 100 L C 0.854 177.879 176.870 0.258 0.000 1.123 100 L CA -0.322 54.636 54.840 0.198 0.000 0.900 100 L CB 0.021 42.261 42.059 0.302 0.000 1.146 100 L HN 0.069 nan 8.230 nan 0.000 0.484 101 R N 0.449 121.043 120.500 0.156 0.000 2.489 101 R HA 0.264 4.605 4.340 0.003 0.000 0.287 101 R C 1.204 177.552 176.300 0.080 0.000 1.053 101 R CA 0.799 56.953 56.100 0.089 0.000 1.036 101 R CB 0.334 30.622 30.300 -0.021 0.000 0.966 101 R HN 0.257 nan 8.270 nan 0.000 0.432 102 G N 1.500 110.351 108.800 0.085 0.000 2.179 102 G HA2 -0.330 3.632 3.960 0.003 0.000 0.260 102 G HA3 -0.330 3.632 3.960 0.003 0.000 0.260 102 G C 0.372 175.331 174.900 0.099 0.000 0.977 102 G CA 0.560 45.701 45.100 0.069 0.000 0.641 102 G HN 0.738 nan 8.290 nan 0.000 0.533 103 T N -3.150 111.482 114.554 0.131 0.000 2.847 103 T HA 0.511 4.863 4.350 0.003 0.000 0.279 103 T C 0.597 175.374 174.700 0.129 0.000 0.984 103 T CA 0.272 62.443 62.100 0.117 0.000 0.988 103 T CB 1.483 70.401 68.868 0.083 0.000 1.040 103 T HN 0.306 nan 8.240 nan 0.000 0.528 104 H N 0.159 119.242 119.070 0.022 0.000 2.842 104 H HA 0.293 4.851 4.556 0.003 0.000 0.312 104 H C 0.254 175.565 175.328 -0.029 0.000 1.137 104 H CA 0.043 56.098 56.048 0.012 0.000 1.176 104 H CB -1.089 28.681 29.762 0.013 0.000 1.361 104 H HN 0.619 nan 8.280 nan 0.000 0.557 105 T N -0.029 114.449 114.554 -0.126 0.000 2.916 105 T HA 0.276 4.628 4.350 0.003 0.000 0.303 105 T C 0.902 175.402 174.700 -0.334 0.000 1.025 105 T CA 0.392 62.298 62.100 -0.323 0.000 1.142 105 T CB 0.875 69.266 68.868 -0.795 0.000 0.947 105 T HN 0.606 nan 8.240 nan 0.000 0.544 106 G N 1.074 109.756 108.800 -0.197 0.000 2.461 106 G HA2 0.606 4.568 3.960 0.003 0.000 0.329 106 G HA3 0.606 4.568 3.960 0.003 0.000 0.329 106 G C -1.212 173.557 174.900 -0.217 0.000 1.170 106 G CA -0.547 44.396 45.100 -0.262 0.000 0.935 106 G HN 0.661 nan 8.290 nan 0.000 0.492 107 V N 0.815 120.459 119.914 -0.451 0.000 2.577 107 V HA 0.488 4.610 4.120 0.003 0.000 0.303 107 V C -1.135 174.760 176.094 -0.332 0.000 1.042 107 V CA -0.697 61.514 62.300 -0.148 0.000 0.872 107 V CB 1.777 33.605 31.823 0.009 0.000 0.998 107 V HN 0.724 nan 8.190 nan 0.000 0.423 108 W N 3.962 125.286 121.300 0.041 0.000 2.619 108 W HA 0.684 5.346 4.660 0.004 0.000 0.327 108 W C -1.154 175.391 176.519 0.044 0.000 1.027 108 W CA -0.633 56.736 57.345 0.041 0.000 1.233 108 W CB 2.327 31.809 29.460 0.036 0.000 1.370 108 W HN 0.283 nan 8.180 nan 0.000 0.453 109 V N 2.438 122.477 119.914 0.209 0.000 2.409 109 V HA 0.537 4.659 4.120 0.003 0.000 0.291 109 V C 0.474 176.645 176.094 0.128 0.000 1.020 109 V CA -0.699 61.687 62.300 0.144 0.000 0.848 109 V CB 1.543 33.421 31.823 0.091 0.000 0.990 109 V HN 0.625 nan 8.190 nan 0.000 0.430 110 G N 2.940 111.807 108.800 0.111 0.000 2.320 110 G HA2 0.554 4.515 3.960 0.003 0.000 0.300 110 G HA3 0.554 4.515 3.960 0.003 0.000 0.300 110 G C -0.938 174.003 174.900 0.069 0.000 1.126 110 G CA -0.305 44.849 45.100 0.090 0.000 0.896 110 G HN 0.774 nan 8.290 nan 0.000 0.436 111 V N 1.963 121.916 119.914 0.064 0.000 2.932 111 V HA 0.708 4.830 4.120 0.003 0.000 0.307 111 V C 0.385 176.515 176.094 0.059 0.000 1.147 111 V CA 0.101 62.434 62.300 0.055 0.000 0.951 111 V CB 2.403 34.253 31.823 0.046 0.000 1.031 111 V HN 1.083 nan 8.190 nan 0.000 0.426 112 S N 3.163 118.902 115.700 0.065 0.000 2.687 112 S HA 0.512 4.983 4.470 0.003 0.000 0.247 112 S C 0.504 175.153 174.600 0.082 0.000 1.050 112 S CA 0.328 58.577 58.200 0.082 0.000 1.063 112 S CB 0.646 63.914 63.200 0.113 0.000 1.039 112 S HN 1.633 nan 8.310 nan 0.000 0.580 113 G N -0.066 108.775 108.800 0.069 0.000 2.524 113 G HA2 0.570 4.532 3.960 0.003 0.000 0.310 113 G HA3 0.570 4.532 3.960 0.003 0.000 0.310 113 G C -0.790 174.139 174.900 0.048 0.000 1.279 113 G CA -0.577 44.560 45.100 0.061 0.000 0.974 113 G HN 0.104 nan 8.290 nan 0.000 0.484 114 S N 0.506 116.234 115.700 0.046 0.000 2.617 114 S HA 0.165 4.637 4.470 0.003 0.000 0.237 114 S C 1.066 175.710 174.600 0.073 0.000 1.142 114 S CA -0.426 57.803 58.200 0.049 0.000 1.167 114 S CB 0.423 63.647 63.200 0.041 0.000 1.068 114 S HN 0.725 nan 8.310 nan 0.000 0.470 115 E N 0.733 120.981 120.200 0.081 0.000 2.110 115 E HA -0.112 4.240 4.350 0.003 0.000 0.193 115 E C 1.587 178.362 176.600 0.291 0.000 0.988 115 E CA 1.448 57.929 56.400 0.136 0.000 0.804 115 E CB -0.061 29.648 29.700 0.014 0.000 0.745 115 E HN 0.366 nan 8.360 nan 0.000 0.458 116 T N 0.247 114.919 114.554 0.197 0.000 2.746 116 T HA -0.191 4.161 4.350 0.003 0.000 0.267 116 T C 2.012 176.777 174.700 0.107 0.000 1.039 116 T CA 1.394 63.589 62.100 0.158 0.000 1.142 116 T CB -0.277 68.644 68.868 0.089 0.000 0.866 116 T HN 0.106 nan 8.240 nan 0.000 0.444 117 S N 0.623 116.374 115.700 0.085 0.000 2.383 117 S HA -0.160 4.312 4.470 0.003 0.000 0.229 117 S C 1.987 176.628 174.600 0.068 0.000 1.030 117 S CA 1.513 59.746 58.200 0.055 0.000 1.002 117 S CB -0.222 63.003 63.200 0.041 0.000 0.829 117 S HN 0.521 nan 8.310 nan 0.000 0.467 118 E N 0.761 121.036 120.200 0.126 0.000 2.047 118 E HA 0.074 4.426 4.350 0.003 0.000 0.191 118 E C 2.400 179.062 176.600 0.103 0.000 0.987 118 E CA 1.091 57.577 56.400 0.143 0.000 0.799 118 E CB -0.415 29.426 29.700 0.235 0.000 0.752 118 E HN 0.589 nan 8.360 nan 0.000 0.449 119 A N 0.642 123.519 122.820 0.095 0.000 1.908 119 A HA -0.156 4.165 4.320 0.003 0.000 0.218 119 A C 2.072 179.593 177.584 -0.105 0.000 1.181 119 A CA 1.143 53.073 52.037 -0.179 0.000 0.627 119 A CB -0.580 18.217 19.000 -0.338 0.000 0.818 119 A HN 0.197 nan 8.150 nan 0.000 0.445 120 L N 0.280 121.480 121.223 -0.037 0.000 2.478 120 L HA -0.031 4.311 4.340 0.003 0.000 0.223 120 L C 1.941 178.786 176.870 -0.042 0.000 1.140 120 L CA 1.102 55.919 54.840 -0.038 0.000 0.842 120 L CB -0.108 41.941 42.059 -0.016 0.000 0.953 120 L HN 0.554 nan 8.230 nan 0.000 0.452 121 S N -1.070 114.613 115.700 -0.028 0.000 2.568 121 S HA 0.039 4.511 4.470 0.003 0.000 0.232 121 S C 1.730 176.313 174.600 -0.028 0.000 0.975 121 S CA -0.675 57.508 58.200 -0.029 0.000 0.949 121 S CB -0.044 63.147 63.200 -0.015 0.000 0.829 121 S HN 0.451 nan 8.310 nan 0.000 0.479 122 R N 1.034 121.512 120.500 -0.036 0.000 2.148 122 R HA 0.054 4.396 4.340 0.003 0.000 0.227 122 R C -0.241 176.039 176.300 -0.035 0.000 1.103 122 R CA 1.229 57.309 56.100 -0.035 0.000 0.983 122 R CB -0.363 29.904 30.300 -0.055 0.000 0.874 122 R HN 0.290 nan 8.270 nan 0.000 0.451 123 D N 1.197 121.573 120.400 -0.041 0.000 2.461 123 D HA 0.215 4.856 4.640 0.003 0.000 0.240 123 D C -1.822 174.456 176.300 -0.037 0.000 1.094 123 D CA -2.724 51.254 54.000 -0.037 0.000 0.868 123 D CB 1.942 42.717 40.800 -0.040 0.000 1.062 123 D HN -0.068 nan 8.370 nan 0.000 0.530 124 P HA -0.101 nan 4.420 nan 0.000 0.218 124 P C 1.054 178.335 177.300 -0.032 0.000 1.149 124 P CA 0.780 63.861 63.100 -0.031 0.000 0.817 124 P CB 0.757 32.443 31.700 -0.023 0.000 0.785 125 E N -0.585 119.598 120.200 -0.028 0.000 2.107 125 E HA -0.085 4.267 4.350 0.003 0.000 0.191 125 E C 1.821 178.403 176.600 -0.031 0.000 0.982 125 E CA 1.954 58.339 56.400 -0.026 0.000 0.809 125 E CB -0.340 29.348 29.700 -0.021 0.000 0.756 125 E HN 0.391 nan 8.360 nan 0.000 0.459 126 T N -1.112 113.421 114.554 -0.036 0.000 3.022 126 T HA 0.097 4.449 4.350 0.003 0.000 0.250 126 T C 1.034 175.697 174.700 -0.062 0.000 1.060 126 T CA -0.409 61.667 62.100 -0.041 0.000 1.013 126 T CB -0.368 68.479 68.868 -0.034 0.000 0.982 126 T HN -0.007 nan 8.240 nan 0.000 0.508 127 L N 2.649 123.830 121.223 -0.069 0.000 2.483 127 L HA 0.628 4.970 4.340 0.003 0.000 0.276 127 L C 0.013 176.794 176.870 -0.147 0.000 1.213 127 L CA -1.113 53.668 54.840 -0.098 0.000 0.843 127 L CB -0.052 41.958 42.059 -0.082 0.000 1.107 127 L HN 0.140 nan 8.230 nan 0.000 0.487 128 V N 0.001 119.770 119.914 -0.242 0.000 2.769 128 V HA 0.771 4.892 4.120 0.003 0.000 0.312 128 V C 1.132 176.979 176.094 -0.411 0.000 1.058 128 V CA -0.028 62.022 62.300 -0.417 0.000 0.952 128 V CB 0.892 32.229 31.823 -0.810 0.000 1.019 128 V HN 0.971 nan 8.190 nan 0.000 0.445 129 G N 1.312 109.897 108.800 -0.358 0.000 2.408 129 G HA2 -0.211 3.751 3.960 0.003 0.000 0.217 129 G HA3 -0.211 3.751 3.960 0.003 0.000 0.217 129 G C 1.013 175.824 174.900 -0.148 0.000 1.150 129 G CA 1.314 46.302 45.100 -0.187 0.000 0.776 129 G HN 1.147 nan 8.290 nan 0.000 0.542 130 Y N 1.683 121.978 120.300 -0.007 0.000 2.639 130 Y HA 0.067 4.618 4.550 0.003 0.000 0.297 130 Y C 2.571 178.460 175.900 -0.018 0.000 1.151 130 Y CA 0.640 58.732 58.100 -0.014 0.000 1.335 130 Y CB -0.747 37.709 38.460 -0.006 0.000 0.994 130 Y HN 0.224 nan 8.280 nan 0.000 0.548 131 S N -0.257 115.402 115.700 -0.069 0.000 2.453 131 S HA -0.223 4.249 4.470 0.003 0.000 0.231 131 S C 1.805 176.402 174.600 -0.005 0.000 1.005 131 S CA 0.973 59.165 58.200 -0.013 0.000 0.949 131 S CB -0.410 62.754 63.200 -0.061 0.000 0.774 131 S HN 0.563 nan 8.310 nan 0.000 0.510 132 M N 2.107 121.697 119.600 -0.016 0.000 2.156 132 M HA 0.120 4.602 4.480 0.003 0.000 0.264 132 M C 1.829 178.125 176.300 -0.007 0.000 1.067 132 M CA 1.330 56.623 55.300 -0.012 0.000 1.131 132 M CB -0.579 32.011 32.600 -0.017 0.000 1.368 132 M HN 0.159 nan 8.290 nan 0.000 0.416 133 V N 0.029 119.947 119.914 0.006 0.000 2.626 133 V HA -0.088 4.033 4.120 0.003 0.000 0.252 133 V C 2.215 178.291 176.094 -0.030 0.000 1.067 133 V CA 1.756 64.047 62.300 -0.014 0.000 1.081 133 V CB -1.436 30.384 31.823 -0.005 0.000 0.686 133 V HN 0.722 nan 8.190 nan 0.000 0.468 134 G N -2.662 106.130 108.800 -0.013 0.000 3.126 134 G HA2 0.001 3.963 3.960 0.003 0.000 0.224 134 G HA3 0.001 3.963 3.960 0.003 0.000 0.224 134 G C 1.057 175.927 174.900 -0.049 0.000 1.142 134 G CA 0.897 45.969 45.100 -0.046 0.000 0.759 134 G HN 0.549 nan 8.290 nan 0.000 0.550 135 C N -0.614 118.671 119.300 -0.025 0.000 3.637 135 C HA 0.282 4.744 4.460 0.003 0.000 0.439 135 C C 0.775 175.761 174.990 -0.007 0.000 1.443 135 C CA -0.795 58.214 59.018 -0.015 0.000 2.037 135 C CB -0.104 27.637 27.740 0.002 0.000 2.957 135 C HN 0.498 nan 8.230 nan 0.000 0.669 136 Q N 1.969 121.764 119.800 -0.009 0.000 2.361 136 Q HA 0.119 4.461 4.340 0.003 0.000 0.276 136 Q C 1.235 177.234 176.000 -0.001 0.000 1.022 136 Q CA 0.634 56.435 55.803 -0.003 0.000 0.898 136 Q CB 0.435 29.169 28.738 -0.006 0.000 1.246 136 Q HN 0.393 nan 8.270 nan 0.000 0.410 137 R N 2.836 123.340 120.500 0.007 0.000 2.103 137 R HA -0.248 4.094 4.340 0.003 0.000 0.242 137 R C 1.755 178.060 176.300 0.009 0.000 1.142 137 R CA 1.769 57.876 56.100 0.012 0.000 0.960 137 R CB -0.620 29.692 30.300 0.020 0.000 0.858 137 R HN 0.878 nan 8.270 nan 0.000 0.439 138 A N 0.329 123.152 122.820 0.005 0.000 1.978 138 A HA -0.169 4.153 4.320 0.003 0.000 0.220 138 A C 2.009 179.592 177.584 -0.002 0.000 1.170 138 A CA 1.315 53.352 52.037 0.001 0.000 0.636 138 A CB -0.294 18.704 19.000 -0.003 0.000 0.810 138 A HN 0.218 nan 8.150 nan 0.000 0.448 139 M N -0.857 118.739 119.600 -0.008 0.000 2.374 139 M HA -0.058 4.424 4.480 0.003 0.000 0.264 139 M C 1.822 178.119 176.300 -0.004 0.000 1.067 139 M CA 0.951 56.243 55.300 -0.013 0.000 1.103 139 M CB -1.121 31.460 32.600 -0.032 0.000 1.402 139 M HN 0.352 nan 8.290 nan 0.000 0.444 140 M N -0.429 119.170 119.600 -0.002 0.000 2.267 140 M HA -0.106 4.376 4.480 0.003 0.000 0.263 140 M C 2.157 178.476 176.300 0.031 0.000 1.063 140 M CA 1.613 56.916 55.300 0.004 0.000 1.090 140 M CB -1.487 31.119 32.600 0.010 0.000 1.392 140 M HN 0.309 nan 8.290 nan 0.000 0.422 141 A N 0.053 122.891 122.820 0.031 0.000 1.920 141 A HA 0.022 4.343 4.320 0.003 0.000 0.209 141 A C 1.931 179.552 177.584 0.063 0.000 1.229 141 A CA 0.730 52.792 52.037 0.041 0.000 0.671 141 A CB -0.645 18.350 19.000 -0.008 0.000 0.886 141 A HN 0.510 nan 8.150 nan 0.000 0.461 142 N N -0.330 118.395 118.700 0.041 0.000 2.149 142 N HA -0.146 4.596 4.740 0.003 0.000 0.188 142 N C 1.787 177.370 175.510 0.122 0.000 1.019 142 N CA 0.860 53.947 53.050 0.061 0.000 0.857 142 N CB -0.097 38.404 38.487 0.022 0.000 0.997 142 N HN 0.218 nan 8.380 nan 0.000 0.426 143 R N 1.033 121.592 120.500 0.098 0.000 2.115 143 R HA -0.011 4.331 4.340 0.003 0.000 0.230 143 R C 2.122 178.578 176.300 0.261 0.000 1.111 143 R CA 0.596 56.783 56.100 0.145 0.000 0.976 143 R CB -0.661 29.664 30.300 0.042 0.000 0.870 143 R HN 0.378 nan 8.270 nan 0.000 0.445 144 L N -0.032 121.343 121.223 0.253 0.000 2.027 144 L HA -0.088 4.254 4.340 0.003 0.000 0.206 144 L C 2.299 179.414 176.870 0.407 0.000 1.074 144 L CA 1.195 56.287 54.840 0.420 0.000 0.745 144 L CB -0.616 41.671 42.059 0.380 0.000 0.898 144 L HN 0.070 nan 8.230 nan 0.000 0.433 145 S N 0.061 115.934 115.700 0.289 0.000 2.382 145 S HA -0.181 4.291 4.470 0.003 0.000 0.228 145 S C 1.767 176.453 174.600 0.144 0.000 1.027 145 S CA 1.339 59.678 58.200 0.232 0.000 0.991 145 S CB -0.398 62.912 63.200 0.183 0.000 0.823 145 S HN 0.341 nan 8.310 nan 0.000 0.469 146 F N 1.663 121.646 119.950 0.054 0.000 2.051 146 F HA -0.099 4.429 4.527 0.003 0.000 0.296 146 F C 1.923 177.698 175.800 -0.041 0.000 1.122 146 F CA 1.348 59.356 58.000 0.013 0.000 1.201 146 F CB -0.625 38.394 39.000 0.032 0.000 0.978 146 F HN 0.216 nan 8.300 nan 0.000 0.472 147 F N 0.082 119.946 119.950 -0.144 0.000 2.102 147 F HA -0.174 4.355 4.527 0.003 0.000 0.298 147 F C 1.755 177.204 175.800 -0.584 0.000 1.105 147 F CA 1.665 59.421 58.000 -0.407 0.000 1.239 147 F CB -0.947 37.875 39.000 -0.297 0.000 0.991 147 F HN -0.039 nan 8.300 nan 0.000 0.474 148 F N 0.585 120.220 119.950 -0.525 0.000 2.802 148 F HA 0.074 4.603 4.527 0.003 0.000 0.300 148 F C 0.897 176.187 175.800 -0.851 0.000 1.168 148 F CA 0.891 58.358 58.000 -0.888 0.000 1.433 148 F CB -0.878 37.270 39.000 -1.421 0.000 1.115 148 F HN -0.024 nan 8.300 nan 0.000 0.582 149 D N -0.055 120.068 120.400 -0.461 0.000 2.699 149 D HA -0.244 4.397 4.640 0.003 0.000 0.239 149 D C -0.871 175.443 176.300 0.023 0.000 1.136 149 D CA 0.343 54.202 54.000 -0.235 0.000 0.668 149 D CB -1.436 39.224 40.800 -0.234 0.000 1.060 149 D HN -0.052 nan 8.370 nan 0.000 0.429 150 F N 0.100 120.070 119.950 0.035 0.000 2.404 150 F HA 0.438 4.967 4.527 0.003 0.000 0.345 150 F C 1.883 177.655 175.800 -0.047 0.000 1.110 150 F CA -0.745 57.258 58.000 0.006 0.000 1.130 150 F CB 1.168 40.180 39.000 0.020 0.000 1.129 150 F HN -0.061 nan 8.300 nan 0.000 0.500 151 R N 1.278 121.836 120.500 0.097 0.000 2.437 151 R HA 0.237 4.578 4.340 0.003 0.000 0.257 151 R C 0.913 176.999 176.300 -0.357 0.000 0.927 151 R CA -0.050 56.028 56.100 -0.036 0.000 1.078 151 R CB 0.489 30.824 30.300 0.058 0.000 1.161 151 R HN 0.768 nan 8.270 nan 0.000 0.529 152 G N 2.510 110.989 108.800 -0.535 0.000 2.553 152 G HA2 0.260 4.222 3.960 0.003 0.000 0.278 152 G HA3 0.260 4.222 3.960 0.003 0.000 0.278 152 G C -2.371 172.247 174.900 -0.470 0.000 1.349 152 G CA -0.879 43.674 45.100 -0.912 0.000 1.037 152 G HN -0.104 nan 8.290 nan 0.000 0.508 153 P HA 0.202 nan 4.420 nan 0.000 0.267 153 P C -0.502 176.453 177.300 -0.574 0.000 1.200 153 P CA 0.169 63.025 63.100 -0.406 0.000 0.772 153 P CB 1.134 32.594 31.700 -0.400 0.000 0.855 154 S N 2.360 117.814 115.700 -0.410 0.000 2.652 154 S HA 0.598 5.070 4.470 0.003 0.000 0.252 154 S C -0.991 173.450 174.600 -0.265 0.000 1.219 154 S CA -0.559 57.448 58.200 -0.322 0.000 1.151 154 S CB -0.633 62.489 63.200 -0.129 0.000 1.080 154 S HN 0.220 nan 8.310 nan 0.000 0.481 155 I N 3.172 123.532 120.570 -0.349 0.000 2.619 155 I HA 0.637 4.808 4.170 0.003 0.000 0.292 155 I C -0.148 175.938 176.117 -0.052 0.000 1.100 155 I CA -0.984 60.207 61.300 -0.182 0.000 1.043 155 I CB 2.165 40.047 38.000 -0.197 0.000 1.239 155 I HN 0.629 nan 8.210 nan 0.000 0.420 156 A N 6.755 129.580 122.820 0.008 0.000 2.304 156 A HA 0.892 5.214 4.320 0.003 0.000 0.323 156 A C -0.848 176.780 177.584 0.074 0.000 1.195 156 A CA -0.404 51.661 52.037 0.048 0.000 0.826 156 A CB 0.821 19.841 19.000 0.032 0.000 1.184 156 A HN 0.618 nan 8.150 nan 0.000 0.496 157 L N -0.381 120.902 121.223 0.100 0.000 2.371 157 L HA 0.907 5.249 4.340 0.003 0.000 0.262 157 L C -0.939 175.976 176.870 0.075 0.000 1.006 157 L CA -0.685 54.213 54.840 0.097 0.000 0.818 157 L CB 2.132 44.274 42.059 0.138 0.000 1.354 157 L HN 0.391 nan 8.230 nan 0.000 0.415 158 D N 0.838 121.272 120.400 0.056 0.000 2.505 158 D HA 0.444 5.086 4.640 0.003 0.000 0.250 158 D C -0.264 176.047 176.300 0.019 0.000 1.164 158 D CA 0.039 54.063 54.000 0.041 0.000 0.870 158 D CB 1.886 42.708 40.800 0.037 0.000 1.160 158 D HN 0.852 nan 8.370 nan 0.000 0.549 159 T N 1.229 115.789 114.554 0.011 0.000 3.380 159 T HA 0.625 4.977 4.350 0.003 0.000 0.289 159 T C 0.881 175.549 174.700 -0.054 0.000 1.012 159 T CA 0.475 62.561 62.100 -0.023 0.000 0.944 159 T CB 0.067 68.934 68.868 -0.003 0.000 1.172 159 T HN 0.633 nan 8.240 nan 0.000 0.502 160 A N 0.761 123.555 122.820 -0.043 0.000 5.369 160 A HA -0.293 4.029 4.320 0.003 0.000 0.298 160 A C 1.967 179.593 177.584 0.070 0.000 2.000 160 A CA 1.000 53.028 52.037 -0.015 0.000 0.716 160 A CB -2.083 16.740 19.000 -0.294 0.000 1.248 160 A HN 0.958 nan 8.150 nan 0.000 0.365 161 C N 0.481 119.859 119.300 0.130 0.000 2.411 161 C HA 0.080 4.542 4.460 0.003 0.000 0.279 161 C C 3.021 178.094 174.990 0.138 0.000 1.288 161 C CA 1.863 60.998 59.018 0.196 0.000 1.764 161 C CB -1.745 26.225 27.740 0.383 0.000 1.974 161 C HN 1.434 nan 8.230 nan 0.000 0.498 162 S N 0.641 116.379 115.700 0.064 0.000 2.603 162 S HA -0.001 4.470 4.470 0.003 0.000 0.220 162 S C 1.399 176.021 174.600 0.037 0.000 0.967 162 S CA 0.793 59.011 58.200 0.029 0.000 0.920 162 S CB -0.416 62.791 63.200 0.011 0.000 0.773 162 S HN 0.570 nan 8.310 nan 0.000 0.529 163 S N 3.079 118.808 115.700 0.048 0.000 2.368 163 S HA -0.193 4.279 4.470 0.003 0.000 0.226 163 S C 2.358 176.992 174.600 0.058 0.000 1.044 163 S CA 1.942 60.174 58.200 0.053 0.000 1.062 163 S CB -0.791 62.445 63.200 0.060 0.000 0.931 163 S HN 0.930 nan 8.310 nan 0.000 0.440 164 S N 1.039 116.773 115.700 0.056 0.000 2.423 164 S HA 0.036 4.508 4.470 0.003 0.000 0.231 164 S C 1.735 176.356 174.600 0.036 0.000 1.014 164 S CA 0.672 58.905 58.200 0.055 0.000 0.965 164 S CB -0.371 62.860 63.200 0.051 0.000 0.785 164 S HN 0.265 nan 8.310 nan 0.000 0.495 165 L N 0.351 121.587 121.223 0.020 0.000 2.240 165 L HA 0.361 4.703 4.340 0.003 0.000 0.211 165 L C 2.411 179.274 176.870 -0.013 0.000 1.106 165 L CA 1.294 56.131 54.840 -0.006 0.000 0.793 165 L CB -0.742 41.304 42.059 -0.023 0.000 0.927 165 L HN 0.382 nan 8.230 nan 0.000 0.446 166 M N -0.727 118.876 119.600 0.005 0.000 2.132 166 M HA -0.070 4.411 4.480 0.003 0.000 0.263 166 M C 2.205 178.492 176.300 -0.022 0.000 1.065 166 M CA 1.932 57.232 55.300 0.001 0.000 1.122 166 M CB -0.541 32.075 32.600 0.026 0.000 1.365 166 M HN 0.199 nan 8.290 nan 0.000 0.411 167 A N -0.098 122.734 122.820 0.021 0.000 1.908 167 A HA -0.161 4.161 4.320 0.003 0.000 0.218 167 A C 2.171 179.697 177.584 -0.098 0.000 1.181 167 A CA 1.922 53.984 52.037 0.042 0.000 0.627 167 A CB -1.237 17.859 19.000 0.160 0.000 0.818 167 A HN 0.577 nan 8.150 nan 0.000 0.445 168 L N -0.712 120.481 121.223 -0.050 0.000 2.083 168 L HA -0.189 4.153 4.340 0.003 0.000 0.209 168 L C 2.539 179.346 176.870 -0.105 0.000 1.083 168 L CA 2.301 57.102 54.840 -0.065 0.000 0.752 168 L CB -0.436 41.603 42.059 -0.033 0.000 0.899 168 L HN 0.495 nan 8.230 nan 0.000 0.433 169 Q N -0.307 119.431 119.800 -0.103 0.000 2.079 169 Q HA -0.202 4.140 4.340 0.003 0.000 0.200 169 Q C 1.952 177.878 176.000 -0.122 0.000 0.974 169 Q CA 1.843 57.605 55.803 -0.069 0.000 0.840 169 Q CB -0.152 28.554 28.738 -0.053 0.000 0.898 169 Q HN 0.578 nan 8.270 nan 0.000 0.430 170 N N 0.576 119.092 118.700 -0.308 0.000 2.142 170 N HA -0.094 4.648 4.740 0.003 0.000 0.186 170 N C 1.574 176.525 175.510 -0.932 0.000 1.023 170 N CA 1.590 54.314 53.050 -0.543 0.000 0.852 170 N CB -0.484 37.607 38.487 -0.660 0.000 0.998 170 N HN 0.313 nan 8.380 nan 0.000 0.424 171 A N -0.076 122.052 122.820 -1.153 0.000 1.930 171 A HA -0.158 4.164 4.320 0.003 0.000 0.217 171 A C 2.129 179.481 177.584 -0.386 0.000 1.175 171 A CA 1.062 52.466 52.037 -1.054 0.000 0.627 171 A CB -0.981 17.707 19.000 -0.519 0.000 0.815 171 A HN 0.457 nan 8.150 nan 0.000 0.443 172 Y N 1.598 121.717 120.300 -0.303 0.000 2.128 172 Y HA -0.324 4.228 4.550 0.003 0.000 0.284 172 Y C 2.562 178.404 175.900 -0.096 0.000 1.154 172 Y CA 2.402 60.411 58.100 -0.152 0.000 1.149 172 Y CB -0.527 37.853 38.460 -0.133 0.000 0.976 172 Y HN 0.575 nan 8.280 nan 0.000 0.505 173 Q N 0.313 119.993 119.800 -0.201 0.000 2.084 173 Q HA -0.137 4.204 4.340 0.003 0.000 0.202 173 Q C 2.438 178.337 176.000 -0.170 0.000 0.978 173 Q CA 1.530 57.207 55.803 -0.209 0.000 0.844 173 Q CB -0.713 27.999 28.738 -0.042 0.000 0.898 173 Q HN 0.492 nan 8.270 nan 0.000 0.426 174 A N 1.157 123.878 122.820 -0.165 0.000 1.969 174 A HA -0.088 4.234 4.320 0.003 0.000 0.218 174 A C 2.116 179.678 177.584 -0.036 0.000 1.169 174 A CA 1.087 53.105 52.037 -0.031 0.000 0.635 174 A CB -0.508 18.555 19.000 0.106 0.000 0.810 174 A HN 0.366 nan 8.150 nan 0.000 0.445 175 I N -1.796 118.715 120.570 -0.099 0.000 2.277 175 I HA -0.177 3.995 4.170 0.003 0.000 0.243 175 I C 2.472 178.521 176.117 -0.113 0.000 1.094 175 I CA 1.515 62.771 61.300 -0.074 0.000 1.393 175 I CB -0.460 37.505 38.000 -0.059 0.000 1.078 175 I HN 0.479 nan 8.210 nan 0.000 0.417 176 H N 1.314 120.176 119.070 -0.348 0.000 2.352 176 H HA -0.174 4.384 4.556 0.003 0.000 0.299 176 H C 2.292 177.501 175.328 -0.199 0.000 1.097 176 H CA 1.936 57.766 56.048 -0.364 0.000 1.311 176 H CB -0.045 29.294 29.762 -0.705 0.000 1.377 176 H HN 0.332 nan 8.280 nan 0.000 0.504 177 S N -1.329 114.244 115.700 -0.211 0.000 2.603 177 S HA 0.157 4.629 4.470 0.003 0.000 0.220 177 S C 1.787 176.310 174.600 -0.128 0.000 0.967 177 S CA 0.459 58.550 58.200 -0.183 0.000 0.920 177 S CB -0.233 62.919 63.200 -0.080 0.000 0.773 177 S HN 0.809 nan 8.310 nan 0.000 0.529 178 G N 1.280 110.014 108.800 -0.109 0.000 2.179 178 G HA2 -0.389 3.573 3.960 0.003 0.000 0.260 178 G HA3 -0.389 3.573 3.960 0.003 0.000 0.260 178 G C 0.671 175.557 174.900 -0.025 0.000 0.977 178 G CA 0.526 45.586 45.100 -0.067 0.000 0.641 178 G HN 0.594 nan 8.290 nan 0.000 0.533 179 Q N -0.693 119.111 119.800 0.005 0.000 2.119 179 Q HA 0.068 4.410 4.340 0.003 0.000 0.201 179 Q C 0.866 176.954 176.000 0.146 0.000 0.972 179 Q CA 1.601 57.442 55.803 0.063 0.000 0.847 179 Q CB -0.011 28.794 28.738 0.111 0.000 0.903 179 Q HN 0.656 nan 8.270 nan 0.000 0.433 180 C N 0.802 120.182 119.300 0.133 0.000 2.563 180 C HA 0.399 4.861 4.460 0.003 0.000 0.314 180 C C -1.602 173.426 174.990 0.062 0.000 1.199 180 C CA -1.355 57.753 59.018 0.150 0.000 1.564 180 C CB 1.913 29.762 27.740 0.181 0.000 2.173 180 C HN 0.396 nan 8.230 nan 0.000 0.485 181 P HA 0.114 nan 4.420 nan 0.000 0.227 181 P C 0.069 177.362 177.300 -0.012 0.000 1.161 181 P CA 1.006 64.111 63.100 0.008 0.000 0.788 181 P CB 0.581 32.285 31.700 0.006 0.000 0.822 182 A N -1.024 121.780 122.820 -0.027 0.000 2.581 182 A HA 0.763 5.085 4.320 0.003 0.000 0.290 182 A C -1.773 175.775 177.584 -0.059 0.000 1.119 182 A CA -0.129 51.873 52.037 -0.057 0.000 0.670 182 A CB 1.270 20.204 19.000 -0.110 0.000 1.280 182 A HN 0.151 nan 8.150 nan 0.000 0.425 183 A N 0.064 122.853 122.820 -0.051 0.000 2.594 183 A HA 0.644 4.966 4.320 0.003 0.000 0.296 183 A C -1.641 175.951 177.584 0.013 0.000 1.061 183 A CA -0.367 51.688 52.037 0.030 0.000 0.689 183 A CB 0.864 20.018 19.000 0.256 0.000 1.280 183 A HN 0.851 nan 8.150 nan 0.000 0.406 184 I N 1.931 122.522 120.570 0.036 0.000 2.359 184 I HA 0.481 4.652 4.170 0.003 0.000 0.294 184 I C -0.447 175.779 176.117 0.182 0.000 0.987 184 I CA -0.556 60.791 61.300 0.079 0.000 1.225 184 I CB 1.302 39.353 38.000 0.086 0.000 1.366 184 I HN 0.341 nan 8.210 nan 0.000 0.466 185 V N 5.580 125.583 119.914 0.149 0.000 2.448 185 V HA 0.789 4.910 4.120 0.003 0.000 0.295 185 V C 0.403 176.571 176.094 0.124 0.000 1.025 185 V CA -0.505 61.896 62.300 0.168 0.000 0.859 185 V CB 1.733 33.624 31.823 0.114 0.000 0.988 185 V HN 0.920 nan 8.190 nan 0.000 0.431 186 G N 2.255 111.133 108.800 0.130 0.000 2.519 186 G HA2 0.756 4.718 3.960 0.003 0.000 0.307 186 G HA3 0.756 4.718 3.960 0.003 0.000 0.307 186 G C -0.566 174.382 174.900 0.080 0.000 1.266 186 G CA -0.613 44.544 45.100 0.094 0.000 0.970 186 G HN 1.060 nan 8.290 nan 0.000 0.481 187 G N -0.074 108.759 108.800 0.055 0.000 2.732 187 G HA2 0.652 4.614 3.960 0.003 0.000 0.295 187 G HA3 0.652 4.614 3.960 0.003 0.000 0.295 187 G C -0.739 174.178 174.900 0.028 0.000 1.456 187 G CA -0.603 44.524 45.100 0.044 0.000 1.050 187 G HN 1.122 nan 8.290 nan 0.000 0.525 188 I N -0.522 120.065 120.570 0.027 0.000 2.686 188 I HA 0.808 4.980 4.170 0.003 0.000 0.295 188 I C -1.457 174.671 176.117 0.017 0.000 1.114 188 I CA -1.268 60.041 61.300 0.014 0.000 1.038 188 I CB 2.923 40.929 38.000 0.010 0.000 1.238 188 I HN 0.372 nan 8.210 nan 0.000 0.420 189 N N 3.650 122.356 118.700 0.010 0.000 2.521 189 N HA 0.675 5.417 4.740 0.003 0.000 0.269 189 N C -1.585 173.934 175.510 0.015 0.000 1.079 189 N CA -0.475 52.585 53.050 0.018 0.000 0.980 189 N CB 2.464 40.956 38.487 0.009 0.000 1.667 189 N HN 0.778 nan 8.380 nan 0.000 0.498 190 V N 0.267 120.200 119.914 0.031 0.000 2.962 190 V HA 0.686 4.808 4.120 0.003 0.000 0.313 190 V C -0.776 175.359 176.094 0.068 0.000 1.099 190 V CA -0.913 61.409 62.300 0.036 0.000 0.971 190 V CB 2.037 33.883 31.823 0.037 0.000 1.028 190 V HN 0.517 nan 8.190 nan 0.000 0.430 191 L N 3.363 124.630 121.223 0.073 0.000 2.387 191 L HA 0.467 4.809 4.340 0.003 0.000 0.259 191 L C 0.457 177.465 176.870 0.230 0.000 1.050 191 L CA -0.157 54.776 54.840 0.154 0.000 0.922 191 L CB 0.981 43.099 42.059 0.098 0.000 1.280 191 L HN 0.674 nan 8.230 nan 0.000 0.449 192 L N 0.791 122.152 121.223 0.230 0.000 2.425 192 L HA 0.208 4.550 4.340 0.003 0.000 0.215 192 L C 1.049 178.072 176.870 0.255 0.000 1.065 192 L CA 0.329 55.344 54.840 0.291 0.000 0.842 192 L CB 0.173 42.406 42.059 0.291 0.000 1.033 192 L HN 0.413 nan 8.230 nan 0.000 0.474 193 K N 1.675 