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 2r8o_1_B DATA FIRST_RESID 2 DATA SEQUENCE SSRKELANAI RALSMDAVQK AKSGHPGAPM GMADIAEVLW RDFLKHNPQN DATA SEQUENCE PSWADRDRFV LSNGHGSMLI YSLLHLTGYD LPMEELKNFR QLHSKTPGHP DATA SEQUENCE EVGYTAGVET TTGPLGQGIA NAVGMAIAEK TLAAQFNRPG HDIVDHYTYA DATA SEQUENCE FMGDGCMMEG ISHEVCSLAG TLKLGKLIAF YDDNGISIDG HVEGWFTDDT DATA SEQUENCE AMRFEAYGWH VIRDIDGHDA ASIKRAVEEA RAVTDKPSLL MCKTIIGFGS DATA SEQUENCE PNKAGTHDSH GAPLGDAEIA LTREQLGWKY APFEIPSEIY AQWDAKEAGQ DATA SEQUENCE AKESAWNEKF AAYAKAYPQE AAEFTRRMKG EMPSDFDAKA KEFIAKLQAN DATA SEQUENCE PAKIASRKAS QNAIEAFGPL LPEFLGGSAD LAPSNLTLWS GSKAINEDAA DATA SEQUENCE GNYIHYGVRE FGMTAIANGI SLHGGFLPYT STFLMFVEYA RNAVRMAALM DATA SEQUENCE KQRQVMVYTH DSIGLGEDGP THQPVEQVAS LRVTPNMSTW RPCDQVESAV DATA SEQUENCE AWKYGVERQD GPTALILSRQ NLAQQERTEE QLANIARGGY VLKDCAGQPE DATA SEQUENCE LIFIATGSEV ELAVAAYEKL TAEGVKARVV SMPSTDAFDK QDAAYRESVL DATA SEQUENCE PKAVTARVAV EAGIADYWYK YVGLNGAIVG MTTFGESAPA ELLFEEFGFT DATA SEQUENCE VDNVVAKAKE LLHHHHH 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.612 174.600 0.020 0.000 1.055 2 S CA 0.000 58.222 58.200 0.037 0.000 1.107 2 S CB 0.000 63.240 63.200 0.066 0.000 0.593 3 S N 1.198 116.920 115.700 0.037 0.000 2.600 3 S HA 0.352 4.808 4.470 -0.025 0.000 0.265 3 S C 1.105 175.714 174.600 0.014 0.000 1.325 3 S CA -0.618 57.597 58.200 0.025 0.000 1.002 3 S CB 0.464 63.688 63.200 0.041 0.000 0.921 3 S HN 0.725 nan 8.310 nan 0.000 0.554 4 R N 1.122 121.618 120.500 -0.007 0.000 2.105 4 R HA -0.095 4.231 4.340 -0.025 0.000 0.239 4 R C 2.214 178.521 176.300 0.012 0.000 1.135 4 R CA 1.652 57.734 56.100 -0.030 0.000 0.967 4 R CB -0.442 29.837 30.300 -0.034 0.000 0.861 4 R HN 0.690 nan 8.270 nan 0.000 0.442 5 K N 0.875 121.299 120.400 0.041 0.000 2.057 5 K HA -0.166 4.140 4.320 -0.025 0.000 0.207 5 K C 2.024 178.699 176.600 0.125 0.000 1.049 5 K CA 1.454 57.783 56.287 0.070 0.000 0.931 5 K CB -0.045 32.504 32.500 0.082 0.000 0.714 5 K HN 0.300 nan 8.250 nan 0.000 0.440 6 E N 0.851 121.143 120.200 0.154 0.000 2.077 6 E HA -0.175 4.160 4.350 -0.025 0.000 0.193 6 E C 2.081 178.873 176.600 0.320 0.000 0.989 6 E CA 0.981 57.539 56.400 0.264 0.000 0.800 6 E CB -0.103 29.734 29.700 0.228 0.000 0.746 6 E HN 0.241 nan 8.360 nan 0.000 0.452 7 L N 0.470 121.816 121.223 0.206 0.000 2.056 7 L HA -0.153 4.172 4.340 -0.025 0.000 0.207 7 L C 2.604 179.720 176.870 0.410 0.000 1.078 7 L CA 0.941 55.938 54.840 0.262 0.000 0.749 7 L CB -0.479 41.496 42.059 -0.140 0.000 0.901 7 L HN 0.138 nan 8.230 nan 0.000 0.433 8 A N 0.211 123.160 122.820 0.216 0.000 1.933 8 A HA -0.192 4.113 4.320 -0.025 0.000 0.218 8 A C 1.983 179.597 177.584 0.049 0.000 1.175 8 A CA 1.693 53.833 52.037 0.173 0.000 0.628 8 A CB -0.531 18.509 19.000 0.066 0.000 0.814 8 A HN 0.422 nan 8.150 nan 0.000 0.444 9 N N 0.593 119.312 118.700 0.031 0.000 2.364 9 N HA -0.079 4.646 4.740 -0.025 0.000 0.183 9 N C 1.733 176.862 175.510 -0.635 0.000 1.022 9 N CA 1.241 54.197 53.050 -0.156 0.000 0.883 9 N CB -0.505 38.016 38.487 0.056 0.000 0.965 9 N HN 0.496 nan 8.380 nan 0.000 0.438 10 A N 1.103 123.620 122.820 -0.506 0.000 1.908 10 A HA -0.103 4.202 4.320 -0.025 0.000 0.218 10 A C 2.264 179.529 177.584 -0.532 0.000 1.181 10 A CA 0.941 52.573 52.037 -0.675 0.000 0.627 10 A CB -0.614 18.332 19.000 -0.090 0.000 0.818 10 A HN 0.234 nan 8.150 nan 0.000 0.445 11 I N -0.891 119.464 120.570 -0.359 0.000 2.226 11 I HA -0.278 3.877 4.170 -0.025 0.000 0.245 11 I C 2.764 178.685 176.117 -0.327 0.000 1.100 11 I CA 1.404 62.500 61.300 -0.340 0.000 1.374 11 I CB -0.376 37.472 38.000 -0.254 0.000 1.057 11 I HN 0.295 nan 8.210 nan 0.000 0.413 12 R N 0.840 121.151 120.500 -0.314 0.000 2.081 12 R HA -0.141 4.184 4.340 -0.025 0.000 0.235 12 R C 2.465 178.550 176.300 -0.359 0.000 1.131 12 R CA 1.550 57.488 56.100 -0.270 0.000 0.960 12 R CB -0.536 29.653 30.300 -0.185 0.000 0.856 12 R HN 0.380 nan 8.270 nan 0.000 0.436 13 A N 1.429 123.898 122.820 -0.585 0.000 1.855 13 A HA -0.107 4.198 4.320 -0.025 0.000 0.215 13 A C 2.236 179.558 177.584 -0.435 0.000 1.191 13 A CA 1.074 52.751 52.037 -0.601 0.000 0.613 13 A CB -0.595 17.741 19.000 -1.107 0.000 0.829 13 A HN 0.158 nan 8.150 nan 0.000 0.442 14 L N -0.272 120.698 121.223 -0.421 0.000 2.079 14 L HA -0.184 4.141 4.340 -0.025 0.000 0.210 14 L C 2.862 179.537 176.870 -0.325 0.000 1.081 14 L CA 1.477 56.105 54.840 -0.352 0.000 0.752 14 L CB -0.432 41.464 42.059 -0.272 0.000 0.896 14 L HN 0.344 nan 8.230 nan 0.000 0.433 15 S N 0.271 115.789 115.700 -0.303 0.000 2.345 15 S HA -0.179 4.276 4.470 -0.025 0.000 0.220 15 S C 1.961 176.422 174.600 -0.232 0.000 1.031 15 S CA 1.792 59.826 58.200 -0.276 0.000 0.996 15 S CB -0.254 62.806 63.200 -0.234 0.000 0.882 15 S HN 0.502 nan 8.310 nan 0.000 0.445 16 M N 1.334 120.810 119.600 -0.207 0.000 2.159 16 M HA -0.078 4.387 4.480 -0.025 0.000 0.263 16 M C 0.965 177.173 176.300 -0.154 0.000 1.063 16 M CA 1.689 56.898 55.300 -0.151 0.000 1.110 16 M CB -0.674 31.849 32.600 -0.129 0.000 1.374 16 M HN -0.041 nan 8.290 nan 0.000 0.411 17 D N 1.421 121.672 120.400 -0.249 0.000 2.123 17 D HA 0.012 4.637 4.640 -0.025 0.000 0.200 17 D C 2.331 178.512 176.300 -0.198 0.000 0.976 17 D CA 1.830 55.639 54.000 -0.320 0.000 0.831 17 D CB -0.194 40.219 40.800 -0.646 0.000 0.974 17 D HN 0.551 nan 8.370 nan 0.000 0.469 18 A N 0.681 123.403 122.820 -0.164 0.000 1.898 18 A HA -0.105 4.200 4.320 -0.025 0.000 0.216 18 A C 2.514 180.204 177.584 0.177 0.000 1.181 18 A CA 0.988 53.097 52.037 0.121 0.000 0.620 18 A CB -0.697 18.268 19.000 -0.059 0.000 0.819 18 A HN 0.126 nan 8.150 nan 0.000 0.442 19 V N -0.192 119.750 119.914 0.046 0.000 2.343 19 V HA -0.288 3.817 4.120 -0.025 0.000 0.247 19 V C 2.750 178.930 176.094 0.144 0.000 1.051 19 V CA 2.392 64.800 62.300 0.181 0.000 1.036 19 V CB -0.721 31.146 31.823 0.074 0.000 0.654 19 V HN 0.676 nan 8.190 nan 0.000 0.451 20 Q N 0.540 120.384 119.800 0.073 0.000 2.050 20 Q HA -0.217 4.108 4.340 -0.025 0.000 0.202 20 Q C 2.249 178.311 176.000 0.104 0.000 0.980 20 Q CA 2.087 57.927 55.803 0.062 0.000 0.840 20 Q CB -0.401 28.350 28.738 0.022 0.000 0.898 20 Q HN 0.607 nan 8.270 nan 0.000 0.424 21 K N -0.970 119.530 120.400 0.167 0.000 2.097 21 K HA -0.094 4.211 4.320 -0.025 0.000 0.206 21 K C 1.701 178.388 176.600 0.145 0.000 1.049 21 K CA 1.258 57.658 56.287 0.188 0.000 0.933 21 K CB -0.254 32.432 32.500 0.309 0.000 0.717 21 K HN 0.249 nan 8.250 nan 0.000 0.442 22 A N 0.895 123.825 122.820 0.184 0.000 2.119 22 A HA -0.034 4.271 4.320 -0.025 0.000 0.217 22 A C 0.381 178.003 177.584 0.064 0.000 1.153 22 A CA 0.987 53.098 52.037 0.124 0.000 0.692 22 A CB -0.210 18.895 19.000 0.174 0.000 0.799 22 A HN 0.445 nan 8.150 nan 0.000 0.458 23 K N -0.858 119.586 120.400 0.073 0.000 3.016 23 K HA -0.158 4.147 4.320 -0.025 0.000 0.262 23 K C -0.141 176.468 176.600 0.016 0.000 1.043 23 K CA 0.849 57.158 56.287 0.037 0.000 0.761 23 K CB -1.971 30.542 32.500 0.022 0.000 1.230 23 K HN 0.508 nan 8.250 nan 0.000 0.485 24 S N -1.524 114.195 115.700 0.032 0.000 2.556 24 S HA 0.673 5.128 4.470 -0.025 0.000 0.280 24 S C -0.557 174.076 174.600 0.056 0.000 1.141 24 S CA 0.327 58.522 58.200 -0.008 0.000 0.883 24 S CB 2.015 65.184 63.200 -0.051 0.000 1.103 24 S HN 0.968 nan 8.310 nan 0.000 0.453 25 G N 2.787 111.570 108.800 -0.029 0.000 2.343 25 G HA2 0.202 4.148 3.960 -0.025 0.000 0.562 25 G HA3 0.202 4.148 3.960 -0.025 0.000 0.562 25 G C -1.998 172.799 174.900 -0.171 0.000 1.269 25 G CA -0.781 44.376 45.100 0.096 0.000 1.011 25 G HN 0.997 nan 8.290 nan 0.000 0.498 26 H N 1.163 120.271 119.070 0.063 0.000 2.866 26 H HA 0.505 5.046 4.556 -0.024 0.000 0.287 26 H C -1.648 173.661 175.328 -0.031 0.000 1.106 26 H CA -1.266 54.758 56.048 -0.041 0.000 1.396 26 H CB 2.008 31.745 29.762 -0.041 0.000 1.469 26 H HN 0.340 nan 8.280 nan 0.000 0.500 27 P HA 0.007 nan 4.420 nan 0.000 0.230 27 P C 1.624 178.937 177.300 0.021 0.000 1.168 27 P CA 0.612 63.709 63.100 -0.005 0.000 0.793 27 P CB 0.508 32.190 31.700 -0.030 0.000 0.851 28 G N 1.337 110.174 108.800 0.060 0.000 2.480 28 G HA2 -0.259 3.686 3.960 -0.025 0.000 0.216 28 G HA3 -0.259 3.686 3.960 -0.025 0.000 0.216 28 G C 1.779 176.746 174.900 0.113 0.000 1.200 28 G CA 1.269 46.428 45.100 0.099 0.000 0.782 28 G HN 0.330 nan 8.290 nan 0.000 0.554 29 A N 1.512 124.416 122.820 0.139 0.000 1.898 29 A HA 0.107 4.412 4.320 -0.025 0.000 0.216 29 A C 0.802 178.404 177.584 0.030 0.000 1.181 29 A CA 1.974 54.071 52.037 0.100 0.000 0.620 29 A CB -1.149 17.905 19.000 0.090 0.000 0.819 29 A HN 0.382 nan 8.150 nan 0.000 0.442 30 P HA -0.162 nan 4.420 nan 0.000 0.215 30 P C 1.615 178.894 177.300 -0.034 0.000 1.153 30 P CA 1.459 64.528 63.100 -0.051 0.000 0.853 30 P CB -0.185 31.452 31.700 -0.104 0.000 0.788 31 M N -1.572 118.026 119.600 -0.003 0.000 2.175 31 M HA -0.017 4.448 4.480 -0.025 0.000 0.264 31 M C 2.261 178.622 176.300 0.103 0.000 1.063 31 M CA 1.978 57.299 55.300 0.035 0.000 1.119 31 M CB -1.210 31.419 32.600 0.050 0.000 1.377 31 M HN -0.021 nan 8.290 nan 0.000 0.415 32 G N 0.008 108.878 108.800 0.116 0.000 2.422 32 G HA2 -0.126 3.819 3.960 -0.025 0.000 0.218 32 G HA3 -0.126 3.819 3.960 -0.025 0.000 0.218 32 G C 1.449 176.377 174.900 0.045 0.000 1.140 32 G CA 0.464 45.662 45.100 0.164 0.000 0.775 32 G HN 0.378 nan 8.290 nan 0.000 0.545 33 M N 0.603 120.185 119.600 -0.031 0.000 2.371 33 M HA 0.309 4.774 4.480 -0.025 0.000 0.246 33 M C 2.607 178.858 176.300 -0.083 0.000 1.103 33 M CA 0.215 55.437 55.300 -0.129 0.000 1.010 33 M CB 0.620 33.125 32.600 -0.158 0.000 1.457 33 M HN 0.266 nan 8.290 nan 0.000 0.486 34 A N 1.260 124.051 122.820 -0.049 0.000 1.940 34 A HA -0.184 4.121 4.320 -0.025 0.000 0.219 34 A C 1.697 179.272 177.584 -0.014 0.000 1.176 34 A CA 1.825 53.841 52.037 -0.035 0.000 0.631 34 A CB -0.431 18.540 19.000 -0.049 0.000 0.814 34 A HN 0.409 nan 8.150 nan 0.000 0.446 35 D N -0.029 120.335 120.400 -0.059 0.000 2.149 35 D HA -0.083 4.542 4.640 -0.025 0.000 0.201 35 D C 1.897 178.175 176.300 -0.036 0.000 0.972 35 D CA 1.210 55.179 54.000 -0.051 0.000 0.835 35 D CB -0.321 40.424 40.800 -0.091 0.000 0.966 35 D HN 0.548 nan 8.370 nan 0.000 0.476 36 I N 1.671 122.186 120.570 -0.091 0.000 2.179 36 I HA -0.236 3.919 4.170 -0.025 0.000 0.242 36 I C 2.637 178.771 176.117 0.028 0.000 1.088 36 I CA 1.058 62.300 61.300 -0.096 0.000 1.357 36 I CB -0.268 37.544 38.000 -0.314 0.000 1.051 36 I HN -0.093 nan 8.210 nan 0.000 0.409 37 A N 0.181 123.071 122.820 0.117 0.000 1.902 37 A HA -0.241 4.064 4.320 -0.025 0.000 0.217 37 A C 2.375 180.068 177.584 0.182 0.000 1.181 37 A CA 1.707 53.856 52.037 0.186 0.000 0.623 37 A CB -0.556 18.468 19.000 0.040 0.000 0.818 37 A HN 0.432 nan 8.150 nan 0.000 0.443 38 E N 0.312 120.615 120.200 0.172 0.000 2.051 38 E HA -0.138 4.197 4.350 -0.025 0.000 0.192 38 E C 2.081 178.711 176.600 0.050 0.000 0.991 38 E CA 1.708 58.190 56.400 0.135 0.000 0.799 38 E CB -0.275 29.457 29.700 0.052 0.000 0.748 38 E HN 0.323 nan 8.360 nan 0.000 0.449 39 V N 1.609 121.571 119.914 0.080 0.000 2.307 39 V HA -0.254 3.851 4.120 -0.025 0.000 0.245 39 V C 2.678 178.910 176.094 0.229 0.000 1.045 39 V CA 1.652 64.029 62.300 0.128 0.000 1.024 39 V CB -0.655 31.268 31.823 0.167 0.000 0.651 39 V HN 0.253 nan 8.190 nan 0.000 0.449 40 L N -0.758 120.586 121.223 0.202 0.000 1.989 40 L HA -0.142 4.183 4.340 -0.025 0.000 0.211 40 L C 2.054 178.978 176.870 0.090 0.000 1.071 40 L CA 2.184 57.101 54.840 0.129 0.000 0.749 40 L CB -0.753 41.261 42.059 -0.075 0.000 0.890 40 L HN 0.388 nan 8.230 nan 0.000 0.431 41 W N 0.106 121.347 121.300 -0.099 0.000 2.409 41 W HA -0.002 4.643 4.660 -0.025 0.000 0.299 41 W C 2.817 179.347 176.519 0.018 0.000 1.203 41 W CA 1.209 58.506 57.345 -0.081 0.000 1.298 41 W CB -0.283 29.160 29.460 -0.028 0.000 1.127 41 W HN 0.037 nan 8.180 nan 0.000 0.528 42 R N -0.571 120.025 120.500 0.159 0.000 2.127 42 R HA -0.050 4.276 4.340 -0.025 0.000 0.217 42 R C 0.990 177.251 176.300 -0.065 0.000 1.074 42 R CA 1.371 57.470 56.100 -0.003 0.000 0.991 42 R CB -0.239 29.921 30.300 -0.233 0.000 0.895 42 R HN 0.068 nan 8.270 nan 0.000 0.450 43 D N -1.315 119.017 120.400 -0.114 0.000 2.388 43 D HA 0.065 4.690 4.640 -0.025 0.000 0.208 43 D C 0.771 176.702 176.300 -0.616 0.000 1.035 43 D CA 0.774 54.538 54.000 -0.393 0.000 0.875 43 D CB 0.399 40.866 40.800 -0.554 0.000 0.984 43 D HN 0.065 nan 8.370 nan 0.000 0.508 44 F N -0.434 119.489 119.950 -0.044 0.000 2.577 44 F HA 0.272 4.784 4.527 -0.025 0.000 0.282 44 F C 0.456 176.221 175.800 -0.058 0.000 0.957 44 F CA -0.589 57.375 58.000 -0.060 0.000 1.168 44 F CB 0.081 39.007 39.000 -0.122 0.000 0.958 44 F HN -0.216 nan 8.300 nan 0.000 0.702 45 L N 2.646 123.864 121.223 -0.007 0.000 2.513 45 L HA 0.054 4.379 4.340 -0.025 0.000 0.272 45 L C 0.447 177.387 176.870 0.117 0.000 1.187 45 L CA 0.291 55.058 54.840 -0.122 0.000 0.895 45 L CB 0.123 41.767 42.059 -0.691 0.000 1.147 45 L HN 0.021 nan 8.230 nan 0.000 0.483 46 K N 5.292 125.801 120.400 0.183 0.000 2.266 46 K HA 0.353 4.658 4.320 -0.025 0.000 0.274 46 K C -1.154 175.632 176.600 0.309 0.000 1.090 46 K CA -0.344 56.099 56.287 0.261 0.000 0.925 46 K CB 0.078 32.709 32.500 0.217 0.000 1.225 46 K HN 0.947 nan 8.250 nan 0.000 0.458 47 H N 0.059 119.258 119.070 0.215 0.000 3.042 47 H HA 0.375 4.916 4.556 -0.025 0.000 0.346 47 H C -1.611 173.872 175.328 0.259 0.000 1.294 47 H CA -1.281 54.918 56.048 0.252 0.000 1.141 47 H CB 1.153 30.968 29.762 0.087 0.000 1.872 47 H HN 0.281 nan 8.280 nan 0.000 0.541 48 N N 2.012 120.790 118.700 0.129 0.000 2.531 48 N HA 0.291 5.016 4.740 -0.025 0.000 0.268 48 N C -2.261 173.065 175.510 -0.307 0.000 1.023 48 N CA -2.768 50.179 53.050 -0.171 0.000 0.896 48 N CB 1.876 40.254 38.487 -0.182 0.000 1.233 48 N HN 0.410 nan 8.380 nan 0.000 0.512 49 P HA -0.122 nan 4.420 nan 0.000 0.218 49 P C 0.596 177.549 177.300 -0.579 0.000 1.146 49 P CA 1.345 63.771 63.100 -1.123 0.000 0.813 49 P CB 0.379 31.607 31.700 -0.787 0.000 0.778 50 Q N -2.095 117.513 119.800 -0.320 0.000 2.432 50 Q HA 0.011 4.336 4.340 -0.025 0.000 0.205 50 Q C 0.375 176.306 176.000 -0.116 0.000 0.945 50 Q CA 0.423 56.117 55.803 -0.182 0.000 0.924 50 Q CB -0.131 28.517 28.738 -0.150 0.000 1.016 50 Q HN 0.137 nan 8.270 nan 0.000 0.503 51 N N 0.034 118.672 118.700 -0.103 0.000 2.707 51 N HA 0.172 4.897 4.740 -0.025 0.000 0.249 51 N C -2.497 173.060 175.510 0.078 0.000 1.299 51 N CA -1.861 51.181 53.050 -0.014 0.000 0.769 51 N CB 1.276 39.746 38.487 -0.029 0.000 1.236 51 N HN -0.227 nan 8.380 nan 0.000 0.524 52 P HA 0.027 nan 4.420 nan 0.000 0.228 52 P C 0.279 177.660 177.300 0.136 0.000 1.151 52 P CA 0.880 64.117 63.100 0.227 0.000 0.770 52 P CB 0.404 32.287 31.700 0.304 0.000 0.786 53 S N -2.634 113.119 115.700 0.088 0.000 2.557 53 S HA 0.053 4.508 4.470 -0.025 0.000 0.223 53 S C 0.049 174.659 174.600 0.017 0.000 0.969 53 S CA -0.665 57.549 58.200 0.024 0.000 0.927 53 S CB -0.497 62.709 63.200 0.010 0.000 0.806 53 S HN 0.268 nan 8.310 nan 0.000 0.489 54 W N 3.199 124.400 121.300 -0.165 0.000 2.443 54 W HA 0.208 4.856 4.660 -0.020 0.000 0.335 54 W C 1.057 177.334 176.519 -0.404 0.000 1.382 54 W CA -0.744 56.441 57.345 -0.267 0.000 1.305 54 W CB -0.152 29.163 29.460 -0.242 0.000 1.283 54 W HN 0.195 nan 8.180 nan 0.000 0.567 55 A N 3.982 126.572 122.820 -0.382 0.000 1.978 55 A HA -0.237 4.069 4.320 -0.025 0.000 0.220 55 A C 1.565 178.620 177.584 -0.882 0.000 1.170 55 A CA 2.078 53.781 52.037 -0.557 0.000 0.636 55 A CB -0.419 18.394 19.000 -0.311 0.000 0.810 55 A HN 0.638 nan 8.150 nan 0.000 0.448 56 D N -0.972 118.493 120.400 -1.559 0.000 2.388 56 D HA 0.078 4.703 4.640 -0.025 0.000 0.221 56 D C 0.708 175.996 176.300 -1.687 0.000 1.133 56 D CA -0.371 52.791 54.000 -1.398 0.000 0.831 56 D CB -0.081 39.933 40.800 -1.310 0.000 0.962 56 D HN 0.582 nan 8.370 nan 0.000 0.502 57 R N 0.189 119.612 120.500 -1.794 0.000 2.679 57 R HA 0.143 4.468 4.340 -0.025 0.000 0.268 57 R C -0.375 175.490 176.300 -0.725 0.000 1.044 57 R CA -0.335 55.062 56.100 -1.172 0.000 1.105 57 R CB 0.411 30.371 30.300 -0.567 0.000 0.989 57 R HN -0.138 nan 8.270 nan 0.000 0.447 58 D N 1.412 121.636 120.400 -0.293 0.000 2.400 58 D HA 0.070 4.696 4.640 -0.025 0.000 0.238 58 D C -0.274 175.996 176.300 -0.049 0.000 1.157 58 D CA 0.265 54.250 54.000 -0.025 0.000 0.889 58 D CB 0.589 41.501 40.800 0.187 0.000 1.199 58 D HN 0.303 nan 8.370 nan 0.000 0.436 59 R N 0.686 121.223 120.500 0.061 0.000 2.393 59 R HA 0.444 4.769 4.340 -0.025 0.000 0.310 59 R C -0.859 175.558 176.300 0.194 0.000 0.968 59 R CA -0.695 55.452 56.100 0.078 0.000 0.867 59 R CB 0.732 31.080 30.300 0.079 0.000 1.124 59 R HN 0.320 nan 8.270 nan 0.000 0.450 60 F N 3.024 122.982 119.950 0.013 0.000 2.469 60 F HA 0.667 5.181 4.527 -0.023 0.000 0.332 60 F C -1.023 174.802 175.800 0.042 0.000 1.103 60 F CA -0.870 57.151 58.000 0.035 0.000 0.979 60 F CB 1.314 40.287 39.000 -0.045 0.000 1.137 60 F HN 0.187 nan 8.300 nan 0.000 0.463 61 V N 7.129 126.557 119.914 -0.811 0.000 2.577 61 V HA 0.318 4.423 4.120 -0.025 0.000 0.303 61 V C -0.996 174.590 176.094 -0.847 0.000 1.042 61 V CA -0.801 61.145 62.300 -0.590 0.000 0.872 61 V CB 1.650 33.344 31.823 -0.215 0.000 0.998 61 V HN 0.693 nan 8.190 nan 0.000 0.423 62 L N 4.071 124.977 121.223 -0.528 0.000 2.315 62 L HA 0.400 4.725 4.340 -0.025 0.000 0.278 62 L C 1.376 178.187 176.870 -0.098 0.000 1.088 62 L CA 0.860 55.541 54.840 -0.264 0.000 0.899 62 L CB 1.115 43.120 42.059 -0.091 0.000 1.277 62 L HN 0.730 nan 8.230 nan 0.000 0.431 63 S N 2.618 118.296 115.700 -0.037 0.000 2.406 63 S HA -0.063 4.392 4.470 -0.025 0.000 0.228 63 S C 1.008 175.632 174.600 0.041 0.000 1.020 63 S CA 0.945 59.154 58.200 0.014 0.000 0.965 63 S CB -0.271 62.957 63.200 0.047 0.000 0.798 63 S HN 0.875 nan 8.310 nan 0.000 0.488 64 N N 1.519 120.242 118.700 0.038 0.000 3.178 64 N HA 0.188 4.913 4.740 -0.025 0.000 0.300 64 N C 0.740 176.091 175.510 -0.266 0.000 1.242 64 N CA 0.292 53.317 53.050 -0.041 0.000 1.192 64 N CB -0.290 38.190 38.487 -0.013 0.000 1.463 64 N HN 0.257 nan 8.380 nan 0.000 0.539 65 G N 0.704 109.469 108.800 -0.059 0.000 2.509 65 G HA2 -0.278 3.667 3.960 -0.025 0.000 0.218 65 G HA3 -0.278 3.667 3.960 -0.025 0.000 0.218 65 G C 1.237 176.122 174.900 -0.025 0.000 1.124 65 G CA 0.487 45.579 45.100 -0.013 0.000 0.776 65 G HN 0.769 nan 8.290 nan 0.000 0.547 66 H N 0.222 119.314 119.070 0.037 0.000 2.457 66 H HA -0.041 4.500 4.556 -0.025 0.000 0.297 66 H C 2.055 177.208 175.328 -0.291 0.000 1.092 66 H CA 0.933 56.768 56.048 -0.355 0.000 1.309 66 H CB -0.804 28.620 29.762 -0.562 0.000 1.382 66 H HN 0.193 nan 8.280 nan 0.000 0.535 67 G N 1.495 110.004 108.800 -0.485 0.000 3.397 67 G HA2 0.036 3.981 3.960 -0.025 0.000 0.248 67 G HA3 0.036 3.981 3.960 -0.025 0.000 0.248 67 G C 1.338 176.104 174.900 -0.223 0.000 1.284 67 G CA 0.297 45.250 45.100 -0.245 0.000 1.570 67 G HN 0.594 nan 8.290 nan 0.000 0.587 68 S N 0.276 115.840 115.700 -0.226 0.000 2.400 68 S HA -0.172 4.283 4.470 -0.025 0.000 0.232 68 S C 2.220 176.473 174.600 -0.578 0.000 1.025 68 S CA 0.717 58.687 58.200 -0.384 0.000 0.993 68 S CB -0.202 62.875 63.200 -0.203 0.000 0.808 68 S HN 0.228 nan 8.310 nan 0.000 0.478 69 M N 0.862 120.239 119.600 -0.372 0.000 2.358 69 M HA 0.134 4.599 4.480 -0.025 0.000 0.264 69 M C 1.994 178.102 176.300 -0.321 0.000 1.064 69 M CA 0.652 55.723 55.300 -0.383 0.000 1.093 69 M CB -1.381 30.938 32.600 -0.469 0.000 1.401 69 M HN 0.445 nan 8.290 nan 0.000 0.440 70 L N 0.410 121.456 121.223 -0.294 0.000 1.994 70 L HA -0.146 4.179 4.340 -0.025 0.000 0.208 70 L C 2.193 178.839 176.870 -0.373 0.000 1.071 70 L CA 1.734 56.411 54.840 -0.273 0.000 0.745 70 L CB -0.742 41.227 42.059 -0.149 0.000 0.892 70 L HN 0.240 nan 8.230 nan 0.000 0.431 71 I N -1.859 118.481 120.570 -0.383 0.000 2.353 71 I HA -0.300 3.855 4.170 -0.025 0.000 0.248 71 I C 2.065 177.988 176.117 -0.322 0.000 1.119 71 I CA 0.964 62.024 61.300 -0.400 0.000 1.417 71 I CB -0.099 37.767 38.000 -0.224 0.000 1.078 71 I HN 0.285 nan 8.210 nan 0.000 0.421 72 Y N 0.740 120.923 120.300 -0.195 0.000 2.181 72 Y HA -0.185 4.350 4.550 -0.025 0.000 0.288 72 Y C 2.931 178.713 175.900 -0.196 0.000 1.146 72 Y CA 1.046 59.053 58.100 -0.154 0.000 1.164 72 Y CB -1.391 37.003 38.460 -0.111 0.000 0.982 72 Y HN 0.152 nan 8.280 nan 0.000 0.515 73 S N 0.259 115.869 115.700 -0.151 0.000 2.359 73 S HA -0.172 4.283 4.470 -0.025 0.000 0.224 73 S C 2.199 176.548 174.600 -0.418 0.000 1.035 73 S CA 1.384 59.425 58.200 -0.264 0.000 1.018 73 S CB -0.728 62.259 63.200 -0.355 0.000 0.876 73 S HN 0.344 nan 8.310 nan 0.000 0.448 74 L N 0.976 121.834 121.223 -0.609 0.000 2.017 74 L HA -0.120 4.205 4.340 -0.025 0.000 0.208 74 L C 2.296 178.859 176.870 -0.511 0.000 1.073 74 L CA 1.122 55.433 54.840 -0.882 0.000 0.745 74 L CB -0.617 40.472 42.059 -1.616 0.000 0.894 74 L HN 0.279 nan 8.230 nan 0.000 0.432 75 L N -1.211 119.801 121.223 -0.352 0.000 2.046 75 L HA -0.253 4.072 4.340 -0.025 0.000 0.208 75 L C 2.684 179.641 176.870 0.145 0.000 1.077 75 L CA 1.324 56.100 54.840 -0.106 0.000 0.747 75 L CB -0.745 41.215 42.059 -0.166 0.000 0.896 75 L HN 0.316 nan 8.230 nan 0.000 0.432 76 H N 0.383 119.455 119.070 0.004 0.000 2.293 76 H HA -0.148 4.393 4.556 -0.025 0.000 0.300 76 H C 2.175 177.560 175.328 0.096 0.000 1.082 76 H CA 1.768 57.853 56.048 0.062 0.000 1.308 76 H CB -0.100 29.680 29.762 0.030 0.000 1.375 76 H HN 0.119 nan 8.280 nan 0.000 0.495 77 L N -0.082 121.062 121.223 -0.132 0.000 2.083 77 L HA -0.128 4.197 4.340 -0.025 0.000 0.209 77 L C 2.480 179.400 176.870 0.082 0.000 1.083 77 L CA 1.738 56.470 54.840 -0.180 0.000 0.752 77 L CB -0.548 41.029 42.059 -0.804 0.000 0.899 77 L HN 0.547 nan 8.230 nan 0.000 0.433 78 T N -3.815 110.848 114.554 0.181 0.000 3.113 78 T HA 0.207 4.542 4.350 -0.025 0.000 0.256 78 T C 1.334 176.192 174.700 0.263 0.000 1.131 78 T CA 0.508 62.847 62.100 0.399 0.000 1.074 78 T CB 0.435 69.728 68.868 0.708 0.000 0.944 78 T HN 0.481 nan 8.240 nan 0.000 0.516 79 G N -0.013 108.887 108.800 0.166 0.000 2.143 79 G HA2 -0.173 3.773 3.960 -0.025 0.000 0.175 79 G HA3 -0.173 3.773 3.960 -0.025 0.000 0.175 79 G C -0.174 174.738 174.900 0.020 0.000 1.004 79 G CA -0.439 44.675 45.100 0.025 0.000 0.671 79 G HN 0.540 nan 8.290 nan 0.000 0.512 80 Y N 0.592 120.930 120.300 0.064 0.000 2.385 80 Y HA 0.371 4.906 4.550 -0.026 0.000 0.346 80 Y C 1.150 177.082 175.900 0.054 0.000 1.270 80 Y CA 0.271 58.421 58.100 0.084 0.000 1.472 80 Y CB 0.456 39.002 38.460 0.144 0.000 1.354 80 Y HN 0.103 nan 8.280 nan 0.000 0.611 81 D N 2.055 122.581 120.400 0.211 0.000 2.597 81 D HA 0.126 4.751 4.640 -0.025 0.000 0.228 81 D C -1.407 174.983 176.300 0.151 0.000 1.120 81 D CA 0.257 54.336 54.000 0.131 0.000 1.083 81 D CB -0.852 40.003 40.800 0.092 0.000 1.116 81 D HN 0.311 nan 8.370 nan 0.000 0.487 82 L N 3.950 125.277 121.223 0.173 0.000 2.489 82 L HA 0.435 4.761 4.340 -0.025 0.000 0.257 82 L C -2.612 174.397 176.870 0.232 0.000 1.215 82 L CA -1.745 53.193 54.840 0.164 0.000 0.915 82 L CB 1.588 43.751 42.059 0.174 0.000 1.146 82 L HN -0.007 nan 8.230 nan 0.000 0.494 83 P HA 0.134 nan 4.420 nan 0.000 0.271 83 P C 0.908 178.231 177.300 0.039 0.000 1.233 83 P CA -0.316 62.877 63.100 0.155 0.000 0.789 83 P CB 0.646 32.384 31.700 0.063 0.000 0.951 84 M N 1.544 121.133 119.600 -0.018 0.000 2.149 84 M HA -0.206 4.259 4.480 -0.025 0.000 0.261 84 M C 1.718 177.919 176.300 -0.165 0.000 1.064 84 M