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 2r8p_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 LLHHHH 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 0.000 174.610 174.600 0.016 0.000 1.055 2 S CA 0.000 58.220 58.200 0.033 0.000 1.107 2 S CB 0.000 63.237 63.200 0.061 0.000 0.593 3 S N 1.183 116.903 115.700 0.033 0.000 2.600 3 S HA 0.364 4.826 4.470 -0.013 0.000 0.265 3 S C 1.088 175.695 174.600 0.011 0.000 1.325 3 S CA -0.612 57.601 58.200 0.022 0.000 1.002 3 S CB 0.470 63.693 63.200 0.038 0.000 0.921 3 S HN 0.724 nan 8.310 nan 0.000 0.554 4 R N 1.037 121.532 120.500 -0.009 0.000 2.096 4 R HA -0.078 4.254 4.340 -0.013 0.000 0.235 4 R C 2.235 178.541 176.300 0.010 0.000 1.127 4 R CA 1.590 57.671 56.100 -0.032 0.000 0.968 4 R CB -0.431 29.848 30.300 -0.035 0.000 0.861 4 R HN 0.690 nan 8.270 nan 0.000 0.440 5 K N 0.885 121.308 120.400 0.039 0.000 2.063 5 K HA -0.172 4.140 4.320 -0.013 0.000 0.208 5 K C 2.009 178.683 176.600 0.123 0.000 1.048 5 K CA 1.466 57.793 56.287 0.067 0.000 0.928 5 K CB -0.060 32.488 32.500 0.080 0.000 0.713 5 K HN 0.320 nan 8.250 nan 0.000 0.442 6 E N 0.890 121.180 120.200 0.150 0.000 2.077 6 E HA -0.161 4.181 4.350 -0.013 0.000 0.193 6 E C 2.109 178.899 176.600 0.317 0.000 0.989 6 E CA 0.916 57.472 56.400 0.260 0.000 0.800 6 E CB -0.099 29.735 29.700 0.223 0.000 0.746 6 E HN 0.238 nan 8.360 nan 0.000 0.452 7 L N 0.509 121.851 121.223 0.198 0.000 2.056 7 L HA -0.155 4.177 4.340 -0.013 0.000 0.207 7 L C 2.603 179.711 176.870 0.397 0.000 1.078 7 L CA 0.960 55.946 54.840 0.244 0.000 0.749 7 L CB -0.468 41.494 42.059 -0.162 0.000 0.901 7 L HN 0.138 nan 8.230 nan 0.000 0.433 8 A N 0.166 123.112 122.820 0.211 0.000 1.933 8 A HA -0.193 4.119 4.320 -0.013 0.000 0.218 8 A C 1.977 179.592 177.584 0.051 0.000 1.175 8 A CA 1.689 53.831 52.037 0.174 0.000 0.628 8 A CB -0.535 18.506 19.000 0.068 0.000 0.814 8 A HN 0.422 nan 8.150 nan 0.000 0.444 9 N N 0.623 119.344 118.700 0.034 0.000 2.364 9 N HA -0.088 4.644 4.740 -0.013 0.000 0.183 9 N C 1.737 176.872 175.510 -0.626 0.000 1.022 9 N CA 1.269 54.229 53.050 -0.150 0.000 0.883 9 N CB -0.513 38.016 38.487 0.071 0.000 0.965 9 N HN 0.495 nan 8.380 nan 0.000 0.438 10 A N 1.091 123.618 122.820 -0.489 0.000 1.908 10 A HA -0.108 4.204 4.320 -0.013 0.000 0.218 10 A C 2.265 179.526 177.584 -0.538 0.000 1.181 10 A CA 0.952 52.586 52.037 -0.673 0.000 0.627 10 A CB -0.634 18.316 19.000 -0.084 0.000 0.818 10 A HN 0.238 nan 8.150 nan 0.000 0.445 11 I N -0.865 119.489 120.570 -0.360 0.000 2.179 11 I HA -0.291 3.871 4.170 -0.013 0.000 0.242 11 I C 2.778 178.695 176.117 -0.334 0.000 1.088 11 I CA 1.482 62.576 61.300 -0.344 0.000 1.357 11 I CB -0.381 37.468 38.000 -0.252 0.000 1.051 11 I HN 0.299 nan 8.210 nan 0.000 0.409 12 R N 0.830 121.138 120.500 -0.320 0.000 2.073 12 R HA -0.145 4.187 4.340 -0.013 0.000 0.234 12 R C 2.483 178.563 176.300 -0.367 0.000 1.134 12 R CA 1.545 57.480 56.100 -0.274 0.000 0.952 12 R CB -0.575 29.612 30.300 -0.189 0.000 0.850 12 R HN 0.381 nan 8.270 nan 0.000 0.433 13 A N 1.545 124.006 122.820 -0.598 0.000 1.858 13 A HA -0.139 4.173 4.320 -0.013 0.000 0.216 13 A C 2.252 179.568 177.584 -0.447 0.000 1.190 13 A CA 1.213 52.877 52.037 -0.622 0.000 0.617 13 A CB -0.689 17.621 19.000 -1.150 0.000 0.827 13 A HN 0.170 nan 8.150 nan 0.000 0.443 14 L N -0.308 120.655 121.223 -0.433 0.000 2.079 14 L HA -0.194 4.138 4.340 -0.013 0.000 0.210 14 L C 2.888 179.557 176.870 -0.334 0.000 1.081 14 L CA 1.526 56.149 54.840 -0.362 0.000 0.752 14 L CB -0.480 41.410 42.059 -0.282 0.000 0.896 14 L HN 0.357 nan 8.230 nan 0.000 0.433 15 S N 0.289 115.802 115.700 -0.312 0.000 2.345 15 S HA -0.189 4.273 4.470 -0.013 0.000 0.220 15 S C 1.959 176.414 174.600 -0.241 0.000 1.031 15 S CA 1.843 59.872 58.200 -0.284 0.000 0.996 15 S CB -0.274 62.782 63.200 -0.240 0.000 0.882 15 S HN 0.507 nan 8.310 nan 0.000 0.445 16 M N 1.287 120.759 119.600 -0.213 0.000 2.175 16 M HA -0.076 4.396 4.480 -0.013 0.000 0.264 16 M C 0.918 177.123 176.300 -0.159 0.000 1.063 16 M CA 1.696 56.903 55.300 -0.155 0.000 1.119 16 M CB -0.652 31.868 32.600 -0.133 0.000 1.377 16 M HN -0.037 nan 8.290 nan 0.000 0.415 17 D N 1.403 121.650 120.400 -0.255 0.000 2.149 17 D HA 0.030 4.662 4.640 -0.013 0.000 0.201 17 D C 2.325 178.503 176.300 -0.202 0.000 0.972 17 D CA 1.776 55.582 54.000 -0.323 0.000 0.835 17 D CB -0.166 40.246 40.800 -0.647 0.000 0.966 17 D HN 0.548 nan 8.370 nan 0.000 0.476 18 A N 0.686 123.404 122.820 -0.170 0.000 1.898 18 A HA -0.108 4.204 4.320 -0.013 0.000 0.216 18 A C 2.511 180.193 177.584 0.164 0.000 1.181 18 A CA 1.024 53.123 52.037 0.104 0.000 0.620 18 A CB -0.714 18.221 19.000 -0.107 0.000 0.819 18 A HN 0.126 nan 8.150 nan 0.000 0.442 19 V N -0.189 119.743 119.914 0.031 0.000 2.343 19 V HA -0.280 3.832 4.120 -0.013 0.000 0.247 19 V C 2.748 178.930 176.094 0.146 0.000 1.051 19 V CA 2.372 64.780 62.300 0.181 0.000 1.036 19 V CB -0.717 31.148 31.823 0.070 0.000 0.654 19 V HN 0.672 nan 8.190 nan 0.000 0.451 20 Q N 0.562 120.405 119.800 0.072 0.000 2.084 20 Q HA -0.214 4.118 4.340 -0.013 0.000 0.202 20 Q C 2.241 178.303 176.000 0.102 0.000 0.978 20 Q CA 2.049 57.888 55.803 0.060 0.000 0.844 20 Q CB -0.398 28.352 28.738 0.019 0.000 0.898 20 Q HN 0.610 nan 8.270 nan 0.000 0.426 21 K N -1.005 119.494 120.400 0.164 0.000 2.097 21 K HA -0.074 4.238 4.320 -0.013 0.000 0.206 21 K C 1.674 178.362 176.600 0.146 0.000 1.049 21 K CA 1.202 57.601 56.287 0.186 0.000 0.933 21 K CB -0.228 32.456 32.500 0.305 0.000 0.717 21 K HN 0.243 nan 8.250 nan 0.000 0.442 22 A N 0.921 123.852 122.820 0.186 0.000 2.119 22 A HA -0.026 4.286 4.320 -0.013 0.000 0.216 22 A C 0.380 178.004 177.584 0.066 0.000 1.152 22 A CA 0.923 53.036 52.037 0.128 0.000 0.708 22 A CB -0.206 18.905 19.000 0.184 0.000 0.805 22 A HN 0.438 nan 8.150 nan 0.000 0.460 23 K N -0.839 119.606 120.400 0.075 0.000 3.016 23 K HA -0.160 4.152 4.320 -0.013 0.000 0.262 23 K C -0.134 176.477 176.600 0.019 0.000 1.043 23 K CA 0.853 57.163 56.287 0.039 0.000 0.761 23 K CB -1.951 30.563 32.500 0.024 0.000 1.230 23 K HN 0.498 nan 8.250 nan 0.000 0.485 24 S N -1.522 114.200 115.700 0.037 0.000 2.556 24 S HA 0.673 5.135 4.470 -0.013 0.000 0.280 24 S C -0.506 174.128 174.600 0.057 0.000 1.141 24 S CA 0.319 58.516 58.200 -0.005 0.000 0.883 24 S CB 2.002 65.172 63.200 -0.050 0.000 1.103 24 S HN 0.947 nan 8.310 nan 0.000 0.453 25 G N 2.865 111.643 108.800 -0.036 0.000 2.343 25 G HA2 0.187 4.139 3.960 -0.013 0.000 0.562 25 G HA3 0.187 4.139 3.960 -0.013 0.000 0.562 25 G C -1.957 172.824 174.900 -0.198 0.000 1.269 25 G CA -0.763 44.373 45.100 0.060 0.000 1.011 25 G HN 0.986 nan 8.290 nan 0.000 0.498 26 H N 1.247 120.360 119.070 0.072 0.000 2.866 26 H HA 0.502 5.050 4.556 -0.012 0.000 0.287 26 H C -1.657 173.653 175.328 -0.030 0.000 1.106 26 H CA -1.231 54.796 56.048 -0.035 0.000 1.396 26 H CB 2.025 31.767 29.762 -0.033 0.000 1.469 26 H HN 0.336 nan 8.280 nan 0.000 0.500 27 P HA 0.002 nan 4.420 nan 0.000 0.235 27 P C 1.625 178.938 177.300 0.023 0.000 1.177 27 P CA 0.615 63.713 63.100 -0.003 0.000 0.785 27 P CB 0.507 32.190 31.700 -0.029 0.000 0.885 28 G N 1.325 110.163 108.800 0.062 0.000 2.480 28 G HA2 -0.251 3.701 3.960 -0.013 0.000 0.216 28 G HA3 -0.251 3.701 3.960 -0.013 0.000 0.216 28 G C 1.776 176.742 174.900 0.111 0.000 1.200 28 G CA 1.249 46.409 45.100 0.099 0.000 0.782 28 G HN 0.328 nan 8.290 nan 0.000 0.554 29 A N 1.485 124.387 122.820 0.136 0.000 1.898 29 A HA 0.113 4.425 4.320 -0.013 0.000 0.216 29 A C 0.792 178.393 177.584 0.029 0.000 1.181 29 A CA 1.953 54.049 52.037 0.099 0.000 0.620 29 A CB -1.130 17.926 19.000 0.094 0.000 0.819 29 A HN 0.382 nan 8.150 nan 0.000 0.442 30 P HA -0.157 nan 4.420 nan 0.000 0.215 30 P C 1.624 178.902 177.300 -0.036 0.000 1.153 30 P CA 1.411 64.480 63.100 -0.051 0.000 0.853 30 P CB -0.174 31.462 31.700 -0.106 0.000 0.788 31 M N -1.600 117.997 119.600 -0.005 0.000 2.175 31 M HA -0.016 4.456 4.480 -0.013 0.000 0.264 31 M C 2.238 178.598 176.300 0.100 0.000 1.063 31 M CA 1.973 57.293 55.300 0.034 0.000 1.119 31 M CB -1.149 31.479 32.600 0.048 0.000 1.377 31 M HN -0.015 nan 8.290 nan 0.000 0.415 32 G N -0.072 108.795 108.800 0.112 0.000 2.421 32 G HA2 -0.112 3.840 3.960 -0.013 0.000 0.217 32 G HA3 -0.112 3.840 3.960 -0.013 0.000 0.217 32 G C 1.435 176.362 174.900 0.045 0.000 1.143 32 G CA 0.375 45.572 45.100 0.163 0.000 0.784 32 G HN 0.370 nan 8.290 nan 0.000 0.541 33 M N 0.672 120.252 119.600 -0.034 0.000 2.428 33 M HA 0.307 4.779 4.480 -0.013 0.000 0.239 33 M C 2.623 178.871 176.300 -0.088 0.000 1.121 33 M CA 0.212 55.430 55.300 -0.136 0.000 1.019 33 M CB 0.571 33.062 32.600 -0.181 0.000 1.485 33 M HN 0.265 nan 8.290 nan 0.000 0.484 34 A N 1.350 124.140 122.820 -0.049 0.000 1.908 34 A HA -0.196 4.116 4.320 -0.013 0.000 0.218 34 A C 1.709 179.285 177.584 -0.012 0.000 1.181 34 A CA 1.927 53.943 52.037 -0.035 0.000 0.627 34 A CB -0.471 18.500 19.000 -0.048 0.000 0.818 34 A HN 0.416 nan 8.150 nan 0.000 0.445 35 D N -0.062 120.306 120.400 -0.054 0.000 2.144 35 D HA -0.087 4.545 4.640 -0.013 0.000 0.200 35 D C 1.908 178.188 176.300 -0.033 0.000 0.978 35 D CA 1.248 55.221 54.000 -0.046 0.000 0.833 35 D CB -0.332 40.418 40.800 -0.084 0.000 0.961 35 D HN 0.561 nan 8.370 nan 0.000 0.470 36 I N 1.633 122.149 120.570 -0.089 0.000 2.179 36 I HA -0.229 3.933 4.170 -0.013 0.000 0.242 36 I C 2.641 178.773 176.117 0.025 0.000 1.088 36 I CA 1.024 62.266 61.300 -0.097 0.000 1.357 36 I CB -0.288 37.524 38.000 -0.313 0.000 1.051 36 I HN -0.095 nan 8.210 nan 0.000 0.409 37 A N 0.223 123.109 122.820 0.110 0.000 1.933 37 A HA -0.242 4.070 4.320 -0.013 0.000 0.218 37 A C 2.376 180.071 177.584 0.185 0.000 1.175 37 A CA 1.700 53.850 52.037 0.188 0.000 0.628 37 A CB -0.557 18.468 19.000 0.042 0.000 0.814 37 A HN 0.432 nan 8.150 nan 0.000 0.444 38 E N 0.264 120.568 120.200 0.172 0.000 2.051 38 E HA -0.141 4.201 4.350 -0.013 0.000 0.192 38 E C 2.091 178.727 176.600 0.060 0.000 0.991 38 E CA 1.726 58.208 56.400 0.137 0.000 0.799 38 E CB -0.269 29.460 29.700 0.049 0.000 0.748 38 E HN 0.325 nan 8.360 nan 0.000 0.449 39 V N 1.608 121.574 119.914 0.087 0.000 2.307 39 V HA -0.254 3.858 4.120 -0.013 0.000 0.245 39 V C 2.672 178.909 176.094 0.239 0.000 1.045 39 V CA 1.642 64.024 62.300 0.136 0.000 1.024 39 V CB -0.643 31.283 31.823 0.173 0.000 0.651 