121.988 120.400 -0.146 0.000 2.281 193 K HA 0.218 4.540 4.320 0.003 0.000 0.272 193 K C -1.833 174.504 176.600 -0.439 0.000 1.048 193 K CA -1.863 54.050 56.287 -0.622 0.000 0.898 193 K CB 1.700 33.539 32.500 -1.103 0.000 1.128 193 K HN -0.237 nan 8.250 nan 0.000 0.460 194 P HA -0.117 nan 4.420 nan 0.000 0.220 194 P C -0.017 176.975 177.300 -0.514 0.000 1.148 194 P CA 1.153 63.532 63.100 -1.201 0.000 0.803 194 P CB 0.181 31.136 31.700 -1.242 0.000 0.782 195 N N -0.415 118.085 118.700 -0.334 0.000 2.149 195 N HA -0.124 4.618 4.740 0.003 0.000 0.188 195 N C 1.666 177.042 175.510 -0.225 0.000 1.019 195 N CA 1.789 54.682 53.050 -0.262 0.000 0.857 195 N CB -1.663 36.688 38.487 -0.226 0.000 0.997 195 N HN 0.160 nan 8.380 nan 0.000 0.426 196 T N -0.147 114.282 114.554 -0.207 0.000 2.720 196 T HA -0.083 4.269 4.350 0.003 0.000 0.268 196 T C 2.023 176.709 174.700 -0.025 0.000 1.037 196 T CA 1.389 63.413 62.100 -0.127 0.000 1.144 196 T CB -0.398 68.447 68.868 -0.038 0.000 0.864 196 T HN 0.189 nan 8.240 nan 0.000 0.444 197 S N 0.675 116.390 115.700 0.025 0.000 2.402 197 S HA -0.057 4.415 4.470 0.003 0.000 0.229 197 S C 2.287 176.917 174.600 0.049 0.000 1.021 197 S CA 0.573 58.857 58.200 0.141 0.000 0.974 197 S CB -0.389 62.903 63.200 0.154 0.000 0.800 197 S HN 0.289 nan 8.310 nan 0.000 0.484 198 V N 1.721 121.596 119.914 -0.065 0.000 2.358 198 V HA -0.220 3.902 4.120 0.003 0.000 0.246 198 V C 2.448 178.479 176.094 -0.103 0.000 1.047 198 V CA 1.591 63.841 62.300 -0.084 0.000 1.035 198 V CB -0.727 31.003 31.823 -0.155 0.000 0.658 198 V HN 0.470 nan 8.190 nan 0.000 0.452 199 Q N -0.837 118.862 119.800 -0.169 0.000 2.077 199 Q HA -0.225 4.117 4.340 0.003 0.000 0.206 199 Q C 2.176 178.032 176.000 -0.241 0.000 0.989 199 Q CA 2.151 57.803 55.803 -0.252 0.000 0.853 199 Q CB -0.253 28.250 28.738 -0.392 0.000 0.907 199 Q HN 0.605 nan 8.270 nan 0.000 0.418 200 F N 0.020 119.901 119.950 -0.115 0.000 2.186 200 F HA -0.170 4.359 4.527 0.003 0.000 0.299 200 F C 2.046 177.753 175.800 -0.154 0.000 1.090 200 F CA 0.616 58.524 58.000 -0.154 0.000 1.307 200 F CB -0.525 38.373 39.000 -0.170 0.000 1.019 200 F HN 0.113 nan 8.300 nan 0.000 0.489 201 L N 0.535 121.792 121.223 0.056 0.000 2.012 201 L HA -0.182 4.160 4.340 0.003 0.000 0.210 201 L C 2.367 179.225 176.870 -0.019 0.000 1.073 201 L CA 1.855 56.694 54.840 -0.002 0.000 0.748 201 L CB -0.619 41.440 42.059 -0.001 0.000 0.891 201 L HN -0.028 nan 8.230 nan 0.000 0.431 202 R N -1.060 119.418 120.500 -0.036 0.000 2.189 202 R HA -0.038 4.304 4.340 0.003 0.000 0.223 202 R C 2.176 178.454 176.300 -0.036 0.000 1.092 202 R CA 1.019 57.093 56.100 -0.043 0.000 0.989 202 R CB -0.261 30.001 30.300 -0.062 0.000 0.876 202 R HN 0.396 nan 8.270 nan 0.000 0.457 203 L N -0.872 120.330 121.223 -0.036 0.000 2.478 203 L HA 0.074 4.415 4.340 0.003 0.000 0.223 203 L C 1.029 177.897 176.870 -0.004 0.000 1.140 203 L CA 0.661 55.487 54.840 -0.023 0.000 0.842 203 L CB 0.153 42.193 42.059 -0.031 0.000 0.953 203 L HN 0.507 nan 8.230 nan 0.000 0.452 204 G N -0.681 108.112 108.800 -0.011 0.000 2.132 204 G HA2 -0.321 3.640 3.960 0.003 0.000 0.234 204 G HA3 -0.321 3.640 3.960 0.003 0.000 0.234 204 G C 0.703 175.585 174.900 -0.030 0.000 0.989 204 G CA 0.488 45.579 45.100 -0.015 0.000 0.676 204 G HN 0.294 nan 8.290 nan 0.000 0.522 205 M N -0.442 119.126 119.600 -0.053 0.000 2.510 205 M HA 0.343 4.825 4.480 0.003 0.000 0.256 205 M C 1.075 177.158 176.300 -0.363 0.000 1.132 205 M CA 0.759 55.982 55.300 -0.128 0.000 1.105 205 M CB 0.234 32.793 32.600 -0.069 0.000 1.375 205 M HN 0.165 nan 8.290 nan 0.000 0.477 206 L N 0.256 121.292 121.223 -0.312 0.000 2.292 206 L HA 0.265 4.607 4.340 0.003 0.000 0.284 206 L C 0.495 177.259 176.870 -0.176 0.000 1.065 206 L CA -0.555 54.077 54.840 -0.348 0.000 0.806 206 L CB 1.356 43.274 42.059 -0.236 0.000 1.175 206 L HN -0.031 nan 8.230 nan 0.000 0.431 207 S N 3.562 119.171 115.700 -0.152 0.000 2.510 207 S HA 0.179 4.651 4.470 0.003 0.000 0.279 207 S C -1.470 173.093 174.600 -0.063 0.000 1.284 207 S CA -1.187 56.964 58.200 -0.082 0.000 1.059 207 S CB 0.947 64.106 63.200 -0.069 0.000 0.901 207 S HN 0.385 nan 8.310 nan 0.000 0.491 208 P HA -0.047 nan 4.420 nan 0.000 0.219 208 P C 0.399 177.685 177.300 -0.024 0.000 1.146 208 P CA 0.939 64.024 63.100 -0.026 0.000 0.808 208 P CB 0.114 31.804 31.700 -0.018 0.000 0.779 209 E N -1.185 118.994 120.200 -0.036 0.000 2.502 209 E HA 0.221 4.573 4.350 0.003 0.000 0.194 209 E C 1.236 177.805 176.600 -0.051 0.000 1.062 209 E CA 0.405 56.780 56.400 -0.042 0.000 0.867 209 E CB -1.090 28.576 29.700 -0.056 0.000 0.888 209 E HN 0.088 nan 8.360 nan 0.000 0.510 210 G N 1.203 109.976 108.800 -0.045 0.000 2.390 210 G HA2 -0.298 3.664 3.960 0.003 0.000 0.299 210 G HA3 -0.298 3.664 3.960 0.003 0.000 0.299 210 G C -0.023 174.842 174.900 -0.059 0.000 1.002 210 G CA 0.940 46.018 45.100 -0.038 0.000 0.979 210 G HN 0.227 nan 8.290 nan 0.000 0.513 211 T N -0.996 113.500 114.554 -0.096 0.000 2.912 211 T HA 0.409 4.760 4.350 0.003 0.000 0.299 211 T C -0.065 174.561 174.700 -0.123 0.000 1.052 211 T CA -0.432 61.565 62.100 -0.172 0.000 0.996 211 T CB 1.929 70.567 68.868 -0.384 0.000 1.070 211 T HN 0.295 nan 8.240 nan 0.000 0.465 212 C N 3.722 122.967 119.300 -0.092 0.000 2.135 212 C HA 0.294 4.755 4.460 0.003 0.000 0.345 212 C C 1.107 176.036 174.990 -0.101 0.000 1.067 212 C CA -0.855 58.121 59.018 -0.069 0.000 1.517 212 C CB -1.445 26.255 27.740 -0.067 0.000 1.923 212 C HN 0.758 nan 8.230 nan 0.000 0.466 213 K N 2.403 122.743 120.400 -0.099 0.000 2.751 213 K HA 0.292 4.613 4.320 0.003 0.000 0.252 213 K C 0.765 177.315 176.600 -0.084 0.000 1.277 213 K CA -0.052 56.202 56.287 -0.055 0.000 1.226 213 K CB 0.067 32.550 32.500 -0.029 0.000 1.658 213 K HN 0.790 nan 8.250 nan 0.000 0.303 214 A N 1.311 123.980 122.820 -0.251 0.000 2.584 214 A HA 0.008 4.330 4.320 0.003 0.000 0.239 214 A C 0.350 177.631 177.584 -0.505 0.000 1.043 214 A CA 0.263 51.931 52.037 -0.616 0.000 0.756 214 A CB -0.684 17.627 19.000 -1.148 0.000 0.963 214 A HN 0.665 nan 8.150 nan 0.000 0.511 215 F N -1.006 118.971 119.950 0.044 0.000 2.825 215 F HA -0.197 4.333 4.527 0.005 0.000 0.358 215 F C 0.456 176.429 175.800 0.287 0.000 0.639 215 F CA 0.938 58.992 58.000 0.090 0.000 1.153 215 F CB -2.271 36.673 39.000 -0.093 0.000 1.610 215 F HN 0.732 nan 8.300 nan 0.000 0.305 216 D N 0.705 121.319 120.400 0.358 0.000 2.225 216 D HA 0.277 4.919 4.640 0.003 0.000 0.249 216 D C 1.181 177.559 176.300 0.130 0.000 1.052 216 D CA 0.584 54.727 54.000 0.239 0.000 0.909 216 D CB 1.778 42.662 40.800 0.141 0.000 1.186 216 D HN 0.065 nan 8.370 nan 0.000 0.431 217 T N 2.232 116.834 114.554 0.080 0.000 2.803 217 T HA -0.129 4.223 4.350 0.003 0.000 0.269 217 T C 1.512 176.238 174.700 0.044 0.000 1.052 217 T CA 1.393 63.526 62.100 0.056 0.000 1.136 217 T CB -0.005 68.882 68.868 0.030 0.000 0.864 217 T HN 0.527 nan 8.240 nan 0.000 0.467 218 A N 1.253 124.098 122.820 0.041 0.000 2.238 218 A HA 0.463 4.784 4.320 0.003 0.000 0.208 218 A C 1.486 179.082 177.584 0.021 0.000 1.177 218 A CA 0.134 52.189 52.037 0.029 0.000 0.804 218 A CB -0.649 18.371 19.000 0.034 0.000 0.823 218 A HN 0.458 nan 8.150 nan 0.000 0.482 219 G N 1.326 110.145 108.800 0.031 0.000 2.254 219 G HA2 0.277 4.239 3.960 0.003 0.000 0.253 219 G HA3 0.277 4.239 3.960 0.003 0.000 0.253 219 G C 0.140 175.047 174.900 0.012 0.000 1.246 219 G CA 0.252 45.361 45.100 0.016 0.000 0.946 219 G HN 0.580 nan 8.290 nan 0.000 0.474 220 N N 1.558 120.256 118.700 -0.002 0.000 2.475 220 N HA 0.415 5.157 4.740 0.003 0.000 0.272 220 N C 0.378 175.879 175.510 -0.014 0.000 1.482 220 N CA 0.085 53.133 53.050 -0.003 0.000 0.863 220 N CB 0.593 39.075 38.487 -0.007 0.000 1.400 220 N HN 1.172 nan 8.380 nan 0.000 0.489 221 G N 0.038 108.837 108.800 -0.003 0.000 2.354 221 G HA2 0.178 4.140 3.960 0.003 0.000 0.582 221 G HA3 0.178 4.140 3.960 0.003 0.000 0.582 221 G C -1.641 173.273 174.900 0.022 0.000 1.316 221 G CA -0.676 44.416 45.100 -0.013 0.000 0.995 221 G HN 0.428 nan 8.290 nan 0.000 0.573 222 Y N -1.837 118.437 120.300 -0.044 0.000 2.602 222 Y HA 0.801 5.353 4.550 0.003 0.000 0.330 222 Y C 0.469 176.341 175.900 -0.045 0.000 1.114 222 Y CA -1.505 56.568 58.100 -0.046 0.000 1.182 222 Y CB 1.329 39.789 38.460 0.000 0.000 1.305 222 Y HN 1.107 nan 8.280 nan 0.000 0.502 223 C N 3.844 123.283 119.300 0.232 0.000 2.295 223 C HA 0.588 5.050 4.460 0.003 0.000 0.331 223 C C -0.049 175.093 174.990 0.253 0.000 1.280 223 C CA -0.709 58.385 59.018 0.127 0.000 1.746 223 C CB -0.459 27.320 27.740 0.066 0.000 2.328 223 C HN 0.990 nan 8.230 nan 0.000 0.521 224 R N 4.291 124.882 120.500 0.151 0.000 2.490 224 R HA 0.525 4.867 4.340 0.003 0.000 0.280 224 R C 0.033 176.376 176.300 0.073 0.000 1.077 224 R CA 0.094 56.278 56.100 0.140 0.000 1.065 224 R CB 1.056 31.415 30.300 0.098 0.000 1.003 224 R HN 0.836 nan 8.270 nan 0.000 0.470 225 S N 0.792 116.516 115.700 0.040 0.000 2.685 225 S HA 0.322 4.794 4.470 0.003 0.000 0.282 225 S C -1.008 173.593 174.600 0.001 0.000 1.159 225 S CA -0.995 57.216 58.200 0.019 0.000 0.833 225 S CB 2.195 65.415 63.200 0.032 0.000 1.151 225 S HN 0.493 nan 8.310 nan 0.000 0.485 226 E N -0.287 119.907 120.200 -0.009 0.000 2.232 226 E HA 0.726 5.078 4.350 0.003 0.000 0.264 226 E C -0.353 176.231 176.600 -0.026 0.000 0.973 226 E CA -1.092 55.300 56.400 -0.014 0.000 0.849 226 E CB 1.825 31.514 29.700 -0.018 0.000 1.198 226 E HN 0.750 nan 8.360 nan 0.000 0.407 227 G N -0.194 108.588 108.800 -0.029 0.000 2.691 227 G HA2 0.419 4.381 3.960 0.003 0.000 0.298 227 G HA3 0.419 4.381 3.960 0.003 0.000 0.298 227 G C -1.681 173.198 174.900 -0.035 0.000 1.471 227 G CA -0.481 44.589 45.100 -0.050 0.000 0.912 227 G HN 0.282 nan 8.290 nan 0.000 0.553 228 V N 1.519 121.407 119.914 -0.043 0.000 2.488 228 V HA 0.658 4.779 4.120 0.003 0.000 0.293 228 V C -0.370 175.712 176.094 -0.020 0.000 1.027 228 V CA -0.632 61.655 62.300 -0.021 0.000 0.862 228 V CB 1.390 33.204 31.823 -0.016 0.000 1.008 228 V HN 0.759 nan 8.190 nan 0.000 0.428 229 V N 3.057 122.968 119.914 -0.005 0.000 2.789 229 V HA 0.980 5.102 4.120 0.003 0.000 0.311 229 V C -0.028 176.086 176.094 0.034 0.000 1.073 229 V CA -0.548 61.753 62.300 0.001 0.000 0.921 229 V CB 2.092 33.902 31.823 -0.022 0.000 1.009 229 V HN 0.986 nan 8.190 nan 0.000 0.426 230 A N 2.999 125.849 122.820 0.050 0.000 2.449 230 A HA 0.945 5.267 4.320 0.003 0.000 0.302 230 A C -1.481 176.142 177.584 0.064 0.000 1.048 230 A CA -0.609 51.469 52.037 0.069 0.000 0.708 230 A CB 2.159 21.213 19.000 0.090 0.000 1.274 230 A HN 0.730 nan 8.150 nan 0.000 0.410 231 V N 1.883 121.837 119.914 0.065 0.000 2.789 231 V HA 0.541 4.663 4.120 0.003 0.000 0.311 231 V C -1.163 174.970 176.094 0.065 0.000 1.073 231 V CA -0.568 61.770 62.300 0.063 0.000 0.921 231 V CB 1.920 33.772 31.823 0.047 0.000 1.009 231 V HN 0.939 nan 8.190 nan 0.000 0.426 232 L N 5.407 126.671 121.223 0.068 0.000 2.272 232 L HA 0.693 5.035 4.340 0.003 0.000 0.289 232 L C -1.124 175.777 176.870 0.050 0.000 1.032 232 L CA 0.130 54.996 54.840 0.043 0.000 0.810 232 L CB 1.153 43.230 42.059 0.030 0.000 1.205 232 L HN 0.506 nan 8.230 nan 0.000 0.422 233 L N 4.528 125.772 121.223 0.035 0.000 2.334 233 L HA 0.831 5.173 4.340 0.003 0.000 0.276 233 L C 0.197 177.076 176.870 0.016 0.000 1.014 233 L CA 0.102 54.966 54.840 0.041 0.000 0.815 233 L CB 2.007 44.093 42.059 0.045 0.000 1.268 233 L HN 0.879 nan 8.230 nan 0.000 0.428 234 T N -0.530 114.035 114.554 0.019 0.000 2.816 234 T HA 0.539 4.890 4.350 0.003 0.000 0.299 234 T C -0.821 173.886 174.700 0.012 0.000 1.230 234 T CA -1.094 61.006 62.100 0.001 0.000 1.007 234 T CB 1.493 70.351 68.868 -0.017 0.000 1.289 234 T HN 0.573 nan 8.240 nan 0.000 0.508 235 K N 1.510 121.912 120.400 0.003 0.000 2.295 235 K HA 0.287 4.608 4.320 0.003 0.000 0.270 235 K C 1.195 177.801 176.600 0.010 0.000 1.011 235 K CA -0.804 55.488 56.287 0.009 0.000 0.953 235 K CB 1.023 33.521 32.500 -0.003 0.000 0.956 235 K HN 0.774 nan 8.250 nan 0.000 0.477 236 K N 1.313 121.725 120.400 0.020 0.000 2.077 236 K HA -0.285 4.037 4.320 0.003 0.000 0.213 236 K C 2.003 178.609 176.600 0.010 0.000 1.051 236 K CA 2.543 58.842 56.287 0.020 0.000 0.929 236 K CB -0.320 32.197 32.500 0.028 0.000 0.715 236 K HN 0.841 nan 8.250 nan 0.000 0.451 237 S N 0.117 115.822 115.700 0.007 0.000 2.419 237 S HA -0.135 4.337 4.470 0.003 0.000 0.233 237 S C 1.728 176.323 174.600 -0.009 0.000 1.016 237 S CA 0.954 59.156 58.200 0.004 0.000 0.974 237 S CB -0.168 63.033 63.200 0.003 0.000 0.786 237 S HN 0.208 nan 8.310 nan 0.000 0.492 238 L N 1.264 122.475 121.223 -0.019 0.000 2.509 238 L HA 0.465 4.806 4.340 0.003 0.000 0.222 238 L C 1.371 178.200 176.870 -0.067 0.000 1.123 238 L CA 0.198 55.015 54.840 -0.037 0.000 0.856 238 L CB -1.068 40.971 42.059 -0.032 0.000 0.985 238 L HN 0.424 nan 8.230 nan 0.000 0.456 239 A N -0.676 122.110 122.820 -0.058 0.000 2.388 239 A HA 0.387 4.708 4.320 0.003 0.000 0.257 239 A C 1.120 178.609 177.584 -0.159 0.000 1.095 239 A CA -0.256 51.728 52.037 -0.087 0.000 0.791 239 A CB 0.449 19.421 19.000 -0.045 0.000 1.029 239 A HN 0.197 nan 8.150 nan 0.000 0.489 240 R N 0.728 121.062 120.500 -0.276 0.000 2.119 240 R HA 0.140 4.482 4.340 0.003 0.000 0.202 240 R C 0.802 176.979 176.300 -0.205 0.000 1.114 240 R CA 0.272 56.016 56.100 -0.592 0.000 1.089 240 R CB 0.025 29.801 30.300 -0.874 0.000 1.000 240 R HN 0.767 nan 8.270 nan 0.000 0.487 241 R N 1.406 121.801 120.500 -0.175 0.000 2.540 241 R HA 0.416 4.758 4.340 0.003 0.000 0.287 241 R C -1.294 174.896 176.300 -0.183 0.000 0.980 241 R CA -0.237 55.767 56.100 -0.160 0.000 0.966 241 R CB 1.622 31.762 30.300 -0.266 0.000 1.106 241 R HN -0.146 nan 8.270 nan 0.000 0.480 242 V N 5.504 125.299 119.914 -0.197 0.000 2.488 242 V HA 0.192 4.314 4.120 0.003 0.000 0.293 242 V C -0.447 175.556 176.094 -0.152 0.000 1.027 242 V CA -0.583 61.646 62.300 -0.119 0.000 0.862 242 V CB 1.357 33.162 31.823 -0.031 0.000 1.008 242 V HN 0.845 nan 8.190 nan 0.000 0.428 243 Y N 3.004 123.301 120.300 -0.004 0.000 2.286 243 Y HA 0.499 5.050 4.550 0.002 0.000 0.293 243 Y C 1.223 177.112 175.900 -0.017 0.000 1.124 243 Y CA 1.064 59.153 58.100 -0.020 0.000 1.178 243 Y CB 0.360 38.812 38.460 -0.013 0.000 1.010 243 Y HN 0.717 nan 8.280 nan 0.000 0.536 244 A N -1.466 121.447 122.820 0.155 0.000 2.586 244 A HA 0.590 4.912 4.320 0.003 0.000 0.291 244 A C -0.932 176.693 177.584 0.069 0.000 1.062 244 A CA -0.731 51.359 52.037 0.088 0.000 0.666 244 A CB 0.413 19.463 19.000 0.085 0.000 1.281 244 A HN -0.118 nan 8.150 nan 0.000 0.421 245 T N 1.553 116.134 114.554 0.044 0.000 2.829 245 T HA 0.540 4.892 4.350 0.003 0.000 0.282 245 T C -0.024 174.691 174.700 0.025 0.000 0.990 245 T CA -0.047 62.080 62.100 0.044 0.000 1.028 245 T CB 0.485 69.375 68.868 0.038 0.000 0.951 245 T HN 0.416 nan 8.240 nan 0.000 0.460 246 I N 4.326 124.916 120.570 0.034 0.000 2.322 246 I HA 0.137 4.309 4.170 0.003 0.000 0.292 246 I C 1.257 177.336 176.117 -0.062 0.000 1.060 246 I CA -0.181 61.087 61.300 -0.053 0.000 1.309 246 I CB 0.682 38.627 38.000 -0.092 0.000 1.415 246 I HN 0.591 nan 8.210 nan 0.000 0.492 247 L N 5.091 126.257 121.223 -0.094 0.000 2.179 247 L HA 0.078 4.419 4.340 0.003 0.000 0.208 247 L C 0.639 177.436 176.870 -0.121 0.000 1.096 247 L CA 0.866 55.671 54.840 -0.058 0.000 0.779 247 L CB -0.268 41.765 42.059 -0.042 0.000 0.922 247 L HN 0.673 nan 8.230 nan 0.000 0.443 248 N N -1.102 117.431 118.700 -0.278 0.000 2.935 248 N HA 0.563 5.305 4.740 0.003 0.000 0.248 248 N C -1.979 173.221 175.510 -0.517 0.000 1.276 248 N CA -0.030 52.795 53.050 -0.374 0.000 0.906 248 N CB 1.926 40.355 38.487 -0.096 0.000 1.564 248 N HN -0.035 nan 8.380 nan 0.000 0.500 249 A N 0.390 122.862 122.820 -0.580 0.000 2.488 249 A HA 0.893 5.215 4.320 0.003 0.000 0.298 249 A C -0.476 177.027 177.584 -0.135 0.000 1.044 249 A CA 0.035 51.841 52.037 -0.385 0.000 0.693 249 A CB 1.312 19.980 19.000 -0.553 0.000 1.272 249 A HN 0.821 nan 8.150 nan 0.000 0.402 250 G N -0.600 108.176 108.800 -0.039 0.000 2.660 250 G HA2 0.747 4.708 3.960 0.003 0.000 0.290 250 G HA3 0.747 4.708 3.960 0.003 0.000 0.290 250 G C -1.050 173.872 174.900 0.037 0.000 1.432 250 G CA 0.190 45.299 45.100 0.015 0.000 0.807 250 G HN 1.212 nan 8.290 nan 0.000 0.485 251 T N -0.599 113.975 114.554 0.034 0.000 2.883 251 T HA 0.687 5.039 4.350 0.003 0.000 0.301 251 T C -1.087 173.626 174.700 0.022 0.000 1.158 251 T CA -0.573 61.549 62.100 0.037 0.000 1.007 251 T CB 1.774 70.659 68.868 0.030 0.000 1.186 251 T HN 1.250 nan 8.240 nan 0.000 0.499 252 N N 0.389 119.098 118.700 0.015 0.000 3.039 252 N HA 0.586 5.328 4.740 0.003 0.000 0.257 252 N C -1.724 173.779 175.510 -0.012 0.000 1.497 252 N CA -0.600 52.447 53.050 -0.005 0.000 0.861 252 N CB 1.467 39.940 38.487 -0.022 0.000 1.479 252 N HN 0.507 nan 8.380 nan 0.000 0.547 253 T N -0.383 114.160 114.554 -0.018 0.000 2.893 253 T HA 0.316 4.668 4.350 0.003 0.000 0.293 253 T C -0.153 174.530 174.700 -0.028 0.000 1.027 253 T CA -0.427 61.661 62.100 -0.021 0.000 0.988 253 T CB 1.674 70.540 68.868 -0.004 0.000 1.043 253 T HN 0.407 nan 8.240 nan 0.000 0.461 254 D N 1.345 121.723 120.400 -0.038 0.000 2.182 254 D HA 0.095 4.737 4.640 0.003 0.000 0.201 254 D C 1.557 177.854 176.300 -0.004 0.000 0.986 254 D CA 1.970 55.948 54.000 -0.036 0.000 0.847 254 D CB -0.393 40.386 40.800 -0.035 0.000 0.942 254 D HN 0.938 nan 8.370 nan 0.000 0.467 255 G N 0.304 109.116 108.800 0.019 0.000 2.562 255 G HA2 -0.301 3.661 3.960 0.003 0.000 0.250 255 G HA3 -0.301 3.661 3.960 0.003 0.000 0.250 255 G C -0.229 174.728 174.900 0.095 0.000 1.269 255 G CA -0.197 44.940 45.100 0.062 0.000 0.919 255 G HN 0.285 nan 8.290 nan 0.000 0.574 256 F N 2.179 122.129 119.950 -0.000 0.000 2.443 256 F HA 0.670 5.199 4.527 0.003 0.000 0.353 256 F C 0.564 176.362 175.800 -0.002 0.000 1.101 256 F CA 0.001 58.002 58.000 0.001 0.000 1.226 256 F CB 0.765 39.761 39.000 -0.005 0.000 1.140 256 F HN 0.473 nan 8.300 nan 0.000 0.557 257 K N 5.379 125.150 120.400 -1.048 0.000 2.507 257 K HA 0.163 4.485 4.320 0.003 0.000 0.251 257 K C 0.430 176.375 176.600 -1.092 0.000 0.943 257 K CA -0.807 55.002 56.287 -0.796 0.000 0.794 257 K CB 1.968 34.272 32.500 -0.328 0.000 1.188 257 K HN 0.525 nan 8.250 nan 0.000 0.428 258 E N 1.477 121.226 120.200 -0.751 0.000 2.209 258 E HA -0.196 4.156 4.350 0.003 0.000 0.196 258 E C 0.869 177.263 176.600 -0.345 0.000 0.993 258 E CA 1.619 57.764 56.400 -0.425 0.000 0.819 258 E CB 0.263 29.855 29.700 -0.180 0.000 0.745 258 E HN 0.513 nan 8.360 nan 0.000 0.477 259 Q N -0.506 119.026 119.800 -0.447 0.000 2.472 259 Q HA 0.181 4.522 4.340 0.003 0.000 0.208 259 Q C 0.706 176.601 176.000 -0.175 0.000 0.958 259 Q CA 0.684 56.242 55.803 -0.408 0.000 0.932 259 Q CB 0.555 28.714 28.738 -0.965 0.000 1.007 259 Q HN 0.247 nan 8.270 nan 0.000 0.508 260 G N -1.063 107.638 108.800 -0.165 0.000 2.459 260 G HA2 -0.168 3.793 3.960 0.003 0.000 0.685 260 G HA3 -0.168 3.793 3.960 0.003 0.000 0.685 260 G C -0.046 174.865 174.900 0.018 0.000 1.303 260 G CA -0.478 44.601 45.100 -0.036 0.000 0.907 260 G HN 0.059 nan 8.290 nan 0.000 0.632 261 V N 0.257 120.206 119.914 0.057 0.000 2.594 261 V HA 0.006 4.128 4.120 0.003 0.000 0.253 261 V C 2.688 178.869 176.094 0.145 0.000 1.069 261 V CA 3.716 66.067 62.300 0.085 0.000 1.082 261 V CB -0.436 31.442 31.823 0.093 0.000 0.680 261 V HN 1.826 nan 8.190 nan 0.000 0.469 262 T N -3.052 111.618 114.554 0.192 0.000 3.144 262 T HA 0.131 4.483 4.350 0.003 0.000 0.249 262 T C 0.313 175.138 174.700 0.209 0.000 1.089 262 T CA -0.262 61.985 62.100 0.244 0.000 0.989 262 T CB -0.513 68.514 68.868 0.266 0.000 0.992 262 T HN 0.352 nan 8.240 nan 0.000 0.540 263 F N 4.901 124.878 119.950 0.045 0.000 2.445 263 F HA 0.455 4.983 4.527 0.002 0.000 0.359 263 F C -2.444 173.358 175.800 0.004 0.000 1.101 263 F CA -3.059 54.953 58.000 0.020 0.000 1.177 263 F CB 1.076 40.062 39.000 -0.023 0.000 1.110 263 F HN -0.059 nan 8.300 nan 0.000 0.522 264 P HA 0.039 nan 4.420 nan 0.000 0.281 264 P C -1.019 176.159 177.300 -0.204 0.000 1.252 264 P CA -0.284 62.676 63.100 -0.234 0.000 0.778 264 P CB 1.543 33.108 31.700 -0.224 0.000 0.895 265 S N 2.272 117.927 115.700 -0.074 0.000 2.415 265 S HA 0.381 4.852 4.470 0.003 0.000 0.313 265 S C 1.748 176.269 174.600 -0.132 0.000 1.067 265 S CA -0.266 57.928 58.200 -0.009 0.000 1.099 265 S CB -0.522 62.685 63.200 0.011 0.000 0.991 265 S HN 0.538 nan 8.310 nan 0.000 0.491 266 G N 3.506 112.250 108.800 -0.094 0.000 2.450 266 G HA2 -0.175 3.787 3.960 0.003 0.000 0.220 266 G HA3 -0.175 3.787 3.960 0.003 0.000 0.220 266 G C 1.051 175.885 174.900 -0.111 0.000 1.130 266 G CA 0.679 45.707 45.100 -0.120 0.000 0.760 266 G HN 0.698 nan 8.290 nan 0.000 0.557 267 D N 0.639 120.998 120.400 -0.067 0.000 2.117 267 D HA -0.075 4.567 4.640 0.003 0.000 0.198 267 D C 2.541 178.786 176.300 -0.092 0.000 0.982 267 D CA 0.444 54.405 54.000 -0.064 0.000 0.828 267 D CB -0.003 40.776 40.800 -0.034 0.000 0.967 267 D HN 0.223 nan 8.370 nan 0.000 0.464 268 I N 1.090 121.595 120.570 -0.109 0.000 2.286 268 I HA -0.176 3.995 4.170 0.003 0.000 0.245 268 I C 2.323 178.329 176.117 -0.184 0.000 1.104 268 I CA 0.934 62.158 61.300 -0.126 0.000 1.397 268 I CB -1.013 36.921 38.000 -0.111 0.000 1.072 268 I HN 0.052 nan 8.210 nan 0.000 0.417 269 Q N 0.539 120.169 119.800 -0.284 0.000 2.096 269 Q HA -0.253 4.089 4.340 0.003 0.000 0.204 269 Q C 2.176 178.046 176.000 -0.216 0.000 0.982 269 Q CA 1.801 57.378 55.803 -0.376 0.000 0.850 269 Q CB -0.260 28.081 28.738 -0.662 0.000 0.901 269 Q HN 0.521 nan 8.270 nan 0.000 0.422 270 E N 1.004 121.100 120.200 -0.174 0.000 2.085 270 E HA -0.264 4.088 4.350 0.003 0.000 0.194 270 E C 1.941 178.451 176.600 -0.150 0.000 0.994 270 E CA 1.230 57.546 56.400 -0.140 0.000 0.801 270 E CB 0.078 29.716 29.700 -0.103 0.000 0.743 270 E HN 0.430 nan 8.360 nan 0.000 0.453 271 Q N 0.070 119.789 119.800 -0.135 0.000 2.119 271 Q HA -0.160 4.181 4.340 0.003 0.000 0.201 271 Q C 2.322 178.231 176.000 -0.151 0.000 0.972 271 Q CA 1.123 56.848 55.803 -0.130 0.000 0.847 271 Q CB -0.101 28.579 28.738 -0.097 0.000 0.903 271 Q HN 0.263 nan 8.270 nan 0.000 0.433 272 L N 0.669 121.807 121.223 -0.142 0.000 2.017 272 L HA -0.152 4.190 4.340 0.003 0.000 0.208 272 L C 1.933 178.691 176.870 -0.187 0.000 1.073 272 L CA 1.595 56.364 54.840 -0.118 0.000 0.745 272 L CB -0.336 41.684 42.059 -0.064 0.000 0.894 272 L HN 0.178 nan 8.230 nan 0.000 0.432 273 I N -0.586 119.809 120.570 -0.291 0.000 2.163 273 I HA -0.319 3.852 4.170 0.003 0.000 0.243 273 I C 2.774 178.648 176.117 -0.404 0.000 1.085 273 I CA 1.709 62.725 61.300 -0.473 0.000 1.347 273 I CB -0.394 37.316 38.000 -0.484 0.000 1.044 273 I HN 0.313 nan 8.210 nan 0.000 0.408 274 R N 0.977 121.218 120.500 -0.433 0.000 2.081 274 R HA -0.187 4.155 4.340 0.003 0.000 0.235 274 R C 2.544 178.404 176.300 -0.734 0.000 1.131 274 R CA 1.985 57.599 56.100 -0.811 0.000 0.960 274 R CB -0.267 29.780 30.300 -0.422 0.000 0.856 274 R HN 0.458 nan 8.270 nan 0.000 0.436 275 S N 0.422 115.904 115.700 -0.364 0.000 2.399 275 S HA -0.129 4.342 4.470 0.003 0.000 0.231 275 S C 2.045 176.541 174.600 -0.175 0.000 1.022 275 S CA 1.135 59.199 58.200 -0.226 0.000 0.983 275 S CB -0.399 62.726 63.200 -0.125 0.000 0.803 275 S HN 0.380 nan 8.310 nan 0.000 0.480 276 L N 0.332 121.467 121.223 -0.146 0.000 2.072 276 L HA -0.004 4.338 4.340 0.003 0.000 0.205 276 L C 2.820 179.737 176.870 0.079 0.000 1.079 276 L CA 1.567 56.409 54.840 0.003 0.000 0.752 276 L CB -0.777 41.364 42.059 0.136 0.000 0.906 276 L HN 0.546 nan 8.230 nan 0.000 0.436 277 Y N -0.732 119.644 120.300 0.126 0.000 2.373 277 Y HA -0.076 4.477 4.550 0.005 0.000 0.293 277 Y C 2.314 178.273 175.900 0.098 0.000 1.129 277 Y CA 0.405 58.603 58.100 0.164 0.000 1.226 277 Y CB -1.081 37.545 38.460 0.276 0.000 1.000 277 Y HN 0.121 nan 8.280 nan 0.000 0.549 278 Q N 0.887 120.691 119.800 0.006 0.000 2.046 278 Q HA -0.141 4.201 4.340 0.003 0.000 0.200 278 Q C 2.493 178.536 176.000 0.071 0.000 0.975 278 Q CA 2.207 58.053 55.803 0.072 0.000 0.836 278 Q CB -0.237 28.460 28.738 -0.067 0.000 0.896 278 Q HN 0.705 nan 8.270 nan 0.000 0.428 279 S N 0.001 115.720 115.700 0.032 0.000 2.453 279 S HA 0.037 4.509 4.470 0.003 0.000 0.231 279 S C 1.889 176.529 174.600 0.066 0.000 1.005 279 S CA 0.666 58.893 58.200 0.044 0.000 0.949 279 S CB 0.039 63.256 63.200 0.028 0.000 0.774 279 S HN 0.331 nan 8.310 nan 0.000 0.510 280 A N 0.949 123.822 122.820 0.087 0.000 2.251 280 A HA 0.562 4.884 4.320 0.003 0.000 0.209 280 A C 1.685 179.321 177.584 0.088 0.000 1.187 280 A CA 0.408 52.494 52.037 0.082 0.000 0.823 280 A CB -1.189 17.861 19.000 0.084 0.000 0.846 280 A HN 1.491 nan 8.150 nan 0.000 0.486 281 G N -0.843 108.021 108.800 0.107 0.000 2.246 281 G HA2 -0.158 3.803 3.960 0.003 0.000 0.273 281 G HA3 -0.158 3.803 3.960 0.003 0.000 0.273 281 G C -0.021 174.935 174.900 0.093 0.000 1.055 281 G CA 0.362 45.520 45.100 0.097 0.000 0.851 281 G HN 0.779 nan 8.290 nan 0.000 0.500 282 V N 0.221 120.220 119.914 0.142 0.000 2.483 282 V HA 0.795 4.916 4.120 0.003 0.000 0.295 282 V C 0.769 176.914 176.094 0.084 0.000 1.035 282 V CA -0.296 62.057 62.300 0.088 0.000 0.896 282 V CB 1.736 33.611 31.823 0.087 0.000 0.986 282 V HN 1.076 nan 8.190 nan 0.000 0.447 283 A N 6.337 129.150 122.820 -0.012 0.000 2.327 283 A HA 0.643 4.965 4.320 0.003 0.000 0.283 283 A C -1.655 175.857 177.584 -0.119 0.000 1.127 283 A CA -1.389 50.604 52.037 -0.073 0.000 0.810 283 A CB 0.569 19.546 19.000 -0.038 0.000 1.066 283 A HN 0.683 nan 8.150 nan 0.000 0.492 284 P HA -0.175 nan 4.420 nan 0.000 0.219 284 P C 1.129 178.447 177.300 0.030 0.000 1.146 284 P CA 1.624 64.558 63.100 -0.276 0.000 0.808 284 P CB 0.227 31.656 31.700 -0.452 0.000 0.779 285 E N 0.355 120.547 120.200 -0.015 0.000 2.418 285 E HA -0.111 4.241 4.350 0.003 0.000 0.197 285 E C 1.643 178.268 176.600 0.041 0.000 1.026 285 E CA 1.162 57.573 56.400 0.017 0.000 0.862 285 E CB -0.632 29.063 29.700 -0.007 0.000 0.799 285 E HN 0.202 nan 