CA 1.868 57.045 55.300 -0.205 0.000 1.102 84 M CB -1.081 31.479 32.600 -0.066 0.000 1.369 84 M HN 0.357 nan 8.290 nan 0.000 0.408 85 E N 0.072 120.208 120.200 -0.107 0.000 2.118 85 E HA -0.202 4.133 4.350 -0.025 0.000 0.195 85 E C 1.773 178.298 176.600 -0.124 0.000 0.992 85 E CA 1.624 57.948 56.400 -0.128 0.000 0.804 85 E CB -0.153 29.503 29.700 -0.074 0.000 0.741 85 E HN 0.532 nan 8.360 nan 0.000 0.458 86 E N -0.293 119.853 120.200 -0.089 0.000 2.106 86 E HA -0.146 4.189 4.350 -0.025 0.000 0.192 86 E C 2.057 178.602 176.600 -0.091 0.000 0.984 86 E CA 0.649 57.001 56.400 -0.081 0.000 0.806 86 E CB -0.203 29.456 29.700 -0.069 0.000 0.750 86 E HN 0.269 nan 8.360 nan 0.000 0.458 87 L N 1.211 122.369 121.223 -0.109 0.000 2.083 87 L HA -0.146 4.179 4.340 -0.025 0.000 0.209 87 L C 2.124 178.985 176.870 -0.015 0.000 1.083 87 L CA 1.506 56.322 54.840 -0.041 0.000 0.752 87 L CB -0.412 41.631 42.059 -0.027 0.000 0.899 87 L HN -0.013 nan 8.230 nan 0.000 0.433 88 K N -0.429 119.805 120.400 -0.277 0.000 2.442 88 K HA -0.041 4.264 4.320 -0.025 0.000 0.198 88 K C 0.550 177.061 176.600 -0.149 0.000 1.042 88 K CA 0.603 56.610 56.287 -0.467 0.000 0.958 88 K CB -0.078 32.027 32.500 -0.658 0.000 0.766 88 K HN 0.286 nan 8.250 nan 0.000 0.474 89 N N 0.376 119.041 118.700 -0.058 0.000 2.275 89 N HA 0.014 4.739 4.740 -0.025 0.000 0.236 89 N C -0.529 175.018 175.510 0.061 0.000 1.154 89 N CA -0.271 52.773 53.050 -0.009 0.000 0.866 89 N CB 0.043 38.510 38.487 -0.033 0.000 1.093 89 N HN 0.028 nan 8.380 nan 0.000 0.515 90 F N 2.513 122.436 119.950 -0.044 0.000 2.604 90 F HA -0.090 4.422 4.527 -0.026 0.000 0.393 90 F C 1.243 177.052 175.800 0.014 0.000 1.043 90 F CA 0.492 58.488 58.000 -0.006 0.000 1.227 90 F CB 0.223 39.259 39.000 0.060 0.000 1.016 90 F HN 0.200 nan 8.300 nan 0.000 0.556 91 R N 1.123 121.338 120.500 -0.475 0.000 3.951 91 R HA -0.204 4.121 4.340 -0.025 0.000 0.352 91 R C -0.569 175.614 176.300 -0.196 0.000 1.178 91 R CA 0.825 56.653 56.100 -0.453 0.000 0.949 91 R CB -1.386 28.514 30.300 -0.667 0.000 1.452 91 R HN 0.612 nan 8.270 nan 0.000 0.540 92 Q N 0.549 120.281 119.800 -0.112 0.000 2.257 92 Q HA 0.308 4.633 4.340 -0.025 0.000 0.262 92 Q C -0.077 175.881 176.000 -0.070 0.000 0.997 92 Q CA -1.167 54.591 55.803 -0.075 0.000 0.873 92 Q CB 1.090 29.800 28.738 -0.046 0.000 1.312 92 Q HN 0.087 nan 8.270 nan 0.000 0.450 93 L N 2.864 124.021 121.223 -0.110 0.000 2.601 93 L HA -0.081 4.244 4.340 -0.025 0.000 0.277 93 L C 0.212 176.991 176.870 -0.153 0.000 1.219 93 L CA 1.337 56.041 54.840 -0.225 0.000 0.915 93 L CB -0.717 41.136 42.059 -0.343 0.000 1.160 93 L HN 0.757 nan 8.230 nan 0.000 0.494 94 H N 0.549 119.649 119.070 0.050 0.000 3.211 94 H HA -0.187 4.354 4.556 -0.025 0.000 0.240 94 H C 0.761 176.101 175.328 0.021 0.000 1.148 94 H CA 0.584 56.653 56.048 0.035 0.000 1.160 94 H CB -1.539 28.221 29.762 -0.002 0.000 1.232 94 H HN 0.791 nan 8.280 nan 0.000 0.321 95 S N 0.600 116.369 115.700 0.115 0.000 2.600 95 S HA 0.199 4.654 4.470 -0.025 0.000 0.265 95 S C 1.106 175.761 174.600 0.092 0.000 1.325 95 S CA -0.492 57.746 58.200 0.063 0.000 1.002 95 S CB 1.573 64.782 63.200 0.015 0.000 0.921 95 S HN 0.393 nan 8.310 nan 0.000 0.554 96 K N 0.473 120.887 120.400 0.024 0.000 2.476 96 K HA 0.084 4.389 4.320 -0.025 0.000 0.196 96 K C 0.197 176.725 176.600 -0.121 0.000 1.025 96 K CA 0.413 56.715 56.287 0.026 0.000 1.138 96 K CB -0.132 32.366 32.500 -0.003 0.000 0.860 96 K HN 0.834 nan 8.250 nan 0.000 0.515 97 T N -0.213 114.235 114.554 -0.176 0.000 3.514 97 T HA 0.230 4.565 4.350 -0.025 0.000 0.259 97 T C -2.603 172.096 174.700 -0.001 0.000 1.466 97 T CA -1.973 59.844 62.100 -0.472 0.000 1.562 97 T CB 0.602 69.227 68.868 -0.405 0.000 0.924 97 T HN -0.126 nan 8.240 nan 0.000 0.678 98 P HA 0.176 nan 4.420 nan 0.000 0.271 98 P C 1.392 178.772 177.300 0.133 0.000 1.233 98 P CA -0.032 63.114 63.100 0.077 0.000 0.789 98 P CB 0.585 32.297 31.700 0.020 0.000 0.951 99 G N 0.400 109.162 108.800 -0.063 0.000 2.450 99 G HA2 -0.159 3.786 3.960 -0.025 0.000 0.220 99 G HA3 -0.159 3.786 3.960 -0.025 0.000 0.220 99 G C 0.105 174.903 174.900 -0.169 0.000 1.130 99 G CA 1.001 46.005 45.100 -0.161 0.000 0.760 99 G HN 0.623 nan 8.290 nan 0.000 0.557 100 H N -0.447 118.673 119.070 0.083 0.000 2.622 100 H HA 0.467 5.008 4.556 -0.024 0.000 0.363 100 H C -2.481 172.887 175.328 0.067 0.000 1.151 100 H CA -1.858 54.221 56.048 0.053 0.000 1.184 100 H CB 2.061 31.831 29.762 0.012 0.000 1.643 100 H HN -0.057 nan 8.280 nan 0.000 0.531 101 P HA 0.104 nan 4.420 nan 0.000 0.271 101 P C -0.857 176.499 177.300 0.092 0.000 1.216 101 P CA -0.161 63.016 63.100 0.129 0.000 0.776 101 P CB 0.826 32.529 31.700 0.005 0.000 0.881 102 E N 0.764 121.017 120.200 0.087 0.000 2.224 102 E HA 0.326 4.661 4.350 -0.025 0.000 0.265 102 E C -0.861 175.811 176.600 0.120 0.000 0.878 102 E CA -1.163 55.235 56.400 -0.003 0.000 0.759 102 E CB 2.349 31.842 29.700 -0.346 0.000 1.164 102 E HN 0.127 nan 8.360 nan 0.000 0.414 103 V N 2.950 122.933 119.914 0.115 0.000 2.655 103 V HA 0.295 4.400 4.120 -0.025 0.000 0.300 103 V C 1.166 177.386 176.094 0.210 0.000 1.044 103 V CA 2.106 64.493 62.300 0.145 0.000 1.095 103 V CB 0.474 32.360 31.823 0.104 0.000 0.952 103 V HN 1.017 nan 8.190 nan 0.000 0.485 104 G N 4.912 113.831 108.800 0.200 0.000 2.299 104 G HA2 -0.358 3.587 3.960 -0.025 0.000 0.237 104 G HA3 -0.358 3.587 3.960 -0.025 0.000 0.237 104 G C 0.728 175.759 174.900 0.219 0.000 1.027 104 G CA 0.846 46.062 45.100 0.194 0.000 0.619 104 G HN 0.820 nan 8.290 nan 0.000 0.513 105 Y N 1.632 121.981 120.300 0.081 0.000 2.519 105 Y HA 0.329 4.863 4.550 -0.026 0.000 0.287 105 Y C 1.078 177.021 175.900 0.071 0.000 1.128 105 Y CA 1.537 59.682 58.100 0.076 0.000 1.282 105 Y CB 0.794 39.308 38.460 0.091 0.000 1.027 105 Y HN 0.240 nan 8.280 nan 0.000 0.551 106 T N -0.090 114.601 114.554 0.227 0.000 3.395 106 T HA 0.443 4.778 4.350 -0.025 0.000 0.330 106 T C -0.772 174.031 174.700 0.172 0.000 1.076 106 T CA -0.849 61.362 62.100 0.185 0.000 1.070 106 T CB 1.123 70.133 68.868 0.236 0.000 1.119 106 T HN 0.123 nan 8.240 nan 0.000 0.462 107 A N 1.566 124.487 122.820 0.168 0.000 2.545 107 A HA 0.526 4.831 4.320 -0.025 0.000 0.253 107 A C 1.613 179.314 177.584 0.195 0.000 1.074 107 A CA 0.972 53.141 52.037 0.219 0.000 0.760 107 A CB -0.921 18.248 19.000 0.281 0.000 1.005 107 A HN 2.104 nan 8.150 nan 0.000 0.506 108 G N 1.322 110.238 108.800 0.193 0.000 2.195 108 G HA2 -0.183 3.762 3.960 -0.025 0.000 0.246 108 G HA3 -0.183 3.762 3.960 -0.025 0.000 0.246 108 G C 0.248 175.188 174.900 0.067 0.000 0.984 108 G CA 0.044 45.182 45.100 0.063 0.000 0.633 108 G HN 1.409 nan 8.290 nan 0.000 0.525 109 V N 1.982 121.962 119.914 0.111 0.000 2.455 109 V HA 0.303 4.408 4.120 -0.025 0.000 0.273 109 V C 1.342 177.505 176.094 0.115 0.000 1.045 109 V CA 0.149 62.527 62.300 0.131 0.000 0.976 109 V CB 1.518 33.440 31.823 0.165 0.000 0.993 109 V HN 0.325 nan 8.190 nan 0.000 0.475 110 E N 2.114 122.377 120.200 0.104 0.000 2.318 110 E HA 0.080 4.415 4.350 -0.025 0.000 0.193 110 E C 0.816 177.454 176.600 0.062 0.000 0.998 110 E CA 0.484 56.930 56.400 0.075 0.000 0.859 110 E CB 0.726 30.466 29.700 0.066 0.000 0.812 110 E HN 0.707 nan 8.360 nan 0.000 0.492 111 T N -0.674 113.915 114.554 0.059 0.000 2.802 111 T HA 0.244 4.579 4.350 -0.025 0.000 0.311 111 T C -1.342 173.386 174.700 0.047 0.000 1.405 111 T CA -0.546 61.584 62.100 0.049 0.000 1.016 111 T CB 1.740 70.626 68.868 0.030 0.000 1.352 111 T HN -0.238 nan 8.240 nan 0.000 0.498 112 T N 3.105 117.684 114.554 0.042 0.000 2.744 112 T HA 0.612 4.947 4.350 -0.025 0.000 0.291 112 T C 0.396 175.111 174.700 0.025 0.000 0.957 112 T CA -0.440 61.680 62.100 0.032 0.000 1.002 112 T CB 0.778 69.658 68.868 0.020 0.000 0.919 112 T HN 0.848 nan 8.240 nan 0.000 0.468 113 T N -0.130 114.442 114.554 0.031 0.000 2.804 113 T HA 0.868 5.203 4.350 -0.025 0.000 0.272 113 T C 1.033 175.749 174.700 0.027 0.000 0.986 113 T CA 0.018 62.134 62.100 0.026 0.000 0.999 113 T CB 1.689 70.570 68.868 0.021 0.000 1.307 113 T HN 0.763 nan 8.240 nan 0.000 0.586 114 G N 0.355 109.161 108.800 0.011 0.000 3.031 114 G HA2 -0.041 3.904 3.960 -0.025 0.000 0.198 114 G HA3 -0.041 3.904 3.960 -0.025 0.000 0.198 114 G C -2.508 172.309 174.900 -0.138 0.000 1.242 114 G CA -0.389 44.590 45.100 -0.201 0.000 0.878 114 G HN 0.874 nan 8.290 nan 0.000 0.493 115 P HA 0.556 nan 4.420 nan 0.000 0.280 115 P C 0.393 177.711 177.300 0.029 0.000 1.300 115 P CA -0.305 62.792 63.100 -0.006 0.000 0.785 115 P CB 0.607 32.326 31.700 0.031 0.000 0.874 116 L N 2.341 123.589 121.223 0.042 0.000 2.514 116 L HA 0.144 4.469 4.340 -0.025 0.000 0.280 116 L C 1.819 178.702 176.870 0.023 0.000 1.223 116 L CA 1.169 56.040 54.840 0.052 0.000 0.864 116 L CB -0.422 41.672 42.059 0.058 0.000 1.118 116 L HN 0.783 nan 8.230 nan 0.000 0.494 117 G N 1.124 109.927 108.800 0.005 0.000 2.299 117 G HA2 -0.313 3.633 3.960 -0.025 0.000 0.237 117 G HA3 -0.313 3.633 3.960 -0.025 0.000 0.237 117 G C 0.914 175.751 174.900 -0.106 0.000 1.027 117 G CA 0.459 45.530 45.100 -0.049 0.000 0.619 117 G HN 0.650 nan 8.290 nan 0.000 0.513 118 Q N 0.379 120.123 119.800 -0.094 0.000 2.230 118 Q HA 0.156 4.481 4.340 -0.025 0.000 0.202 118 Q C 2.784 178.748 176.000 -0.059 0.000 0.963 118 Q CA 1.122 56.854 55.803 -0.118 0.000 0.866 118 Q CB -0.226 28.476 28.738 -0.060 0.000 0.931 118 Q HN 0.606 nan 8.270 nan 0.000 0.452 119 G N 1.411 110.196 108.800 -0.026 0.000 2.421 119 G HA2 -0.272 3.673 3.960 -0.025 0.000 0.216 119 G HA3 -0.272 3.673 3.960 -0.025 0.000 0.216 119 G C 1.378 176.275 174.900 -0.005 0.000 1.171 119 G CA 0.643 45.733 45.100 -0.016 0.000 0.775 119 G HN 0.308 nan 8.290 nan 0.000 0.543 120 I N 1.773 122.351 120.570 0.013 0.000 2.286 120 I HA -0.030 4.125 4.170 -0.025 0.000 0.248 120 I C 2.931 179.068 176.117 0.034 0.000 1.115 120 I CA 1.258 62.590 61.300 0.053 0.000 1.392 120 I CB -0.420 37.632 38.000 0.087 0.000 1.065 120 I HN 0.190 nan 8.210 nan 0.000 0.418 121 A N 0.351 123.155 122.820 -0.028 0.000 1.877 121 A HA -0.274 4.031 4.320 -0.025 0.000 0.216 121 A C 2.132 179.703 177.584 -0.021 0.000 1.186 121 A CA 2.322 54.328 52.037 -0.052 0.000 0.620 121 A CB -1.302 17.611 19.000 -0.145 0.000 0.822 121 A HN 0.656 nan 8.150 nan 0.000 0.443 122 N N 0.232 118.922 118.700 -0.016 0.000 2.104 122 N HA -0.105 4.621 4.740 -0.025 0.000 0.190 122 N C 1.943 177.466 175.510 0.021 0.000 1.024 122 N CA 1.089 54.142 53.050 0.006 0.000 0.853 122 N CB -0.281 38.212 38.487 0.010 0.000 1.008 122 N HN 0.515 nan 8.380 nan 0.000 0.424 123 A N 0.967 123.802 122.820 0.025 0.000 1.902 123 A HA -0.092 4.214 4.320 -0.025 0.000 0.217 123 A C 2.434 180.039 177.584 0.035 0.000 1.181 123 A CA 1.114 53.175 52.037 0.040 0.000 0.623 123 A CB -0.804 18.231 19.000 0.058 0.000 0.818 123 A HN 0.103 nan 8.150 nan 0.000 0.443 124 V N 0.018 119.956 119.914 0.039 0.000 2.332 124 V HA -0.229 3.876 4.120 -0.025 0.000 0.248 124 V C 2.804 178.882 176.094 -0.027 0.000 1.055 124 V CA 2.060 64.368 62.300 0.014 0.000 1.038 124 V CB -1.471 30.372 31.823 0.033 0.000 0.651 124 V HN 0.624 nan 8.190 nan 0.000 0.450 125 G N -0.801 107.991 108.800 -0.013 0.000 2.418 125 G HA2 -0.269 3.677 3.960 -0.025 0.000 0.217 125 G HA3 -0.269 3.677 3.960 -0.025 0.000 0.217 125 G C 1.614 176.484 174.900 -0.050 0.000 1.158 125 G CA 1.105 46.186 45.100 -0.031 0.000 0.771 125 G HN 0.451 nan 8.290 nan 0.000 0.545 126 M N 0.784 120.389 119.600 0.008 0.000 2.159 126 M HA 0.034 4.499 4.480 -0.025 0.000 0.263 126 M C 2.998 179.267 176.300 -0.051 0.000 1.063 126 M CA 1.350 56.684 55.300 0.057 0.000 1.110 126 M CB -0.159 32.538 32.600 0.161 0.000 1.374 126 M HN 0.306 nan 8.290 nan 0.000 0.411 127 A N 0.535 123.314 122.820 -0.068 0.000 1.898 127 A HA -0.087 4.218 4.320 -0.025 0.000 0.216 127 A C 2.078 179.548 177.584 -0.190 0.000 1.181 127 A CA 1.263 53.221 52.037 -0.132 0.000 0.620 127 A CB -0.800 18.125 19.000 -0.124 0.000 0.819 127 A HN 0.436 nan 8.150 nan 0.000 0.442 128 I N -0.162 120.297 120.570 -0.186 0.000 2.226 128 I HA -0.295 3.860 4.170 -0.025 0.000 0.245 128 I C 2.978 178.918 176.117 -0.294 0.000 1.100 128 I CA 1.041 62.203 61.300 -0.229 0.000 1.374 128 I CB -0.326 37.536 38.000 -0.229 0.000 1.057 128 I HN 0.366 nan 8.210 nan 0.000 0.413 129 A N 0.218 122.832 122.820 -0.343 0.000 1.877 129 A HA -0.261 4.044 4.320 -0.025 0.000 0.216 129 A C 2.369 179.784 177.584 -0.281 0.000 1.186 129 A CA 1.829 53.631 52.037 -0.392 0.000 0.620 129 A CB -0.610 18.111 19.000 -0.464 0.000 0.822 129 A HN 0.428 nan 8.150 nan 0.000 0.443 130 E N 0.247 120.193 120.200 -0.424 0.000 2.051 130 E HA -0.243 4.092 4.350 -0.025 0.000 0.192 130 E C 2.072 178.564 176.600 -0.180 0.000 0.991 130 E CA 1.716 57.934 56.400 -0.303 0.000 0.799 130 E CB -0.257 29.171 29.700 -0.454 0.000 0.748 130 E HN 0.655 nan 8.360 nan 0.000 0.449 131 K N -0.376 119.913 120.400 -0.185 0.000 2.057 131 K HA -0.106 4.199 4.320 -0.025 0.000 0.207 131 K C 2.077 178.648 176.600 -0.048 0.000 1.049 131 K CA 1.829 58.034 56.287 -0.137 0.000 0.931 131 K CB -0.062 32.343 32.500 -0.158 0.000 0.714 131 K HN 0.064 nan 8.250 nan 0.000 0.440 132 T N 1.611 116.150 114.554 -0.025 0.000 2.812 132 T HA -0.111 4.224 4.350 -0.025 0.000 0.264 132 T C 1.695 176.571 174.700 0.293 0.000 1.042 132 T CA 0.909 63.056 62.100 0.078 0.000 1.140 132 T CB -0.126 68.708 68.868 -0.056 0.000 0.870 132 T HN 0.105 nan 8.240 nan 0.000 0.445 133 L N 1.252 122.725 121.223 0.417 0.000 2.093 133 L HA 0.120 4.446 4.340 -0.025 0.000 0.208 133 L C 2.624 179.719 176.870 0.375 0.000 1.085 133 L CA 1.482 56.604 54.840 0.469 0.000 0.755 133 L CB -0.876 41.414 42.059 0.384 0.000 0.904 133 L HN 0.231 nan 8.230 nan 0.000 0.435 134 A N -0.698 122.237 122.820 0.191 0.000 1.877 134 A HA -0.147 4.158 4.320 -0.025 0.000 0.216 134 A C 2.443 180.088 177.584 0.102 0.000 1.186 134 A CA 1.789 53.894 52.037 0.113 0.000 0.620 134 A CB -1.120 17.880 19.000 0.001 0.000 0.822 134 A HN 0.498 nan 8.150 nan 0.000 0.443 135 A N -0.836 122.030 122.820 0.077 0.000 1.933 135 A HA -0.204 4.101 4.320 -0.025 0.000 0.218 135 A C 2.131 179.739 177.584 0.040 0.000 1.175 135 A CA 1.673 53.736 52.037 0.042 0.000 0.628 135 A CB -0.522 18.491 19.000 0.021 0.000 0.814 135 A HN 0.671 nan 8.150 nan 0.000 0.444 136 Q N -2.092 117.756 119.800 0.079 0.000 2.083 136 Q HA -0.051 4.274 4.340 -0.025 0.000 0.198 136 Q C 1.494 177.367 176.000 -0.211 0.000 0.969 136 Q CA 1.485 57.248 55.803 -0.067 0.000 0.838 136 Q CB -0.120 28.579 28.738 -0.065 0.000 0.900 136 Q HN 0.754 nan 8.270 nan 0.000 0.436 137 F N 0.008 120.006 119.950 0.080 0.000 2.559 137 F HA 0.122 4.628 4.527 -0.036 0.000 0.286 137 F C 0.595 176.376 175.800 -0.032 0.000 1.108 137 F CA -0.485 57.555 58.000 0.067 0.000 1.436 137 F CB 0.261 39.321 39.000 0.100 0.000 1.130 137 F HN -0.107 nan 8.300 nan 0.000 0.584 138 N N 1.862 120.625 118.700 0.105 0.000 2.441 138 N HA 0.134 4.859 4.740 -0.025 0.000 0.251 138 N C -0.087 175.429 175.510 0.010 0.000 1.242 138 N CA 0.369 53.434 53.050 0.024 0.000 0.898 138 N CB 0.415 38.915 38.487 0.022 0.000 1.100 138 N HN -0.033 nan 8.380 nan 0.000 0.443 139 R N 0.948 121.468 120.500 0.034 0.000 2.808 139 R HA 0.485 4.810 4.340 -0.025 0.000 0.272 139 R C -2.648 173.730 176.300 0.130 0.000 0.995 139 R CA -1.932 54.164 56.100 -0.007 0.000 0.917 139 R CB 0.601 30.689 30.300 -0.353 0.000 1.217 139 R HN 0.319 nan 8.270 nan 0.000 0.471 140 P HA 0.051 nan 4.420 nan 0.000 0.260 140 P C 0.618 178.007 177.300 0.148 0.000 1.185 140 P CA 1.093 64.268 63.100 0.125 0.000 0.763 140 P CB 0.257 32.027 31.700 0.117 0.000 0.776 141 G N 2.461 111.274 108.800 0.022 0.000 2.179 141 G HA2 -0.217 3.728 3.960 -0.025 0.000 0.260 141 G HA3 -0.217 3.728 3.960 -0.025 0.000 0.260 141 G C 0.130 174.799 174.900 -0.386 0.000 0.977 141 G CA -0.281 44.723 45.100 -0.159 0.000 0.641 141 G HN 0.729 nan 8.290 nan 0.000 0.533 142 H N 0.447 119.566 119.070 0.082 0.000 2.538 142 H HA 0.278 4.818 4.556 -0.025 0.000 0.239 142 H C -1.223 174.096 175.328 -0.014 0.000 1.401 142 H CA -0.682 55.413 56.048 0.078 0.000 1.499 142 H CB 0.752 30.672 29.762 0.262 0.000 1.624 142 H HN 0.130 nan 8.280 nan 0.000 0.524 143 D N 2.788 123.220 120.400 0.052 0.000 2.563 143 D HA 0.080 4.705 4.640 -0.025 0.000 0.222 143 D C 1.837 178.157 176.300 0.034 0.000 1.145 143 D CA -0.219 53.798 54.000 0.028 0.000 1.001 143 D CB 0.152 40.974 40.800 0.037 0.000 1.049 143 D HN 0.614 nan 8.370 nan 0.000 0.515 144 I N -2.006 118.517 120.570 -0.079 0.000 2.830 144 I HA -0.004 4.151 4.170 -0.025 0.000 0.263 144 I C 0.213 176.468 176.117 0.229 0.000 1.230 144 I CA 0.389 61.675 61.300 -0.023 0.000 1.480 144 I CB 0.159 37.875 38.000 -0.475 0.000 1.095 144 I HN -0.182 nan 8.210 nan 0.000 0.455 145 V N 2.738 122.710 119.914 0.097 0.000 2.357 145 V HA 0.465 4.571 4.120 -0.025 0.000 0.284 145 V C -1.073 175.047 176.094 0.044 0.000 1.018 145 V CA -0.272 62.111 62.300 0.137 0.000 0.841 145 V CB 1.021 32.928 31.823 0.140 0.000 0.991 145 V HN 0.286 nan 8.190 nan 0.000 0.437 146 D N 4.066 124.492 120.400 0.043 0.000 2.474 146 D HA 0.252 4.877 4.640 -0.025 0.000 0.234 146 D C -0.861 175.426 176.300 -0.021 0.000 1.323 146 D CA -0.252 53.721 54.000 -0.046 0.000 0.915 146 D CB 0.542 41.369 40.800 0.045 0.000 1.487 146 D HN 0.821 nan 8.370 nan 0.000 0.524 147 H N 0.276 119.267 119.070 -0.132 0.000 3.016 147 H HA 0.402 4.941 4.556 -0.029 0.000 0.362 147 H C -1.245 173.955 175.328 -0.214 0.000 1.233 147 H CA -0.703 55.272 56.048 -0.121 0.000 1.124 147 H CB 0.562 30.229 29.762 -0.158 0.000 1.850 147 H HN 0.040 nan 8.280 nan 0.000 0.549 148 Y N 0.388 120.686 120.300 -0.003 0.000 2.354 148 Y HA 0.355 4.891 4.550 -0.023 0.000 0.322 148 Y C 0.586 176.366 175.900 -0.199 0.000 1.253 148 Y CA -0.029 57.934 58.100 -0.229 0.000 1.272 148 Y CB 1.895 40.050 38.460 -0.508 0.000 1.255 148 Y HN 0.571 nan 8.280 nan 0.000 0.500 149 T N 2.359 116.833 114.554 -0.134 0.000 2.815 149 T HA 0.400 4.735 4.350 -0.025 0.000 0.289 149 T C -1.519 173.117 174.700 -0.106 0.000 1.000 149 T CA -0.666 61.403 62.100 -0.051 0.000 0.958 149 T CB -0.097 68.772 68.868 0.001 0.000 0.944 149 T HN 0.245 nan 8.240 nan 0.000 0.442 150 Y N 1.489 121.914 120.300 0.209 0.000 2.352 150 Y HA 0.680 5.217 4.550 -0.022 0.000 0.339 150 Y C 0.247 176.235 175.900 0.148 0.000 0.992 150 Y CA -1.042 57.234 58.100 0.293 0.000 1.100 150 Y CB 1.653 40.353 38.460 0.400 0.000 1.192 150 Y HN 0.780 nan 8.280 nan 0.000 0.458 151 A N 3.414 126.485 122.820 0.418 0.000 2.371 151 A HA 0.812 5.118 4.320 -0.025 0.000 0.311 151 A C -1.785 176.124 177.584 0.542 0.000 1.068 151 A CA -0.567 51.594 52.037 0.207 0.000 0.744 151 A CB 0.813 19.924 19.000 0.185 0.000 1.239 151 A HN 0.476 nan 8.150 nan 0.000 0.435 152 F N 2.033 122.002 119.950 0.033 0.000 2.421 152 F HA 0.745 5.257 4.527 -0.024 0.000 0.337 152 F C 0.527 176.381 175.800 0.090 0.000 1.105 152 F CA -1.120 56.957 58.000 0.129 0.000 1.049 152 F CB 1.706 40.756 39.000 0.083 0.000 1.139 152 F HN 0.713 nan 8.300 nan 0.000 0.479 153 M N 1.400 121.181 119.600 0.300 0.000 2.578 153 M HA 0.868 5.333 4.480 -0.025 0.000 0.276 153 M C -0.849 175.614 176.300 0.270 0.000 1.245 153 M CA -0.677 54.755 55.300 0.220 0.000 0.871 153 M CB 2.182 34.882 32.600 0.166 0.000 1.722 153 M HN 0.548 nan 8.290 nan 0.000 0.473 154 G N 0.085 109.043 108.800 0.263 0.000 3.175 154 G HA2 0.419 4.365 3.960 -0.025 0.000 0.255 154 G HA3 0.419 4.365 3.960 -0.025 0.000 0.255 154 G C -0.303 174.825 174.900 0.379 0.000 1.352 154 G CA -0.389 44.919 45.100 0.346 0.000 1.037 154 G HN 0.821 nan 8.290 nan 0.000 0.556 155 D N -0.105 120.538 120.400 0.404 0.000 2.144 155 D HA -0.109 4.516 4.640 -0.025 0.000 0.199 155 D C 2.434 178.751 176.300 0.028 0.000 0.984 155 D CA 1.569 55.766 54.000 0.328 0.000 0.834 155 D CB -0.296 40.722 40.800 0.364 0.000 0.955 155 D HN 0.410 nan 8.370 nan 0.000 0.465 156 G N 0.728 109.571 108.800 0.072 0.000 2.421 156 G HA2 -0.265 3.680 3.960 -0.025 0.000 0.216 156 G HA3 -0.265 3.680 3.960 -0.025 0.000 0.216 156 G C 1.961 176.851 174.900 -0.015 0.000 1.171 156 G CA 0.899 46.002 45.100 0.004 0.000 0.775 156 G HN 0.308 nan 8.290 nan 0.000 0.543 157 C N 0.640 119.964 119.300 0.041 0.000 2.429 157 C HA 0.017 4.462 4.460 -0.025 0.000 0.277 157 C C 2.990 177.970 174.990 -0.016 0.000 1.262 157 C CA 0.810 59.842 59.018 0.023 0.000 1.733 157 C CB -0.651 27.125 27.740 0.060 0.000 2.010 157 C HN 0.372 nan 8.230 nan 0.000 0.483 158 M N -0.099 119.472 119.600 -0.048 0.000 2.159 158 M HA -0.113 4.352 4.480 -0.025 0.000 0.263 158 M C 2.109 178.330 176.300 -0.132 0.000 1.063 158 M CA 1.679 56.941 55.300 -0.063 0.000 1.110 158 M CB -1.004 31.554 32.600 -0.070 0.000 1.374 158 M HN 0.439 nan 8.290 nan 0.000 0.411 159 M N -0.506 118.890 119.600 -0.339 0.000 2.254 159 M HA -0.082 4.383 4.480 -0.025 0.000 0.265 159 M C 0.484 176.710 176.300 -0.124 0.000 1.066 159 M CA 0.699 55.783 55.300 -0.361 0.000 1.123 159 M CB -0.136 32.186 32.600 -0.463 0.000 1.388 159 M HN 0.040 nan 8.290 nan 0.000 0.425 160 E N 0.494 120.650 120.200 -0.074 0.000 2.414 160 E HA -0.016 4.319 4.350 -0.025 0.000 0.263 160 E C 1.083 177.695 176.600 0.020 0.000 1.000 160 E CA 0.238 56.631 56.400 -0.012 0.000 0.914 160 E CB 0.804 30.504 29.700 0.001 0.000 0.948 160 E HN 0.334 nan 8.360 nan 0.000 0.444 161 G N 3.713 112.545 108.800 0.054 0.000 2.450 161 G HA2 -0.262 3.683 3.960 -0.025 0.000 0.220 161 G HA3 -0.262 3.683 3.960 -0.025 0.000 0.220 161 G C 1.447 176.398 174.900 0.084 0.000 1.130 161 G CA 0.267 45.421 45.100 0.091 0.000 0.760 161 G HN 0.623 nan 8.290 nan 0.000 0.557 162 I N 1.647 122.223 120.570 0.010 0.000 2.335 162 I HA -0.231 3.925 4.170 -0.025 0.000 0.251 162 I C 3.046 179.089 176.117 -0.123 0.000 1.129 162 I CA 1.682 62.889 61.300 -0.156 0.000 1.402 162 I CB -0.046 37.614 38.000 -0.568 0.000 1.069 162 I HN 0.352 nan 8.210 nan 0.000 0.424 163 S N -0.457 115.211 115.700 -0.055 0.000 2.382 163 S HA -0.336 4.119 4.470 -0.025 0.000 0.228 163 S C 2.045 176.598 174.600 -0.077 0.000 1.027 163 S CA 1.573 59.755 58.200 -0.029 0.000 0.991 163 S CB -0.781 62.445 63.200 0.044 0.000 0.823 163 S HN 0.711 nan 8.310 nan 0.000 0.469 164 H N 1.769 120.771 119.070 -0.113 0.000 2.353 164 H HA 0.026 4.569 4.556 -0.022 0.000 0.300 164 H C 2.008 177.158 175.328 -0.297 0.000 1.090 164 H CA 2.176 58.117 56.048 -0.179 0.000 1.327 164 H CB -0.464 29.286 29.762 -0.020 0.000 1.383 164 H HN 0.595 nan 8.280 nan 0.000 0.508 165 E N -0.276 119.734 120.200 -0.316 0.000 2.031 165 E HA -0.157 4.178 4.350 -0.025 0.000 0.193 165 E C 2.446 178.858 176.600 -0.312 0.000 0.994 165 E CA 1.900 58.101 56.400 -0.332 0.000 0.800 165 E CB -0.090 29.534 29.700 -0.127 0.000 0.752 165 E HN 0.535 nan 8.360 nan 0.000 0.447 166 V N -1.098 118.682 119.914 -0.224 0.000 2.591 166 V HA -0.121 3.985 4.120 -0.025 0.000 0.249 166 V C 2.176 178.202 176.094 -0.114 0.000 1.053 166 V CA 1.152 63.372 62.300 -0.133 0.000 1.068 166 V CB -0.589 31.190 31.823 -0.074 0.000 0.689 166 V HN 0.282 nan 8.190 nan 0.000 0.462 167 C N 0.461 119.620 119.300 -0.235 0.000 2.467 167 C HA 0.012 4.457 4.460 -0.025 0.000 0.279 167 C C 3.241 177.983 174.990 -0.413 0.000 1.347 167 C CA 1.254 60.175 59.018 -0.162 0.000 1.748 167 C CB -0.708 26.732 27.740 -0.501 0.000 1.977 167 C HN 0.738 nan 8.230 nan 0.000 0.501 168 S N 0.957 116.081 115.700 -0.960 0.000 2.348 168 S HA -0.170 4.285 4.470 -0.025 0.000 0.221 168 S C 1.818 176.258 174.600 -0.267 0.000 1.033 