39 V HN 0.255 nan 8.190 nan 0.000 0.449 40 L N -0.739 120.608 121.223 0.207 0.000 1.989 40 L HA -0.148 4.184 4.340 -0.013 0.000 0.211 40 L C 2.052 178.981 176.870 0.098 0.000 1.071 40 L CA 2.201 57.120 54.840 0.132 0.000 0.749 40 L CB -0.767 41.249 42.059 -0.072 0.000 0.890 40 L HN 0.392 nan 8.230 nan 0.000 0.431 41 W N 0.091 121.337 121.300 -0.089 0.000 2.409 41 W HA -0.000 4.652 4.660 -0.014 0.000 0.299 41 W C 2.818 179.353 176.519 0.027 0.000 1.203 41 W CA 1.192 58.495 57.345 -0.071 0.000 1.298 41 W CB -0.289 29.158 29.460 -0.022 0.000 1.127 41 W HN 0.037 nan 8.180 nan 0.000 0.528 42 R N -0.547 120.054 120.500 0.169 0.000 2.119 42 R HA -0.053 4.279 4.340 -0.013 0.000 0.222 42 R C 0.993 177.256 176.300 -0.061 0.000 1.088 42 R CA 1.383 57.484 56.100 0.002 0.000 0.984 42 R CB -0.233 29.929 30.300 -0.230 0.000 0.884 42 R HN 0.076 nan 8.270 nan 0.000 0.447 43 D N -1.327 119.011 120.400 -0.104 0.000 2.380 43 D HA 0.066 4.698 4.640 -0.013 0.000 0.212 43 D C 0.817 176.758 176.300 -0.599 0.000 1.021 43 D CA 0.784 54.554 54.000 -0.383 0.000 0.884 43 D CB 0.390 40.864 40.800 -0.544 0.000 1.001 43 D HN 0.059 nan 8.370 nan 0.000 0.506 44 F N -0.398 119.527 119.950 -0.042 0.000 2.581 44 F HA 0.274 4.793 4.527 -0.013 0.000 0.278 44 F C 0.465 176.233 175.800 -0.052 0.000 1.000 44 F CA -0.587 57.378 58.000 -0.058 0.000 1.230 44 F CB 0.058 38.986 39.000 -0.120 0.000 1.008 44 F HN -0.214 nan 8.300 nan 0.000 0.695 45 L N 2.667 123.890 121.223 0.001 0.000 2.559 45 L HA 0.041 4.373 4.340 -0.013 0.000 0.274 45 L C 0.450 177.395 176.870 0.126 0.000 1.205 45 L CA 0.280 55.055 54.840 -0.108 0.000 0.907 45 L CB 0.079 41.730 42.059 -0.680 0.000 1.153 45 L HN 0.021 nan 8.230 nan 0.000 0.490 46 K N 5.279 125.791 120.400 0.187 0.000 2.263 46 K HA 0.362 4.674 4.320 -0.013 0.000 0.282 46 K C -1.146 175.640 176.600 0.310 0.000 1.089 46 K CA -0.332 56.111 56.287 0.261 0.000 0.907 46 K CB 0.100 32.729 32.500 0.216 0.000 1.148 46 K HN 0.948 nan 8.250 nan 0.000 0.470 47 H N 0.093 119.293 119.070 0.217 0.000 3.042 47 H HA 0.356 4.903 4.556 -0.014 0.000 0.346 47 H C -1.620 173.862 175.328 0.256 0.000 1.294 47 H CA -1.280 54.919 56.048 0.250 0.000 1.141 47 H CB 1.086 30.899 29.762 0.085 0.000 1.872 47 H HN 0.293 nan 8.280 nan 0.000 0.541 48 N N 2.087 120.868 118.700 0.135 0.000 2.569 48 N HA 0.288 5.020 4.740 -0.013 0.000 0.254 48 N C -2.219 173.108 175.510 -0.306 0.000 1.004 48 N CA -2.775 50.172 53.050 -0.171 0.000 0.904 48 N CB 1.786 40.162 38.487 -0.185 0.000 1.165 48 N HN 0.406 nan 8.380 nan 0.000 0.513 49 P HA -0.153 nan 4.420 nan 0.000 0.217 49 P C 0.623 177.569 177.300 -0.591 0.000 1.148 49 P CA 1.420 63.845 63.100 -1.125 0.000 0.828 49 P CB 0.368 31.609 31.700 -0.765 0.000 0.783 50 Q N -2.139 117.464 119.800 -0.329 0.000 2.432 50 Q HA -0.003 4.329 4.340 -0.013 0.000 0.205 50 Q C 0.412 176.338 176.000 -0.124 0.000 0.945 50 Q CA 0.500 56.189 55.803 -0.190 0.000 0.924 50 Q CB -0.193 28.451 28.738 -0.157 0.000 1.016 50 Q HN 0.162 nan 8.270 nan 0.000 0.503 51 N N 0.065 118.698 118.700 -0.111 0.000 2.707 51 N HA 0.171 4.903 4.740 -0.013 0.000 0.249 51 N C -2.493 173.060 175.510 0.071 0.000 1.299 51 N CA -1.861 51.177 53.050 -0.020 0.000 0.769 51 N CB 1.271 39.740 38.487 -0.030 0.000 1.236 51 N HN -0.232 nan 8.380 nan 0.000 0.524 52 P HA 0.026 nan 4.420 nan 0.000 0.228 52 P C 0.271 177.646 177.300 0.125 0.000 1.151 52 P CA 0.891 64.119 63.100 0.215 0.000 0.770 52 P CB 0.401 32.271 31.700 0.284 0.000 0.786 53 S N -2.639 113.110 115.700 0.081 0.000 2.557 53 S HA 0.056 4.518 4.470 -0.013 0.000 0.223 53 S C 0.028 174.636 174.600 0.014 0.000 0.969 53 S CA -0.673 57.538 58.200 0.018 0.000 0.927 53 S CB -0.494 62.709 63.200 0.006 0.000 0.806 53 S HN 0.268 nan 8.310 nan 0.000 0.489 54 W N 3.255 124.455 121.300 -0.168 0.000 2.443 54 W HA 0.206 4.861 4.660 -0.008 0.000 0.335 54 W C 1.066 177.342 176.519 -0.405 0.000 1.382 54 W CA -0.745 56.440 57.345 -0.267 0.000 1.305 54 W CB -0.210 29.104 29.460 -0.243 0.000 1.283 54 W HN 0.208 nan 8.180 nan 0.000 0.567 55 A N 4.029 126.623 122.820 -0.376 0.000 1.948 55 A HA -0.259 4.053 4.320 -0.013 0.000 0.220 55 A C 1.591 178.648 177.584 -0.878 0.000 1.177 55 A CA 2.176 53.882 52.037 -0.551 0.000 0.636 55 A CB -0.453 18.373 19.000 -0.291 0.000 0.815 55 A HN 0.642 nan 8.150 nan 0.000 0.449 56 D N -1.113 118.348 120.400 -1.566 0.000 2.424 56 D HA 0.084 4.716 4.640 -0.013 0.000 0.220 56 D C 0.694 175.986 176.300 -1.681 0.000 1.150 56 D CA -0.365 52.801 54.000 -1.390 0.000 0.831 56 D CB -0.082 39.925 40.800 -1.322 0.000 0.981 56 D HN 0.594 nan 8.370 nan 0.000 0.500 57 R N 0.199 119.613 120.500 -1.810 0.000 2.679 57 R HA 0.135 4.467 4.340 -0.013 0.000 0.268 57 R C -0.366 175.494 176.300 -0.734 0.000 1.044 57 R CA -0.310 55.081 56.100 -1.181 0.000 1.105 57 R CB 0.394 30.345 30.300 -0.583 0.000 0.989 57 R HN -0.140 nan 8.270 nan 0.000 0.447 58 D N 1.418 121.638 120.400 -0.301 0.000 2.400 58 D HA 0.070 4.702 4.640 -0.013 0.000 0.238 58 D C -0.270 175.990 176.300 -0.066 0.000 1.157 58 D CA 0.249 54.226 54.000 -0.038 0.000 0.889 58 D CB 0.591 41.494 40.800 0.171 0.000 1.199 58 D HN 0.308 nan 8.370 nan 0.000 0.436 59 R N 0.712 121.238 120.500 0.044 0.000 2.393 59 R HA 0.434 4.766 4.340 -0.013 0.000 0.310 59 R C -0.820 175.589 176.300 0.181 0.000 0.968 59 R CA -0.681 55.459 56.100 0.067 0.000 0.867 59 R CB 0.697 31.041 30.300 0.073 0.000 1.124 59 R HN 0.320 nan 8.270 nan 0.000 0.450 60 F N 2.998 122.950 119.950 0.002 0.000 2.480 60 F HA 0.674 5.194 4.527 -0.011 0.000 0.329 60 F C -0.988 174.834 175.800 0.036 0.000 1.091 60 F CA -0.856 57.160 58.000 0.026 0.000 0.972 60 F CB 1.295 40.264 39.000 -0.052 0.000 1.150 60 F HN 0.184 nan 8.300 nan 0.000 0.467 61 V N 7.046 126.467 119.914 -0.821 0.000 2.577 61 V HA 0.303 4.415 4.120 -0.013 0.000 0.303 61 V C -1.003 174.574 176.094 -0.861 0.000 1.042 61 V CA -0.800 61.143 62.300 -0.596 0.000 0.872 61 V CB 1.650 33.342 31.823 -0.217 0.000 0.998 61 V HN 0.693 nan 8.190 nan 0.000 0.423 62 L N 4.052 124.955 121.223 -0.534 0.000 2.328 62 L HA 0.386 4.718 4.340 -0.013 0.000 0.280 62 L C 1.412 178.228 176.870 -0.090 0.000 1.111 62 L CA 0.864 55.552 54.840 -0.254 0.000 0.909 62 L CB 1.076 43.090 42.059 -0.074 0.000 1.277 62 L HN 0.743 nan 8.230 nan 0.000 0.433 63 S N 2.602 118.283 115.700 -0.032 0.000 2.406 63 S HA -0.063 4.399 4.470 -0.013 0.000 0.228 63 S C 1.015 175.642 174.600 0.045 0.000 1.020 63 S CA 0.922 59.133 58.200 0.020 0.000 0.965 63 S CB -0.276 62.956 63.200 0.053 0.000 0.798 63 S HN 0.873 nan 8.310 nan 0.000 0.488 64 N N 1.513 120.234 118.700 0.036 0.000 3.178 64 N HA 0.191 4.923 4.740 -0.013 0.000 0.300 64 N C 0.739 176.070 175.510 -0.298 0.000 1.242 64 N CA 0.283 53.298 53.050 -0.059 0.000 1.192 64 N CB -0.321 38.148 38.487 -0.029 0.000 1.463 64 N HN 0.255 nan 8.380 nan 0.000 0.539 65 G N 0.660 109.418 108.800 -0.069 0.000 2.509 65 G HA2 -0.273 3.679 3.960 -0.013 0.000 0.218 65 G HA3 -0.273 3.679 3.960 -0.013 0.000 0.218 65 G C 1.233 176.135 174.900 0.003 0.000 1.124 65 G CA 0.460 45.556 45.100 -0.005 0.000 0.776 65 G HN 0.757 nan 8.290 nan 0.000 0.547 66 H N 0.229 119.336 119.070 0.060 0.000 2.422 66 H HA -0.047 4.501 4.556 -0.014 0.000 0.298 66 H C 2.082 177.233 175.328 -0.294 0.000 1.098 66 H CA 0.942 56.783 56.048 -0.346 0.000 1.315 66 H CB -0.850 28.540 29.762 -0.619 0.000 1.382 66 H HN 0.192 nan 8.280 nan 0.000 0.523 67 G N 1.502 110.030 108.800 -0.453 0.000 3.397 67 G HA2 0.038 3.990 3.960 -0.013 0.000 0.248 67 G HA3 0.038 3.990 3.960 -0.013 0.000 0.248 67 G C 1.333 176.108 174.900 -0.208 0.000 1.284 67 G CA 0.310 45.279 45.100 -0.219 0.000 1.570 67 G HN 0.593 nan 8.290 nan 0.000 0.587 68 S N 0.354 115.928 115.700 -0.209 0.000 2.402 68 S HA -0.191 4.271 4.470 -0.013 0.000 0.233 68 S C 2.227 176.479 174.600 -0.579 0.000 1.030 68 S CA 0.779 58.753 58.200 -0.377 0.000 1.003 68 S CB -0.213 62.875 63.200 -0.186 0.000 0.813 68 S HN 0.232 nan 8.310 nan 0.000 0.477 69 M N 0.889 120.268 119.600 -0.368 0.000 2.358 69 M HA 0.123 4.595 4.480 -0.013 0.000 0.264 69 M C 1.988 178.094 176.300 -0.324 0.000 1.064 69 M CA 0.657 55.726 55.300 -0.385 0.000 1.093 69 M CB -1.400 30.913 32.600 -0.478 0.000 1.401 69 M HN 0.447 nan 8.290 nan 0.000 0.440 70 L N 0.343 121.389 121.223 -0.295 0.000 1.994 70 L HA -0.137 4.195 4.340 -0.013 0.000 0.208 70 L C 2.175 178.820 176.870 -0.375 0.000 1.071 70 L CA 1.734 56.412 54.840 -0.271 0.000 0.745 70 L CB -0.770 41.204 42.059 -0.142 0.000 0.892 70 L HN 0.239 nan 8.230 nan 0.000 0.431 71 I N -1.807 118.533 120.570 -0.384 0.000 2.315 71 I HA -0.302 3.860 4.170 -0.013 0.000 0.248 71 I C 2.095 178.010 176.117 -0.337 0.000 1.117 71 I CA 0.971 62.026 61.300 -0.408 0.000 1.404 71 I CB -0.099 37.765 38.000 -0.227 0.000 1.071 71 I HN 0.285 nan 8.210 nan 0.000 0.419 72 Y N 0.759 120.930 120.300 -0.215 0.000 2.181 72 Y HA -0.187 4.354 4.550 -0.014 0.000 0.288 72 Y C 2.941 178.707 175.900 -0.223 0.000 1.146 72 Y CA 1.033 59.025 58.100 -0.182 0.000 1.164 72 Y CB -1.372 37.006 38.460 -0.137 0.000 0.982 72 Y HN 0.152 nan 8.280 nan 0.000 0.515 73 S N 0.234 115.834 115.700 -0.166 0.000 2.359 73 S HA -0.173 4.289 4.470 -0.013 0.000 0.224 73 S C 2.196 176.534 174.600 -0.438 0.000 1.035 73 S CA 1.380 59.410 58.200 -0.283 0.000 1.018 73 S CB -0.709 62.270 63.200 -0.368 0.000 0.876 73 S HN 0.346 nan 8.310 nan 0.000 0.448 74 L N 0.917 121.765 121.223 -0.625 0.000 2.017 74 L HA -0.101 4.231 4.340 -0.013 0.000 0.208 74 L C 2.277 178.818 176.870 -0.548 0.000 1.073 74 L CA 1.077 55.373 54.840 -0.906 0.000 0.745 74 L CB -0.573 40.502 42.059 -1.641 0.000 0.894 74 L HN 0.278 nan 8.230 nan 0.000 0.432 75 L N -1.224 119.767 121.223 -0.388 0.000 2.056 75 L HA -0.243 4.089 4.340 -0.013 0.000 0.207 75 L C 2.673 179.607 176.870 0.108 0.000 1.078 75 L CA 1.244 55.992 54.840 -0.154 0.000 0.749 75 L CB -0.698 41.237 42.059 -0.207 0.000 0.901 75 L HN 0.314 nan 8.230 nan 0.000 0.433 76 H N 0.368 119.419 119.070 -0.033 0.000 2.293 76 H HA -0.138 4.410 4.556 -0.014 0.000 0.300 76 H C 2.179 177.550 175.328 0.072 0.000 1.082 76 H CA 1.733 57.800 56.048 0.031 0.000 1.308 76 H CB -0.085 29.678 29.762 0.001 0.000 1.375 76 H HN 0.111 nan 8.280 nan 0.000 0.495 77 L N -0.039 121.094 121.223 -0.150 0.000 2.083 77 L HA -0.139 4.193 4.340 -0.013 0.000 0.209 77 L C 2.523 179.436 176.870 0.072 0.000 1.083 77 L CA 1.777 