8.360 nan 0.000 0.518 286 S N -0.542 115.172 115.700 0.022 0.000 2.522 286 S HA 0.038 4.509 4.470 0.003 0.000 0.227 286 S C 0.247 174.784 174.600 -0.105 0.000 0.986 286 S CA -0.421 57.740 58.200 -0.065 0.000 0.929 286 S CB -0.438 62.668 63.200 -0.156 0.000 0.769 286 S HN 0.160 nan 8.310 nan 0.000 0.529 287 F N 2.355 122.287 119.950 -0.030 0.000 2.443 287 F HA 0.391 4.918 4.527 0.000 0.000 0.353 287 F C 1.573 177.381 175.800 0.014 0.000 1.101 287 F CA -0.513 57.485 58.000 -0.002 0.000 1.226 287 F CB 0.925 39.908 39.000 -0.028 0.000 1.140 287 F HN 0.195 nan 8.300 nan 0.000 0.557 288 E N 2.624 122.953 120.200 0.216 0.000 2.162 288 E HA -0.015 4.337 4.350 0.003 0.000 0.193 288 E C -0.850 175.829 176.600 0.132 0.000 0.953 288 E CA 0.360 56.873 56.400 0.187 0.000 0.849 288 E CB 0.418 30.281 29.700 0.271 0.000 0.810 288 E HN 0.603 nan 8.360 nan 0.000 0.470 289 Y N -0.171 120.095 120.300 -0.056 0.000 2.544 289 Y HA 0.479 5.030 4.550 0.002 0.000 0.342 289 Y C -1.791 174.025 175.900 -0.140 0.000 1.062 289 Y CA -1.182 56.731 58.100 -0.312 0.000 1.023 289 Y CB 1.580 39.460 38.460 -0.966 0.000 1.308 289 Y HN -0.013 nan 8.280 nan 0.000 0.457 290 I N 4.495 124.610 120.570 -0.758 0.000 2.466 290 I HA 0.412 4.584 4.170 0.003 0.000 0.289 290 I C -1.483 174.181 176.117 -0.755 0.000 1.026 290 I CA -0.566 60.436 61.300 -0.496 0.000 1.078 290 I CB 1.526 39.351 38.000 -0.291 0.000 1.249 290 I HN 0.766 nan 8.210 nan 0.000 0.429 291 E N 6.839 126.866 120.200 -0.288 0.000 2.044 291 E HA 0.569 4.921 4.350 0.003 0.000 0.282 291 E C -0.581 175.967 176.600 -0.087 0.000 1.031 291 E CA -0.363 55.976 56.400 -0.103 0.000 0.824 291 E CB 1.018 30.811 29.700 0.155 0.000 1.076 291 E HN 0.670 nan 8.360 nan 0.000 0.395 292 A N 3.839 126.619 122.820 -0.068 0.000 2.332 292 A HA 0.171 4.493 4.320 0.003 0.000 0.258 292 A C 0.788 178.359 177.584 -0.023 0.000 1.087 292 A CA -0.063 51.966 52.037 -0.013 0.000 0.802 292 A CB 0.320 19.386 19.000 0.109 0.000 1.042 292 A HN 0.969 nan 8.150 nan 0.000 0.489 293 H N 1.336 120.272 119.070 -0.223 0.000 2.352 293 H HA 0.005 4.563 4.556 0.003 0.000 0.299 293 H C 1.550 176.765 175.328 -0.188 0.000 1.097 293 H CA 1.747 57.621 56.048 -0.291 0.000 1.311 293 H CB -0.533 28.985 29.762 -0.407 0.000 1.377 293 H HN 1.243 nan 8.280 nan 0.000 0.504 294 G N 0.536 109.281 108.800 -0.091 0.000 2.306 294 G HA2 -0.310 3.651 3.960 0.003 0.000 0.274 294 G HA3 -0.310 3.651 3.960 0.003 0.000 0.274 294 G C 0.962 175.633 174.900 -0.381 0.000 0.890 294 G CA 0.953 45.953 45.100 -0.166 0.000 1.298 294 G HN 0.770 nan 8.290 nan 0.000 0.445 295 T N -1.884 112.449 114.554 -0.368 0.000 3.100 295 T HA 0.404 4.756 4.350 0.003 0.000 0.253 295 T C 2.002 176.618 174.700 -0.141 0.000 1.118 295 T CA 0.803 62.691 62.100 -0.353 0.000 1.058 295 T CB 0.412 69.050 68.868 -0.383 0.000 0.953 295 T HN 2.195 nan 8.240 nan 0.000 0.515 296 G N 2.179 110.903 108.800 -0.127 0.000 2.212 296 G HA2 -0.208 3.754 3.960 0.003 0.000 0.255 296 G HA3 -0.208 3.754 3.960 0.003 0.000 0.255 296 G C 0.081 174.981 174.900 0.000 0.000 1.062 296 G CA 0.173 45.232 45.100 -0.069 0.000 0.815 296 G HN 1.129 nan 8.290 nan 0.000 0.497 297 T N -3.119 111.450 114.554 0.024 0.000 2.928 297 T HA 0.649 5.001 4.350 0.003 0.000 0.284 297 T C 1.267 175.987 174.700 0.034 0.000 1.008 297 T CA 0.088 62.212 62.100 0.039 0.000 1.057 297 T CB 2.241 71.144 68.868 0.058 0.000 1.018 297 T HN 0.195 nan 8.240 nan 0.000 0.493 298 K N 1.069 121.487 120.400 0.030 0.000 2.097 298 K HA -0.035 4.287 4.320 0.003 0.000 0.206 298 K C 1.808 178.422 176.600 0.023 0.000 1.049 298 K CA 1.219 57.525 56.287 0.033 0.000 0.933 298 K CB -0.362 32.158 32.500 0.032 0.000 0.717 298 K HN 0.526 nan 8.250 nan 0.000 0.442 299 V N -0.547 119.366 119.914 -0.002 0.000 2.426 299 V HA -0.013 4.109 4.120 0.003 0.000 0.242 299 V C 2.188 178.211 176.094 -0.117 0.000 1.036 299 V CA 1.790 64.053 62.300 -0.062 0.000 1.044 299 V CB -0.182 31.575 31.823 -0.110 0.000 0.688 299 V HN 0.543 nan 8.190 nan 0.000 0.462 300 G N -0.175 108.577 108.800 -0.080 0.000 2.418 300 G HA2 -0.255 3.707 3.960 0.003 0.000 0.217 300 G HA3 -0.255 3.707 3.960 0.003 0.000 0.217 300 G C 1.193 176.109 174.900 0.028 0.000 1.158 300 G CA 1.120 46.195 45.100 -0.041 0.000 0.771 300 G HN 0.476 nan 8.290 nan 0.000 0.545 301 D N 1.208 121.644 120.400 0.061 0.000 2.092 301 D HA -0.064 4.578 4.640 0.003 0.000 0.193 301 D C 0.131 176.478 176.300 0.080 0.000 0.994 301 D CA 1.151 55.223 54.000 0.120 0.000 0.828 301 D CB -1.122 39.777 40.800 0.165 0.000 0.963 301 D HN 0.262 nan 8.370 nan 0.000 0.450 302 P HA -0.058 nan 4.420 nan 0.000 0.217 302 P C 1.487 178.787 177.300 -0.000 0.000 1.151 302 P CA 1.121 64.234 63.100 0.023 0.000 0.828 302 P CB 0.101 31.817 31.700 0.027 0.000 0.788 303 Q N 0.066 119.851 119.800 -0.024 0.000 2.061 303 Q HA -0.232 4.110 4.340 0.003 0.000 0.204 303 Q C 2.183 178.162 176.000 -0.034 0.000 0.984 303 Q CA 1.717 57.489 55.803 -0.051 0.000 0.846 303 Q CB -0.818 27.833 28.738 -0.145 0.000 0.902 303 Q HN 0.454 nan 8.270 nan 0.000 0.421 304 E N -0.129 120.078 120.200 0.013 0.000 2.028 304 E HA -0.166 4.186 4.350 0.003 0.000 0.191 304 E C 1.957 178.571 176.600 0.023 0.000 0.988 304 E CA 0.654 57.101 56.400 0.078 0.000 0.799 304 E CB 0.058 29.898 29.700 0.233 0.000 0.755 304 E HN 0.129 nan 8.360 nan 0.000 0.447 305 L N 1.677 122.894 121.223 -0.010 0.000 2.141 305 L HA -0.123 4.219 4.340 0.003 0.000 0.209 305 L C 1.999 178.820 176.870 -0.082 0.000 1.094 305 L CA 1.193 55.978 54.840 -0.091 0.000 0.763 305 L CB -0.518 41.444 42.059 -0.161 0.000 0.908 305 L HN 0.172 nan 8.230 nan 0.000 0.437 306 N N -0.498 118.172 118.700 -0.050 0.000 2.300 306 N HA -0.061 4.680 4.740 0.003 0.000 0.179 306 N C 1.897 177.376 175.510 -0.051 0.000 1.016 306 N CA 1.195 54.218 53.050 -0.046 0.000 0.876 306 N CB -0.431 38.041 38.487 -0.024 0.000 0.979 306 N HN 0.370 nan 8.380 nan 0.000 0.432 307 G N 1.274 110.042 108.800 -0.053 0.000 2.418 307 G HA2 -0.145 3.817 3.960 0.003 0.000 0.217 307 G HA3 -0.145 3.817 3.960 0.003 0.000 0.217 307 G C 1.649 176.503 174.900 -0.077 0.000 1.158 307 G CA 0.254 45.315 45.100 -0.067 0.000 0.771 307 G HN 0.239 nan 8.290 nan 0.000 0.545 308 I N 0.951 121.473 120.570 -0.080 0.000 2.226 308 I HA -0.174 3.998 4.170 0.003 0.000 0.245 308 I C 2.999 179.045 176.117 -0.118 0.000 1.100 308 I CA 1.456 62.687 61.300 -0.114 0.000 1.374 308 I CB -0.381 37.536 38.000 -0.137 0.000 1.057 308 I HN 0.113 nan 8.210 nan 0.000 0.413 309 T N 0.442 114.934 114.554 -0.104 0.000 2.684 309 T HA -0.193 4.159 4.350 0.003 0.000 0.267 309 T C 2.002 176.662 174.700 -0.067 0.000 1.036 309 T CA 1.343 63.389 62.100 -0.091 0.000 1.148 309 T CB -0.269 68.552 68.868 -0.078 0.000 0.863 309 T HN 0.323 nan 8.240 nan 0.000 0.436 310 R N 0.836 121.303 120.500 -0.055 0.000 2.092 310 R HA 0.115 4.457 4.340 0.003 0.000 0.231 310 R C 2.804 179.090 176.300 -0.024 0.000 1.119 310 R CA 1.142 57.220 56.100 -0.037 0.000 0.970 310 R CB -0.385 29.894 30.300 -0.035 0.000 0.864 310 R HN 0.370 nan 8.270 nan 0.000 0.440 311 A N 0.691 123.490 122.820 -0.036 0.000 1.897 311 A HA -0.033 4.289 4.320 0.003 0.000 0.215 311 A C 1.962 179.581 177.584 0.058 0.000 1.181 311 A CA 1.047 53.092 52.037 0.012 0.000 0.620 311 A CB -0.084 18.890 19.000 -0.044 0.000 0.821 311 A HN 0.176 nan 8.150 nan 0.000 0.443 312 L N -1.888 119.300 121.223 -0.059 0.000 2.642 312 L HA 0.063 4.404 4.340 0.003 0.000 0.233 312 L C 1.223 178.024 176.870 -0.115 0.000 1.077 312 L CA 0.064 54.821 54.840 -0.138 0.000 0.879 312 L CB 0.435 42.335 42.059 -0.264 0.000 1.151 312 L HN 0.365 nan 8.230 nan 0.000 0.495 313 C N 0.207 119.454 119.300 -0.088 0.000 2.754 313 C HA 0.354 4.816 4.460 0.003 0.000 0.276 313 C C 2.616 177.578 174.990 -0.046 0.000 1.264 313 C CA 0.008 58.983 59.018 -0.071 0.000 1.700 313 C CB -0.869 26.825 27.740 -0.077 0.000 1.885 313 C HN 0.486 nan 8.230 nan 0.000 0.607 314 A N 0.560 123.359 122.820 -0.035 0.000 1.908 314 A HA -0.179 4.143 4.320 0.003 0.000 0.218 314 A C 2.162 179.736 177.584 -0.018 0.000 1.181 314 A CA 2.497 54.522 52.037 -0.019 0.000 0.627 314 A CB -0.519 18.478 19.000 -0.005 0.000 0.818 314 A HN 0.449 nan 8.150 nan 0.000 0.445 315 T N -1.146 113.396 114.554 -0.021 0.000 3.200 315 T HA 0.242 4.593 4.350 0.003 0.000 0.284 315 T C 0.351 175.039 174.700 -0.020 0.000 1.009 315 T CA -0.453 61.637 62.100 -0.017 0.000 0.907 315 T CB -0.306 68.555 68.868 -0.012 0.000 1.120 315 T HN 0.380 nan 8.240 nan 0.000 0.534 316 R N 1.303 121.787 120.500 -0.027 0.000 2.438 316 R HA 0.261 4.603 4.340 0.003 0.000 0.287 316 R C 0.989 177.280 176.300 -0.016 0.000 1.077 316 R CA -0.327 55.759 56.100 -0.023 0.000 1.034 316 R CB 0.702 30.982 30.300 -0.032 0.000 0.993 316 R HN 0.166 nan 8.270 nan 0.000 0.459 317 Q N 1.302 121.097 119.800 -0.009 0.000 2.297 317 Q HA 0.016 4.358 4.340 0.003 0.000 0.203 317 Q C -0.095 175.903 176.000 -0.004 0.000 0.931 317 Q CA 1.187 56.987 55.803 -0.005 0.000 0.885 317 Q CB 0.510 29.248 28.738 -0.001 0.000 0.991 317 Q HN 0.589 nan 8.270 nan 0.000 0.498 318 E N 1.743 121.942 120.200 -0.002 0.000 2.222 318 E HA 0.386 4.737 4.350 0.003 0.000 0.272 318 E C -2.279 174.315 176.600 -0.010 0.000 0.982 318 E CA -2.184 54.217 56.400 0.001 0.000 0.842 318 E CB 0.667 30.375 29.700 0.013 0.000 1.144 318 E HN -0.041 nan 8.360 nan 0.000 0.397 319 P HA 0.119 nan 4.420 nan 0.000 0.272 319 P C -0.571 176.704 177.300 -0.041 0.000 1.230 319 P CA -0.510 62.570 63.100 -0.033 0.000 0.788 319 P CB 0.523 32.206 31.700 -0.029 0.000 0.949 320 L N 2.359 123.534 121.223 -0.080 0.000 2.296 320 L HA 0.353 4.694 4.340 0.003 0.000 0.286 320 L C -0.631 176.142 176.870 -0.161 0.000 1.023 320 L CA -0.599 54.180 54.840 -0.101 0.000 0.812 320 L CB 0.483 42.463 42.059 -0.130 0.000 1.223 320 L HN 0.182 nan 8.230 nan 0.000 0.421 321 L N 6.266 127.392 121.223 -0.162 0.000 2.397 321 L HA 0.440 4.782 4.340 0.003 0.000 0.271 321 L C -0.055 176.530 176.870 -0.474 0.000 1.148 321 L CA -0.273 54.434 54.840 -0.222 0.000 0.825 321 L CB 0.823 42.803 42.059 -0.131 0.000 1.117 321 L HN 0.709 nan 8.230 nan 0.000 0.456 322 I N -0.563 119.717 120.570 -0.483 0.000 2.722 322 I HA 0.952 5.124 4.170 0.003 0.000 0.295 322 I C -0.346 175.555 176.117 -0.361 0.000 1.161 322 I CA -0.398 60.515 61.300 -0.645 0.000 1.032 322 I CB 2.266 39.893 38.000 -0.623 0.000 1.244 322 I HN 0.533 nan 8.210 nan 0.000 0.421 323 G N 2.000 110.637 108.800 -0.272 0.000 2.708 323 G HA2 0.659 4.620 3.960 0.003 0.000 0.289 323 G HA3 0.659 4.620 3.960 0.003 0.000 0.289 323 G C -1.847 173.170 174.900 0.195 0.000 1.416 323 G CA -0.770 44.423 45.100 0.155 0.000 0.829 323 G HN 0.779 nan 8.290 nan 0.000 0.480 324 S N -1.184 114.569 115.700 0.089 0.000 2.720 324 S HA 0.457 4.929 4.470 0.003 0.000 0.278 324 S C 0.934 175.508 174.600 -0.043 0.000 1.172 324 S CA -0.003 58.171 58.200 -0.044 0.000 1.019 324 S CB 1.298 64.306 63.200 -0.320 0.000 1.049 324 S HN 0.568 nan 8.310 nan 0.000 0.483 325 T N 4.560 119.125 114.554 0.017 0.000 2.929 325 T HA -0.064 4.287 4.350 0.003 0.000 0.271 325 T C 1.549 176.259 174.700 0.018 0.000 1.085 325 T CA 1.135 63.267 62.100 0.054 0.000 1.125 325 T CB -0.137 68.818 68.868 0.144 0.000 0.874 325 T HN 0.650 nan 8.240 nan 0.000 0.494 326 K N 1.667 122.026 120.400 -0.068 0.000 2.209 326 K HA -0.065 4.256 4.320 0.003 0.000 0.204 326 K C 2.680 179.256 176.600 -0.041 0.000 1.048 326 K CA 1.437 57.676 56.287 -0.081 0.000 0.940 326 K CB -0.193 32.179 32.500 -0.213 0.000 0.729 326 K HN 0.467 nan 8.250 nan 0.000 0.451 327 S N 0.910 116.572 115.700 -0.063 0.000 2.423 327 S HA -0.099 4.373 4.470 0.003 0.000 0.231 327 S C 1.457 176.104 174.600 0.079 0.000 1.014 327 S CA 1.262 59.470 58.200 0.014 0.000 0.965 327 S CB -0.229 62.932 63.200 -0.065 0.000 0.785 327 S HN 0.294 nan 8.310 nan 0.000 0.495 328 N N 1.761 120.475 118.700 0.024 0.000 2.336 328 N HA 0.218 4.959 4.740 0.003 0.000 0.177 328 N C 1.554 177.109 175.510 0.075 0.000 1.018 328 N CA 1.344 54.405 53.050 0.018 0.000 0.878 328 N CB -0.172 38.298 38.487 -0.029 0.000 0.997 328 N HN 0.742 nan 8.380 nan 0.000 0.433 329 M N -2.637 117.026 119.600 0.105 0.000 2.327 329 M HA 0.513 4.995 4.480 0.003 0.000 0.365 329 M C 0.452 176.806 176.300 0.090 0.000 0.992 329 M CA -0.441 54.933 55.300 0.124 0.000 0.985 329 M CB 1.211 33.935 32.600 0.208 0.000 1.673 329 M HN -0.022 nan 8.290 nan 0.000 0.586 330 G N 1.361 110.205 108.800 0.074 0.000 2.760 330 G HA2 -0.262 3.700 3.960 0.003 0.000 0.246 330 G HA3 -0.262 3.700 3.960 0.003 0.000 0.246 330 G C -1.263 173.690 174.900 0.089 0.000 1.359 330 G CA -0.313 44.833 45.100 0.077 0.000 0.861 330 G HN 0.787 nan 8.290 nan 0.000 0.541 331 H N 1.877 120.922 119.070 -0.041 0.000 2.685 331 H HA 0.501 5.059 4.556 0.003 0.000 0.286 331 H C -1.645 173.612 175.328 -0.117 0.000 1.102 331 H CA -1.917 54.035 56.048 -0.159 0.000 1.254 331 H CB 1.585 31.101 29.762 -0.411 0.000 1.397 331 H HN 0.286 nan 8.280 nan 0.000 0.473 332 P HA 0.062 nan 4.420 nan 0.000 0.249 332 P C -0.046 177.199 177.300 -0.092 0.000 1.544 332 P CA 0.193 63.278 63.100 -0.026 0.000 0.932 332 P CB 0.184 31.888 31.700 0.006 0.000 1.524 333 E N 0.282 120.276 120.200 -0.344 0.000 3.287 333 E HA -0.242 4.109 4.350 0.003 0.000 0.405 333 E C -1.297 175.293 176.600 -0.016 0.000 1.541 333 E CA 1.709 57.898 56.400 -0.352 0.000 1.405 333 E CB -2.638 26.888 29.700 -0.289 0.000 1.576 333 E HN 0.255 nan 8.360 nan 0.000 0.474 334 P HA -0.190 nan 4.420 nan 0.000 0.219 334 P C 0.684 178.018 177.300 0.056 0.000 1.146 334 P CA 2.441 65.575 63.100 0.057 0.000 0.808 334 P CB -0.046 31.688 31.700 0.056 0.000 0.779 335 A N 0.048 122.893 122.820 0.041 0.000 2.275 335 A HA 0.090 4.411 4.320 0.003 0.000 0.212 335 A C 2.229 179.839 177.584 0.043 0.000 1.201 335 A CA 0.681 52.739 52.037 0.035 0.000 0.843 335 A CB -0.961 18.047 19.000 0.013 0.000 0.873 335 A HN 0.309 nan 8.150 nan 0.000 0.492 336 S N -0.259 115.490 115.700 0.081 0.000 2.383 336 S HA -0.096 4.376 4.470 0.003 0.000 0.229 336 S C 1.985 176.621 174.600 0.059 0.000 1.030 336 S CA 1.411 59.667 58.200 0.095 0.000 1.002 336 S CB -1.009 62.301 63.200 0.183 0.000 0.829 336 S HN 0.603 nan 8.310 nan 0.000 0.467 337 G N 1.980 110.813 108.800 0.055 0.000 2.421 337 G HA2 -0.037 3.925 3.960 0.003 0.000 0.216 337 G HA3 -0.037 3.925 3.960 0.003 0.000 0.216 337 G C 1.464 176.379 174.900 0.026 0.000 1.171 337 G CA 0.939 46.055 45.100 0.027 0.000 0.775 337 G HN 0.511 nan 8.290 nan 0.000 0.543 338 L N 0.467 121.707 121.223 0.027 0.000 2.156 338 L HA 0.056 4.398 4.340 0.003 0.000 0.208 338 L C 3.363 180.247 176.870 0.022 0.000 1.095 338 L CA 0.747 55.600 54.840 0.022 0.000 0.770 338 L CB -0.399 41.672 42.059 0.019 0.000 0.914 338 L HN 0.318 nan 8.230 nan 0.000 0.439 339 A N 0.395 123.226 122.820 0.017 0.000 1.902 339 A HA -0.147 4.175 4.320 0.003 0.000 0.217 339 A C 2.547 180.208 177.584 0.128 0.000 1.181 339 A CA 1.699 53.746 52.037 0.016 0.000 0.623 339 A CB -0.539 18.458 19.000 -0.005 0.000 0.818 339 A HN 0.381 nan 8.150 nan 0.000 0.443 340 A N -0.496 122.387 122.820 0.104 0.000 1.898 340 A HA -0.002 4.320 4.320 0.003 0.000 0.216 340 A C 2.122 179.788 177.584 0.137 0.000 1.181 340 A CA 1.647 53.760 52.037 0.127 0.000 0.620 340 A CB -0.634 18.410 19.000 0.072 0.000 0.819 340 A HN 0.706 nan 8.150 nan 0.000 0.442 341 L N -0.093 121.183 121.223 0.089 0.000 2.042 341 L HA -0.109 4.233 4.340 0.003 0.000 0.210 341 L C 2.632 179.547 176.870 0.074 0.000 1.076 341 L CA 2.243 57.124 54.840 0.068 0.000 0.749 341 L CB -0.737 41.339 42.059 0.028 0.000 0.893 341 L HN 0.346 nan 8.230 nan 0.000 0.432 342 A N -0.472 122.407 122.820 0.098 0.000 1.877 342 A HA -0.241 4.080 4.320 0.003 0.000 0.216 342 A C 2.426 180.150 177.584 0.234 0.000 1.186 342 A CA 1.927 54.042 52.037 0.130 0.000 0.620 342 A CB -0.725 18.370 19.000 0.160 0.000 0.822 342 A HN 0.455 nan 8.150 nan 0.000 0.443 343 K N 0.213 120.813 120.400 0.334 0.000 2.063 343 K HA -0.105 4.217 4.320 0.003 0.000 0.208 343 K C 1.895 178.617 176.600 0.204 0.000 1.048 343 K CA 1.876 58.325 56.287 0.271 0.000 0.928 343 K CB -0.572 32.071 32.500 0.239 0.000 0.713 343 K HN 0.272 nan 8.250 nan 0.000 0.442 344 V N 1.924 121.951 119.914 0.189 0.000 2.307 344 V HA -0.241 3.881 4.120 0.003 0.000 0.245 344 V C 2.555 178.700 176.094 0.085 0.000 1.045 344 V CA 1.571 63.993 62.300 0.203 0.000 1.024 344 V CB -0.347 31.613 31.823 0.229 0.000 0.651 344 V HN 0.255 nan 8.190 nan 0.000 0.449 345 L N -0.820 120.410 121.223 0.012 0.000 2.093 345 L HA -0.151 4.191 4.340 0.003 0.000 0.208 345 L C 2.375 179.158 176.870 -0.146 0.000 1.085 345 L CA 1.315 56.099 54.840 -0.094 0.000 0.755 345 L CB -0.539 41.362 42.059 -0.263 0.000 0.904 345 L HN 0.300 nan 8.230 nan 0.000 0.435 346 L N -1.030 120.124 121.223 -0.116 0.000 2.093 346 L HA -0.157 4.185 4.340 0.003 0.000 0.208 346 L C 2.708 179.306 176.870 -0.453 0.000 1.085 346 L CA 0.845 55.551 54.840 -0.223 0.000 0.755 346 L CB -0.447 41.577 42.059 -0.058 0.000 0.904 346 L HN 0.165 nan 8.230 nan 0.000 0.435 347 S N 0.170 115.724 115.700 -0.244 0.000 2.356 347 S HA -0.127 4.344 4.470 0.003 0.000 0.223 347 S C 1.972 176.287 174.600 -0.476 0.000 1.032 347 S CA 1.236 59.265 58.200 -0.284 0.000 1.005 347 S CB -0.317 62.801 63.200 -0.135 0.000 0.867 347 S HN 0.283 nan 8.310 nan 0.000 0.449 348 L N 1.388 122.357 121.223 -0.424 0.000 2.046 348 L HA -0.097 4.245 4.340 0.003 0.000 0.208 348 L C 2.618 179.310 176.870 -0.298 0.000 1.077 348 L CA 1.031 55.639 54.840 -0.387 0.000 0.747 348 L CB -0.560 41.374 42.059 -0.208 0.000 0.896 348 L HN 0.201 nan 8.230 nan 0.000 0.432 349 E N -0.318 119.716 120.200 -0.276 0.000 2.204 349 E HA -0.193 4.158 4.350 0.003 0.000 0.195 349 E C 1.817 178.108 176.600 -0.514 0.000 0.990 349 E CA 1.348 57.548 56.400 -0.335 0.000 0.821 349 E CB -0.147 29.363 29.700 -0.317 0.000 0.750 349 E HN 0.642 nan 8.360 nan 0.000 0.477 350 H N -1.425 117.362 119.070 -0.472 0.000 2.575 350 H HA 0.236 4.793 4.556 0.003 0.000 0.267 350 H C 1.170 176.350 175.328 -0.246 0.000 0.966 350 H CA 0.595 56.409 56.048 -0.390 0.000 1.165 350 H CB 0.862 30.278 29.762 -0.577 0.000 1.433 350 H HN 0.260 nan 8.280 nan 0.000 0.544 351 G N 0.637 109.307 108.800 -0.216 0.000 2.153 351 G HA2 -0.270 3.691 3.960 0.003 0.000 0.252 351 G HA3 -0.270 3.691 3.960 0.003 0.000 0.252 351 G C -0.217 174.557 174.900 -0.209 0.000 0.994 351 G CA 0.318 45.284 45.100 -0.223 0.000 0.698 351 G HN 0.291 nan 8.290 nan 0.000 0.521 352 L N -1.330 119.782 121.223 -0.185 0.000 2.436 352 L HA 0.538 4.880 4.340 0.003 0.000 0.268 352 L C -0.231 176.577 176.870 -0.103 0.000 0.974 352 L CA -1.173 53.617 54.840 -0.085 0.000 0.826 352 L CB 1.488 43.629 42.059 0.136 0.000 1.291 352 L HN 0.171 nan 8.230 nan 0.000 0.406 353 W N 2.539 123.865 121.300 0.043 0.000 2.388 353 W HA 0.509 5.171 4.660 0.002 0.000 0.308 353 W C 0.598 177.127 176.519 0.017 0.000 1.263 353 W CA -0.385 56.943 57.345 -0.030 0.000 1.286 353 W CB 1.011 30.412 29.460 -0.099 0.000 1.294 353 W HN 0.512 nan 8.180 nan 0.000 0.493 354 A N 7.273 130.251 122.820 0.264 0.000 2.488 354 A HA 0.321 4.643 4.320 0.003 0.000 0.249 354 A C -1.901 175.722 177.584 0.065 0.000 1.083 354 A CA -1.167 50.900 52.037 0.050 0.000 0.768 354 A CB -0.338 18.626 19.000 -0.060 0.000 1.017 354 A HN 0.374 nan 8.150 nan 0.000 0.496 355 P HA 0.209 nan 4.420 nan 0.000 0.278 355 P C -0.573 176.717 177.300 -0.017 0.000 1.258 355 P CA -0.664 62.449 63.100 0.022 0.000 0.811 355 P CB 0.658 32.361 31.700 0.006 0.000 1.063 356 N N -0.096 118.604 118.700 0.000 0.000 2.444 356 N HA 0.280 5.021 4.740 0.003 0.000 0.255 356 N C -0.013 175.449 175.510 -0.079 0.000 1.255 356 N CA -0.112 52.915 53.050 -0.038 0.000 0.933 356 N CB 0.003 38.468 38.487 -0.036 0.000 1.143 356 N HN 0.332 nan 8.380 nan 0.000 0.453 357 L N 0.942 122.079 121.223 -0.143 0.000 2.331 357 L HA 0.360 4.702 4.340 0.003 0.000 0.268 357 L C 0.357 177.056 176.870 -0.284 0.000 1.015 357 L CA -0.810 53.836 54.840 -0.324 0.000 0.807 357 L CB 0.819 42.539 42.059 -0.565 0.000 1.293 357 L HN 0.728 nan 8.230 nan 0.000 0.451 358 H N -0.843 118.152 119.070 -0.125 0.000 3.047 358 H HA -0.235 4.322 4.556 0.003 0.000 0.263 358 H C -0.417 174.675 175.328 -0.392 0.000 1.168 358 H CA 0.631 56.532 56.048 -0.244 0.000 1.152 358 H CB -1.854 27.857 29.762 -0.086 0.000 1.278 358 H HN 0.319 nan 8.280 nan 0.000 0.339 359 F N 2.604 122.292 119.950 -0.436 0.000 2.350 359 F HA 0.304 4.832 4.527 0.003 0.000 0.365 359 F C 0.981 176.548 175.800 -0.388 0.000 1.122 359 F CA -0.535 57.291 58.000 -0.290 0.000 1.139 359 F CB 0.374 39.321 39.000 -0.088 0.000 1.220 359 F HN 0.022 nan 8.300 nan 0.000 0.499 360 H N 1.934 120.720 119.070 -0.474 0.000 2.326 360 H HA 0.217 4.774 4.556 0.003 0.000 0.272 360 H C 0.301 175.304 175.328 -0.541 0.000 0.949 360 H CA 0.716 56.526 56.048 -0.397 0.000 1.175 360 H CB 0.211 29.873 29.762 -0.167 0.000 1.462 360 H HN 0.404 nan 8.280 nan 0.000 0.514 361 S N 2.875 118.345 115.700 -0.383 0.000 2.561 361 S HA 0.414 4.886 4.470 0.003 0.000 0.303 361 S C -3.083 171.365 174.600 -0.253 0.000 1.110 361 S CA -1.658 56.368 58.200 -0.290 0.000 1.034 361 S CB 2.967 66.107 63.200 -0.100 0.000 1.010 361 S HN -0.135 nan 8.310 nan 0.000 0.482 362 P HA 0.022 nan 4.420 nan 0.000 0.265 362 P C -0.294 177.087 177.300 0.134 0.000 1.193 362 P CA -0.118 63.087 63.100 0.175 0.000 0.765 362 P CB 0.294 32.112 31.700 0.197 0.000 0.823 363 N N 5.020 123.837 118.700 0.194 0.000 2.411 363 N HA -0.034 4.708 4.740 0.003 0.000 0.261 363 N C -1.216 174.346 175.510 0.086 0.000 1.248 363 N CA -1.230 51.896 53.050 0.126 0.000 0.885 363 N CB 0.334 38.906 38.487 0.141 0.000 1.062 363 N HN 0.266 nan 8.380 nan 0.000 0.471 364 P HA -0.047 nan 4.420 nan 0.000 0.226 364 P C 0.021 177.343 177.300 0.037 0.000 1.153 364 P CA 1.071 64.197 63.100 0.043 0.000 0.777 364 P CB 0.288 32.008 31.700 0.032 0.000 0.794 365 E N -0.218 120.007 120.200 0.042 0.000 2.476 365 E HA 0.130 4.482 4.350 0.003 0.000 0.191 365 E C 0.466 177.083 176.600 0.028 0.000 1.064 365 E CA 0.051 56.471 56.400 0.034 0.000 0.866 365 E CB -0.106 29.617 29.700 0.038 0.000 0.952 365 E HN 0.377 nan 8.360 nan 0.000 0.492 366 I N 1.386 121.973 120.570 0.029 0.000 2.555 366 I HA 0.154 4.326 4.170 0.003 0.000 0.275 366 I C -2.014 174.105 176.117 0.004 0.000 1.082 366 I CA -2.118 59.188 61.300 0.010 0.000 1.167 366 I CB 1.304 39.310 38.000 0.009 0.000 1.312 366 I HN -0.209 nan 8.210 nan 0.000 0.493 367 P HA -0.228 nan 4.420 nan 0.000 0.217 367 P C 1.513 178.804 177.300 -0.014 0.000 1.151 367 P CA 1.234 64.331 63.100 -0.004 0.000 0.849 367 P CB 0.350 32.046 31.700 -0.007 0.000 0.787 368 A N -1.403 121.397 122.820 -0.034 0.000 2.168 368 A HA -0.041 4.281 4.320 0.003 0.000 0.215 368 A C 2.101 179.654 177.584 -0.052 0.000 1.152 368 A CA 0.847 52.855 52.037 -0.050 0.000 0.716 368 A CB -1.289 17.666 19.000 -0.075 0.000 0.794 368 A HN 0.150 nan 8.150 nan 0.000 0.465 369 L N -1.157 120.044 121.223 -0.037 0.000 2.270 369 L HA -0.033 4.309 4.340 0.003 0.000 0.210 369 L C 1.839 178.730 176.870 0.035 0.000 1.104 369 L CA 0.303 55.138 54.840 -0.008 0.000 0.804 369 L CB -0.184 41.895 42.059 0.033 0.000 0.937 369 L HN 0.287 nan 8.230 nan 0.000 0.450 370 L N -0.060 121.179 121.223 0.026 0.000 2.209 370 L HA -0.110 4.231 4.340 0.003 0.000 0.207 370 L C 1.746 178.626 176.870 0.017 0.000 1.094 370 L CA 1.456 56.314 54.840 0.029 0.000 0.790 370 L CB -0.777 41.297 42.059 0.024 0.000 0.932 370 L HN 0.357 nan 8.230 nan 0.000 0.447 371 D N -1.987 118.415 120.400 0.004 0.000 2.349 371 D HA 0.210 4.852 4.640 0.003 0.000 0.214 371 D C 1.528 177.825 176.300 -0.005 0.000 1.063 371 D CA 0.646 54.646 54.000 -0.001 0.000 0.847 371 D CB 0.063 40.859 40.800 -0.006 0.000 0.933 371 D HN 0.183 nan 8.370 nan 0.000 0.513 372 G N 0.678 109.474 108.800 -0.008 0.000 2.162 372 G HA2 -0.411 3.551 3.960 0.003 0.000 0.260 372 G HA3 -0.411 3.551 3.960 0.003 0.000 0.260 372 G C 1.208 176.089 174.900 -0.032 0.000 0.976 372 G CA 0.318 45.410 45.100 -0.013 0.000 0.655 372 G HN 0.394 nan 8.290 nan 0.000 0.533 373 R N -0.950 119.524 120.500 -0.043 0.000 2.115 373 R HA 0.261 4.603 4.340 0.003 0.000 0.226 373 R C 1.033 177.280 176.300 -0.088 0.000 1.100 373 R CA 0.732 56.799 56.100 -0.056 0.000 0.980 373 R CB 0.024 30.291 30.300 -0.055 0.000 0.875 373 R HN 0.422 nan 8.270 nan 0.000 0.445 374 L N 0.900 122.057 121.223 -0.110 0.000 2.341 374 L HA 0.340 4.682 4.340 0.003 0.000 0.278 374 L C -0.616 176.159 176.870 -0.159 0.000 1.005 374 L CA -0.521 54.216 54.840 -0.171 0.000 0.818 374 L CB 1.961 43.882 42.059 -0.230 0.000 1.259 374 L HN 0.040 nan 8.230 nan 0.000 0.418 375 Q N 2.881 122.577 119.800 -0.174 0.000 2.327 375 Q HA 0.378 4.720 4.340 0.003 0.000 0.270 375 Q C -1.354 174.528 176.000 -0.196 0.000 1.022 375 Q CA -0.644 55.078 55.803 -0.135 0.000 0.773 375 Q CB 2.308 31.007 28.738 -0.065 0.000 1.251 375 Q HN 0.434 nan 8.270 nan 0.000 0.457 376 V N 3.967 123.730 119.914 -0.252 0.000 2.585 376 V HA 0.044 4.166 4.120 0.003 0.000 0.296 376 V C 0.178 176.194 176.094 -0.130 0.000 1.035 376 V CA -0.154 61.951 62.300 -0.325 0.000 1.084 376 V CB 1.241 32.599 31.823 -0.776 0.000 0.953 376 V HN 0.577 nan 8.190 nan 0.000 0.483 377 V N 5.849 125.734 119.914 -0.048 0.000 2.352 377 V HA 0.148 4.269 4.120 0.003 0.000 0.253 377 V C 0.688 176.815 176.094 0.054 0.000 1.083 377 V CA -0.053 62.277 62.300 0.050 0.000 0.993 377 V CB 0.418 32.325 31.823 0.140 0.000 1.111 377 V HN 1.104 nan 8.190 nan 0.000 0.490 378 D N 2.289 122.731 120.400 0.071 0.000 2.431 378 D HA 0.114 4.756 4.640 0.003 0.000 0.213 378 D C 0.424 176.767 176.300 0.072 0.000 1.130 378 D CA -0.022 54.034 54.000 0.094 0.000 0.834 378 D CB 0.631 41.555 40.800 0.207 0.000 0.985 378 D HN 0.510 nan 8.370 nan 0.000 0.504 379 Q N 0.192 120.034 119.800 0.070 0.000 2.379 379 Q HA 0.385 4.727 4.340 0.003 0.000 0.278 379 Q C -2.965 173.076 176.000 0.068 0.000 1.068 379 Q CA -2.222 53.614 55.803 0.055 0.000 0.816 379 Q CB 2.891 31.666 28.738 0.061 0.000 1.387 379 Q HN -0.159 nan 8.270 nan 0.000 0.413 380 P HA 0.148 nan 4.420 nan 