168 S CA 1.604 59.342 58.200 -0.769 0.000 1.010 168 S CB -0.385 62.322 63.200 -0.822 0.000 0.891 168 S HN 0.468 nan 8.310 nan 0.000 0.442 169 L N 1.898 122.987 121.223 -0.223 0.000 2.083 169 L HA 0.147 4.473 4.340 -0.025 0.000 0.209 169 L C 2.533 179.355 176.870 -0.080 0.000 1.083 169 L CA 2.014 56.782 54.840 -0.120 0.000 0.752 169 L CB -1.279 40.724 42.059 -0.094 0.000 0.899 169 L HN 0.364 nan 8.230 nan 0.000 0.433 170 A N -0.655 122.146 122.820 -0.032 0.000 1.940 170 A HA -0.100 4.205 4.320 -0.025 0.000 0.219 170 A C 2.334 179.843 177.584 -0.124 0.000 1.176 170 A CA 1.570 53.574 52.037 -0.054 0.000 0.631 170 A CB -1.490 17.538 19.000 0.046 0.000 0.814 170 A HN 0.525 nan 8.150 nan 0.000 0.446 171 G N -1.117 107.693 108.800 0.016 0.000 2.404 171 G HA2 -0.145 3.800 3.960 -0.025 0.000 0.215 171 G HA3 -0.145 3.800 3.960 -0.025 0.000 0.215 171 G C 1.572 176.455 174.900 -0.028 0.000 1.174 171 G CA 1.587 46.696 45.100 0.014 0.000 0.780 171 G HN 0.420 nan 8.290 nan 0.000 0.537 172 T N 1.377 115.913 114.554 -0.029 0.000 2.720 172 T HA -0.046 4.289 4.350 -0.025 0.000 0.268 172 T C 2.171 176.830 174.700 -0.068 0.000 1.037 172 T CA 0.838 62.913 62.100 -0.042 0.000 1.144 172 T CB -0.172 68.666 68.868 -0.051 0.000 0.864 172 T HN 0.144 nan 8.240 nan 0.000 0.444 173 L N 0.184 121.349 121.223 -0.096 0.000 2.591 173 L HA 0.217 4.542 4.340 -0.025 0.000 0.228 173 L C 0.472 177.264 176.870 -0.131 0.000 1.133 173 L CA 0.099 54.870 54.840 -0.115 0.000 0.880 173 L CB -0.343 41.634 42.059 -0.136 0.000 1.033 173 L HN 0.204 nan 8.230 nan 0.000 0.450 174 K N 1.119 121.436 120.400 -0.138 0.000 3.257 174 K HA -0.174 4.132 4.320 -0.025 0.000 0.270 174 K C -0.290 176.198 176.600 -0.187 0.000 0.984 174 K CA 0.287 56.484 56.287 -0.150 0.000 0.739 174 K CB -1.661 30.778 32.500 -0.103 0.000 1.351 174 K HN 0.331 nan 8.250 nan 0.000 0.463 175 L N 0.725 121.799 121.223 -0.247 0.000 2.382 175 L HA 0.053 4.378 4.340 -0.025 0.000 0.259 175 L C 1.866 178.571 176.870 -0.274 0.000 1.291 175 L CA 0.159 54.845 54.840 -0.257 0.000 1.176 175 L CB 0.121 42.020 42.059 -0.266 0.000 1.373 175 L HN 0.483 nan 8.230 nan 0.000 0.426 176 G N 1.366 110.033 108.800 -0.221 0.000 2.559 176 G HA2 -0.154 3.791 3.960 -0.025 0.000 0.216 176 G HA3 -0.154 3.791 3.960 -0.025 0.000 0.216 176 G C 1.369 176.161 174.900 -0.181 0.000 1.126 176 G CA 0.169 45.157 45.100 -0.186 0.000 0.778 176 G HN 0.506 nan 8.290 nan 0.000 0.543 177 K N -0.708 119.533 120.400 -0.265 0.000 2.372 177 K HA 0.247 4.552 4.320 -0.025 0.000 0.200 177 K C -0.250 176.241 176.600 -0.181 0.000 1.022 177 K CA -0.517 55.549 56.287 -0.369 0.000 1.125 177 K CB 0.512 32.612 32.500 -0.666 0.000 0.855 177 K HN 0.209 nan 8.250 nan 0.000 0.524 178 L N 1.755 122.873 121.223 -0.174 0.000 2.265 178 L HA 0.381 4.706 4.340 -0.025 0.000 0.288 178 L C -0.880 175.940 176.870 -0.083 0.000 1.058 178 L CA -0.197 54.563 54.840 -0.134 0.000 0.809 178 L CB 0.551 42.493 42.059 -0.194 0.000 1.179 178 L HN -0.003 nan 8.230 nan 0.000 0.429 179 I N 5.649 126.228 120.570 0.015 0.000 2.468 179 I HA 0.588 4.744 4.170 -0.025 0.000 0.285 179 I C -0.389 175.866 176.117 0.231 0.000 1.039 179 I CA -0.517 60.831 61.300 0.081 0.000 1.074 179 I CB 1.746 39.790 38.000 0.073 0.000 1.228 179 I HN 0.761 nan 8.210 nan 0.000 0.436 180 A N 6.365 129.328 122.820 0.238 0.000 2.337 180 A HA 0.858 5.163 4.320 -0.025 0.000 0.329 180 A C -1.203 176.463 177.584 0.135 0.000 1.146 180 A CA -0.296 51.942 52.037 0.335 0.000 0.800 180 A CB 0.622 19.857 19.000 0.392 0.000 1.220 180 A HN 0.502 nan 8.150 nan 0.000 0.472 181 F N 1.683 121.799 119.950 0.276 0.000 2.402 181 F HA 0.364 4.876 4.527 -0.027 0.000 0.355 181 F C -0.365 175.491 175.800 0.093 0.000 1.123 181 F CA -0.489 57.590 58.000 0.132 0.000 1.021 181 F CB 1.314 40.322 39.000 0.014 0.000 1.160 181 F HN 0.579 nan 8.300 nan 0.000 0.451 182 Y N 3.423 123.746 120.300 0.039 0.000 2.383 182 Y HA 0.278 4.814 4.550 -0.024 0.000 0.344 182 Y C -0.091 175.788 175.900 -0.034 0.000 0.986 182 Y CA -1.810 56.275 58.100 -0.024 0.000 1.175 182 Y CB 0.535 38.927 38.460 -0.114 0.000 1.152 182 Y HN 0.529 nan 8.280 nan 0.000 0.511 183 D N 4.821 125.191 120.400 -0.051 0.000 2.455 183 D HA 0.014 4.640 4.640 -0.025 0.000 0.234 183 D C -0.896 175.127 176.300 -0.461 0.000 1.224 183 D CA 0.164 54.035 54.000 -0.216 0.000 0.999 183 D CB -0.269 40.492 40.800 -0.065 0.000 1.072 183 D HN 0.479 nan 8.370 nan 0.000 0.514 184 D N 2.463 122.446 120.400 -0.696 0.000 2.517 184 D HA 0.017 4.642 4.640 -0.025 0.000 0.220 184 D C 0.523 176.646 176.300 -0.296 0.000 1.158 184 D CA -0.294 53.240 54.000 -0.777 0.000 0.992 184 D CB -0.172 40.163 40.800 -0.776 0.000 1.058 184 D HN 0.369 nan 8.370 nan 0.000 0.516 185 N N 1.638 120.251 118.700 -0.146 0.000 2.184 185 N HA 0.120 4.845 4.740 -0.025 0.000 0.206 185 N C 1.390 176.919 175.510 0.030 0.000 1.151 185 N CA 0.304 53.340 53.050 -0.023 0.000 0.878 185 N CB 0.387 38.892 38.487 0.031 0.000 1.014 185 N HN 0.271 nan 8.380 nan 0.000 0.512 186 G N -0.002 108.819 108.800 0.035 0.000 2.184 186 G HA2 -0.211 3.734 3.960 -0.025 0.000 0.264 186 G HA3 -0.211 3.734 3.960 -0.025 0.000 0.264 186 G C -0.448 174.502 174.900 0.083 0.000 0.975 186 G CA 0.572 45.710 45.100 0.063 0.000 0.642 186 G HN 0.322 nan 8.290 nan 0.000 0.536 187 I N 1.175 121.801 120.570 0.093 0.000 2.545 187 I HA 0.645 4.800 4.170 -0.025 0.000 0.292 187 I C 0.556 176.760 176.117 0.146 0.000 1.040 187 I CA -0.245 61.106 61.300 0.084 0.000 1.068 187 I CB 1.724 39.757 38.000 0.055 0.000 1.251 187 I HN 0.394 nan 8.210 nan 0.000 0.424 188 S N 5.313 121.133 115.700 0.198 0.000 2.851 188 S HA 0.618 5.073 4.470 -0.025 0.000 0.317 188 S C 1.046 175.652 174.600 0.009 0.000 1.144 188 S CA -0.741 57.531 58.200 0.119 0.000 0.862 188 S CB 1.474 64.828 63.200 0.256 0.000 1.259 188 S HN 0.445 nan 8.310 nan 0.000 0.564 189 I N 1.071 121.539 120.570 -0.169 0.000 2.286 189 I HA -0.144 4.011 4.170 -0.025 0.000 0.248 189 I C 1.322 177.340 176.117 -0.165 0.000 1.115 189 I CA 1.484 62.664 61.300 -0.200 0.000 1.392 189 I CB -0.420 37.441 38.000 -0.233 0.000 1.065 189 I HN 0.598 nan 8.210 nan 0.000 0.418 190 D N 0.552 120.817 120.400 -0.225 0.000 2.348 190 D HA 0.108 4.733 4.640 -0.025 0.000 0.216 190 D C 1.010 177.307 176.300 -0.005 0.000 0.970 190 D CA 1.069 54.869 54.000 -0.334 0.000 0.889 190 D CB 0.230 40.459 40.800 -0.952 0.000 0.912 190 D HN 0.526 nan 8.370 nan 0.000 0.524 191 G N -0.879 108.057 108.800 0.227 0.000 2.250 191 G HA2 -0.148 3.797 3.960 -0.025 0.000 0.196 191 G HA3 -0.148 3.797 3.960 -0.025 0.000 0.196 191 G C -0.952 174.086 174.900 0.229 0.000 1.308 191 G CA -0.907 44.315 45.100 0.203 0.000 1.207 191 G HN 0.125 nan 8.290 nan 0.000 0.505 192 H N 1.717 120.871 119.070 0.140 0.000 2.975 192 H HA 0.220 4.761 4.556 -0.025 0.000 0.303 192 H C 2.079 177.109 175.328 -0.498 0.000 1.023 192 H CA 0.830 56.832 56.048 -0.076 0.000 1.473 192 H CB 1.448 31.164 29.762 -0.076 0.000 1.498 192 H HN 0.843 nan 8.280 nan 0.000 0.549 193 V N 1.837 121.548 119.914 -0.338 0.000 2.913 193 V HA -0.204 3.901 4.120 -0.025 0.000 0.260 193 V C 1.806 177.331 176.094 -0.948 0.000 1.098 193 V CA 1.662 63.490 62.300 -0.788 0.000 1.121 193 V CB -0.601 31.163 31.823 -0.099 0.000 0.714 193 V HN 0.792 nan 8.190 nan 0.000 0.487 194 E N 2.000 121.877 120.200 -0.538 0.000 2.267 194 E HA -0.145 4.190 4.350 -0.025 0.000 0.197 194 E C 2.099 178.477 176.600 -0.369 0.000 0.998 194 E CA 1.558 57.739 56.400 -0.365 0.000 0.830 194 E CB -0.831 28.735 29.700 -0.223 0.000 0.751 194 E HN 0.601 nan 8.360 nan 0.000 0.491 195 G N 0.576 109.036 108.800 -0.566 0.000 2.534 195 G HA2 -0.140 3.805 3.960 -0.025 0.000 0.217 195 G HA3 -0.140 3.805 3.960 -0.025 0.000 0.217 195 G C 0.790 175.765 174.900 0.125 0.000 1.128 195 G CA 0.663 45.661 45.100 -0.170 0.000 0.784 195 G HN 0.668 nan 8.290 nan 0.000 0.542 196 W N -3.831 117.528 121.300 0.098 0.000 1.807 196 W HA 0.614 5.259 4.660 -0.026 0.000 0.251 196 W C -0.630 176.017 176.519 0.213 0.000 0.848 196 W CA -1.228 56.183 57.345 0.110 0.000 1.157 196 W CB 0.381 29.882 29.460 0.069 0.000 0.992 196 W HN -0.097 nan 8.180 nan 0.000 0.506 197 F N 3.752 123.606 119.950 -0.160 0.000 2.831 197 F HA 0.516 5.029 4.527 -0.024 0.000 0.346 197 F C 0.163 175.905 175.800 -0.096 0.000 1.224 197 F CA -1.261 56.705 58.000 -0.056 0.000 1.048 197 F CB 1.121 40.118 39.000 -0.006 0.000 1.339 197 F HN 0.051 nan 8.300 nan 0.000 0.514 198 T N -0.293 114.153 114.554 -0.181 0.000 3.209 198 T HA 0.228 4.563 4.350 -0.025 0.000 0.295 198 T C -0.228 174.308 174.700 -0.274 0.000 0.977 198 T CA -0.351 61.597 62.100 -0.255 0.000 0.922 198 T CB -0.343 68.452 68.868 -0.121 0.000 1.152 198 T HN 0.245 nan 8.240 nan 0.000 0.527 199 D N 3.162 123.351 120.400 -0.352 0.000 2.506 199 D HA 0.111 4.736 4.640 -0.025 0.000 0.234 199 D C 0.052 176.217 176.300 -0.226 0.000 1.143 199 D CA 0.390 54.264 54.000 -0.211 0.000 0.871 199 D CB 0.448 41.187 40.800 -0.102 0.000 1.190 199 D HN 0.232 nan 8.370 nan 0.000 0.459 200 D N 1.328 121.650 120.400 -0.131 0.000 2.455 200 D HA 0.017 4.642 4.640 -0.025 0.000 0.234 200 D C 0.604 176.857 176.300 -0.077 0.000 1.224 200 D CA -0.018 53.920 54.000 -0.103 0.000 0.999 200 D CB 0.186 40.940 40.800 -0.078 0.000 1.072 200 D HN 0.126 nan 8.370 nan 0.000 0.514 201 T N 1.934 116.442 114.554 -0.078 0.000 2.788 201 T HA -0.122 4.213 4.350 -0.025 0.000 0.268 201 T C 1.853 176.554 174.700 0.002 0.000 1.044 201 T CA 1.360 63.444 62.100 -0.026 0.000 1.139 201 T CB 0.056 68.877 68.868 -0.078 0.000 0.867 201 T HN 0.519 nan 8.240 nan 0.000 0.454 202 A N 1.565 124.368 122.820 -0.027 0.000 1.883 202 A HA -0.089 4.216 4.320 -0.025 0.000 0.217 202 A C 2.312 179.892 177.584 -0.007 0.000 1.186 202 A CA 1.869 53.894 52.037 -0.020 0.000 0.624 202 A CB -0.743 18.238 19.000 -0.031 0.000 0.822 202 A HN 0.511 nan 8.150 nan 0.000 0.444 203 M N -0.849 118.730 119.600 -0.035 0.000 2.159 203 M HA -0.170 4.295 4.480 -0.025 0.000 0.263 203 M C 2.348 178.584 176.300 -0.107 0.000 1.063 203 M CA 2.037 57.303 55.300 -0.056 0.000 1.110 203 M CB -0.214 32.350 32.600 -0.060 0.000 1.374 203 M HN 0.525 nan 8.290 nan 0.000 0.411 204 R N -0.304 120.118 120.500 -0.130 0.000 2.083 204 R HA -0.186 4.139 4.340 -0.025 0.000 0.237 204 R C 1.783 177.719 176.300 -0.607 0.000 1.137 204 R CA 2.054 57.958 56.100 -0.326 0.000 0.951 204 R CB -0.507 29.663 30.300 -0.217 0.000 0.851 204 R HN 0.367 nan 8.270 nan 0.000 0.434 205 F N 1.303 120.978 119.950 -0.458 0.000 2.259 205 F HA -0.015 4.497 4.527 -0.026 0.000 0.298 205 F C 2.212 177.939 175.800 -0.121 0.000 1.088 205 F CA 1.215 58.978 58.000 -0.395 0.000 1.358 205 F CB -0.122 38.666 39.000 -0.353 0.000 1.040 205 F HN 0.144 nan 8.300 nan 0.000 0.505 206 E N -0.063 120.168 120.200 0.051 0.000 2.110 206 E HA -0.194 4.141 4.350 -0.025 0.000 0.193 206 E C 2.385 178.998 176.600 0.022 0.000 0.988 206 E CA 0.980 57.419 56.400 0.065 0.000 0.804 206 E CB -0.297 29.416 29.700 0.022 0.000 0.745 206 E HN 0.350 nan 8.360 nan 0.000 0.458 207 A N 0.496 123.250 122.820 -0.109 0.000 2.019 207 A HA -0.175 4.131 4.320 -0.025 0.000 0.219 207 A C 1.378 178.975 177.584 0.022 0.000 1.164 207 A CA 1.134 53.109 52.037 -0.103 0.000 0.644 207 A CB -0.499 18.374 19.000 -0.211 0.000 0.805 207 A HN 0.262 nan 8.150 nan 0.000 0.449 208 Y N -0.927 119.381 120.300 0.014 0.000 2.546 208 Y HA 0.328 4.867 4.550 -0.019 0.000 0.287 208 Y C 1.884 177.915 175.900 0.218 0.000 1.158 208 Y CA -0.239 57.901 58.100 0.067 0.000 1.307 208 Y CB -0.671 37.758 38.460 -0.053 0.000 1.036 208 Y HN 0.446 nan 8.280 nan 0.000 0.532 209 G N -1.610 107.395 108.800 0.341 0.000 2.132 209 G HA2 -0.259 3.687 3.960 -0.025 0.000 0.228 209 G HA3 -0.259 3.687 3.960 -0.025 0.000 0.228 209 G C -0.347 174.747 174.900 0.324 0.000 1.000 209 G CA -0.371 44.884 45.100 0.259 0.000 0.693 209 G HN 0.192 nan 8.290 nan 0.000 0.515 210 W N 0.172 121.565 121.300 0.155 0.000 2.303 210 W HA 0.617 5.260 4.660 -0.028 0.000 0.334 210 W C 0.794 177.409 176.519 0.160 0.000 1.197 210 W CA -0.861 56.598 57.345 0.191 0.000 1.262 210 W CB 0.528 30.179 29.460 0.319 0.000 1.153 210 W HN 0.176 nan 8.180 nan 0.000 0.596 211 H N 2.292 121.521 119.070 0.266 0.000 2.723 211 H HA 0.361 4.901 4.556 -0.025 0.000 0.294 211 H C -0.975 174.472 175.328 0.198 0.000 1.079 211 H CA 0.016 56.166 56.048 0.169 0.000 1.411 211 H CB 0.551 30.359 29.762 0.077 0.000 1.439 211 H HN 0.096 nan 8.280 nan 0.000 0.474 212 V N 8.076 127.884 119.914 -0.176 0.000 2.435 212 V HA 0.259 4.364 4.120 -0.025 0.000 0.290 212 V C 0.447 176.431 176.094 -0.185 0.000 1.030 212 V CA -0.711 61.542 62.300 -0.077 0.000 0.881 212 V CB 1.681 33.493 31.823 -0.019 0.000 0.983 212 V HN 0.622 nan 8.190 nan 0.000 0.445 213 I N 5.172 125.700 120.570 -0.069 0.000 2.354 213 I HA 0.490 4.645 4.170 -0.025 0.000 0.286 213 I C 0.355 176.449 176.117 -0.038 0.000 1.007 213 I CA -0.438 60.834 61.300 -0.045 0.000 1.167 213 I CB 1.156 39.162 38.000 0.010 0.000 1.320 213 I HN 0.521 nan 8.210 nan 0.000 0.458 214 R N 4.580 125.056 120.500 -0.040 0.000 2.528 214 R HA 0.258 4.583 4.340 -0.025 0.000 0.271 214 R C -0.231 176.052 176.300 -0.028 0.000 1.056 214 R CA -0.572 55.508 56.100 -0.034 0.000 1.117 214 R CB 0.498 30.777 30.300 -0.035 0.000 1.085 214 R HN 0.568 nan 8.270 nan 0.000 0.530 215 D N 0.833 121.213 120.400 -0.034 0.000 2.723 215 D HA -0.193 4.432 4.640 -0.025 0.000 0.236 215 D C -0.528 175.754 176.300 -0.029 0.000 1.138 215 D CA 0.966 54.946 54.000 -0.033 0.000 0.676 215 D CB -1.101 39.684 40.800 -0.024 0.000 1.069 215 D HN 0.401 nan 8.370 nan 0.000 0.430 216 I N 0.819 121.367 120.570 -0.037 0.000 2.496 216 I HA -0.003 4.152 4.170 -0.025 0.000 0.285 216 I C 1.106 177.192 176.117 -0.052 0.000 1.080 216 I CA -0.155 61.126 61.300 -0.032 0.000 1.404 216 I CB 0.638 38.623 38.000 -0.026 0.000 1.403 216 I HN -0.165 nan 8.210 nan 0.000 0.539 217 D N 5.792 126.170 120.400 -0.037 0.000 2.359 217 D HA 0.065 4.690 4.640 -0.025 0.000 0.250 217 D C 1.204 177.440 176.300 -0.107 0.000 1.264 217 D CA -0.064 53.908 54.000 -0.047 0.000 0.911 217 D CB 1.226 42.026 40.800 -0.001 0.000 1.056 217 D HN 0.706 nan 8.370 nan 0.000 0.499 218 G N 2.940 111.603 108.800 -0.228 0.000 2.708 218 G HA2 -0.179 3.766 3.960 -0.025 0.000 0.210 218 G HA3 -0.179 3.766 3.960 -0.025 0.000 0.210 218 G C 0.889 175.448 174.900 -0.569 0.000 1.141 218 G CA 0.287 45.159 45.100 -0.379 0.000 0.788 218 G HN 0.607 nan 8.290 nan 0.000 0.531 219 H N -0.638 118.352 119.070 -0.134 0.000 2.528 219 H HA 0.182 4.724 4.556 -0.024 0.000 0.282 219 H C -0.686 174.568 175.328 -0.124 0.000 1.097 219 H CA -0.375 55.535 56.048 -0.230 0.000 1.121 219 H CB 0.942 30.510 29.762 -0.324 0.000 1.590 219 H HN 0.344 nan 8.280 nan 0.000 0.553 220 D N 0.197 120.592 120.400 -0.008 0.000 2.462 220 D HA 0.402 5.027 4.640 -0.025 0.000 0.245 220 D C 1.145 177.451 176.300 0.010 0.000 1.122 220 D CA -0.337 53.672 54.000 0.015 0.000 0.864 220 D CB 1.145 41.961 40.800 0.027 0.000 1.098 220 D HN 0.092 nan 8.370 nan 0.000 0.541 221 A N 3.682 126.511 122.820 0.014 0.000 1.917 221 A HA -0.118 4.187 4.320 -0.025 0.000 0.219 221 A C 2.180 179.793 177.584 0.048 0.000 1.182 221 A CA 2.068 54.121 52.037 0.027 0.000 0.633 221 A CB -0.812 18.197 19.000 0.016 0.000 0.819 221 A HN 0.663 nan 8.150 nan 0.000 0.448 222 A N -0.742 122.103 122.820 0.041 0.000 1.902 222 A HA -0.084 4.222 4.320 -0.025 0.000 0.217 222 A C 2.461 180.079 177.584 0.056 0.000 1.181 222 A CA 2.155 54.221 52.037 0.049 0.000 0.623 222 A CB -0.899 18.124 19.000 0.037 0.000 0.818 222 A HN 0.477 nan 8.150 nan 0.000 0.443 223 S N -0.148 115.578 115.700 0.043 0.000 2.356 223 S HA -0.122 4.333 4.470 -0.025 0.000 0.223 223 S C 1.807 176.438 174.600 0.051 0.000 1.032 223 S CA 1.532 59.755 58.200 0.039 0.000 1.005 223 S CB -0.519 62.693 63.200 0.021 0.000 0.867 223 S HN 0.542 nan 8.310 nan 0.000 0.449 224 I N 1.509 122.114 120.570 0.059 0.000 2.179 224 I HA -0.226 3.930 4.170 -0.025 0.000 0.242 224 I C 2.510 178.707 176.117 0.132 0.000 1.088 224 I CA 1.301 62.659 61.300 0.097 0.000 1.357 224 I CB -0.282 37.778 38.000 0.099 0.000 1.051 224 I HN 0.223 nan 8.210 nan 0.000 0.409 225 K N 1.099 121.595 120.400 0.160 0.000 2.057 225 K HA -0.176 4.130 4.320 -0.025 0.000 0.207 225 K C 2.364 179.074 176.600 0.184 0.000 1.049 225 K CA 1.368 57.808 56.287 0.255 0.000 0.931 225 K CB -0.028 32.618 32.500 0.244 0.000 0.714 225 K HN 0.172 nan 8.250 nan 0.000 0.440 226 R N -0.083 120.487 120.500 0.118 0.000 2.091 226 R HA -0.127 4.198 4.340 -0.025 0.000 0.238 226 R C 2.383 178.715 176.300 0.053 0.000 1.136 226 R CA 1.309 57.461 56.100 0.085 0.000 0.959 226 R CB -0.351 29.988 30.300 0.064 0.000 0.856 226 R HN 0.268 nan 8.270 nan 0.000 0.437 227 A N 0.591 123.433 122.820 0.038 0.000 1.877 227 A HA -0.117 4.188 4.320 -0.025 0.000 0.216 227 A C 2.348 179.899 177.584 -0.055 0.000 1.186 227 A CA 1.428 53.469 52.037 0.005 0.000 0.620 227 A CB -0.536 18.466 19.000 0.003 0.000 0.822 227 A HN 0.121 nan 8.150 nan 0.000 0.443 228 V N 0.166 120.015 119.914 -0.107 0.000 2.343 228 V HA -0.283 3.822 4.120 -0.025 0.000 0.247 228 V C 2.381 178.293 176.094 -0.303 0.000 1.051 228 V CA 2.313 64.427 62.300 -0.310 0.000 1.036 228 V CB -0.952 30.475 31.823 -0.660 0.000 0.654 228 V HN 0.642 nan 8.190 nan 0.000 0.451 229 E N -0.093 120.026 120.200 -0.135 0.000 2.085 229 E HA -0.284 4.051 4.350 -0.025 0.000 0.194 229 E C 2.279 178.872 176.600 -0.012 0.000 0.994 229 E CA 1.498 57.902 56.400 0.006 0.000 0.801 229 E CB -0.152 29.625 29.700 0.129 0.000 0.743 229 E HN 0.721 nan 8.360 nan 0.000 0.453 230 E N 0.645 120.838 120.200 -0.011 0.000 2.051 230 E HA -0.223 4.112 4.350 -0.025 0.000 0.192 230 E C 2.051 178.607 176.600 -0.074 0.000 0.991 230 E CA 1.079 57.470 56.400 -0.015 0.000 0.799 230 E CB -0.084 29.642 29.700 0.042 0.000 0.748 230 E HN 0.228 nan 8.360 nan 0.000 0.449 231 A N 1.085 123.866 122.820 -0.066 0.000 1.933 231 A HA -0.160 4.145 4.320 -0.025 0.000 0.218 231 A C 2.148 179.695 177.584 -0.062 0.000 1.175 231 A CA 1.452 53.445 52.037 -0.073 0.000 0.628 231 A CB -0.427 18.528 19.000 -0.074 0.000 0.814 231 A HN 0.192 nan 8.150 nan 0.000 0.444 232 R N -0.648 119.813 120.500 -0.065 0.000 2.148 232 R HA 0.042 4.367 4.340 -0.025 0.000 0.223 232 R C 2.217 178.545 176.300 0.047 0.000 1.088 232 R CA 0.915 57.021 56.100 0.009 0.000 0.985 232 R CB -0.309 29.954 30.300 -0.062 0.000 0.880 232 R HN 0.496 nan 8.270 nan 0.000 0.451 233 A N 0.696 123.510 122.820 -0.011 0.000 2.119 233 A HA 0.032 4.337 4.320 -0.025 0.000 0.216 233 A C 0.847 178.393 177.584 -0.063 0.000 1.152 233 A CA 0.404 52.430 52.037 -0.019 0.000 0.708 233 A CB 0.364 19.350 19.000 -0.024 0.000 0.805 233 A HN 0.025 nan 8.150 nan 0.000 0.460 234 V N 1.798 121.637 119.914 -0.124 0.000 2.353 234 V HA 0.165 4.270 4.120 -0.025 0.000 0.264 234 V C 1.441 177.479 176.094 -0.095 0.000 1.049 234 V CA 0.628 62.827 62.300 -0.169 0.000 0.896 234 V CB 0.490 32.094 31.823 -0.365 0.000 1.025 234 V HN 0.601 nan 8.190 nan 0.000 0.475 235 T N -0.924 113.587 114.554 -0.071 0.000 3.060 235 T HA 0.014 4.350 4.350 -0.025 0.000 0.249 235 T C 0.769 175.416 174.700 -0.088 0.000 1.079 235 T CA 0.530 62.590 62.100 -0.067 0.000 1.013 235 T CB -0.074 68.764 68.868 -0.050 0.000 0.975 235 T HN 0.681 nan 8.240 nan 0.000 0.518 236 D N -0.013 120.337 120.400 -0.083 0.000 2.469 236 D HA 0.253 4.878 4.640 -0.025 0.000 0.215 236 D C 0.122 176.367 176.300 -0.092 0.000 1.154 236 D CA -0.384 53.568 54.000 -0.080 0.000 0.832 236 D CB 0.231 40.999 40.800 -0.053 0.000 1.008 236 D HN 0.325 nan 8.370 nan 0.000 0.506 237 K N 0.680 121.013 120.400 -0.112 0.000 2.527 237 K HA 0.405 4.710 4.320 -0.025 0.000 0.260 237 K C -2.975 173.479 176.600 -0.243 0.000 0.937 237 K CA -1.888 54.312 56.287 -0.145 0.000 0.826 237 K CB 3.073 35.559 32.500 -0.023 0.000 1.359 237 K HN -0.155 nan 8.250 nan 0.000 0.434 238 P HA 0.095 nan 4.420 nan 0.000 0.272 238 P C -0.858 176.196 177.300 -0.411 0.000 1.223 238 P CA -0.312 62.350 63.100 -0.731 0.000 0.784 238 P CB 0.943 31.662 31.700 -1.634 0.000 0.923 239 S N 1.183 116.817 115.700 -0.110 0.000 2.482 239 S HA 0.524 4.979 4.470 -0.025 0.000 0.303 239 S C -0.535 174.332 174.600 0.445 0.000 1.091 239 S CA -0.499 57.842 58.200 0.235 0.000 1.057 239 S CB 0.811 64.082 63.200 0.117 0.000 1.031 239 S HN 0.377 nan 8.310 nan 0.000 0.485 240 L N 3.700 125.179 121.223 0.426 0.000 2.325 240 L HA 0.612 4.937 4.340 -0.025 0.000 0.281 240 L C -1.746 175.124 176.870 0.000 0.000 1.004 240 L CA -0.539 54.392 54.840 0.151 0.000 0.823 240 L CB 0.928 42.901 42.059 -0.144 0.000 1.236 240 L HN 0.479 nan 8.230 nan 0.000 0.415 241 L N 6.130 127.301 121.223 -0.086 0.000 2.262 241 L HA 0.463 4.788 4.340 -0.025 0.000 0.288 241 L C -0.085 176.769 176.870 -0.026 0.000 1.035 241 L CA 0.176 54.952 54.840 -0.107 0.000 0.820 241 L CB 1.182 43.068 42.059 -0.289 0.000 1.204 241 L HN 0.608 nan 8.230 nan 0.000 0.424 242 M N 3.396 122.987 119.600 -0.016 0.000 2.201 242 M HA 0.214 4.679 4.480 -0.025 0.000 0.345 242 M C -0.829 175.427 176.300 -0.073 0.000 1.352 242 M CA 0.002 55.301 55.300 -0.001 0.000 1.218 242 M CB 0.237 32.850 32.600 0.022 0.000 1.512 242 M HN 0.502 nan 8.290 nan 0.000 0.447 243 C N 4.403 123.631 119.300 -0.120 0.000 2.225 243 C HA 0.306 4.751 4.460 -0.025 0.000 0.328 243 C C 0.561 175.418 174.990 -0.221 0.000 1.187 243 C CA -1.284 57.648 59.018 -0.144 0.000 1.665 243 C CB -0.339 27.331 27.740 -0.117 0.000 2.253 243 C HN 0.584 nan 8.230 nan 0.000 0.497 244 K N 3.422 123.715 120.400 -0.178 0.000 2.338 244 K HA 0.312 4.617 4.320 -0.025 0.000 0.290 244 K C 0.548 177.035 176.600 -0.188 0.000 1.069 244 K CA 0.381 56.572 56.287 -0.158 0.000 0.941 244 K CB 0.490 32.937 32.500 -0.088 0.000 1.023 244 K HN 0.872 nan 8.250 nan 0.000 0.477 245 T N -0.488 113.971 114.554 -0.158 0.000 2.916 245 T HA 0.665 5.000 4.350 -0.025 0.000 0.292 245 T C 0.176 174.981 174.700 0.176 0.000 1.064 245 T CA -0.927 61.104 62.100 -0.115 0.000 1.011 245 T CB 1.161 69.913 68.868 -0.193 0.000 1.152 245 T HN 0.338 nan 8.240 nan 0.000 0.510 246 I N 1.842 122.723 120.570 0.518 0.000 2.328 246 I HA 0.375 4.530 4.170 -0.025 0.000 0.287 246 I C 0.334 176.611 176.117 0.267 0.000 1.012 246 I CA -1.032 60.464 61.300 0.326 0.000 1.195 246 I CB 1.283 39.463 38.000 0.299 0.000 1.350 246 I HN 0.658 nan 8.210 nan 0.000 0.464 247 I N 6.367 127.037 120.570 0.166 0.000 2.775 247 I HA 0.054 4.210 4.170 -0.025 0.000 0.290 247 I C 1.391 177.582 176.117 0.123 0.000 1.203 247 I CA 1.129 62.516 61.300 0.145 0.000 1.433 247 I CB 0.489 38.569 38.000 0.135 0.000 1.354 247 I HN 0.949 nan 8.210 nan 0.000 0.579 248 G N 5.839 114.709 108.800 0.117 0.000 2.179 248 G HA2 -0.352 3.593 3.960 -0.025 0.000 0.257 248 G HA3 -0.352 3.593 3.960 -0.025 0.000 0.257 248 G C 0.266 175.208 174.900 0.070 0.000 1.010 248 G CA 0.128 45.271 45.100 0.071 0.000 0.736 248 G HN 0.719 nan 8.290 nan 0.000 0.513 249 F N 0.852 120.776 119.950 -0.042 0.000 2.579 249 F HA 0.313 4.826 4.527 -0.024 0.000 0.397 249 F C 1.555 177.288 175.800 -0.113 0.000 1.027 249 F CA 2.031 59.954 58.000 -0.129 0.000 1.217 249 F CB 0.241 39.086 39.000 -0.259 0.000 0.986 249 F HN 1.078 nan 8.300 nan 0.000 0.551 250 G N 2.964 111.450 108.800 -0.523 0.000 2.391 250 G HA2 -0.226 3.719 3.960 -0.025 0.000 0.204 250 G HA3 -0.226 3.719 3.960 -0.025 0.000 0.204 250 G C 0.316 175.091 174.900 -0.207 0.000 1.012 250 G CA -0.034 44.877 45.100 -0.315 0.000 0.651 250 G HN 1.039 nan 8.290 nan 0.000 