56.500 54.840 -0.195 0.000 0.752 77 L CB -0.609 40.947 42.059 -0.839 0.000 0.899 77 L HN 0.546 nan 8.230 nan 0.000 0.433 78 T N -3.698 110.957 114.554 0.168 0.000 3.113 78 T HA 0.186 4.528 4.350 -0.013 0.000 0.256 78 T C 1.351 176.206 174.700 0.258 0.000 1.131 78 T CA 0.539 62.875 62.100 0.394 0.000 1.074 78 T CB 0.367 69.657 68.868 0.703 0.000 0.944 78 T HN 0.498 nan 8.240 nan 0.000 0.516 79 G N -0.064 108.830 108.800 0.157 0.000 2.143 79 G HA2 -0.170 3.782 3.960 -0.013 0.000 0.175 79 G HA3 -0.170 3.782 3.960 -0.013 0.000 0.175 79 G C -0.169 174.737 174.900 0.011 0.000 1.004 79 G CA -0.434 44.676 45.100 0.016 0.000 0.671 79 G HN 0.538 nan 8.290 nan 0.000 0.512 80 Y N 0.591 120.917 120.300 0.042 0.000 2.385 80 Y HA 0.375 4.916 4.550 -0.014 0.000 0.346 80 Y C 1.148 177.060 175.900 0.019 0.000 1.270 80 Y CA 0.272 58.406 58.100 0.057 0.000 1.472 80 Y CB 0.453 38.978 38.460 0.109 0.000 1.354 80 Y HN 0.112 nan 8.280 nan 0.000 0.611 81 D N 1.981 122.485 120.400 0.173 0.000 2.597 81 D HA 0.139 4.771 4.640 -0.013 0.000 0.228 81 D C -1.410 174.940 176.300 0.083 0.000 1.120 81 D CA 0.234 54.285 54.000 0.085 0.000 1.083 81 D CB -0.847 39.983 40.800 0.049 0.000 1.116 81 D HN 0.312 nan 8.370 nan 0.000 0.487 82 L N 3.915 125.205 121.223 0.112 0.000 2.489 82 L HA 0.444 4.776 4.340 -0.013 0.000 0.257 82 L C -2.630 174.346 176.870 0.178 0.000 1.215 82 L CA -1.754 53.139 54.840 0.089 0.000 0.915 82 L CB 1.554 43.670 42.059 0.094 0.000 1.146 82 L HN 0.003 nan 8.230 nan 0.000 0.494 83 P HA 0.144 nan 4.420 nan 0.000 0.271 83 P C 0.922 178.224 177.300 0.004 0.000 1.233 83 P CA -0.326 62.848 63.100 0.124 0.000 0.789 83 P CB 0.652 32.373 31.700 0.034 0.000 0.951 84 M N 1.487 121.061 119.600 -0.044 0.000 2.144 84 M HA -0.214 4.258 4.480 -0.013 0.000 0.260 84 M C 1.730 177.916 176.300 -0.190 0.000 1.067 84 M CA 1.881 57.043 55.300 -0.230 0.000 1.095 84 M CB -1.069 31.482 32.600 -0.083 0.000 1.365 84 M HN 0.352 nan 8.290 nan 0.000 0.406 85 E N 0.114 120.238 120.200 -0.128 0.000 2.130 85 E HA -0.212 4.130 4.350 -0.013 0.000 0.196 85 E C 1.787 178.298 176.600 -0.148 0.000 0.998 85 E CA 1.713 58.026 56.400 -0.145 0.000 0.806 85 E CB -0.166 29.483 29.700 -0.086 0.000 0.738 85 E HN 0.540 nan 8.360 nan 0.000 0.459 86 E N -0.004 120.122 120.200 -0.123 0.000 2.106 86 E HA -0.138 4.204 4.350 -0.013 0.000 0.192 86 E C 2.241 178.762 176.600 -0.131 0.000 0.984 86 E CA 0.800 57.125 56.400 -0.125 0.000 0.806 86 E CB -0.227 29.389 29.700 -0.141 0.000 0.750 86 E HN 0.400 nan 8.360 nan 0.000 0.458 87 L N 0.611 121.746 121.223 -0.147 0.000 2.083 87 L HA -0.147 4.185 4.340 -0.013 0.000 0.209 87 L C 2.267 179.111 176.870 -0.043 0.000 1.083 87 L CA 1.186 55.984 54.840 -0.069 0.000 0.752 87 L CB -0.549 41.486 42.059 -0.040 0.000 0.899 87 L HN 0.065 nan 8.230 nan 0.000 0.433 88 K N 0.182 120.393 120.400 -0.316 0.000 2.362 88 K HA -0.071 4.241 4.320 -0.013 0.000 0.200 88 K C 0.783 177.286 176.600 -0.161 0.000 1.046 88 K CA 0.639 56.628 56.287 -0.497 0.000 0.952 88 K CB -0.039 32.055 32.500 -0.677 0.000 0.753 88 K HN 0.301 nan 8.250 nan 0.000 0.466 89 N N 0.439 119.094 118.700 -0.075 0.000 2.273 89 N HA 0.011 4.743 4.740 -0.013 0.000 0.231 89 N C -0.471 175.070 175.510 0.052 0.000 1.134 89 N CA -0.251 52.788 53.050 -0.018 0.000 0.856 89 N CB -0.004 38.460 38.487 -0.039 0.000 1.068 89 N HN 0.028 nan 8.380 nan 0.000 0.510 90 F N 2.497 122.413 119.950 -0.057 0.000 2.604 90 F HA -0.114 4.404 4.527 -0.014 0.000 0.393 90 F C 1.245 177.052 175.800 0.011 0.000 1.043 90 F CA 0.526 58.518 58.000 -0.014 0.000 1.227 90 F CB 0.203 39.236 39.000 0.055 0.000 1.016 90 F HN 0.206 nan 8.300 nan 0.000 0.556 91 R N 1.066 121.284 120.500 -0.470 0.000 3.951 91 R HA -0.203 4.129 4.340 -0.013 0.000 0.352 91 R C -0.549 175.632 176.300 -0.197 0.000 1.178 91 R CA 0.866 56.693 56.100 -0.454 0.000 0.949 91 R CB -1.335 28.563 30.300 -0.670 0.000 1.452 91 R HN 0.617 nan 8.270 nan 0.000 0.540 92 Q N 0.565 120.296 119.800 -0.114 0.000 2.226 92 Q HA 0.300 4.632 4.340 -0.013 0.000 0.256 92 Q C -0.076 175.881 176.000 -0.073 0.000 0.962 92 Q CA -1.150 54.606 55.803 -0.077 0.000 0.887 92 Q CB 1.083 29.794 28.738 -0.045 0.000 1.282 92 Q HN 0.081 nan 8.270 nan 0.000 0.449 93 L N 2.893 124.047 121.223 -0.115 0.000 2.601 93 L HA -0.088 4.244 4.340 -0.013 0.000 0.277 93 L C 0.237 177.017 176.870 -0.149 0.000 1.219 93 L CA 1.353 56.053 54.840 -0.234 0.000 0.915 93 L CB -0.756 41.098 42.059 -0.342 0.000 1.160 93 L HN 0.757 nan 8.230 nan 0.000 0.494 94 H N 0.563 119.651 119.070 0.031 0.000 3.211 94 H HA -0.188 4.360 4.556 -0.014 0.000 0.240 94 H C 0.779 176.213 175.328 0.177 0.000 1.148 94 H CA 0.570 56.655 56.048 0.062 0.000 1.160 94 H CB -1.504 28.265 29.762 0.012 0.000 1.232 94 H HN 0.794 nan 8.280 nan 0.000 0.321 95 S N 0.647 116.467 115.700 0.199 0.000 2.600 95 S HA 0.182 4.644 4.470 -0.013 0.000 0.265 95 S C 1.114 175.809 174.600 0.159 0.000 1.325 95 S CA -0.466 57.816 58.200 0.136 0.000 1.002 95 S CB 1.503 64.716 63.200 0.022 0.000 0.921 95 S HN 0.395 nan 8.310 nan 0.000 0.554 96 K N 0.492 120.848 120.400 -0.073 0.000 2.476 96 K HA 0.081 4.393 4.320 -0.013 0.000 0.196 96 K C 0.209 176.626 176.600 -0.304 0.000 1.025 96 K CA 0.389 56.511 56.287 -0.276 0.000 1.138 96 K CB -0.159 32.065 32.500 -0.461 0.000 0.860 96 K HN 0.833 nan 8.250 nan 0.000 0.515 97 T N -0.182 114.209 114.554 -0.271 0.000 3.514 97 T HA 0.230 4.572 4.350 -0.013 0.000 0.259 97 T C -2.613 172.080 174.700 -0.012 0.000 1.466 97 T CA -1.997 59.794 62.100 -0.516 0.000 1.562 97 T CB 0.614 69.207 68.868 -0.459 0.000 0.924 97 T HN -0.126 nan 8.240 nan 0.000 0.678 98 P HA 0.177 nan 4.420 nan 0.000 0.271 98 P C 1.412 178.817 177.300 0.175 0.000 1.233 98 P CA -0.028 63.146 63.100 0.124 0.000 0.789 98 P CB 0.572 32.377 31.700 0.176 0.000 0.951 99 G N 0.501 109.285 108.800 -0.027 0.000 2.475 99 G HA2 -0.166 3.786 3.960 -0.013 0.000 0.220 99 G HA3 -0.166 3.786 3.960 -0.013 0.000 0.220 99 G C 0.095 174.907 174.900 -0.147 0.000 1.125 99 G CA 1.025 46.039 45.100 -0.143 0.000 0.755 99 G HN 0.627 nan 8.290 nan 0.000 0.565 100 H N -0.439 118.722 119.070 0.152 0.000 2.622 100 H HA 0.469 5.018 4.556 -0.013 0.000 0.363 100 H C -2.482 172.940 175.328 0.156 0.000 1.151 100 H CA -1.874 54.247 56.048 0.121 0.000 1.184 100 H CB 2.058 31.869 29.762 0.082 0.000 1.643 100 H HN -0.053 nan 8.280 nan 0.000 0.531 101 P HA 0.107 nan 4.420 nan 0.000 0.271 101 P C -0.872 176.547 177.300 0.200 0.000 1.216 101 P CA -0.195 63.025 63.100 0.199 0.000 0.776 101 P CB 0.831 32.556 31.700 0.042 0.000 0.881 102 E N 0.764 121.097 120.200 0.222 0.000 2.224 102 E HA 0.331 4.673 4.350 -0.013 0.000 0.265 102 E C -0.844 175.856 176.600 0.167 0.000 0.878 102 E CA -1.156 55.352 56.400 0.180 0.000 0.759 102 E CB 2.329 32.143 29.700 0.190 0.000 1.164 102 E HN 0.131 nan 8.360 nan 0.000 0.414 103 V N 2.842 122.836 119.914 0.133 0.000 2.740 103 V HA 0.377 4.489 4.120 -0.013 0.000 0.303 103 V C 1.001 177.175 176.094 0.132 0.000 1.054 103 V CA 2.111 64.483 62.300 0.120 0.000 1.106 103 V CB 0.597 32.476 31.823 0.094 0.000 0.957 103 V HN 1.010 nan 8.190 nan 0.000 0.486 104 G N 4.698 113.578 108.800 0.134 0.000 2.491 104 G HA2 -0.274 3.678 3.960 -0.013 0.000 0.203 104 G HA3 -0.274 3.678 3.960 -0.013 0.000 0.203 104 G C 0.299 175.325 174.900 0.211 0.000 1.052 104 G CA 0.560 45.748 45.100 0.147 0.000 0.675 104 G HN 1.345 nan 8.290 nan 0.000 0.504 105 Y N 2.499 122.840 120.300 0.068 0.000 2.738 105 Y HA 0.585 5.126 4.550 -0.015 0.000 0.249 105 Y C -0.122 175.817 175.900 0.065 0.000 1.157 105 Y CA 0.609 58.745 58.100 0.059 0.000 1.189 105 Y CB 0.996 39.486 38.460 0.051 0.000 1.262 105 Y HN 0.119 nan 8.280 nan 0.000 0.554 106 T N 1.702 116.262 114.554 0.009 0.000 2.890 106 T HA 0.648 4.990 4.350 -0.013 0.000 0.295 106 T C -0.289 174.437 174.700 0.044 0.000 0.993 106 T CA -0.356 61.721 62.100 -0.039 0.000 0.979 106 T CB 1.188 70.088 68.868 0.054 0.000 0.967 106 T HN 0.326 nan 8.240 nan 0.000 0.441 107 A N 1.975 124.823 122.820 0.047 0.000 2.545 107 A HA 0.517 4.829 4.320 -0.013 0.000 0.253 107 A C 1.600 179.268 177.584 0.140 0.000 1.074 107 A CA 0.710 52.835 52.037 0.146 0.000 0.760 107 A CB -0.877 18.252 19.000 0.215 0.000 1.005 107 A HN 1.757 nan 8.150 nan 0.000 0.506 108 G N 1.346 110.240 108.800 0.157 0.000 2.217 108 G HA2 -0.191 3.761 3.960 -0.013 0.000 0.246 108 G HA3 -0.191 3.761 3.960 -0.013 0.000 0.246 108 G C 0.274 175.201 174.900 0.045 0.000 0.990 108 G CA 0.049 45.178 45.100 0.048 0.000 0.627 108 G HN 1.417 nan 8.290 nan 0.000 0.522 109 V N 2.013 121.976 119.914 0.080 0.000 2.470 109 V HA 0.280 4.392 4.120 -0.013 0.000 0.276 109 V C 1.369 177.524 176.094 0.102 0.000 1.040 109 V CA 0.271 62.638 62.300 0.110 0.000 1.008 109 V CB 1.496 33.404 31.823 0.141 0.000 0.990 109 V HN 0.335 nan 8.190 nan 0.000 0.477 110 E N 2.117 122.376 120.200 0.098 0.000 2.318 110 E HA 0.083 4.425 4.350 -0.013 0.000 0.193 110 E C 0.810 177.447 176.600 0.062 0.000 0.998 110 E CA 0.470 56.913 56.400 0.071 0.000 0.859 110 E CB 0.749 30.487 29.700 0.063 0.000 0.812 110 E HN 0.717 nan 8.360 nan 0.000 0.492 111 T N -0.675 113.918 114.554 0.065 0.000 2.786 111 T HA 0.230 4.572 4.350 -0.013 0.000 0.316 111 T C -1.365 173.378 174.700 0.071 0.000 1.503 111 T CA -0.544 61.593 62.100 0.060 0.000 1.019 111 T CB 1.713 70.606 68.868 0.041 0.000 1.415 111 T HN -0.238 nan 8.240 nan 0.000 0.496 112 T N 3.207 117.806 114.554 0.075 0.000 2.744 112 T HA 0.615 4.957 4.350 -0.013 0.000 0.291 112 T C 0.428 175.170 174.700 0.070 0.000 0.957 112 T CA -0.433 61.719 62.100 0.087 0.000 1.002 112 T CB 0.814 69.738 68.868 0.093 0.000 0.919 112 T HN 0.850 nan 8.240 nan 0.000 0.468 113 T N -0.114 114.486 114.554 0.077 0.000 2.768 113 T HA 0.864 5.206 4.350 -0.013 0.000 0.268 113 T C 1.071 175.808 174.700 0.060 0.000 0.969 113 T CA 0.005 62.141 62.100 0.060 0.000 1.008 113 T CB 1.607 70.502 68.868 0.044 0.000 1.371 113 T HN 0.771 nan 8.240 nan 0.000 0.587 114 G N 0.369 109.186 108.800 0.029 0.000 2.799 114 G HA2 -0.052 3.900 3.960 -0.013 0.000 0.200 114 G HA3 -0.052 3.900 3.960 -0.013 0.000 0.200 114 G C -2.503 172.323 174.900 -0.124 0.000 1.206 114 G CA -0.398 44.583 45.100 -0.199 0.000 0.827 114 G HN 0.871 nan 8.290 nan 0.000 0.511 115 P HA 0.559 nan 4.420 nan 0.000 0.280 115 P C 0.424 177.751 177.300 0.045 0.000 1.300 115 P CA -0.330 62.778 63.100 0.013 