0.000 0.271 380 P C -1.117 176.244 177.300 0.101 0.000 1.226 380 P CA 0.395 63.536 63.100 0.068 0.000 0.765 380 P CB 0.338 32.050 31.700 0.021 0.000 0.835 381 L N 5.822 127.145 121.223 0.167 0.000 2.362 381 L HA 0.560 4.902 4.340 0.003 0.000 0.271 381 L C -2.189 174.775 176.870 0.156 0.000 1.002 381 L CA -2.704 52.246 54.840 0.184 0.000 0.818 381 L CB 2.284 44.498 42.059 0.259 0.000 1.298 381 L HN 0.188 nan 8.230 nan 0.000 0.420 382 P HA 0.064 nan 4.420 nan 0.000 0.275 382 P C -0.554 176.744 177.300 -0.003 0.000 1.228 382 P CA -0.242 62.866 63.100 0.013 0.000 0.786 382 P CB 1.166 32.880 31.700 0.023 0.000 0.927 383 V N 5.410 125.198 119.914 -0.211 0.000 2.470 383 V HA 0.070 4.192 4.120 0.003 0.000 0.276 383 V C 1.815 177.893 176.094 -0.027 0.000 1.040 383 V CA 0.210 62.354 62.300 -0.259 0.000 1.008 383 V CB 0.255 31.737 31.823 -0.568 0.000 0.990 383 V HN 0.533 nan 8.190 nan 0.000 0.477 384 R N 2.993 123.561 120.500 0.112 0.000 2.254 384 R HA 0.365 4.707 4.340 0.003 0.000 0.193 384 R C 0.824 177.164 176.300 0.067 0.000 0.929 384 R CA 0.719 56.868 56.100 0.082 0.000 1.038 384 R CB 0.590 30.953 30.300 0.106 0.000 1.009 384 R HN 0.957 nan 8.270 nan 0.000 0.512 385 G N -0.558 108.300 108.800 0.098 0.000 2.535 385 G HA2 0.350 4.312 3.960 0.003 0.000 0.662 385 G HA3 0.350 4.312 3.960 0.003 0.000 0.662 385 G C -0.420 174.533 174.900 0.089 0.000 1.417 385 G CA -0.355 44.786 45.100 0.067 0.000 0.866 385 G HN 0.479 nan 8.290 nan 0.000 0.647 386 G N 0.732 109.568 108.800 0.060 0.000 2.357 386 G HA2 0.415 4.377 3.960 0.003 0.000 0.643 386 G HA3 0.415 4.377 3.960 0.003 0.000 0.643 386 G C -0.593 174.313 174.900 0.010 0.000 1.358 386 G CA -0.177 44.940 45.100 0.027 0.000 0.986 386 G HN 1.205 nan 8.290 nan 0.000 0.620 387 N N -1.327 117.291 118.700 -0.138 0.000 2.399 387 N HA 0.544 5.286 4.740 0.003 0.000 0.250 387 N C -0.012 175.469 175.510 -0.048 0.000 1.272 387 N CA -0.032 52.874 53.050 -0.241 0.000 0.928 387 N CB 1.578 39.653 38.487 -0.686 0.000 1.158 387 N HN 0.578 nan 8.380 nan 0.000 0.463 388 V N -0.420 119.535 119.914 0.067 0.000 2.656 388 V HA 0.686 4.808 4.120 0.003 0.000 0.307 388 V C 0.561 176.848 176.094 0.323 0.000 1.051 388 V CA -0.906 61.562 62.300 0.281 0.000 0.893 388 V CB 1.790 33.793 31.823 0.299 0.000 0.999 388 V HN 0.751 nan 8.190 nan 0.000 0.426 389 G N 3.529 112.560 108.800 0.386 0.000 2.432 389 G HA2 0.830 4.792 3.960 0.003 0.000 0.331 389 G HA3 0.830 4.792 3.960 0.003 0.000 0.331 389 G C -1.170 173.759 174.900 0.049 0.000 1.170 389 G CA -0.598 44.637 45.100 0.225 0.000 0.943 389 G HN 0.583 nan 8.290 nan 0.000 0.483 390 I N 1.394 121.886 120.570 -0.130 0.000 2.569 390 I HA 0.286 4.458 4.170 0.003 0.000 0.290 390 I C -1.198 174.852 176.117 -0.112 0.000 1.088 390 I CA -1.047 60.203 61.300 -0.083 0.000 1.047 390 I CB 2.430 40.395 38.000 -0.058 0.000 1.237 390 I HN 0.259 nan 8.210 nan 0.000 0.421 391 N N 3.179 121.814 118.700 -0.108 0.000 2.405 391 N HA 0.505 5.247 4.740 0.003 0.000 0.299 391 N C -1.044 174.167 175.510 -0.499 0.000 1.075 391 N CA -0.423 52.439 53.050 -0.313 0.000 0.884 391 N CB 2.271 40.437 38.487 -0.536 0.000 1.194 391 N HN 0.466 nan 8.380 nan 0.000 0.491 392 S N 1.581 116.900 115.700 -0.634 0.000 2.720 392 S HA 0.602 5.074 4.470 0.003 0.000 0.278 392 S C -1.858 172.414 174.600 -0.547 0.000 1.172 392 S CA -0.567 57.345 58.200 -0.480 0.000 1.019 392 S CB -0.159 62.957 63.200 -0.141 0.000 1.049 392 S HN 0.274 nan 8.310 nan 0.000 0.483 393 F N 2.437 121.918 119.950 -0.782 0.000 2.467 393 F HA 0.633 5.161 4.527 0.002 0.000 0.336 393 F C 0.948 176.493 175.800 -0.424 0.000 1.123 393 F CA -1.209 56.467 58.000 -0.539 0.000 0.964 393 F CB 1.446 40.173 39.000 -0.456 0.000 1.136 393 F HN 0.584 nan 8.300 nan 0.000 0.447 394 G N 1.506 110.317 108.800 0.019 0.000 2.476 394 G HA2 0.310 4.272 3.960 0.003 0.000 0.269 394 G HA3 0.310 4.272 3.960 0.003 0.000 0.269 394 G C 0.464 175.418 174.900 0.090 0.000 1.195 394 G CA -0.587 44.536 45.100 0.037 0.000 0.843 394 G HN 0.693 nan 8.290 nan 0.000 0.545 395 F N 0.037 120.065 119.950 0.129 0.000 2.546 395 F HA 0.159 4.688 4.527 0.003 0.000 0.298 395 F C 1.766 177.630 175.800 0.107 0.000 1.120 395 F CA 0.523 58.606 58.000 0.140 0.000 1.456 395 F CB 0.031 39.153 39.000 0.202 0.000 1.088 395 F HN 0.354 nan 8.300 nan 0.000 0.572 396 G N -0.508 108.118 108.800 -0.289 0.000 3.042 396 G HA2 0.357 4.319 3.960 0.003 0.000 0.212 396 G HA3 0.357 4.319 3.960 0.003 0.000 0.212 396 G C 1.350 176.216 174.900 -0.058 0.000 1.166 396 G CA 0.162 45.150 45.100 -0.186 0.000 0.767 396 G HN 1.015 nan 8.290 nan 0.000 0.546 397 G N -0.713 108.067 108.800 -0.032 0.000 2.184 397 G HA2 -0.221 3.741 3.960 0.003 0.000 0.206 397 G HA3 -0.221 3.741 3.960 0.003 0.000 0.206 397 G C 0.354 175.234 174.900 -0.034 0.000 0.995 397 G CA 0.115 45.200 45.100 -0.024 0.000 0.651 397 G HN 0.494 nan 8.290 nan 0.000 0.511 398 S N 1.933 117.616 115.700 -0.029 0.000 2.448 398 S HA 0.503 4.974 4.470 0.003 0.000 0.279 398 S C 0.107 174.729 174.600 0.037 0.000 1.195 398 S CA -0.439 57.757 58.200 -0.006 0.000 1.051 398 S CB 0.529 63.722 63.200 -0.011 0.000 0.948 398 S HN 0.432 nan 8.310 nan 0.000 0.493 399 N N 2.202 120.933 118.700 0.051 0.000 2.405 399 N HA 0.551 5.293 4.740 0.003 0.000 0.299 399 N C -0.971 174.643 175.510 0.172 0.000 1.075 399 N CA -0.449 52.710 53.050 0.182 0.000 0.884 399 N CB 1.805 40.312 38.487 0.033 0.000 1.194 399 N HN 0.228 nan 8.380 nan 0.000 0.491 400 V N 1.027 121.073 119.914 0.219 0.000 2.789 400 V HA 0.388 4.510 4.120 0.003 0.000 0.311 400 V C -0.941 175.253 176.094 0.166 0.000 1.073 400 V CA -0.679 61.695 62.300 0.123 0.000 0.921 400 V CB 1.987 33.831 31.823 0.035 0.000 1.009 400 V HN 0.808 nan 8.190 nan 0.000 0.426 401 H N 3.577 122.663 119.070 0.027 0.000 2.865 401 H HA 0.796 5.354 4.556 0.003 0.000 0.362 401 H C -1.117 174.195 175.328 -0.026 0.000 1.114 401 H CA -0.534 55.520 56.048 0.011 0.000 1.208 401 H CB 1.818 31.613 29.762 0.055 0.000 1.727 401 H HN 0.815 nan 8.280 nan 0.000 0.534 402 I N 2.688 122.909 120.570 -0.582 0.000 2.730 402 I HA 0.592 4.764 4.170 0.003 0.000 0.298 402 I C -1.454 174.397 176.117 -0.443 0.000 1.089 402 I CA -1.096 59.955 61.300 -0.415 0.000 1.041 402 I CB 2.403 40.247 38.000 -0.261 0.000 1.235 402 I HN 0.507 nan 8.210 nan 0.000 0.423 403 I N 5.669 126.111 120.570 -0.212 0.000 2.406 403 I HA 0.468 4.640 4.170 0.003 0.000 0.290 403 I C -0.722 175.351 176.117 -0.074 0.000 0.999 403 I CA -0.621 60.656 61.300 -0.039 0.000 1.124 403 I CB 1.951 40.008 38.000 0.097 0.000 1.289 403 I HN 0.439 nan 8.210 nan 0.000 0.441 404 L N 5.872 127.076 121.223 -0.032 0.000 2.346 404 L HA 0.598 4.940 4.340 0.003 0.000 0.274 404 L C -0.110 176.741 176.870 -0.032 0.000 1.007 404 L CA -0.760 54.067 54.840 -0.022 0.000 0.818 404 L CB 2.053 44.127 42.059 0.025 0.000 1.284 404 L HN 0.549 nan 8.230 nan 0.000 0.424 405 R N 3.298 123.784 120.500 -0.022 0.000 2.275 405 R HA 0.418 4.760 4.340 0.003 0.000 0.326 405 R C -2.579 173.725 176.300 0.006 0.000 0.973 405 R CA -1.573 54.513 56.100 -0.024 0.000 0.854 405 R CB 1.296 31.580 30.300 -0.028 0.000 1.156 405 R HN 0.243 nan 8.270 nan 0.000 0.487 406 P HA -0.048 nan 4.420 nan 0.000 0.267 406 P C -1.034 176.270 177.300 0.005 0.000 1.200 406 P CA -0.126 62.987 63.100 0.022 0.000 0.772 406 P CB 0.535 32.245 31.700 0.017 0.000 0.855 407 N N 1.403 120.107 118.700 0.006 0.000 2.442 407 N HA 0.094 4.836 4.740 0.003 0.000 0.265 407 N C 0.284 175.776 175.510 -0.029 0.000 1.138 407 N CA 0.128 53.171 53.050 -0.010 0.000 0.956 407 N CB -0.023 38.454 38.487 -0.018 0.000 1.067 407 N HN 0.316 nan 8.380 nan 0.000 0.474 408 T N 0.040 114.576 114.554 -0.029 0.000 3.182 408 T HA 0.119 4.471 4.350 0.003 0.000 0.277 408 T C 0.458 175.133 174.700 -0.041 0.000 1.013 408 T CA -0.513 61.563 62.100 -0.040 0.000 0.900 408 T CB -0.284 68.564 68.868 -0.032 0.000 1.098 408 T HN 0.513 nan 8.240 nan 0.000 0.543 409 Q N 4.133 123.909 119.800 -0.039 0.000 2.339 409 Q HA 0.154 4.496 4.340 0.003 0.000 0.308 409 Q C -2.257 173.713 176.000 -0.050 0.000 1.097 409 Q CA -1.028 54.751 55.803 -0.039 0.000 1.007 409 Q CB 0.426 29.142 28.738 -0.037 0.000 1.051 409 Q HN 0.272 nan 8.270 nan 0.000 0.381 410 P HA 0.264 nan 4.420 nan 0.000 0.276 410 P C -2.556 174.712 177.300 -0.054 0.000 1.252 410 P CA -1.539 61.531 63.100 -0.049 0.000 0.802 410 P CB 0.111 31.787 31.700 -0.040 0.000 1.035 411 P HA 0.190 nan 4.420 nan 0.000 0.269 411 P C -2.051 175.217 177.300 -0.052 0.000 1.215 411 P CA -0.823 62.242 63.100 -0.057 0.000 0.780 411 P CB -1.362 30.305 31.700 -0.055 0.000 0.898 412 P HA 0.117 nan 4.420 nan 0.000 0.269 412 P C -0.731 176.543 177.300 -0.044 0.000 1.215 412 P CA -0.185 62.885 63.100 -0.050 0.000 0.780 412 P CB 0.274 31.942 31.700 -0.052 0.000 0.898 413 A N 3.332 126.130 122.820 -0.037 0.000 2.425 413 A HA 0.422 4.744 4.320 0.003 0.000 0.249 413 A C -1.816 175.739 177.584 -0.049 0.000 1.084 413 A CA -1.072 50.944 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 0.439 nan 8.150 nan 0.000 0.490 414 P HA 0.331 nan 4.420 nan 0.000 0.261 414 P C -0.297 176.951 177.300 -0.087 0.000 1.183 414 P CA 0.647 63.703 63.100 -0.072 0.000 0.761 414 P CB 0.670 32.338 31.700 -0.054 0.000 0.785 415 A N 5.369 128.097 122.820 -0.154 0.000 2.430 415 A HA 0.663 4.985 4.320 0.003 0.000 0.300 415 A C -1.794 175.658 177.584 -0.220 0.000 1.124 415 A CA -1.288 50.642 52.037 -0.178 0.000 0.766 415 A CB 0.660 19.528 19.000 -0.220 0.000 1.328 415 A HN 0.260 nan 8.150 nan 0.000 0.424 416 P HA -0.154 nan 4.420 nan 0.000 0.215 416 P C 1.002 178.274 177.300 -0.046 0.000 1.157 416 P CA 2.127 65.197 63.100 -0.050 0.000 0.863 416 P CB -0.229 31.486 31.700 0.025 0.000 0.787 417 H N -0.748 118.349 119.070 0.045 0.000 2.491 417 H HA 0.168 4.726 4.556 0.003 0.000 0.290 417 H C 1.623 176.974 175.328 0.039 0.000 1.050 417 H CA 1.109 57.203 56.048 0.076 0.000 1.309 417 H CB -1.219 28.611 29.762 0.114 0.000 1.392 417 H HN 0.044 nan 8.280 nan 0.000 0.554 418 A N 0.727 123.227 122.820 -0.533 0.000 2.178 418 A HA -0.118 4.204 4.320 0.003 0.000 0.218 418 A C 2.202 179.718 177.584 -0.114 0.000 1.157 418 A CA 1.480 53.337 52.037 -0.300 0.000 0.689 418 A CB -1.000 17.794 19.000 -0.344 0.000 0.787 418 A HN 0.726 nan 8.150 nan 0.000 0.465 419 T N -2.150 112.363 114.554 -0.069 0.000 3.081 419 T HA 0.351 4.703 4.350 0.003 0.000 0.255 419 T C 0.642 175.352 174.700 0.017 0.000 1.113 419 T CA -0.184 61.904 62.100 -0.021 0.000 1.082 419 T CB -0.397 68.465 68.868 -0.009 0.000 0.939 419 T HN 0.254 nan 8.240 nan 0.000 0.506 420 L N 2.767 124.018 121.223 0.048 0.000 2.452 420 L HA 0.352 4.694 4.340 0.003 0.000 0.267 420 L C -1.840 175.049 176.870 0.031 0.000 1.188 420 L CA -2.266 52.631 54.840 0.094 0.000 0.821 420 L CB 0.069 42.264 42.059 0.226 0.000 1.102 420 L HN 0.034 nan 8.230 nan 0.000 0.470 421 P HA 0.221 nan 4.420 nan 0.000 0.272 421 P C -0.953 176.315 177.300 -0.054 0.000 1.240 421 P CA -0.416 62.704 63.100 0.033 0.000 0.791 421 P CB 0.890 32.648 31.700 0.095 0.000 0.978 422 R N 0.264 120.706 120.500 -0.097 0.000 2.837 422 R HA 0.567 4.909 4.340 0.003 0.000 0.271 422 R C -0.746 175.548 176.300 -0.010 0.000 0.993 422 R CA -1.191 54.783 56.100 -0.210 0.000 0.931 422 R CB 1.211 31.337 30.300 -0.291 0.000 1.206 422 R HN 0.413 nan 8.270 nan 0.000 0.474 423 L N 2.143 123.395 121.223 0.050 0.000 2.295 423 L HA 0.532 4.874 4.340 0.003 0.000 0.285 423 L C -1.204 175.681 176.870 0.025 0.000 1.035 423 L CA -0.670 54.209 54.840 0.066 0.000 0.806 423 L CB 1.258 43.359 42.059 0.069 0.000 1.214 423 L HN 0.505 nan 8.230 nan 0.000 0.426 424 L N 5.677 126.921 121.223 0.035 0.000 2.333 424 L HA 0.689 5.031 4.340 0.003 0.000 0.280 424 L C -0.605 176.261 176.870 -0.007 0.000 1.004 424 L CA -0.277 54.559 54.840 -0.007 0.000 0.820 424 L CB 1.202 43.257 42.059 -0.006 0.000 1.247 424 L HN 0.827 nan 8.230 nan 0.000 0.416 425 R N 4.463 124.898 120.500 -0.110 0.000 2.732 425 R HA 1.016 5.357 4.340 0.003 0.000 0.278 425 R C -1.256 174.953 176.300 -0.150 0.000 0.976 425 R CA -0.711 55.246 56.100 -0.238 0.000 0.963 425 R CB 1.735 31.596 30.300 -0.731 0.000 1.150 425 R HN 0.722 nan 8.270 nan 0.000 0.478 426 A N 1.245 124.068 122.820 0.005 0.000 2.572 426 A HA 0.692 5.013 4.320 0.003 0.000 0.295 426 A C -1.221 176.506 177.584 0.238 0.000 1.072 426 A CA -0.791 51.295 52.037 0.081 0.000 0.691 426 A CB 2.359 21.384 19.000 0.042 0.000 1.291 426 A HN 0.688 nan 8.150 nan 0.000 0.404 427 S N -0.934 114.853 115.700 0.145 0.000 2.569 427 S HA 0.952 5.424 4.470 0.003 0.000 0.280 427 S C -0.150 174.468 174.600 0.030 0.000 1.111 427 S CA -0.105 58.168 58.200 0.122 0.000 0.887 427 S CB 2.130 65.407 63.200 0.129 0.000 1.095 427 S HN 1.950 nan 8.310 nan 0.000 0.476 428 G N 0.328 109.141 108.800 0.023 0.000 2.601 428 G HA2 0.421 4.383 3.960 0.003 0.000 0.291 428 G HA3 0.421 4.383 3.960 0.003 0.000 0.291 428 G C -0.317 174.580 174.900 -0.005 0.000 1.456 428 G CA -0.707 44.354 45.100 -0.065 0.000 0.804 428 G HN 0.407 nan 8.290 nan 0.000 0.499 429 R N -0.806 119.608 120.500 -0.144 0.000 2.148 429 R HA 0.090 4.431 4.340 0.003 0.000 0.223 429 R C 1.273 177.626 176.300 0.088 0.000 1.088 429 R CA 1.563 57.630 56.100 -0.054 0.000 0.985 429 R CB -0.273 29.903 30.300 -0.208 0.000 0.880 429 R HN 0.796 nan 8.270 nan 0.000 0.451 430 T N -4.266 110.235 114.554 -0.090 0.000 2.812 430 T HA 0.369 4.721 4.350 0.003 0.000 0.294 430 T C -2.495 171.848 174.700 -0.594 0.000 1.159 430 T CA -1.783 60.064 62.100 -0.422 0.000 1.008 430 T CB 2.745 71.430 68.868 -0.304 0.000 1.289 430 T HN -0.302 nan 8.240 nan 0.000 0.514 431 P HA 0.051 nan 4.420 nan 0.000 0.217 431 P C 1.045 178.188 177.300 -0.263 0.000 1.151 431 P CA 0.979 63.759 63.100 -0.535 0.000 0.828 431 P CB 0.047 31.442 31.700 -0.509 0.000 0.788 432 E N -0.164 119.888 120.200 -0.246 0.000 2.153 432 E HA -0.105 4.247 4.350 0.003 0.000 0.194 432 E C 2.103 178.626 176.600 -0.129 0.000 0.988 432 E CA 1.345 57.655 56.400 -0.149 0.000 0.811 432 E CB -0.926 28.701 29.700 -0.123 0.000 0.746 432 E HN 0.157 nan 8.360 nan 0.000 0.466 433 A N 0.457 123.178 122.820 -0.164 0.000 1.898 433 A HA -0.130 4.192 4.320 0.003 0.000 0.216 433 A C 2.424 179.944 177.584 -0.106 0.000 1.181 433 A CA 1.215 53.155 52.037 -0.162 0.000 0.620 433 A CB -0.584 18.276 19.000 -0.234 0.000 0.819 433 A HN 0.148 nan 8.150 nan 0.000 0.442 434 V N -0.208 119.656 119.914 -0.082 0.000 2.270 434 V HA -0.311 3.810 4.120 0.003 0.000 0.245 434 V C 2.616 178.692 176.094 -0.031 0.000 1.043 434 V CA 2.237 64.520 62.300 -0.028 0.000 1.014 434 V CB -1.055 30.779 31.823 0.019 0.000 0.645 434 V HN 0.629 nan 8.190 nan 0.000 0.447 435 Q N -0.065 119.705 119.800 -0.049 0.000 2.112 435 Q HA -0.301 4.041 4.340 0.003 0.000 0.206 435 Q C 2.298 178.285 176.000 -0.023 0.000 0.987 435 Q CA 2.102 57.880 55.803 -0.041 0.000 0.858 435 Q CB -0.301 28.404 28.738 -0.054 0.000 0.905 435 Q HN 0.444 nan 8.270 nan 0.000 0.420 436 K N 0.979 121.363 120.400 -0.026 0.000 2.057 436 K HA -0.126 4.196 4.320 0.003 0.000 0.207 436 K C 1.653 178.269 176.600 0.027 0.000 1.049 436 K CA 1.377 57.664 56.287 0.000 0.000 0.931 436 K CB -0.340 32.153 32.500 -0.011 0.000 0.714 436 K HN 0.200 nan 8.250 nan 0.000 0.440 437 L N 0.089 121.317 121.223 0.009 0.000 2.072 437 L HA -0.084 4.258 4.340 0.003 0.000 0.205 437 L C 2.324 179.211 176.870 0.029 0.000 1.079 437 L CA 0.906 55.758 54.840 0.020 0.000 0.752 437 L CB -0.382 41.667 42.059 -0.017 0.000 0.906 437 L HN 0.113 nan 8.230 nan 0.000 0.436 438 L N -0.287 120.944 121.223 0.012 0.000 2.093 438 L HA -0.199 4.143 4.340 0.003 0.000 0.208 438 L C 2.646 179.533 176.870 0.029 0.000 1.085 438 L CA 1.342 56.189 54.840 0.012 0.000 0.755 438 L CB -0.573 41.477 42.059 -0.014 0.000 0.904 438 L HN 0.383 nan 8.230 nan 0.000 0.435 439 E N -0.061 120.156 120.200 0.028 0.000 2.077 439 E HA -0.250 4.101 4.350 0.003 0.000 0.193 439 E C 2.166 178.804 176.600 0.064 0.000 0.989 439 E CA 1.063 57.481 56.400 0.030 0.000 0.800 439 E CB 0.084 29.795 29.700 0.019 0.000 0.746 439 E HN 0.409 nan 8.360 nan 0.000 0.452 440 Q N 0.091 119.966 119.800 0.124 0.000 2.119 440 Q HA -0.057 4.285 4.340 0.003 0.000 0.201 440 Q C 2.260 178.480 176.000 0.368 0.000 0.972 440 Q CA 1.408 57.355 55.803 0.241 0.000 0.847 440 Q CB -0.686 28.256 28.738 0.340 0.000 0.903 440 Q HN 0.470 nan 8.270 nan 0.000 0.433 441 G N 1.347 110.321 108.800 0.291 0.000 2.446 441 G HA2 -0.254 3.708 3.960 0.003 0.000 0.217 441 G HA3 -0.254 3.708 3.960 0.003 0.000 0.217 441 G C 1.500 176.508 174.900 0.180 0.000 1.168 441 G CA 0.953 46.211 45.100 0.262 0.000 0.771 441 G HN 0.350 nan 8.290 nan 0.000 0.551 442 L N 0.901 122.179 121.223 0.092 0.000 2.042 442 L HA -0.000 4.341 4.340 0.003 0.000 0.210 442 L C 2.736 179.606 176.870 0.000 0.000 1.076 442 L CA 2.502 57.366 54.840 0.040 0.000 0.749 442 L CB -0.603 41.465 42.059 0.014 0.000 0.893 442 L HN 0.311 nan 8.230 nan 0.000 0.432 443 R N -1.448 119.023 120.500 -0.049 0.000 2.120 443 R HA -0.140 4.202 4.340 0.003 0.000 0.234 443 R C 0.505 176.586 176.300 -0.366 0.000 1.123 443 R CA 1.417 57.383 56.100 -0.224 0.000 0.975 443 R CB -0.273 29.841 30.300 -0.311 0.000 0.866 443 R HN 0.556 nan 8.270 nan 0.000 0.446 444 H N 0.202 119.304 119.070 0.054 0.000 2.505 444 H HA 0.120 4.677 4.556 0.003 0.000 0.260 444 H C 0.902 176.288 175.328 0.097 0.000 1.232 444 H CA 0.377 56.442 56.048 0.028 0.000 0.991 444 H CB 1.068 30.769 29.762 -0.102 0.000 1.729 444 H HN 0.298 nan 8.280 nan 0.000 0.561 445 S N 0.123 115.895 115.700 0.119 0.000 2.474 445 S HA -0.135 4.337 4.470 0.003 0.000 0.235 445 S C 1.427 176.064 174.600 0.060 0.000 0.997 445 S CA 0.628 58.880 58.200 0.087 0.000 0.949 445 S CB 0.129 63.355 63.200 0.042 0.000 0.766 445 S HN 0.447 nan 8.310 nan 0.000 0.517 446 Q N 0.479 120.313 119.800 0.057 0.000 2.282 446 Q HA 0.230 4.571 4.340 0.003 0.000 0.206 446 Q C -0.366 175.654 176.000 0.033 0.000 0.878 446 Q CA -0.022 55.796 55.803 0.024 0.000 0.944 446 Q CB -0.164 28.577 28.738 0.004 0.000 1.100 446 Q HN 0.458 nan 8.270 nan 0.000 0.509 447 D N 1.829 122.279 120.400 0.085 0.000 2.483 447 D HA 0.130 4.772 4.640 0.003 0.000 0.220 447 D C 1.025 177.388 176.300 0.106 0.000 1.173 447 D CA -0.076 53.974 54.000 0.085 0.000 0.964 447 D CB 0.422 41.277 40.800 0.093 0.000 1.046 447 D HN 0.132 nan 8.370 nan 0.000 0.517 448 L N 2.406 123.653 121.223 0.039 0.000 2.042 448 L HA -0.211 4.131 4.340 0.003 0.000 0.210 448 L C 2.477 179.364 176.870 0.029 0.000 1.076 448 L CA 1.345 56.196 54.840 0.019 0.000 0.749 448 L CB -0.403 41.657 42.059 0.002 0.000 0.893 448 L HN 0.351 nan 8.230 nan 0.000 0.432 449 A N -0.197 122.634 122.820 0.018 0.000 1.902 449 A HA -0.257 4.065 4.320 0.003 0.000 0.217 449 A C 2.167 179.858 177.584 0.179 0.000 1.181 449 A CA 1.427 53.486 52.037 0.036 0.000 0.623 449 A CB -0.784 18.207 19.000 -0.014 0.000 0.818 449 A HN 0.379 nan 8.150 nan 0.000 0.443 450 F N 0.783 120.735 119.950 0.003 0.000 2.095 450 F HA -0.147 4.382 4.527 0.003 0.000 0.298 450 F C 1.901 177.716 175.800 0.025 0.000 1.104 450 F CA 1.675 59.675 58.000 -0.001 0.000 1.232 450 F CB -0.395 38.576 39.000 -0.048 0.000 0.987 450 F HN 0.143 nan 8.300 nan 0.000 0.475 451 L N -1.083 120.123 121.223 -0.028 0.000 2.093 451 L HA -0.172 4.169 4.340 0.003 0.000 0.208 451 L C 2.718 179.534 176.870 -0.089 0.000 1.085 451 L CA 1.368 56.129 54.840 -0.133 0.000 0.755 451 L CB -1.101 40.939 42.059 -0.032 0.000 0.904 451 L HN 0.193 nan 8.230 nan 0.000 0.435 452 S N 0.018 115.722 115.700 0.007 0.000 2.368 452 S HA -0.185 4.287 4.470 0.003 0.000 0.225 452 S C 2.067 176.706 174.600 0.066 0.000 1.030 452 S CA 1.349 59.593 58.200 0.074 0.000 0.999 452 S CB -0.091 63.212 63.200 0.171 0.000 0.844 452 S HN 0.281 nan 8.310 nan 0.000 0.459 453 M N 0.538 120.172 119.600 0.057 0.000 2.175 453 M HA 0.009 4.491 4.480 0.003 0.000 0.264 453 M C 2.096 178.332 176.300 -0.106 0.000 1.063 453 M CA 1.158 56.446 55.300 -0.019 0.000 1.119 453 M CB -0.426 32.174 32.600 -0.001 0.000 1.377 453 M HN 0.317 nan 8.290 nan 0.000 0.415 454 L N 0.076 121.171 121.223 -0.214 0.000 2.046 454 L HA -0.245 4.097 4.340 0.003 0.000 0.208 454 L C 2.150 178.942 176.870 -0.131 0.000 1.077 454 L CA 1.013 55.716 54.840 -0.229 0.000 0.747 454 L CB -0.869 40.965 42.059 -0.374 0.000 0.896 454 L HN 0.364 nan 8.230 nan 0.000 0.432 455 N N -0.020 118.616 118.700 -0.107 0.000 2.223 455 N HA -0.177 4.565 4.740 0.003 0.000 0.185 455 N C 1.394 176.876 175.510 -0.048 0.000 1.016 455 N CA 1.218 54.222 53.050 -0.076 0.000 0.863 455 N CB -0.288 38.172 38.487 -0.044 0.000 0.983 455 N HN 0.289 nan 8.380 nan 0.000 0.429 456 D N 0.508 120.887 120.400 -0.036 0.000 2.224 456 D HA -0.039 4.603 4.640 0.003 0.000 0.205 456 D C 1.796 178.084 176.300 -0.019 0.000 0.965 456 D CA 0.394 54.379 54.000 -0.025 0.000 0.852 456 D CB 0.016 40.791 40.800 -0.043 0.000 0.947 456 D HN 0.536 nan 8.370 nan 0.000 0.494 457 I N -2.937 117.618 120.570 -0.024 0.000 3.793 457 I HA 0.298 4.470 4.170 0.003 0.000 0.315 457 I C 1.690 177.833 176.117 0.043 0.000 1.275 457 I CA 0.015 61.319 61.300 0.006 0.000 1.214 457 I CB 0.220 38.217 38.000 -0.005 0.000 1.018 457 I HN -0.213 nan 8.210 nan 0.000 0.439 458 A N 1.529 124.366 122.820 0.028 0.000 2.123 458 A HA 0.498 4.820 4.320 0.003 0.000 0.214 458 A C 1.783 179.453 177.584 0.144 0.000 1.152 458 A CA 0.555 52.634 52.037 0.071 0.000 0.728 458 A CB -0.370 18.623 19.000 -0.012 0.000 0.814 458 A HN 0.511 nan 8.150 nan 0.000 0.464 459 A N 0.799 123.682 122.820 0.105 0.000 3.037 459 A HA 0.512 4.834 4.320 0.003 0.000 0.272 459 A C -0.235 177.411 177.584 0.104 0.000 1.723 459 A CA -0.038 52.067 52.037 0.114 0.000 1.413 459 A CB -0.844 18.200 19.000 0.073 0.000 1.112 459 A HN 0.207 nan 8.150 nan 0.000 0.606 460 V N 3.449 123.433 119.914 0.116 0.000 2.555 460 V HA 0.375 4.497 4.120 0.003 0.000 0.302 460 V C -2.126 174.007 176.094 0.064 0.000 1.038 460 V CA -1.764 60.604 62.300 0.113 0.000 0.887 460 V CB 1.790 33.709 31.823 0.161 0.000 0.991 460 V HN 0.615 nan 8.190 nan 0.000 0.434 461 P HA 0.121 nan 4.420 nan 0.000 0.269 461 P C 0.588 177.881 177.300 -0.012 0.000 1.209 461 P CA -0.072 63.027 63.100 -0.001 0.000 0.776 461 P CB 0.880 32.569 31.700 -0.018 0.000 0.876 462 A N 2.594 125.385 122.820 -0.049 0.000 2.019 462 A HA -0.161 4.161 4.320 0.003 0.000 0.219 462 A C 1.954 179.496 177.584 -0.070 0.000 1.164 462 A CA 2.187 54.177 52.037 -0.079 0.000 0.644 462 A CB -1.723 17.207 19.000 -0.117 0.000 0.805 462 A HN 0.671 nan 8.150 nan 0.000 0.449 463 T N -2.574 111.947 114.554 -0.056 0.000 2.867 463 T HA 0.130 4.481 4.350 0.003 0.000 0.268 463 T C 1.764 176.448 174.700 -0.026 0.000 1.057 463 T CA 1.507 63.576 62.100 -0.052 0.000 1.136 463 T CB -0.288 68.546 68.868 -0.058 0.000 0.874 463 T HN 0.507 nan 8.240 nan 0.000 0.466 464 A N 0.844 123.667 122.820 0.004 0.000 1.956 464 A HA 0.561 4.882 4.320 0.003 0.000 0.212 464 A C 1.407 179.108 177.584 0.195 0.000 1.188 464 A CA 0.105 52.194 52.037 0.087 0.000 0.675 464 A CB 0.024 19.070 19.000 0.076 0.000 0.845 464 A HN 0.518 nan 8.150 nan 0.000 0.455 465 M N 0.721 120.380 119.600 0.097 0.000 1.987 465 M HA 0.259 4.741 4.480 0.003 0.000 0.298 465 M C -2.271 174.020 176.300 -0.016 0.000 0.892 465 M CA -1.706 53.626 55.300 0.052 0.000 0.885 465 M CB 2.366 34.988 32.600 0.037 0.000 1.469 465 M HN 0.022 nan 8.290 nan 0.000 0.389 466 P HA 0.008 nan 4.420 nan 0.000 0.233 466 P C -0.371 176.584 177.300 -0.574 0.000 1.167 466 P CA 0.951 63.867 63.100 -0.307 0.000 0.770 466 P CB 0.021 31.505 31.700 -0.361 0.000 0.837 467 F N 0.107 120.026 119.950 -0.052 0.000 2.469 467 F HA 0.530 5.058 4.527 0.003 0.000 0.332 467 F C 1.113 176.883 175.800 -0.049 0.000 1.103 467 F CA -0.727 57.242 58.000 -0.052 0.000 0.979 467 F CB 1.804 40.774 39.000 -0.051 0.000 1.137 467 F HN -0.426 nan 8.300 nan 0.000 0.463 468 R N 0.556 121.113 120.500 0.095 0.000 2.808 468 R HA 0.841 5.182 4.340 0.003 0.000 0.272 468 R C -0.663 175.714 176.300 0.129 0.000 0.995 468 R CA -1.162 54.976 56.100 0.064 0.000 0.917 468 R CB 2.558 32.759 30.300 -0.164 0.000 1.217 468 R HN 0.896 nan 8.270 nan 0.000 0.471 469 G N 0.575 109.501 108.800 0.210 0.000 2.682 469 G HA2 0.570 4.532 3.960 0.003 0.000 0.290 469 G HA3 0.570 4.532 3.960 0.003 0.000 0.290 469 G C -2.059 173.005 174.900 0.272 0.000 1.425 469 G CA -0.537 44.660 45.100 0.162 0.000 0.807 469 G HN 0.545 nan 8.290 nan 0.000 0.482 470 Y N -2.180 118.164 120.300 0.072 0.000 2.655 470 Y HA 0.870 5.422 4.550 0.003 0.000 0.336 470 Y C -0.632 175.273 175.900 0.008 0.000 1.154 470 Y CA -1.418 56.699 58.100 0.027 0.000 1.055 470 Y CB 1.546 40.019 38.460 0.021 0.000 1.295 470 Y HN 1.366 nan 8.280 nan 0.000 0.465 471 A N 1.369 124.284 122.820 0.160 0.000 2.488 471 A HA 0.630 4.952 4.320 0.003 0.000 0.295 471 A C -2.093 175.603 177.584 0.186 0.000 1.045 471 A CA -0.731 51.346 52.037 0.067 0.000 0.703 471 A CB 1.286 20.285 19.000 -0.002 0.000 1.271 471 A HN 0.809 nan 8.150 nan 0.000 0.400 472 V N 3.650 123.679 119.914 0.193 0.000 2.432 472 V HA 0.333 4.455 4.120 0.003 0.000 0.271 472 V C 0.016 176.161 176.094 0.085 0.000 1.046 472 V CA 0.091 62.477 62.300 0.142 0.000 0.945 472 V CB 0.643 32.557 31.823 0.151 0.000 0.992 472 V HN 0.703 nan 8.190 nan 0.000 0.471 473 L N 3.934 125.191 121.223 0.057 0.000 2.334 473 L HA 0.735 5.077 4.340 0.003 0.000 0.275 473 L C 1.258 178.144 176.870 0.028 0.000 1.036 473 L CA 0.015 54.876 54.840 0.036 0.000 0.807 473 L CB 1.413 43.486 42.059 0.024 0.000 1.231 473 L HN 0.830 nan 8.230 nan 0.000 0.438 474 G N 1.431 110.247 108.800 0.027 0.000 2.148 474 G HA2 -0.193 3.769 3.960 0.003 0.000 0.254 474 G HA3 -0.193 3.769 3.960 0.003 0.000 0.254 474 G C 0.343 175.269 174.900 0.043 0.000 0.981 474 G CA 0.004 45.119 45.100 0.024 0.000 0.670 474 G HN 1.028 nan 8.290 nan 0.000 0.528 475 G N -1.304 107.531 108.800 0.058 0.000 2.511 475 G HA2 0.622 4.584 3.960 0.003 0.000 0.316 475 G HA3 0.622 4.584 3.960 0.003 0.000 0.316 475 G C 0.535 175.476 174.900 0.068 0.000 1.210 475 G CA 0.506 45.653 45.100 0.078 0.000 0.969 475 G HN 0.252 nan 