0.494 251 S N 2.918 118.524 115.700 -0.157 0.000 2.422 251 S HA 0.535 4.990 4.470 -0.025 0.000 0.283 251 S C -0.085 174.442 174.600 -0.121 0.000 1.163 251 S CA -0.527 57.608 58.200 -0.108 0.000 1.054 251 S CB 1.443 64.600 63.200 -0.072 0.000 0.967 251 S HN 0.207 nan 8.310 nan 0.000 0.499 252 P HA -0.081 nan 4.420 nan 0.000 0.218 252 P C 0.532 177.789 177.300 -0.073 0.000 1.148 252 P CA 1.241 64.283 63.100 -0.096 0.000 0.822 252 P CB 0.103 31.759 31.700 -0.074 0.000 0.784 253 N N -0.844 117.820 118.700 -0.060 0.000 2.322 253 N HA 0.056 4.781 4.740 -0.025 0.000 0.181 253 N C 1.310 176.790 175.510 -0.050 0.000 1.088 253 N CA 0.454 53.475 53.050 -0.047 0.000 0.885 253 N CB 0.425 38.888 38.487 -0.039 0.000 1.013 253 N HN 0.302 nan 8.380 nan 0.000 0.472 254 K N 0.234 120.601 120.400 -0.056 0.000 2.412 254 K HA 0.308 4.613 4.320 -0.025 0.000 0.202 254 K C 0.294 176.867 176.600 -0.044 0.000 1.102 254 K CA -0.189 56.065 56.287 -0.056 0.000 1.027 254 K CB 1.279 33.745 32.500 -0.056 0.000 0.931 254 K HN -0.051 nan 8.250 nan 0.000 0.557 255 A N 1.094 123.884 122.820 -0.051 0.000 2.540 255 A HA 0.380 4.685 4.320 -0.025 0.000 0.239 255 A C 1.208 178.787 177.584 -0.009 0.000 1.061 255 A CA 1.072 53.087 52.037 -0.036 0.000 0.758 255 A CB -0.521 18.419 19.000 -0.099 0.000 0.991 255 A HN 0.542 nan 8.150 nan 0.000 0.502 256 G N 1.435 110.252 108.800 0.028 0.000 2.148 256 G HA2 -0.120 3.825 3.960 -0.025 0.000 0.254 256 G HA3 -0.120 3.825 3.960 -0.025 0.000 0.254 256 G C 0.452 175.364 174.900 0.021 0.000 0.981 256 G CA 1.281 46.409 45.100 0.046 0.000 0.670 256 G HN 2.356 nan 8.290 nan 0.000 0.528 257 T N -3.512 111.036 114.554 -0.010 0.000 2.908 257 T HA 0.600 4.936 4.350 -0.025 0.000 0.290 257 T C 1.103 175.773 174.700 -0.050 0.000 1.034 257 T CA 0.391 62.454 62.100 -0.062 0.000 1.010 257 T CB 1.404 70.201 68.868 -0.118 0.000 1.068 257 T HN 0.895 nan 8.240 nan 0.000 0.481 258 H N 0.356 119.412 119.070 -0.023 0.000 2.489 258 H HA 0.019 4.560 4.556 -0.025 0.000 0.293 258 H C 0.928 176.300 175.328 0.074 0.000 1.066 258 H CA 1.737 57.802 56.048 0.028 0.000 1.305 258 H CB -0.616 29.150 29.762 0.006 0.000 1.386 258 H HN 0.686 nan 8.280 nan 0.000 0.551 259 D N 0.500 120.615 120.400 -0.475 0.000 2.182 259 D HA -0.180 4.445 4.640 -0.025 0.000 0.201 259 D C 2.149 178.411 176.300 -0.063 0.000 0.986 259 D CA 1.927 55.768 54.000 -0.265 0.000 0.847 259 D CB -0.153 40.477 40.800 -0.282 0.000 0.942 259 D HN 0.638 nan 8.370 nan 0.000 0.467 260 S N -0.794 114.890 115.700 -0.025 0.000 2.522 260 S HA -0.118 4.337 4.470 -0.025 0.000 0.227 260 S C 1.776 176.421 174.600 0.075 0.000 0.986 260 S CA 0.465 58.675 58.200 0.016 0.000 0.929 260 S CB -0.323 62.889 63.200 0.020 0.000 0.769 260 S HN 0.400 nan 8.310 nan 0.000 0.529 261 H N 2.102 121.206 119.070 0.057 0.000 2.321 261 H HA 0.123 4.664 4.556 -0.025 0.000 0.300 261 H C 1.563 176.978 175.328 0.144 0.000 1.087 261 H CA 1.985 58.107 56.048 0.123 0.000 1.319 261 H CB -0.607 29.229 29.762 0.124 0.000 1.379 261 H HN 0.475 nan 8.280 nan 0.000 0.501 262 G N -1.633 107.054 108.800 -0.189 0.000 4.530 262 G HA2 0.575 4.521 3.960 -0.025 0.000 0.284 262 G HA3 0.575 4.521 3.960 -0.025 0.000 0.284 262 G C -0.738 173.940 174.900 -0.370 0.000 1.008 262 G CA 0.260 45.071 45.100 -0.482 0.000 0.770 262 G HN 0.655 nan 8.290 nan 0.000 0.424 263 A N 0.136 122.842 122.820 -0.191 0.000 2.556 263 A HA 0.903 5.208 4.320 -0.025 0.000 0.294 263 A C -3.114 174.423 177.584 -0.078 0.000 1.091 263 A CA -1.418 50.545 52.037 -0.123 0.000 0.704 263 A CB 1.387 20.351 19.000 -0.061 0.000 1.300 263 A HN -0.018 nan 8.150 nan 0.000 0.406 264 P HA 0.107 nan 4.420 nan 0.000 0.265 264 P C 0.759 178.043 177.300 -0.027 0.000 1.187 264 P CA 0.079 63.165 63.100 -0.023 0.000 0.766 264 P CB 0.386 32.083 31.700 -0.004 0.000 0.820 265 L N 1.602 122.808 121.223 -0.028 0.000 2.201 265 L HA 0.054 4.379 4.340 -0.025 0.000 0.212 265 L C 1.207 178.062 176.870 -0.025 0.000 1.105 265 L CA 1.219 56.040 54.840 -0.031 0.000 0.775 265 L CB -1.004 41.033 42.059 -0.036 0.000 0.913 265 L HN 0.740 nan 8.230 nan 0.000 0.440 266 G N -0.277 108.513 108.800 -0.017 0.000 2.712 266 G HA2 -0.182 3.763 3.960 -0.025 0.000 0.686 266 G HA3 -0.182 3.763 3.960 -0.025 0.000 0.686 266 G C -0.150 174.744 174.900 -0.011 0.000 1.181 266 G CA -0.288 44.805 45.100 -0.011 0.000 0.762 266 G HN 0.084 nan 8.290 nan 0.000 0.641 267 D N 0.601 120.999 120.400 -0.004 0.000 2.117 267 D HA -0.104 4.521 4.640 -0.025 0.000 0.197 267 D C 2.748 179.045 176.300 -0.005 0.000 0.987 267 D CA 1.926 55.926 54.000 -0.001 0.000 0.829 267 D CB -0.217 40.587 40.800 0.007 0.000 0.961 267 D HN 0.841 nan 8.370 nan 0.000 0.460 268 A N 1.135 123.951 122.820 -0.006 0.000 1.877 268 A HA -0.223 4.082 4.320 -0.025 0.000 0.216 268 A C 2.164 179.739 177.584 -0.014 0.000 1.186 268 A CA 1.842 53.874 52.037 -0.009 0.000 0.620 268 A CB -0.484 18.511 19.000 -0.009 0.000 0.822 268 A HN 0.106 nan 8.150 nan 0.000 0.443 269 E N 0.105 120.294 120.200 -0.018 0.000 2.106 269 E HA -0.081 4.254 4.350 -0.025 0.000 0.192 269 E C 1.699 178.283 176.600 -0.027 0.000 0.984 269 E CA 1.042 57.426 56.400 -0.026 0.000 0.806 269 E CB -0.377 29.305 29.700 -0.030 0.000 0.750 269 E HN 0.639 nan 8.360 nan 0.000 0.458 270 I N 0.259 120.814 120.570 -0.024 0.000 2.208 270 I HA -0.301 3.855 4.170 -0.025 0.000 0.245 270 I C 2.307 178.418 176.117 -0.010 0.000 1.097 270 I CA 1.085 62.370 61.300 -0.025 0.000 1.363 270 I CB -0.396 37.587 38.000 -0.028 0.000 1.051 270 I HN 0.189 nan 8.210 nan 0.000 0.413 271 A N 0.922 123.739 122.820 -0.005 0.000 1.908 271 A HA -0.175 4.130 4.320 -0.025 0.000 0.218 271 A C 2.277 179.860 177.584 -0.003 0.000 1.181 271 A CA 1.459 53.497 52.037 0.001 0.000 0.627 271 A CB -0.857 18.143 19.000 -0.001 0.000 0.818 271 A HN 0.397 nan 8.150 nan 0.000 0.445 272 L N -0.791 120.424 121.223 -0.013 0.000 2.141 272 L HA -0.144 4.181 4.340 -0.025 0.000 0.209 272 L C 2.728 179.583 176.870 -0.025 0.000 1.094 272 L CA 1.627 56.454 54.840 -0.021 0.000 0.763 272 L CB -0.827 41.215 42.059 -0.029 0.000 0.908 272 L HN 0.350 nan 8.230 nan 0.000 0.437 273 T N -0.861 113.677 114.554 -0.026 0.000 2.777 273 T HA -0.146 4.189 4.350 -0.025 0.000 0.266 273 T C 2.043 176.746 174.700 0.004 0.000 1.040 273 T CA 0.995 63.076 62.100 -0.032 0.000 1.141 273 T CB -0.137 68.705 68.868 -0.042 0.000 0.868 273 T HN 0.249 nan 8.240 nan 0.000 0.444 274 R N 0.898 121.419 120.500 0.035 0.000 2.103 274 R HA -0.133 4.192 4.340 -0.025 0.000 0.242 274 R C 2.529 178.871 176.300 0.071 0.000 1.142 274 R CA 1.667 57.827 56.100 0.101 0.000 0.960 274 R CB -0.210 30.156 30.300 0.111 0.000 0.858 274 R HN 0.552 nan 8.270 nan 0.000 0.439 275 E N 0.117 120.332 120.200 0.024 0.000 2.072 275 E HA -0.249 4.086 4.350 -0.025 0.000 0.191 275 E C 2.078 178.678 176.600 0.000 0.000 0.985 275 E CA 1.094 57.497 56.400 0.005 0.000 0.801 275 E CB -0.011 29.683 29.700 -0.010 0.000 0.750 275 E HN 0.334 nan 8.360 nan 0.000 0.452 276 Q N 0.616 120.407 119.800 -0.015 0.000 2.084 276 Q HA -0.135 4.191 4.340 -0.025 0.000 0.202 276 Q C 1.988 177.983 176.000 -0.010 0.000 0.978 276 Q CA 1.063 56.843 55.803 -0.038 0.000 0.844 276 Q CB 0.081 28.766 28.738 -0.089 0.000 0.898 276 Q HN 0.279 nan 8.270 nan 0.000 0.426 277 L N -0.809 120.433 121.223 0.033 0.000 2.492 277 L HA 0.155 4.480 4.340 -0.025 0.000 0.223 277 L C 1.201 178.156 176.870 0.141 0.000 1.132 277 L CA 0.409 55.309 54.840 0.100 0.000 0.850 277 L CB -0.079 42.059 42.059 0.132 0.000 0.966 277 L HN 0.538 nan 8.230 nan 0.000 0.454 278 G N -0.538 108.323 108.800 0.101 0.000 2.221 278 G HA2 -0.293 3.652 3.960 -0.025 0.000 0.265 278 G HA3 -0.293 3.652 3.960 -0.025 0.000 0.265 278 G C -0.088 174.872 174.900 0.100 0.000 1.041 278 G CA -0.164 44.979 45.100 0.070 0.000 0.807 278 G HN 0.446 nan 8.290 nan 0.000 0.502 279 W N 1.566 122.845 121.300 -0.035 0.000 2.311 279 W HA 0.442 5.087 4.660 -0.024 0.000 0.317 279 W C 1.033 177.489 176.519 -0.105 0.000 1.065 279 W CA -0.408 56.916 57.345 -0.034 0.000 1.364 279 W CB 0.480 29.950 29.460 0.017 0.000 1.233 279 W HN 0.355 nan 8.180 nan 0.000 0.409 280 K N 4.098 124.072 120.400 -0.710 0.000 2.361 280 K HA -0.038 4.267 4.320 -0.025 0.000 0.196 280 K C -0.333 175.888 176.600 -0.631 0.000 1.039 280 K CA 0.358 56.270 56.287 -0.624 0.000 1.001 280 K CB -0.156 31.937 32.500 -0.679 0.000 0.795 280 K HN 0.194 nan 8.250 nan 0.000 0.495 281 Y N 2.238 122.152 120.300 -0.642 0.000 2.346 281 Y HA 0.289 4.825 4.550 -0.025 0.000 0.330 281 Y C 0.963 176.868 175.900 0.009 0.000 1.178 281 Y CA -0.855 57.059 58.100 -0.310 0.000 1.331 281 Y CB 0.550 38.784 38.460 -0.377 0.000 1.253 281 Y HN 0.090 nan 8.280 nan 0.000 0.529 282 A N 4.431 127.365 122.820 0.190 0.000 2.386 282 A HA 0.352 4.657 4.320 -0.025 0.000 0.246 282 A C -2.417 175.264 177.584 0.161 0.000 1.089 282 A CA -1.509 50.618 52.037 0.150 0.000 0.790 282 A CB -0.566 18.507 19.000 0.122 0.000 1.042 282 A HN 0.545 nan 8.150 nan 0.000 0.497 283 P HA 0.184 nan 4.420 nan 0.000 0.262 283 P C -0.358 176.948 177.300 0.010 0.000 1.182 283 P CA 0.683 63.706 63.100 -0.128 0.000 0.761 283 P CB -0.230 31.394 31.700 -0.128 0.000 0.795 284 F N -0.699 119.297 119.950 0.076 0.000 2.914 284 F HA -0.227 4.285 4.527 -0.025 0.000 0.304 284 F C 0.724 176.570 175.800 0.077 0.000 0.712 284 F CA 0.831 58.855 58.000 0.040 0.000 1.211 284 F CB -1.985 37.021 39.000 0.009 0.000 1.515 284 F HN 0.333 nan 8.300 nan 0.000 0.350 285 E N 1.936 122.264 120.200 0.213 0.000 2.134 285 E HA 0.553 4.888 4.350 -0.025 0.000 0.278 285 E C -0.600 176.039 176.600 0.065 0.000 0.959 285 E CA -0.462 56.034 56.400 0.159 0.000 0.783 285 E CB 0.777 30.578 29.700 0.169 0.000 1.095 285 E HN 0.175 nan 8.360 nan 0.000 0.399 286 I N 6.667 127.212 120.570 -0.042 0.000 2.478 286 I HA 0.319 4.474 4.170 -0.025 0.000 0.287 286 I C -2.218 173.700 176.117 -0.332 0.000 1.042 286 I CA -2.469 58.655 61.300 -0.293 0.000 1.067 286 I CB 1.344 39.039 38.000 -0.508 0.000 1.233 286 I HN 0.509 nan 8.210 nan 0.000 0.431 287 P HA 0.155 nan 4.420 nan 0.000 0.274 287 P C 0.884 178.154 177.300 -0.050 0.000 1.237 287 P CA -0.186 62.737 63.100 -0.295 0.000 0.793 287 P CB 0.982 32.427 31.700 -0.425 0.000 0.977 288 S N 1.207 116.956 115.700 0.081 0.000 2.387 288 S HA -0.224 4.231 4.470 -0.025 0.000 0.230 288 S C 1.475 176.156 174.600 0.134 0.000 1.035 288 S CA 1.294 59.597 58.200 0.171 0.000 1.014 288 S CB -0.981 62.283 63.200 0.108 0.000 0.836 288 S HN 0.607 nan 8.310 nan 0.000 0.466 289 E N 1.687 121.926 120.200 0.065 0.000 2.153 289 E HA -0.078 4.257 4.350 -0.025 0.000 0.194 289 E C 2.173 178.817 176.600 0.074 0.000 0.988 289 E CA 1.076 57.513 56.400 0.061 0.000 0.811 289 E CB -0.660 29.065 29.700 0.043 0.000 0.746 289 E HN 0.638 nan 8.360 nan 0.000 0.466 290 I N 0.066 120.663 120.570 0.045 0.000 2.333 290 I HA -0.217 3.938 4.170 -0.025 0.000 0.246 290 I C 2.244 178.466 176.117 0.175 0.000 1.106 290 I CA 0.828 62.183 61.300 0.092 0.000 1.411 290 I CB -0.317 37.719 38.000 0.060 0.000 1.082 290 I HN -0.073 nan 8.210 nan 0.000 0.420 291 Y N 1.067 121.457 120.300 0.151 0.000 2.165 291 Y HA -0.274 4.261 4.550 -0.025 0.000 0.286 291 Y C 2.683 178.664 175.900 0.134 0.000 1.155 291 Y CA 1.284 59.468 58.100 0.140 0.000 1.164 291 Y CB -0.982 37.513 38.460 0.059 0.000 0.978 291 Y HN 0.138 nan 8.280 nan 0.000 0.513 292 A N -0.261 122.706 122.820 0.245 0.000 1.940 292 A HA -0.264 4.041 4.320 -0.025 0.000 0.219 292 A C 2.079 179.734 177.584 0.119 0.000 1.176 292 A CA 1.976 54.101 52.037 0.147 0.000 0.631 292 A CB -0.618 18.439 19.000 0.095 0.000 0.814 292 A HN 0.586 nan 8.150 nan 0.000 0.446 293 Q N -2.611 117.253 119.800 0.108 0.000 2.269 293 Q HA -0.098 4.227 4.340 -0.025 0.000 0.201 293 Q C 1.764 177.766 176.000 0.003 0.000 0.946 293 Q CA 0.973 56.785 55.803 0.015 0.000 0.877 293 Q CB -0.101 28.604 28.738 -0.056 0.000 0.963 293 Q HN 0.886 nan 8.270 nan 0.000 0.472 294 W N 1.346 122.695 121.300 0.082 0.000 2.640 294 W HA 0.014 4.659 4.660 -0.026 0.000 0.268 294 W C 0.385 176.980 176.519 0.127 0.000 1.263 294 W CA -0.329 57.076 57.345 0.100 0.000 1.344 294 W CB 0.414 29.927 29.460 0.088 0.000 1.093 294 W HN 0.025 nan 8.180 nan 0.000 0.603 295 D N -0.342 120.268 120.400 0.350 0.000 2.455 295 D HA 0.207 4.832 4.640 -0.025 0.000 0.241 295 D C 0.727 177.125 176.300 0.164 0.000 1.138 295 D CA 0.585 54.724 54.000 0.232 0.000 0.877 295 D CB 1.292 42.176 40.800 0.141 0.000 1.187 295 D HN 0.029 nan 8.370 nan 0.000 0.451 296 A N 3.542 126.435 122.820 0.122 0.000 2.538 296 A HA 0.112 4.418 4.320 -0.025 0.000 0.269 296 A C 1.588 179.113 177.584 -0.098 0.000 1.231 296 A CA -0.299 51.754 52.037 0.025 0.000 0.948 296 A CB 0.115 19.132 19.000 0.028 0.000 1.110 296 A HN 0.576 nan 8.150 nan 0.000 0.529 297 K N 0.501 120.855 120.400 -0.077 0.000 2.026 297 K HA -0.149 4.156 4.320 -0.025 0.000 0.208 297 K C 1.500 178.038 176.600 -0.104 0.000 1.048 297 K CA 1.748 57.965 56.287 -0.117 0.000 0.929 297 K CB -0.030 32.414 32.500 -0.094 0.000 0.713 297 K HN 0.596 nan 8.250 nan 0.000 0.439 298 E N 0.521 120.681 120.200 -0.066 0.000 2.047 298 E HA -0.141 4.194 4.350 -0.025 0.000 0.191 298 E C 2.117 178.679 176.600 -0.063 0.000 0.987 298 E CA 0.915 57.281 56.400 -0.058 0.000 0.799 298 E CB -0.086 29.593 29.700 -0.034 0.000 0.752 298 E HN 0.302 nan 8.360 nan 0.000 0.449 299 A N 1.311 124.100 122.820 -0.052 0.000 1.902 299 A HA -0.111 4.194 4.320 -0.025 0.000 0.217 299 A C 2.421 179.960 177.584 -0.075 0.000 1.181 299 A CA 1.762 53.773 52.037 -0.043 0.000 0.623 299 A CB -1.163 17.828 19.000 -0.016 0.000 0.818 299 A HN 0.358 nan 8.150 nan 0.000 0.443 300 G N -0.995 107.726 108.800 -0.133 0.000 2.421 300 G HA2 -0.291 3.654 3.960 -0.025 0.000 0.216 300 G HA3 -0.291 3.654 3.960 -0.025 0.000 0.216 300 G C 1.644 176.401 174.900 -0.238 0.000 1.171 300 G CA 1.118 46.101 45.100 -0.195 0.000 0.775 300 G HN 0.487 nan 8.290 nan 0.000 0.543 301 Q N 0.973 120.656 119.800 -0.196 0.000 2.061 301 Q HA -0.118 4.207 4.340 -0.025 0.000 0.204 301 Q C 2.800 178.694 176.000 -0.175 0.000 0.984 301 Q CA 2.072 57.761 55.803 -0.190 0.000 0.846 301 Q CB -0.696 27.964 28.738 -0.130 0.000 0.902 301 Q HN 0.364 nan 8.270 nan 0.000 0.421 302 A N 1.039 123.788 122.820 -0.118 0.000 1.902 302 A HA -0.197 4.108 4.320 -0.025 0.000 0.217 302 A C 2.156 179.696 177.584 -0.073 0.000 1.181 302 A CA 1.845 53.837 52.037 -0.075 0.000 0.623 302 A CB -0.391 18.586 19.000 -0.038 0.000 0.818 302 A HN 0.439 nan 8.150 nan 0.000 0.443 303 K N -0.694 119.653 120.400 -0.088 0.000 2.057 303 K HA -0.143 4.162 4.320 -0.025 0.000 0.206 303 K C 2.142 178.614 176.600 -0.213 0.000 1.050 303 K CA 1.476 57.748 56.287 -0.024 0.000 0.935 303 K CB -0.126 32.443 32.500 0.114 0.000 0.715 303 K HN 0.679 nan 8.250 nan 0.000 0.439 304 E N 0.623 120.420 120.200 -0.673 0.000 2.106 304 E HA -0.170 4.165 4.350 -0.025 0.000 0.192 304 E C 2.058 178.472 176.600 -0.310 0.000 0.984 304 E CA 1.040 56.830 56.400 -1.017 0.000 0.806 304 E CB 0.058 28.977 29.700 -1.301 0.000 0.750 304 E HN 0.129 nan 8.360 nan 0.000 0.458 305 S N -0.298 115.287 115.700 -0.193 0.000 2.368 305 S HA -0.164 4.291 4.470 -0.025 0.000 0.225 305 S C 2.023 176.630 174.600 0.012 0.000 1.030 305 S CA 1.256 59.416 58.200 -0.067 0.000 0.999 305 S CB -0.307 62.854 63.200 -0.064 0.000 0.844 305 S HN 0.434 nan 8.310 nan 0.000 0.459 306 A N 0.102 122.944 122.820 0.036 0.000 1.908 306 A HA -0.130 4.175 4.320 -0.025 0.000 0.218 306 A C 1.903 179.584 177.584 0.160 0.000 1.181 306 A CA 1.640 53.731 52.037 0.091 0.000 0.627 306 A CB -1.333 17.733 19.000 0.110 0.000 0.818 306 A HN 0.855 nan 8.150 nan 0.000 0.445 307 W N 1.350 122.701 121.300 0.085 0.000 2.358 307 W HA -0.160 4.484 4.660 -0.026 0.000 0.303 307 W C 1.815 178.441 176.519 0.180 0.000 1.208 307 W CA 1.779 59.245 57.345 0.202 0.000 1.274 307 W CB -0.169 29.561 29.460 0.451 0.000 1.138 307 W HN 0.353 nan 8.180 nan 0.000 0.515 308 N N 0.569 119.399 118.700 0.217 0.000 2.149 308 N HA -0.198 4.527 4.740 -0.025 0.000 0.188 308 N C 1.518 177.017 175.510 -0.020 0.000 1.019 308 N CA 1.815 54.909 53.050 0.074 0.000 0.857 308 N CB -0.691 37.866 38.487 0.117 0.000 0.997 308 N HN 0.266 nan 8.380 nan 0.000 0.426 309 E N 0.943 121.138 120.200 -0.009 0.000 2.077 309 E HA -0.151 4.184 4.350 -0.025 0.000 0.193 309 E C 1.881 178.451 176.600 -0.050 0.000 0.989 309 E CA 0.740 57.131 56.400 -0.015 0.000 0.800 309 E CB -0.132 29.570 29.700 0.003 0.000 0.746 309 E HN 0.411 nan 8.360 nan 0.000 0.452 310 K N -0.027 120.312 120.400 -0.102 0.000 2.057 310 K HA -0.156 4.149 4.320 -0.025 0.000 0.207 310 K C 2.091 178.581 176.600 -0.183 0.000 1.049 310 K CA 1.094 57.304 56.287 -0.129 0.000 0.931 310 K CB -0.293 32.106 32.500 -0.168 0.000 0.714 310 K HN 0.003 nan 8.250 nan 0.000 0.440 311 F N 1.027 120.624 119.950 -0.587 0.000 2.171 311 F HA -0.095 4.417 4.527 -0.026 0.000 0.300 311 F C 1.961 177.667 175.800 -0.157 0.000 1.090 311 F CA 1.343 59.023 58.000 -0.534 0.000 1.293 311 F CB -0.436 38.001 39.000 -0.938 0.000 1.013 311 F HN 0.109 nan 8.300 nan 0.000 0.486 312 A N 0.265 123.028 122.820 -0.095 0.000 1.902 312 A HA -0.090 4.215 4.320 -0.025 0.000 0.217 312 A C 2.405 179.924 177.584 -0.109 0.000 1.181 312 A CA 1.792 53.776 52.037 -0.089 0.000 0.623 312 A CB -1.520 17.475 19.000 -0.009 0.000 0.818 312 A HN 0.465 nan 8.150 nan 0.000 0.443 313 A N -1.689 121.105 122.820 -0.044 0.000 1.930 313 A HA -0.094 4.211 4.320 -0.025 0.000 0.217 313 A C 2.125 179.715 177.584 0.010 0.000 1.175 313 A CA 1.537 53.594 52.037 0.033 0.000 0.627 313 A CB -0.780 18.296 19.000 0.125 0.000 0.815 313 A HN 0.734 nan 8.150 nan 0.000 0.443 314 Y N 0.536 120.720 120.300 -0.194 0.000 2.145 314 Y HA -0.116 4.419 4.550 -0.026 0.000 0.286 314 Y C 2.616 178.289 175.900 -0.378 0.000 1.145 314 Y CA 1.513 59.387 58.100 -0.377 0.000 1.148 314 Y CB -0.311 37.908 38.460 -0.402 0.000 0.981 314 Y HN 0.316 nan 8.280 nan 0.000 0.507 315 A N 0.532 123.084 122.820 -0.447 0.000 1.972 315 A HA -0.173 4.132 4.320 -0.025 0.000 0.219 315 A C 2.220 179.630 177.584 -0.290 0.000 1.169 315 A CA 1.682 53.467 52.037 -0.420 0.000 0.635 315 A CB -0.486 18.283 19.000 -0.385 0.000 0.810 315 A HN 0.419 nan 8.150 nan 0.000 0.446 316 K N -0.482 119.776 120.400 -0.236 0.000 2.025 316 K HA -0.056 4.250 4.320 -0.025 0.000 0.207 316 K C 2.220 178.664 176.600 -0.260 0.000 1.049 316 K CA 1.338 57.512 56.287 -0.188 0.000 0.933 316 K CB -0.358 32.069 32.500 -0.122 0.000 0.714 316 K HN 0.454 nan 8.250 nan 0.000 0.438 317 A N -0.284 122.320 122.820 -0.359 0.000 2.021 317 A HA -0.038 4.267 4.320 -0.025 0.000 0.216 317 A C 0.264 177.307 177.584 -0.902 0.000 1.163 317 A CA 0.762 52.458 52.037 -0.568 0.000 0.676 317 A CB 0.026 18.682 19.000 -0.574 0.000 0.818 317 A HN 0.273 nan 8.150 nan 0.000 0.453 318 Y N -0.808 119.162 120.300 -0.550 0.000 2.490 318 Y HA 0.266 4.803 4.550 -0.022 0.000 0.346 318 Y C -1.953 173.678 175.900 -0.448 0.000 1.023 318 Y CA -2.062 55.706 58.100 -0.554 0.000 1.142 318 Y CB 0.939 38.864 38.460 -0.892 0.000 1.126 318 Y HN 0.173 nan 8.280 nan 0.000 0.647 319 P HA -0.199 nan 4.420 nan 0.000 0.215 319 P C 0.959 178.239 177.300 -0.033 0.000 1.153 319 P CA 1.669 64.695 63.100 -0.123 0.000 0.853 319 P CB 0.561 32.201 31.700 -0.100 0.000 0.788 320 Q N -0.140 119.655 119.800 -0.008 0.000 2.079 320 Q HA -0.175 4.150 4.340 -0.025 0.000 0.200 320 Q C 2.216 178.290 176.000 0.124 0.000 0.974 320 Q CA 1.437 57.271 55.803 0.051 0.000 0.840 320 Q CB -0.436 28.325 28.738 0.038 0.000 0.898 320 Q HN 0.290 nan 8.270 nan 0.000 0.430 321 E N 0.917 121.192 120.200 0.125 0.000 2.077 321 E HA -0.172 4.163 4.350 -0.025 0.000 0.193 321 E C 1.852 178.748 176.600 0.493 0.000 0.989 321 E CA 1.304 57.877 56.400 0.288 0.000 0.800 321 E CB -0.309 29.498 29.700 0.178 0.000 0.746 321 E HN 0.390 nan 8.360 nan 0.000 0.452 322 A N 1.029 124.009 122.820 0.266 0.000 1.902 322 A HA -0.095 4.210 4.320 -0.025 0.000 0.217 322 A C 2.377 180.230 177.584 0.449 0.000 1.181 322 A CA 1.879 54.130 52.037 0.357 0.000 0.623 322 A CB -0.889 18.052 19.000 -0.098 0.000 0.818 322 A HN 0.288 nan 8.150 nan 0.000 0.443 323 A N -0.583 122.402 122.820 0.274 0.000 1.902 323 A HA -0.155 4.150 4.320 -0.025 0.000 0.217 323 A C 1.975 179.709 177.584 0.250 0.000 1.181 323 A CA 1.706 53.883 52.037 0.234 0.000 0.623 323 A CB -0.426 18.658 19.000 0.141 0.000 0.818 323 A HN 0.450 nan 8.150 nan 0.000 0.443 324 E N -1.025 119.356 120.200 0.301 0.000 2.110 324 E HA -0.166 4.169 4.350 -0.025 0.000 0.193 324 E C 1.734 178.516 176.600 0.303 0.000 0.988 324 E CA 1.013 57.602 56.400 0.316 0.000 0.804 324 E CB -0.431 29.509 29.700 0.401 0.000 0.745 324 E HN 0.685 nan 8.360 nan 0.000 0.458 325 F N 1.801 121.852 119.950 0.169 0.000 2.102 325 F HA -0.210 4.306 4.527 -0.019 0.000 0.298 325 F C 2.392 178.136 175.800 -0.094 0.000 1.105 325 F CA 1.819 59.662 58.000 -0.263 0.000 1.239 325 F CB -0.418 38.442 39.000 -0.234 0.000 0.991 325 F HN -0.065 nan 8.300 nan 0.000 0.474 326 T N 0.714 115.392 114.554 0.207 0.000 2.708 326 T HA -0.222 4.113 4.350 -0.025 0.000 0.266 326 T C 2.104 176.774 174.700 -0.050 0.000 1.037 326 T CA 1.594 63.732 62.100 0.063 0.000 1.146 326 T CB -0.391 68.604 68.868 0.211 0.000 0.865 326 T HN 0.252 nan 8.240 nan 0.000 0.435 327 R N 0.935 121.437 120.500 0.004 0.000 2.083 327 R HA -0.087 4.238 4.340 -0.025 0.000 0.237 327 R C 2.555 178.796 176.300 -0.099 0.000 1.137 327 R CA 1.517 57.601 56.100 -0.027 0.000 0.951 327 R CB -0.096 30.211 30.300 0.011 0.000 0.851 327 R HN 0.317 nan 8.270 nan 0.000 0.434 328 R N -0.556 119.858 120.500 -0.143 0.000 2.092 328 R HA -0.026 4.299 4.340 -0.025 0.000 0.231 328 R C 2.356 178.481 176.300 -0.291 0.000 1.119 328 R CA 1.346 57.323 56.100 -0.205 0.000 0.970 328 R CB -0.147 30.030 30.300 -0.205 0.000 0.864 328 R HN 0.235 nan 8.270 nan 0.000 0.440 329 M N 0.763 120.102 119.600 -0.434 0.000 2.213 329 M HA -0.131 4.335 4.480 -0.025 0.000 0.263 329 M C 1.617 177.776 176.300 -0.235 0.000 1.062 329 M CA 1.624 56.670 55.300 -0.423 0.000 1.105 329 M CB -0.451 31.782 32.600 -0.611 0.000 1.385 329 M HN 0.030 nan 8.290 nan 0.000 0.417 330 K N -0.689 119.605 120.400 -0.176 0.000 2.366 330 K HA 0.128 4.433 4.320 -0.025 0.000 0.198 330 K C 1.091 177.641 176.600 -0.084 0.000 1.044 330 K CA 0.623 56.847 56.287 -0.105 0.000 0.973 330 K CB -0.018 32.439 32.500 -0.072 0.000 0.767 330 K HN 0.531 nan 8.250 nan 0.000 0.475 331 G N 2.169 110.911 108.800 -0.096 0.000 2.143 331 G HA2 -0.285 3.660 3.960 -0.025 0.000 0.248 331 G HA3 -0.285 3.660 3.960 -0.025 0.000 0.248 331 G C -0.419 174.437 174.900 -0.074 0.000 0.991 331 G CA 0.117 45.173 45.100 -0.073 0.000 0.689 331 G HN 0.376 nan 8.290 nan 0.000 0.522 332 E N 0.014 120.169 120.200 -0.075 0.000 2.366 332 E HA 0.476 4.811 4.350 -0.025 0.000 0.266 332 E C 0.871 177.415 176.600 -0.093 0.000 1.051 332 E CA -0.351 56.009 56.400 -0.068 0.000 0.884 332 E CB 0.479 30.152 29.700 -0.046 0.000 1.006 332 E HN 0.172 nan 8.360 nan 0.000 0.417 333 M N 2.067 121.607 119.600 -0.100 0.000 2.359 333 M HA 0.319 4.784 4.480 -0.025 0.000 0.322 333 M C -2.178 174.072 176.300 -0.084 0.000 1.166 333 M CA -2.601 52.609 55.300 -0.150 0.000 1.067 333 M CB -0.127 32.365 32.600 -0.179 0.000 1.523 333 M HN 0.167 nan 8.290 nan 0.000 0.467 334 P HA 0.068 nan 4.420 nan 0.000 0.266 334 P C 0.537 177.855 177.300 0.030 0.000 1.195 334 P CA 0.065 63.157 63.100 -0.013 0.000 0.768 334 P CB 0.328 32.029 31.700 0.002 0.000 0.838 335 S N 1.177 116.891 115.700 