0.000 0.785 115 P CB 0.623 32.355 31.700 0.053 0.000 0.874 116 L N 2.317 123.573 121.223 0.056 0.000 2.514 116 L HA 0.133 4.465 4.340 -0.013 0.000 0.280 116 L C 1.822 178.712 176.870 0.034 0.000 1.223 116 L CA 1.178 56.057 54.840 0.065 0.000 0.864 116 L CB -0.433 41.668 42.059 0.070 0.000 1.118 116 L HN 0.785 nan 8.230 nan 0.000 0.494 117 G N 1.113 109.922 108.800 0.016 0.000 2.320 117 G HA2 -0.314 3.639 3.960 -0.013 0.000 0.242 117 G HA3 -0.314 3.639 3.960 -0.013 0.000 0.242 117 G C 0.914 175.756 174.900 -0.098 0.000 1.033 117 G CA 0.470 45.546 45.100 -0.040 0.000 0.620 117 G HN 0.652 nan 8.290 nan 0.000 0.517 118 Q N 0.363 120.113 119.800 -0.083 0.000 2.245 118 Q HA 0.165 4.497 4.340 -0.013 0.000 0.201 118 Q C 2.779 178.750 176.000 -0.050 0.000 0.955 118 Q CA 1.099 56.837 55.803 -0.108 0.000 0.870 118 Q CB -0.212 28.497 28.738 -0.049 0.000 0.945 118 Q HN 0.602 nan 8.270 nan 0.000 0.461 119 G N 1.401 110.192 108.800 -0.016 0.000 2.433 119 G HA2 -0.272 3.680 3.960 -0.013 0.000 0.216 119 G HA3 -0.272 3.680 3.960 -0.013 0.000 0.216 119 G C 1.374 176.276 174.900 0.002 0.000 1.186 119 G CA 0.642 45.738 45.100 -0.007 0.000 0.779 119 G HN 0.308 nan 8.290 nan 0.000 0.543 120 I N 1.822 122.405 120.570 0.021 0.000 2.264 120 I HA -0.050 4.112 4.170 -0.013 0.000 0.248 120 I C 2.946 179.087 176.117 0.040 0.000 1.111 120 I CA 1.299 62.636 61.300 0.062 0.000 1.382 120 I CB -0.462 37.597 38.000 0.098 0.000 1.060 120 I HN 0.194 nan 8.210 nan 0.000 0.418 121 A N 0.341 123.148 122.820 -0.022 0.000 1.883 121 A HA -0.284 4.028 4.320 -0.013 0.000 0.217 121 A C 2.140 179.714 177.584 -0.017 0.000 1.186 121 A CA 2.382 54.389 52.037 -0.049 0.000 0.624 121 A CB -1.325 17.590 19.000 -0.142 0.000 0.822 121 A HN 0.666 nan 8.150 nan 0.000 0.444 122 N N 0.167 118.860 118.700 -0.011 0.000 2.120 122 N HA -0.086 4.646 4.740 -0.013 0.000 0.188 122 N C 1.963 177.488 175.510 0.024 0.000 1.024 122 N CA 1.058 54.114 53.050 0.011 0.000 0.852 122 N CB -0.284 38.212 38.487 0.016 0.000 1.003 122 N HN 0.512 nan 8.380 nan 0.000 0.424 123 A N 0.999 123.836 122.820 0.028 0.000 1.902 123 A HA -0.104 4.208 4.320 -0.013 0.000 0.217 123 A C 2.435 180.040 177.584 0.035 0.000 1.181 123 A CA 1.171 53.233 52.037 0.042 0.000 0.623 123 A CB -0.846 18.191 19.000 0.061 0.000 0.818 123 A HN 0.105 nan 8.150 nan 0.000 0.443 124 V N 0.006 119.945 119.914 0.041 0.000 2.332 124 V HA -0.229 3.883 4.120 -0.013 0.000 0.248 124 V C 2.813 178.891 176.094 -0.026 0.000 1.055 124 V CA 2.056 64.365 62.300 0.016 0.000 1.038 124 V CB -1.487 30.358 31.823 0.037 0.000 0.651 124 V HN 0.630 nan 8.190 nan 0.000 0.450 125 G N -0.668 108.125 108.800 -0.011 0.000 2.440 125 G HA2 -0.285 3.667 3.960 -0.013 0.000 0.218 125 G HA3 -0.285 3.667 3.960 -0.013 0.000 0.218 125 G C 1.607 176.479 174.900 -0.047 0.000 1.154 125 G CA 1.207 46.291 45.100 -0.027 0.000 0.767 125 G HN 0.463 nan 8.290 nan 0.000 0.552 126 M N 0.766 120.371 119.600 0.008 0.000 2.175 126 M HA 0.069 4.541 4.480 -0.013 0.000 0.264 126 M C 2.987 179.253 176.300 -0.057 0.000 1.063 126 M CA 1.279 56.612 55.300 0.054 0.000 1.119 126 M CB -0.141 32.557 32.600 0.163 0.000 1.377 126 M HN 0.300 nan 8.290 nan 0.000 0.415 127 A N 0.624 123.401 122.820 -0.071 0.000 1.898 127 A HA -0.084 4.228 4.320 -0.013 0.000 0.216 127 A C 2.091 179.560 177.584 -0.192 0.000 1.181 127 A CA 1.266 53.221 52.037 -0.135 0.000 0.620 127 A CB -0.797 18.126 19.000 -0.128 0.000 0.819 127 A HN 0.433 nan 8.150 nan 0.000 0.442 128 I N -0.159 120.299 120.570 -0.186 0.000 2.226 128 I HA -0.296 3.866 4.170 -0.013 0.000 0.245 128 I C 2.973 178.914 176.117 -0.293 0.000 1.100 128 I CA 1.025 62.187 61.300 -0.229 0.000 1.374 128 I CB -0.315 37.548 38.000 -0.229 0.000 1.057 128 I HN 0.367 nan 8.210 nan 0.000 0.413 129 A N 0.219 122.837 122.820 -0.337 0.000 1.877 129 A HA -0.261 4.051 4.320 -0.013 0.000 0.216 129 A C 2.371 179.791 177.584 -0.272 0.000 1.186 129 A CA 1.837 53.645 52.037 -0.382 0.000 0.620 129 A CB -0.608 18.119 19.000 -0.455 0.000 0.822 129 A HN 0.425 nan 8.150 nan 0.000 0.443 130 E N 0.239 120.187 120.200 -0.421 0.000 2.051 130 E HA -0.240 4.102 4.350 -0.013 0.000 0.192 130 E C 2.074 178.566 176.600 -0.181 0.000 0.991 130 E CA 1.714 57.930 56.400 -0.307 0.000 0.799 130 E CB -0.254 29.177 29.700 -0.448 0.000 0.748 130 E HN 0.658 nan 8.360 nan 0.000 0.449 131 K N -0.362 119.926 120.400 -0.188 0.000 2.057 131 K HA -0.106 4.206 4.320 -0.013 0.000 0.207 131 K C 2.077 178.647 176.600 -0.050 0.000 1.049 131 K CA 1.847 58.050 56.287 -0.139 0.000 0.931 131 K CB -0.066 32.337 32.500 -0.161 0.000 0.714 131 K HN 0.057 nan 8.250 nan 0.000 0.440 132 T N 1.619 116.157 114.554 -0.027 0.000 2.812 132 T HA -0.110 4.232 4.350 -0.013 0.000 0.264 132 T C 1.700 176.576 174.700 0.294 0.000 1.042 132 T CA 0.913 63.059 62.100 0.076 0.000 1.140 132 T CB -0.147 68.683 68.868 -0.064 0.000 0.870 132 T HN 0.094 nan 8.240 nan 0.000 0.445 133 L N 1.310 122.788 121.223 0.426 0.000 2.046 133 L HA 0.075 4.407 4.340 -0.013 0.000 0.208 133 L C 2.647 179.743 176.870 0.376 0.000 1.077 133 L CA 1.586 56.712 54.840 0.477 0.000 0.747 133 L CB -0.938 41.358 42.059 0.395 0.000 0.896 133 L HN 0.242 nan 8.230 nan 0.000 0.432 134 A N -0.841 122.094 122.820 0.191 0.000 1.902 134 A HA -0.137 4.175 4.320 -0.013 0.000 0.217 134 A C 2.440 180.082 177.584 0.097 0.000 1.181 134 A CA 1.761 53.864 52.037 0.110 0.000 0.623 134 A CB -1.088 17.910 19.000 -0.003 0.000 0.818 134 A HN 0.491 nan 8.150 nan 0.000 0.443 135 A N -0.840 122.025 122.820 0.074 0.000 1.933 135 A HA -0.205 4.107 4.320 -0.013 0.000 0.218 135 A C 2.134 179.741 177.584 0.038 0.000 1.175 135 A CA 1.671 53.732 52.037 0.040 0.000 0.628 135 A CB -0.511 18.501 19.000 0.020 0.000 0.814 135 A HN 0.669 nan 8.150 nan 0.000 0.444 136 Q N -2.083 117.765 119.800 0.081 0.000 2.083 136 Q HA -0.052 4.280 4.340 -0.013 0.000 0.198 136 Q C 1.518 177.391 176.000 -0.211 0.000 0.969 136 Q CA 1.494 57.260 55.803 -0.062 0.000 0.838 136 Q CB -0.118 28.593 28.738 -0.045 0.000 0.900 136 Q HN 0.754 nan 8.270 nan 0.000 0.436 137 F N 0.032 120.028 119.950 0.076 0.000 2.559 137 F HA 0.117 4.630 4.527 -0.024 0.000 0.286 137 F C 0.610 176.383 175.800 -0.044 0.000 1.108 137 F CA -0.470 57.566 58.000 0.060 0.000 1.436 137 F CB 0.253 39.308 39.000 0.092 0.000 1.130 137 F HN -0.105 nan 8.300 nan 0.000 0.584 138 N N 1.846 120.600 118.700 0.091 0.000 2.441 138 N HA 0.137 4.869 4.740 -0.013 0.000 0.251 138 N C -0.099 175.410 175.510 -0.001 0.000 1.242 138 N CA 0.362 53.417 53.050 0.009 0.000 0.898 138 N CB 0.418 38.912 38.487 0.012 0.000 1.100 138 N HN -0.030 nan 8.380 nan 0.000 0.443 139 R N 0.981 121.495 120.500 0.023 0.000 2.808 139 R HA 0.479 4.811 4.340 -0.013 0.000 0.272 139 R C -2.650 173.727 176.300 0.130 0.000 0.995 139 R CA -1.934 54.160 56.100 -0.011 0.000 0.917 139 R CB 0.580 30.670 30.300 -0.349 0.000 1.217 139 R HN 0.318 nan 8.270 nan 0.000 0.471 140 P HA 0.028 nan 4.420 nan 0.000 0.260 140 P C 0.633 178.026 177.300 0.154 0.000 1.185 140 P CA 1.196 64.373 63.100 0.128 0.000 0.763 140 P CB 0.209 31.982 31.700 0.122 0.000 0.776 141 G N 2.472 111.286 108.800 0.023 0.000 2.179 141 G HA2 -0.218 3.734 3.960 -0.013 0.000 0.260 141 G HA3 -0.218 3.734 3.960 -0.013 0.000 0.260 141 G C 0.136 174.807 174.900 -0.381 0.000 0.977 141 G CA -0.286 44.718 45.100 -0.160 0.000 0.641 141 G HN 0.724 nan 8.290 nan 0.000 0.533 142 H N 0.444 119.560 119.070 0.076 0.000 2.538 142 H HA 0.281 4.829 4.556 -0.014 0.000 0.239 142 H C -1.220 174.091 175.328 -0.029 0.000 1.401 142 H CA -0.662 55.427 56.048 0.067 0.000 1.499 142 H CB 0.750 30.659 29.762 0.245 0.000 1.624 142 H HN 0.138 nan 8.280 nan 0.000 0.524 143 D N 2.736 123.162 120.400 0.043 0.000 2.563 143 D HA 0.085 4.717 4.640 -0.013 0.000 0.222 143 D C 1.843 178.160 176.300 0.029 0.000 1.145 143 D CA -0.234 53.778 54.000 0.021 0.000 1.001 143 D CB 0.161 40.980 40.800 0.033 0.000 1.049 143 D HN 0.610 nan 8.370 nan 0.000 0.515 144 I N -2.052 118.465 120.570 -0.088 0.000 2.830 144 I HA 0.002 4.164 4.170 -0.013 0.000 0.263 144 I C 0.177 176.430 176.117 0.227 0.000 1.230 144 I CA 0.397 61.679 61.300 -0.030 0.000 1.480 144 I CB 0.164 37.871 38.000 -0.488 0.000 1.095 144 I HN -0.183 nan 8.210 nan 0.000 0.455 145 V N 2.683 122.651 119.914 0.090 0.000 2.357 145 V HA 0.482 4.594 4.120 -0.013 0.000 0.284 145 V C -1.091 175.027 176.094 0.040 0.000 1.018 145 V CA -0.292 62.088 62.300 0.133 0.000 0.841 145 V CB 1.074 32.978 31.823 0.135 0.000 0.991 145 V HN 0.300 nan 8.190 nan 0.000 0.437 146 D N 4.078 124.499 120.400 0.034 0.000 2.491 146 D HA 0.247 4.879 4.640 -0.013 0.000 0.232 146 D C -0.880 175.407 176.300 -0.021 0.000 1.334 146 D CA -0.252 53.717 54.000 -0.051 0.000 0.909 146 D CB 0.550 41.376 40.800 0.043 0.000 1.513 146 D HN 0.828 nan 8.370 nan 0.000 0.514 147 H N 0.337 119.336 119.070 -0.120 0.000 3.016 147 H HA 0.407 4.953 4.556 -0.017 0.000 0.362 147 H C -1.262 173.950 175.328 -0.193 0.000 1.233 147 H CA -0.706 55.280 56.048 -0.104 0.000 1.124 147 H CB 0.571 30.241 29.762 -0.154 0.000 1.850 147 H HN 0.048 nan 8.280 nan 0.000 0.549 148 Y N 0.360 120.653 120.300 -0.011 0.000 2.374 148 Y HA 0.365 4.908 4.550 -0.011 0.000 0.322 148 Y C 0.574 176.348 175.900 -0.210 0.000 1.275 148 Y CA -0.048 57.908 58.100 -0.239 0.000 1.307 148 Y CB 1.922 40.066 38.460 -0.527 0.000 1.282 148 Y HN 0.579 nan 8.280 nan 0.000 0.509 149 T N 2.232 116.698 114.554 -0.146 0.000 2.815 149 T HA 0.390 4.732 4.350 -0.013 0.000 0.289 149 T C -1.548 173.088 174.700 -0.107 0.000 1.000 149 T CA -0.656 61.410 62.100 -0.058 0.000 0.958 149 T CB -0.152 68.712 68.868 -0.006 0.000 0.944 149 T HN 0.237 nan 8.240 nan 0.000 0.442 150 Y N 1.557 121.981 120.300 0.207 0.000 2.352 150 Y HA 0.680 5.224 4.550 -0.011 0.000 0.339 150 Y C 0.282 176.268 175.900 0.144 0.000 0.992 150 Y CA -1.045 57.229 58.100 0.290 0.000 1.100 150 Y CB 1.578 40.275 38.460 0.395 0.000 1.192 150 Y HN 0.769 nan 8.280 nan 0.000 0.458 151 A N 3.486 126.552 122.820 0.411 0.000 2.371 151 A HA 0.810 5.122 4.320 -0.013 0.000 0.311 151 A C -1.753 176.147 177.584 0.526 0.000 1.068 151 A CA -0.566 51.592 52.037 0.202 0.000 0.744 151 A CB 0.786 19.897 19.000 0.185 0.000 1.239 151 A HN 0.480 nan 8.150 nan 0.000 0.435 152 F N 2.073 122.035 119.950 0.021 0.000 2.421 152 F HA 0.738 5.257 4.527 -0.013 0.000 0.337 152 F C 0.524 176.377 175.800 0.089 