8.290 nan 0.000 0.492 476 E N -0.580 119.668 120.200 0.080 0.000 2.006 476 E HA 0.008 4.359 4.350 0.003 0.000 0.192 476 E C 1.036 177.670 176.600 0.056 0.000 0.993 476 E CA 0.914 57.351 56.400 0.061 0.000 0.808 476 E CB 0.158 29.895 29.700 0.060 0.000 0.764 476 E HN 0.326 nan 8.360 nan 0.000 0.449 477 R N -1.760 118.785 120.500 0.074 0.000 2.919 477 R HA 0.606 4.948 4.340 0.003 0.000 0.260 477 R C -0.984 175.362 176.300 0.077 0.000 1.067 477 R CA -0.073 56.066 56.100 0.065 0.000 1.003 477 R CB 2.245 32.583 30.300 0.063 0.000 1.192 477 R HN 0.252 nan 8.270 nan 0.000 0.488 478 G N -0.338 108.496 108.800 0.057 0.000 3.014 478 G HA2 0.249 4.211 3.960 0.003 0.000 0.683 478 G HA3 0.249 4.211 3.960 0.003 0.000 0.683 478 G C -0.739 174.170 174.900 0.016 0.000 1.271 478 G CA -0.594 44.536 45.100 0.050 0.000 0.843 478 G HN 0.830 nan 8.290 nan 0.000 0.612 479 G N 1.380 110.169 108.800 -0.019 0.000 3.108 479 G HA2 0.936 4.898 3.960 0.003 0.000 0.268 479 G HA3 0.936 4.898 3.960 0.003 0.000 0.268 479 G C -2.487 172.340 174.900 -0.122 0.000 1.361 479 G CA -0.853 44.218 45.100 -0.049 0.000 1.047 479 G HN 0.745 nan 8.290 nan 0.000 0.540 480 P HA 0.285 nan 4.420 nan 0.000 0.275 480 P C -1.051 176.086 177.300 -0.270 0.000 1.228 480 P CA 0.030 63.006 63.100 -0.208 0.000 0.786 480 P CB 1.388 33.016 31.700 -0.120 0.000 0.927 481 E N 1.380 121.310 120.200 -0.450 0.000 2.199 481 E HA 0.446 4.797 4.350 0.003 0.000 0.265 481 E C -0.791 175.693 176.600 -0.192 0.000 0.882 481 E CA -0.842 55.344 56.400 -0.357 0.000 0.759 481 E CB 2.389 31.748 29.700 -0.567 0.000 1.148 481 E HN 0.153 nan 8.360 nan 0.000 0.412 482 V N 2.966 122.838 119.914 -0.070 0.000 2.735 482 V HA 0.473 4.595 4.120 0.003 0.000 0.310 482 V C -0.332 175.797 176.094 0.058 0.000 1.061 482 V CA -0.726 61.581 62.300 0.010 0.000 0.913 482 V CB 2.046 33.872 31.823 0.006 0.000 1.005 482 V HN 0.726 nan 8.190 nan 0.000 0.428 483 Q N 2.341 122.206 119.800 0.109 0.000 2.522 483 Q HA 0.559 4.901 4.340 0.003 0.000 0.285 483 Q C -1.223 174.836 176.000 0.098 0.000 0.982 483 Q CA -0.934 54.934 55.803 0.109 0.000 0.805 483 Q CB 2.054 30.818 28.738 0.044 0.000 1.457 483 Q HN 0.656 nan 8.270 nan 0.000 0.394 484 Q N 1.073 120.878 119.800 0.008 0.000 2.327 484 Q HA 0.419 4.760 4.340 0.003 0.000 0.254 484 Q C -1.135 174.707 176.000 -0.264 0.000 0.952 484 Q CA -0.531 55.041 55.803 -0.386 0.000 0.884 484 Q CB 1.345 29.846 28.738 -0.395 0.000 1.224 484 Q HN 0.532 nan 8.270 nan 0.000 0.422 485 V N 6.813 126.533 119.914 -0.323 0.000 2.408 485 V HA 0.251 4.372 4.120 0.003 0.000 0.267 485 V C -1.997 173.982 176.094 -0.192 0.000 1.047 485 V CA -1.578 60.594 62.300 -0.213 0.000 0.937 485 V CB 0.456 32.157 31.823 -0.204 0.000 0.999 485 V HN 0.871 nan 8.190 nan 0.000 0.472 486 P HA 0.174 nan 4.420 nan 0.000 0.262 486 P C -0.037 177.163 177.300 -0.167 0.000 1.182 486 P CA 0.191 63.203 63.100 -0.147 0.000 0.761 486 P CB 0.425 32.051 31.700 -0.122 0.000 0.795 487 A N 3.180 125.897 122.820 -0.171 0.000 2.366 487 A HA 0.613 4.934 4.320 0.003 0.000 0.249 487 A C 0.832 178.298 177.584 -0.198 0.000 1.084 487 A CA 0.702 52.643 52.037 -0.160 0.000 0.794 487 A CB -0.601 18.320 19.000 -0.131 0.000 1.034 487 A HN 0.889 nan 8.150 nan 0.000 0.491 488 G N -0.079 108.633 108.800 -0.147 0.000 2.555 488 G HA2 0.029 3.991 3.960 0.003 0.000 0.686 488 G HA3 0.029 3.991 3.960 0.003 0.000 0.686 488 G C -0.642 174.204 174.900 -0.089 0.000 1.275 488 G CA -0.385 44.635 45.100 -0.134 0.000 0.871 488 G HN 0.895 nan 8.290 nan 0.000 0.603 489 E N 0.359 120.532 120.200 -0.045 0.000 2.338 489 E HA 0.321 4.673 4.350 0.003 0.000 0.272 489 E C 0.269 176.881 176.600 0.019 0.000 1.029 489 E CA -0.086 56.308 56.400 -0.011 0.000 0.872 489 E CB 0.565 30.269 29.700 0.007 0.000 1.015 489 E HN 0.402 nan 8.360 nan 0.000 0.417 490 R N 4.483 124.999 120.500 0.027 0.000 2.358 490 R HA 0.313 4.655 4.340 0.003 0.000 0.309 490 R C -2.325 174.029 176.300 0.090 0.000 1.026 490 R CA -1.841 54.298 56.100 0.064 0.000 0.909 490 R CB 1.386 31.710 30.300 0.039 0.000 1.153 490 R HN 0.301 nan 8.270 nan 0.000 0.515 491 P HA 0.018 nan 4.420 nan 0.000 0.271 491 P C -0.624 176.827 177.300 0.251 0.000 1.216 491 P CA -0.530 62.680 63.100 0.183 0.000 0.771 491 P CB 0.848 32.736 31.700 0.312 0.000 0.864 492 L N 4.765 126.066 121.223 0.130 0.000 2.264 492 L HA 0.475 4.816 4.340 0.003 0.000 0.289 492 L C -1.280 175.622 176.870 0.053 0.000 1.044 492 L CA -0.229 54.694 54.840 0.138 0.000 0.807 492 L CB 0.081 42.170 42.059 0.050 0.000 1.192 492 L HN 0.274 nan 8.230 nan 0.000 0.425 493 W N 4.902 126.241 121.300 0.065 0.000 2.632 493 W HA 0.533 5.195 4.660 0.003 0.000 0.328 493 W C -0.923 175.785 176.519 0.316 0.000 1.044 493 W CA -0.328 57.063 57.345 0.077 0.000 1.225 493 W CB 1.482 30.980 29.460 0.063 0.000 1.396 493 W HN 0.185 nan 8.180 nan 0.000 0.499 494 F N 4.828 124.861 119.950 0.139 0.000 2.427 494 F HA 0.463 4.992 4.527 0.003 0.000 0.346 494 F C 0.042 175.941 175.800 0.166 0.000 1.120 494 F CA -2.041 56.023 58.000 0.106 0.000 1.033 494 F CB 0.855 39.860 39.000 0.008 0.000 1.126 494 F HN -0.074 nan 8.300 nan 0.000 0.462 495 I N 3.608 124.384 120.570 0.344 0.000 2.354 495 I HA 0.208 4.380 4.170 0.003 0.000 0.286 495 I C -0.563 175.690 176.117 0.226 0.000 1.007 495 I CA -0.505 60.986 61.300 0.318 0.000 1.167 495 I CB 0.975 39.177 38.000 0.335 0.000 1.320 495 I HN 0.411 nan 8.210 nan 0.000 0.458 496 C N 5.190 124.616 119.300 0.210 0.000 2.246 496 C HA 0.429 4.891 4.460 0.003 0.000 0.329 496 C C 1.223 176.291 174.990 0.131 0.000 1.221 496 C CA -0.469 58.627 59.018 0.130 0.000 1.697 496 C CB -0.311 27.480 27.740 0.086 0.000 2.312 496 C HN 0.791 nan 8.230 nan 0.000 0.509 497 S N 1.803 117.544 115.700 0.069 0.000 2.596 497 S HA 0.560 5.032 4.470 0.003 0.000 0.260 497 S C 0.894 175.501 174.600 0.011 0.000 1.336 497 S CA -0.035 58.160 58.200 -0.008 0.000 0.993 497 S CB 0.889 64.055 63.200 -0.056 0.000 0.923 497 S HN 0.971 nan 8.310 nan 0.000 0.567 498 G N 0.192 108.977 108.800 -0.026 0.000 3.341 498 G HA2 0.464 4.425 3.960 0.003 0.000 0.177 498 G HA3 0.464 4.425 3.960 0.003 0.000 0.177 498 G C -0.302 174.625 174.900 0.044 0.000 1.236 498 G CA -0.644 44.485 45.100 0.048 0.000 0.888 498 G HN 0.464 nan 8.290 nan 0.000 0.644 499 M N 0.459 120.123 119.600 0.107 0.000 2.219 499 M HA 0.343 4.825 4.480 0.003 0.000 0.307 499 M C 1.532 177.907 176.300 0.124 0.000 1.116 499 M CA 1.091 56.488 55.300 0.162 0.000 1.181 499 M CB -0.028 32.737 32.600 0.275 0.000 1.410 499 M HN 1.415 nan 8.290 nan 0.000 0.454 500 G N 0.418 109.312 108.800 0.156 0.000 2.176 500 G HA2 -0.260 3.701 3.960 0.003 0.000 0.253 500 G HA3 -0.260 3.701 3.960 0.003 0.000 0.253 500 G C 0.577 175.578 174.900 0.168 0.000 0.979 500 G CA 0.884 46.074 45.100 0.150 0.000 0.641 500 G HN 0.903 nan 8.290 nan 0.000 0.530 501 T N -2.214 112.434 114.554 0.157 0.000 3.040 501 T HA 0.427 4.779 4.350 0.003 0.000 0.250 501 T C 0.863 175.719 174.700 0.260 0.000 1.058 501 T CA 0.747 62.983 62.100 0.227 0.000 0.988 501 T CB 0.406 69.366 68.868 0.154 0.000 0.993 501 T HN 0.380 nan 8.240 nan 0.000 0.519 502 Q N 2.158 122.030 119.800 0.121 0.000 2.352 502 Q HA 0.487 4.829 4.340 0.003 0.000 0.260 502 Q C -0.464 175.635 176.000 0.164 0.000 0.976 502 Q CA -0.265 55.501 55.803 -0.062 0.000 0.881 502 Q CB 0.476 29.047 28.738 -0.278 0.000 1.235 502 Q HN 0.703 nan 8.270 nan 0.000 0.419 503 W N 0.536 121.796 121.300 -0.066 0.000 3.213 503 W HA 0.468 5.130 4.660 0.003 0.000 0.318 503 W C -1.089 175.572 176.519 0.235 0.000 1.248 503 W CA -1.095 56.301 57.345 0.084 0.000 1.187 503 W CB 0.709 30.165 29.460 -0.006 0.000 1.403 503 W HN 0.592 nan 8.180 nan 0.000 0.556 504 R N 1.552 122.309 120.500 0.428 0.000 2.421 504 R HA 0.377 4.719 4.340 0.003 0.000 0.305 504 R C 1.144 177.536 176.300 0.152 0.000 1.039 504 R CA 1.825 58.090 56.100 0.275 0.000 1.003 504 R CB -0.169 30.248 30.300 0.194 0.000 0.959 504 R HN 1.163 nan 8.270 nan 0.000 0.427 505 G N 4.099 112.884 108.800 -0.025 0.000 2.175 505 G HA2 -0.295 3.667 3.960 0.003 0.000 0.244 505 G HA3 -0.295 3.667 3.960 0.003 0.000 0.244 505 G C 0.251 174.820 174.900 -0.552 0.000 0.982 505 G CA 0.229 45.252 45.100 -0.129 0.000 0.641 505 G HN 0.722 nan 8.290 nan 0.000 0.527 506 M N -0.711 118.221 119.600 -1.113 0.000 2.251 506 M HA 0.467 4.949 4.480 0.003 0.000 0.343 506 M C 1.527 177.494 176.300 -0.554 0.000 1.245 506 M CA 1.424 55.805 55.300 -1.531 0.000 1.061 506 M CB 0.841 32.439 32.600 -1.670 0.000 1.723 506 M HN 1.657 nan 8.290 nan 0.000 0.449 507 G N 2.593 111.200 108.800 -0.322 0.000 2.234 507 G HA2 -0.276 3.686 3.960 0.003 0.000 0.260 507 G HA3 -0.276 3.686 3.960 0.003 0.000 0.260 507 G C 0.557 175.421 174.900 -0.060 0.000 0.987 507 G CA 0.505 45.539 45.100 -0.110 0.000 0.625 507 G HN 0.757 nan 8.290 nan 0.000 0.532 508 L N 0.790 121.975 121.223 -0.064 0.000 2.079 508 L HA -0.080 4.261 4.340 0.003 0.000 0.210 508 L C 2.964 179.833 176.870 -0.002 0.000 1.081 508 L CA 2.068 56.904 54.840 -0.006 0.000 0.752 508 L CB -0.556 41.504 42.059 0.003 0.000 0.896 508 L HN 0.447 nan 8.230 nan 0.000 0.433 509 S N 0.073 115.771 115.700 -0.004 0.000 2.383 509 S HA -0.109 4.363 4.470 0.003 0.000 0.227 509 S C 1.933 176.479 174.600 -0.091 0.000 1.026 509 S CA 0.971 59.172 58.200 0.002 0.000 0.981 509 S CB -0.127 63.110 63.200 0.061 0.000 0.818 509 S HN 0.334 nan 8.310 nan 0.000 0.472 510 L N 1.086 122.146 121.223 -0.271 0.000 2.291 510 L HA 0.030 4.371 4.340 0.003 0.000 0.214 510 L C 2.369 179.078 176.870 -0.268 0.000 1.120 510 L CA 0.454 54.968 54.840 -0.542 0.000 0.799 510 L CB -0.400 40.822 42.059 -1.396 0.000 0.925 510 L HN 0.350 nan 8.230 nan 0.000 0.446 511 M N -0.382 119.209 119.600 -0.014 0.000 2.435 511 M HA -0.182 4.299 4.480 0.003 0.000 0.262 511 M C 2.022 178.371 176.300 0.081 0.000 1.065 511 M CA 1.502 56.900 55.300 0.163 0.000 1.076 511 M CB -0.983 31.689 32.600 0.121 0.000 1.403 511 M HN 0.190 nan 8.290 nan 0.000 0.454 512 R N -0.626 119.894 120.500 0.032 0.000 2.280 512 R HA 0.036 4.377 4.340 0.003 0.000 0.207 512 R C 0.010 176.339 176.300 0.047 0.000 1.043 512 R CA 0.227 56.357 56.100 0.050 0.000 1.006 512 R CB -0.023 30.314 30.300 0.063 0.000 0.885 512 R HN 0.094 nan 8.270 nan 0.000 0.467 513 L N 1.388 122.610 121.223 -0.003 0.000 2.265 513 L HA 0.069 4.411 4.340 0.003 0.000 0.288 513 L C 0.515 177.382 176.870 -0.006 0.000 1.058 513 L CA 0.257 55.061 54.840 -0.060 0.000 0.809 513 L CB 1.308 43.259 42.059 -0.179 0.000 1.179 513 L HN -0.015 nan 8.230 nan 0.000 0.429 514 D N 2.077 122.465 120.400 -0.021 0.000 2.123 514 D HA -0.201 4.441 4.640 0.003 0.000 0.196 514 D C 1.981 178.270 176.300 -0.019 0.000 0.992 514 D CA 1.293 55.287 54.000 -0.010 0.000 0.833 514 D CB 0.229 41.019 40.800 -0.017 0.000 0.954 514 D HN 0.464 nan 8.370 nan 0.000 0.455 515 R N -0.825 119.651 120.500 -0.039 0.000 2.092 515 R HA -0.099 4.243 4.340 0.003 0.000 0.231 515 R C 2.225 178.515 176.300 -0.017 0.000 1.119 515 R CA 0.756 56.836 56.100 -0.035 0.000 0.970 515 R CB -0.357 29.915 30.300 -0.046 0.000 0.864 515 R HN 0.129 nan 8.270 nan 0.000 0.440 516 F N 1.086 120.947 119.950 -0.149 0.000 2.113 516 F HA -0.128 4.401 4.527 0.003 0.000 0.297 516 F C 2.524 178.256 175.800 -0.113 0.000 1.103 516 F CA 1.552 59.460 58.000 -0.153 0.000 1.248 516 F CB -0.170 38.707 39.000 -0.206 0.000 0.999 516 F HN -0.106 nan 8.300 nan 0.000 0.475 517 R N 0.418 120.961 120.500 0.070 0.000 2.083 517 R HA -0.190 4.152 4.340 0.003 0.000 0.237 517 R C 1.815 178.057 176.300 -0.097 0.000 1.137 517 R CA 2.211 58.309 56.100 -0.004 0.000 0.951 517 R CB -0.683 29.639 30.300 0.035 0.000 0.851 517 R HN 0.255 nan 8.270 nan 0.000 0.434 518 D N -0.282 120.069 120.400 -0.082 0.000 2.144 518 D HA -0.133 4.509 4.640 0.003 0.000 0.199 518 D C 1.829 178.050 176.300 -0.132 0.000 0.984 518 D CA 1.328 55.277 54.000 -0.086 0.000 0.834 518 D CB -0.290 40.476 40.800 -0.057 0.000 0.955 518 D HN 0.186 nan 8.370 nan 0.000 0.465 519 S N -0.068 115.515 115.700 -0.196 0.000 2.356 519 S HA -0.105 4.367 4.470 0.003 0.000 0.223 519 S C 1.990 176.412 174.600 -0.296 0.000 1.032 519 S CA 0.540 58.589 58.200 -0.251 0.000 1.005 519 S CB -0.094 62.903 63.200 -0.338 0.000 0.867 519 S HN 0.062 nan 8.310 nan 0.000 0.449 520 I N 1.941 122.281 120.570 -0.383 0.000 2.226 520 I HA -0.141 4.031 4.170 0.003 0.000 0.245 520 I C 2.318 178.328 176.117 -0.178 0.000 1.100 520 I CA 1.217 62.328 61.300 -0.314 0.000 1.374 520 I CB -1.521 36.288 38.000 -0.319 0.000 1.057 520 I HN 0.368 nan 8.210 nan 0.000 0.413 521 L N -0.106 121.033 121.223 -0.140 0.000 2.083 521 L HA -0.207 4.135 4.340 0.003 0.000 0.209 521 L C 2.781 179.599 176.870 -0.088 0.000 1.083 521 L CA 1.214 55.998 54.840 -0.093 0.000 0.752 521 L CB -0.617 41.400 42.059 -0.069 0.000 0.899 521 L HN 0.196 nan 8.230 nan 0.000 0.433 522 R N -0.317 120.122 120.500 -0.100 0.000 2.075 522 R HA -0.121 4.221 4.340 0.003 0.000 0.232 522 R C 2.528 178.775 176.300 -0.088 0.000 1.126 522 R CA 1.583 57.632 56.100 -0.084 0.000 0.963 522 R CB -0.049 30.199 30.300 -0.086 0.000 0.858 522 R HN 0.219 nan 8.270 nan 0.000 0.435 523 S N 0.745 116.373 115.700 -0.120 0.000 2.382 523 S HA -0.129 4.343 4.470 0.003 0.000 0.228 523 S C 1.189 175.745 174.600 -0.073 0.000 1.027 523 S CA 1.351 59.486 58.200 -0.107 0.000 0.991 523 S CB -0.252 62.861 63.200 -0.144 0.000 0.823 523 S HN 0.350 nan 8.310 nan 0.000 0.469 524 D N 1.224 121.579 120.400 -0.076 0.000 2.123 524 D HA -0.096 4.545 4.640 0.003 0.000 0.196 524 D C 2.073 178.341 176.300 -0.053 0.000 0.992 524 D CA 0.922 54.887 54.000 -0.059 0.000 0.833 524 D CB -0.255 40.509 40.800 -0.060 0.000 0.954 524 D HN 0.245 nan 8.370 nan 0.000 0.455 525 E N 0.477 120.645 120.200 -0.054 0.000 2.110 525 E HA -0.109 4.243 4.350 0.003 0.000 0.193 525 E C 2.069 178.643 176.600 -0.044 0.000 0.988 525 E CA 0.834 57.205 56.400 -0.050 0.000 0.804 525 E CB -0.367 29.306 29.700 -0.044 0.000 0.745 525 E HN 0.241 nan 8.360 nan 0.000 0.458 526 A N 0.907 123.710 122.820 -0.029 0.000 1.940 526 A HA -0.153 4.168 4.320 0.003 0.000 0.219 526 A C 2.345 179.942 177.584 0.022 0.000 1.176 526 A CA 2.017 54.056 52.037 0.003 0.000 0.631 526 A CB -0.443 18.564 19.000 0.011 0.000 0.814 526 A HN 0.209 nan 8.150 nan 0.000 0.446 527 V N -2.845 117.068 119.914 -0.002 0.000 3.647 527 V HA 0.163 4.285 4.120 0.003 0.000 0.279 527 V C 1.818 177.886 176.094 -0.043 0.000 1.314 527 V CA 1.178 63.491 62.300 0.020 0.000 1.125 527 V CB -0.553 31.259 31.823 -0.018 0.000 0.907 527 V HN 0.502 nan 8.190 nan 0.000 0.434 528 K N 1.855 122.202 120.400 -0.088 0.000 2.074 528 K HA -0.112 4.210 4.320 0.003 0.000 0.209 528 K C -0.299 176.180 176.600 -0.203 0.000 1.048 528 K CA 2.282 58.501 56.287 -0.113 0.000 0.926 528 K CB -1.160 31.282 32.500 -0.098 0.000 0.713 528 K HN 0.479 nan 8.250 nan 0.000 0.444 529 P HA -0.108 nan 4.420 nan 0.000 0.225 529 P C 0.041 176.911 177.300 -0.717 0.000 1.148 529 P CA 1.026 63.778 63.100 -0.579 0.000 0.779 529 P CB 0.074 31.267 31.700 -0.845 0.000 0.780 530 F N -1.705 118.112 119.950 -0.220 0.000 2.639 530 F HA 0.441 4.970 4.527 0.003 0.000 0.300 530 F C 1.656 177.383 175.800 -0.122 0.000 1.109 530 F CA -0.007 57.842 58.000 -0.252 0.000 1.335 530 F CB -0.704 37.885 39.000 -0.684 0.000 1.014 530 F HN -0.071 nan 8.300 nan 0.000 0.537 531 G N 0.699 109.493 108.800 -0.008 0.000 2.160 531 G HA2 -0.271 3.691 3.960 0.003 0.000 0.251 531 G HA3 -0.271 3.691 3.960 0.003 0.000 0.251 531 G C -0.342 174.579 174.900 0.035 0.000 1.008 531 G CA -0.133 44.976 45.100 0.016 0.000 0.724 531 G HN 0.179 nan 8.290 nan 0.000 0.514 532 L N -0.476 120.763 121.223 0.027 0.000 2.333 532 L HA 0.826 5.168 4.340 0.003 0.000 0.269 532 L C 0.176 177.037 176.870 -0.014 0.000 1.010 532 L CA -1.096 53.761 54.840 0.028 0.000 0.818 532 L CB 2.050 44.152 42.059 0.073 0.000 1.306 532 L HN 0.138 nan 8.230 nan 0.000 0.430 533 K N 1.301 121.682 120.400 -0.033 0.000 2.668 533 K HA 0.314 4.636 4.320 0.003 0.000 0.246 533 K C 0.271 176.842 176.600 -0.048 0.000 0.976 533 K CA -0.320 55.941 56.287 -0.043 0.000 0.902 533 K CB 1.699 34.170 32.500 -0.048 0.000 1.172 533 K HN 0.362 nan 8.250 nan 0.000 0.452 534 V N 1.838 121.730 119.914 -0.037 0.000 2.282 534 V HA -0.323 3.799 4.120 0.003 0.000 0.249 534 V C 2.163 178.239 176.094 -0.031 0.000 1.057 534 V CA 2.596 64.879 62.300 -0.028 0.000 1.032 534 V CB -0.584 31.215 31.823 -0.041 0.000 0.645 534 V HN 0.908 nan 8.190 nan 0.000 0.447 535 S N -0.517 115.157 115.700 -0.043 0.000 2.400 535 S HA -0.327 4.145 4.470 0.003 0.000 0.232 535 S C 1.894 176.473 174.600 -0.036 0.000 1.025 535 S CA 1.725 59.904 58.200 -0.033 0.000 0.993 535 S CB -0.458 62.721 63.200 -0.036 0.000 0.808 535 S HN 0.521 nan 8.310 nan 0.000 0.478 536 Q N 1.177 120.946 119.800 -0.052 0.000 2.137 536 Q HA 0.271 4.612 4.340 0.003 0.000 0.198 536 Q C 2.049 177.986 176.000 -0.105 0.000 0.960 536 Q CA 1.133 56.894 55.803 -0.070 0.000 0.847 536 Q CB -0.628 28.066 28.738 -0.074 0.000 0.915 536 Q HN 0.661 nan 8.270 nan 0.000 0.448 537 L N -0.467 120.685 121.223 -0.119 0.000 2.083 537 L HA -0.150 4.192 4.340 0.003 0.000 0.209 537 L C 2.028 178.854 176.870 -0.073 0.000 1.083 537 L CA 0.834 55.565 54.840 -0.182 0.000 0.752 537 L CB -0.460 41.532 42.059 -0.111 0.000 0.899 537 L HN 0.237 nan 8.230 nan 0.000 0.433 538 L N -0.668 120.571 121.223 0.026 0.000 2.141 538 L HA -0.178 4.163 4.340 0.003 0.000 0.209 538 L C 2.320 179.182 176.870 -0.014 0.000 1.094 538 L CA 0.981 55.852 54.840 0.052 0.000 0.763 538 L CB -0.356 41.716 42.059 0.022 0.000 0.908 538 L HN 0.301 nan 8.230 nan 0.000 0.437 539 L N -0.748 120.453 121.223 -0.037 0.000 2.418 539 L HA 0.009 4.351 4.340 0.003 0.000 0.218 539 L C 1.507 178.342 176.870 -0.059 0.000 1.125 539 L CA -0.173 54.645 54.840 -0.038 0.000 0.835 539 L CB -0.005 42.035 42.059 -0.033 0.000 0.953 539 L HN 0.123 nan 8.230 nan 0.000 0.454 540 S N -0.125 115.511 115.700 -0.107 0.000 2.563 540 S HA -0.058 4.414 4.470 0.003 0.000 0.294 540 S C 1.347 175.888 174.600 -0.097 0.000 1.279 540 S CA 0.249 58.369 58.200 -0.134 0.000 1.069 540 S CB 0.563 63.618 63.200 -0.241 0.000 0.828 540 S HN 0.423 nan 8.310 nan 0.000 0.497 541 T N 0.964 115.478 114.554 -0.066 0.000 3.086 541 T HA 0.175 4.527 4.350 0.003 0.000 0.250 541 T C 0.167 174.844 174.700 -0.037 0.000 1.074 541 T CA -0.390 61.690 62.100 -0.033 0.000 0.988 541 T CB -0.067 68.792 68.868 -0.015 0.000 0.988 541 T HN 0.548 nan 8.240 nan 0.000 0.530 542 D N 2.043 122.399 120.400 -0.072 0.000 2.317 542 D HA 0.131 4.773 4.640 0.003 0.000 0.252 542 D C 1.033 177.292 176.300 -0.068 0.000 1.174 542 D CA -0.139 53.823 54.000 -0.064 0.000 0.866 542 D CB 1.607 42.363 40.800 -0.074 0.000 1.127 542 D HN 0.199 nan 8.370 nan 0.000 0.467 543 E N 1.940 122.129 120.200 -0.018 0.000 2.265 543 E HA -0.159 4.193 4.350 0.003 0.000 0.196 543 E C 1.433 178.041 176.600 0.013 0.000 0.996 543 E CA 1.183 57.593 56.400 0.016 0.000 0.832 543 E CB 0.076 29.798 29.700 0.036 0.000 0.756 543 E HN 0.363 nan 8.360 nan 0.000 0.491 544 S N -2.113 113.580 115.700 -0.012 0.000 2.575 544 S HA 0.027 4.499 4.470 0.003 0.000 0.215 544 S C 1.719 176.304 174.600 -0.026 0.000 0.966 544 S CA 0.467 58.668 58.200 0.001 0.000 0.911 544 S CB -0.167 63.035 63.200 0.004 0.000 0.780 544 S HN 0.147 nan 8.310 nan 0.000 0.514 545 T N 2.286 116.758 114.554 -0.135 0.000 2.653 545 T HA -0.089 4.262 4.350 0.003 0.000 0.268 545 T C 0.629 175.235 174.700 -0.156 0.000 1.035 545 T CA 1.677 63.632 62.100 -0.242 0.000 1.154 545 T CB -0.552 67.953 68.868 -0.604 0.000 0.862 545 T HN 0.558 nan 8.240 nan 0.000 0.441 546 F N 1.202 121.213 119.950 0.102 0.000 2.731 546 F HA 0.214 4.743 4.527 0.003 0.000 0.304 546 F C 1.595 177.436 175.800 0.068 0.000 1.133 546 F CA -0.700 57.357 58.000 0.094 0.000 1.380 546 F CB -0.358 38.686 39.000 0.074 0.000 1.079 546 F HN 0.074 nan 8.300 nan 0.000 0.550 547 D N -0.613 119.881 120.400 0.157 0.000 2.323 547 D HA -0.088 4.554 4.640 0.003 0.000 0.209 547 D C 0.644 176.958 176.300 0.023 0.000 0.973 547 D CA 0.647 54.702 54.000 0.091 0.000 0.874 547 D CB -0.042 40.791 40.800 0.056 0.000 0.930 547 D HN 0.175 nan 8.370 nan 0.000 0.521 548 D N 1.052 121.444 120.400 -0.013 0.000 2.325 548 D HA 0.007 4.648 4.640 0.003 0.000 0.251 548 D C 1.892 178.089 176.300 -0.171 0.000 1.196 548 D CA -0.331 53.569 54.000 -0.168 0.000 0.866 548 D CB 1.042 41.581 40.800 -0.435 0.000 1.101 548 D HN 0.109 nan 8.370 nan 0.000 0.476 549 I N 1.793 122.210 120.570 -0.256 0.000 2.335 549 I HA -0.234 3.938 4.170 0.003 0.000 0.251 549 I C 1.511 177.261 176.117 -0.611 0.000 1.129 549 I CA 0.704 61.703 61.300 -0.501 0.000 1.402 549 I CB -0.177 37.447 38.000 -0.627 0.000 1.069 549 I HN 0.150 nan 8.210 nan 0.000 0.424 550 V N 1.674 121.356 119.914 -0.386 0.000 2.358 550 V HA -0.265 3.857 4.120 0.003 0.000 0.246 550 V C 2.510 178.642 176.094 0.064 0.000 1.047 550 V CA 2.387 64.557 62.300 -0.217 0.000 1.035 550 V CB -1.337 30.345 31.823 -0.234 0.000 0.658 550 V HN 0.548 nan 8.190 nan 0.000 0.452 551 H N 0.537 119.616 119.070 0.015 0.000 2.321 551 H HA -0.150 4.408 4.556 0.003 0.000 0.300 551 H C 2.572 178.064 175.328 0.273 0.000 1.087 551 H CA 1.564 57.702 56.048 0.150 0.000 1.319 551 H CB -0.019 29.819 29.762 0.126 0.000 1.379 551 H HN 0.588 nan 8.280 nan 0.000 0.501 552 S N 0.644 116.561 115.700 0.360 0.000 2.387 552 S HA -0.135 4.337 4.470 0.003 0.000 0.226 552 S C 1.929 176.682 174.600 0.256 0.000 1.026 552 S CA 0.703 59.053 58.200 0.249 0.000 0.972 552 S CB -0.420 62.906 63.200 0.211 0.000 0.814 552 S HN 0.165 nan 8.310 nan 0.000 0.477 553 F N 2.126 122.101 119.950 0.041 0.000 2.075 553 F HA 0.059 4.588 4.527 0.003 0.000 0.297 553 F C 2.723 178.519 175.800 -0.006 0.000 1.113 553 F CA -0.097 57.895 58.000 -0.013 0.000 1.218 553 F CB -1.325 37.647 39.000 -0.048 0.000 0.984 553 F HN 0.088 nan 8.300 nan 0.000 0.472 554 V N -0.816 119.249 119.914 0.251 0.000 2.343 554 V HA -0.260 3.861 4.120 0.003 0.000 0.247 554 V C 2.393 178.532 176.094 0.074 0.000 1.051 554 V CA 2.019 64.407 62.300 0.146 0.000 1.036 554 V CB -0.945 30.977 31.823 0.166 0.000 0.654 554 V HN 0.265 nan 8.190 nan 0.000 0.451 555 S N 0.011 115.763 115.700 0.085 0.000 2.383 555 S HA -0.143 4.328 4.470 0.003 0.000 0.227 555 S C 1.855 176.404 174.600 -0.085 0.000 1.026 555 S CA 1.676 59.874 58.200 -0.004 0.000 0.981 555 S CB -0.351 62.851 63.200 0.004 0.000 0.818 555 S HN 0.491 nan 8.310 nan 0.000 0.472 556 L N 1.891 123.070 121.223 -0.074 0.000 1.994 556 L HA -0.089 4.253 4.340 0.003 0.000 0.208 556 L C 2.201 179.042 176.870 -0.049 0.000 1.071 556 L CA 2.020 56.820 54.840 -0.068 0.000 0.745 556 L CB -1.494 40.552 42.059 -0.023 0.000 0.892 556 L HN 0.163 nan 8.230 nan 0.000 0.431 557 T N 0.290 114.821 114.554 -0.038 0.000 2.684 557 T HA -0.186 4.166 4.350 0.003 0.000 0.267 557 T C 1.935 176.570 174.700 -0.107 0.000 1.036 557 T CA 1.561 63.624 62.100 -0.062 0.000 1.148 557 T CB -0.696 68.142 68.868 -0.049 0.000 0.863 557 T HN 0.570 nan 8.240 nan 0.000 0.436 558 A N 1.034 123.789 122.820 -0.107 0.000 1.908 558 A HA -0.045 4.277 4.320 0.003 0.000 0.218 558 A C 2.312 179.777 177.584 -0.199 0.000 1.181 558 A CA 1.314 53.250 52.037 -0.168 0.000 0.627 558 A CB -0.793 18.123 19.000 -0.140 0.000 0.818 558 A HN 0.531 nan 8.150 nan 0.000 0.445 559 I N -0.718 119.785 120.570 -0.112 0.000 2.252 559 I HA -0.291 3.880 4.170 0.003 0.000 0.245 559 I C 2.783 178.913 176.117 0.021 0.000 1.102 559 I CA 1.410 62.705 61.300 -0.010 0.000 1.385 559 I CB -0.391 37.648 38.000 0.065 0.000 1.064 559 I HN 0.459 nan 8.210 nan 0.000 0.414 560 Q N 0.480 120.267 119.800 -0.021 0.000 2.124 560 Q HA -0.171 4.171 4.340 0.003 0.000 0.202 560 Q C 2.350 178.326 176.000 -0.039 0.000 0.977 560 Q CA 1.417 57.217 55.803 -0.006 0.000 0.850 560 Q CB -0.036 28.696 28.738 -0.011 0.000 0.901 560 Q HN 0.536 nan 8.270 nan 0.000 0.429 561 I N 0.289 120.767 120.570 -0.154 0.000 2.226 561 I HA -0.211 3.960 4.170 0.003 0.000 0.245 561 I C 2.325 178.327 176.117 -0.192 0.000 1.100 561 I CA 1.192 62.313 61.300 -0.298 0.000 1.374 561 I CB -0.566 37.084 38.000 -0.583 0.000 1.057 561 I HN 0.289 nan 8.210 nan 0.000 0.413 562 G N 0.836 109.480 108.800 -0.260 0.000 2.422 562 G HA2 -0.195 3.767 3.960 0.003 0.000 0.218 562 G HA3 -0.195 3.767 3.960 0.003 0.000 0.218 562 G C 1.705 176.636 174.900 0.053 0.000 1.146 562 G CA 0.512 45.406 45.100 -0.345 0.000 0.769 562 G HN 0.270 nan 8.290 nan 0.000 0.547 563 L N -0.106 121.208 121.223 0.153 0.000 2.093 563 L HA 0.067 4.409 4.340 0.003 0.000 0.208 563 L C 2.803 179.719 176.870 0.076 0.000 1.085 563 L CA 0.488 55.407 54.840 0.131 0.000 0.755 563 L CB -0.280 41.847 42.059 0.113 0.000 0.904 563 L HN 0.181 nan 8.230 nan 0.000 0.435 564 I N -0.144 120.467 120.570 0.069 0.000 2.286 564 I HA -0.290 3.882 4.170 0.003 0.000 0.248 564 I C 2.028 178.237 176.117 0.152 0.000 1.115 564 I CA 1.123 62.491 61.300 0.113 0.000 1.392 564 I CB -0.322 37.825 38.000 0.245 0.000 1.065 564 I HN 0.257 nan 8.210 nan 0.000 0.418 565 D N 0.753 121.240 120.400 0.145 0.000 2.117 565 D HA -0.127 4.515 4.640 0.003 0.000 0.197 565 D C 2.357 178.703 176.300 0.076 0.000 0.987 565 D CA 1.202 55.268 54.000 0.110 0.000 0.829 565 D CB -0.242 40.590 40.800 0.055 0.000 0.961 565 D HN 0.287 nan 8.370 nan 0.000 0.460 566 L N 0.166 121.434 121.223 0.073 0.000 2.046 566 L HA -0.138 4.204 4.340 0.003 0.000 0.208 566 L C 2.530 179.480 176.870 0.133 0.000 1.077 566 L CA 0.718 55.603 54.840 0.074 0.000 0.747 566 L CB -0.415 41.648 42.059 0.007 0.000 0.896 566 L HN 0.051 nan 8.230 nan 0.000 0.432 567 L N -1.011 120.298 121.223 0.144 0.000 2.093 567 L HA -0.160 4.182 4.340 0.003 0.000 0.208 567 L C 2.684 179.631 176.870 0.129 0.000 1.085 567 L CA 0.984 55.902 54.840 0.131 0.000 0.755 567 L CB -0.471 41.622 42.059 0.058 0.000 0.904 567 L HN 0.172 nan 8.230 nan 0.000 0.435 568 S N -0.353 115.419 115.700 0.119 0.000 2.383 568 S HA -0.188 4.283 4.470 0.003 0.000 0.227 568 S C 2.122 176.756 174.600 0.057 0.000 1.026 568 S CA 1.342 59.594 58.200 0.087 0.000 0.981 568 S CB -0.521 62.718 63.200 0.064 