0.023 0.000 2.400 335 S HA -0.201 4.254 4.470 -0.025 0.000 0.232 335 S C 1.140 175.757 174.600 0.027 0.000 1.025 335 S CA 1.532 59.745 58.200 0.023 0.000 0.993 335 S CB -0.801 62.408 63.200 0.015 0.000 0.808 335 S HN 0.597 nan 8.310 nan 0.000 0.478 336 D N -0.251 120.167 120.400 0.030 0.000 2.340 336 D HA 0.087 4.712 4.640 -0.025 0.000 0.217 336 D C 1.162 177.458 176.300 -0.008 0.000 1.081 336 D CA -0.439 53.565 54.000 0.006 0.000 0.842 336 D CB -0.699 40.099 40.800 -0.004 0.000 0.934 336 D HN 0.413 nan 8.370 nan 0.000 0.511 337 F N 1.871 121.755 119.950 -0.110 0.000 2.102 337 F HA -0.133 4.387 4.527 -0.011 0.000 0.298 337 F C 1.770 177.474 175.800 -0.159 0.000 1.105 337 F CA 1.738 59.635 58.000 -0.172 0.000 1.239 337 F CB -0.209 38.655 39.000 -0.227 0.000 0.991 337 F HN -0.062 nan 8.300 nan 0.000 0.474 338 D N 0.141 120.486 120.400 -0.091 0.000 2.116 338 D HA -0.243 4.383 4.640 -0.025 0.000 0.193 338 D C 2.204 178.383 176.300 -0.202 0.000 0.998 338 D CA 1.803 55.717 54.000 -0.142 0.000 0.836 338 D CB -0.391 40.397 40.800 -0.020 0.000 0.951 338 D HN 0.317 nan 8.370 nan 0.000 0.449 339 A N 0.142 122.878 122.820 -0.139 0.000 1.902 339 A HA -0.169 4.136 4.320 -0.025 0.000 0.217 339 A C 2.157 179.658 177.584 -0.139 0.000 1.181 339 A CA 1.573 53.546 52.037 -0.107 0.000 0.623 339 A CB -0.466 18.496 19.000 -0.064 0.000 0.818 339 A HN 0.224 nan 8.150 nan 0.000 0.443 340 K N -0.384 119.893 120.400 -0.205 0.000 2.097 340 K HA -0.007 4.298 4.320 -0.025 0.000 0.205 340 K C 2.296 178.759 176.600 -0.228 0.000 1.050 340 K CA 1.022 57.191 56.287 -0.196 0.000 0.938 340 K CB -0.285 32.093 32.500 -0.202 0.000 0.718 340 K HN 0.432 nan 8.250 nan 0.000 0.442 341 A N 1.868 124.392 122.820 -0.493 0.000 1.930 341 A HA -0.169 4.136 4.320 -0.025 0.000 0.217 341 A C 1.886 179.449 177.584 -0.034 0.000 1.175 341 A CA 1.398 53.226 52.037 -0.347 0.000 0.627 341 A CB -0.231 18.264 19.000 -0.841 0.000 0.815 341 A HN 0.170 nan 8.150 nan 0.000 0.443 342 K N -0.545 119.799 120.400 -0.093 0.000 2.097 342 K HA -0.168 4.137 4.320 -0.025 0.000 0.206 342 K C 2.106 178.705 176.600 -0.002 0.000 1.049 342 K CA 1.421 57.691 56.287 -0.029 0.000 0.933 342 K CB -0.110 32.363 32.500 -0.045 0.000 0.717 342 K HN 0.714 nan 8.250 nan 0.000 0.442 343 E N 0.397 120.597 120.200 0.000 0.000 2.077 343 E HA -0.223 4.112 4.350 -0.025 0.000 0.193 343 E C 1.858 178.501 176.600 0.072 0.000 0.989 343 E CA 1.022 57.435 56.400 0.022 0.000 0.800 343 E CB -0.107 29.603 29.700 0.016 0.000 0.746 343 E HN 0.223 nan 8.360 nan 0.000 0.452 344 F N 1.387 121.314 119.950 -0.038 0.000 2.102 344 F HA -0.168 4.347 4.527 -0.021 0.000 0.298 344 F C 1.976 177.769 175.800 -0.011 0.000 1.105 344 F CA 1.539 59.530 58.000 -0.015 0.000 1.239 344 F CB -0.332 38.678 39.000 0.017 0.000 0.991 344 F HN 0.010 nan 8.300 nan 0.000 0.474 345 I N 0.287 120.807 120.570 -0.084 0.000 2.163 345 I HA -0.339 3.816 4.170 -0.025 0.000 0.243 345 I C 2.682 178.699 176.117 -0.167 0.000 1.085 345 I CA 1.388 62.585 61.300 -0.172 0.000 1.347 345 I CB -0.941 37.046 38.000 -0.022 0.000 1.044 345 I HN 0.252 nan 8.210 nan 0.000 0.408 346 A N 0.395 123.157 122.820 -0.096 0.000 1.902 346 A HA -0.259 4.046 4.320 -0.025 0.000 0.217 346 A C 2.376 179.902 177.584 -0.096 0.000 1.181 346 A CA 1.861 53.852 52.037 -0.077 0.000 0.623 346 A CB -0.523 18.451 19.000 -0.043 0.000 0.818 346 A HN 0.352 nan 8.150 nan 0.000 0.443 347 K N -0.219 120.113 120.400 -0.113 0.000 2.057 347 K HA -0.090 4.215 4.320 -0.025 0.000 0.207 347 K C 1.867 178.370 176.600 -0.162 0.000 1.049 347 K CA 1.430 57.651 56.287 -0.111 0.000 0.931 347 K CB -0.321 32.133 32.500 -0.076 0.000 0.714 347 K HN 0.500 nan 8.250 nan 0.000 0.440 348 L N 0.525 121.578 121.223 -0.283 0.000 2.046 348 L HA -0.203 4.122 4.340 -0.025 0.000 0.208 348 L C 2.730 179.510 176.870 -0.150 0.000 1.077 348 L CA 1.255 55.936 54.840 -0.265 0.000 0.747 348 L CB -0.525 41.295 42.059 -0.398 0.000 0.896 348 L HN 0.298 nan 8.230 nan 0.000 0.432 349 Q N 0.443 120.167 119.800 -0.128 0.000 2.170 349 Q HA -0.149 4.176 4.340 -0.025 0.000 0.203 349 Q C 2.061 178.027 176.000 -0.058 0.000 0.976 349 Q CA 1.930 57.687 55.803 -0.077 0.000 0.858 349 Q CB -0.178 28.522 28.738 -0.063 0.000 0.907 349 Q HN 0.447 nan 8.270 nan 0.000 0.433 350 A N -0.355 122.429 122.820 -0.061 0.000 2.123 350 A HA 0.047 4.352 4.320 -0.025 0.000 0.214 350 A C 0.339 177.900 177.584 -0.039 0.000 1.152 350 A CA 0.497 52.509 52.037 -0.042 0.000 0.728 350 A CB 0.094 19.072 19.000 -0.037 0.000 0.814 350 A HN 0.339 nan 8.150 nan 0.000 0.464 351 N N 1.011 119.680 118.700 -0.051 0.000 2.790 351 N HA 0.260 4.985 4.740 -0.025 0.000 0.256 351 N C -3.216 172.268 175.510 -0.045 0.000 1.409 351 N CA -0.962 52.063 53.050 -0.042 0.000 0.799 351 N CB 1.093 39.556 38.487 -0.040 0.000 1.170 351 N HN 0.068 nan 8.380 nan 0.000 0.507 352 P HA 0.115 nan 4.420 nan 0.000 0.266 352 P C -0.895 176.389 177.300 -0.026 0.000 1.195 352 P CA 0.007 63.088 63.100 -0.032 0.000 0.768 352 P CB 0.757 32.444 31.700 -0.023 0.000 0.838 353 A N 2.378 125.183 122.820 -0.026 0.000 2.437 353 A HA 0.450 4.755 4.320 -0.025 0.000 0.293 353 A C -0.641 176.935 177.584 -0.013 0.000 1.038 353 A CA -0.729 51.298 52.037 -0.016 0.000 0.708 353 A CB 0.989 19.980 19.000 -0.015 0.000 1.251 353 A HN 0.431 nan 8.150 nan 0.000 0.409 354 K N 3.594 123.988 120.400 -0.009 0.000 2.231 354 K HA 0.570 4.875 4.320 -0.025 0.000 0.275 354 K C -0.563 176.035 176.600 -0.003 0.000 1.105 354 K CA -0.123 56.158 56.287 -0.009 0.000 0.931 354 K CB -0.245 32.248 32.500 -0.012 0.000 1.296 354 K HN 0.717 nan 8.250 nan 0.000 0.446 355 I N -0.318 120.253 120.570 0.001 0.000 3.074 355 I HA 0.632 4.787 4.170 -0.025 0.000 0.310 355 I C -0.512 175.612 176.117 0.012 0.000 1.153 355 I CA -1.526 59.779 61.300 0.009 0.000 0.993 355 I CB 1.896 39.905 38.000 0.016 0.000 1.237 355 I HN 0.361 nan 8.210 nan 0.000 0.443 356 A N 2.008 124.837 122.820 0.017 0.000 2.445 356 A HA 0.345 4.650 4.320 -0.025 0.000 0.242 356 A C 1.274 178.879 177.584 0.036 0.000 1.075 356 A CA 0.250 52.297 52.037 0.017 0.000 0.777 356 A CB 0.234 19.241 19.000 0.011 0.000 1.013 356 A HN 1.019 nan 8.150 nan 0.000 0.493 357 S N 1.780 117.504 115.700 0.041 0.000 2.447 357 S HA -0.223 4.233 4.470 -0.025 0.000 0.233 357 S C 1.702 176.360 174.600 0.095 0.000 1.006 357 S CA 1.045 59.286 58.200 0.068 0.000 0.957 357 S CB -0.469 62.774 63.200 0.072 0.000 0.773 357 S HN 0.891 nan 8.310 nan 0.000 0.507 358 R N 1.546 122.102 120.500 0.093 0.000 2.096 358 R HA 0.022 4.347 4.340 -0.025 0.000 0.235 358 R C 2.133 178.502 176.300 0.115 0.000 1.127 358 R CA 1.524 57.702 56.100 0.130 0.000 0.968 358 R CB -0.433 29.961 30.300 0.157 0.000 0.861 358 R HN 0.362 nan 8.270 nan 0.000 0.440 359 K N 1.217 121.668 120.400 0.084 0.000 2.103 359 K HA 0.074 4.379 4.320 -0.025 0.000 0.204 359 K C 2.102 178.737 176.600 0.058 0.000 1.052 359 K CA 1.476 57.803 56.287 0.068 0.000 0.945 359 K CB -0.370 32.162 32.500 0.053 0.000 0.722 359 K HN 0.280 nan 8.250 nan 0.000 0.443 360 A N -0.070 122.787 122.820 0.063 0.000 1.972 360 A HA -0.160 4.145 4.320 -0.025 0.000 0.219 360 A C 2.288 179.914 177.584 0.069 0.000 1.169 360 A CA 2.144 54.219 52.037 0.063 0.000 0.635 360 A CB -1.041 17.998 19.000 0.065 0.000 0.810 360 A HN 0.438 nan 8.150 nan 0.000 0.446 361 S N -0.894 114.877 115.700 0.118 0.000 2.348 361 S HA -0.262 4.194 4.470 -0.025 0.000 0.221 361 S C 2.229 176.784 174.600 -0.075 0.000 1.033 361 S CA 1.734 60.042 58.200 0.179 0.000 1.010 361 S CB -0.401 62.996 63.200 0.328 0.000 0.891 361 S HN 0.686 nan 8.310 nan 0.000 0.442 362 Q N 0.460 120.250 119.800 -0.017 0.000 2.112 362 Q HA -0.180 4.145 4.340 -0.025 0.000 0.206 362 Q C 1.749 177.662 176.000 -0.145 0.000 0.987 362 Q CA 1.901 57.665 55.803 -0.065 0.000 0.858 362 Q CB -0.251 28.504 28.738 0.028 0.000 0.905 362 Q HN 0.532 nan 8.270 nan 0.000 0.420 363 N N 0.191 118.838 118.700 -0.088 0.000 2.166 363 N HA -0.134 4.592 4.740 -0.025 0.000 0.186 363 N C 1.493 176.842 175.510 -0.267 0.000 1.019 363 N CA 1.327 54.337 53.050 -0.066 0.000 0.856 363 N CB -0.434 38.105 38.487 0.086 0.000 0.993 363 N HN 0.355 nan 8.380 nan 0.000 0.426 364 A N 1.049 123.616 122.820 -0.422 0.000 1.930 364 A HA -0.016 4.289 4.320 -0.025 0.000 0.217 364 A C 2.296 179.073 177.584 -1.344 0.000 1.175 364 A CA 0.736 52.186 52.037 -0.977 0.000 0.627 364 A CB -0.572 17.834 19.000 -0.990 0.000 0.815 364 A HN 0.201 nan 8.150 nan 0.000 0.443 365 I N -0.599 119.286 120.570 -1.142 0.000 2.226 365 I HA -0.254 3.901 4.170 -0.025 0.000 0.245 365 I C 2.529 178.198 176.117 -0.748 0.000 1.100 365 I CA 1.835 62.543 61.300 -0.987 0.000 1.374 365 I CB -0.324 37.201 38.000 -0.792 0.000 1.057 365 I HN 0.407 nan 8.210 nan 0.000 0.413 366 E N 1.461 121.382 120.200 -0.466 0.000 2.085 366 E HA -0.217 4.118 4.350 -0.025 0.000 0.194 366 E C 2.106 178.480 176.600 -0.377 0.000 0.994 366 E CA 1.756 58.013 56.400 -0.239 0.000 0.801 366 E CB -0.136 29.547 29.700 -0.029 0.000 0.743 366 E HN 0.435 nan 8.360 nan 0.000 0.453 367 A N -0.382 122.101 122.820 -0.562 0.000 1.929 367 A HA -0.069 4.236 4.320 -0.025 0.000 0.216 367 A C 1.856 179.276 177.584 -0.272 0.000 1.176 367 A CA 1.191 52.868 52.037 -0.600 0.000 0.628 367 A CB -0.582 17.545 19.000 -1.454 0.000 0.816 367 A HN 0.343 nan 8.150 nan 0.000 0.444 368 F N 0.202 119.845 119.950 -0.512 0.000 2.416 368 F HA 0.134 4.636 4.527 -0.041 0.000 0.296 368 F C 2.546 178.092 175.800 -0.423 0.000 1.099 368 F CA -0.070 57.750 58.000 -0.300 0.000 1.427 368 F CB -1.478 37.429 39.000 -0.155 0.000 1.079 368 F HN 0.259 nan 8.300 nan 0.000 0.536 369 G N 1.780 110.252 108.800 -0.547 0.000 2.529 369 G HA2 -0.253 3.692 3.960 -0.025 0.000 0.219 369 G HA3 -0.253 3.692 3.960 -0.025 0.000 0.219 369 G C -0.624 173.998 174.900 -0.464 0.000 1.177 369 G CA 0.803 45.270 45.100 -1.056 0.000 0.773 369 G HN 0.232 nan 8.290 nan 0.000 0.573 370 P HA 0.047 nan 4.420 nan 0.000 0.225 370 P C 1.690 178.992 177.300 0.003 0.000 1.148 370 P CA 0.663 63.794 63.100 0.052 0.000 0.779 370 P CB -0.032 31.717 31.700 0.082 0.000 0.780 371 L N -2.285 118.901 121.223 -0.061 0.000 2.416 371 L HA 0.115 4.440 4.340 -0.025 0.000 0.216 371 L C 0.984 177.771 176.870 -0.137 0.000 1.098 371 L CA 0.431 55.251 54.840 -0.034 0.000 0.840 371 L CB -0.211 41.894 42.059 0.076 0.000 0.981 371 L HN -0.102 nan 8.230 nan 0.000 0.462 372 L N 1.978 123.032 121.223 -0.281 0.000 2.581 372 L HA 0.260 4.585 4.340 -0.025 0.000 0.241 372 L C -1.537 175.183 176.870 -0.250 0.000 1.265 372 L CA -1.133 53.434 54.840 -0.455 0.000 0.954 372 L CB 0.930 42.378 42.059 -1.019 0.000 1.269 372 L HN -0.156 nan 8.230 nan 0.000 0.475 373 P HA -0.183 nan 4.420 nan 0.000 0.225 373 P C 0.986 178.371 177.300 0.143 0.000 1.148 373 P CA 0.998 64.153 63.100 0.091 0.000 0.779 373 P CB 0.230 31.976 31.700 0.077 0.000 0.780 374 E N -0.919 119.316 120.200 0.059 0.000 2.418 374 E HA -0.109 4.226 4.350 -0.025 0.000 0.197 374 E C 0.349 177.170 176.600 0.370 0.000 1.026 374 E CA 0.031 56.510 56.400 0.131 0.000 0.862 374 E CB -0.744 28.956 29.700 0.001 0.000 0.799 374 E HN 0.115 nan 8.360 nan 0.000 0.518 375 F N 1.644 121.741 119.950 0.244 0.000 2.623 375 F HA 0.050 4.549 4.527 -0.047 0.000 0.383 375 F C 0.562 176.513 175.800 0.252 0.000 1.077 375 F CA -0.339 57.830 58.000 0.282 0.000 1.268 375 F CB 0.312 39.512 39.000 0.333 0.000 1.053 375 F HN -0.003 nan 8.300 nan 0.000 0.571 376 L N 4.605 126.010 121.223 0.304 0.000 2.454 376 L HA 0.620 4.945 4.340 -0.025 0.000 0.258 376 L C -0.209 176.466 176.870 -0.325 0.000 1.025 376 L CA -0.064 54.757 54.840 -0.032 0.000 0.901 376 L CB 0.871 42.795 42.059 -0.226 0.000 1.210 376 L HN 0.535 nan 8.230 nan 0.000 0.457 377 G N 1.375 109.794 108.800 -0.636 0.000 2.509 377 G HA2 0.845 4.790 3.960 -0.025 0.000 0.328 377 G HA3 0.845 4.790 3.960 -0.025 0.000 0.328 377 G C -0.625 173.627 174.900 -1.080 0.000 1.194 377 G CA -0.283 43.943 45.100 -1.456 0.000 0.967 377 G HN 0.932 nan 8.290 nan 0.000 0.488 378 G N -1.714 106.598 108.800 -0.812 0.000 2.451 378 G HA2 0.580 4.525 3.960 -0.025 0.000 0.292 378 G HA3 0.580 4.525 3.960 -0.025 0.000 0.292 378 G C -1.445 173.426 174.900 -0.048 0.000 1.427 378 G CA 0.348 45.028 45.100 -0.700 0.000 0.792 378 G HN 1.271 nan 8.290 nan 0.000 0.498 379 S N -1.471 114.279 115.700 0.083 0.000 2.569 379 S HA 0.693 5.148 4.470 -0.025 0.000 0.280 379 S C 0.006 174.712 174.600 0.176 0.000 1.111 379 S CA 0.356 58.659 58.200 0.171 0.000 0.887 379 S CB 1.566 64.897 63.200 0.218 0.000 1.095 379 S HN 1.999 nan 8.310 nan 0.000 0.476 380 A N 3.117 125.982 122.820 0.075 0.000 2.990 380 A HA 0.447 4.752 4.320 -0.025 0.000 0.282 380 A C 0.496 178.074 177.584 -0.010 0.000 1.688 380 A CA 0.357 52.414 52.037 0.034 0.000 1.391 380 A CB -1.483 17.488 19.000 -0.050 0.000 1.112 380 A HN 1.180 nan 8.150 nan 0.000 0.588 381 D N -0.232 120.204 120.400 0.060 0.000 2.837 381 D HA -0.170 4.455 4.640 -0.025 0.000 0.230 381 D C -0.027 176.265 176.300 -0.013 0.000 1.152 381 D CA 1.412 55.433 54.000 0.036 0.000 0.736 381 D CB -1.411 39.379 40.800 -0.016 0.000 1.084 381 D HN 0.515 nan 8.370 nan 0.000 0.429 382 L N -1.289 119.935 121.223 0.002 0.000 3.366 382 L HA 0.524 4.849 4.340 -0.025 0.000 0.304 382 L C 2.043 178.960 176.870 0.078 0.000 1.292 382 L CA 0.180 54.993 54.840 -0.046 0.000 1.012 382 L CB 0.070 41.963 42.059 -0.276 0.000 1.414 382 L HN 0.155 nan 8.230 nan 0.000 0.603 383 A N 1.675 124.586 122.820 0.152 0.000 1.903 383 A HA -0.113 4.192 4.320 -0.025 0.000 0.219 383 A C -0.333 177.335 177.584 0.140 0.000 1.191 383 A CA 1.954 54.103 52.037 0.187 0.000 0.638 383 A CB -1.429 17.688 19.000 0.196 0.000 0.823 383 A HN 0.330 nan 8.150 nan 0.000 0.451 384 P HA 0.040 nan 4.420 nan 0.000 0.241 384 P C 1.106 178.498 177.300 0.154 0.000 1.191 384 P CA 1.458 64.626 63.100 0.113 0.000 0.771 384 P CB 0.407 32.161 31.700 0.090 0.000 0.929 385 S N -0.495 115.315 115.700 0.183 0.000 2.566 385 S HA 0.114 4.569 4.470 -0.025 0.000 0.234 385 S C 1.648 176.463 174.600 0.357 0.000 1.075 385 S CA 0.204 58.579 58.200 0.292 0.000 0.926 385 S CB -0.638 62.742 63.200 0.301 0.000 0.811 385 S HN 0.083 nan 8.310 nan 0.000 0.518 386 N N 1.242 120.099 118.700 0.261 0.000 2.409 386 N HA 0.220 4.946 4.740 -0.025 0.000 0.179 386 N C -0.277 175.378 175.510 0.242 0.000 1.032 386 N CA 0.679 53.894 53.050 0.276 0.000 0.898 386 N CB -0.091 38.528 38.487 0.219 0.000 0.971 386 N HN 0.264 nan 8.380 nan 0.000 0.441 387 L N 0.505 121.852 121.223 0.207 0.000 3.472 387 L HA -0.192 4.133 4.340 -0.025 0.000 0.485 387 L C 0.633 177.607 176.870 0.174 0.000 1.312 387 L CA 0.103 55.043 54.840 0.167 0.000 0.869 387 L CB -2.370 39.776 42.059 0.145 0.000 1.687 387 L HN 0.365 nan 8.230 nan 0.000 0.853 388 T N -4.032 110.664 114.554 0.236 0.000 3.065 388 T HA 0.330 4.665 4.350 -0.025 0.000 0.252 388 T C 0.690 175.621 174.700 0.385 0.000 1.099 388 T CA -0.101 62.220 62.100 0.368 0.000 1.063 388 T CB 0.257 69.464 68.868 0.564 0.000 0.948 388 T HN 0.311 nan 8.240 nan 0.000 0.506 389 L N 3.167 124.482 121.223 0.153 0.000 2.326 389 L HA 0.490 4.815 4.340 -0.025 0.000 0.278 389 L C 0.248 177.208 176.870 0.149 0.000 1.092 389 L CA -1.214 53.626 54.840 0.001 0.000 0.810 389 L CB 0.647 42.585 42.059 -0.202 0.000 1.153 389 L HN 0.448 nan 8.230 nan 0.000 0.439 390 W N 1.251 122.527 121.300 -0.041 0.000 2.869 390 W HA 0.393 5.026 4.660 -0.046 0.000 0.345 390 W C 0.936 177.435 176.519 -0.032 0.000 1.191 390 W CA -0.607 56.717 57.345 -0.035 0.000 1.104 390 W CB 0.588 30.031 29.460 -0.027 0.000 1.471 390 W HN 0.627 nan 8.180 nan 0.000 0.612 391 S N -0.072 115.587 115.700 -0.068 0.000 2.419 391 S HA -0.074 4.382 4.470 -0.025 0.000 0.233 391 S C 1.602 175.810 174.600 -0.655 0.000 1.016 391 S CA 1.482 59.526 58.200 -0.261 0.000 0.974 391 S CB -0.968 62.198 63.200 -0.055 0.000 0.786 391 S HN 0.804 nan 8.310 nan 0.000 0.492 392 G N 0.638 108.487 108.800 -1.585 0.000 3.141 392 G HA2 0.321 4.266 3.960 -0.025 0.000 0.218 392 G HA3 0.321 4.266 3.960 -0.025 0.000 0.218 392 G C 0.088 174.229 174.900 -1.265 0.000 1.170 392 G CA -0.386 43.732 45.100 -1.637 0.000 0.769 392 G HN 0.458 nan 8.290 nan 0.000 0.546 393 S N 0.247 115.235 115.700 -1.186 0.000 2.549 393 S HA 0.405 4.860 4.470 -0.025 0.000 0.283 393 S C 0.061 174.477 174.600 -0.306 0.000 1.320 393 S CA 0.248 58.143 58.200 -0.509 0.000 1.058 393 S CB 1.377 64.317 63.200 -0.434 0.000 0.882 393 S HN 0.290 nan 8.310 nan 0.000 0.498 394 K N 1.940 122.267 120.400 -0.122 0.000 2.601 394 K HA 0.551 4.856 4.320 -0.025 0.000 0.249 394 K C -0.716 175.888 176.600 0.007 0.000 0.966 394 K CA -0.386 55.856 56.287 -0.075 0.000 0.827 394 K CB 1.235 33.698 32.500 -0.061 0.000 1.178 394 K HN 0.594 nan 8.250 nan 0.000 0.437 395 A N 4.882 127.712 122.820 0.016 0.000 2.488 395 A HA 0.240 4.545 4.320 -0.025 0.000 0.249 395 A C 1.320 178.920 177.584 0.025 0.000 1.083 395 A CA -0.147 51.935 52.037 0.076 0.000 0.768 395 A CB -0.532 18.578 19.000 0.183 0.000 1.017 395 A HN 0.974 nan 8.150 nan 0.000 0.496 396 I N 1.077 121.633 120.570 -0.024 0.000 2.756 396 I HA -0.157 3.998 4.170 -0.025 0.000 0.262 396 I C 1.643 177.730 176.117 -0.050 0.000 1.225 396 I CA 1.534 62.799 61.300 -0.058 0.000 1.472 396 I CB -0.427 37.499 38.000 -0.122 0.000 1.094 396 I HN 0.746 nan 8.210 nan 0.000 0.454 397 N N 1.590 120.276 118.700 -0.023 0.000 2.459 397 N HA -0.177 4.549 4.740 -0.025 0.000 0.181 397 N C 1.301 176.803 175.510 -0.015 0.000 1.046 397 N CA 1.110 54.147 53.050 -0.022 0.000 0.904 397 N CB -0.208 38.276 38.487 -0.005 0.000 0.964 397 N HN 0.637 nan 8.380 nan 0.000 0.444 398 E N -0.305 119.895 120.200 -0.000 0.000 2.127 398 E HA 0.038 4.373 4.350 -0.025 0.000 0.191 398 E C -0.387 176.203 176.600 -0.018 0.000 0.964 398 E CA 0.397 56.792 56.400 -0.008 0.000 0.832 398 E CB 0.342 30.043 29.700 0.001 0.000 0.790 398 E HN 0.189 nan 8.360 nan 0.000 0.465 399 D N -1.027 119.362 120.400 -0.018 0.000 2.686 399 D HA 0.252 4.877 4.640 -0.025 0.000 0.249 399 D C -0.022 176.264 176.300 -0.023 0.000 1.260 399 D CA -0.277 53.710 54.000 -0.021 0.000 0.910 399 D CB 1.679 42.468 40.800 -0.020 0.000 1.323 399 D HN 0.008 nan 8.370 nan 0.000 0.561 400 A N 3.031 125.834 122.820 -0.028 0.000 2.070 400 A HA 0.055 4.360 4.320 -0.025 0.000 0.220 400 A C 1.710 179.288 177.584 -0.011 0.000 1.159 400 A CA 1.648 53.665 52.037 -0.034 0.000 0.656 400 A CB -0.132 18.844 19.000 -0.041 0.000 0.800 400 A HN 0.560 nan 8.150 nan 0.000 0.453 401 A N -0.388 122.432 122.820 0.001 0.000 2.278 401 A HA 0.485 4.790 4.320 -0.025 0.000 0.212 401 A C 1.344 178.952 177.584 0.040 0.000 1.213 401 A CA 0.581 52.632 52.037 0.025 0.000 0.840 401 A CB -0.876 18.126 19.000 0.003 0.000 0.866 401 A HN 0.622 nan 8.150 nan 0.000 0.489 402 G N 0.317 109.131 108.800 0.023 0.000 2.525 402 G HA2 0.291 4.236 3.960 -0.025 0.000 0.276 402 G HA3 0.291 4.236 3.960 -0.025 0.000 0.276 402 G C 0.312 175.255 174.900 0.071 0.000 1.388 402 G CA 0.278 45.398 45.100 0.034 0.000 1.050 402 G HN 0.586 nan 8.290 nan 0.000 0.520 403 N N -3.039 115.715 118.700 0.091 0.000 2.142 403 N HA 0.127 4.853 4.740 -0.025 0.000 0.233 403 N C -0.921 174.649 175.510 0.099 0.000 1.335 403 N CA -0.500 52.639 53.050 0.148 0.000 0.837 403 N CB 0.156 38.819 38.487 0.294 0.000 1.238 403 N HN 0.465 nan 8.380 nan 0.000 0.501 404 Y N 0.560 120.785 120.300 -0.125 0.000 2.492 404 Y HA 0.651 5.212 4.550 0.019 0.000 0.346 404 Y C -1.561 174.147 175.900 -0.320 0.000 0.997 404 Y CA -1.148 56.820 58.100 -0.221 0.000 1.025 404 Y CB 1.618 39.959 38.460 -0.198 0.000 1.263 404 Y HN -0.038 nan 8.280 nan 0.000 0.454 405 I N 5.701 125.677 120.570 -0.989 0.000 2.418 405 I HA 0.244 4.399 4.170 -0.025 0.000 0.287 405 I C -0.829 174.776 176.117 -0.853 0.000 1.008 405 I CA -0.861 59.929 61.300 -0.849 0.000 1.104 405 I CB 1.258 38.564 38.000 -1.156 0.000 1.264 405 I HN 0.571 nan 8.210 nan 0.000 0.438 406 H N 6.833 125.737 119.070 -0.276 0.000 3.089 406 H HA 0.075 4.625 4.556 -0.010 0.000 0.262 406 H C -0.083 175.138 175.328 -0.178 0.000 1.160 406 H CA 0.332 56.327 56.048 -0.088 0.000 1.482 406 H CB 0.476 30.246 29.762 0.014 0.000 1.511 406 H HN 0.565 nan 8.280 nan 0.000 0.483 407 Y N 1.897 122.185 120.300 -0.021 0.000 2.544 407 Y HA 0.017 4.506 4.550 -0.102 0.000 0.286 407 Y C 1.933 177.808 175.900 -0.042 0.000 1.141 407 Y CA 0.863 58.926 58.100 -0.061 0.000 1.299 407 Y CB 0.313 38.718 38.460 -0.091 0.000 1.030 407 Y HN 0.968 nan 8.280 nan 0.000 0.543 408 G N -0.093 108.782 108.800 0.124 0.000 2.697 408 G HA2 -0.266 3.680 3.960 -0.025 0.000 0.240 408 G HA3 -0.266 3.680 3.960 -0.025 0.000 0.240 408 G C -0.523 174.389 174.900 0.020 0.000 1.346 408 G CA -0.413 44.716 45.100 0.048 0.000 0.887 408 G HN 0.029 nan 8.290 nan 0.000 0.569 409 V N 1.418 121.317 119.914 -0.025 0.000 2.071 409 V HA 0.453 4.558 4.120 -0.025 0.000 0.254 409 V C 0.954 177.016 176.094 -0.055 0.000 1.456 409 V CA 0.828 63.083 62.300 -0.075 0.000 1.383 409 V CB -0.657 31.104 31.823 -0.103 0.000 1.433 409 V HN 0.564 nan 8.190 nan 0.000 0.499 410 R N 1.794 122.273 120.500 -0.035 0.000 2.684 410 R HA 0.261 4.586 4.340 -0.025 0.000 0.252 410 R C 0.246 176.546 176.300 -0.000 0.000 1.628 410 R CA -0.326 55.774 56.100 0.000 0.000 1.622 410 R CB 0.884 31.180 30.300 -0.006 0.000 1.418 410 R HN 0.415 nan 8.270 nan 0.000 0.697 411 E N 0.530 120.743 120.200 0.022 0.000 2.072 411 E HA -0.158 4.177 4.350 -0.025 0.000 0.191 411 E C 1.150 177.831 176.600 0.136 0.000 0.985 411 E CA 1.183 57.606 56.400 0.037 0.000 0.801 411 E CB -0.032 29.694 29.700 0.044 0.000 0.750 411 E HN 0.285 nan 8.360 nan 0.000 0.452 412 F N 1.092 121.055 119.950 0.021 0.000 2.084 412 F HA 0.019 4.527 4.527 -0.030 0.000 0.296 412 F C 2.213 177.995 175.800 -0.029 0.000 1.111 412 F CA 1.596 59.605 58.000 0.014 0.000 1.224 412 F CB -1.013 38.011 39.000 0.040 0.000 0.991 412 F HN 0.062 nan 8.300 nan 0.000 0.471 413 G N 0.602 109.409 108.800 0.012 0.000 2.446 413 G HA2 -0.350 3.595 3.960 -0.025 0.000 0.217 413 G HA3 -0.350 3.595 3.960 -0.025 0.000 0.217 413 G C 1.819 176.650 174.900 -0.115 0.000 1.168 413 G CA 1.008 46.037 45.100 -0.119 0.000 0.771 413 G HN 0.460 nan 8.290 nan 0.000 0.551 414 M N 0.571 120.057 119.600 -0.190 0.000 2.082 414 M HA -0.131 4.334 4.480 -0.025 0.000 0.258 414 M C 2.500 178.552 176.300 -0.415 0.000 1.069 414 M CA 2.361 57.300 55.300 -0.600 0.000 1.102 414 M CB -0.444 31.637 32.600 -0.866 0.000 1.336 414 M HN 0.209 nan 8.290 nan 0.000 0.404 415 T N 0.758 115.213 114.554 -0.165 0.000 2.812 415 T HA 0.032 4.367 4.350 -0.025 0.000 0.264 415 T C 1.820 176.516 174.700 -0.007 0.000 1.042 415 T CA 1.412 63.486 62.100 -0.043 0.000 1.140 415 T CB -0.445 68.481 68.868 0.095 0.000 0.870 415 T HN 0.604 nan 8.240 nan 0.000 0.445 416 A N 0.866 123.680 122.820 -0.009 0.000 1.968 416 A HA 0.112 4.417 4.320 -0.025 0.000 0.217 416 A C 2.251 179.816 177.584 -0.032 0.000 1.169 416 A CA 0.744 52.764 52.037 -0.029 0.000 0.638 416 A CB -0.691 18.234 19.000 -0.125 0.000 0.812 416 A HN 0.487 nan 8.150 nan 0.000 0.446 417 I N -0.156 120.390 120.570 -0.040 0.000 2.179 417 I HA -0.309 3.846 4.170 -0.025 0.000 0.242 417 I C 2.961 179.090 176.117 0.019 0.000 1.088 417 I CA 1.160 62.464 61.300 0.007 0.000 1.357 417 I CB -0.263 37.788 38.000 0.085 0.000 1.051 417 I HN 0.362 nan 8.210 nan 0.000 0.409 418 A N 0.756 123.576 122.820 0.001 0.000 1.972 418 A HA -0.221 4.084 4.320 -0.025 0.000 0.219 418 A C 1.999 179.604 177.584 0.035 0.000 1.169 418 A CA 1.865 53.912 52.037 0.017 