0.000 1.105 152 F CA -1.103 56.969 58.000 0.121 0.000 1.049 152 F CB 1.678 40.722 39.000 0.073 0.000 1.139 152 F HN 0.713 nan 8.300 nan 0.000 0.479 153 M N 1.458 121.242 119.600 0.306 0.000 2.578 153 M HA 0.874 5.346 4.480 -0.013 0.000 0.276 153 M C -0.863 175.605 176.300 0.281 0.000 1.245 153 M CA -0.679 54.758 55.300 0.229 0.000 0.871 153 M CB 2.200 34.907 32.600 0.179 0.000 1.722 153 M HN 0.546 nan 8.290 nan 0.000 0.473 154 G N 0.029 108.994 108.800 0.276 0.000 3.209 154 G HA2 0.425 4.377 3.960 -0.013 0.000 0.236 154 G HA3 0.425 4.377 3.960 -0.013 0.000 0.236 154 G C -0.351 174.787 174.900 0.396 0.000 1.329 154 G CA -0.381 44.936 45.100 0.360 0.000 1.015 154 G HN 0.813 nan 8.290 nan 0.000 0.571 155 D N -0.094 120.556 120.400 0.416 0.000 2.144 155 D HA -0.103 4.529 4.640 -0.013 0.000 0.199 155 D C 2.433 178.752 176.300 0.032 0.000 0.984 155 D CA 1.538 55.740 54.000 0.337 0.000 0.834 155 D CB -0.293 40.731 40.800 0.374 0.000 0.955 155 D HN 0.408 nan 8.370 nan 0.000 0.465 156 G N 0.802 109.651 108.800 0.082 0.000 2.421 156 G HA2 -0.277 3.675 3.960 -0.013 0.000 0.216 156 G HA3 -0.277 3.675 3.960 -0.013 0.000 0.216 156 G C 1.965 176.861 174.900 -0.005 0.000 1.171 156 G CA 0.960 46.069 45.100 0.015 0.000 0.775 156 G HN 0.310 nan 8.290 nan 0.000 0.543 157 C N 0.627 119.959 119.300 0.053 0.000 2.429 157 C HA 0.007 4.459 4.460 -0.013 0.000 0.277 157 C C 2.998 177.984 174.990 -0.006 0.000 1.262 157 C CA 0.867 59.906 59.018 0.035 0.000 1.733 157 C CB -0.673 27.110 27.740 0.072 0.000 2.010 157 C HN 0.376 nan 8.230 nan 0.000 0.483 158 M N -0.120 119.457 119.600 -0.038 0.000 2.159 158 M HA -0.118 4.354 4.480 -0.013 0.000 0.263 158 M C 2.105 178.330 176.300 -0.125 0.000 1.063 158 M CA 1.680 56.948 55.300 -0.053 0.000 1.110 158 M CB -1.002 31.562 32.600 -0.060 0.000 1.374 158 M HN 0.443 nan 8.290 nan 0.000 0.411 159 M N -0.517 118.887 119.600 -0.327 0.000 2.254 159 M HA -0.077 4.395 4.480 -0.013 0.000 0.265 159 M C 0.457 176.687 176.300 -0.118 0.000 1.066 159 M CA 0.667 55.755 55.300 -0.353 0.000 1.123 159 M CB -0.116 32.209 32.600 -0.458 0.000 1.388 159 M HN 0.039 nan 8.290 nan 0.000 0.425 160 E N 0.516 120.676 120.200 -0.067 0.000 2.414 160 E HA -0.018 4.324 4.350 -0.013 0.000 0.263 160 E C 1.085 177.701 176.600 0.027 0.000 1.000 160 E CA 0.239 56.637 56.400 -0.004 0.000 0.914 160 E CB 0.777 30.484 29.700 0.011 0.000 0.948 160 E HN 0.335 nan 8.360 nan 0.000 0.444 161 G N 3.695 112.531 108.800 0.061 0.000 2.450 161 G HA2 -0.264 3.688 3.960 -0.013 0.000 0.220 161 G HA3 -0.264 3.688 3.960 -0.013 0.000 0.220 161 G C 1.449 176.405 174.900 0.093 0.000 1.130 161 G CA 0.291 45.449 45.100 0.096 0.000 0.760 161 G HN 0.622 nan 8.290 nan 0.000 0.557 162 I N 1.621 122.205 120.570 0.023 0.000 2.335 162 I HA -0.232 3.930 4.170 -0.013 0.000 0.251 162 I C 3.061 179.109 176.117 -0.115 0.000 1.129 162 I CA 1.701 62.914 61.300 -0.145 0.000 1.402 162 I CB -0.052 37.613 38.000 -0.558 0.000 1.069 162 I HN 0.351 nan 8.210 nan 0.000 0.424 163 S N -0.449 115.223 115.700 -0.047 0.000 2.382 163 S HA -0.340 4.122 4.470 -0.013 0.000 0.228 163 S C 2.046 176.602 174.600 -0.074 0.000 1.027 163 S CA 1.592 59.778 58.200 -0.023 0.000 0.991 163 S CB -0.798 62.432 63.200 0.051 0.000 0.823 163 S HN 0.708 nan 8.310 nan 0.000 0.469 164 H N 1.838 120.842 119.070 -0.109 0.000 2.321 164 H HA 0.003 4.553 4.556 -0.010 0.000 0.300 164 H C 2.024 177.175 175.328 -0.295 0.000 1.087 164 H CA 2.236 58.179 56.048 -0.174 0.000 1.319 164 H CB -0.510 29.240 29.762 -0.020 0.000 1.379 164 H HN 0.595 nan 8.280 nan 0.000 0.501 165 E N -0.326 119.695 120.200 -0.299 0.000 2.038 165 E HA -0.166 4.176 4.350 -0.013 0.000 0.195 165 E C 2.438 178.852 176.600 -0.311 0.000 1.000 165 E CA 1.948 58.154 56.400 -0.322 0.000 0.803 165 E CB -0.106 29.524 29.700 -0.117 0.000 0.750 165 E HN 0.544 nan 8.360 nan 0.000 0.448 166 V N -1.193 118.586 119.914 -0.225 0.000 2.591 166 V HA -0.111 4.001 4.120 -0.013 0.000 0.249 166 V C 2.175 178.201 176.094 -0.114 0.000 1.053 166 V CA 1.117 63.337 62.300 -0.133 0.000 1.068 166 V CB -0.553 31.227 31.823 -0.072 0.000 0.689 166 V HN 0.282 nan 8.190 nan 0.000 0.462 167 C N 0.472 119.629 119.300 -0.239 0.000 2.467 167 C HA 0.004 4.456 4.460 -0.013 0.000 0.279 167 C C 3.238 177.967 174.990 -0.434 0.000 1.347 167 C CA 1.280 60.190 59.018 -0.180 0.000 1.748 167 C CB -0.713 26.703 27.740 -0.539 0.000 1.977 167 C HN 0.740 nan 8.230 nan 0.000 0.501 168 S N 0.981 116.076 115.700 -1.008 0.000 2.353 168 S HA -0.185 4.277 4.470 -0.013 0.000 0.222 168 S C 1.828 176.264 174.600 -0.274 0.000 1.035 168 S CA 1.723 59.443 58.200 -0.802 0.000 1.025 168 S CB -0.420 62.272 63.200 -0.847 0.000 0.902 168 S HN 0.463 nan 8.310 nan 0.000 0.440 169 L N 1.960 123.047 121.223 -0.228 0.000 2.046 169 L HA 0.100 4.432 4.340 -0.013 0.000 0.208 169 L C 2.560 179.385 176.870 -0.076 0.000 1.077 169 L CA 2.126 56.893 54.840 -0.120 0.000 0.747 169 L CB -1.353 40.649 42.059 -0.095 0.000 0.896 169 L HN 0.373 nan 8.230 nan 0.000 0.432 170 A N -0.673 122.132 122.820 -0.024 0.000 1.940 170 A HA -0.120 4.192 4.320 -0.013 0.000 0.219 170 A C 2.337 179.858 177.584 -0.104 0.000 1.176 170 A CA 1.651 53.664 52.037 -0.039 0.000 0.631 170 A CB -1.516 17.532 19.000 0.080 0.000 0.814 170 A HN 0.537 nan 8.150 nan 0.000 0.446 171 G N -1.196 107.629 108.800 0.042 0.000 2.404 171 G HA2 -0.139 3.813 3.960 -0.013 0.000 0.215 171 G HA3 -0.139 3.813 3.960 -0.013 0.000 0.215 171 G C 1.573 176.461 174.900 -0.019 0.000 1.174 171 G CA 1.576 46.696 45.100 0.033 0.000 0.780 171 G HN 0.420 nan 8.290 nan 0.000 0.537 172 T N 1.406 115.946 114.554 -0.022 0.000 2.720 172 T HA -0.054 4.288 4.350 -0.013 0.000 0.268 172 T C 2.180 176.841 174.700 -0.066 0.000 1.037 172 T CA 0.844 62.921 62.100 -0.039 0.000 1.144 172 T CB -0.179 68.660 68.868 -0.049 0.000 0.864 172 T HN 0.138 nan 8.240 nan 0.000 0.444 173 L N 0.180 121.347 121.223 -0.093 0.000 2.591 173 L HA 0.198 4.530 4.340 -0.013 0.000 0.228 173 L C 0.472 177.265 176.870 -0.128 0.000 1.133 173 L CA 0.140 54.912 54.840 -0.113 0.000 0.880 173 L CB -0.342 41.635 42.059 -0.135 0.000 1.033 173 L HN 0.231 nan 8.230 nan 0.000 0.450 174 K N 1.137 121.456 120.400 -0.135 0.000 3.257 174 K HA -0.173 4.139 4.320 -0.013 0.000 0.270 174 K C -0.303 176.185 176.600 -0.187 0.000 0.984 174 K CA 0.279 56.477 56.287 -0.148 0.000 0.739 174 K CB -1.668 30.770 32.500 -0.102 0.000 1.351 174 K HN 0.328 nan 8.250 nan 0.000 0.463 175 L N 0.696 121.771 121.223 -0.247 0.000 2.384 175 L HA 0.062 4.394 4.340 -0.013 0.000 0.258 175 L C 1.855 178.557 176.870 -0.281 0.000 1.266 175 L CA 0.132 54.816 54.840 -0.259 0.000 1.162 175 L CB 0.166 42.066 42.059 -0.265 0.000 1.375 175 L HN 0.483 nan 8.230 nan 0.000 0.420 176 G N 1.326 109.989 108.800 -0.228 0.000 2.559 176 G HA2 -0.151 3.801 3.960 -0.013 0.000 0.216 176 G HA3 -0.151 3.801 3.960 -0.013 0.000 0.216 176 G C 1.363 176.144 174.900 -0.198 0.000 1.126 176 G CA 0.173 45.155 45.100 -0.195 0.000 0.778 176 G HN 0.508 nan 8.290 nan 0.000 0.543 177 K N -0.729 119.499 120.400 -0.287 0.000 2.372 177 K HA 0.245 4.557 4.320 -0.013 0.000 0.200 177 K C -0.251 176.223 176.600 -0.209 0.000 1.022 177 K CA -0.530 55.508 56.287 -0.415 0.000 1.125 177 K CB 0.530 32.598 32.500 -0.719 0.000 0.855 177 K HN 0.203 nan 8.250 nan 0.000 0.524 178 L N 1.786 122.896 121.223 -0.189 0.000 2.265 178 L HA 0.381 4.713 4.340 -0.013 0.000 0.288 178 L C -0.873 175.945 176.870 -0.087 0.000 1.058 178 L CA -0.189 54.566 54.840 -0.141 0.000 0.809 178 L CB 0.530 42.468 42.059 -0.202 0.000 1.179 178 L HN -0.003 nan 8.230 nan 0.000 0.429 179 I N 5.583 126.166 120.570 0.021 0.000 2.468 179 I HA 0.584 4.746 4.170 -0.013 0.000 0.285 179 I C -0.405 175.855 176.117 0.238 0.000 1.039 179 I CA -0.510 60.843 61.300 0.089 0.000 1.074 179 I CB 1.768 39.825 38.000 0.095 0.000 1.228 179 I HN 0.762 nan 8.210 nan 0.000 0.436 180 A N 6.366 129.333 122.820 0.246 0.000 2.324 180 A HA 0.855 5.167 4.320 -0.013 0.000 0.330 180 A C -1.189 176.488 177.584 0.156 0.000 1.165 180 A CA -0.292 51.956 52.037 0.350 0.000 0.813 180 A CB 0.585 19.833 19.000 0.413 0.000 1.197 180 A HN 0.498 nan 8.150 nan 0.000 0.484 181 F N 1.688 121.810 119.950 0.286 0.000 2.426 181 F HA 0.374 4.892 4.527 -0.015 0.000 0.348 181 F C -0.338 175.523 175.800 0.102 0.000 1.124 181 F CA -0.500 57.585 58.000 0.142 0.000 1.008 181 F CB 1.286 40.304 39.000 0.030 0.000 1.139 181 F HN 0.577 nan 8.300 nan 0.000 0.452 182 Y N 3.324 123.654 120.300 0.050 0.000 2.341 182 Y HA 0.301 4.844 4.550 -0.012 0.000 0.340 182 Y C -0.224 175.658 175.900 -0.029 0.000 0.997 182 Y CA -1.866 56.223 58.100 -0.018 0.000 1.149 182 Y CB 0.629 39.021 38.460 -0.113 0.000 1.171 182 Y HN 0.542 nan 8.280 nan 0.000 0.494 183 D N 4.796 125.154 120.400 -0.070 0.000 2.470 183 D HA 0.032 4.664 4.640 -0.013 0.000 0.226 183 D C -0.948 175.064 176.300 -0.481 0.000 1.196 183 D CA 0.115 53.976 54.000 -0.232 0.000 0.979 183 D CB -0.184 40.571 40.800 -0.075 0.000 1.059 183 D HN 0.491 nan 8.370 nan 0.000 0.515 184 D N 2.566 122.548 120.400 -0.698 0.000 2.522 184 D HA 0.021 4.653 4.640 -0.013 0.000 0.218 184 D C 0.489 176.612 176.300 -0.295 0.000 1.149 184 D CA -0.321 53.214 54.000 -0.774 0.000 0.981 184 D CB -0.190 40.146 40.800 -0.773 0.000 1.041 184 D HN 0.365 nan 8.370 nan 0.000 0.518 185 N N 1.597 120.209 118.700 -0.146 0.000 2.184 185 N HA 0.117 4.849 4.740 -0.013 0.000 0.206 185 N C 1.401 176.928 175.510 0.027 0.000 1.151 185 N CA 0.288 53.323 53.050 -0.025 0.000 0.878 185 N CB 0.334 38.838 38.487 0.028 0.000 1.014 185 N HN 0.264 nan 8.380 nan 0.000 0.512 186 G N 0.028 108.847 108.800 0.033 0.000 2.168 186 G HA2 -0.217 3.735 3.960 -0.013 0.000 0.263 186 G HA3 -0.217 3.735 3.960 -0.013 0.000 0.263 186 G C -0.450 174.494 174.900 0.072 0.000 0.977 186 G CA 0.596 45.731 45.100 0.058 0.000 0.659 186 G HN 0.333 nan 8.290 nan 0.000 0.533 187 I N 1.060 121.683 120.570 0.088 0.000 2.498 187 I HA 0.653 4.815 4.170 -0.013 0.000 0.290 187 I C 0.519 176.727 176.117 0.152 0.000 1.032 187 I CA -0.289 61.060 61.300 0.080 0.000 1.073 187 I CB 1.707 39.739 38.000 0.052 0.000 1.251 187 I HN 0.405 nan 8.210 nan 0.000 0.426 188 S N 5.356 121.179 115.700 0.204 0.000 2.851 188 S HA 0.618 5.080 4.470 -0.013 0.000 0.317 188 S C 0.996 175.613 174.600 0.028 0.000 1.144 188 S CA -0.721 57.557 58.200 0.131 0.000 0.862 188 S CB 1.464 