0.000 0.818 568 S HN 0.711 nan 8.310 nan 0.000 0.472 569 C N 1.040 120.372 119.300 0.053 0.000 2.437 569 C HA 0.182 4.644 4.460 0.003 0.000 0.283 569 C C 1.958 176.970 174.990 0.037 0.000 1.424 569 C CA 0.126 59.165 59.018 0.034 0.000 1.782 569 C CB -1.460 26.292 27.740 0.020 0.000 1.833 569 C HN 0.468 nan 8.230 nan 0.000 0.532 570 M N 0.674 120.305 119.600 0.052 0.000 2.431 570 M HA 0.246 4.728 4.480 0.003 0.000 0.237 570 M C 1.663 177.990 176.300 0.044 0.000 1.130 570 M CA 0.881 56.210 55.300 0.048 0.000 1.002 570 M CB 0.125 32.758 32.600 0.054 0.000 1.524 570 M HN 0.633 nan 8.290 nan 0.000 0.482 571 G N 1.442 110.267 108.800 0.042 0.000 2.159 571 G HA2 -0.236 3.725 3.960 0.003 0.000 0.256 571 G HA3 -0.236 3.725 3.960 0.003 0.000 0.256 571 G C -0.005 174.915 174.900 0.034 0.000 0.977 571 G CA -0.318 44.800 45.100 0.029 0.000 0.652 571 G HN 0.408 nan 8.290 nan 0.000 0.531 572 L N 0.179 121.443 121.223 0.068 0.000 2.410 572 L HA 0.557 4.898 4.340 0.003 0.000 0.273 572 L C 0.941 177.848 176.870 0.062 0.000 1.152 572 L CA -0.139 54.756 54.840 0.092 0.000 0.855 572 L CB 0.768 42.937 42.059 0.182 0.000 1.129 572 L HN 0.147 nan 8.230 nan 0.000 0.463 573 R N 4.155 124.632 120.500 -0.039 0.000 2.476 573 R HA 0.414 4.756 4.340 0.003 0.000 0.305 573 R C -2.433 173.668 176.300 -0.331 0.000 0.965 573 R CA -1.544 54.459 56.100 -0.162 0.000 0.867 573 R CB 1.701 31.921 30.300 -0.133 0.000 1.176 573 R HN 0.357 nan 8.270 nan 0.000 0.447 574 P HA 0.088 nan 4.420 nan 0.000 0.274 574 P C -0.619 176.333 177.300 -0.579 0.000 1.231 574 P CA -0.197 62.394 63.100 -0.849 0.000 0.790 574 P CB 1.081 31.878 31.700 -1.504 0.000 0.951 575 D N -0.107 119.947 120.400 -0.576 0.000 2.327 575 D HA 0.144 4.786 4.640 0.003 0.000 0.205 575 D C 0.982 176.746 176.300 -0.895 0.000 0.989 575 D CA 0.815 54.498 54.000 -0.529 0.000 0.873 575 D CB 0.506 41.113 40.800 -0.322 0.000 0.955 575 D HN 0.560 nan 8.370 nan 0.000 0.515 576 G N 0.236 108.157 108.800 -1.464 0.000 2.696 576 G HA2 0.634 4.595 3.960 0.003 0.000 0.295 576 G HA3 0.634 4.595 3.960 0.003 0.000 0.295 576 G C -1.346 172.894 174.900 -1.100 0.000 1.398 576 G CA -0.528 43.261 45.100 -2.185 0.000 0.920 576 G HN -0.012 nan 8.290 nan 0.000 0.492 577 I N 0.833 121.078 120.570 -0.540 0.000 2.548 577 I HA 0.417 4.589 4.170 0.003 0.000 0.287 577 I C -0.829 175.408 176.117 0.200 0.000 1.103 577 I CA -1.008 60.226 61.300 -0.110 0.000 1.049 577 I CB 2.451 40.275 38.000 -0.294 0.000 1.232 577 I HN 0.208 nan 8.210 nan 0.000 0.429 578 V N 4.092 124.197 119.914 0.318 0.000 2.588 578 V HA 0.828 4.950 4.120 0.003 0.000 0.304 578 V C 0.257 176.579 176.094 0.380 0.000 1.042 578 V CA -0.495 62.036 62.300 0.384 0.000 0.877 578 V CB 1.771 33.808 31.823 0.355 0.000 0.996 578 V HN 0.879 nan 8.190 nan 0.000 0.425 579 G N 1.133 110.180 108.800 0.412 0.000 2.498 579 G HA2 0.580 4.542 3.960 0.003 0.000 0.312 579 G HA3 0.580 4.542 3.960 0.003 0.000 0.312 579 G C -1.478 173.665 174.900 0.404 0.000 1.230 579 G CA -0.429 44.885 45.100 0.357 0.000 0.968 579 G HN 0.715 nan 8.290 nan 0.000 0.481 580 H N 1.084 120.251 119.070 0.161 0.000 2.638 580 H HA 0.496 5.054 4.556 0.003 0.000 0.317 580 H C 0.757 176.086 175.328 0.002 0.000 1.006 580 H CA 0.577 56.632 56.048 0.011 0.000 1.222 580 H CB 1.421 31.000 29.762 -0.305 0.000 1.419 580 H HN 0.850 nan 8.280 nan 0.000 0.489 581 S N 3.181 118.843 115.700 -0.062 0.000 4.059 581 S HA -0.353 4.119 4.470 0.003 0.000 0.624 581 S C 1.568 176.211 174.600 0.072 0.000 2.019 581 S CA 1.588 59.811 58.200 0.039 0.000 4.197 581 S CB -1.201 62.114 63.200 0.190 0.000 0.215 581 S HN 0.643 nan 8.310 nan 0.000 0.609 582 L N 3.062 124.272 121.223 -0.022 0.000 2.349 582 L HA 0.208 4.550 4.340 0.003 0.000 0.220 582 L C 2.326 179.168 176.870 -0.046 0.000 1.130 582 L CA 2.773 57.515 54.840 -0.164 0.000 0.791 582 L CB -1.235 40.549 42.059 -0.459 0.000 0.918 582 L HN 0.737 nan 8.230 nan 0.000 0.444 583 G N -1.044 107.777 108.800 0.035 0.000 2.479 583 G HA2 -0.244 3.718 3.960 0.003 0.000 0.220 583 G HA3 -0.244 3.718 3.960 0.003 0.000 0.220 583 G C 1.425 176.378 174.900 0.089 0.000 1.115 583 G CA 0.676 45.816 45.100 0.068 0.000 0.757 583 G HN 0.568 nan 8.290 nan 0.000 0.560 584 E N -0.190 120.100 120.200 0.150 0.000 2.268 584 E HA -0.053 4.299 4.350 0.003 0.000 0.195 584 E C 2.581 179.300 176.600 0.198 0.000 0.995 584 E CA 0.367 56.928 56.400 0.268 0.000 0.836 584 E CB 0.054 30.026 29.700 0.453 0.000 0.763 584 E HN 0.380 nan 8.360 nan 0.000 0.491 585 V N 1.122 121.103 119.914 0.112 0.000 2.307 585 V HA -0.237 3.884 4.120 0.003 0.000 0.245 585 V C 2.337 178.442 176.094 0.018 0.000 1.045 585 V CA 1.868 64.217 62.300 0.081 0.000 1.024 585 V CB -0.589 31.252 31.823 0.030 0.000 0.651 585 V HN 0.287 nan 8.190 nan 0.000 0.449 586 A N -1.278 121.537 122.820 -0.008 0.000 1.969 586 A HA -0.233 4.088 4.320 0.003 0.000 0.218 586 A C 2.330 179.877 177.584 -0.062 0.000 1.169 586 A CA 1.926 53.961 52.037 -0.003 0.000 0.635 586 A CB -1.051 17.948 19.000 -0.002 0.000 0.810 586 A HN 0.586 nan 8.150 nan 0.000 0.445 587 C N -1.026 118.146 119.300 -0.214 0.000 2.413 587 C HA -0.043 4.419 4.460 0.003 0.000 0.276 587 C C 2.997 177.458 174.990 -0.883 0.000 1.248 587 C CA 0.799 59.459 59.018 -0.598 0.000 1.742 587 C CB -1.538 25.671 27.740 -0.886 0.000 2.017 587 C HN 0.705 nan 8.230 nan 0.000 0.481 588 G N -1.437 106.947 108.800 -0.693 0.000 2.418 588 G HA2 -0.292 3.670 3.960 0.003 0.000 0.217 588 G HA3 -0.292 3.670 3.960 0.003 0.000 0.217 588 G C 1.407 176.218 174.900 -0.148 0.000 1.158 588 G CA 1.080 45.950 45.100 -0.384 0.000 0.771 588 G HN 0.594 nan 8.290 nan 0.000 0.545 589 Y N 2.010 122.210 120.300 -0.167 0.000 2.181 589 Y HA 0.014 4.566 4.550 0.003 0.000 0.288 589 Y C 2.872 178.707 175.900 -0.108 0.000 1.146 589 Y CA 1.443 59.484 58.100 -0.098 0.000 1.164 589 Y CB -0.352 38.067 38.460 -0.068 0.000 0.982 589 Y HN 0.241 nan 8.280 nan 0.000 0.515 590 A N -0.461 122.283 122.820 -0.128 0.000 1.930 590 A HA -0.169 4.153 4.320 0.003 0.000 0.217 590 A C 1.917 179.347 177.584 -0.256 0.000 1.175 590 A CA 1.858 53.800 52.037 -0.159 0.000 0.627 590 A CB -0.895 18.116 19.000 0.017 0.000 0.815 590 A HN 0.558 nan 8.150 nan 0.000 0.443 591 D N -1.869 118.348 120.400 -0.304 0.000 2.144 591 D HA 0.131 4.773 4.640 0.003 0.000 0.200 591 D C 1.411 177.609 176.300 -0.170 0.000 0.978 591 D CA 2.168 56.031 54.000 -0.228 0.000 0.833 591 D CB -0.039 40.676 40.800 -0.141 0.000 0.961 591 D HN 0.566 nan 8.370 nan 0.000 0.470 592 G N -1.804 106.886 108.800 -0.183 0.000 2.227 592 G HA2 -0.244 3.718 3.960 0.003 0.000 0.168 592 G HA3 -0.244 3.718 3.960 0.003 0.000 0.168 592 G C 1.297 176.148 174.900 -0.082 0.000 1.006 592 G CA 0.272 45.277 45.100 -0.159 0.000 0.684 592 G HN 0.395 nan 8.290 nan 0.000 0.489 593 C N 0.325 119.608 119.300 -0.027 0.000 2.594 593 C HA 0.738 5.200 4.460 0.003 0.000 0.265 593 C C 0.985 176.003 174.990 0.045 0.000 1.351 593 C CA -0.511 58.522 59.018 0.026 0.000 1.744 593 C CB -1.073 26.714 27.740 0.078 0.000 1.890 593 C HN 0.353 nan 8.230 nan 0.000 0.551 594 L N 1.886 123.141 121.223 0.053 0.000 2.386 594 L HA 0.450 4.792 4.340 0.003 0.000 0.271 594 L C 0.414 177.372 176.870 0.146 0.000 0.993 594 L CA 0.011 54.913 54.840 0.104 0.000 0.819 594 L CB 2.162 44.302 42.059 0.136 0.000 1.294 594 L HN 0.262 nan 8.230 nan 0.000 0.414 595 S N 0.925 116.708 115.700 0.138 0.000 2.634 595 S HA 0.102 4.573 4.470 0.003 0.000 0.261 595 S C 0.733 175.477 174.600 0.240 0.000 1.271 595 S CA -0.276 58.029 58.200 0.174 0.000 0.985 595 S CB 1.369 64.631 63.200 0.103 0.000 0.968 595 S HN 0.775 nan 8.310 nan 0.000 0.568 596 Q N 0.647 120.587 119.800 0.234 0.000 2.061 596 Q HA -0.201 4.141 4.340 0.003 0.000 0.204 596 Q C 1.804 177.795 176.000 -0.015 0.000 0.984 596 Q CA 1.950 57.751 55.803 -0.003 0.000 0.846 596 Q CB -0.284 28.418 28.738 -0.060 0.000 0.902 596 Q HN 0.849 nan 8.270 nan 0.000 0.421 597 E N 0.661 120.880 120.200 0.032 0.000 2.110 597 E HA -0.220 4.132 4.350 0.003 0.000 0.193 597 E C 1.692 178.336 176.600 0.072 0.000 0.988 597 E CA 1.412 57.836 56.400 0.040 0.000 0.804 597 E CB -0.349 29.380 29.700 0.048 0.000 0.745 597 E HN 0.582 nan 8.360 nan 0.000 0.458 598 E N 1.057 121.310 120.200 0.088 0.000 2.072 598 E HA -0.068 4.284 4.350 0.003 0.000 0.191 598 E C 2.098 178.762 176.600 0.106 0.000 0.985 598 E CA 1.153 57.618 56.400 0.109 0.000 0.801 598 E CB -0.119 29.645 29.700 0.106 0.000 0.750 598 E HN 0.339 nan 8.360 nan 0.000 0.452 599 A N 0.640 123.509 122.820 0.080 0.000 1.898 599 A HA -0.130 4.192 4.320 0.003 0.000 0.216 599 A C 2.451 180.055 177.584 0.033 0.000 1.181 599 A CA 1.067 53.138 52.037 0.056 0.000 0.620 599 A CB -0.582 18.429 19.000 0.019 0.000 0.819 599 A HN 0.123 nan 8.150 nan 0.000 0.442 600 V N 0.142 120.060 119.914 0.008 0.000 2.358 600 V HA -0.227 3.895 4.120 0.003 0.000 0.246 600 V C 2.525 178.663 176.094 0.074 0.000 1.047 600 V CA 1.846 64.153 62.300 0.013 0.000 1.035 600 V CB -0.668 31.142 31.823 -0.023 0.000 0.658 600 V HN 0.557 nan 8.190 nan 0.000 0.452 601 L N -0.158 121.132 121.223 0.112 0.000 2.141 601 L HA -0.090 4.252 4.340 0.003 0.000 0.209 601 L C 2.677 179.706 176.870 0.264 0.000 1.094 601 L CA 1.263 56.215 54.840 0.187 0.000 0.763 601 L CB -0.713 41.507 42.059 0.269 0.000 0.908 601 L HN 0.365 nan 8.230 nan 0.000 0.437 602 A N 0.155 123.097 122.820 0.203 0.000 1.898 602 A HA -0.128 4.193 4.320 0.003 0.000 0.216 602 A C 2.526 180.188 177.584 0.131 0.000 1.181 602 A CA 1.611 53.761 52.037 0.189 0.000 0.620 602 A CB -0.550 18.532 19.000 0.137 0.000 0.819 602 A HN 0.380 nan 8.150 nan 0.000 0.442 603 A N -1.518 121.352 122.820 0.083 0.000 1.930 603 A HA -0.057 4.265 4.320 0.003 0.000 0.217 603 A C 2.118 179.767 177.584 0.108 0.000 1.175 603 A CA 1.578 53.644 52.037 0.047 0.000 0.627 603 A CB -0.782 18.239 19.000 0.036 0.000 0.815 603 A HN 0.719 nan 8.150 nan 0.000 0.443 604 Y N -1.008 119.256 120.300 -0.061 0.000 2.114 604 Y HA -0.257 4.295 4.550 0.003 0.000 0.284 604 Y C 2.104 177.814 175.900 -0.317 0.000 1.143 604 Y CA 1.927 59.872 58.100 -0.259 0.000 1.135 604 Y CB -0.577 37.556 38.460 -0.545 0.000 0.980 604 Y HN 0.436 nan 8.280 nan 0.000 0.499 605 W N 0.627 121.844 121.300 -0.137 0.000 2.402 605 W HA -0.102 4.560 4.660 0.003 0.000 0.286 605 W C 2.783 179.211 176.519 -0.152 0.000 1.221 605 W CA 1.389 58.612 57.345 -0.203 0.000 1.257 605 W CB -0.270 29.168 29.460 -0.038 0.000 1.120 605 W HN -0.037 nan 8.180 nan 0.000 0.551 606 R N 0.551 121.130 120.500 0.132 0.000 2.081 606 R HA -0.110 4.232 4.340 0.003 0.000 0.235 606 R C 2.277 178.691 176.300 0.190 0.000 1.131 606 R CA 1.902 58.082 56.100 0.133 0.000 0.960 606 R CB -0.851 29.476 30.300 0.045 0.000 0.856 606 R HN 0.236 nan 8.270 nan 0.000 0.436 607 G N -0.117 108.783 108.800 0.167 0.000 2.395 607 G HA2 -0.272 3.690 3.960 0.003 0.000 0.214 607 G HA3 -0.272 3.690 3.960 0.003 0.000 0.214 607 G C 1.313 176.072 174.900 -0.235 0.000 1.177 607 G CA 0.462 45.525 45.100 -0.062 0.000 0.794 607 G HN 0.331 nan 8.290 nan 0.000 0.532 608 Q N 0.008 119.538 119.800 -0.449 0.000 2.124 608 Q HA -0.081 4.261 4.340 0.003 0.000 0.202 608 Q C 2.404 178.317 176.000 -0.145 0.000 0.977 608 Q CA 1.693 57.225 55.803 -0.452 0.000 0.850 608 Q CB -0.859 27.310 28.738 -0.948 0.000 0.901 608 Q HN 0.405 nan 8.270 nan 0.000 0.429 609 C N -0.554 118.742 119.300 -0.008 0.000 2.457 609 C HA 0.013 4.475 4.460 0.003 0.000 0.278 609 C C 2.477 177.448 174.990 -0.031 0.000 1.309 609 C CA 0.279 59.321 59.018 0.039 0.000 1.735 609 C CB -0.984 26.809 27.740 0.090 0.000 1.992 609 C HN 0.571 nan 8.230 nan 0.000 0.493 610 I N 0.924 121.484 120.570 -0.017 0.000 2.099 610 I HA -0.270 3.902 4.170 0.003 0.000 0.239 610 I C 2.565 178.619 176.117 -0.104 0.000 1.066 610 I CA 1.704 62.996 61.300 -0.014 0.000 1.324 610 I CB -0.462 37.588 38.000 0.082 0.000 1.037 610 I HN 0.347 nan 8.210 nan 0.000 0.401 611 K N 0.542 120.859 120.400 -0.138 0.000 2.044 611 K HA -0.262 4.060 4.320 0.003 0.000 0.210 611 K C 1.980 178.364 176.600 -0.360 0.000 1.049 611 K CA 1.887 58.058 56.287 -0.194 0.000 0.927 611 K CB -0.283 32.112 32.500 -0.176 0.000 0.713 611 K HN 0.353 nan 8.250 nan 0.000 0.443 612 E N -0.060 119.961 120.200 -0.299 0.000 2.267 612 E HA -0.193 4.159 4.350 0.003 0.000 0.197 612 E C 1.721 177.952 176.600 -0.616 0.000 0.998 612 E CA 0.950 57.126 56.400 -0.373 0.000 0.830 612 E CB -0.033 29.602 29.700 -0.108 0.000 0.751 612 E HN 0.370 nan 8.360 nan 0.000 0.491 613 A N 0.407 122.965 122.820 -0.437 0.000 2.123 613 A HA -0.066 4.256 4.320 0.003 0.000 0.214 613 A C -0.023 177.429 177.584 -0.220 0.000 1.152 613 A CA 0.118 51.995 52.037 -0.267 0.000 0.728 613 A CB -0.239 18.679 19.000 -0.137 0.000 0.814 613 A HN 0.375 nan 8.150 nan 0.000 0.464 614 H N -0.603 118.441 119.070 -0.044 0.000 2.496 614 H HA -0.144 4.414 4.556 0.003 0.000 0.323 614 H C -0.284 175.000 175.328 -0.073 0.000 1.054 614 H CA 0.664 56.680 56.048 -0.053 0.000 1.095 614 H CB -2.175 27.561 29.762 -0.044 0.000 1.595 614 H HN 0.439 nan 8.280 nan 0.000 0.388 615 L N 1.426 122.627 121.223 -0.038 0.000 2.473 615 L HA 0.155 4.497 4.340 0.003 0.000 0.268 615 L C -1.011 175.808 176.870 -0.085 0.000 1.215 615 L CA -1.597 53.183 54.840 -0.100 0.000 0.823 615 L CB -0.041 41.943 42.059 -0.126 0.000 1.099 615 L HN 0.088 nan 8.230 nan 0.000 0.483 616 P HA 0.132 nan 4.420 nan 0.000 0.269 616 P C -2.456 174.815 177.300 -0.049 0.000 1.215 616 P CA -0.949 62.093 63.100 -0.098 0.000 0.780 616 P CB -0.314 31.294 31.700 -0.153 0.000 0.898 617 P HA 0.183 nan 4.420 nan 0.000 0.264 617 P C 0.160 177.455 177.300 -0.008 0.000 1.193 617 P CA 0.602 63.678 63.100 -0.039 0.000 0.763 617 P CB 0.320 31.980 31.700 -0.065 0.000 0.810 618 G N 1.186 109.968 108.800 -0.030 0.000 2.685 618 G HA2 0.789 4.751 3.960 0.003 0.000 0.298 618 G HA3 0.789 4.751 3.960 0.003 0.000 0.298 618 G C -1.652 173.150 174.900 -0.164 0.000 1.277 618 G CA -0.630 44.450 45.100 -0.032 0.000 0.986 618 G HN 0.626 nan 8.290 nan 0.000 0.487 619 A N -0.451 122.262 122.820 -0.178 0.000 2.594 619 A HA 0.878 5.200 4.320 0.003 0.000 0.291 619 A C -0.900 176.642 177.584 -0.070 0.000 1.105 619 A CA -0.634 51.320 52.037 -0.137 0.000 0.694 619 A CB 1.592 20.467 19.000 -0.208 0.000 1.291 619 A HN 0.678 nan 8.150 nan 0.000 0.410 620 M N -0.054 119.552 119.600 0.009 0.000 2.550 620 M HA 0.707 5.189 4.480 0.003 0.000 0.292 620 M C -0.680 175.670 176.300 0.082 0.000 1.221 620 M CA -0.461 54.868 55.300 0.048 0.000 0.873 620 M CB 2.651 35.302 32.600 0.085 0.000 1.727 620 M HN 1.258 nan 8.290 nan 0.000 0.459 621 A N 1.361 124.222 122.820 0.068 0.000 2.488 621 A HA 0.834 5.155 4.320 0.003 0.000 0.295 621 A C -1.074 176.532 177.584 0.036 0.000 1.045 621 A CA -0.714 51.346 52.037 0.037 0.000 0.703 621 A CB 1.255 20.249 19.000 -0.010 0.000 1.271 621 A HN 0.936 nan 8.150 nan 0.000 0.400 622 A N 1.526 124.381 122.820 0.058 0.000 2.444 622 A HA 0.543 4.865 4.320 0.003 0.000 0.273 622 A C -0.237 177.412 177.584 0.109 0.000 1.136 622 A CA 0.051 52.173 52.037 0.142 0.000 0.799 622 A CB -0.194 18.958 19.000 0.253 0.000 1.081 622 A HN 1.355 nan 8.150 nan 0.000 0.509 623 V N 3.019 123.012 119.914 0.131 0.000 2.444 623 V HA 0.446 4.567 4.120 0.003 0.000 0.294 623 V C 1.194 177.408 176.094 0.199 0.000 1.022 623 V CA 0.061 62.411 62.300 0.084 0.000 0.850 623 V CB 1.848 33.636 31.823 -0.058 0.000 0.992 623 V HN 1.094 nan 8.190 nan 0.000 0.426 624 G N 6.043 115.022 108.800 0.299 0.000 3.266 624 G HA2 0.270 4.232 3.960 0.003 0.000 0.238 624 G HA3 0.270 4.232 3.960 0.003 0.000 0.238 624 G C -0.102 174.880 174.900 0.135 0.000 1.076 624 G CA 0.322 45.568 45.100 0.242 0.000 1.804 624 G HN 0.472 nan 8.290 nan 0.000 0.600 625 L N -0.247 121.048 121.223 0.119 0.000 2.327 625 L HA 0.483 4.825 4.340 0.003 0.000 0.258 625 L C 0.774 177.723 176.870 0.131 0.000 1.024 625 L CA -1.138 53.765 54.840 0.105 0.000 0.825 625 L CB 2.094 44.203 42.059 0.084 0.000 1.386 625 L HN 0.191 nan 8.230 nan 0.000 0.417 626 S N -0.348 115.431 115.700 0.132 0.000 2.596 626 S HA -0.002 4.470 4.470 0.003 0.000 0.260 626 S C 0.689 175.401 174.600 0.187 0.000 1.336 626 S CA -0.343 57.960 58.200 0.172 0.000 0.993 626 S CB 0.651 63.937 63.200 0.144 0.000 0.923 626 S HN 0.836 nan 8.310 nan 0.000 0.567 627 W N 1.281 122.562 121.300 -0.033 0.000 2.409 627 W HA -0.013 4.649 4.660 0.003 0.000 0.299 627 W C 1.582 178.056 176.519 -0.076 0.000 1.203 627 W CA 1.653 58.931 57.345 -0.112 0.000 1.298 627 W CB -0.710 28.497 29.460 -0.422 0.000 1.127 627 W HN 0.811 nan 8.180 nan 0.000 0.528 628 E N 0.712 121.115 120.200 0.339 0.000 2.072 628 E HA -0.196 4.156 4.350 0.003 0.000 0.190 628 E C 1.810 178.469 176.600 0.098 0.000 0.982 628 E CA 1.360 57.898 56.400 0.230 0.000 0.803 628 E CB -0.450 29.348 29.700 0.163 0.000 0.755 628 E HN 0.315 nan 8.360 nan 0.000 0.453 629 E N 0.127 120.383 120.200 0.093 0.000 2.265 629 E HA -0.140 4.212 4.350 0.003 0.000 0.196 629 E C 2.002 178.639 176.600 0.062 0.000 0.996 629 E CA 0.601 57.044 56.400 0.071 0.000 0.832 629 E CB -0.164 29.583 29.700 0.078 0.000 0.756 629 E HN 0.173 nan 8.360 nan 0.000 0.491 630 C N 0.031 119.355 119.300 0.041 0.000 2.486 630 C HA 0.033 4.495 4.460 0.003 0.000 0.279 630 C C 2.448 177.420 174.990 -0.030 0.000 1.302 630 C CA 0.669 59.704 59.018 0.027 0.000 1.720 630 C CB -0.638 27.077 27.740 -0.042 0.000 2.030 630 C HN 0.378 nan 8.230 nan 0.000 0.490 631 K N 0.466 120.799 120.400 -0.112 0.000 2.044 631 K HA -0.242 4.080 4.320 0.003 0.000 0.210 631 K C 2.185 178.742 176.600 -0.071 0.000 1.049 631 K CA 2.232 58.444 56.287 -0.124 0.000 0.927 631 K CB -0.315 32.133 32.500 -0.086 0.000 0.713 631 K HN 0.804 nan 8.250 nan 0.000 0.443 632 Q N -0.706 119.075 119.800 -0.032 0.000 2.482 632 Q HA -0.057 4.285 4.340 0.003 0.000 0.209 632 Q C 1.031 177.001 176.000 -0.050 0.000 0.961 632 Q CA 0.716 56.499 55.803 -0.033 0.000 0.945 632 Q CB 0.248 28.980 28.738 -0.009 0.000 1.012 632 Q HN 0.183 nan 8.270 nan 0.000 0.515 633 R N -0.535 119.938 120.500 -0.045 0.000 2.472 633 R HA 0.265 4.607 4.340 0.003 0.000 0.279 633 R C -0.451 175.639 176.300 -0.349 0.000 0.953 633 R CA -0.327 55.726 56.100 -0.079 0.000 1.088 633 R CB 0.848 31.216 30.300 0.114 0.000 1.197 633 R HN 0.119 nan 8.270 nan 0.000 0.536 634 C N 4.157 123.290 119.300 -0.278 0.000 2.345 634 C HA 0.248 4.709 4.460 0.003 0.000 0.349 634 C C -1.689 173.077 174.990 -0.373 0.000 1.130 634 C CA -1.825 56.967 59.018 -0.377 0.000 1.574 634 C CB -0.252 27.381 27.740 -0.178 0.000 2.108 634 C HN 0.308 nan 8.230 nan 0.000 0.516 635 P HA 0.066 nan 4.420 nan 0.000 0.270 635 P C -2.573 174.598 177.300 -0.215 0.000 1.216 635 P CA -0.752 62.152 63.100 -0.327 0.000 0.788 635 P CB -0.359 31.132 31.700 -0.348 0.000 0.883 636 P HA 0.044 nan 4.420 nan 0.000 0.264 636 P C 1.120 178.353 177.300 -0.113 0.000 1.183 636 P CA 1.535 64.566 63.100 -0.115 0.000 0.763 636 P CB -0.198 31.451 31.700 -0.085 0.000 0.807 637 G N 1.018 109.749 108.800 -0.115 0.000 2.268 637 G HA2 -0.216 3.746 3.960 0.003 0.000 0.240 637 G HA3 -0.216 3.746 3.960 0.003 0.000 0.240 637 G C 0.066 174.854 174.900 -0.186 0.000 1.010 637 G CA -0.085 44.935 45.100 -0.133 0.000 0.618 637 G HN 0.567 nan 8.290 nan 0.000 0.516 638 V N 0.882 120.700 119.914 -0.159 0.000 2.481 638 V HA 0.780 4.901 4.120 0.003 0.000 0.286 638 V C 0.299 176.313 176.094 -0.133 0.000 1.042 638 V CA 0.024 62.239 62.300 -0.140 0.000 0.928 638 V CB 1.663 33.433 31.823 -0.088 0.000 0.986 638 V HN 0.866 nan 8.190 nan 0.000 0.462 639 V N 6.522 126.362 119.914 -0.124 0.000 3.078 639 V HA 0.699 4.820 4.120 0.003 0.000 0.311 639 V C -2.627 173.354 176.094 -0.189 0.000 1.138 639 V CA -2.374 59.837 62.300 -0.148 0.000 1.007 639 V CB 3.285 35.043 31.823 -0.109 0.000 1.045 639 V HN 0.758 nan 8.190 nan 0.000 0.432 640 P HA 0.325 nan 4.420 nan 0.000 0.281 640 P C -0.172 176.874 177.300 -0.424 0.000 1.286 640 P CA 0.127 62.843 63.100 -0.640 0.000 0.772 640 P CB 1.434 32.203 31.700 -1.551 0.000 0.862 641 A N 2.864 125.602 122.820 -0.136 0.000 2.035 641 A HA 0.174 4.496 4.320 0.003 0.000 0.208 641 A C 0.457 178.151 177.584 0.183 0.000 1.206 641 A CA 0.708 52.795 52.037 0.084 0.000 0.773 641 A CB 0.078 19.178 19.000 0.168 0.000 0.878 641 A HN 0.524 nan 8.150 nan 0.000 0.469 642 C N -0.068 119.362 119.300 0.217 0.000 2.381 642 C HA 0.422 4.884 4.460 0.003 0.000 0.328 642 C C -0.123 175.177 174.990 0.517 0.000 1.190 642 C CA -0.630 58.567 59.018 0.299 0.000 1.369 642 C CB -0.352 27.533 27.740 0.242 0.000 2.029 642 C HN 0.599 nan 8.230 nan 0.000 0.448 643 H N 3.581 122.949 119.070 0.497 0.000 2.882 643 H HA 0.134 4.692 4.556 0.003 0.000 0.258 643 H C 0.696 176.246 175.328 0.370 0.000 1.579 643 H CA -0.245 56.093 56.048 0.484 0.000 1.340 643 H CB 0.387 30.254 29.762 0.175 0.000 1.645 643 H HN 0.663 nan 8.280 nan 0.000 0.541 644 N N 1.518 120.507 118.700 0.483 0.000 2.135 644 N HA -0.094 4.648 4.740 0.003 0.000 0.186 644 N C 0.324 176.024 175.510 0.316 0.000 1.027 644 N CA 1.075 54.372 53.050 0.412 0.000 0.849 644 N CB 0.325 38.999 38.487 0.310 0.000 1.002 644 N HN 0.585 nan 8.380 nan 0.000 0.425 645 S N -1.593 114.261 115.700 0.256 0.000 2.672 645 S HA 0.392 4.864 4.470 0.003 0.000 0.271 645 S C 0.518 175.249 174.600 0.217 0.000 1.171 645 S CA -0.851 57.444 58.200 0.157 0.000 0.817 645 S CB 1.976 65.267 63.200 0.152 0.000 1.150 645 S HN -0.200 nan 8.310 nan 0.000 0.478 646 K N 0.474 120.971 120.400 0.162 0.000 2.020 646 K HA -0.104 4.217 4.320 0.003 0.000 0.212 646 K C -0.041 176.683 176.600 0.207 0.000 1.050 646 K CA 1.810 58.213 56.287 0.193 0.000 0.929 646 K CB -0.503 32.068 32.500 0.118 0.000 0.714 646 K HN 0.609 nan 8.250 nan 0.000 0.443 647 D N 0.499 120.995 120.400 0.161 0.000 2.559 647 D HA 0.047 4.689 4.640 0.003 0.000 0.234 647 D C -0.356 176.032 176.300 0.146 0.000 1.226 647 D CA 0.166 54.251 54.000 0.141 0.000 0.830 647 D CB 0.679 41.537 40.800 0.096 0.000 1.028 647 D HN 0.242 nan 8.370 nan 0.000 0.492 648 T N -2.496 112.174 114.554 0.193 0.000 3.032 648 T HA 0.648 4.999 4.350 0.003 0.000 0.312 648 T C -0.769 174.085 174.700 0.257 0.000 1.078 648 T CA -0.632 61.581 62.100 0.190 0.000 1.028 648 T CB 1.855 70.806 68.868 0.138 0.000 1.091 648 T HN -0.222 nan 8.240 nan 0.000 0.457 649 V N 1.872 121.921 119.914 0.224 0.000 3.159 649 V HA 0.737 4.858 4.120 0.003 0.000 0.308 649 V C -0.248 175.947 176.094 0.168 0.000 1.190 649 V CA -0.890 61.553 62.300 0.238 0.000 1.037 649 V CB 2.791 34.732 31.823 0.196 0.000 1.060 649 V HN 1.129 nan 8.190 nan 0.000 0.437 650 T N 3.868 118.521 114.554 0.165 0.000 2.797 650 T HA 0.689 5.040 4.350 0.003 0.000 0.279 650 T C -0.340 174.399 174.700 0.065 0.000 0.991 650 T CA -0.115 62.063 62.100 0.130 0.000 0.979 650 T CB 0.823 69.800 68.868 0.181 0.000 0.943 650 T HN 0.568 nan 8.240 nan 0.000 0.444 651 I N 0.150 120.745 120.570 0.041 0.000 2.793 651 I HA 0.898 5.070 4.170 0.003 0.000 0.313 651 I C 0.101 176.234 176.117 0.027 0.000 0.998 651 I CA -0.764 60.541 61.300 0.008 0.000 1.140 651 I CB 1.852 39.876 38.000 0.041 0.000 1.327 651 I HN 0.510 nan 8.210 nan 0.000 0.491 652 S N 1.642 117.337 115.700 -0.009 0.000 2.533 652 S HA 0.906 5.377 4.470 0.003 0.000 0.271 652 S C -0.599 173.921 174.600 -0.133 0.000 1.143 652 S CA 0.186 58.365 58.200 -0.035 0.000 0.891 652 S CB 1.452 64.665 63.200 0.020 0.000 1.105 652 S HN 1.435 nan 8.310 nan 0.000 0.468 653 G N 2.939 111.610 108.800 -0.215 0.000 2.325 653 G HA2 0.439 4.401 3.960 0.003 0.000 0.295 653 G HA3 0.439 4.401 3.960 0.003 0.000 0.295 653 G C -3.560 171.106 174.900 -0.391 0.000 1.274 653 G CA -0.644 44.211 45.100 -0.409 0.000 0.857 653 G HN 0.559 nan 8.290 nan 0.000 0.499 654 P HA 0.111 nan 4.420 nan 0.000 0.264 654 P C 0.734 177.944 177.300 -0.150 0.000 1.183 654 P CA 0.203 63.247 63.100 -0.093 0.000 0.763 654 P CB 1.031 32.724 31.700 -0.012 0.000 0.807 655 Q N 4.253 123.939 119.800 -0.191 0.000 2.045 655 Q HA -0.291 4.051 4.340 0.003 0.000 0.206 655 Q C 1.874 177.579 176.000 -0.492 0.000 0.991 655 Q CA 2.437 57.949 55.803 -0.486 0.000 0.851 655 Q CB -0.689 27.743 28.738 -0.509 0.000 0.911 655 Q HN 0.504 nan 8.270 nan 0.000 0.418 656 A N 1.088 123.767 122.820 -0.235 0.000 1.869 656 A HA -0.196 4.126 4.320 0.003 0.000 0.218 656 A C -0.313 177.268 177.584 -0.005 0.000 1.203 656 A CA 2.023 54.008 52.037 -0.087 0.000 0.638 656 A CB -1.865 17.119 19.000 -0.028 0.000 0.831 656 A HN 0.513 nan 8.150 nan 0.000 0.450 657 P HA -0.020 nan 4.420 nan 0.000 0.219 657 P C 1.548 178.906 177.300 0.096 0.000 1.150 657 P CA 1.003 64.117 63.100 0.022 0.000 0.814 657 P CB -0.095 31.587 31.700 -0.029 0.000 0.787 658 V N -1.041 118.907 119.914 0.056 0.000 2.323 658 V HA -0.200 3.922 4.120 0.003 0.000 0.244 658 V C 2.226 178.491 176.094 0.286 0.000 1.041 658 V CA 1.598 63.986 62.300 0.147 0.000 1.025 658 V CB -1.308 30.538 31.823 0.039 0.000 0.656 658 V HN -0.039 nan 8.190 nan 0.000 0.451 659 F N 1.008 120.975 119.950 0.029 0.000 2.069 659 F HA -0.166 4.363 4.527 0.003 0.000 0.298 659 F C 2.546 178.361 175.800 0.025 0.000 1.113 659 F CA 1.628 59.633 58.000 0.008 0.000 1.214 659 F CB -1.107 37.895 39.000 0.004 0.000 0.978 659 F HN 0.252 nan 8.300 nan 0.000 0.474 660 E N -0.970 119.388 120.200 0.263 0.000 2.118 660 E HA -0.241 4.111 4.350 0.003 0.000 0.195 660 E C 2.111 178.837 176.600 0.211 0.000 0.992 660 E CA 1.098 57.603 56.400 0.174 0.000 0.804 660 E CB -0.361 29.416 29.700 0.129 0.000 0.741 660 E HN 0.242 nan 8.360 nan 0.000 0.458 661 F N 0.525 120.498 119.950 0.039 0.000 2.206 661 F HA -0.106 4.423 4.527 0.003 0.000 0.298 661 F C 1.938 177.740 175.800 0.004 0.000 1.090 661 F CA 0.605 58.611 58.000 0.011 0.000 1.323 661 F CB -0.509 38.489 39.000 -0.002 0.000 1.028 661 F HN -0.183 nan 8.300 nan 0.000 0.492 662 V N 0.623 120.519 119.914 -0.031 0.000 2.295 662 V HA -0.307 3.814 4.120 0.003 0.000 0.246 662 V C 2.268 178.280 176.094 -0.136 0.000 1.049 662 V CA 2.356 64.549 62.300 -0.179 0.000 1.024 662 V CB -0.610 31.148 31.823 -0.107 0.000 0.648 662 V HN 0.280 nan 8.190 nan 0.000 0.447 663 E N -0.188 119.983 120.200 -0.049 0.000 2.058 