0.000 0.635 418 A CB -0.668 18.323 19.000 -0.016 0.000 0.810 418 A HN 0.426 nan 8.150 nan 0.000 0.446 419 N N 0.366 119.085 118.700 0.033 0.000 2.104 419 N HA -0.127 4.598 4.740 -0.025 0.000 0.190 419 N C 1.823 177.366 175.510 0.056 0.000 1.024 419 N CA 1.574 54.654 53.050 0.049 0.000 0.853 419 N CB -0.883 37.632 38.487 0.047 0.000 1.008 419 N HN 0.478 nan 8.380 nan 0.000 0.424 420 G N 1.046 109.873 108.800 0.045 0.000 2.422 420 G HA2 -0.152 3.793 3.960 -0.025 0.000 0.218 420 G HA3 -0.152 3.793 3.960 -0.025 0.000 0.218 420 G C 1.669 176.622 174.900 0.088 0.000 1.146 420 G CA 0.370 45.505 45.100 0.059 0.000 0.769 420 G HN 0.273 nan 8.290 nan 0.000 0.547 421 I N 1.766 122.371 120.570 0.058 0.000 2.179 421 I HA -0.219 3.936 4.170 -0.025 0.000 0.242 421 I C 3.205 179.421 176.117 0.165 0.000 1.088 421 I CA 1.607 62.947 61.300 0.067 0.000 1.357 421 I CB -0.243 37.741 38.000 -0.028 0.000 1.051 421 I HN 0.346 nan 8.210 nan 0.000 0.409 422 S N 1.147 116.925 115.700 0.130 0.000 2.383 422 S HA -0.110 4.345 4.470 -0.025 0.000 0.227 422 S C 1.986 176.660 174.600 0.124 0.000 1.026 422 S CA 0.865 59.147 58.200 0.136 0.000 0.981 422 S CB -0.837 62.427 63.200 0.105 0.000 0.818 422 S HN 0.397 nan 8.310 nan 0.000 0.472 423 L N 0.874 122.165 121.223 0.113 0.000 2.141 423 L HA -0.069 4.256 4.340 -0.025 0.000 0.209 423 L C 3.020 179.945 176.870 0.091 0.000 1.094 423 L CA 1.516 56.410 54.840 0.089 0.000 0.763 423 L CB -0.727 41.379 42.059 0.078 0.000 0.908 423 L HN 0.491 nan 8.230 nan 0.000 0.437 424 H N 0.703 119.808 119.070 0.058 0.000 2.353 424 H HA -0.036 4.505 4.556 -0.025 0.000 0.300 424 H C 0.834 176.172 175.328 0.018 0.000 1.090 424 H CA 1.216 57.297 56.048 0.055 0.000 1.327 424 H CB 0.191 30.024 29.762 0.117 0.000 1.383 424 H HN 0.302 nan 8.280 nan 0.000 0.508 425 G N -2.177 106.714 108.800 0.152 0.000 2.719 425 G HA2 0.129 4.074 3.960 -0.025 0.000 0.686 425 G HA3 0.129 4.074 3.960 -0.025 0.000 0.686 425 G C 0.695 175.638 174.900 0.070 0.000 1.201 425 G CA 0.275 45.391 45.100 0.027 0.000 0.768 425 G HN 1.029 nan 8.290 nan 0.000 0.629 426 G N -1.019 107.691 108.800 -0.151 0.000 2.232 426 G HA2 0.083 4.028 3.960 -0.025 0.000 0.226 426 G HA3 0.083 4.028 3.960 -0.025 0.000 0.226 426 G C 0.274 174.794 174.900 -0.634 0.000 0.996 426 G CA 0.771 45.599 45.100 -0.452 0.000 0.626 426 G HN 1.708 nan 8.290 nan 0.000 0.509 427 F N -0.613 119.372 119.950 0.059 0.000 2.603 427 F HA 0.771 5.284 4.527 -0.022 0.000 0.317 427 F C 0.005 175.861 175.800 0.092 0.000 1.066 427 F CA -1.026 57.026 58.000 0.087 0.000 0.941 427 F CB 2.046 41.097 39.000 0.086 0.000 1.291 427 F HN 0.048 nan 8.300 nan 0.000 0.472 428 L N 4.994 126.440 121.223 0.372 0.000 2.353 428 L HA 0.522 4.847 4.340 -0.025 0.000 0.270 428 L C -2.662 174.447 176.870 0.397 0.000 1.003 428 L CA -1.924 53.113 54.840 0.328 0.000 0.862 428 L CB 1.525 43.759 42.059 0.291 0.000 1.221 428 L HN 0.246 nan 8.230 nan 0.000 0.430 429 P HA 0.217 nan 4.420 nan 0.000 0.284 429 P C -1.778 175.645 177.300 0.204 0.000 1.253 429 P CA -0.013 63.180 63.100 0.154 0.000 0.800 429 P CB 0.900 32.651 31.700 0.084 0.000 0.961 430 Y N -0.568 119.777 120.300 0.075 0.000 2.446 430 Y HA 0.783 5.398 4.550 0.108 0.000 0.345 430 Y C -0.290 175.605 175.900 -0.007 0.000 0.984 430 Y CA -1.030 57.081 58.100 0.018 0.000 1.058 430 Y CB 1.276 39.769 38.460 0.056 0.000 1.220 430 Y HN 0.465 nan 8.280 nan 0.000 0.455 431 T N -0.317 114.309 114.554 0.120 0.000 2.907 431 T HA 0.804 5.139 4.350 -0.025 0.000 0.290 431 T C -0.810 173.929 174.700 0.064 0.000 1.066 431 T CA -0.905 61.205 62.100 0.016 0.000 1.012 431 T CB 1.685 70.488 68.868 -0.109 0.000 1.184 431 T HN 0.895 nan 8.240 nan 0.000 0.522 432 S N -0.417 115.331 115.700 0.079 0.000 2.542 432 S HA 0.712 5.167 4.470 -0.025 0.000 0.276 432 S C -1.124 173.572 174.600 0.159 0.000 1.148 432 S CA -0.343 57.945 58.200 0.146 0.000 0.886 432 S CB 1.724 65.045 63.200 0.201 0.000 1.109 432 S HN 1.261 nan 8.310 nan 0.000 0.458 433 T N 2.150 116.858 114.554 0.257 0.000 2.693 433 T HA 0.626 4.961 4.350 -0.025 0.000 0.304 433 T C -1.581 173.265 174.700 0.243 0.000 1.471 433 T CA -0.496 61.680 62.100 0.127 0.000 0.993 433 T CB 0.108 69.029 68.868 0.088 0.000 1.554 433 T HN 0.358 nan 8.240 nan 0.000 0.496 434 F N 2.460 122.469 119.950 0.099 0.000 2.563 434 F HA 0.253 4.766 4.527 -0.022 0.000 0.363 434 F C 1.576 177.302 175.800 -0.123 0.000 1.123 434 F CA -0.987 56.999 58.000 -0.023 0.000 1.307 434 F CB 0.020 38.919 39.000 -0.168 0.000 1.115 434 F HN 0.482 nan 8.300 nan 0.000 0.592 435 L N 3.331 124.612 121.223 0.096 0.000 2.043 435 L HA -0.267 4.058 4.340 -0.025 0.000 0.212 435 L C 2.237 178.932 176.870 -0.293 0.000 1.075 435 L CA 1.761 56.520 54.840 -0.136 0.000 0.752 435 L CB -0.845 41.196 42.059 -0.031 0.000 0.891 435 L HN 0.740 nan 8.230 nan 0.000 0.432 436 M N -0.823 118.548 119.600 -0.382 0.000 2.106 436 M HA -0.229 4.236 4.480 -0.025 0.000 0.259 436 M C 1.565 177.595 176.300 -0.451 0.000 1.068 436 M CA 1.858 56.842 55.300 -0.526 0.000 1.100 436 M CB -0.603 31.472 32.600 -0.876 0.000 1.351 436 M HN 0.251 nan 8.290 nan 0.000 0.404 437 F N -1.324 118.555 119.950 -0.118 0.000 2.811 437 F HA 0.148 4.657 4.527 -0.030 0.000 0.301 437 F C 2.129 177.841 175.800 -0.148 0.000 1.151 437 F CA 0.032 57.933 58.000 -0.166 0.000 1.412 437 F CB -1.697 37.094 39.000 -0.349 0.000 1.113 437 F HN -0.002 nan 8.300 nan 0.000 0.579 438 V N 0.448 120.243 119.914 -0.199 0.000 2.546 438 V HA -0.280 3.825 4.120 -0.025 0.000 0.254 438 V C 2.045 178.081 176.094 -0.096 0.000 1.076 438 V CA 2.123 64.242 62.300 -0.301 0.000 1.087 438 V CB -0.186 31.255 31.823 -0.637 0.000 0.674 438 V HN 0.369 nan 8.190 nan 0.000 0.470 439 E N -1.204 118.991 120.200 -0.008 0.000 2.204 439 E HA -0.218 4.117 4.350 -0.025 0.000 0.195 439 E C 2.014 178.637 176.600 0.038 0.000 0.990 439 E CA 1.442 57.854 56.400 0.019 0.000 0.821 439 E CB -0.190 29.542 29.700 0.053 0.000 0.750 439 E HN 0.755 nan 8.360 nan 0.000 0.477 440 Y N 0.267 120.526 120.300 -0.067 0.000 2.293 440 Y HA -0.069 4.465 4.550 -0.026 0.000 0.291 440 Y C 2.080 177.820 175.900 -0.267 0.000 1.137 440 Y CA 1.015 59.048 58.100 -0.111 0.000 1.202 440 Y CB -0.037 38.412 38.460 -0.018 0.000 0.990 440 Y HN -0.012 nan 8.280 nan 0.000 0.537 441 A N -1.132 121.666 122.820 -0.037 0.000 2.423 441 A HA 0.204 4.509 4.320 -0.025 0.000 0.246 441 A C 1.901 179.379 177.584 -0.176 0.000 1.278 441 A CA -0.107 51.880 52.037 -0.084 0.000 0.903 441 A CB -0.291 18.779 19.000 0.117 0.000 0.997 441 A HN 0.163 nan 8.150 nan 0.000 0.510 442 R N 1.324 121.674 120.500 -0.251 0.000 2.083 442 R HA -0.138 4.187 4.340 -0.025 0.000 0.237 442 R C 1.831 178.068 176.300 -0.106 0.000 1.137 442 R CA 2.220 58.231 56.100 -0.148 0.000 0.951 442 R CB -0.617 29.596 30.300 -0.144 0.000 0.851 442 R HN 0.658 nan 8.270 nan 0.000 0.434 443 N N -0.620 117.968 118.700 -0.186 0.000 2.331 443 N HA -0.085 4.640 4.740 -0.025 0.000 0.180 443 N C 1.252 176.837 175.510 0.126 0.000 1.019 443 N CA 0.984 54.019 53.050 -0.025 0.000 0.881 443 N CB 0.075 38.557 38.487 -0.008 0.000 0.972 443 N HN 0.334 nan 8.380 nan 0.000 0.435 444 A N 0.517 123.486 122.820 0.248 0.000 1.968 444 A HA -0.026 4.279 4.320 -0.025 0.000 0.217 444 A C 2.363 180.039 177.584 0.154 0.000 1.169 444 A CA 0.788 52.991 52.037 0.276 0.000 0.638 444 A CB -0.500 18.736 19.000 0.395 0.000 0.812 444 A HN 0.150 nan 8.150 nan 0.000 0.446 445 V N 0.085 120.073 119.914 0.125 0.000 2.295 445 V HA -0.264 3.841 4.120 -0.025 0.000 0.246 445 V C 2.622 178.770 176.094 0.090 0.000 1.049 445 V CA 2.284 64.653 62.300 0.114 0.000 1.024 445 V CB -0.805 31.090 31.823 0.120 0.000 0.648 445 V HN 0.660 nan 8.190 nan 0.000 0.447 446 R N -0.586 119.955 120.500 0.068 0.000 2.091 446 R HA -0.183 4.143 4.340 -0.025 0.000 0.238 446 R C 2.332 178.670 176.300 0.063 0.000 1.136 446 R CA 1.720 57.854 56.100 0.056 0.000 0.959 446 R CB -0.195 30.125 30.300 0.035 0.000 0.856 446 R HN 0.310 nan 8.270 nan 0.000 0.437 447 M N 0.005 119.649 119.600 0.074 0.000 2.159 447 M HA -0.085 4.380 4.480 -0.025 0.000 0.263 447 M C 2.368 178.711 176.300 0.071 0.000 1.063 447 M CA 1.555 56.897 55.300 0.070 0.000 1.110 447 M CB -1.019 31.628 32.600 0.079 0.000 1.374 447 M HN 0.283 nan 8.290 nan 0.000 0.411 448 A N 0.244 123.111 122.820 0.079 0.000 1.902 448 A HA -0.020 4.285 4.320 -0.025 0.000 0.217 448 A C 2.448 180.078 177.584 0.078 0.000 1.181 448 A CA 2.155 54.238 52.037 0.077 0.000 0.623 448 A CB -0.886 18.162 19.000 0.081 0.000 0.818 448 A HN 0.469 nan 8.150 nan 0.000 0.443 449 A N -0.501 122.366 122.820 0.079 0.000 1.877 449 A HA -0.027 4.278 4.320 -0.025 0.000 0.216 449 A C 2.138 179.768 177.584 0.076 0.000 1.186 449 A CA 1.730 53.814 52.037 0.079 0.000 0.620 449 A CB -0.682 18.364 19.000 0.077 0.000 0.822 449 A HN 0.729 nan 8.150 nan 0.000 0.443 450 L N -0.497 120.767 121.223 0.068 0.000 2.042 450 L HA -0.073 4.252 4.340 -0.025 0.000 0.210 450 L C 2.248 179.164 176.870 0.077 0.000 1.076 450 L CA 2.041 56.920 54.840 0.066 0.000 0.749 450 L CB -0.414 41.673 42.059 0.047 0.000 0.893 450 L HN 0.437 nan 8.230 nan 0.000 0.432 451 M N -0.786 118.859 119.600 0.074 0.000 2.618 451 M HA 0.002 4.467 4.480 -0.025 0.000 0.240 451 M C 0.234 176.586 176.300 0.086 0.000 1.123 451 M CA 0.296 55.645 55.300 0.081 0.000 1.060 451 M CB -0.011 32.631 32.600 0.071 0.000 1.535 451 M HN 0.124 nan 8.290 nan 0.000 0.507 452 K N 0.963 121.414 120.400 0.084 0.000 3.096 452 K HA -0.143 4.162 4.320 -0.025 0.000 0.266 452 K C -0.669 175.973 176.600 0.071 0.000 1.043 452 K CA 0.392 56.726 56.287 0.079 0.000 0.758 452 K CB -1.304 31.244 32.500 0.080 0.000 1.260 452 K HN 0.379 nan 8.250 nan 0.000 0.481 453 Q N 0.974 120.818 119.800 0.072 0.000 2.230 453 Q HA 0.214 4.539 4.340 -0.025 0.000 0.253 453 Q C 0.054 176.096 176.000 0.070 0.000 0.919 453 Q CA -0.394 55.451 55.803 0.070 0.000 0.908 453 Q CB 1.540 30.321 28.738 0.072 0.000 1.245 453 Q HN 0.235 nan 8.270 nan 0.000 0.437 454 R N 2.238 122.779 120.500 0.068 0.000 2.242 454 R HA 0.153 4.478 4.340 -0.025 0.000 0.334 454 R C -0.653 175.700 176.300 0.089 0.000 1.071 454 R CA 0.219 56.361 56.100 0.071 0.000 0.922 454 R CB 0.454 30.790 30.300 0.059 0.000 1.023 454 R HN 0.618 nan 8.270 nan 0.000 0.458 455 Q N 3.734 123.583 119.800 0.081 0.000 2.295 455 Q HA 0.237 4.562 4.340 -0.025 0.000 0.268 455 Q C -1.818 174.202 176.000 0.034 0.000 1.010 455 Q CA -0.780 55.071 55.803 0.080 0.000 0.856 455 Q CB 2.332 31.108 28.738 0.063 0.000 1.349 455 Q HN 0.442 nan 8.270 nan 0.000 0.412 456 V N 4.514 124.443 119.914 0.025 0.000 2.383 456 V HA 0.403 4.508 4.120 -0.025 0.000 0.275 456 V C -0.353 175.627 176.094 -0.190 0.000 1.036 456 V CA -0.343 61.864 62.300 -0.154 0.000 0.889 456 V CB 1.165 32.770 31.823 -0.363 0.000 0.985 456 V HN 0.811 nan 8.190 nan 0.000 0.459 457 M N 5.680 125.085 119.600 -0.324 0.000 2.066 457 M HA 0.395 4.860 4.480 -0.025 0.000 0.340 457 M C -0.562 175.274 176.300 -0.772 0.000 1.053 457 M CA -0.001 54.965 55.300 -0.557 0.000 0.983 457 M CB 1.592 33.782 32.600 -0.685 0.000 1.520 457 M HN 0.347 nan 8.290 nan 0.000 0.428 458 V N 5.199 124.794 119.914 -0.532 0.000 2.320 458 V HA 0.256 4.361 4.120 -0.025 0.000 0.265 458 V C -1.117 174.910 176.094 -0.110 0.000 1.048 458 V CA -0.524 61.614 62.300 -0.270 0.000 0.865 458 V CB -0.455 31.356 31.823 -0.019 0.000 1.043 458 V HN 0.532 nan 8.190 nan 0.000 0.474 459 Y N 3.103 123.447 120.300 0.075 0.000 2.478 459 Y HA 0.508 5.052 4.550 -0.010 0.000 0.329 459 Y C 0.934 176.923 175.900 0.148 0.000 0.967 459 Y CA -1.207 56.957 58.100 0.107 0.000 1.255 459 Y CB 1.394 39.894 38.460 0.067 0.000 1.103 459 Y HN 0.690 nan 8.280 nan 0.000 0.497 460 T N -1.714 113.083 114.554 0.406 0.000 2.884 460 T HA 0.407 4.742 4.350 -0.025 0.000 0.277 460 T C -0.470 174.486 174.700 0.426 0.000 0.976 460 T CA -0.539 61.808 62.100 0.411 0.000 0.956 460 T CB 0.578 69.768 68.868 0.536 0.000 1.113 460 T HN 0.688 nan 8.240 nan 0.000 0.554 461 H N 0.236 119.334 119.070 0.048 0.000 2.827 461 H HA -0.077 4.464 4.556 -0.026 0.000 0.330 461 H C 0.547 175.816 175.328 -0.098 0.000 1.236 461 H CA 0.833 56.809 56.048 -0.120 0.000 1.165 461 H CB -1.755 27.728 29.762 -0.465 0.000 1.532 461 H HN 0.829 nan 8.280 nan 0.000 0.434 462 D N -1.054 119.361 120.400 0.025 0.000 2.355 462 D HA 0.036 4.661 4.640 -0.025 0.000 0.218 462 D C 0.940 177.222 176.300 -0.030 0.000 1.004 462 D CA 0.895 54.905 54.000 0.016 0.000 0.880 462 D CB 0.400 41.224 40.800 0.041 0.000 0.911 462 D HN 0.505 nan 8.370 nan 0.000 0.528 463 S N -0.667 114.998 115.700 -0.058 0.000 2.757 463 S HA 0.273 4.728 4.470 -0.025 0.000 0.285 463 S C 1.189 175.699 174.600 -0.151 0.000 1.196 463 S CA -0.376 57.768 58.200 -0.094 0.000 0.856 463 S CB -0.083 63.074 63.200 -0.072 0.000 1.212 463 S HN 0.034 nan 8.310 nan 0.000 0.516 464 I N -0.434 119.997 120.570 -0.232 0.000 2.623 464 I HA 0.142 4.297 4.170 -0.025 0.000 0.261 464 I C 1.995 177.838 176.117 -0.456 0.000 1.204 464 I CA 1.583 62.689 61.300 -0.323 0.000 1.444 464 I CB -1.215 36.561 38.000 -0.373 0.000 1.094 464 I HN 0.732 nan 8.210 nan 0.000 0.451 465 G N 2.797 111.352 108.800 -0.409 0.000 2.501 465 G HA2 -0.205 3.740 3.960 -0.025 0.000 0.220 465 G HA3 -0.205 3.740 3.960 -0.025 0.000 0.220 465 G C 1.563 176.384 174.900 -0.133 0.000 1.114 465 G CA 1.061 46.047 45.100 -0.190 0.000 0.757 465 G HN 0.644 nan 8.290 nan 0.000 0.559 466 L N -1.087 120.040 121.223 -0.159 0.000 2.291 466 L HA 0.425 4.750 4.340 -0.025 0.000 0.214 466 L C 1.613 178.416 176.870 -0.112 0.000 1.120 466 L CA 0.931 55.679 54.840 -0.153 0.000 0.799 466 L CB -0.864 41.115 42.059 -0.134 0.000 0.925 466 L HN 0.456 nan 8.230 nan 0.000 0.446 467 G N 0.183 108.907 108.800 -0.126 0.000 2.552 467 G HA2 -0.398 3.547 3.960 -0.025 0.000 0.267 467 G HA3 -0.398 3.547 3.960 -0.025 0.000 0.267 467 G C 0.660 175.518 174.900 -0.069 0.000 1.174 467 G CA 0.467 45.511 45.100 -0.094 0.000 0.955 467 G HN 0.372 nan 8.290 nan 0.000 0.546 468 E N 1.044 121.211 120.200 -0.054 0.000 2.265 468 E HA 0.057 4.392 4.350 -0.025 0.000 0.196 468 E C 1.925 178.482 176.600 -0.072 0.000 0.996 468 E CA 1.212 57.584 56.400 -0.047 0.000 0.832 468 E CB -0.146 29.535 29.700 -0.032 0.000 0.756 468 E HN 0.457 nan 8.360 nan 0.000 0.491 469 D N -0.147 120.185 120.400 -0.113 0.000 2.263 469 D HA -0.010 4.615 4.640 -0.025 0.000 0.208 469 D C 1.064 177.261 176.300 -0.172 0.000 0.971 469 D CA 1.312 55.176 54.000 -0.228 0.000 0.867 469 D CB -0.192 40.356 40.800 -0.419 0.000 0.929 469 D HN 0.240 nan 8.370 nan 0.000 0.492 470 G N 0.061 108.818 108.800 -0.072 0.000 2.698 470 G HA2 -0.198 3.748 3.960 -0.025 0.000 0.225 470 G HA3 -0.198 3.748 3.960 -0.025 0.000 0.225 470 G C -1.948 172.974 174.900 0.036 0.000 1.345 470 G CA -0.133 44.962 45.100 -0.009 0.000 0.871 470 G HN -0.018 nan 8.290 nan 0.000 0.540 471 P HA -0.081 nan 4.420 nan 0.000 0.222 471 P C 1.871 179.196 177.300 0.041 0.000 1.147 471 P CA 2.652 65.785 63.100 0.054 0.000 0.790 471 P CB -0.347 31.379 31.700 0.045 0.000 0.780 472 T N -4.817 109.791 114.554 0.090 0.000 3.035 472 T HA -0.098 4.237 4.350 -0.025 0.000 0.268 472 T C 1.463 176.256 174.700 0.156 0.000 1.109 472 T CA 1.165 63.349 62.100 0.139 0.000 1.119 472 T CB -0.892 68.119 68.868 0.238 0.000 0.900 472 T HN 0.154 nan 8.240 nan 0.000 0.503 473 H N 0.492 119.541 119.070 -0.034 0.000 2.681 473 H HA 0.400 4.942 4.556 -0.024 0.000 0.268 473 H C 0.586 175.798 175.328 -0.193 0.000 0.967 473 H CA -0.058 55.906 56.048 -0.140 0.000 1.233 473 H CB 0.207 29.924 29.762 -0.074 0.000 1.445 473 H HN 0.431 nan 8.280 nan 0.000 0.494 474 Q N 2.309 122.110 119.800 0.003 0.000 2.344 474 Q HA 0.188 4.513 4.340 -0.025 0.000 0.253 474 Q C -2.441 173.524 176.000 -0.059 0.000 1.050 474 Q CA -1.997 53.776 55.803 -0.050 0.000 0.912 474 Q CB 1.004 29.714 28.738 -0.047 0.000 1.258 474 Q HN 0.168 nan 8.270 nan 0.000 0.443 475 P HA -0.066 nan 4.420 nan 0.000 0.268 475 P C -0.303 176.963 177.300 -0.056 0.000 1.205 475 P CA 0.102 63.157 63.100 -0.074 0.000 0.771 475 P CB 1.088 32.738 31.700 -0.083 0.000 0.858 476 V N 1.837 121.730 119.914 -0.035 0.000 3.161 476 V HA 0.025 4.130 4.120 -0.025 0.000 0.221 476 V C 1.680 177.756 176.094 -0.030 0.000 1.296 476 V CA 0.663 62.936 62.300 -0.045 0.000 1.306 476 V CB -0.313 31.468 31.823 -0.070 0.000 1.171 476 V HN 0.561 nan 8.190 nan 0.000 0.513 477 E N 0.112 120.295 120.200 -0.028 0.000 2.481 477 E HA -0.016 4.319 4.350 -0.025 0.000 0.198 477 E C 1.492 178.068 176.600 -0.040 0.000 1.027 477 E CA 0.218 56.602 56.400 -0.026 0.000 0.900 477 E CB 0.467 30.152 29.700 -0.024 0.000 0.993 477 E HN 0.483 nan 8.360 nan 0.000 0.482 478 Q N 0.914 120.685 119.800 -0.049 0.000 2.079 478 Q HA -0.010 4.315 4.340 -0.025 0.000 0.200 478 Q C 2.302 178.256 176.000 -0.077 0.000 0.974 478 Q CA 1.461 57.224 55.803 -0.067 0.000 0.840 478 Q CB -0.356 28.327 28.738 -0.091 0.000 0.898 478 Q HN 0.152 nan 8.270 nan 0.000 0.430 479 V N 0.729 120.595 119.914 -0.081 0.000 2.343 479 V HA -0.274 3.831 4.120 -0.025 0.000 0.247 479 V C 2.155 178.127 176.094 -0.204 0.000 1.051 479 V CA 1.745 63.980 62.300 -0.109 0.000 1.036 479 V CB -1.159 30.608 31.823 -0.093 0.000 0.654 479 V HN 0.419 nan 8.190 nan 0.000 0.451 480 A N -0.510 122.168 122.820 -0.237 0.000 1.940 480 A HA -0.256 4.049 4.320 -0.025 0.000 0.219 480 A C 2.568 180.065 177.584 -0.145 0.000 1.176 480 A CA 2.254 54.102 52.037 -0.316 0.000 0.631 480 A CB -0.773 18.143 19.000 -0.140 0.000 0.814 480 A HN 0.510 nan 8.150 nan 0.000 0.446 481 S N -0.513 115.137 115.700 -0.084 0.000 2.368 481 S HA -0.108 4.347 4.470 -0.025 0.000 0.225 481 S C 1.929 176.506 174.600 -0.038 0.000 1.030 481 S CA 1.495 59.669 58.200 -0.044 0.000 0.999 481 S CB -0.470 62.706 63.200 -0.040 0.000 0.844 481 S HN 0.499 nan 8.310 nan 0.000 0.459 482 L N 0.673 121.866 121.223 -0.050 0.000 2.056 482 L HA 0.008 4.333 4.340 -0.025 0.000 0.207 482 L C 2.929 179.780 176.870 -0.032 0.000 1.078 482 L CA 1.203 56.032 54.840 -0.018 0.000 0.749 482 L CB -0.438 41.626 42.059 0.009 0.000 0.901 482 L HN 0.251 nan 8.230 nan 0.000 0.433 483 R N -0.165 120.274 120.500 -0.102 0.000 2.120 483 R HA -0.117 4.209 4.340 -0.025 0.000 0.234 483 R C 1.844 178.148 176.300 0.007 0.000 1.123 483 R CA 1.566 57.605 56.100 -0.102 0.000 0.975 483 R CB -0.291 29.817 30.300 -0.319 0.000 0.866 483 R HN 0.399 nan 8.270 nan 0.000 0.446 484 V N -2.250 117.677 119.914 0.021 0.000 3.596 484 V HA 0.145 4.250 4.120 -0.025 0.000 0.289 484 V C 0.279 176.393 176.094 0.033 0.000 1.336 484 V CA 0.016 62.346 62.300 0.050 0.000 1.137 484 V CB 0.355 32.214 31.823 0.060 0.000 0.966 484 V HN -0.086 nan 8.190 nan 0.000 0.428 485 T N 4.154 118.725 114.554 0.028 0.000 2.749 485 T HA 0.391 4.726 4.350 -0.025 0.000 0.295 485 T C -2.405 172.322 174.700 0.045 0.000 0.936 485 T CA -0.602 61.518 62.100 0.033 0.000 1.060 485 T CB 1.041 69.929 68.868 0.035 0.000 0.904 485 T HN 0.331 nan 8.240 nan 0.000 0.500 486 P HA 0.083 nan 4.420 nan 0.000 0.264 486 P C 0.668 178.007 177.300 0.065 0.000 1.183 486 P CA 0.290 63.423 63.100 0.054 0.000 0.763 486 P CB 0.222 31.952 31.700 0.050 0.000 0.807 487 N N 0.217 118.962 118.700 0.075 0.000 2.778 487 N HA -0.214 4.511 4.740 -0.025 0.000 0.249 487 N C -0.256 175.314 175.510 0.100 0.000 1.069 487 N CA 0.867 53.970 53.050 0.088 0.000 0.831 487 N CB -1.258 37.280 38.487 0.085 0.000 1.142 487 N HN 0.356 nan 8.380 nan 0.000 0.573 488 M N 0.407 120.062 119.600 0.092 0.000 2.249 488 M HA 0.448 4.913 4.480 -0.025 0.000 0.351 488 M C -0.086 176.285 176.300 0.119 0.000 1.180 488 M CA -0.312 55.049 55.300 0.101 0.000 1.127 488 M CB 1.416 34.064 32.600 0.079 0.000 1.546 488 M HN 0.104 nan 8.290 nan 0.000 0.461 489 S N 2.469 118.268 115.700 0.165 0.000 2.454 489 S HA 0.801 5.256 4.470 -0.025 0.000 0.306 489 S C -1.155 173.548 174.600 0.171 0.000 1.100 489 S CA -0.493 57.827 58.200 0.199 0.000 1.087 489 S CB 0.647 64.106 63.200 0.432 0.000 1.019 489 S HN 0.792 nan 8.310 nan 0.000 0.480 490 T N 4.928 119.490 114.554 0.012 0.000 2.881 490 T HA 0.466 4.801 4.350 -0.025 0.000 0.291 490 T C -1.575 173.014 174.700 -0.185 0.000 0.990 490 T CA -0.322 61.782 62.100 0.007 0.000 0.976 490 T CB 0.424 69.270 68.868 -0.038 0.000 0.970 490 T HN 0.626 nan 8.240 nan 0.000 0.438 491 W N 2.161 123.433 121.300 -0.046 0.000 2.600 491 W HA 0.592 5.238 4.660 -0.023 0.000 0.325 491 W C 0.434 176.942 176.519 -0.018 0.000 1.034 491 W CA -0.998 56.318 57.345 -0.049 0.000 1.226 491 W CB 1.328 30.742 29.460 -0.077 0.000 1.379 491 W HN 0.399 nan 8.180 nan 0.000 0.466 492 R N 5.091 125.678 120.500 0.146 0.000 2.587 492 R HA 0.315 4.640 4.340 -0.025 0.000 0.283 492 R C -2.471 173.906 176.300 0.128 0.000 1.472 492 R CA -1.693 54.475 56.100 0.113 0.000 1.578 492 R CB 0.593 30.928 30.300 0.059 0.000 1.130 492 R HN 0.091 nan 8.270 nan 0.000 0.602 493 P HA -0.004 nan 4.420 nan 0.000 0.271 493 P C 0.754 178.110 177.300 0.094 0.000 1.218 493 P CA -0.218 62.980 63.100 0.162 0.000 0.780 493 P CB 1.140 32.937 31.700 0.162 0.000 0.901 494 C N 0.714 120.063 119.300 0.081 0.000 2.673 494 C HA 0.226 4.671 4.460 -0.025 0.000 0.264 494 C C 0.414 175.417 174.990 0.022 0.000 1.304 494 C CA 0.213 59.248 59.018 0.030 0.000 1.727 494 C CB -1.397 26.347 27.740 0.007 0.000 1.932 494 C HN 0.664 nan 8.230 nan 0.000 0.563 495 D N -0.875 119.550 120.400 0.042 0.000 2.779 495 D HA 0.108 4.733 4.640 -0.025 0.000 0.331 495 D C 0.719 177.038 176.300 0.032 0.000 1.331 495 D CA -0.076 53.939 54.000 0.025 0.000 0.866 495 D CB 0.283 41.090 40.800 0.012 0.000 1.409 495 D HN 0.263 nan 8.370 nan 0.000 0.486 496 Q N -0.317 119.489 119.800 0.009 0.000 2.224 496 Q HA -0.020 4.305 4.340 -0.025 0.000 0.203 496 Q C 1.224 177.211 176.000 -0.021 0.000 0.970 496 Q CA 1.565 57.367 55.803 -0.001 0.000 0.865 496 Q CB -0.329 28.393 28.738 -0.027 0.000 0.922 496 Q HN 0.288 nan 8.270 nan 0.000 0.445 497 V N 1.632 121.530 119.914 -0.026 0.000 2.283 497 V HA -0.196 3.909 4.120 -0.025 0.000 0.243 497 V C 2.124 178.228 176.094 0.016 0.000 1.039 497 V CA 2.017 64.293 62.300 -0.040 0.000 1.016 497 V CB -0.622 31.177 31.823 -0.039 0.000 0.650 497 V HN 0.373 nan 8.190 nan 0.000 0.449 498 E N 0.492 120.730 120.200 0.063 0.000 2.160 498 E HA -0.185 4.151 4.350 -0.025 0.000 0.195 498 E C 2.400 179.066 176.600 0.110 0.000 0.991 498 E CA 1.551 58.022 56.400 0.118 0.000 0.810 498 E CB -0.198 29.610 29.700 0.181 0.000 0.742 498 E HN 0.527 nan 8.360 nan 0.000 0.466 499 S N 0.710 116.471 115.700 0.101 0.000 2.368 499 S HA -0.159 4.296 4.470 -0.025 0.000 0.225 499 S C 2.126 176.829 174.600 0.172 0.000 1.030 499 S CA 1.043 59.322 58.200 0.131 0.000 0.999 499 S CB -0.130 63.149 63.200 0.131 0.000 0.844 499 S HN 0.396 nan 8.310 nan 0.000 0.459 500 A N 1.019 123.920 122.820 0.135 0.000 1.930 500 A HA -0.004 4.301 4.320 -0.025 0.000 0.217 500 A C 2.316 180.030 177.584 0.217 0.000 1.175 500 A CA 1.247 53.403 52.037 0.198 0.000 0.627 500 A CB -0.818 18.261 19.000 0.132 0.000 0.815 500 A HN 0.333 nan 8.150 nan 0.000 0.443 501 V N -0.051 119.919 119.914 0.094 0.000 2.343 501 V HA -0.269 3.836 4.120 -0.025 0.000 0.247 501 V C 3.045 179.047 176.094 -0.153 0.000 1.051 501 V CA 1.990 64.301 62.300 0.019 0.000 1.036 501 V CB -1.204 30.611 31.823 -0.013 0.000 0.654 501 V HN 0.611 nan 8.190 nan 0.000 0.451 502 A N -1.444 121.207 122.820 -0.282 0.000 1.898 502 A HA -0.244 4.061 4.320 -0.025 0.000 0.216 502 A C 1.969 179.368 177.584 -0.309 0.000 1.181 502 A CA 1.735 53.350 52.037 -0.703 0.000 