64.826 63.200 0.269 0.000 1.259 188 S HN 0.435 nan 8.310 nan 0.000 0.564 189 I N 1.055 121.531 120.570 -0.156 0.000 2.286 189 I HA -0.129 4.034 4.170 -0.013 0.000 0.248 189 I C 1.322 177.338 176.117 -0.169 0.000 1.115 189 I CA 1.421 62.601 61.300 -0.200 0.000 1.392 189 I CB -0.381 37.468 38.000 -0.251 0.000 1.065 189 I HN 0.603 nan 8.210 nan 0.000 0.418 190 D N 0.534 120.799 120.400 -0.226 0.000 2.348 190 D HA 0.106 4.738 4.640 -0.013 0.000 0.216 190 D C 1.004 177.300 176.300 -0.006 0.000 0.970 190 D CA 1.077 54.876 54.000 -0.335 0.000 0.889 190 D CB 0.257 40.493 40.800 -0.940 0.000 0.912 190 D HN 0.517 nan 8.370 nan 0.000 0.524 191 G N -0.963 107.986 108.800 0.249 0.000 2.225 191 G HA2 -0.137 3.815 3.960 -0.013 0.000 0.203 191 G HA3 -0.137 3.815 3.960 -0.013 0.000 0.203 191 G C -0.997 174.055 174.900 0.253 0.000 1.335 191 G CA -0.912 44.337 45.100 0.249 0.000 1.183 191 G HN 0.120 nan 8.290 nan 0.000 0.488 192 H N 1.743 120.905 119.070 0.153 0.000 2.975 192 H HA 0.221 4.769 4.556 -0.013 0.000 0.303 192 H C 2.080 177.124 175.328 -0.472 0.000 1.023 192 H CA 0.810 56.821 56.048 -0.062 0.000 1.473 192 H CB 1.510 31.234 29.762 -0.065 0.000 1.498 192 H HN 0.793 nan 8.280 nan 0.000 0.549 193 V N 1.736 121.454 119.914 -0.325 0.000 2.913 193 V HA -0.176 3.936 4.120 -0.013 0.000 0.260 193 V C 1.499 177.018 176.094 -0.958 0.000 1.098 193 V CA 1.319 63.157 62.300 -0.769 0.000 1.121 193 V CB -0.276 31.497 31.823 -0.084 0.000 0.714 193 V HN 0.498 nan 8.190 nan 0.000 0.487 194 E N 2.113 121.994 120.200 -0.533 0.000 2.219 194 E HA -0.062 4.280 4.350 -0.013 0.000 0.198 194 E C 2.220 178.598 176.600 -0.370 0.000 0.998 194 E CA 1.483 57.664 56.400 -0.365 0.000 0.818 194 E CB -0.928 28.642 29.700 -0.217 0.000 0.741 194 E HN 0.728 nan 8.360 nan 0.000 0.477 195 G N -0.439 108.023 108.800 -0.562 0.000 2.509 195 G HA2 -0.161 3.791 3.960 -0.013 0.000 0.218 195 G HA3 -0.161 3.791 3.960 -0.013 0.000 0.218 195 G C 0.741 175.716 174.900 0.125 0.000 1.124 195 G CA 0.923 45.923 45.100 -0.166 0.000 0.776 195 G HN 0.533 nan 8.290 nan 0.000 0.547 196 W N -3.904 117.458 121.300 0.102 0.000 1.526 196 W HA 0.616 5.267 4.660 -0.014 0.000 0.218 196 W C -0.638 176.010 176.519 0.215 0.000 0.797 196 W CA -1.249 56.164 57.345 0.113 0.000 0.997 196 W CB 0.354 29.857 29.460 0.072 0.000 0.926 196 W HN -0.095 nan 8.180 nan 0.000 0.483 197 F N 3.740 123.592 119.950 -0.163 0.000 2.831 197 F HA 0.517 5.037 4.527 -0.013 0.000 0.346 197 F C 0.153 175.895 175.800 -0.096 0.000 1.224 197 F CA -1.222 56.743 58.000 -0.058 0.000 1.048 197 F CB 1.121 40.115 39.000 -0.010 0.000 1.339 197 F HN 0.054 nan 8.300 nan 0.000 0.514 198 T N -0.287 114.160 114.554 -0.179 0.000 3.209 198 T HA 0.225 4.567 4.350 -0.013 0.000 0.295 198 T C -0.230 174.308 174.700 -0.269 0.000 0.977 198 T CA -0.346 61.602 62.100 -0.254 0.000 0.922 198 T CB -0.338 68.458 68.868 -0.120 0.000 1.152 198 T HN 0.250 nan 8.240 nan 0.000 0.527 199 D N 3.194 123.393 120.400 -0.335 0.000 2.506 199 D HA 0.099 4.731 4.640 -0.013 0.000 0.234 199 D C 0.059 176.226 176.300 -0.221 0.000 1.143 199 D CA 0.447 54.327 54.000 -0.199 0.000 0.871 199 D CB 0.435 41.184 40.800 -0.085 0.000 1.190 199 D HN 0.241 nan 8.370 nan 0.000 0.459 200 D N 1.327 121.651 120.400 -0.127 0.000 2.455 200 D HA 0.018 4.650 4.640 -0.013 0.000 0.234 200 D C 0.603 176.858 176.300 -0.076 0.000 1.224 200 D CA -0.033 53.906 54.000 -0.101 0.000 0.999 200 D CB 0.168 40.923 40.800 -0.076 0.000 1.072 200 D HN 0.122 nan 8.370 nan 0.000 0.514 201 T N 1.901 116.409 114.554 -0.077 0.000 2.833 201 T HA -0.123 4.219 4.350 -0.013 0.000 0.269 201 T C 1.837 176.539 174.700 0.004 0.000 1.054 201 T CA 1.365 63.450 62.100 -0.026 0.000 1.135 201 T CB 0.074 68.891 68.868 -0.085 0.000 0.869 201 T HN 0.519 nan 8.240 nan 0.000 0.466 202 A N 1.514 124.318 122.820 -0.026 0.000 1.877 202 A HA -0.064 4.248 4.320 -0.013 0.000 0.216 202 A C 2.308 179.888 177.584 -0.006 0.000 1.186 202 A CA 1.802 53.827 52.037 -0.019 0.000 0.620 202 A CB -0.727 18.255 19.000 -0.030 0.000 0.822 202 A HN 0.510 nan 8.150 nan 0.000 0.443 203 M N -0.854 118.725 119.600 -0.034 0.000 2.159 203 M HA -0.169 4.303 4.480 -0.013 0.000 0.263 203 M C 2.337 178.573 176.300 -0.106 0.000 1.063 203 M CA 2.011 57.279 55.300 -0.054 0.000 1.110 203 M CB -0.206 32.359 32.600 -0.058 0.000 1.374 203 M HN 0.516 nan 8.290 nan 0.000 0.411 204 R N -0.323 120.099 120.500 -0.129 0.000 2.083 204 R HA -0.185 4.147 4.340 -0.013 0.000 0.237 204 R C 1.795 177.726 176.300 -0.615 0.000 1.137 204 R CA 2.089 57.991 56.100 -0.329 0.000 0.951 204 R CB -0.482 29.687 30.300 -0.218 0.000 0.851 204 R HN 0.368 nan 8.270 nan 0.000 0.434 205 F N 1.282 120.949 119.950 -0.472 0.000 2.259 205 F HA -0.026 4.493 4.527 -0.014 0.000 0.298 205 F C 2.212 177.933 175.800 -0.131 0.000 1.088 205 F CA 1.248 58.998 58.000 -0.417 0.000 1.358 205 F CB -0.145 38.639 39.000 -0.360 0.000 1.040 205 F HN 0.143 nan 8.300 nan 0.000 0.505 206 E N -0.014 120.218 120.200 0.053 0.000 2.110 206 E HA -0.209 4.133 4.350 -0.013 0.000 0.193 206 E C 2.395 179.009 176.600 0.023 0.000 0.988 206 E CA 1.011 57.451 56.400 0.066 0.000 0.804 206 E CB -0.325 29.389 29.700 0.023 0.000 0.745 206 E HN 0.359 nan 8.360 nan 0.000 0.458 207 A N 0.589 123.344 122.820 -0.107 0.000 2.024 207 A HA -0.180 4.132 4.320 -0.013 0.000 0.220 207 A C 1.418 179.020 177.584 0.031 0.000 1.164 207 A CA 1.176 53.153 52.037 -0.099 0.000 0.643 207 A CB -0.525 18.349 19.000 -0.211 0.000 0.806 207 A HN 0.262 nan 8.150 nan 0.000 0.451 208 Y N -0.882 119.423 120.300 0.009 0.000 2.529 208 Y HA 0.324 4.870 4.550 -0.008 0.000 0.290 208 Y C 1.892 177.928 175.900 0.226 0.000 1.177 208 Y CA -0.245 57.892 58.100 0.062 0.000 1.305 208 Y CB -0.727 37.688 38.460 -0.076 0.000 1.047 208 Y HN 0.452 nan 8.280 nan 0.000 0.522 209 G N -1.546 107.462 108.800 0.346 0.000 2.137 209 G HA2 -0.264 3.688 3.960 -0.013 0.000 0.237 209 G HA3 -0.264 3.688 3.960 -0.013 0.000 0.237 209 G C -0.337 174.767 174.900 0.341 0.000 1.002 209 G CA -0.323 44.938 45.100 0.269 0.000 0.702 209 G HN 0.196 nan 8.290 nan 0.000 0.515 210 W N 0.124 121.517 121.300 0.156 0.000 2.375 210 W HA 0.612 5.262 4.660 -0.017 0.000 0.336 210 W C 0.783 177.396 176.519 0.158 0.000 1.160 210 W CA -0.933 56.526 57.345 0.190 0.000 1.266 210 W CB 0.525 30.174 29.460 0.317 0.000 1.195 210 W HN 0.179 nan 8.180 nan 0.000 0.599 211 H N 2.398 121.626 119.070 0.262 0.000 2.782 211 H HA 0.352 4.899 4.556 -0.014 0.000 0.285 211 H C -0.941 174.505 175.328 0.196 0.000 1.093 211 H CA 0.024 56.171 56.048 0.166 0.000 1.410 211 H CB 0.467 30.274 29.762 0.075 0.000 1.439 211 H HN 0.095 nan 8.280 nan 0.000 0.469 212 V N 7.997 127.808 119.914 -0.172 0.000 2.483 212 V HA 0.265 4.377 4.120 -0.013 0.000 0.295 212 V C 0.500 176.483 176.094 -0.186 0.000 1.035 212 V CA -0.716 61.538 62.300 -0.078 0.000 0.896 212 V CB 1.716 33.529 31.823 -0.017 0.000 0.986 212 V HN 0.624 nan 8.190 nan 0.000 0.447 213 I N 5.007 125.537 120.570 -0.067 0.000 2.354 213 I HA 0.491 4.653 4.170 -0.013 0.000 0.286 213 I C 0.316 176.411 176.117 -0.036 0.000 1.007 213 I CA -0.444 60.831 61.300 -0.043 0.000 1.167 213 I CB 1.234 39.242 38.000 0.013 0.000 1.320 213 I HN 0.531 nan 8.210 nan 0.000 0.458 214 R N 4.480 124.957 120.500 -0.038 0.000 2.528 214 R HA 0.269 4.601 4.340 -0.013 0.000 0.271 214 R C -0.228 176.055 176.300 -0.028 0.000 1.056 214 R CA -0.558 55.523 56.100 -0.033 0.000 1.117 214 R CB 0.505 30.785 30.300 -0.034 0.000 1.085 214 R HN 0.565 nan 8.270 nan 0.000 0.530 215 D N 0.712 121.092 120.400 -0.033 0.000 2.772 215 D HA -0.189 4.443 4.640 -0.013 0.000 0.233 215 D C -0.548 175.734 176.300 -0.030 0.000 1.143 215 D CA 0.962 54.942 54.000 -0.033 0.000 0.700 215 D CB -1.129 39.657 40.800 -0.024 0.000 1.076 215 D HN 0.400 nan 8.370 nan 0.000 0.430 216 I N 0.860 121.407 120.570 -0.038 0.000 2.471 216 I HA -0.003 4.159 4.170 -0.013 0.000 0.286 216 I C 1.100 177.183 176.117 -0.056 0.000 1.079 216 I CA -0.158 61.122 61.300 -0.034 0.000 1.398 216 I CB 0.617 38.600 38.000 -0.028 0.000 1.403 216 I HN -0.171 nan 8.210 nan 0.000 0.530 217 D N 5.922 126.298 120.400 -0.041 0.000 2.348 217 D HA 0.055 4.687 4.640 -0.013 0.000 0.259 217 D C 1.228 177.459 176.300 -0.115 0.000 1.296 217 D CA -0.020 53.948 54.000 -0.054 0.000 0.931 217 D CB 1.222 42.017 40.800 -0.008 0.000 1.067 217 D HN 0.713 nan 8.370 nan 0.000 0.503 218 G N 2.967 111.624 108.800 -0.239 0.000 2.708 218 G HA2 -0.184 3.768 3.960 -0.013 0.000 0.210 218 G HA3 -0.184 3.768 3.960 -0.013 0.000 0.210 218 G C 0.900 175.463 174.900 -0.563 0.000 1.141 218 G CA 0.309 45.177 45.100 -0.387 0.000 0.788 218 G HN 0.604 nan 8.290 nan 0.000 0.531 219 H N -0.635 118.348 119.070 -0.145 0.000 2.528 219 H HA 0.191 4.740 4.556 -0.013 0.000 0.282 219 H C -0.706 174.542 175.328 -0.134 0.000 1.097 219 H CA -0.384 55.517 56.048 -0.244 0.000 1.121 219 H CB 0.905 30.454 29.762 -0.355 0.000 1.590 219 H HN 0.353 nan 8.280 nan 0.000 0.553 220 D N 0.133 120.525 120.400 -0.013 0.000 2.469 220 D HA 0.406 5.038 4.640 -0.013 0.000 0.251 220 D C 1.129 177.434 176.300 0.008 0.000 1.173 220 D CA -0.358 53.649 54.000 0.011 0.000 0.882 220 D CB 1.159 41.973 40.800 0.023 0.000 1.129 220 D HN 0.082 nan 8.370 nan 0.000 0.549 221 A N 3.685 126.513 122.820 0.013 0.000 1.917 221 A HA -0.106 4.206 4.320 -0.013 0.000 0.219 221 A C 2.180 179.792 177.584 0.048 0.000 1.182 221 A CA 2.059 54.112 52.037 0.027 0.000 0.633 221 A CB -0.824 18.186 19.000 0.016 0.000 0.819 221 A HN 0.669 nan 8.150 nan 0.000 0.448 222 A N -0.749 122.095 122.820 0.040 0.000 1.902 222 A HA -0.084 4.228 4.320 -0.013 0.000 0.217 222 A C 2.461 180.079 177.584 0.056 0.000 1.181 222 A CA 2.149 54.215 52.037 0.048 0.000 0.623 222 A CB -0.905 18.117 19.000 0.036 0.000 0.818 222 A HN 0.473 nan 8.150 nan 0.000 0.443 223 S N -0.157 115.569 115.700 0.042 0.000 2.356 223 S HA -0.125 4.337 4.470 -0.013 0.000 0.223 223 S C 1.808 176.438 174.600 0.050 0.000 1.032 223 S CA 1.551 59.773 58.200 0.037 0.000 1.005 223 S CB -0.519 62.693 63.200 0.019 0.000 0.867 223 S HN 0.545 nan 8.310 nan 0.000 0.449 224 I N 1.450 122.056 120.570 0.058 0.000 2.179 224 I HA -0.219 3.943 4.170 -0.013 0.000 0.242 224 I C 2.501 178.696 176.117 0.130 0.000 1.088 224 I CA 1.281 62.639 61.300 0.096 0.000 1.357 224 I CB -0.287 37.774 38.000 0.101 0.000 1.051 224 I HN 0.220 nan 8.210 nan 0.000 0.409 