663 E HA -0.303 4.048 4.350 0.003 0.000 0.194 663 E C 2.294 178.884 176.600 -0.016 0.000 0.997 663 E CA 1.555 57.931 56.400 -0.040 0.000 0.801 663 E CB -0.292 29.402 29.700 -0.009 0.000 0.746 663 E HN 0.671 nan 8.360 nan 0.000 0.450 664 Q N 0.934 120.757 119.800 0.039 0.000 2.226 664 Q HA -0.182 4.160 4.340 0.003 0.000 0.204 664 Q C 2.138 178.155 176.000 0.028 0.000 0.975 664 Q CA 0.918 56.760 55.803 0.065 0.000 0.866 664 Q CB -0.010 28.818 28.738 0.151 0.000 0.915 664 Q HN 0.355 nan 8.270 nan 0.000 0.440 665 L N 0.300 121.491 121.223 -0.052 0.000 2.027 665 L HA -0.161 4.181 4.340 0.003 0.000 0.206 665 L C 2.755 179.579 176.870 -0.077 0.000 1.074 665 L CA 1.484 56.254 54.840 -0.116 0.000 0.745 665 L CB -0.431 41.443 42.059 -0.308 0.000 0.898 665 L HN 0.293 nan 8.230 nan 0.000 0.433 666 R N 0.029 120.474 120.500 -0.093 0.000 2.096 666 R HA -0.192 4.150 4.340 0.003 0.000 0.235 666 R C 2.238 178.520 176.300 -0.030 0.000 1.127 666 R CA 1.131 57.189 56.100 -0.070 0.000 0.968 666 R CB -0.278 29.968 30.300 -0.090 0.000 0.861 666 R HN 0.210 nan 8.270 nan 0.000 0.440 667 K N 1.407 121.796 120.400 -0.020 0.000 2.009 667 K HA -0.144 4.178 4.320 0.003 0.000 0.210 667 K C 1.366 177.970 176.600 0.007 0.000 1.049 667 K CA 1.514 57.799 56.287 -0.002 0.000 0.929 667 K CB 0.050 32.555 32.500 0.008 0.000 0.714 667 K HN 0.190 nan 8.250 nan 0.000 0.440 668 E N -0.632 119.576 120.200 0.013 0.000 2.382 668 E HA 0.075 4.427 4.350 0.003 0.000 0.190 668 E C 0.461 177.073 176.600 0.021 0.000 1.125 668 E CA 0.335 56.748 56.400 0.023 0.000 0.929 668 E CB 0.098 29.821 29.700 0.038 0.000 1.053 668 E HN 0.511 nan 8.360 nan 0.000 0.475 669 G N 0.621 109.429 108.800 0.014 0.000 2.155 669 G HA2 -0.301 3.661 3.960 0.003 0.000 0.257 669 G HA3 -0.301 3.661 3.960 0.003 0.000 0.257 669 G C 0.384 175.305 174.900 0.035 0.000 0.983 669 G CA 0.290 45.404 45.100 0.023 0.000 0.676 669 G HN 0.217 nan 8.290 nan 0.000 0.528 670 V N 0.459 120.385 119.914 0.020 0.000 2.644 670 V HA 0.618 4.740 4.120 0.003 0.000 0.295 670 V C 0.605 176.725 176.094 0.043 0.000 1.053 670 V CA -0.790 61.532 62.300 0.038 0.000 0.987 670 V CB 1.563 33.393 31.823 0.011 0.000 1.006 670 V HN 0.377 nan 8.190 nan 0.000 0.472 671 F N 3.732 123.661 119.950 -0.036 0.000 2.472 671 F HA 0.556 5.085 4.527 0.003 0.000 0.364 671 F C 0.379 176.140 175.800 -0.065 0.000 1.090 671 F CA -0.235 57.743 58.000 -0.038 0.000 1.188 671 F CB 0.175 39.166 39.000 -0.016 0.000 1.105 671 F HN 0.544 nan 8.300 nan 0.000 0.536 672 A N 7.578 129.948 122.820 -0.750 0.000 2.410 672 A HA 0.466 4.788 4.320 0.003 0.000 0.289 672 A C -1.046 176.092 177.584 -0.744 0.000 1.200 672 A CA -0.870 50.804 52.037 -0.605 0.000 0.751 672 A CB 0.668 19.435 19.000 -0.389 0.000 1.161 672 A HN 0.783 nan 8.150 nan 0.000 0.459 673 K N 3.361 123.360 120.400 -0.667 0.000 2.507 673 K HA 0.319 4.641 4.320 0.003 0.000 0.253 673 K C -0.557 175.963 176.600 -0.133 0.000 0.969 673 K CA -0.326 55.712 56.287 -0.414 0.000 0.908 673 K CB 1.067 33.349 32.500 -0.363 0.000 1.127 673 K HN 0.703 nan 8.250 nan 0.000 0.437 674 E N 3.747 123.884 120.200 -0.105 0.000 2.415 674 E HA 0.019 4.370 4.350 0.003 0.000 0.263 674 E C -0.509 176.119 176.600 0.047 0.000 0.995 674 E CA -0.226 56.173 56.400 -0.002 0.000 0.915 674 E CB 0.818 30.514 29.700 -0.006 0.000 0.951 674 E HN 0.424 nan 8.360 nan 0.000 0.449 675 V N 4.549 124.518 119.914 0.092 0.000 3.036 675 V HA 0.244 4.366 4.120 0.003 0.000 0.308 675 V C 0.644 176.813 176.094 0.125 0.000 1.070 675 V CA -0.381 61.991 62.300 0.121 0.000 1.056 675 V CB 1.312 33.229 31.823 0.156 0.000 1.084 675 V HN 0.662 nan 8.190 nan 0.000 0.471 676 R N 0.993 121.578 120.500 0.143 0.000 2.204 676 R HA 0.397 4.738 4.340 0.003 0.000 0.341 676 R C 0.320 176.724 176.300 0.173 0.000 1.035 676 R CA 0.330 56.513 56.100 0.139 0.000 0.887 676 R CB 0.762 31.148 30.300 0.143 0.000 1.114 676 R HN 0.965 nan 8.270 nan 0.000 0.473 677 T N 0.159 114.785 114.554 0.120 0.000 3.337 677 T HA 0.193 4.545 4.350 0.003 0.000 0.299 677 T C 0.916 175.614 174.700 -0.004 0.000 0.998 677 T CA 0.155 62.327 62.100 0.119 0.000 0.948 677 T CB 0.788 69.599 68.868 -0.096 0.000 1.170 677 T HN 0.655 nan 8.240 nan 0.000 0.508 678 G N 0.942 109.754 108.800 0.021 0.000 2.258 678 G HA2 0.092 4.054 3.960 0.003 0.000 0.274 678 G HA3 0.092 4.054 3.960 0.003 0.000 0.274 678 G C 1.139 176.002 174.900 -0.062 0.000 1.021 678 G CA 0.355 45.440 45.100 -0.025 0.000 0.798 678 G HN 1.978 nan 8.290 nan 0.000 0.507 679 G N -1.844 106.917 108.800 -0.064 0.000 2.221 679 G HA2 -0.155 3.807 3.960 0.003 0.000 0.265 679 G HA3 -0.155 3.807 3.960 0.003 0.000 0.265 679 G C 0.245 175.055 174.900 -0.150 0.000 1.041 679 G CA 1.127 46.177 45.100 -0.082 0.000 0.807 679 G HN 0.986 nan 8.290 nan 0.000 0.502 680 M N -0.563 118.862 119.600 -0.291 0.000 2.662 680 M HA 0.691 5.172 4.480 0.003 0.000 0.310 680 M C 0.251 176.231 176.300 -0.533 0.000 1.204 680 M CA -0.720 54.337 55.300 -0.404 0.000 0.891 680 M CB 2.160 34.456 32.600 -0.507 0.000 1.732 680 M HN 0.608 nan 8.290 nan 0.000 0.467 681 A N 2.440 125.085 122.820 -0.292 0.000 2.582 681 A HA 0.634 4.956 4.320 0.003 0.000 0.336 681 A C -0.849 176.672 177.584 -0.104 0.000 1.445 681 A CA -0.432 51.489 52.037 -0.193 0.000 0.997 681 A CB -0.517 18.424 19.000 -0.099 0.000 1.148 681 A HN 0.549 nan 8.150 nan 0.000 0.514 682 F N 1.038 121.016 119.950 0.047 0.000 2.380 682 F HA 0.335 4.864 4.527 0.003 0.000 0.325 682 F C 1.473 177.263 175.800 -0.018 0.000 1.136 682 F CA 0.028 57.994 58.000 -0.057 0.000 1.171 682 F CB 0.159 39.101 39.000 -0.098 0.000 1.230 682 F HN 0.677 nan 8.300 nan 0.000 0.554 683 H N -1.207 118.039 119.070 0.293 0.000 2.791 683 H HA -0.163 4.395 4.556 0.003 0.000 0.302 683 H C 0.035 175.446 175.328 0.139 0.000 1.198 683 H CA 0.592 56.747 56.048 0.177 0.000 1.145 683 H CB -1.644 28.217 29.762 0.165 0.000 1.385 683 H HN 0.526 nan 8.280 nan 0.000 0.409 684 S N -1.661 114.145 115.700 0.177 0.000 2.685 684 S HA 0.380 4.852 4.470 0.003 0.000 0.282 684 S C 0.820 175.531 174.600 0.184 0.000 1.159 684 S CA -0.400 57.887 58.200 0.144 0.000 0.833 684 S CB 1.811 65.040 63.200 0.048 0.000 1.151 684 S HN 0.139 nan 8.310 nan 0.000 0.485 685 Y N 1.226 121.582 120.300 0.094 0.000 2.256 685 Y HA -0.053 4.499 4.550 0.003 0.000 0.288 685 Y C 1.386 177.451 175.900 0.275 0.000 1.155 685 Y CA 1.658 59.849 58.100 0.151 0.000 1.203 685 Y CB -0.445 38.097 38.460 0.135 0.000 0.980 685 Y HN 0.644 nan 8.280 nan 0.000 0.530 686 F N -0.121 119.779 119.950 -0.083 0.000 2.307 686 F HA -0.250 4.279 4.527 0.003 0.000 0.301 686 F C 2.056 177.746 175.800 -0.184 0.000 1.076 686 F CA 0.904 58.797 58.000 -0.179 0.000 1.383 686 F CB -0.644 38.326 39.000 -0.049 0.000 1.055 686 F HN 0.216 nan 8.300 nan 0.000 0.526 687 M N -0.947 118.698 119.600 0.076 0.000 2.492 687 M HA -0.087 4.395 4.480 0.003 0.000 0.262 687 M C 1.856 178.130 176.300 -0.044 0.000 1.090 687 M CA 0.743 56.063 55.300 0.033 0.000 1.110 687 M CB -1.071 31.575 32.600 0.076 0.000 1.407 687 M HN 0.164 nan 8.290 nan 0.000 0.470 688 E N 0.802 120.928 120.200 -0.123 0.000 2.171 688 E HA -0.155 4.197 4.350 0.003 0.000 0.197 688 E C 1.909 178.436 176.600 -0.121 0.000 0.997 688 E CA 1.465 57.788 56.400 -0.128 0.000 0.810 688 E CB -0.005 29.591 29.700 -0.175 0.000 0.738 688 E HN 0.510 nan 8.360 nan 0.000 0.467 689 A N 0.381 123.104 122.820 -0.163 0.000 2.168 689 A HA -0.087 4.235 4.320 0.003 0.000 0.215 689 A C 1.803 179.342 177.584 -0.075 0.000 1.152 689 A CA 0.603 52.569 52.037 -0.120 0.000 0.716 689 A CB -0.095 18.815 19.000 -0.149 0.000 0.794 689 A HN 0.140 nan 8.150 nan 0.000 0.465 690 I N -0.516 120.020 120.570 -0.058 0.000 2.716 690 I HA -0.056 4.116 4.170 0.003 0.000 0.259 690 I C 2.766 178.872 176.117 -0.018 0.000 1.172 690 I CA 0.912 62.195 61.300 -0.029 0.000 1.478 690 I CB -1.619 36.381 38.000 -0.001 0.000 1.104 690 I HN 0.322 nan 8.210 nan 0.000 0.439 691 A N 2.410 125.218 122.820 -0.020 0.000 1.869 691 A HA -0.177 4.145 4.320 0.003 0.000 0.218 691 A C 0.219 177.795 177.584 -0.014 0.000 1.203 691 A CA 2.127 54.158 52.037 -0.011 0.000 0.638 691 A CB -2.143 16.852 19.000 -0.009 0.000 0.831 691 A HN 0.262 nan 8.150 nan 0.000 0.450 692 P HA -0.124 nan 4.420 nan 0.000 0.214 692 P C -1.303 175.978 177.300 -0.031 0.000 1.163 692 P CA 2.259 65.345 63.100 -0.022 0.000 0.883 692 P CB -0.858 30.829 31.700 -0.022 0.000 0.788 693 P HA -0.093 nan 4.420 nan 0.000 0.219 693 P C 1.689 178.954 177.300 -0.058 0.000 1.150 693 P CA 0.931 64.004 63.100 -0.046 0.000 0.814 693 P CB -0.295 31.385 31.700 -0.033 0.000 0.787 694 L N -0.128 121.079 121.223 -0.026 0.000 2.027 694 L HA -0.087 4.255 4.340 0.003 0.000 0.206 694 L C 2.418 179.268 176.870 -0.035 0.000 1.074 694 L CA 1.521 56.356 54.840 -0.009 0.000 0.745 694 L CB -1.794 40.279 42.059 0.023 0.000 0.898 694 L HN -0.164 nan 8.230 nan 0.000 0.433 695 L N -0.370 120.836 121.223 -0.028 0.000 2.079 695 L HA -0.259 4.083 4.340 0.003 0.000 0.210 695 L C 2.612 179.448 176.870 -0.057 0.000 1.081 695 L CA 2.203 57.028 54.840 -0.026 0.000 0.752 695 L CB -0.751 41.300 42.059 -0.014 0.000 0.896 695 L HN 0.605 nan 8.230 nan 0.000 0.433 696 Q N -1.045 118.707 119.800 -0.081 0.000 2.119 696 Q HA -0.208 4.134 4.340 0.003 0.000 0.201 696 Q C 1.866 177.753 176.000 -0.188 0.000 0.972 696 Q CA 1.573 57.310 55.803 -0.110 0.000 0.847 696 Q CB -0.025 28.651 28.738 -0.102 0.000 0.903 696 Q HN 0.557 nan 8.270 nan 0.000 0.433 697 E N 0.601 120.630 120.200 -0.285 0.000 2.072 697 E HA -0.113 4.239 4.350 0.003 0.000 0.190 697 E C 2.173 178.558 176.600 -0.359 0.000 0.982 697 E CA 0.725 56.796 56.400 -0.548 0.000 0.803 697 E CB -0.132 29.009 29.700 -0.932 0.000 0.755 697 E HN 0.450 nan 8.360 nan 0.000 0.453 698 L N 0.561 121.687 121.223 -0.161 0.000 2.141 698 L HA -0.115 4.227 4.340 0.003 0.000 0.209 698 L C 2.352 179.208 176.870 -0.023 0.000 1.094 698 L CA 0.938 55.756 54.840 -0.036 0.000 0.763 698 L CB -0.283 41.793 42.059 0.029 0.000 0.908 698 L HN 0.047 nan 8.230 nan 0.000 0.437 699 K N 0.243 120.616 120.400 -0.046 0.000 2.209 699 K HA -0.138 4.184 4.320 0.003 0.000 0.204 699 K C 2.003 178.588 176.600 -0.026 0.000 1.048 699 K CA 1.034 57.306 56.287 -0.025 0.000 0.940 699 K CB 0.103 32.585 32.500 -0.030 0.000 0.729 699 K HN 0.291 nan 8.250 nan 0.000 0.451 700 K N 0.018 120.384 120.400 -0.057 0.000 2.243 700 K HA -0.010 4.312 4.320 0.003 0.000 0.201 700 K C 1.872 178.479 176.600 0.011 0.000 1.051 700 K CA 0.685 56.951 56.287 -0.035 0.000 0.970 700 K CB 0.300 32.757 32.500 -0.073 0.000 0.755 700 K HN -0.049 nan 8.250 nan 0.000 0.465 701 V N 1.647 121.574 119.914 0.021 0.000 2.379 701 V HA -0.042 4.080 4.120 0.003 0.000 0.243 701 V C 1.294 177.435 176.094 0.078 0.000 1.035 701 V CA 0.984 63.336 62.300 0.088 0.000 1.035 701 V CB -0.059 31.855 31.823 0.152 0.000 0.673 701 V HN 0.182 nan 8.190 nan 0.000 0.457 702 I N 0.645 121.252 120.570 0.062 0.000 2.317 702 I HA 0.274 4.446 4.170 0.003 0.000 0.286 702 I C 1.336 177.477 176.117 0.040 0.000 1.119 702 I CA -0.026 61.310 61.300 0.060 0.000 1.228 702 I CB 0.359 38.401 38.000 0.069 0.000 1.476 702 I HN 0.080 nan 8.210 nan 0.000 0.514 703 R N 2.381 122.902 120.500 0.036 0.000 2.115 703 R HA 0.024 4.366 4.340 0.003 0.000 0.226 703 R C 0.037 176.350 176.300 0.021 0.000 1.100 703 R CA 1.041 57.156 56.100 0.025 0.000 0.980 703 R CB 0.186 30.500 30.300 0.023 0.000 0.875 703 R HN 0.537 nan 8.270 nan 0.000 0.445 704 E N 0.427 120.641 120.200 0.024 0.000 2.873 704 E HA 0.220 4.571 4.350 0.003 0.000 0.232 704 E C -2.536 174.075 176.600 0.018 0.000 1.123 704 E CA -1.886 54.525 56.400 0.018 0.000 0.809 704 E CB 1.547 31.255 29.700 0.014 0.000 1.366 704 E HN -0.005 nan 8.360 nan 0.000 0.400 705 P HA -0.072 nan 4.420 nan 0.000 0.266 705 P C -0.621 176.680 177.300 0.002 0.000 1.186 705 P CA 0.321 63.430 63.100 0.014 0.000 0.767 705 P CB 0.673 32.379 31.700 0.010 0.000 0.820 706 K N 2.969 123.368 120.400 -0.002 0.000 2.328 706 K HA 0.482 4.804 4.320 0.003 0.000 0.246 706 K C -2.480 174.103 176.600 -0.030 0.000 0.955 706 K CA -2.205 54.076 56.287 -0.010 0.000 0.817 706 K CB 1.533 34.033 32.500 0.000 0.000 1.208 706 K HN 0.331 nan 8.250 nan 0.000 0.432 707 P HA 0.090 nan 4.420 nan 0.000 0.271 707 P C -1.018 176.246 177.300 -0.059 0.000 1.218 707 P CA -0.148 62.916 63.100 -0.060 0.000 0.780 707 P CB 0.620 32.294 31.700 -0.044 0.000 0.901 708 R N 1.405 121.830 120.500 -0.126 0.000 2.216 708 R HA 0.243 4.585 4.340 0.003 0.000 0.332 708 R C 1.005 177.258 176.300 -0.078 0.000 1.056 708 R CA -0.283 55.749 56.100 -0.115 0.000 0.901 708 R CB 0.464 30.473 30.300 -0.486 0.000 1.039 708 R HN 0.577 nan 8.270 nan 0.000 0.456 709 S N 2.237 117.941 115.700 0.007 0.000 2.563 709 S HA -0.033 4.439 4.470 0.003 0.000 0.269 709 S C 1.346 175.914 174.600 -0.055 0.000 1.364 709 S CA 0.113 58.297 58.200 -0.028 0.000 1.010 709 S CB 1.177 64.357 63.200 -0.035 0.000 0.877 709 S HN 0.697 nan 8.310 nan 0.000 0.549 710 A N 2.377 125.158 122.820 -0.063 0.000 2.209 710 A HA 0.077 4.399 4.320 0.003 0.000 0.212 710 A C 2.269 179.796 177.584 -0.095 0.000 1.158 710 A CA 0.683 52.678 52.037 -0.070 0.000 0.742 710 A CB -0.486 18.502 19.000 -0.021 0.000 0.790 710 A HN 0.918 nan 8.150 nan 0.000 0.472 711 R N -2.093 118.336 120.500 -0.118 0.000 2.115 711 R HA -0.103 4.239 4.340 0.003 0.000 0.226 711 R C 0.393 176.589 176.300 -0.173 0.000 1.100 711 R CA 0.659 56.621 56.100 -0.230 0.000 0.980 711 R CB -0.047 30.077 30.300 -0.293 0.000 0.875 711 R HN 0.626 nan 8.270 nan 0.000 0.445 712 W N 2.045 123.170 121.300 -0.291 0.000 2.416 712 W HA 0.234 4.896 4.660 0.003 0.000 0.318 712 W C -1.282 175.037 176.519 -0.333 0.000 1.150 712 W CA -1.560 55.632 57.345 -0.255 0.000 1.392 712 W CB 0.167 29.497 29.460 -0.215 0.000 1.311 712 W HN -0.149 nan 8.180 nan 0.000 0.436 713 L N 5.929 127.173 121.223 0.036 0.000 2.278 713 L HA 0.125 4.467 4.340 0.003 0.000 0.287 713 L C 0.975 177.666 176.870 -0.299 0.000 1.072 713 L CA -0.174 54.406 54.840 -0.433 0.000 0.819 713 L CB 0.461 42.451 42.059 -0.116 0.000 1.176 713 L HN 0.410 nan 8.230 nan 0.000 0.435 714 S N 1.496 116.769 115.700 -0.711 0.000 2.560 714 S HA 0.153 4.624 4.470 0.003 0.000 0.284 714 S C 1.160 175.856 174.600 0.159 0.000 1.327 714 S CA 0.222 58.290 58.200 -0.221 0.000 1.055 714 S CB 0.397 63.465 63.200 -0.219 0.000 0.868 714 S HN 0.798 nan 8.310 nan 0.000 0.506 715 T N 0.133 114.815 114.554 0.212 0.000 3.044 715 T HA 0.146 4.498 4.350 0.003 0.000 0.260 715 T C 1.270 176.045 174.700 0.125 0.000 1.019 715 T CA 0.309 62.539 62.100 0.217 0.000 0.921 715 T CB -0.055 68.962 68.868 0.247 0.000 1.053 715 T HN 0.562 nan 8.240 nan 0.000 0.533 716 S N 0.664 116.409 115.700 0.075 0.000 2.502 716 S HA 0.438 4.909 4.470 0.003 0.000 0.215 716 S C 0.341 174.944 174.600 0.004 0.000 1.009 716 S CA -0.549 57.645 58.200 -0.011 0.000 0.908 716 S CB -0.216 62.892 63.200 -0.152 0.000 0.801 716 S HN 0.499 nan 8.310 nan 0.000 0.505 717 I N 2.827 123.447 120.570 0.084 0.000 2.418 717 I HA 0.437 4.609 4.170 0.003 0.000 0.287 717 I C -2.888 173.359 176.117 0.216 0.000 1.008 717 I CA -2.815 58.565 61.300 0.132 0.000 1.104 717 I CB 2.279 40.369 38.000 0.151 0.000 1.264 717 I HN -0.101 nan 8.210 nan 0.000 0.438 718 P HA -0.016 nan 4.420 nan 0.000 0.267 718 P C 0.645 177.674 177.300 -0.452 0.000 1.200 718 P CA 0.026 63.051 63.100 -0.125 0.000 0.772 718 P CB 0.742 32.373 31.700 -0.114 0.000 0.855 719 E N 2.734 122.411 120.200 -0.871 0.000 2.097 719 E HA -0.295 4.057 4.350 0.003 0.000 0.196 719 E C 1.749 177.855 176.600 -0.823 0.000 1.000 719 E CA 1.581 56.970 56.400 -1.685 0.000 0.804 719 E CB -0.362 28.498 29.700 -1.400 0.000 0.740 719 E HN 0.505 nan 8.360 nan 0.000 0.454 720 A N 0.308 122.871 122.820 -0.428 0.000 2.032 720 A HA -0.232 4.090 4.320 0.003 0.000 0.221 720 A C 1.846 179.355 177.584 -0.125 0.000 1.165 720 A CA 1.713 53.625 52.037 -0.208 0.000 0.645 720 A CB -0.272 18.645 19.000 -0.138 0.000 0.807 720 A HN 0.284 nan 8.150 nan 0.000 0.453 721 Q N -2.322 117.398 119.800 -0.133 0.000 2.219 721 Q HA 0.088 4.430 4.340 0.003 0.000 0.209 721 Q C 0.871 176.913 176.000 0.071 0.000 0.854 721 Q CA -0.275 55.522 55.803 -0.010 0.000 0.960 721 Q CB 0.150 28.897 28.738 0.014 0.000 1.116 721 Q HN 0.786 nan 8.270 nan 0.000 0.500 722 W N 0.102 121.280 121.300 -0.203 0.000 2.387 722 W HA -0.119 4.543 4.660 0.003 0.000 0.272 722 W C 1.012 177.260 176.519 -0.452 0.000 1.224 722 W CA 1.064 58.194 57.345 -0.359 0.000 1.210 722 W CB -0.157 28.997 29.460 -0.509 0.000 1.125 722 W HN 0.372 nan 8.180 nan 0.000 0.572 723 H N -1.047 118.134 119.070 0.185 0.000 2.549 723 H HA 0.150 4.707 4.556 0.003 0.000 0.279 723 H C 1.309 176.673 175.328 0.060 0.000 1.018 723 H CA 0.639 56.745 56.048 0.097 0.000 1.175 723 H CB -0.364 29.446 29.762 0.079 0.000 1.485 723 H HN -0.080 nan 8.280 nan 0.000 0.543 724 S N 0.026 115.797 115.700 0.118 0.000 2.617 724 S HA 0.003 4.475 4.470 0.003 0.000 0.255 724 S C 1.919 176.557 174.600 0.063 0.000 1.318 724 S CA 0.099 58.349 58.200 0.082 0.000 0.978 724 S CB 1.620 64.859 63.200 0.066 0.000 0.961 724 S HN 0.260 nan 8.310 nan 0.000 0.582 725 S N -0.013 115.716 115.700 0.049 0.000 2.387 725 S HA -0.106 4.366 4.470 0.003 0.000 0.226 725 S C 1.745 176.368 174.600 0.037 0.000 1.026 725 S CA 0.966 59.188 58.200 0.036 0.000 0.972 725 S CB -0.894 62.325 63.200 0.031 0.000 0.814 725 S HN 0.683 nan 8.310 nan 0.000 0.477 726 L N 2.068 123.324 121.223 0.055 0.000 2.056 726 L HA 0.253 4.594 4.340 0.003 0.000 0.207 726 L C 2.448 179.397 176.870 0.130 0.000 1.078 726 L CA 1.976 56.868 54.840 0.087 0.000 0.749 726 L CB -1.096 41.011 42.059 0.081 0.000 0.901 726 L HN 0.366 nan 8.230 nan 0.000 0.433 727 A N -1.076 121.799 122.820 0.093 0.000 2.239 727 A HA -0.111 4.210 4.320 0.003 0.000 0.209 727 A C 2.296 179.793 177.584 -0.145 0.000 1.171 727 A CA 1.035 53.096 52.037 0.041 0.000 0.768 727 A CB -0.623 18.395 19.000 0.030 0.000 0.790 727 A HN 0.476 nan 8.150 nan 0.000 0.478 728 R N 0.129 120.575 120.500 -0.091 0.000 2.075 728 R HA -0.013 4.329 4.340 0.003 0.000 0.226 728 R C 0.944 177.136 176.300 -0.181 0.000 1.114 728 R CA 1.710 57.741 56.100 -0.115 0.000 0.972 728 R CB -0.080 30.195 30.300 -0.042 0.000 0.869 728 R HN 0.540 nan 8.270 nan 0.000 0.437 729 T N -3.877 110.568 114.554 -0.180 0.000 2.930 729 T HA 0.302 4.653 4.350 0.003 0.000 0.290 729 T C -0.270 174.246 174.700 -0.305 0.000 1.052 729 T CA -0.835 61.154 62.100 -0.184 0.000 1.017 729 T CB 1.741 70.564 68.868 -0.074 0.000 1.137 729 T HN -0.077 nan 8.240 nan 0.000 0.511 730 S N 1.755 117.325 115.700 -0.217 0.000 3.940 730 S HA 0.432 4.904 4.470 0.003 0.000 0.210 730 S C 0.476 175.088 174.600 0.020 0.000 1.419 730 S CA -0.719 57.383 58.200 -0.163 0.000 0.912 730 S CB -1.501 61.732 63.200 0.055 0.000 1.489 730 S HN 0.891 nan 8.310 nan 0.000 0.469 731 S N 2.393 118.127 115.700 0.056 0.000 2.713 731 S HA 0.726 5.197 4.470 0.003 0.000 0.277 731 S C 1.605 176.281 174.600 0.127 0.000 1.168 731 S CA -0.334 57.917 58.200 0.085 0.000 0.994 731 S CB 0.761 64.002 63.200 0.068 0.000 1.054 731 S HN 0.596 nan 8.310 nan 0.000 0.555 732 A N 0.421 123.294 122.820 0.088 0.000 1.902 732 A HA -0.066 4.256 4.320 0.003 0.000 0.217 732 A C 1.971 179.605 177.584 0.084 0.000 1.181 732 A CA 1.806 53.889 52.037 0.078 0.000 0.623 732 A CB -1.252 17.771 19.000 0.040 0.000 0.818 732 A HN 0.863 nan 8.150 nan 0.000 0.443 733 E N -1.455 118.795 120.200 0.082 0.000 2.077 733 E HA -0.168 4.184 4.350 0.003 0.000 0.193 733 E C 1.759 178.413 176.600 0.090 0.000 0.989 733 E CA 1.400 57.842 56.400 0.071 0.000 0.800 733 E CB -0.477 29.261 29.700 0.062 0.000 0.746 733 E HN 0.774 nan 8.360 nan 0.000 0.452 734 Y N 1.586 121.893 120.300 0.012 0.000 2.181 734 Y HA -0.208 4.344 4.550 0.003 0.000 0.288 734 Y C 1.644 177.564 175.900 0.033 0.000 1.146 734 Y CA 1.577 59.680 58.100 0.005 0.000 1.164 734 Y CB 0.022 38.469 38.460 -0.021 0.000 0.982 734 Y HN 0.048 nan 8.280 nan 0.000 0.515 735 N N -0.492 118.320 118.700 0.186 0.000 2.216 735 N HA -0.136 4.606 4.740 0.003 0.000 0.183 735 N C 1.931 177.455 175.510 0.024 0.000 1.017 735 N CA 1.454 54.574 53.050 0.117 0.000 0.861 735 N CB -0.343 38.242 38.487 0.164 0.000 0.986 735 N HN 0.278 nan 8.380 nan 0.000 0.428 736 V N 2.435 122.365 119.914 0.026 0.000 2.343 736 V HA -0.188 3.933 4.120 0.003 0.000 0.247 736 V C 2.318 178.402 176.094 -0.016 0.000 1.051 736 V CA 1.362 63.666 62.300 0.008 0.000 1.036 736 V CB -0.653 31.178 31.823 0.014 0.000 0.654 736 V HN 0.432 nan 8.190 nan 0.000 0.451 737 N N 0.651 119.323 118.700 -0.047 0.000 2.223 737 N HA -0.240 4.502 4.740 0.003 0.000 0.185 737 N C 1.863 177.330 175.510 -0.071 0.000 1.016 737 N CA 1.522 54.534 53.050 -0.065 0.000 0.863 737 N CB -0.268 38.156 38.487 -0.105 0.000 0.983 737 N HN 0.599 nan 8.380 nan 0.000 0.429 738 N N 1.513 120.138 118.700 -0.125 0.000 2.069 738 N HA -0.190 4.552 4.740 0.003 0.000 0.191 738 N C 2.006 177.581 175.510 0.108 0.000 1.031 738 N CA 0.878 53.900 53.050 -0.047 0.000 0.852 738 N CB -0.435 38.019 38.487 -0.056 0.000 1.018 738 N HN 0.263 nan 8.380 nan 0.000 0.423 739 L N 1.476 122.708 121.223 0.015 0.000 2.127 739 L HA -0.093 4.249 4.340 0.003 0.000 0.211 739 L C 2.248 179.098 176.870 -0.033 0.000 1.089 739 L CA 1.513 56.303 54.840 -0.084 0.000 0.757 739 L CB -0.576 41.436 42.059 -0.079 0.000 0.899 739 L HN 0.277 nan 8.230 nan 0.000 0.434 740 V N -4.614 115.329 119.914 0.048 0.000 3.608 740 V HA 0.299 4.421 4.120 0.003 0.000 0.269 740 V C 0.914 177.093 176.094 0.141 0.000 1.245 740 V CA 0.302 62.650 62.300 0.081 0.000 1.138 740 V CB -0.502 31.354 31.823 0.055 0.000 0.841 740 V HN 0.318 nan 8.190 nan 0.000 0.451 741 S N 1.821 117.627 115.700 0.177 0.000 2.681 741 S HA 0.638 5.110 4.470 0.003 0.000 0.299 741 S C -2.685 172.058 174.600 0.238 0.000 1.113 741 S CA -1.053 57.252 58.200 0.175 0.000 1.013 741 S CB 1.615 64.874 63.200 0.099 0.000 1.076 741 S HN 0.305 nan 8.310 nan 0.000 0.534 742 P HA 0.184 nan 4.420 nan 0.000 0.272 742 P C -1.003 176.334 177.300 0.061 0.000 1.240 742 P CA -0.363 62.856 63.100 0.199 0.000 0.791 742 P CB 0.313 32.227 31.700 0.358 0.000 0.978 743 V N 2.685 122.587 119.914 -0.020 0.000 2.318 743 V HA 0.153 4.275 4.120 0.003 0.000 0.271 743 V C 0.767 176.915 176.094 0.089 0.000 1.030 743 V CA -0.226 62.001 62.300 -0.122 0.000 0.844 743 V CB 0.197 31.737 31.823 -0.472 0.000 1.015 743 V HN 0.317 nan 8.190 nan 0.000 0.460 744 L N 5.197 126.484 121.223 0.107 0.000 2.536 744 L HA 0.253 4.595 4.340 0.003 0.000 0.242 744 L C 1.130 178.099 176.870 0.165 0.000 1.280 744 L CA -0.042 54.871 54.840 0.122 0.000 1.221 744 L CB -0.507 41.593 42.059 0.068 0.000 1.449 744 L HN 0.554 nan 8.230 nan 0.000 0.405 745 F N 1.101 121.060 119.950 0.015 0.000 2.074 745 F HA -0.190 4.338 4.527 0.003 0.000 0.293 745 F C 2.582 178.399 175.800 0.029 0.000 1.116 745 F CA 1.675 59.710 58.000 0.057 0.000 1.212 745 F CB 0.022 39.105 39.000 0.139 0.000 0.998 745 F HN 0.405 nan 8.300 nan 0.000 0.471 746 Q N 0.678 120.445 119.800 -0.056 0.000 2.152 746 Q HA -0.268 4.074 4.340 0.003 0.000 0.206 746 Q C 1.875 177.769 176.000 -0.176 0.000 0.985 746 Q CA 2.197 57.855 55.803 -0.242 0.000 0.863 746 Q CB -0.229 28.172 28.738 -0.562 0.000 0.904 746 Q HN 0.503 nan 8.270 nan 0.000 0.422 747 E N 0.220 120.334 120.200 -0.143 0.000 2.077 747 E HA -0.127 4.225 4.350 0.003 0.000 0.193 747 E C 1.838 178.544 176.600 0.176 0.000 0.989 747 E CA 1.524 57.909 56.400 -0.025 0.000 0.800 747 E CB -0.350 29.332 29.700 -0.030 0.000 0.746 747 E HN 0.481 nan 8.360 nan 0.000 0.452 748 A N 0.588 123.503 122.820 0.160 0.000 1.897 748 A HA -0.102 4.219 4.320 0.003 0.000 0.215 748 A C 2.157 179.837 177.584 0.159 0.000 1.181 748 A CA 0.910 53.109 52.037 0.270 0.000 0.620 748 A CB -0.654 18.459 19.000 0.187 0.000 0.821 748 A HN 0.190 nan 8.150 nan 0.000 0.443 749 L N -1.477 119.688 121.223 -0.097 0.000 2.189 749 L HA -0.244 4.098 4.340 0.003 0.000 0.214 749 L C 2.545 179.377 176.870 -0.062 0.000 1.097 749 L CA 1.310 56.041 54.840 -0.181 0.000 0.764 749 L CB -0.523 41.377 42.059 -0.265 0.000 0.900 749 L HN 0.756 nan 8.230 nan 0.000 0.436 750 W N 0.730 121.949 121.300 -0.134 0.000 2.392 750 W HA -0.200 4.461 4.660 0.003 0.000 0.279 750 W C 1.948 178.321 176.519 -0.242 0.000 1.225 750 W CA 1.477 58.710 57.345 -0.188 0.000 1.233 750 W CB -0.134 29.201 29.460 -0.209 0.000 1.122 750 W HN 0.350 nan 8.180 nan 0.000 0.561 751 H N -0.920 118.165 119.070 0.025 0.000 2.548 751 H HA 0.057 4.615 4.556 0.003 0.000 0.265 751 H C 0.638 175.826 175.328 -0.233 0.000 0.969 751 H CA 0.326 56.366 56.048 -0.012 0.000 1.155 751 H CB -0.324 29.562 29.762 0.206 0.000 1.394 751 H HN -0.321 nan 8.280 nan 0.000 0.570 752 V N 4.930 124.605 119.914 -0.398 0.000 2.479 752 V HA 0.054 4.175 4.120 0.003 0.000 0.281 752 V C -1.647 174.146 176.094 -0.502 0.000 1.031 752 V CA -1.454 60.357 62.300 -0.815 0.000 1.038 752 V CB 0.741 31.975 31.823 -0.981 0.000 0.981 752 V HN 0.199 nan 8.190 nan 0.000 0.478 753 P HA 0.131 nan 4.420 nan 0.000 0.273 753 P C -0.063 177.093 177.300 -0.241 0.000 1.250 753 P CA -0.447 62.533 63.100 -0.200 0.000 0.793 753 P CB 0.684 32.371 31.700 -0.023 0.000 1.011 754 E N 0.162 120.218 120.200 -0.240 0.000 2.404 754 E HA -0.040 4.311 4.350 0.003 0.000 0.261 754 E C 0.410 176.851 176.600 -0.266 0.000 1.074 754 E CA 0.218 56.395 56.400 -0.372 0.000 0.917 754 E CB -0.124 29.278 29.700 -0.497 0.000 0.965 754 E HN 0.559 nan 8.360 nan 0.000 0.433 755 H N -2.207 116.816 119.070 -0.077 0.000 3.047 755 H HA -0.197 4.361 4.556 0.003 0.000 0.263 755 H C 0.143 175.456 175.328 -0.026 0.000 1.168 755 H CA 0.779 56.798 56.048 -0.048 0.000 1.152 755 H CB -2.030 27.711 29.762 -0.035 0.000 1.278 755 H HN 0.552 nan 8.280 nan 0.000 0.339 756 A N 0.800 123.634 122.820 0.022 0.000 2.425 756 A HA 0.442 4.764 4.320 0.003 0.000 0.242 756 A C 0.741 178.369 177.584 0.074 0.000 1.077 756 A CA 0.199 52.267 52.037 0.052 0.000 0.781 756 A CB 0.718 19.646 19.000 -0.119 0.000 1.020 756 A HN 0.131 nan 8.150 nan 0.000 0.494 757 V N 3.038 123.035 119.914 0.138 