0.620 502 A CB -0.855 17.898 19.000 -0.412 0.000 0.819 502 A HN 0.652 nan 8.150 nan 0.000 0.442 503 W N 0.267 121.517 121.300 -0.083 0.000 2.358 503 W HA -0.156 4.457 4.660 -0.077 0.000 0.303 503 W C 2.466 179.183 176.519 0.329 0.000 1.208 503 W CA 1.963 59.362 57.345 0.090 0.000 1.274 503 W CB 0.093 29.555 29.460 0.003 0.000 1.138 503 W HN 0.318 nan 8.180 nan 0.000 0.515 504 K N -0.688 120.098 120.400 0.642 0.000 2.026 504 K HA -0.294 4.011 4.320 -0.025 0.000 0.208 504 K C 2.021 178.784 176.600 0.271 0.000 1.048 504 K CA 1.793 58.388 56.287 0.512 0.000 0.929 504 K CB -0.848 31.869 32.500 0.361 0.000 0.713 504 K HN 0.213 nan 8.250 nan 0.000 0.439 505 Y N 0.749 121.029 120.300 -0.034 0.000 2.128 505 Y HA -0.208 4.324 4.550 -0.029 0.000 0.284 505 Y C 2.095 177.966 175.900 -0.048 0.000 1.154 505 Y CA 2.076 60.106 58.100 -0.117 0.000 1.149 505 Y CB -0.644 37.555 38.460 -0.436 0.000 0.976 505 Y HN 0.197 nan 8.280 nan 0.000 0.505 506 G N -0.427 108.449 108.800 0.126 0.000 2.421 506 G HA2 -0.285 3.660 3.960 -0.025 0.000 0.216 506 G HA3 -0.285 3.660 3.960 -0.025 0.000 0.216 506 G C 1.626 176.580 174.900 0.089 0.000 1.171 506 G CA 1.883 47.027 45.100 0.073 0.000 0.775 506 G HN 0.517 nan 8.290 nan 0.000 0.543 507 V N -1.686 118.342 119.914 0.190 0.000 2.667 507 V HA 0.082 4.187 4.120 -0.025 0.000 0.252 507 V C 1.974 178.048 176.094 -0.033 0.000 1.065 507 V CA 2.108 64.487 62.300 0.131 0.000 1.083 507 V CB -0.405 31.510 31.823 0.153 0.000 0.692 507 V HN 0.430 nan 8.190 nan 0.000 0.468 508 E N 0.354 120.532 120.200 -0.036 0.000 2.478 508 E HA 0.110 4.445 4.350 -0.025 0.000 0.194 508 E C 1.124 177.650 176.600 -0.124 0.000 1.045 508 E CA -0.283 56.064 56.400 -0.087 0.000 0.868 508 E CB 0.184 29.854 29.700 -0.051 0.000 0.885 508 E HN 0.554 nan 8.360 nan 0.000 0.505 509 R N 1.841 122.264 120.500 -0.129 0.000 2.248 509 R HA 0.044 4.369 4.340 -0.025 0.000 0.337 509 R C 0.791 177.066 176.300 -0.042 0.000 1.085 509 R CA 0.107 56.130 56.100 -0.128 0.000 0.934 509 R CB 0.284 30.521 30.300 -0.105 0.000 1.034 509 R HN 0.126 nan 8.270 nan 0.000 0.465 510 Q N 1.637 121.413 119.800 -0.039 0.000 2.398 510 Q HA -0.063 4.262 4.340 -0.025 0.000 0.204 510 Q C -0.112 175.895 176.000 0.012 0.000 0.932 510 Q CA 0.867 56.662 55.803 -0.013 0.000 0.916 510 Q CB 0.518 29.243 28.738 -0.022 0.000 1.024 510 Q HN 0.686 nan 8.270 nan 0.000 0.504 511 D N -1.002 119.410 120.400 0.020 0.000 2.571 511 D HA 0.291 4.916 4.640 -0.025 0.000 0.239 511 D C 0.328 176.665 176.300 0.061 0.000 1.267 511 D CA -0.148 53.876 54.000 0.040 0.000 0.823 511 D CB 0.633 41.454 40.800 0.036 0.000 1.056 511 D HN 0.107 nan 8.370 nan 0.000 0.494 512 G N 0.181 109.021 108.800 0.067 0.000 2.338 512 G HA2 0.412 4.357 3.960 -0.025 0.000 0.295 512 G HA3 0.412 4.357 3.960 -0.025 0.000 0.295 512 G C -3.458 171.499 174.900 0.095 0.000 1.461 512 G CA -1.056 44.096 45.100 0.087 0.000 0.817 512 G HN -0.069 nan 8.290 nan 0.000 0.556 513 P HA 0.544 nan 4.420 nan 0.000 0.278 513 P C -0.736 176.639 177.300 0.124 0.000 1.266 513 P CA -0.153 63.003 63.100 0.093 0.000 0.807 513 P CB 1.704 33.454 31.700 0.082 0.000 1.094 514 T N 0.110 114.717 114.554 0.088 0.000 2.949 514 T HA 0.560 4.895 4.350 -0.025 0.000 0.300 514 T C -0.536 174.164 174.700 -0.001 0.000 0.988 514 T CA -0.323 61.851 62.100 0.122 0.000 0.993 514 T CB 1.063 70.015 68.868 0.140 0.000 0.984 514 T HN 0.467 nan 8.240 nan 0.000 0.442 515 A N 4.128 126.983 122.820 0.057 0.000 2.274 515 A HA 0.785 5.091 4.320 -0.025 0.000 0.309 515 A C -0.292 177.302 177.584 0.016 0.000 1.226 515 A CA -0.635 51.385 52.037 -0.029 0.000 0.853 515 A CB 0.216 19.295 19.000 0.131 0.000 1.146 515 A HN 0.854 nan 8.150 nan 0.000 0.518 516 L N 3.815 124.965 121.223 -0.123 0.000 2.272 516 L HA 0.408 4.733 4.340 -0.025 0.000 0.289 516 L C -0.706 176.195 176.870 0.052 0.000 1.032 516 L CA -0.616 54.192 54.840 -0.052 0.000 0.810 516 L CB 1.228 43.147 42.059 -0.234 0.000 1.205 516 L HN 0.482 nan 8.230 nan 0.000 0.422 517 I N 5.616 126.255 120.570 0.114 0.000 2.330 517 I HA 0.418 4.573 4.170 -0.025 0.000 0.286 517 I C -0.133 176.052 176.117 0.113 0.000 1.025 517 I CA -0.182 61.199 61.300 0.135 0.000 1.197 517 I CB 0.953 39.018 38.000 0.108 0.000 1.358 517 I HN 0.485 nan 8.210 nan 0.000 0.467 518 L N 5.051 126.350 121.223 0.127 0.000 2.354 518 L HA 0.530 4.855 4.340 -0.025 0.000 0.269 518 L C 0.552 177.473 176.870 0.086 0.000 1.005 518 L CA -0.668 54.239 54.840 0.111 0.000 0.819 518 L CB 2.256 44.396 42.059 0.135 0.000 1.311 518 L HN 0.590 nan 8.230 nan 0.000 0.423 519 S N 0.907 116.635 115.700 0.046 0.000 2.610 519 S HA 0.356 4.811 4.470 -0.025 0.000 0.273 519 S C 0.707 175.261 174.600 -0.076 0.000 1.274 519 S CA -0.648 57.547 58.200 -0.009 0.000 1.023 519 S CB 1.920 65.119 63.200 -0.003 0.000 0.962 519 S HN 0.764 nan 8.310 nan 0.000 0.523 520 R N 0.799 121.171 120.500 -0.213 0.000 2.093 520 R HA -0.009 4.316 4.340 -0.025 0.000 0.224 520 R C 0.861 177.077 176.300 -0.141 0.000 1.101 520 R CA 0.761 56.652 56.100 -0.349 0.000 0.979 520 R CB -0.086 29.851 30.300 -0.605 0.000 0.877 520 R HN 0.887 nan 8.270 nan 0.000 0.441 521 Q N 1.060 120.815 119.800 -0.074 0.000 2.205 521 Q HA 0.148 4.474 4.340 -0.025 0.000 0.249 521 Q C -1.117 174.878 176.000 -0.008 0.000 0.948 521 Q CA -0.646 55.146 55.803 -0.019 0.000 0.895 521 Q CB 0.674 29.430 28.738 0.030 0.000 1.249 521 Q HN -0.034 nan 8.270 nan 0.000 0.458 522 N N 1.279 119.977 118.700 -0.003 0.000 2.492 522 N HA 0.249 4.974 4.740 -0.025 0.000 0.262 522 N C -0.570 174.929 175.510 -0.017 0.000 1.202 522 N CA 0.146 53.193 53.050 -0.005 0.000 0.926 522 N CB 0.409 38.894 38.487 -0.003 0.000 1.078 522 N HN 0.459 nan 8.380 nan 0.000 0.454 523 L N 1.112 122.325 121.223 -0.017 0.000 2.341 523 L HA 0.553 4.878 4.340 -0.025 0.000 0.278 523 L C 0.454 177.308 176.870 -0.027 0.000 1.005 523 L CA -1.266 53.556 54.840 -0.029 0.000 0.818 523 L CB 1.602 43.650 42.059 -0.019 0.000 1.259 523 L HN 0.426 nan 8.230 nan 0.000 0.418 524 A N 2.794 125.590 122.820 -0.039 0.000 2.477 524 A HA 0.164 4.469 4.320 -0.025 0.000 0.246 524 A C 0.004 177.572 177.584 -0.026 0.000 1.078 524 A CA 0.009 52.025 52.037 -0.034 0.000 0.770 524 A CB 0.340 19.313 19.000 -0.045 0.000 1.011 524 A HN 0.796 nan 8.150 nan 0.000 0.494 525 Q N 1.384 121.172 119.800 -0.021 0.000 2.314 525 Q HA 0.224 4.549 4.340 -0.025 0.000 0.258 525 Q C -0.460 175.531 176.000 -0.014 0.000 0.954 525 Q CA -0.297 55.497 55.803 -0.015 0.000 0.890 525 Q CB 0.516 29.243 28.738 -0.019 0.000 1.210 525 Q HN 0.736 nan 8.270 nan 0.000 0.410 526 Q N 2.212 122.010 119.800 -0.004 0.000 2.214 526 Q HA 0.183 4.508 4.340 -0.025 0.000 0.251 526 Q C -0.916 175.088 176.000 0.007 0.000 0.936 526 Q CA -0.304 55.498 55.803 -0.002 0.000 0.894 526 Q CB 1.497 30.239 28.738 0.007 0.000 1.252 526 Q HN 0.706 nan 8.270 nan 0.000 0.448 527 E N 1.703 121.906 120.200 0.004 0.000 2.360 527 E HA 0.184 4.519 4.350 -0.025 0.000 0.269 527 E C -0.795 175.820 176.600 0.025 0.000 1.022 527 E CA 0.016 56.422 56.400 0.009 0.000 0.887 527 E CB 0.626 30.329 29.700 0.006 0.000 0.990 527 E HN 0.298 nan 8.360 nan 0.000 0.426 528 R N 2.036 122.549 120.500 0.022 0.000 2.564 528 R HA 0.204 4.529 4.340 -0.025 0.000 0.284 528 R C -0.501 175.808 176.300 0.016 0.000 1.031 528 R CA -0.648 55.471 56.100 0.031 0.000 0.904 528 R CB 1.908 32.221 30.300 0.023 0.000 1.199 528 R HN 0.716 nan 8.270 nan 0.000 0.443 529 T N -1.116 113.452 114.554 0.023 0.000 2.726 529 T HA 0.064 4.399 4.350 -0.025 0.000 0.294 529 T C 1.174 175.876 174.700 0.003 0.000 1.013 529 T CA -0.612 61.498 62.100 0.016 0.000 0.996 529 T CB 0.750 69.633 68.868 0.027 0.000 1.016 529 T HN 0.418 nan 8.240 nan 0.000 0.529 530 E N 0.258 120.459 120.200 0.001 0.000 2.085 530 E HA -0.172 4.163 4.350 -0.025 0.000 0.194 530 E C 1.981 178.576 176.600 -0.009 0.000 0.994 530 E CA 1.567 57.963 56.400 -0.007 0.000 0.801 530 E CB -0.388 29.311 29.700 -0.003 0.000 0.743 530 E HN 0.931 nan 8.360 nan 0.000 0.453 531 E N 0.678 120.882 120.200 0.007 0.000 2.051 531 E HA -0.215 4.120 4.350 -0.025 0.000 0.192 531 E C 2.055 178.655 176.600 -0.002 0.000 0.991 531 E CA 1.103 57.512 56.400 0.016 0.000 0.799 531 E CB 0.072 29.797 29.700 0.042 0.000 0.748 531 E HN 0.278 nan 8.360 nan 0.000 0.449 532 Q N 0.085 119.887 119.800 0.003 0.000 2.084 532 Q HA -0.170 4.155 4.340 -0.025 0.000 0.202 532 Q C 2.339 178.212 176.000 -0.210 0.000 0.978 532 Q CA 1.125 56.903 55.803 -0.042 0.000 0.844 532 Q CB -0.129 28.652 28.738 0.072 0.000 0.898 532 Q HN 0.263 nan 8.270 nan 0.000 0.426 533 L N 0.747 121.900 121.223 -0.117 0.000 2.012 533 L HA -0.173 4.152 4.340 -0.025 0.000 0.210 533 L C 2.145 178.935 176.870 -0.134 0.000 1.073 533 L CA 2.208 56.974 54.840 -0.124 0.000 0.748 533 L CB -0.777 41.244 42.059 -0.064 0.000 0.891 533 L HN 0.140 nan 8.230 nan 0.000 0.431 534 A N -0.886 121.879 122.820 -0.091 0.000 2.015 534 A HA -0.162 4.143 4.320 -0.025 0.000 0.219 534 A C 1.948 179.480 177.584 -0.086 0.000 1.163 534 A CA 1.593 53.591 52.037 -0.064 0.000 0.646 534 A CB -0.687 18.293 19.000 -0.033 0.000 0.806 534 A HN 0.601 nan 8.150 nan 0.000 0.448 535 N N 0.004 118.614 118.700 -0.149 0.000 2.494 535 N HA 0.026 4.751 4.740 -0.025 0.000 0.182 535 N C 1.397 176.758 175.510 -0.248 0.000 1.076 535 N CA 0.621 53.588 53.050 -0.139 0.000 0.908 535 N CB -0.367 38.112 38.487 -0.014 0.000 0.967 535 N HN 0.586 nan 8.380 nan 0.000 0.449 536 I N 0.892 121.197 120.570 -0.442 0.000 2.194 536 I HA -0.278 3.877 4.170 -0.025 0.000 0.246 536 I C 2.087 178.316 176.117 0.186 0.000 1.093 536 I CA 1.196 62.354 61.300 -0.236 0.000 1.355 536 I CB -0.306 37.618 38.000 -0.126 0.000 1.046 536 I HN 0.064 nan 8.210 nan 0.000 0.413 537 A N 0.609 123.521 122.820 0.153 0.000 2.172 537 A HA -0.106 4.199 4.320 -0.025 0.000 0.216 537 A C 2.143 179.935 177.584 0.347 0.000 1.154 537 A CA 0.928 53.150 52.037 0.309 0.000 0.701 537 A CB -0.533 18.595 19.000 0.213 0.000 0.789 537 A HN 0.387 nan 8.150 nan 0.000 0.465 538 R N -1.227 119.396 120.500 0.205 0.000 2.313 538 R HA 0.183 4.509 4.340 -0.025 0.000 0.199 538 R C 1.554 178.020 176.300 0.277 0.000 0.958 538 R CA 0.537 56.728 56.100 0.151 0.000 1.047 538 R CB -0.129 30.108 30.300 -0.105 0.000 0.955 538 R HN 0.623 nan 8.270 nan 0.000 0.481 539 G N 0.356 109.306 108.800 0.251 0.000 2.417 539 G HA2 -0.272 3.673 3.960 -0.025 0.000 0.233 539 G HA3 -0.272 3.673 3.960 -0.025 0.000 0.233 539 G C 0.327 175.302 174.900 0.125 0.000 1.103 539 G CA -0.071 45.039 45.100 0.017 0.000 0.647 539 G HN 0.622 nan 8.290 nan 0.000 0.512 540 G N -0.584 108.435 108.800 0.366 0.000 2.701 540 G HA2 0.867 4.813 3.960 -0.025 0.000 0.300 540 G HA3 0.867 4.813 3.960 -0.025 0.000 0.300 540 G C -0.984 174.157 174.900 0.402 0.000 1.410 540 G CA 0.159 45.307 45.100 0.080 0.000 1.014 540 G HN 1.677 nan 8.290 nan 0.000 0.509 541 Y N -0.731 119.604 120.300 0.058 0.000 2.624 541 Y HA 0.665 5.200 4.550 -0.026 0.000 0.334 541 Y C -0.989 174.918 175.900 0.012 0.000 1.155 541 Y CA -1.701 56.479 58.100 0.134 0.000 1.046 541 Y CB 0.962 39.544 38.460 0.203 0.000 1.316 541 Y HN 0.442 nan 8.280 nan 0.000 0.457 542 V N 3.801 123.766 119.914 0.084 0.000 2.439 542 V HA 0.055 4.160 4.120 -0.025 0.000 0.271 542 V C 0.530 176.623 176.094 -0.003 0.000 1.040 542 V CA 0.094 62.372 62.300 -0.036 0.000 1.002 542 V CB 0.625 32.457 31.823 0.015 0.000 1.000 542 V HN 0.897 nan 8.190 nan 0.000 0.477 543 L N 4.859 125.971 121.223 -0.185 0.000 2.316 543 L HA 0.401 4.726 4.340 -0.025 0.000 0.207 543 L C 0.764 177.540 176.870 -0.157 0.000 1.070 543 L CA 1.491 56.252 54.840 -0.132 0.000 0.820 543 L CB 0.063 41.962 42.059 -0.268 0.000 0.992 543 L HN 0.431 nan 8.230 nan 0.000 0.466 544 K N 0.133 120.363 120.400 -0.282 0.000 2.426 544 K HA 0.488 4.793 4.320 -0.025 0.000 0.251 544 K C -1.414 175.029 176.600 -0.262 0.000 0.941 544 K CA -0.567 55.463 56.287 -0.428 0.000 0.808 544 K CB 2.218 34.031 32.500 -1.147 0.000 1.265 544 K HN -0.132 nan 8.250 nan 0.000 0.432 545 D N -0.165 120.198 120.400 -0.062 0.000 2.664 545 D HA 0.553 5.178 4.640 -0.025 0.000 0.292 545 D C -1.033 175.384 176.300 0.195 0.000 1.214 545 D CA -0.238 53.807 54.000 0.075 0.000 0.932 545 D CB 1.572 42.396 40.800 0.040 0.000 1.420 545 D HN 0.657 nan 8.370 nan 0.000 0.471 546 C N -0.505 118.878 119.300 0.138 0.000 3.044 546 C HA 0.995 5.440 4.460 -0.025 0.000 0.315 546 C C -0.020 175.010 174.990 0.066 0.000 1.320 546 C CA -0.970 58.114 59.018 0.110 0.000 1.582 546 C CB 0.533 28.330 27.740 0.095 0.000 2.039 546 C HN 0.647 nan 8.230 nan 0.000 0.466 547 A N 1.312 124.161 122.820 0.049 0.000 2.409 547 A HA 0.708 5.013 4.320 -0.025 0.000 0.262 547 A C 0.976 178.576 177.584 0.027 0.000 1.113 547 A CA 1.050 53.107 52.037 0.035 0.000 0.790 547 A CB -0.809 18.208 19.000 0.028 0.000 1.046 547 A HN 3.083 nan 8.150 nan 0.000 0.496 548 G N 0.832 109.646 108.800 0.024 0.000 2.741 548 G HA2 -0.129 3.817 3.960 -0.025 0.000 0.222 548 G HA3 -0.129 3.817 3.960 -0.025 0.000 0.222 548 G C -0.014 174.898 174.900 0.019 0.000 1.364 548 G CA 0.060 45.172 45.100 0.019 0.000 0.866 548 G HN 1.262 nan 8.290 nan 0.000 0.555 549 Q N 0.652 120.461 119.800 0.014 0.000 2.289 549 Q HA 0.386 4.711 4.340 -0.025 0.000 0.273 549 Q C -1.849 174.157 176.000 0.011 0.000 1.029 549 Q CA -1.084 54.726 55.803 0.012 0.000 0.896 549 Q CB 0.388 29.132 28.738 0.010 0.000 1.182 549 Q HN 0.381 nan 8.270 nan 0.000 0.385 550 P HA -0.016 nan 4.420 nan 0.000 0.268 550 P C -0.609 176.681 177.300 -0.017 0.000 1.205 550 P CA 0.245 63.347 63.100 0.003 0.000 0.771 550 P CB 0.646 32.346 31.700 0.001 0.000 0.858 551 E N 0.723 120.909 120.200 -0.024 0.000 2.285 551 E HA 0.053 4.388 4.350 -0.025 0.000 0.194 551 E C 0.191 176.721 176.600 -0.116 0.000 0.997 551 E CA 0.532 56.907 56.400 -0.042 0.000 0.845 551 E CB 0.082 29.774 29.700 -0.014 0.000 0.782 551 E HN 0.172 nan 8.360 nan 0.000 0.491 552 L N 0.659 121.802 121.223 -0.133 0.000 2.526 552 L HA 0.403 4.728 4.340 -0.025 0.000 0.263 552 L C -1.814 174.911 176.870 -0.243 0.000 0.943 552 L CA -0.359 54.330 54.840 -0.251 0.000 0.859 552 L CB 1.851 43.726 42.059 -0.308 0.000 1.313 552 L HN -0.151 nan 8.230 nan 0.000 0.406 553 I N 4.854 125.250 120.570 -0.291 0.000 2.418 553 I HA 0.378 4.533 4.170 -0.025 0.000 0.287 553 I C -0.969 174.950 176.117 -0.330 0.000 1.008 553 I CA -0.415 60.754 61.300 -0.217 0.000 1.104 553 I CB 1.422 39.349 38.000 -0.122 0.000 1.264 553 I HN 0.413 nan 8.210 nan 0.000 0.438 554 F N 6.497 126.394 119.950 -0.088 0.000 2.396 554 F HA 0.465 4.977 4.527 -0.025 0.000 0.343 554 F C 0.347 176.030 175.800 -0.195 0.000 1.104 554 F CA -0.314 57.606 58.000 -0.133 0.000 1.161 554 F CB 0.833 39.766 39.000 -0.110 0.000 1.146 554 F HN 0.177 nan 8.300 nan 0.000 0.522 555 I N 3.376 123.902 120.570 -0.073 0.000 2.382 555 I HA 0.668 4.823 4.170 -0.025 0.000 0.286 555 I C -0.366 175.546 176.117 -0.341 0.000 1.002 555 I CA -0.499 60.663 61.300 -0.231 0.000 1.135 555 I CB 1.302 39.147 38.000 -0.258 0.000 1.288 555 I HN 0.681 nan 8.210 nan 0.000 0.448 556 A N 4.106 126.745 122.820 -0.303 0.000 2.515 556 A HA 0.959 5.264 4.320 -0.025 0.000 0.296 556 A C -0.437 177.011 177.584 -0.226 0.000 1.094 556 A CA -0.555 51.306 52.037 -0.293 0.000 0.718 556 A CB 2.078 20.949 19.000 -0.214 0.000 1.307 556 A HN 0.649 nan 8.150 nan 0.000 0.408 557 T N -1.860 112.595 114.554 -0.165 0.000 2.896 557 T HA 0.740 5.075 4.350 -0.025 0.000 0.297 557 T C 0.785 175.451 174.700 -0.057 0.000 1.108 557 T CA 0.516 62.575 62.100 -0.068 0.000 1.004 557 T CB 1.029 69.919 68.868 0.037 0.000 1.159 557 T HN 2.664 nan 8.240 nan 0.000 0.499 558 G N 2.198 110.988 108.800 -0.018 0.000 2.614 558 G HA2 -0.363 3.582 3.960 -0.025 0.000 0.303 558 G HA3 -0.363 3.582 3.960 -0.025 0.000 0.303 558 G C 1.296 176.163 174.900 -0.055 0.000 1.270 558 G CA 1.756 46.848 45.100 -0.012 0.000 0.988 558 G HN 2.141 nan 8.290 nan 0.000 0.551 559 S N -0.174 115.483 115.700 -0.071 0.000 2.465 559 S HA -0.025 4.430 4.470 -0.025 0.000 0.241 559 S C 1.672 176.155 174.600 -0.196 0.000 1.000 559 S CA 2.197 60.322 58.200 -0.126 0.000 0.964 559 S CB -0.027 63.099 63.200 -0.124 0.000 0.763 559 S HN 0.630 nan 8.310 nan 0.000 0.512 560 E N 0.760 120.853 120.200 -0.179 0.000 2.474 560 E HA 0.220 4.555 4.350 -0.025 0.000 0.194 560 E C 1.741 178.240 176.600 -0.168 0.000 1.041 560 E CA 0.053 56.340 56.400 -0.188 0.000 0.874 560 E CB -0.226 29.382 29.700 -0.155 0.000 0.914 560 E HN 0.381 nan 8.360 nan 0.000 0.498 561 V N 0.969 120.792 119.914 -0.152 0.000 2.343 561 V HA -0.294 3.812 4.120 -0.025 0.000 0.247 561 V C 2.330 178.328 176.094 -0.160 0.000 1.051 561 V CA 2.121 64.327 62.300 -0.156 0.000 1.036 561 V CB -0.341 31.405 31.823 -0.128 0.000 0.654 561 V HN 0.361 nan 8.190 nan 0.000 0.451 562 E N -0.031 120.083 120.200 -0.143 0.000 2.058 562 E HA -0.292 4.043 4.350 -0.025 0.000 0.194 562 E C 2.182 178.691 176.600 -0.151 0.000 0.997 562 E CA 1.811 58.131 56.400 -0.133 0.000 0.801 562 E CB -0.174 29.451 29.700 -0.125 0.000 0.746 562 E HN 0.451 nan 8.360 nan 0.000 0.450 563 L N 0.834 121.954 121.223 -0.172 0.000 2.017 563 L HA -0.084 4.241 4.340 -0.025 0.000 0.208 563 L C 2.273 179.000 176.870 -0.239 0.000 1.073 563 L CA 2.312 57.048 54.840 -0.173 0.000 0.745 563 L CB -0.857 41.117 42.059 -0.142 0.000 0.894 563 L HN 0.180 nan 8.230 nan 0.000 0.432 564 A N -1.130 121.521 122.820 -0.282 0.000 1.933 564 A HA -0.131 4.175 4.320 -0.025 0.000 0.218 564 A C 2.267 179.578 177.584 -0.454 0.000 1.175 564 A CA 1.912 53.663 52.037 -0.475 0.000 0.628 564 A CB -1.093 17.694 19.000 -0.355 0.000 0.814 564 A HN 0.323 nan 8.150 nan 0.000 0.444 565 V N -0.142 119.618 119.914 -0.257 0.000 2.343 565 V HA -0.253 3.852 4.120 -0.025 0.000 0.247 565 V C 3.059 179.119 176.094 -0.057 0.000 1.051 565 V CA 1.913 64.126 62.300 -0.146 0.000 1.036 565 V CB -1.218 30.529 31.823 -0.127 0.000 0.654 565 V HN 0.618 nan 8.190 nan 0.000 0.451 566 A N -0.027 122.726 122.820 -0.111 0.000 1.908 566 A HA -0.144 4.161 4.320 -0.025 0.000 0.218 566 A C 2.414 179.934 177.584 -0.107 0.000 1.181 566 A CA 2.194 54.181 52.037 -0.084 0.000 0.627 566 A CB -0.752 18.192 19.000 -0.093 0.000 0.818 566 A HN 0.576 nan 8.150 nan 0.000 0.445 567 A N -1.370 121.318 122.820 -0.220 0.000 1.898 567 A HA -0.078 4.227 4.320 -0.025 0.000 0.216 567 A C 2.125 179.617 177.584 -0.154 0.000 1.181 567 A CA 1.594 53.481 52.037 -0.249 0.000 0.620 567 A CB -0.881 17.828 19.000 -0.486 0.000 0.819 567 A HN 0.824 nan 8.150 nan 0.000 0.442 568 Y N 0.971 121.072 120.300 -0.332 0.000 2.151 568 Y HA -0.245 4.290 4.550 -0.024 0.000 0.284 568 Y C 2.223 178.113 175.900 -0.017 0.000 1.166 568 Y CA 2.287 60.355 58.100 -0.054 0.000 1.163 568 Y CB -0.087 38.336 38.460 -0.061 0.000 0.974 568 Y HN 0.329 nan 8.280 nan 0.000 0.511 569 E N 0.494 120.671 120.200 -0.039 0.000 2.072 569 E HA -0.195 4.140 4.350 -0.025 0.000 0.191 569 E C 2.091 178.605 176.600 -0.144 0.000 0.985 569 E CA 1.311 57.637 56.400 -0.124 0.000 0.801 569 E CB -0.310 29.399 29.700 0.014 0.000 0.750 569 E HN 0.330 nan 8.360 nan 0.000 0.452 570 K N 1.095 121.441 120.400 -0.090 0.000 2.002 570 K HA -0.072 4.233 4.320 -0.025 0.000 0.209 570 K C 2.246 178.804 176.600 -0.070 0.000 1.048 570 K CA 0.914 57.163 56.287 -0.065 0.000 0.930 570 K CB -0.491 31.984 32.500 -0.041 0.000 0.714 570 K HN 0.036 nan 8.250 nan 0.000 0.438 571 L N -0.073 121.112 121.223 -0.064 0.000 2.083 571 L HA -0.176 4.149 4.340 -0.025 0.000 0.209 571 L C 2.232 179.036 176.870 -0.111 0.000 1.083 571 L CA 1.643 56.457 54.840 -0.043 0.000 0.752 571 L CB -0.643 41.442 42.059 0.044 0.000 0.899 571 L HN 0.243 nan 8.230 nan 0.000 0.433 572 T N -0.124 114.285 114.554 -0.241 0.000 2.720 572 T HA -0.203 4.132 4.350 -0.025 0.000 0.268 572 T C 1.961 176.570 174.700 -0.153 0.000 1.037 572 T CA 1.393 63.327 62.100 -0.276 0.000 1.144 572 T CB -0.273 68.274 68.868 -0.536 0.000 0.864 572 T HN 0.454 nan 8.240 nan 0.000 0.444 573 A N 1.303 124.046 122.820 -0.127 0.000 2.070 573 A HA -0.087 4.218 4.320 -0.025 0.000 0.220 573 A C 1.939 179.492 177.584 -0.052 0.000 1.159 573 A CA 1.214 53.207 52.037 -0.075 0.000 0.656 573 A CB -0.376 18.588 19.000 -0.060 0.000 0.800 573 A HN 0.587 nan 8.150 nan 0.000 0.453 574 E N -1.657 118.513 120.200 -0.050 0.000 2.465 574 E HA 0.295 4.630 4.350 -0.025 0.000 0.191 574 E C 1.027 177.611 176.600 -0.026 0.000 1.053 574 E CA 0.231 56.614 56.400 -0.029 0.000 0.869 574 E CB 0.028 29.718 29.700 -0.017 0.000 0.977 574 E HN 0.702 nan 8.360 nan 0.000 0.483 575 G N 1.047 109.823 108.800 -0.039 0.000 2.175 575 G HA2 -0.263 3.682 3.960 -0.025 0.000 0.244 575 G HA3 -0.263 3.682 3.960 -0.025 0.000 0.244 575 G C 0.383 175.266 174.900 -0.028 0.000 0.982 575 G CA 0.047 45.127 45.100 -0.032 0.000 0.641 575 G HN 0.159 nan 8.290 nan 0.000 0.527 576 V N 1.835 121.729 119.914 -0.033 0.000 2.614 576 V HA 0.310 4.415 4.120 -0.025 0.000 0.291 576 V C 0.688 176.762 176.094 -0.035 0.000 1.049 576 V CA -0.275 62.012 62.300 -0.021 0.000 1.038 576 V CB 1.459 33.276 31.823 -0.010 0.000 0.980 576 V HN 0.192 nan 8.190 nan 0.000 0.481 577 K N 4.530 124.922 120.400 -0.013 0.000 2.250 577 K HA 0.598 4.903 4.320 -0.025 0.000 0.285 577 K C -0.049 176.562 176.600 0.019 0.000 1.097 577 K CA 0.203 56.491 56.287 0.002 0.000 0.913 577 K CB 1.079 33.584 32.500 0.007 0.000 1.179 577 K HN 0.799 nan 8.250 nan 0.000 0.462 578 A N 3.357 126.215 122.820 0.062 0.000 2.386 578 A HA 0.770 5.075 4.320 -0.025 0.000 0.308 578 A C -0.625 177.155 177.584 0.326 0.000 1.128 578 A CA -0.809 51.322 52.037 0.157 0.000 0.789 578 A CB 1.663 20.792 19.000 0.215 0.000 1.325 578 A HN 0.675 nan 8.150 nan 0.000 0.437 579 R N 0.450 121.105 120.500 0.259 0.000 2.725 579 R HA 0.666 4.991 4.340 -0.025 0.000 0.277 579 R C -2.211 174.155 176.300 0.110 0.000 0.987 579 R CA -0.416 55.770 56.100 0.143 0.000 0.901 579 R CB 2.066 32.388 30.300 0.036 0.000 1.207 579 R HN 0.513 nan 8.270 nan 0.000 0.463 580 V N 3.953 123.809 119.914 -0.098 0.000 2.448 580 V HA 0.396 4.502 4.120 -0.025 0.000 0.295 580 V C -0.455 175.517 176.094 -0.203 0.000 1.025 580 V CA -0.804 61.425 62.300 -0.118 0.000 0.859 580 V CB 1.730 33.395 31.823 -0.263 0.000 0.988 580 V HN 0.507 nan 8.190 nan 0.000 0.431 581 V N 3.778 123.569 119.914 -0.204 0.000 2.370 581 V HA 0.381 4.486 4.120 -0.025 0.000 0.283 581 V C 0.452 176.316 176.094 -0.383 0.000 1.023 581 V CA -0.156 61.956 62.300 -0.313 0.000 0.857 581 V CB 1.822 33.473 31.823 -0.287 0.000 0.985 581 V HN 0.892 nan 8.190 nan 0.000 0.443 582 S N 5.200 120.553 115.700 -0.578 0.000 2.489 582 S HA 0.528 4.984 4.470 -0.025 0.000 0.277 582 S C -0.185 174.163 174.600 -0.419 0.000 1.230 582 S CA -0.541 57.353 58.200 -0.509 0.000 1.053 582 S CB 0.396 63.228 63.200 -0.613 0.000 0.955 582 S HN 0.680 nan 8.310 nan 0.000 0.488 583 M N 8.971 128.419 119.600 -0.254 0.000 2.854 583 M HA 0.424 4.890 4.480 -0.025 0.000 0.203 583 M C -2.020 174.216 176.300 -0.108 0.000 1.069 583 M CA -2.092 53.079 55.300 -0.214 0.000 0.803 583 M CB 1.346 33.799 32.600 -0.245 0.000 1.380 583 M HN 0.366 nan 8.290 nan 0.000 0.494 584 P HA -0.031 nan 4.420 nan 0.000 0.218 584 P C -0.012 177.101 177.300 -0.312 0.000 1.149 584 P CA 0.786 63.874 63.100 -0.019 0.000 0.817 584 P CB 0.323 32.162 31.700 0.233 0.000 0.785 585 S N -0.927 114.420 115.700 -0.588 0.000 2.779 585 S HA 0.317 4.772 4.470 -0.025 0.000 0.293 585 S C 1.051 175.407 174.600 -0.407 0.000 1.150 585 S CA -0.291 57.395 58.200 -0.858 0.000 1.057 585 S CB 0.483 62.430 63.200 -2.090 