225 K N 1.140 121.636 120.400 0.160 0.000 2.057 225 K HA -0.180 4.132 4.320 -0.013 0.000 0.207 225 K C 2.360 179.068 176.600 0.182 0.000 1.049 225 K CA 1.400 57.840 56.287 0.255 0.000 0.931 225 K CB -0.039 32.608 32.500 0.245 0.000 0.714 225 K HN 0.159 nan 8.250 nan 0.000 0.440 226 R N -0.125 120.444 120.500 0.116 0.000 2.105 226 R HA -0.138 4.194 4.340 -0.013 0.000 0.239 226 R C 2.361 178.691 176.300 0.050 0.000 1.135 226 R CA 1.338 57.488 56.100 0.083 0.000 0.967 226 R CB -0.337 30.000 30.300 0.062 0.000 0.861 226 R HN 0.278 nan 8.270 nan 0.000 0.442 227 A N 0.532 123.372 122.820 0.033 0.000 1.873 227 A HA -0.102 4.210 4.320 -0.013 0.000 0.215 227 A C 2.345 179.892 177.584 -0.063 0.000 1.186 227 A CA 1.315 53.352 52.037 -0.000 0.000 0.616 227 A CB -0.519 18.480 19.000 -0.002 0.000 0.823 227 A HN 0.114 nan 8.150 nan 0.000 0.442 228 V N 0.295 120.138 119.914 -0.119 0.000 2.332 228 V HA -0.307 3.805 4.120 -0.013 0.000 0.248 228 V C 2.394 178.308 176.094 -0.300 0.000 1.055 228 V CA 2.397 64.502 62.300 -0.325 0.000 1.038 228 V CB -0.993 30.410 31.823 -0.701 0.000 0.651 228 V HN 0.648 nan 8.190 nan 0.000 0.450 229 E N -0.172 119.948 120.200 -0.133 0.000 2.085 229 E HA -0.282 4.060 4.350 -0.013 0.000 0.194 229 E C 2.278 178.871 176.600 -0.011 0.000 0.994 229 E CA 1.480 57.885 56.400 0.009 0.000 0.801 229 E CB -0.153 29.624 29.700 0.129 0.000 0.743 229 E HN 0.727 nan 8.360 nan 0.000 0.453 230 E N 0.674 120.866 120.200 -0.013 0.000 2.051 230 E HA -0.220 4.122 4.350 -0.013 0.000 0.192 230 E C 2.078 178.632 176.600 -0.077 0.000 0.991 230 E CA 1.063 57.453 56.400 -0.018 0.000 0.799 230 E CB -0.091 29.632 29.700 0.039 0.000 0.748 230 E HN 0.226 nan 8.360 nan 0.000 0.449 231 A N 1.152 123.933 122.820 -0.066 0.000 1.940 231 A HA -0.187 4.125 4.320 -0.013 0.000 0.219 231 A C 2.162 179.712 177.584 -0.056 0.000 1.176 231 A CA 1.586 53.580 52.037 -0.071 0.000 0.631 231 A CB -0.481 18.477 19.000 -0.070 0.000 0.814 231 A HN 0.202 nan 8.150 nan 0.000 0.446 232 R N -0.690 119.778 120.500 -0.054 0.000 2.148 232 R HA 0.027 4.359 4.340 -0.013 0.000 0.227 232 R C 2.273 178.603 176.300 0.050 0.000 1.103 232 R CA 0.948 57.061 56.100 0.022 0.000 0.983 232 R CB -0.338 29.933 30.300 -0.048 0.000 0.874 232 R HN 0.503 nan 8.270 nan 0.000 0.451 233 A N 0.739 123.554 122.820 -0.008 0.000 2.066 233 A HA 0.016 4.328 4.320 -0.013 0.000 0.218 233 A C 0.889 178.435 177.584 -0.064 0.000 1.157 233 A CA 0.472 52.497 52.037 -0.019 0.000 0.670 233 A CB 0.304 19.289 19.000 -0.024 0.000 0.804 233 A HN 0.031 nan 8.150 nan 0.000 0.453 234 V N 1.751 121.590 119.914 -0.126 0.000 2.353 234 V HA 0.166 4.278 4.120 -0.013 0.000 0.264 234 V C 1.461 177.497 176.094 -0.096 0.000 1.049 234 V CA 0.636 62.834 62.300 -0.170 0.000 0.896 234 V CB 0.504 32.108 31.823 -0.366 0.000 1.025 234 V HN 0.603 nan 8.190 nan 0.000 0.475 235 T N -0.891 113.620 114.554 -0.073 0.000 3.086 235 T HA 0.016 4.358 4.350 -0.013 0.000 0.250 235 T C 0.758 175.404 174.700 -0.090 0.000 1.074 235 T CA 0.535 62.594 62.100 -0.069 0.000 0.988 235 T CB -0.080 68.757 68.868 -0.051 0.000 0.988 235 T HN 0.684 nan 8.240 nan 0.000 0.530 236 D N -0.014 120.336 120.400 -0.084 0.000 2.469 236 D HA 0.248 4.880 4.640 -0.013 0.000 0.215 236 D C 0.101 176.346 176.300 -0.091 0.000 1.154 236 D CA -0.396 53.556 54.000 -0.081 0.000 0.832 236 D CB 0.224 40.992 40.800 -0.053 0.000 1.008 236 D HN 0.342 nan 8.370 nan 0.000 0.506 237 K N 0.673 121.006 120.400 -0.112 0.000 2.527 237 K HA 0.413 4.725 4.320 -0.013 0.000 0.260 237 K C -2.982 173.470 176.600 -0.247 0.000 0.937 237 K CA -1.898 54.301 56.287 -0.147 0.000 0.826 237 K CB 2.995 35.480 32.500 -0.025 0.000 1.359 237 K HN -0.163 nan 8.250 nan 0.000 0.434 238 P HA 0.080 nan 4.420 nan 0.000 0.272 238 P C -0.844 176.202 177.300 -0.424 0.000 1.223 238 P CA -0.284 62.367 63.100 -0.748 0.000 0.784 238 P CB 0.899 31.583 31.700 -1.694 0.000 0.923 239 S N 1.322 116.946 115.700 -0.126 0.000 2.482 239 S HA 0.514 4.976 4.470 -0.013 0.000 0.303 239 S C -0.463 174.392 174.600 0.426 0.000 1.091 239 S CA -0.509 57.820 58.200 0.215 0.000 1.057 239 S CB 0.786 64.053 63.200 0.112 0.000 1.031 239 S HN 0.380 nan 8.310 nan 0.000 0.485 240 L N 3.787 125.270 121.223 0.434 0.000 2.325 240 L HA 0.606 4.938 4.340 -0.013 0.000 0.281 240 L C -1.732 175.145 176.870 0.011 0.000 1.004 240 L CA -0.545 54.399 54.840 0.173 0.000 0.823 240 L CB 0.882 42.872 42.059 -0.115 0.000 1.236 240 L HN 0.473 nan 8.230 nan 0.000 0.415 241 L N 6.152 127.330 121.223 -0.075 0.000 2.262 241 L HA 0.459 4.791 4.340 -0.013 0.000 0.288 241 L C -0.072 176.786 176.870 -0.021 0.000 1.035 241 L CA 0.181 54.961 54.840 -0.100 0.000 0.820 241 L CB 1.180 43.069 42.059 -0.283 0.000 1.204 241 L HN 0.612 nan 8.230 nan 0.000 0.424 242 M N 3.422 123.014 119.600 -0.013 0.000 2.201 242 M HA 0.218 4.690 4.480 -0.013 0.000 0.345 242 M C -0.863 175.392 176.300 -0.074 0.000 1.352 242 M CA 0.004 55.303 55.300 -0.001 0.000 1.218 242 M CB 0.256 32.869 32.600 0.022 0.000 1.512 242 M HN 0.509 nan 8.290 nan 0.000 0.447 243 C N 3.853 123.079 119.300 -0.124 0.000 2.239 243 C HA 0.304 4.756 4.460 -0.013 0.000 0.325 243 C C 0.488 175.341 174.990 -0.227 0.000 1.231 243 C CA -1.182 57.748 59.018 -0.147 0.000 1.652 243 C CB -0.464 27.205 27.740 -0.119 0.000 2.284 243 C HN 0.704 nan 8.230 nan 0.000 0.499 244 K N 2.841 123.130 120.400 -0.185 0.000 2.349 244 K HA 0.406 4.718 4.320 -0.013 0.000 0.289 244 K C 0.608 177.084 176.600 -0.206 0.000 1.064 244 K CA 0.335 56.522 56.287 -0.168 0.000 0.947 244 K CB 0.400 32.843 32.500 -0.096 0.000 1.007 244 K HN 0.843 nan 8.250 nan 0.000 0.478 245 T N -0.591 113.858 114.554 -0.175 0.000 2.916 245 T HA 0.594 4.936 4.350 -0.013 0.000 0.292 245 T C -0.123 174.673 174.700 0.160 0.000 1.064 245 T CA -0.997 61.014 62.100 -0.149 0.000 1.011 245 T CB 0.939 69.683 68.868 -0.208 0.000 1.152 245 T HN 0.323 nan 8.240 nan 0.000 0.510 246 I N 1.810 122.689 120.570 0.516 0.000 2.330 246 I HA 0.373 4.535 4.170 -0.013 0.000 0.289 246 I C 0.361 176.641 176.117 0.271 0.000 1.001 246 I CA -1.026 60.475 61.300 0.335 0.000 1.193 246 I CB 1.261 39.455 38.000 0.323 0.000 1.345 246 I HN 0.650 nan 8.210 nan 0.000 0.461 247 I N 6.390 127.059 120.570 0.165 0.000 2.775 247 I HA 0.060 4.222 4.170 -0.013 0.000 0.290 247 I C 1.386 177.576 176.117 0.122 0.000 1.203 247 I CA 1.101 62.486 61.300 0.142 0.000 1.433 247 I CB 0.508 38.586 38.000 0.130 0.000 1.354 247 I HN 0.950 nan 8.210 nan 0.000 0.579 248 G N 5.849 114.718 108.800 0.115 0.000 2.179 248 G HA2 -0.353 3.599 3.960 -0.013 0.000 0.257 248 G HA3 -0.353 3.599 3.960 -0.013 0.000 0.257 248 G C 0.283 175.223 174.900 0.067 0.000 1.010 248 G CA 0.132 45.274 45.100 0.069 0.000 0.736 248 G HN 0.719 nan 8.290 nan 0.000 0.513 249 F N 0.878 120.802 119.950 -0.043 0.000 2.579 249 F HA 0.300 4.820 4.527 -0.013 0.000 0.397 249 F C 1.581 177.311 175.800 -0.116 0.000 1.027 249 F CA 2.139 60.062 58.000 -0.128 0.000 1.217 249 F CB 0.218 39.064 39.000 -0.257 0.000 0.986 249 F HN 1.082 nan 8.300 nan 0.000 0.551 250 G N 2.936 111.403 108.800 -0.555 0.000 2.391 250 G HA2 -0.229 3.723 3.960 -0.013 0.000 0.204 250 G HA3 -0.229 3.723 3.960 -0.013 0.000 0.204 250 G C 0.317 175.087 174.900 -0.216 0.000 1.012 250 G CA -0.033 44.869 45.100 -0.330 0.000 0.651 250 G HN 1.038 nan 8.290 nan 0.000 0.494 251 S N 2.946 118.548 115.700 -0.164 0.000 2.422 251 S HA 0.539 5.001 4.470 -0.013 0.000 0.283 251 S C -0.084 174.442 174.600 -0.123 0.000 1.163 251 S CA -0.548 57.585 58.200 -0.111 0.000 1.054 251 S CB 1.443 64.599 63.200 -0.074 0.000 0.967 251 S HN 0.204 nan 8.310 nan 0.000 0.499 252 P HA -0.091 nan 4.420 nan 0.000 0.216 252 P C 0.575 177.831 177.300 -0.073 0.000 1.150 252 P CA 1.286 64.328 63.100 -0.097 0.000 0.837 252 P CB 0.103 31.758 31.700 -0.075 0.000 0.786 253 N N -0.867 117.796 118.700 -0.060 0.000 2.322 253 N HA 0.048 4.780 4.740 -0.013 0.000 0.181 253 N C 1.359 176.839 175.510 -0.050 0.000 1.088 253 N CA 0.512 53.533 53.050 -0.047 0.000 0.885 253 N CB 0.355 38.818 38.487 -0.039 0.000 1.013 253 N HN 0.302 nan 8.380 nan 0.000 0.472 254 K N 0.273 120.640 120.400 -0.056 0.000 2.412 254 K HA 0.307 4.619 4.320 -0.013 0.000 0.202 254 K C 0.325 176.897 176.600 -0.046 0.000 1.102 254 K CA -0.191 56.061 56.287 -0.057 0.000 1.027 254 K CB 1.228 33.695 32.500 -0.055 0.000 0.931 254 K HN -0.046 nan 8.250 nan 0.000 0.557 255 A N 1.048 123.837 122.820 -0.052 0.000 2.511 255 A HA 0.385 4.697 4.320 -0.013 0.000 0.242 255 A C 1.190 178.768 177.584 -0.010 0.000 1.069 255 A CA 1.026 53.041 52.037 -0.037 0.000 0.763 255 A CB -0.485 18.456 19.000 -0.097 0.000 1.001 255 A HN 0.533 nan 8.150 nan 0.000 0.498 256 G N 1.303 110.118 108.800 0.025 0.000 2.148 256 G HA2 -0.115 3.837 3.960 -0.013 0.000 0.254 256 G HA3 -0.115 3.837 3.960 -0.013 0.000 0.254 256 G C 0.451 175.357 174.900 0.010 0.000 0.981 256 G CA 1.304 46.429 45.100 0.041 0.000 0.670 256 G HN 2.368 nan 8.290 nan 0.000 0.528 257 T N -3.263 111.280 114.554 -0.019 0.000 2.908 257 T HA 0.621 4.963 4.350 -0.013 0.000 0.290 257 T C 1.373 176.033 174.700 -0.067 0.000 1.034 257 T CA 0.269 62.324 62.100 -0.076 0.000 1.010 257 T CB 1.382 70.172 68.868 -0.129 0.000 1.068 257 T HN 0.695 nan 8.240 nan 0.000 0.481 258 H N 0.996 120.057 119.070 -0.015 0.000 2.489 258 H HA -0.055 4.493 4.556 -0.014 0.000 0.293 258 H C 0.556 175.933 175.328 0.081 0.000 1.066 258 H CA 1.648 57.717 56.048 0.036 0.000 1.305 258 H CB -0.453 29.320 29.762 0.018 0.000 1.386 258 H HN 0.720 nan 8.280 nan 0.000 0.551 259 D N 1.224 121.342 120.400 -0.469 0.000 2.218 259 D HA -0.148 4.484 4.640 -0.013 0.000 0.204 259 D C 2.238 178.505 176.300 -0.055 0.000 0.976 259 D CA 1.893 55.745 54.000 -0.246 0.000 0.853 259 D CB 0.011 40.642 40.800 -0.282 0.000 0.939 259 D HN 0.562 nan 8.370 nan 0.000 0.481 260 S N -0.887 114.802 115.700 -0.019 0.000 2.562 260 S HA -0.085 4.377 4.470 -0.013 0.000 0.221 260 S C 1.722 176.369 174.600 0.078 0.000 0.975 260 S CA 0.215 58.427 58.200 0.020 0.000 0.918 260 S CB -0.250 62.962 63.200 0.020 0.000 0.772 260 S HN 0.389 nan 8.310 nan 0.000 0.531 261 H N 2.148 121.256 119.070 0.064 0.000 2.293 261 H HA 0.146 4.694 4.556 -0.014 0.000 0.300 261 H C 1.563 176.984 175.328 0.155 0.000 1.082 261 H CA 2.020 58.147 56.048 0.132 0.000 1.308 261 H CB -0.585 29.256 29.762 0.132 0.000 1.375 261 H HN 0.469 nan 8.280 nan 