0.000 2.347 757 V HA 0.361 4.482 4.120 0.003 0.000 0.280 757 V C -0.304 175.899 176.094 0.181 0.000 1.021 757 V CA -0.351 62.020 62.300 0.119 0.000 0.847 757 V CB 1.191 33.073 31.823 0.097 0.000 0.990 757 V HN 0.590 nan 8.190 nan 0.000 0.444 758 V N 6.976 126.973 119.914 0.138 0.000 2.384 758 V HA 0.471 4.593 4.120 0.003 0.000 0.287 758 V C -0.153 176.030 176.094 0.149 0.000 1.020 758 V CA -0.488 61.924 62.300 0.187 0.000 0.850 758 V CB 1.617 33.515 31.823 0.124 0.000 0.987 758 V HN 0.628 nan 8.190 nan 0.000 0.436 759 L N 4.046 125.380 121.223 0.186 0.000 2.295 759 L HA 0.538 4.880 4.340 0.003 0.000 0.285 759 L C 0.352 177.271 176.870 0.081 0.000 1.035 759 L CA -0.307 54.580 54.840 0.078 0.000 0.806 759 L CB 1.673 43.718 42.059 -0.022 0.000 1.214 759 L HN 0.640 nan 8.230 nan 0.000 0.426 760 E N 4.138 124.373 120.200 0.059 0.000 2.089 760 E HA 0.209 4.561 4.350 0.003 0.000 0.284 760 E C -0.697 175.928 176.600 0.041 0.000 1.023 760 E CA -0.731 55.712 56.400 0.071 0.000 0.819 760 E CB 0.770 30.509 29.700 0.065 0.000 1.076 760 E HN 0.359 nan 8.360 nan 0.000 0.396 761 I N 4.168 124.758 120.570 0.032 0.000 2.278 761 I HA 0.379 4.550 4.170 0.003 0.000 0.296 761 I C 0.096 176.239 176.117 0.044 0.000 1.121 761 I CA 0.027 61.333 61.300 0.010 0.000 1.267 761 I CB -0.502 37.481 38.000 -0.028 0.000 1.447 761 I HN 0.458 nan 8.210 nan 0.000 0.509 762 A N 8.852 131.710 122.820 0.063 0.000 2.599 762 A HA 0.663 4.985 4.320 0.003 0.000 0.294 762 A C -2.391 175.267 177.584 0.123 0.000 1.055 762 A CA -0.677 51.404 52.037 0.072 0.000 0.683 762 A CB 1.408 20.435 19.000 0.045 0.000 1.278 762 A HN 0.306 nan 8.150 nan 0.000 0.412 763 P HA 0.018 nan 4.420 nan 0.000 0.233 763 P C -0.015 177.588 177.300 0.506 0.000 1.167 763 P CA 1.492 64.742 63.100 0.250 0.000 0.770 763 P CB -0.022 31.738 31.700 0.100 0.000 0.837 764 H N -0.525 118.683 119.070 0.229 0.000 3.099 764 H HA 0.559 5.117 4.556 0.003 0.000 0.342 764 H C -1.138 174.229 175.328 0.065 0.000 1.054 764 H CA -0.906 55.217 56.048 0.124 0.000 1.328 764 H CB 0.902 30.723 29.762 0.097 0.000 1.876 764 H HN -0.162 nan 8.280 nan 0.000 0.495 765 A N 5.439 127.991 122.820 -0.447 0.000 3.026 765 A HA 0.157 4.479 4.320 0.003 0.000 0.272 765 A C 1.183 178.453 177.584 -0.524 0.000 1.782 765 A CA -0.207 51.632 52.037 -0.330 0.000 1.451 765 A CB -0.980 17.965 19.000 -0.093 0.000 1.081 765 A HN 0.740 nan 8.150 nan 0.000 0.611 766 L N 2.003 122.948 121.223 -0.464 0.000 2.093 766 L HA -0.021 4.320 4.340 0.003 0.000 0.208 766 L C 1.817 178.602 176.870 -0.142 0.000 1.085 766 L CA 1.720 56.397 54.840 -0.273 0.000 0.755 766 L CB -0.196 41.804 42.059 -0.098 0.000 0.904 766 L HN 0.642 nan 8.230 nan 0.000 0.435 767 L N -0.661 120.491 121.223 -0.120 0.000 2.599 767 L HA -0.027 4.315 4.340 0.003 0.000 0.230 767 L C 2.225 179.107 176.870 0.019 0.000 1.141 767 L CA -0.187 54.623 54.840 -0.050 0.000 0.877 767 L CB -0.569 41.462 42.059 -0.046 0.000 1.009 767 L HN 0.338 nan 8.230 nan 0.000 0.447 768 Q N 0.722 120.516 119.800 -0.010 0.000 2.062 768 Q HA -0.258 4.084 4.340 0.003 0.000 0.209 768 Q C 2.469 178.489 176.000 0.033 0.000 0.996 768 Q CA 2.187 58.002 55.803 0.019 0.000 0.859 768 Q CB -0.367 28.376 28.738 0.008 0.000 0.920 768 Q HN 0.582 nan 8.270 nan 0.000 0.415 769 A N 0.245 123.077 122.820 0.019 0.000 1.898 769 A HA -0.099 4.222 4.320 0.003 0.000 0.216 769 A C 2.486 180.097 177.584 0.046 0.000 1.181 769 A CA 1.433 53.483 52.037 0.022 0.000 0.620 769 A CB -0.670 18.330 19.000 0.000 0.000 0.819 769 A HN 0.211 nan 8.150 nan 0.000 0.442 770 V N 0.103 120.058 119.914 0.069 0.000 2.332 770 V HA -0.265 3.857 4.120 0.003 0.000 0.248 770 V C 2.568 178.752 176.094 0.150 0.000 1.055 770 V CA 1.981 64.356 62.300 0.126 0.000 1.038 770 V CB -0.678 31.246 31.823 0.168 0.000 0.651 770 V HN 0.571 nan 8.190 nan 0.000 0.450 771 L N -0.818 120.494 121.223 0.148 0.000 2.027 771 L HA -0.204 4.138 4.340 0.003 0.000 0.206 771 L C 2.594 179.493 176.870 0.048 0.000 1.074 771 L CA 1.627 56.538 54.840 0.119 0.000 0.745 771 L CB -0.486 41.645 42.059 0.121 0.000 0.898 771 L HN 0.231 nan 8.230 nan 0.000 0.433 772 K N -0.230 120.194 120.400 0.040 0.000 2.032 772 K HA -0.236 4.086 4.320 0.003 0.000 0.209 772 K C 2.170 178.777 176.600 0.012 0.000 1.048 772 K CA 1.385 57.682 56.287 0.016 0.000 0.927 772 K CB -0.184 32.327 32.500 0.018 0.000 0.712 772 K HN -0.014 nan 8.250 nan 0.000 0.441 773 R N -0.001 120.518 120.500 0.032 0.000 2.075 773 R HA -0.037 4.305 4.340 0.003 0.000 0.232 773 R C 1.986 178.310 176.300 0.039 0.000 1.126 773 R CA 2.034 58.157 56.100 0.038 0.000 0.963 773 R CB -0.909 29.424 30.300 0.055 0.000 0.858 773 R HN 0.274 nan 8.270 nan 0.000 0.435 774 G N -0.630 108.194 108.800 0.040 0.000 2.880 774 G HA2 0.156 4.117 3.960 0.003 0.000 0.209 774 G HA3 0.156 4.117 3.960 0.003 0.000 0.209 774 G C 0.221 175.102 174.900 -0.031 0.000 1.157 774 G CA -0.111 45.008 45.100 0.032 0.000 0.779 774 G HN 0.171 nan 8.290 nan 0.000 0.539 775 L N 0.149 121.329 121.223 -0.071 0.000 2.352 775 L HA 0.402 4.744 4.340 0.003 0.000 0.269 775 L C 0.121 176.889 176.870 -0.170 0.000 1.034 775 L CA -1.051 53.698 54.840 -0.151 0.000 0.806 775 L CB 1.670 43.647 42.059 -0.138 0.000 1.244 775 L HN -0.058 nan 8.230 nan 0.000 0.447 776 K N 1.740 121.990 120.400 -0.250 0.000 2.469 776 K HA 0.026 4.348 4.320 0.003 0.000 0.274 776 K C -1.716 174.782 176.600 -0.170 0.000 0.983 776 K CA -1.040 55.099 56.287 -0.247 0.000 0.974 776 K CB 0.266 32.577 32.500 -0.316 0.000 0.913 776 K HN 0.286 nan 8.250 nan 0.000 0.493 777 P HA -0.131 nan 4.420 nan 0.000 0.230 777 P C 0.658 177.912 177.300 -0.078 0.000 1.158 777 P CA 0.949 63.997 63.100 -0.087 0.000 0.769 777 P CB 0.214 31.873 31.700 -0.068 0.000 0.807 778 S N -2.781 112.844 115.700 -0.125 0.000 2.603 778 S HA 0.011 4.483 4.470 0.003 0.000 0.220 778 S C 0.757 175.335 174.600 -0.037 0.000 0.967 778 S CA -0.298 57.850 58.200 -0.085 0.000 0.920 778 S CB -1.345 61.680 63.200 -0.292 0.000 0.773 778 S HN 0.016 nan 8.310 nan 0.000 0.529 779 C N 2.493 121.747 119.300 -0.077 0.000 2.539 779 C HA 0.577 5.038 4.460 0.003 0.000 0.392 779 C C 0.813 175.795 174.990 -0.013 0.000 1.269 779 C CA -0.470 58.516 59.018 -0.053 0.000 2.250 779 C CB 0.390 28.069 27.740 -0.101 0.000 2.584 779 C HN 0.420 nan 8.230 nan 0.000 0.589 780 T N 3.912 118.471 114.554 0.009 0.000 2.758 780 T HA 0.497 4.849 4.350 0.003 0.000 0.285 780 T C -0.301 174.411 174.700 0.021 0.000 0.981 780 T CA 0.048 62.157 62.100 0.016 0.000 0.965 780 T CB 0.299 69.179 68.868 0.020 0.000 0.927 780 T HN 0.397 nan 8.240 nan 0.000 0.448 781 I N 4.454 125.034 120.570 0.018 0.000 2.339 781 I HA 0.467 4.639 4.170 0.003 0.000 0.290 781 I C -0.368 175.760 176.117 0.019 0.000 0.994 781 I CA -0.573 60.744 61.300 0.028 0.000 1.191 781 I CB 1.126 39.144 38.000 0.031 0.000 1.343 781 I HN 0.461 nan 8.210 nan 0.000 0.458 782 I N 8.577 129.158 120.570 0.017 0.000 2.418 782 I HA 0.380 4.552 4.170 0.003 0.000 0.287 782 I C -2.377 173.740 176.117 -0.000 0.000 1.008 782 I CA -1.965 59.322 61.300 -0.021 0.000 1.104 782 I CB 2.053 40.014 38.000 -0.065 0.000 1.264 782 I HN 0.292 nan 8.210 nan 0.000 0.438 783 P HA 0.278 nan 4.420 nan 0.000 0.282 783 P C -0.044 177.343 177.300 0.145 0.000 1.249 783 P CA -0.318 62.861 63.100 0.131 0.000 0.806 783 P CB 2.001 33.864 31.700 0.273 0.000 0.984 784 L N 0.788 122.145 121.223 0.223 0.000 2.642 784 L HA 0.345 4.686 4.340 0.003 0.000 0.233 784 L C 1.095 178.251 176.870 0.476 0.000 1.077 784 L CA 0.598 55.591 54.840 0.254 0.000 0.879 784 L CB 0.142 42.342 42.059 0.234 0.000 1.151 784 L HN 0.351 nan 8.230 nan 0.000 0.495 785 M N -0.504 119.334 119.600 0.397 0.000 2.531 785 M HA 0.372 4.854 4.480 0.003 0.000 0.286 785 M C -1.206 175.066 176.300 -0.046 0.000 1.232 785 M CA -0.414 55.024 55.300 0.230 0.000 0.877 785 M CB 3.555 36.290 32.600 0.225 0.000 1.726 785 M HN -0.239 nan 8.290 nan 0.000 0.463 786 K N 2.083 122.276 120.400 -0.345 0.000 2.427 786 K HA 0.370 4.692 4.320 0.003 0.000 0.252 786 K C -1.171 175.167 176.600 -0.437 0.000 0.931 786 K CA -0.660 55.412 56.287 -0.359 0.000 0.793 786 K CB 2.318 34.317 32.500 -0.836 0.000 1.211 786 K HN 0.720 nan 8.250 nan 0.000 0.426 787 K N 3.249 123.268 120.400 -0.635 0.000 2.491 787 K HA -0.119 4.202 4.320 0.003 0.000 0.279 787 K C -0.580 175.225 176.600 -1.325 0.000 1.026 787 K CA 0.938 56.196 56.287 -1.714 0.000 1.070 787 K CB 0.217 31.778 32.500 -1.565 0.000 0.887 787 K HN 0.643 nan 8.250 nan 0.000 0.481 788 D N 1.165 120.507 120.400 -1.764 0.000 3.077 788 D HA -0.238 4.404 4.640 0.003 0.000 0.217 788 D C -0.181 175.896 176.300 -0.372 0.000 1.162 788 D CA 0.938 54.504 54.000 -0.724 0.000 0.943 788 D CB -1.244 39.304 40.800 -0.419 0.000 1.122 788 D HN 0.704 nan 8.370 nan 0.000 0.413 789 H N 0.820 119.620 119.070 -0.450 0.000 2.871 789 H HA 0.071 4.629 4.556 0.003 0.000 0.355 789 H C 1.505 176.792 175.328 -0.067 0.000 1.092 789 H CA 0.743 56.655 56.048 -0.227 0.000 1.420 789 H CB 0.833 30.448 29.762 -0.245 0.000 1.400 789 H HN -0.069 nan 8.280 nan 0.000 0.604 790 R N 1.685 122.042 120.500 -0.238 0.000 2.105 790 R HA -0.058 4.284 4.340 0.003 0.000 0.239 790 R C 0.177 176.600 176.300 0.205 0.000 1.135 790 R CA 1.442 57.530 56.100 -0.020 0.000 0.967 790 R CB 0.102 30.340 30.300 -0.105 0.000 0.861 790 R HN 0.459 nan 8.270 nan 0.000 0.442 791 D N -0.896 119.821 120.400 0.529 0.000 2.337 791 D HA 0.151 4.793 4.640 0.003 0.000 0.238 791 D C -0.433 176.033 176.300 0.277 0.000 1.331 791 D CA -0.293 53.921 54.000 0.356 0.000 0.967 791 D CB 0.014 40.965 40.800 0.252 0.000 1.382 791 D HN -0.171 nan 8.370 nan 0.000 0.549 792 N N 1.851 120.648 118.700 0.163 0.000 2.443 792 N HA -0.111 4.630 4.740 0.003 0.000 0.184 792 N C 1.671 177.236 175.510 0.091 0.000 1.037 792 N CA 0.254 53.327 53.050 0.038 0.000 0.896 792 N CB 0.244 38.785 38.487 0.091 0.000 0.959 792 N HN 0.430 nan 8.380 nan 0.000 0.442 793 L N 1.736 123.008 121.223 0.082 0.000 2.056 793 L HA -0.088 4.254 4.340 0.003 0.000 0.207 793 L C 1.820 178.802 176.870 0.187 0.000 1.078 793 L CA 1.711 56.612 54.840 0.101 0.000 0.749 793 L CB -0.514 41.596 42.059 0.085 0.000 0.901 793 L HN 0.081 nan 8.230 nan 0.000 0.433 794 E N -1.385 118.915 120.200 0.168 0.000 2.072 794 E HA -0.239 4.113 4.350 0.003 0.000 0.191 794 E C 2.051 178.721 176.600 0.116 0.000 0.985 794 E CA 1.336 57.834 56.400 0.162 0.000 0.801 794 E CB -0.299 29.520 29.700 0.198 0.000 0.750 794 E HN 0.502 nan 8.360 nan 0.000 0.452 795 F N 0.563 120.439 119.950 -0.122 0.000 2.171 795 F HA -0.186 4.343 4.527 0.003 0.000 0.300 795 F C 1.968 177.726 175.800 -0.071 0.000 1.090 795 F CA 1.167 59.046 58.000 -0.202 0.000 1.293 795 F CB -0.134 38.537 39.000 -0.547 0.000 1.013 795 F HN -0.018 nan 8.300 nan 0.000 0.486 796 F N 0.420 120.367 119.950 -0.005 0.000 2.146 796 F HA -0.141 4.388 4.527 0.003 0.000 0.298 796 F C 1.844 177.564 175.800 -0.133 0.000 1.096 796 F CA 1.617 59.576 58.000 -0.067 0.000 1.275 796 F CB -0.534 38.433 39.000 -0.055 0.000 1.008 796 F HN -0.091 nan 8.300 nan 0.000 0.480 797 L N 0.101 121.314 121.223 -0.017 0.000 2.083 797 L HA -0.179 4.163 4.340 0.003 0.000 0.209 797 L C 2.776 179.462 176.870 -0.305 0.000 1.083 797 L CA 1.099 55.868 54.840 -0.119 0.000 0.752 797 L CB -1.157 40.958 42.059 0.093 0.000 0.899 797 L HN 0.273 nan 8.230 nan 0.000 0.433 798 A N 0.162 122.807 122.820 -0.292 0.000 2.015 798 A HA -0.070 4.252 4.320 0.003 0.000 0.219 798 A C 2.376 179.604 177.584 -0.593 0.000 1.163 798 A CA 1.493 53.288 52.037 -0.403 0.000 0.646 798 A CB -0.962 17.911 19.000 -0.212 0.000 0.806 798 A HN 0.439 nan 8.150 nan 0.000 0.448 799 G N -0.013 108.434 108.800 -0.588 0.000 2.403 799 G HA2 -0.081 3.881 3.960 0.003 0.000 0.216 799 G HA3 -0.081 3.881 3.960 0.003 0.000 0.216 799 G C 1.309 175.900 174.900 -0.515 0.000 1.154 799 G CA 0.990 45.766 45.100 -0.539 0.000 0.784 799 G HN 0.351 nan 8.290 nan 0.000 0.538 800 I N 2.075 122.286 120.570 -0.598 0.000 2.394 800 I HA -0.046 4.125 4.170 0.003 0.000 0.251 800 I C 2.950 178.834 176.117 -0.388 0.000 1.136 800 I CA 0.995 62.017 61.300 -0.464 0.000 1.425 800 I CB -1.511 36.221 38.000 -0.447 0.000 1.079 800 I HN 0.203 nan 8.210 nan 0.000 0.425 801 G N 0.973 109.402 108.800 -0.619 0.000 2.421 801 G HA2 -0.223 3.739 3.960 0.003 0.000 0.216 801 G HA3 -0.223 3.739 3.960 0.003 0.000 0.216 801 G C 1.832 176.394 174.900 -0.563 0.000 1.171 801 G CA 0.191 44.755 45.100 -0.893 0.000 0.775 801 G HN 0.274 nan 8.290 nan 0.000 0.543 802 R N -0.551 119.625 120.500 -0.541 0.000 2.120 802 R HA 0.001 4.343 4.340 0.003 0.000 0.234 802 R C 2.412 178.651 176.300 -0.102 0.000 1.123 802 R CA 0.766 56.757 56.100 -0.182 0.000 0.975 802 R CB -0.579 29.616 30.300 -0.175 0.000 0.866 802 R HN 0.373 nan 8.270 nan 0.000 0.446 803 L N 0.246 121.387 121.223 -0.136 0.000 2.056 803 L HA -0.155 4.187 4.340 0.003 0.000 0.207 803 L C 2.292 179.159 176.870 -0.004 0.000 1.078 803 L CA 1.955 56.755 54.840 -0.065 0.000 0.749 803 L CB -0.877 41.128 42.059 -0.091 0.000 0.901 803 L HN 0.147 nan 8.230 nan 0.000 0.433 804 H N -0.558 118.456 119.070 -0.093 0.000 2.319 804 H HA -0.158 4.400 4.556 0.003 0.000 0.299 804 H C 2.099 177.426 175.328 -0.002 0.000 1.092 804 H CA 2.264 58.290 56.048 -0.037 0.000 1.302 804 H CB -0.299 29.448 29.762 -0.025 0.000 1.373 804 H HN 0.348 nan 8.280 nan 0.000 0.497 805 L N 0.056 121.264 121.223 -0.025 0.000 2.187 805 L HA -0.152 4.189 4.340 0.003 0.000 0.213 805 L C 2.369 179.182 176.870 -0.095 0.000 1.100 805 L CA 1.494 56.301 54.840 -0.055 0.000 0.765 805 L CB -0.663 41.444 42.059 0.079 0.000 0.904 805 L HN 0.446 nan 8.230 nan 0.000 0.437 806 S N -0.620 115.036 115.700 -0.073 0.000 2.603 806 S HA 0.118 4.590 4.470 0.003 0.000 0.220 806 S C 1.474 176.025 174.600 -0.081 0.000 0.967 806 S CA 0.439 58.603 58.200 -0.059 0.000 0.920 806 S CB 0.270 63.456 63.200 -0.024 0.000 0.773 806 S HN 0.578 nan 8.310 nan 0.000 0.529 807 G N 0.621 109.344 108.800 -0.129 0.000 2.141 807 G HA2 -0.198 3.764 3.960 0.003 0.000 0.242 807 G HA3 -0.198 3.764 3.960 0.003 0.000 0.242 807 G C -0.061 174.800 174.900 -0.065 0.000 0.982 807 G CA 0.155 45.182 45.100 -0.122 0.000 0.662 807 G HN 0.578 nan 8.290 nan 0.000 0.527 808 I N 0.962 121.510 120.570 -0.036 0.000 2.428 808 I HA 0.350 4.522 4.170 0.003 0.000 0.296 808 I C -0.635 175.510 176.117 0.047 0.000 0.985 808 I CA -0.793 60.512 61.300 0.009 0.000 1.260 808 I CB 1.283 39.298 38.000 0.024 0.000 1.389 808 I HN -0.104 nan 8.210 nan 0.000 0.484 809 D N 5.634 126.067 120.400 0.055 0.000 2.274 809 D HA 0.561 5.202 4.640 0.003 0.000 0.239 809 D C -0.520 175.820 176.300 0.066 0.000 1.104 809 D CA 0.007 54.059 54.000 0.086 0.000 0.840 809 D CB 1.812 42.652 40.800 0.067 0.000 1.100 809 D HN 0.581 nan 8.370 nan 0.000 0.477 810 A N 2.918 125.778 122.820 0.067 0.000 2.530 810 A HA 0.249 4.570 4.320 0.003 0.000 0.279 810 A C -0.578 177.014 177.584 0.013 0.000 1.109 810 A CA -0.870 51.187 52.037 0.034 0.000 0.763 810 A CB 0.671 19.680 19.000 0.015 0.000 1.257 810 A HN 0.305 nan 8.150 nan 0.000 0.424 811 N N 4.296 123.008 118.700 0.021 0.000 2.401 811 N HA 0.238 4.980 4.740 0.003 0.000 0.255 811 N C -1.529 174.005 175.510 0.040 0.000 1.110 811 N CA -1.918 51.141 53.050 0.016 0.000 0.949 811 N CB 1.367 39.870 38.487 0.025 0.000 1.110 811 N HN 0.354 nan 8.380 nan 0.000 0.490 812 P HA -0.038 nan 4.420 nan 0.000 0.230 812 P C 0.498 177.927 177.300 0.215 0.000 1.158 812 P CA 0.548 63.723 63.100 0.126 0.000 0.769 812 P CB 0.542 32.327 31.700 0.141 0.000 0.807 813 N N 1.200 119.994 118.700 0.156 0.000 2.149 813 N HA -0.129 4.613 4.740 0.003 0.000 0.188 813 N C 1.849 177.456 175.510 0.162 0.000 1.019 813 N CA 1.612 54.771 53.050 0.183 0.000 0.857 813 N CB -1.023 37.534 38.487 0.117 0.000 0.997 813 N HN 0.118 nan 8.380 nan 0.000 0.426 814 A N 0.380 123.256 122.820 0.093 0.000 2.178 814 A HA -0.033 4.289 4.320 0.003 0.000 0.218 814 A C 2.116 179.694 177.584 -0.011 0.000 1.157 814 A CA 0.730 52.795 52.037 0.046 0.000 0.689 814 A CB -0.543 18.479 19.000 0.036 0.000 0.787 814 A HN 0.258 nan 8.150 nan 0.000 0.465 815 L N -2.158 119.026 121.223 -0.065 0.000 2.341 815 L HA 0.139 4.481 4.340 0.003 0.000 0.214 815 L C 0.130 176.656 176.870 -0.574 0.000 1.115 815 L CA 0.086 54.723 54.840 -0.338 0.000 0.820 815 L CB -0.125 41.624 42.059 -0.517 0.000 0.944 815 L HN 0.311 nan 8.230 nan 0.000 0.452 816 F N -1.071 118.871 119.950 -0.013 0.000 2.575 816 F HA 0.475 5.004 4.527 0.003 0.000 0.330 816 F C -2.018 173.701 175.800 -0.135 0.000 1.056 816 F CA -2.964 54.992 58.000 -0.072 0.000 0.964 816 F CB -0.060 38.908 39.000 -0.052 0.000 1.258 816 F HN -0.389 nan 8.300 nan 0.000 0.484 817 P HA 0.104 nan 4.420 nan 0.000 0.265 817 P C -2.529 174.714 177.300 -0.094 0.000 1.193 817 P CA -0.662 62.337 63.100 -0.169 0.000 0.765 817 P CB -0.284 31.159 31.700 -0.428 0.000 0.823 818 P HA 0.005 nan 4.420 nan 0.000 0.267 818 P C -0.400 176.862 177.300 -0.063 0.000 1.205 818 P CA 0.113 63.208 63.100 -0.009 0.000 0.765 818 P CB 0.250 31.958 31.700 0.014 0.000 0.828 819 V N 3.389 123.242 119.914 -0.101 0.000 2.715 819 V HA 0.007 4.129 4.120 0.003 0.000 0.299 819 V C 0.965 176.801 176.094 -0.431 0.000 1.054 819 V CA 0.137 62.268 62.300 -0.281 0.000 1.077 819 V CB 0.322 31.902 31.823 -0.406 0.000 0.972 819 V HN 0.524 nan 8.190 nan 0.000 0.484 820 E N 2.383 122.350 120.200 -0.388 0.000 2.313 820 E HA 0.457 4.809 4.350 0.003 0.000 0.276 820 E C -1.140 175.159 176.600 -0.503 0.000 1.031 820 E CA 0.028 56.251 56.400 -0.296 0.000 0.857 820 E CB 0.685 30.297 29.700 -0.146 0.000 1.040 820 E HN 0.400 nan 8.360 nan 0.000 0.408 821 F N 3.488 123.432 119.950 -0.010 0.000 2.522 821 F HA 0.431 4.960 4.527 0.003 0.000 0.324 821 F C -1.675 174.112 175.800 -0.021 0.000 1.077 821 F CA -2.194 55.794 58.000 -0.020 0.000 0.944 821 F CB 1.144 40.131 39.000 -0.021 0.000 1.175 821 F HN 0.372 nan 8.300 nan 0.000 0.468 822 P HA 0.351 nan 4.420 nan 0.000 0.274 822 P C -0.842 176.558 177.300 0.166 0.000 1.231 822 P CA -0.428 62.805 63.100 0.222 0.000 0.790 822 P CB 0.792 32.541 31.700 0.083 0.000 0.951 823 A N 3.962 126.946 122.820 0.274 0.000 2.492 823 A HA 0.297 4.619 4.320 0.003 0.000 0.236 823 A C -2.035 175.542 177.584 -0.012 0.000 1.078 823 A CA -0.746 51.353 52.037 0.104 0.000 0.773 823 A CB -1.536 17.562 19.000 0.163 0.000 1.023 823 A HN 0.434 nan 8.150 nan 0.000 0.504 824 P HA 0.137 nan 4.420 nan 0.000 0.272 824 P C -0.052 177.195 177.300 -0.088 0.000 1.223 824 P CA -0.280 62.779 63.100 -0.069 0.000 0.784 824 P CB 0.411 32.065 31.700 -0.076 0.000 0.923 825 R N 1.701 122.145 120.500 -0.092 0.000 2.623 825 R HA 0.253 4.595 4.340 0.003 0.000 0.271 825 R C 1.107 177.320 176.300 -0.145 0.000 1.043 825 R CA 1.231 57.263 56.100 -0.114 0.000 1.083 825 R CB -0.757 29.482 30.300 -0.102 0.000 0.974 825 R HN 0.817 nan 8.270 nan 0.000 0.436 826 G N 2.123 110.811 108.800 -0.187 0.000 2.217 826 G HA2 -0.268 3.694 3.960 0.003 0.000 0.246 826 G HA3 -0.268 3.694 3.960 0.003 0.000 0.246 826 G C 0.124 174.874 174.900 -0.251 0.000 0.990 826 G CA 0.306 45.259 45.100 -0.245 0.000 0.627 826 G HN 0.687 nan 8.290 nan 0.000 0.522 827 T N 3.894 118.330 114.554 -0.196 0.000 2.866 827 T HA 0.391 4.742 4.350 0.003 0.000 0.293 827 T C -1.719 172.820 174.700 -0.269 0.000 1.005 827 T CA 0.243 62.225 62.100 -0.195 0.000 1.162 827 T CB 0.950 69.777 68.868 -0.069 0.000 0.968 827 T HN 0.210 nan 8.240 nan 0.000 0.530 828 P HA 0.061 nan 4.420 nan 0.000 0.266 828 P C 0.063 177.255 177.300 -0.180 0.000 1.193 828 P CA -0.165 62.602 63.100 -0.554 0.000 0.770 828 P CB 0.340 31.261 31.700 -1.299 0.000 0.836 829 L N 2.903 124.092 121.223 -0.057 0.000 2.483 829 L HA 0.088 4.429 4.340 0.003 0.000 0.276 829 L C 1.694 178.682 176.870 0.197 0.000 1.213 829 L CA 0.268 55.174 54.840 0.111 0.000 0.843 829 L CB -0.042 42.092 42.059 0.126 0.000 1.107 829 L HN 0.431 nan 8.230 nan 0.000 0.487 830 I N 0.115 120.817 120.570 0.219 0.000 3.445 830 I HA -0.128 4.044 4.170 0.003 0.000 0.288 830 I C 2.368 178.588 176.117 0.172 0.000 1.198 830 I CA 0.757 62.187 61.300 0.215 0.000 1.417 830 I CB 0.274 38.368 38.000 0.156 0.000 1.205 830 I HN 0.879 nan 8.210 nan 0.000 0.448 831 S N 2.121 117.927 115.700 0.177 0.000 2.380 831 S HA -0.114 4.358 4.470 0.003 0.000 0.229 831 S C -0.584 174.126 174.600 0.184 0.000 1.043 831 S CA 1.216 59.528 58.200 0.187 0.000 1.038 831 S CB -2.037 61.279 63.200 0.194 0.000 0.872 831 S HN 0.234 nan 8.310 nan 0.000 0.456 832 P HA 0.142 nan 4.420 nan 0.000 0.230 832 P C 1.018 178.401 177.300 0.139 0.000 1.158 832 P CA 0.624 63.824 63.100 0.165 0.000 0.769 832 P CB -0.177 31.622 31.700 0.165 0.000 0.807 833 L N -1.607 119.693 121.223 0.128 0.000 2.558 833 L HA 0.090 4.432 4.340 0.003 0.000 0.225 833 L C 0.677 177.559 176.870 0.020 0.000 1.128 833 L CA -0.093 54.802 54.840 0.092 0.000 0.868 833 L CB -0.274 41.859 42.059 0.125 0.000 1.006 833 L HN -0.080 nan 8.230 nan 0.000 0.454 834 I N 1.703 122.281 120.570 0.013 0.000 2.396 834 I HA 0.143 4.315 4.170 0.003 0.000 0.289 834 I C 0.227 176.192 176.117 -0.253 0.000 1.056 834 I CA 0.325 61.541 61.300 -0.140 0.000 1.365 834 I CB 0.490 38.447 38.000 -0.073 0.000 1.407 834 I HN 0.013 nan 8.210 nan 0.000 0.509 835 K N 5.487 125.628 120.400 -0.432 0.000 2.259 835 K HA 0.517 4.839 4.320 0.003 0.000 0.249 835 K C -1.002 175.177 176.600 -0.700 0.000 0.942 835 K CA -0.509 55.547 56.287 -0.384 0.000 0.816 835 K CB 2.472 34.853 32.500 -0.198 0.000 1.155 835 K HN 0.415 nan 8.250 nan 0.000 0.428 836 W N -0.090 120.991 121.300 -0.366 0.000 2.894 836 W HA 0.216 4.877 4.660 0.003 0.000 0.345 836 W C 0.142 176.424 176.519 -0.395 0.000 1.152 836 W CA -0.531 56.530 57.345 -0.473 0.000 1.089 836 W CB 0.649 29.673 29.460 -0.727 0.000 1.454 836 W HN 0.420 nan 8.180 nan 0.000 0.589 837 D N 0.718 121.139 120.400 0.036 0.000 2.435 837 D HA 0.060 4.702 4.640 0.003 0.000 0.230 837 D C -0.287 176.137 176.300 0.205 0.000 1.215 837 D CA 0.298 54.342 54.000 0.072 0.000 0.947 837 D CB -0.152 40.707 40.800 0.099 0.000 1.048 837 D HN 0.483 nan 8.370 nan 0.000 0.512 838 H N 1.296 120.456 119.070 0.150 0.000 2.524 838 H HA 0.090 4.648 4.556 0.003 0.000 0.297 838 H C 1.612 176.987 175.328 0.077 0.000 1.115 838 H CA -0.239 55.895 56.048 0.144 0.000 1.027 838 H CB 0.725 30.582 29.762 0.160 0.000 1.591 838 H HN 0.333 nan 8.280 nan 0.000 0.543 839 S N -0.006 115.789 115.700 0.159 0.000 2.387 839 S HA -0.019 4.453 4.470 0.003 0.000 0.226 839 S C 0.901 175.488 174.600 -0.022 0.000 1.026 839 S CA 0.149 58.384 58.200 0.059 0.000 0.972 839 S CB 0.073 63.294 63.200 0.036 0.000 0.814 839 S HN 0.227 nan 8.310 nan 0.000 0.477 840 L N 1.718 122.892 121.223 -0.082 0.000 2.453 840 L HA 0.586 4.928 4.340 0.003 0.000 0.261 840 L C 0.281 176.901 176.870 -0.416 0.000 1.179 840 L CA -0.514 54.124 54.840 -0.336 0.000 0.813 840 L CB 0.712 42.389 42.059 -0.635 0.000 1.110 840 L HN 0.308 nan 8.230 nan 0.000 0.466 841 A N 2.019 124.558 122.820 -0.469 0.000 2.291 841 A HA 0.545 4.866 4.320 0.003 0.000 0.311 841 A C -1.425 175.943 177.584 -0.361 0.000 1.224 841 A CA -0.477 51.383 52.037 -0.294 0.000 0.821 841 A CB 0.271 19.204 19.000 -0.113 0.000 1.172 841 A HN 0.635 nan 8.150 nan 0.000 0.494 842 W N 1.047 122.383 121.300 0.059 0.000 2.359 842 W HA 0.415 5.077 4.660 0.003 0.000 0.344 842 W C -0.222 176.415 176.519 0.196 0.000 1.170 842 W CA -0.293 57.088 57.345 0.060 0.000 1.296 842 W CB 0.640 30.058 29.460 -0.070 0.000 1.197 842 W HN 0.566 nan 8.180 nan 0.000 0.618 843 D N 0.862 121.683 120.400 0.701 0.000 2.472 843 D HA 0.185 4.827 4.640 0.003 0.000 0.237 843 D C -0.498 175.942 176.300 0.232 0.000 1.141 843 D CA 0.518 54.741 54.000 0.372 0.000 0.875 843 D CB 0.735 41.728 40.800 0.321 0.000 1.192 843 D HN -0.049 nan 8.370 nan 0.000 0.450 844 V N 3.593 123.595 119.914 0.147 0.000 2.686 844 V HA 0.308 4.429 4.120 0.003 0.000 0.306 844 V C -2.158 173.990 176.094 0.091 0.000 1.065 844 V CA -1.536 60.830 62.300 0.111 0.000 0.894 844 V CB 1.992 33.873 31.823 0.097 0.000 1.004 844 V HN 0.452 nan 8.190 nan 0.000 0.424 845 P HA 0.437 nan 4.420 nan 0.000 0.269 845 P C -0.551 176.811 177.300 0.103 0.000 1.209 845 P CA 0.060 63.191 63.100 0.052 0.000 0.776 845 P CB 0.623 32.362 31.700 0.064 0.000 0.876 846 A N 1.750 124.595 122.820 0.041 0.000 2.294 846 A HA 0.601 4.922 4.320 0.003 0.000 0.330 846 A C 1.445 179.142 177.584 0.189 0.000 1.133 846 A CA -0.004 52.098 52.037 0.108 0.000 0.836 846 A CB 0.702 19.735 19.000 0.056 0.000 1.190 846 A HN 0.520 nan 8.150 nan 0.000 0.492 847 A N 0.347 123.342 122.820 0.291 0.000 1.948 847 A HA -0.197 4.125 4.320 0.003 0.000 0.220 847 A C 1.661 179.419 177.584 0.289 0.000 1.177 847 A CA 2.035 54.311 52.037 0.398 0.000 0.636 847 A CB -0.812 18.407 19.000 0.364 0.000 0.815 847 A HN 0.965 nan 8.150 nan 0.000 0.449 848 E N -0.572 119.711 120.200 0.138 0.000 2.478 848 E HA -0.140 4.212 4.350 0.003 0.000 0.198 848 E C 0.199 176.783 176.600 -0.027 0.000 1.046 848 E CA 0.898 57.339 56.400 0.069 0.000 0.870 848 E CB -0.282 29.443 29.700 0.041 0.000 0.818 848 E HN 0.457 nan 8.360 nan 0.000 0.527 849 D N 0.138 120.436 120.400 -0.170 0.000 2.363 849 D HA 0.061 4.703 4.640 0.003 0.000 0.226 849 D C -0.434 175.520 176.300 -0.577 0.000 1.020 849 D CA 0.458 54.221 54.000 -0.394 0.000 0.892 849 D CB -0.008 40.477 40.800 -0.525 0.000 0.900 849 D HN 0.133 nan 8.370 nan 0.000 0.531 850 F N 0.352 120.321 119.950 0.032 0.000 2.483 850 F HA 0.399 4.928 4.527 0.003 0.000 0.329 850 F C -1.749 174.056 175.800 0.009 0.000 1.064 850 F CA -2.857 55.154 58.000 0.017 0.000 0.986 850 F CB 0.193 39.203 39.000 0.016 0.000 1.218 850 F HN -0.344 nan 8.300 nan 0.000 0.484 851 P HA 0.119 nan 4.420 nan 0.000 0.266 851 P C -1.134 176.209 177.300 0.071 0.000 1.195 851 P CA -0.186 62.964 63.100 0.083 0.000 0.768 851 P CB 0.293 32.022 31.700 0.049 0.000 0.838 852 N N 0.000 118.729 118.700 0.048 0.000 1.763 852 N HA 0.000 4.742 4.740 0.003 0.000 0.220 852 N CA 0.000 53.074 53.050 0.040 0.000 0.885 852 N CB 0.000 38.569 38.487 0.137 0.000 1.341 852 N HN 0.000 nan 8.380 nan 0.000 0.667