0.000 1.021 585 S HN 0.105 nan 8.310 nan 0.000 0.485 586 T N 1.201 115.627 114.554 -0.213 0.000 2.788 586 T HA -0.163 4.172 4.350 -0.025 0.000 0.268 586 T C 1.450 176.212 174.700 0.103 0.000 1.044 586 T CA 1.674 63.792 62.100 0.030 0.000 1.139 586 T CB -0.597 68.364 68.868 0.154 0.000 0.867 586 T HN 0.785 nan 8.240 nan 0.000 0.454 587 D N 2.340 122.722 120.400 -0.030 0.000 2.117 587 D HA -0.053 4.572 4.640 -0.025 0.000 0.198 587 D C 2.352 178.674 176.300 0.037 0.000 0.982 587 D CA 1.214 55.229 54.000 0.025 0.000 0.828 587 D CB -0.492 40.315 40.800 0.011 0.000 0.967 587 D HN 0.590 nan 8.370 nan 0.000 0.464 588 A N 0.719 123.493 122.820 -0.077 0.000 1.898 588 A HA -0.086 4.219 4.320 -0.025 0.000 0.216 588 A C 2.072 179.723 177.584 0.111 0.000 1.181 588 A CA 1.011 53.059 52.037 0.018 0.000 0.620 588 A CB -1.172 17.755 19.000 -0.123 0.000 0.819 588 A HN 0.262 nan 8.150 nan 0.000 0.442 589 F N 1.501 121.437 119.950 -0.023 0.000 2.095 589 F HA -0.206 4.305 4.527 -0.026 0.000 0.298 589 F C 1.638 177.521 175.800 0.139 0.000 1.104 589 F CA 2.171 60.223 58.000 0.087 0.000 1.232 589 F CB -0.250 38.774 39.000 0.040 0.000 0.987 589 F HN 0.243 nan 8.300 nan 0.000 0.475 590 D N 0.257 120.739 120.400 0.136 0.000 2.218 590 D HA -0.153 4.472 4.640 -0.025 0.000 0.204 590 D C 2.001 178.291 176.300 -0.018 0.000 0.976 590 D CA 1.199 55.228 54.000 0.048 0.000 0.853 590 D CB -0.299 40.590 40.800 0.148 0.000 0.939 590 D HN 0.379 nan 8.370 nan 0.000 0.481 591 K N 0.146 120.558 120.400 0.020 0.000 2.432 591 K HA 0.006 4.311 4.320 -0.025 0.000 0.196 591 K C 0.650 177.252 176.600 0.003 0.000 1.038 591 K CA 0.142 56.448 56.287 0.032 0.000 0.986 591 K CB 0.289 32.840 32.500 0.085 0.000 0.782 591 K HN 0.136 nan 8.250 nan 0.000 0.485 592 Q N 1.801 121.573 119.800 -0.045 0.000 2.417 592 Q HA -0.011 4.314 4.340 -0.025 0.000 0.241 592 Q C -0.097 175.885 176.000 -0.029 0.000 1.008 592 Q CA 0.052 55.832 55.803 -0.038 0.000 0.901 592 Q CB 0.447 29.181 28.738 -0.008 0.000 1.259 592 Q HN 0.249 nan 8.270 nan 0.000 0.489 593 D N -0.732 119.679 120.400 0.018 0.000 2.371 593 D HA 0.109 4.734 4.640 -0.025 0.000 0.242 593 D C 0.637 176.952 176.300 0.026 0.000 1.218 593 D CA 0.171 54.184 54.000 0.023 0.000 0.945 593 D CB 0.507 41.327 40.800 0.034 0.000 1.137 593 D HN 0.437 nan 8.370 nan 0.000 0.464 594 A N 1.079 123.908 122.820 0.016 0.000 1.940 594 A HA -0.009 4.296 4.320 -0.025 0.000 0.219 594 A C 2.219 179.819 177.584 0.026 0.000 1.176 594 A CA 2.594 54.636 52.037 0.009 0.000 0.631 594 A CB -1.218 17.790 19.000 0.013 0.000 0.814 594 A HN 0.753 nan 8.150 nan 0.000 0.446 595 A N -1.588 121.262 122.820 0.050 0.000 1.902 595 A HA -0.106 4.199 4.320 -0.025 0.000 0.217 595 A C 2.155 179.789 177.584 0.083 0.000 1.181 595 A CA 1.684 53.758 52.037 0.062 0.000 0.623 595 A CB -0.771 18.271 19.000 0.070 0.000 0.818 595 A HN 0.737 nan 8.150 nan 0.000 0.443 596 Y N 0.502 120.806 120.300 0.007 0.000 2.200 596 Y HA -0.150 4.386 4.550 -0.024 0.000 0.290 596 Y C 2.492 178.417 175.900 0.042 0.000 1.137 596 Y CA 1.888 60.005 58.100 0.028 0.000 1.163 596 Y CB -0.280 38.190 38.460 0.017 0.000 0.988 596 Y HN 0.241 nan 8.280 nan 0.000 0.518 597 R N -0.121 120.322 120.500 -0.095 0.000 2.081 597 R HA -0.209 4.116 4.340 -0.025 0.000 0.235 597 R C 2.153 178.457 176.300 0.007 0.000 1.131 597 R CA 1.621 57.631 56.100 -0.149 0.000 0.960 597 R CB -0.371 29.774 30.300 -0.259 0.000 0.856 597 R HN 0.327 nan 8.270 nan 0.000 0.436 598 E N 1.023 121.219 120.200 -0.007 0.000 2.110 598 E HA -0.171 4.164 4.350 -0.025 0.000 0.193 598 E C 1.840 178.430 176.600 -0.017 0.000 0.988 598 E CA 1.953 58.361 56.400 0.013 0.000 0.804 598 E CB -0.110 29.601 29.700 0.017 0.000 0.745 598 E HN 0.276 nan 8.360 nan 0.000 0.458 599 S N -0.963 114.694 115.700 -0.073 0.000 2.399 599 S HA -0.107 4.348 4.470 -0.025 0.000 0.231 599 S C 1.979 176.514 174.600 -0.109 0.000 1.022 599 S CA 1.256 59.404 58.200 -0.087 0.000 0.983 599 S CB -0.371 62.773 63.200 -0.094 0.000 0.803 599 S HN 0.142 nan 8.310 nan 0.000 0.480 600 V N 0.837 120.660 119.914 -0.152 0.000 2.426 600 V HA 0.320 4.426 4.120 -0.025 0.000 0.242 600 V C 1.061 177.140 176.094 -0.026 0.000 1.036 600 V CA 0.832 63.074 62.300 -0.097 0.000 1.044 600 V CB -0.441 31.340 31.823 -0.070 0.000 0.688 600 V HN 0.451 nan 8.190 nan 0.000 0.462 601 L N 3.084 124.341 121.223 0.057 0.000 2.502 601 L HA 0.371 4.697 4.340 -0.025 0.000 0.247 601 L C -2.535 174.375 176.870 0.067 0.000 1.180 601 L CA -1.524 53.357 54.840 0.068 0.000 0.956 601 L CB 1.162 43.310 42.059 0.148 0.000 1.282 601 L HN 0.175 nan 8.230 nan 0.000 0.470 602 P HA -0.002 nan 4.420 nan 0.000 0.264 602 P C 0.445 177.768 177.300 0.039 0.000 1.193 602 P CA -0.161 62.957 63.100 0.030 0.000 0.763 602 P CB 0.744 32.453 31.700 0.016 0.000 0.810 603 K N 2.671 123.096 120.400 0.041 0.000 2.209 603 K HA -0.137 4.168 4.320 -0.025 0.000 0.204 603 K C 1.634 178.257 176.600 0.037 0.000 1.048 603 K CA 1.478 57.791 56.287 0.043 0.000 0.940 603 K CB -0.792 31.732 32.500 0.039 0.000 0.729 603 K HN 0.308 nan 8.250 nan 0.000 0.451 604 A N 1.627 124.465 122.820 0.030 0.000 2.067 604 A HA 0.037 4.342 4.320 -0.025 0.000 0.219 604 A C 1.001 178.604 177.584 0.032 0.000 1.158 604 A CA 0.666 52.720 52.037 0.028 0.000 0.661 604 A CB -0.129 18.884 19.000 0.022 0.000 0.801 604 A HN 0.133 nan 8.150 nan 0.000 0.452 605 V N 1.429 121.359 119.914 0.026 0.000 2.334 605 V HA 0.214 4.319 4.120 -0.025 0.000 0.267 605 V C 1.345 177.454 176.094 0.026 0.000 1.040 605 V CA 0.493 62.802 62.300 0.015 0.000 0.866 605 V CB 0.603 32.420 31.823 -0.009 0.000 1.019 605 V HN 0.605 nan 8.190 nan 0.000 0.468 606 T N 1.091 115.679 114.554 0.056 0.000 3.014 606 T HA 0.212 4.547 4.350 -0.025 0.000 0.250 606 T C 0.973 175.726 174.700 0.089 0.000 1.060 606 T CA 0.561 62.726 62.100 0.109 0.000 1.040 606 T CB 0.318 69.296 68.868 0.183 0.000 0.971 606 T HN 0.651 nan 8.240 nan 0.000 0.497 607 A N 2.261 125.026 122.820 -0.091 0.000 2.805 607 A HA 0.562 4.867 4.320 -0.025 0.000 0.301 607 A C 0.158 177.596 177.584 -0.243 0.000 1.557 607 A CA -0.665 51.161 52.037 -0.350 0.000 1.254 607 A CB -0.440 18.164 19.000 -0.659 0.000 1.114 607 A HN 0.496 nan 8.150 nan 0.000 0.553 608 R N 0.987 121.395 120.500 -0.155 0.000 2.494 608 R HA 0.579 4.904 4.340 -0.025 0.000 0.305 608 R C -1.382 174.817 176.300 -0.168 0.000 0.959 608 R CA -0.625 55.384 56.100 -0.152 0.000 0.864 608 R CB 2.404 32.674 30.300 -0.050 0.000 1.159 608 R HN 0.307 nan 8.270 nan 0.000 0.446 609 V N 2.453 122.226 119.914 -0.234 0.000 2.376 609 V HA 0.458 4.563 4.120 -0.025 0.000 0.287 609 V C -0.058 175.963 176.094 -0.121 0.000 1.015 609 V CA -0.879 61.317 62.300 -0.174 0.000 0.834 609 V CB 1.495 33.190 31.823 -0.213 0.000 1.001 609 V HN 0.922 nan 8.190 nan 0.000 0.428 610 A N 4.921 127.634 122.820 -0.179 0.000 2.331 610 A HA 0.803 5.109 4.320 -0.025 0.000 0.283 610 A C -0.452 176.931 177.584 -0.336 0.000 1.142 610 A CA -0.372 51.428 52.037 -0.395 0.000 0.812 610 A CB 0.960 19.605 19.000 -0.592 0.000 1.074 610 A HN 0.777 nan 8.150 nan 0.000 0.497 611 V N 2.510 122.195 119.914 -0.382 0.000 2.447 611 V HA 0.636 4.742 4.120 -0.025 0.000 0.292 611 V C -0.373 175.595 176.094 -0.209 0.000 1.021 611 V CA -0.336 61.861 62.300 -0.171 0.000 0.850 611 V CB 1.009 32.792 31.823 -0.066 0.000 1.005 611 V HN 1.035 nan 8.190 nan 0.000 0.426 612 E N 3.481 123.660 120.200 -0.036 0.000 2.388 612 E HA 0.603 4.939 4.350 -0.025 0.000 0.289 612 E C -0.632 176.012 176.600 0.074 0.000 0.944 612 E CA -0.640 55.744 56.400 -0.027 0.000 0.792 612 E CB 1.961 31.660 29.700 -0.002 0.000 1.239 612 E HN 0.785 nan 8.360 nan 0.000 0.412 613 A N 3.296 125.983 122.820 -0.221 0.000 3.051 613 A HA 0.567 4.873 4.320 -0.025 0.000 0.257 613 A C 0.244 177.784 177.584 -0.073 0.000 1.785 613 A CA 0.756 52.566 52.037 -0.378 0.000 1.420 613 A CB -0.568 18.097 19.000 -0.559 0.000 1.063 613 A HN 0.522 nan 8.150 nan 0.000 0.630 614 G N -0.579 108.271 108.800 0.083 0.000 2.687 614 G HA2 0.478 4.424 3.960 -0.025 0.000 0.291 614 G HA3 0.478 4.424 3.960 -0.025 0.000 0.291 614 G C -0.814 174.182 174.900 0.159 0.000 1.420 614 G CA -0.810 44.347 45.100 0.094 0.000 0.796 614 G HN 0.302 nan 8.290 nan 0.000 0.485 615 I N 1.365 122.004 120.570 0.114 0.000 2.752 615 I HA 0.315 4.470 4.170 -0.025 0.000 0.289 615 I C 1.729 177.989 176.117 0.238 0.000 1.197 615 I CA 0.704 62.073 61.300 0.116 0.000 1.432 615 I CB 1.218 39.251 38.000 0.054 0.000 1.359 615 I HN 0.688 nan 8.210 nan 0.000 0.571 616 A N 5.062 128.007 122.820 0.209 0.000 1.930 616 A HA -0.135 4.170 4.320 -0.025 0.000 0.217 616 A C 1.834 179.574 177.584 0.260 0.000 1.175 616 A CA 1.514 53.701 52.037 0.251 0.000 0.627 616 A CB -0.564 18.516 19.000 0.134 0.000 0.815 616 A HN 0.808 nan 8.150 nan 0.000 0.443 617 D N -1.592 118.952 120.400 0.241 0.000 2.221 617 D HA -0.184 4.441 4.640 -0.025 0.000 0.204 617 D C 1.494 177.949 176.300 0.258 0.000 0.982 617 D CA 1.303 55.494 54.000 0.319 0.000 0.857 617 D CB -0.396 40.528 40.800 0.206 0.000 0.934 617 D HN 0.634 nan 8.370 nan 0.000 0.475 618 Y N -0.510 119.815 120.300 0.041 0.000 2.193 618 Y HA -0.236 4.300 4.550 -0.022 0.000 0.285 618 Y C 1.631 177.398 175.900 -0.222 0.000 1.166 618 Y CA 1.557 59.556 58.100 -0.169 0.000 1.181 618 Y CB -0.525 37.704 38.460 -0.385 0.000 0.976 618 Y HN 0.015 nan 8.280 nan 0.000 0.520 619 W N -1.531 119.760 121.300 -0.016 0.000 2.937 619 W HA -0.052 4.593 4.660 -0.026 0.000 0.245 619 W C 1.547 177.961 176.519 -0.175 0.000 1.306 619 W CA 0.416 57.722 57.345 -0.065 0.000 1.470 619 W CB -0.584 28.887 29.460 0.019 0.000 1.132 619 W HN 0.083 nan 8.180 nan 0.000 0.675 620 Y N 0.883 121.189 120.300 0.009 0.000 2.315 620 Y HA -0.302 4.233 4.550 -0.025 0.000 0.288 620 Y C 2.438 178.250 175.900 -0.147 0.000 1.154 620 Y CA 1.751 59.827 58.100 -0.039 0.000 1.229 620 Y CB -0.753 37.669 38.460 -0.064 0.000 0.980 620 Y HN -0.030 nan 8.280 nan 0.000 0.540 621 K N -0.534 119.726 120.400 -0.232 0.000 2.113 621 K HA -0.241 4.064 4.320 -0.025 0.000 0.208 621 K C 0.961 177.272 176.600 -0.482 0.000 1.047 621 K CA 2.021 58.013 56.287 -0.492 0.000 0.928 621 K CB -0.275 31.674 32.500 -0.918 0.000 0.716 621 K HN 0.370 nan 8.250 nan 0.000 0.446 622 Y N -1.268 119.050 120.300 0.030 0.000 2.498 622 Y HA 0.045 4.580 4.550 -0.026 0.000 0.259 622 Y C 1.716 177.674 175.900 0.097 0.000 1.086 622 Y CA 0.161 58.328 58.100 0.111 0.000 1.287 622 Y CB 0.705 39.293 38.460 0.213 0.000 1.146 622 Y HN -0.005 nan 8.280 nan 0.000 0.523 623 V N -3.112 116.924 119.914 0.204 0.000 3.471 623 V HA 0.610 4.715 4.120 -0.025 0.000 0.258 623 V C 1.190 177.343 176.094 0.099 0.000 1.192 623 V CA 0.439 62.806 62.300 0.112 0.000 1.116 623 V CB -0.475 31.371 31.823 0.038 0.000 0.792 623 V HN 0.386 nan 8.190 nan 0.000 0.459 624 G N 1.150 110.024 108.800 0.123 0.000 2.601 624 G HA2 -0.282 3.663 3.960 -0.025 0.000 0.252 624 G HA3 -0.282 3.663 3.960 -0.025 0.000 0.252 624 G C 0.147 175.175 174.900 0.213 0.000 1.294 624 G CA 0.266 45.449 45.100 0.140 0.000 0.912 624 G HN 0.578 nan 8.290 nan 0.000 0.574 625 L N 0.725 122.040 121.223 0.153 0.000 2.592 625 L HA 0.252 4.578 4.340 -0.025 0.000 0.227 625 L C 1.457 178.399 176.870 0.119 0.000 1.127 625 L CA 0.280 55.212 54.840 0.153 0.000 0.884 625 L CB -0.082 42.021 42.059 0.073 0.000 1.065 625 L HN 0.454 nan 8.230 nan 0.000 0.457 626 N N 0.183 118.953 118.700 0.117 0.000 2.351 626 N HA 0.207 4.932 4.740 -0.025 0.000 0.254 626 N C 0.401 176.042 175.510 0.220 0.000 1.241 626 N CA 0.119 53.249 53.050 0.133 0.000 0.883 626 N CB 1.638 40.172 38.487 0.078 0.000 1.202 626 N HN 0.211 nan 8.380 nan 0.000 0.512 627 G N -0.073 108.797 108.800 0.118 0.000 3.122 627 G HA2 0.817 4.762 3.960 -0.025 0.000 0.180 627 G HA3 0.817 4.762 3.960 -0.025 0.000 0.180 627 G C -1.264 173.631 174.900 -0.009 0.000 1.279 627 G CA -0.401 44.726 45.100 0.046 0.000 0.987 627 G HN 0.181 nan 8.290 nan 0.000 0.589 628 A N -1.194 121.586 122.820 -0.065 0.000 2.572 628 A HA 0.763 5.068 4.320 -0.025 0.000 0.295 628 A C -1.481 176.036 177.584 -0.111 0.000 1.072 628 A CA -0.515 51.473 52.037 -0.082 0.000 0.691 628 A CB 1.321 20.279 19.000 -0.071 0.000 1.291 628 A HN 0.617 nan 8.150 nan 0.000 0.404 629 I N 1.202 121.704 120.570 -0.113 0.000 2.478 629 I HA 0.359 4.514 4.170 -0.025 0.000 0.287 629 I C -0.913 175.153 176.117 -0.084 0.000 1.042 629 I CA -0.835 60.397 61.300 -0.114 0.000 1.067 629 I CB 2.222 40.147 38.000 -0.124 0.000 1.233 629 I HN 0.275 nan 8.210 nan 0.000 0.431 630 V N 5.834 125.695 119.914 -0.088 0.000 2.270 630 V HA 0.682 4.788 4.120 -0.025 0.000 0.263 630 V C 0.598 176.683 176.094 -0.016 0.000 1.066 630 V CA -0.057 62.172 62.300 -0.118 0.000 0.857 630 V CB 0.327 32.072 31.823 -0.131 0.000 1.099 630 V HN 0.960 nan 8.190 nan 0.000 0.476 631 G N 4.130 112.943 108.800 0.022 0.000 2.975 631 G HA2 0.681 4.626 3.960 -0.025 0.000 0.291 631 G HA3 0.681 4.626 3.960 -0.025 0.000 0.291 631 G C -1.060 173.984 174.900 0.239 0.000 1.334 631 G CA -0.893 44.355 45.100 0.246 0.000 0.843 631 G HN 0.230 nan 8.290 nan 0.000 0.548 632 M N 1.318 121.055 119.600 0.229 0.000 2.318 632 M HA 0.364 4.829 4.480 -0.025 0.000 0.347 632 M C 0.806 177.122 176.300 0.026 0.000 1.175 632 M CA -0.342 55.004 55.300 0.078 0.000 1.075 632 M CB 1.152 33.733 32.600 -0.032 0.000 1.614 632 M HN 0.718 nan 8.290 nan 0.000 0.456 633 T N -2.746 111.802 114.554 -0.010 0.000 3.058 633 T HA 0.226 4.561 4.350 -0.025 0.000 0.278 633 T C 0.424 175.068 174.700 -0.093 0.000 0.974 633 T CA -0.042 62.044 62.100 -0.023 0.000 0.893 633 T CB -0.053 68.827 68.868 0.020 0.000 1.138 633 T HN 0.731 nan 8.240 nan 0.000 0.529 634 T N -0.763 113.710 114.554 -0.135 0.000 2.838 634 T HA 0.744 5.079 4.350 -0.025 0.000 0.292 634 T C -0.642 173.898 174.700 -0.267 0.000 1.113 634 T CA -0.878 61.119 62.100 -0.172 0.000 1.008 634 T CB 0.920 69.820 68.868 0.053 0.000 1.259 634 T HN -0.021 nan 8.240 nan 0.000 0.520 635 F N 0.825 120.766 119.950 -0.015 0.000 2.480 635 F HA 0.529 5.041 4.527 -0.026 0.000 0.319 635 F C 1.755 177.516 175.800 -0.066 0.000 1.230 635 F CA 0.582 58.561 58.000 -0.036 0.000 1.285 635 F CB -0.035 38.973 39.000 0.012 0.000 1.208 635 F HN 0.983 nan 8.300 nan 0.000 0.579 636 G N -0.314 108.572 108.800 0.142 0.000 2.489 636 G HA2 0.476 4.421 3.960 -0.025 0.000 0.271 636 G HA3 0.476 4.421 3.960 -0.025 0.000 0.271 636 G C -0.839 174.207 174.900 0.243 0.000 1.427 636 G CA -0.381 44.761 45.100 0.070 0.000 1.057 636 G HN 0.459 nan 8.290 nan 0.000 0.532 637 E N -1.393 118.949 120.200 0.235 0.000 2.392 637 E HA 0.301 4.636 4.350 -0.025 0.000 0.279 637 E C -1.214 175.439 176.600 0.089 0.000 0.964 637 E CA -0.695 55.809 56.400 0.173 0.000 0.777 637 E CB 1.818 31.631 29.700 0.188 0.000 1.249 637 E HN 0.317 nan 8.360 nan 0.000 0.449 638 S N 0.726 116.454 115.700 0.047 0.000 2.405 638 S HA 0.630 5.085 4.470 -0.025 0.000 0.291 638 S C -0.655 173.948 174.600 0.006 0.000 1.137 638 S CA 0.165 58.373 58.200 0.012 0.000 1.061 638 S CB -0.454 62.746 63.200 0.000 0.000 1.001 638 S HN 0.565 nan 8.310 nan 0.000 0.507 639 A N 6.013 128.830 122.820 -0.005 0.000 2.566 639 A HA 0.724 5.029 4.320 -0.025 0.000 0.290 639 A C -3.237 174.334 177.584 -0.022 0.000 1.071 639 A CA -1.386 50.644 52.037 -0.011 0.000 0.658 639 A CB 0.432 19.426 19.000 -0.009 0.000 1.285 639 A HN 0.542 nan 8.150 nan 0.000 0.427 640 P HA 0.228 nan 4.420 nan 0.000 0.264 640 P C 1.018 178.301 177.300 -0.029 0.000 1.183 640 P CA 0.998 64.089 63.100 -0.015 0.000 0.763 640 P CB 0.742 32.442 31.700 0.001 0.000 0.807 641 A N 4.832 127.625 122.820 -0.044 0.000 1.917 641 A HA -0.242 4.063 4.320 -0.025 0.000 0.219 641 A C 1.926 179.498 177.584 -0.020 0.000 1.182 641 A CA 1.832 53.801 52.037 -0.113 0.000 0.633 641 A CB -1.022 17.938 19.000 -0.068 0.000 0.819 641 A HN 0.676 nan 8.150 nan 0.000 0.448 642 E N 0.637 120.899 120.200 0.102 0.000 2.153 642 E HA -0.181 4.154 4.350 -0.025 0.000 0.194 642 E C 1.914 178.598 176.600 0.141 0.000 0.988 642 E CA 1.437 57.949 56.400 0.186 0.000 0.811 642 E CB -0.695 29.079 29.700 0.124 0.000 0.746 642 E HN 0.647 nan 8.360 nan 0.000 0.466 643 L N 0.365 121.625 121.223 0.062 0.000 2.156 643 L HA -0.041 4.284 4.340 -0.025 0.000 0.208 643 L C 2.796 179.681 176.870 0.024 0.000 1.095 643 L CA 0.565 55.426 54.840 0.035 0.000 0.770 643 L CB -0.406 41.655 42.059 0.004 0.000 0.914 643 L HN 0.060 nan 8.230 nan 0.000 0.439 644 L N -1.311 119.914 121.223 0.004 0.000 2.056 644 L HA -0.185 4.140 4.340 -0.025 0.000 0.207 644 L C 2.573 179.549 176.870 0.177 0.000 1.078 644 L CA 1.196 56.059 54.840 0.039 0.000 0.749 644 L CB -0.545 41.499 42.059 -0.026 0.000 0.901 644 L HN 0.102 nan 8.230 nan 0.000 0.433 645 F N 0.676 120.755 119.950 0.216 0.000 2.126 645 F HA -0.210 4.301 4.527 -0.026 0.000 0.299 645 F C 2.592 178.541 175.800 0.249 0.000 1.096 645 F CA 1.261 59.434 58.000 0.288 0.000 1.255 645 F CB -0.602 38.498 39.000 0.166 0.000 0.997 645 F HN 0.108 nan 8.300 nan 0.000 0.479 646 E N -0.193 120.183 120.200 0.293 0.000 2.031 646 E HA -0.283 4.052 4.350 -0.025 0.000 0.193 646 E C 2.112 178.746 176.600 0.056 0.000 0.994 646 E CA 1.539 58.024 56.400 0.142 0.000 0.800 646 E CB -0.290 29.456 29.700 0.076 0.000 0.752 646 E HN 0.351 nan 8.360 nan 0.000 0.447 647 E N 0.320 120.503 120.200 -0.029 0.000 2.085 647 E HA -0.185 4.150 4.350 -0.025 0.000 0.194 647 E C 1.216 177.643 176.600 -0.288 0.000 0.994 647 E CA 1.234 57.488 56.400 -0.242 0.000 0.801 647 E CB -0.134 29.290 29.700 -0.460 0.000 0.743 647 E HN 0.155 nan 8.360 nan 0.000 0.453 648 F N -0.936 119.076 119.950 0.103 0.000 2.693 648 F HA 0.363 4.876 4.527 -0.024 0.000 0.303 648 F C 1.519 177.232 175.800 -0.146 0.000 1.097 648 F CA 0.528 58.575 58.000 0.079 0.000 1.330 648 F CB 0.891 40.048 39.000 0.262 0.000 1.067 648 F HN 0.214 nan 8.300 nan 0.000 0.565 649 G N -0.327 108.470 108.800 -0.004 0.000 2.141 649 G HA2 -0.297 3.648 3.960 -0.025 0.000 0.231 649 G HA3 -0.297 3.648 3.960 -0.025 0.000 0.231 649 G C 0.140 174.848 174.900 -0.320 0.000 0.984 649 G CA -0.535 44.451 45.100 -0.190 0.000 0.660 649 G HN 0.197 nan 8.290 nan 0.000 0.525 650 F N 2.812 122.854 119.950 0.153 0.000 2.640 650 F HA 0.491 5.004 4.527 -0.023 0.000 0.354 650 F C 1.246 177.057 175.800 0.018 0.000 1.213 650 F CA 0.486 58.539 58.000 0.090 0.000 1.314 650 F CB 0.226 39.334 39.000 0.181 0.000 1.679 650 F HN 0.268 nan 8.300 nan 0.000 0.622 651 T N -3.844 110.746 114.554 0.061 0.000 2.906 651 T HA 0.430 4.765 4.350 -0.025 0.000 0.295 651 T C 0.812 175.499 174.700 -0.021 0.000 1.061 651 T CA -0.764 61.349 62.100 0.022 0.000 1.000 651 T CB 1.682 70.561 68.868 0.018 0.000 1.103 651 T HN -0.105 nan 8.240 nan 0.000 0.486 652 V N 1.269 121.163 119.914 -0.034 0.000 2.332 652 V HA -0.144 3.962 4.120 -0.025 0.000 0.248 652 V C 2.396 178.467 176.094 -0.038 0.000 1.055 652 V CA 2.090 64.358 62.300 -0.053 0.000 1.038 652 V CB -0.802 30.988 31.823 -0.055 0.000 0.651 652 V HN 0.887 nan 8.190 nan 0.000 0.450 653 D N 0.137 120.521 120.400 -0.026 0.000 2.123 653 D HA -0.182 4.443 4.640 -0.025 0.000 0.196 653 D C 2.085 178.372 176.300 -0.021 0.000 0.992 653 D CA 1.770 55.758 54.000 -0.020 0.000 0.833 653 D CB -0.443 40.346 40.800 -0.017 0.000 0.954 653 D HN 0.494 nan 8.370 nan 0.000 0.455 654 N N -0.036 118.646 118.700 -0.030 0.000 2.171 654 N HA -0.111 4.614 4.740 -0.025 0.000 0.184 654 N C 1.670 177.159 175.510 -0.035 0.000 1.021 654 N CA 0.719 53.744 53.050 -0.042 0.000 0.854 654 N CB -0.011 38.434 38.487 -0.069 0.000 0.994 654 N HN -0.065 nan 8.380 nan 0.000 0.426 655 V N -0.194 119.701 119.914 -0.033 0.000 2.343 655 V HA -0.168 3.937 4.120 -0.025 0.000 0.247 655 V C 2.273 178.410 176.094 0.071 0.000 1.051 655 V CA 1.288 63.591 62.300 0.005 0.000 1.036 655 V CB -0.497 31.300 31.823 -0.044 0.000 0.654 655 V HN 0.177 nan 8.190 nan 0.000 0.451 656 V N 0.356 120.292 119.914 0.037 0.000 2.295 656 V HA -0.267 3.838 4.120 -0.025 0.000 0.246 656 V C 2.721 178.845 176.094 0.050 0.000 1.049 656 V CA 2.077 64.416 62.300 0.066 0.000 1.024 656 V CB -1.139 30.699 31.823 0.025 0.000 0.648 656 V HN 0.561 nan 8.190 nan 0.000 0.447 657 A N -0.397 122.434 122.820 0.019 0.000 1.902 657 A HA -0.201 4.104 4.320 -0.025 0.000 0.217 657 A C 2.288 179.875 177.584 0.005 0.000 1.181 657 A CA 1.666 53.706 52.037 0.005 0.000 0.623 657 A CB -0.407 18.586 19.000 -0.012 0.000 0.818 657 A HN 0.412 nan 8.150 nan 0.000 0.443 658 K N -0.108 120.295 120.400 0.004 0.000 2.097 658 K HA -0.013 4.292 4.320 -0.025 0.000 0.205 658 K C 2.265 178.864 176.600 -0.002 0.000 1.050 658 K CA 1.275 57.559 56.287 -0.005 0.000 0.938 658 K CB -0.783 31.707 32.500 -0.017 0.000 0.718 658 K HN 0.456 nan 8.250 nan 0.000 0.442 659 A N 1.914 124.752 122.820 0.029 0.000 1.877 659 A HA -0.176 4.129 4.320 -0.025 0.000 0.216 659 A C 2.112 179.678 177.584 -0.030 0.000 1.186 659 A CA 1.603 53.628 52.037 -0.019 0.000 0.620 659 A CB -0.312 18.724 19.000 0.060 0.000 0.822 659 A HN 0.257 nan 8.150 nan 0.000 0.443 660 K N -0.612 119.797 120.400 0.015 0.000 2.097 660 K HA -0.163 4.142 4.320 -0.025 0.000 0.205 660 K C 2.119 178.750 176.600 0.051 0.000 1.050 660 K CA 1.385 57.691 56.287 0.031 0.000 0.938 660 K CB -0.127 32.399 32.500 0.044 0.000 0.718 660 K HN 0.713 nan 8.250 nan 0.000 0.442 661 E N 1.103 121.323 120.200 0.033 0.000 2.077 661 E HA -0.221 4.114 4.350 -0.025 0.000 0.193 661 E C 2.053 178.711 176.600 0.097 0.000 0.989 661 E CA 0.843 57.273 56.400 0.051 0.000 0.800 661 E CB 0.021 29.726 29.700 0.008 0.000 0.746 661 E HN 0.108 nan 8.360 nan 0.000 0.452 662 L N 0.966 122.209 121.223 0.034 0.000 2.017 662 L HA -0.168 4.157 4.340 -0.025 0.000 0.208 662 L C 2.213 179.099 176.870 0.027 0.000 1.073 662 L CA 1.588 56.451 54.840 0.038 0.000 0.745 662 L CB -0.440 41.578 42.059 -0.068 0.000 0.894 662 L HN 0.231 nan 8.230 nan 0.000 0.432 663 L N -1.141 120.012 121.223 -0.116 0.000 2.083 663 L HA -0.250 4.075 4.340 -0.025 0.000 0.209 663 L C 2.712 179.345 176.870 -0.396 0.000 1.083 663 L CA 1.476 56.112 54.840 -0.339 0.000 0.752 663 L CB -0.989 40.912 42.059 -0.263 0.000 0.899 663 L HN 0.503 nan 8.230 nan 0.000 0.433 664 H N -0.569 118.453 119.070 -0.080 0.000 2.353 664 H HA -0.245 4.296 4.556 -0.025 0.000 0.300 664 H C 2.260 177.729 175.328 0.235 0.000 1.090 664 H CA 2.048 58.182 56.048 0.143 0.000 1.327 664 H CB -0.074 29.789 29.762 0.167 0.000 1.383 664 H HN 0.425 nan 8.280 nan 0.000 0.508 665 H N -0.162 119.031 119.070 0.205 0.000 2.321 665 H HA -0.144 4.398 4.556 -0.025 0.000 0.300 665 H C 1.977 177.342 175.328 0.063 0.000 1.087 665 H CA 1.836 57.977 56.048 0.156 0.000 1.319 665 H CB -0.033 29.815 29.762 0.144 0.000 1.379 665 H HN 0.462 nan 8.280 nan 0.000 0.501 666 H N -0.537 118.480 119.070 -0.090 0.000 2.387 666 H HA -0.092 4.449 4.556 -0.025 0.000 0.299 666 H C 2.136 177.362 175.328 -0.170 0.000 1.099 666 H CA 1.896 57.848 56.048 -0.159 0.000 1.315 666 H CB -0.304 29.353 29.762 -0.175 0.000 1.380 666 H HN 0.619 nan 8.280 nan 0.000 0.513 667 H N -1.710 117.309 119.070 -0.085 0.000 2.495 667 H HA 0.036 4.577 4.556 -0.025 0.000 0.287 667 H C 0.253 175.234 175.328 -0.578 0.000 1.033 667 H CA 0.285 56.130 56.048 -0.339 0.000 1.307 667 H CB 0.326 29.820 29.762 -0.446 0.000 1.401 667 H HN 0.425 nan 8.280 nan 0.000 0.555 668 H N 0.000 118.990 119.070 -0.133 0.000 2.539 668 H HA 0.000 4.541 4.556 -0.025 0.000 0.296 668 H CA 0.000 55.947 56.048 -0.168 0.000 1.023 668 H CB 0.000 29.629 29.762 -0.221 0.000 1.292 668 H HN 0.000 nan 8.280 nan 0.000 0.496