0.000 0.495 262 G N -1.552 107.146 108.800 -0.170 0.000 4.530 262 G HA2 0.577 4.529 3.960 -0.013 0.000 0.284 262 G HA3 0.577 4.529 3.960 -0.013 0.000 0.284 262 G C -0.771 173.936 174.900 -0.322 0.000 1.008 262 G CA 0.263 45.093 45.100 -0.449 0.000 0.770 262 G HN 0.654 nan 8.290 nan 0.000 0.424 263 A N 0.168 122.888 122.820 -0.167 0.000 2.556 263 A HA 0.912 5.224 4.320 -0.013 0.000 0.294 263 A C -3.101 174.442 177.584 -0.068 0.000 1.091 263 A CA -1.439 50.535 52.037 -0.105 0.000 0.704 263 A CB 1.480 20.453 19.000 -0.045 0.000 1.300 263 A HN -0.008 nan 8.150 nan 0.000 0.406 264 P HA 0.118 nan 4.420 nan 0.000 0.265 264 P C 0.781 178.067 177.300 -0.023 0.000 1.187 264 P CA 0.023 63.112 63.100 -0.018 0.000 0.766 264 P CB 0.402 32.102 31.700 -0.000 0.000 0.820 265 L N 1.452 122.659 121.223 -0.026 0.000 2.141 265 L HA 0.045 4.377 4.340 -0.013 0.000 0.209 265 L C 1.199 178.055 176.870 -0.023 0.000 1.094 265 L CA 1.312 56.135 54.840 -0.029 0.000 0.763 265 L CB -1.005 41.032 42.059 -0.035 0.000 0.908 265 L HN 0.739 nan 8.230 nan 0.000 0.437 266 G N -0.461 108.329 108.800 -0.016 0.000 2.697 266 G HA2 -0.172 3.780 3.960 -0.013 0.000 0.686 266 G HA3 -0.172 3.780 3.960 -0.013 0.000 0.686 266 G C -0.195 174.699 174.900 -0.010 0.000 1.179 266 G CA -0.300 44.794 45.100 -0.010 0.000 0.765 266 G HN 0.056 nan 8.290 nan 0.000 0.649 267 D N 0.609 121.007 120.400 -0.004 0.000 2.117 267 D HA -0.109 4.523 4.640 -0.013 0.000 0.197 267 D C 2.749 179.045 176.300 -0.005 0.000 0.987 267 D CA 1.939 55.938 54.000 -0.002 0.000 0.829 267 D CB -0.185 40.619 40.800 0.006 0.000 0.961 267 D HN 0.828 nan 8.370 nan 0.000 0.460 268 A N 1.113 123.929 122.820 -0.006 0.000 1.877 268 A HA -0.218 4.094 4.320 -0.013 0.000 0.216 268 A C 2.155 179.730 177.584 -0.014 0.000 1.186 268 A CA 1.814 53.846 52.037 -0.009 0.000 0.620 268 A CB -0.480 18.515 19.000 -0.009 0.000 0.822 268 A HN 0.102 nan 8.150 nan 0.000 0.443 269 E N 0.196 120.385 120.200 -0.018 0.000 2.106 269 E HA -0.108 4.234 4.350 -0.013 0.000 0.192 269 E C 1.699 178.282 176.600 -0.028 0.000 0.984 269 E CA 1.182 57.566 56.400 -0.026 0.000 0.806 269 E CB -0.391 29.291 29.700 -0.030 0.000 0.750 269 E HN 0.640 nan 8.360 nan 0.000 0.458 270 I N 0.245 120.800 120.570 -0.025 0.000 2.208 270 I HA -0.306 3.856 4.170 -0.013 0.000 0.245 270 I C 2.313 178.423 176.117 -0.012 0.000 1.097 270 I CA 1.071 62.355 61.300 -0.027 0.000 1.363 270 I CB -0.408 37.574 38.000 -0.030 0.000 1.051 270 I HN 0.192 nan 8.210 nan 0.000 0.413 271 A N 0.985 123.800 122.820 -0.007 0.000 1.883 271 A HA -0.183 4.129 4.320 -0.013 0.000 0.217 271 A C 2.276 179.857 177.584 -0.005 0.000 1.186 271 A CA 1.490 53.526 52.037 -0.000 0.000 0.624 271 A CB -0.883 18.116 19.000 -0.002 0.000 0.822 271 A HN 0.400 nan 8.150 nan 0.000 0.444 272 L N -0.782 120.432 121.223 -0.015 0.000 2.131 272 L HA -0.152 4.180 4.340 -0.013 0.000 0.210 272 L C 2.737 179.591 176.870 -0.028 0.000 1.092 272 L CA 1.649 56.475 54.840 -0.023 0.000 0.759 272 L CB -0.902 41.139 42.059 -0.030 0.000 0.903 272 L HN 0.351 nan 8.230 nan 0.000 0.435 273 T N -0.840 113.697 114.554 -0.029 0.000 2.737 273 T HA -0.152 4.190 4.350 -0.013 0.000 0.265 273 T C 2.047 176.748 174.700 0.001 0.000 1.038 273 T CA 1.014 63.093 62.100 -0.035 0.000 1.144 273 T CB -0.150 68.690 68.868 -0.046 0.000 0.866 273 T HN 0.249 nan 8.240 nan 0.000 0.434 274 R N 0.866 121.385 120.500 0.033 0.000 2.103 274 R HA -0.143 4.189 4.340 -0.013 0.000 0.242 274 R C 2.527 178.868 176.300 0.069 0.000 1.142 274 R CA 1.707 57.867 56.100 0.100 0.000 0.960 274 R CB -0.216 30.148 30.300 0.106 0.000 0.858 274 R HN 0.553 nan 8.270 nan 0.000 0.439 275 E N 0.077 120.291 120.200 0.022 0.000 2.072 275 E HA -0.246 4.096 4.350 -0.013 0.000 0.191 275 E C 2.078 178.677 176.600 -0.003 0.000 0.985 275 E CA 1.112 57.514 56.400 0.002 0.000 0.801 275 E CB -0.010 29.683 29.700 -0.012 0.000 0.750 275 E HN 0.329 nan 8.360 nan 0.000 0.452 276 Q N 0.623 120.412 119.800 -0.018 0.000 2.084 276 Q HA -0.136 4.196 4.340 -0.013 0.000 0.202 276 Q C 2.008 178.000 176.000 -0.014 0.000 0.978 276 Q CA 1.063 56.841 55.803 -0.043 0.000 0.844 276 Q CB 0.068 28.749 28.738 -0.095 0.000 0.898 276 Q HN 0.281 nan 8.270 nan 0.000 0.426 277 L N -0.728 120.511 121.223 0.028 0.000 2.395 277 L HA 0.127 4.459 4.340 -0.013 0.000 0.218 277 L C 1.248 178.201 176.870 0.137 0.000 1.130 277 L CA 0.432 55.331 54.840 0.097 0.000 0.826 277 L CB -0.199 41.938 42.059 0.131 0.000 0.941 277 L HN 0.549 nan 8.230 nan 0.000 0.451 278 G N -0.537 108.321 108.800 0.096 0.000 2.221 278 G HA2 -0.293 3.659 3.960 -0.013 0.000 0.265 278 G HA3 -0.293 3.659 3.960 -0.013 0.000 0.265 278 G C -0.069 174.887 174.900 0.094 0.000 1.041 278 G CA -0.134 45.005 45.100 0.065 0.000 0.807 278 G HN 0.463 nan 8.290 nan 0.000 0.502 279 W N 1.519 122.797 121.300 -0.037 0.000 2.311 279 W HA 0.438 5.090 4.660 -0.013 0.000 0.317 279 W C 1.034 177.490 176.519 -0.104 0.000 1.065 279 W CA -0.391 56.934 57.345 -0.035 0.000 1.364 279 W CB 0.449 29.918 29.460 0.014 0.000 1.233 279 W HN 0.364 nan 8.180 nan 0.000 0.409 280 K N 4.107 124.076 120.400 -0.718 0.000 2.361 280 K HA -0.036 4.276 4.320 -0.013 0.000 0.196 280 K C -0.312 175.914 176.600 -0.624 0.000 1.039 280 K CA 0.344 56.261 56.287 -0.617 0.000 1.001 280 K CB -0.176 31.922 32.500 -0.670 0.000 0.795 280 K HN 0.193 nan 8.250 nan 0.000 0.495 281 Y N 2.263 122.168 120.300 -0.658 0.000 2.411 281 Y HA 0.277 4.819 4.550 -0.013 0.000 0.333 281 Y C 0.980 176.883 175.900 0.005 0.000 1.186 281 Y CA -0.805 57.104 58.100 -0.319 0.000 1.381 281 Y CB 0.508 38.740 38.460 -0.379 0.000 1.273 281 Y HN 0.092 nan 8.280 nan 0.000 0.546 282 A N 4.367 127.300 122.820 0.189 0.000 2.386 282 A HA 0.364 4.676 4.320 -0.013 0.000 0.246 282 A C -2.422 175.257 177.584 0.158 0.000 1.089 282 A CA -1.556 50.570 52.037 0.147 0.000 0.790 282 A CB -0.552 18.519 19.000 0.118 0.000 1.042 282 A HN 0.549 nan 8.150 nan 0.000 0.497 283 P HA 0.176 nan 4.420 nan 0.000 0.262 283 P C -0.378 176.920 177.300 -0.003 0.000 1.182 283 P CA 0.705 63.724 63.100 -0.135 0.000 0.761 283 P CB -0.232 31.383 31.700 -0.142 0.000 0.795 284 F N -0.646 119.346 119.950 0.070 0.000 2.914 284 F HA -0.230 4.289 4.527 -0.014 0.000 0.304 284 F C 0.731 176.575 175.800 0.073 0.000 0.712 284 F CA 0.878 58.898 58.000 0.033 0.000 1.211 284 F CB -2.029 36.972 39.000 0.002 0.000 1.515 284 F HN 0.332 nan 8.300 nan 0.000 0.350 285 E N 1.949 122.274 120.200 0.209 0.000 2.134 285 E HA 0.556 4.898 4.350 -0.013 0.000 0.278 285 E C -0.592 176.051 176.600 0.071 0.000 0.959 285 E CA -0.480 56.016 56.400 0.160 0.000 0.783 285 E CB 0.779 30.581 29.700 0.170 0.000 1.095 285 E HN 0.188 nan 8.360 nan 0.000 0.399 286 I N 6.673 127.225 120.570 -0.030 0.000 2.478 286 I HA 0.319 4.481 4.170 -0.013 0.000 0.287 286 I C -2.216 173.713 176.117 -0.314 0.000 1.042 286 I CA -2.477 58.654 61.300 -0.283 0.000 1.067 286 I CB 1.320 39.016 38.000 -0.506 0.000 1.233 286 I HN 0.532 nan 8.210 nan 0.000 0.431 287 P HA 0.258 nan 4.420 nan 0.000 0.274 287 P C 0.639 177.913 177.300 -0.044 0.000 1.237 287 P CA -0.227 62.699 63.100 -0.290 0.000 0.793 287 P CB 1.170 32.610 31.700 -0.433 0.000 0.977 288 S N 1.123 116.870 115.700 0.079 0.000 2.374 288 S HA -0.202 4.260 4.470 -0.013 0.000 0.227 288 S C 1.594 176.272 174.600 0.129 0.000 1.037 288 S CA 1.803 60.099 58.200 0.161 0.000 1.024 288 S CB -0.556 62.703 63.200 0.098 0.000 0.861 288 S HN 0.581 nan 8.310 nan 0.000 0.456 289 E N 0.976 121.213 120.200 0.061 0.000 2.110 289 E HA -0.030 4.312 4.350 -0.013 0.000 0.193 289 E C 1.882 178.523 176.600 0.069 0.000 0.988 289 E CA 0.827 57.261 56.400 0.057 0.000 0.804 289 E CB -0.234 29.490 29.700 0.039 0.000 0.745 289 E HN 0.511 nan 8.360 nan 0.000 0.458 290 I N -0.458 120.136 120.570 0.040 0.000 2.333 290 I HA -0.216 3.946 4.170 -0.013 0.000 0.246 290 I C 1.611 177.826 176.117 0.165 0.000 1.106 290 I CA 0.782 62.132 61.300 0.083 0.000 1.411 290 I CB -0.175 37.853 38.000 0.047 0.000 1.082 290 I HN 0.121 nan 8.210 nan 0.000 0.420 291 Y N 1.167 121.555 120.300 0.146 0.000 2.151 291 Y HA -0.281 4.261 4.550 -0.014 0.000 0.284 291 Y C 2.709 178.687 175.900 0.129 0.000 1.166 291 Y CA 1.334 59.515 58.100 0.136 0.000 1.163 291 Y CB -1.003 37.489 38.460 0.054 0.000 0.974 291 Y HN 0.140 nan 8.280 nan 0.000 0.511 292 A N -0.260 122.704 122.820 0.241 0.000 1.940 292 A HA -0.272 4.040 4.320 -0.013 0.000 0.219 292 A C 2.065 179.716 177.584 0.113 0.000 1.176 292 A CA 2.046 54.168 52.037 0.142 0.000 0.631 292 A CB -0.616 18.439 19.000 0.091 0.000 0.814 292 A HN 0.600 nan 8.150 nan 0.000 0.446 293 Q N -2.753 117.108 119.800 0.101 0.000 2.302 293 Q HA -0.073 4.259 4.340 -0.013 0.000 0.202 293 Q C 1.763 177.760 176.000 -0.006 0.000 0.936 293 Q CA 0.839 56.646 55.803 0.006 0.000 0.886 293 Q CB -0.083 28.615 28.738 -0.067 0.000 0.986 293 Q HN 0.880 nan 8.270 nan 0.000 0.487 294 W N 1.467 122.812 121.300 0.075 0.000 2.523 294 W HA 0.007 4.658 4.660 -0.014 0.000 0.278 294 W C 0.388 176.980 176.519 0.120 0.000 1.236 294 W CA -0.274 57.126 57.345 0.092 0.000 1.306 294 W CB 0.390 29.896 29.460 0.077 0.000 1.101 294 W HN 0.027 nan 8.180 nan 0.000 0.577 295 D N -0.333 120.276 120.400 0.349 0.000 2.455 295 D HA 0.181 4.813 4.640 -0.013 0.000 0.241 295 D C 0.740 177.136 176.300 0.159 0.000 1.138 295 D CA 0.634 54.771 54.000 0.228 0.000 0.877 295 D CB 1.271 42.153 40.800 0.137 0.000 1.187 295 D HN 0.039 nan 8.370 nan 0.000 0.451 296 A N 3.620 126.512 122.820 0.119 0.000 2.508 296 A HA 0.106 4.418 4.320 -0.013 0.000 0.257 296 A C 1.624 179.147 177.584 -0.102 0.000 1.226 296 A CA -0.281 51.768 52.037 0.021 0.000 0.947 296 A CB 0.115 19.127 19.000 0.020 0.000 1.079 296 A HN 0.577 nan 8.150 nan 0.000 0.531 297 K N 0.564 120.916 120.400 -0.081 0.000 2.026 297 K HA -0.161 4.151 4.320 -0.013 0.000 0.208 297 K C 1.507 178.041 176.600 -0.110 0.000 1.048 297 K CA 1.791 58.005 56.287 -0.121 0.000 0.929 297 K CB -0.056 32.385 32.500 -0.098 0.000 0.713 297 K HN 0.603 nan 8.250 nan 0.000 0.439 298 E N 0.561 120.718 120.200 -0.072 0.000 2.047 298 E HA -0.152 4.190 4.350 -0.013 0.000 0.191 298 E C 2.141 178.700 176.600 -0.069 0.000 0.987 298 E CA 0.949 57.311 56.400 -0.063 0.000 0.799 298 E CB -0.111 29.565 29.700 -0.039 0.000 0.752 298 E HN 0.307 nan 8.360 nan 0.000 0.449 299 A N 1.440 124.225 122.820 -0.059 0.000 1.877 299 A HA -0.121 4.191 4.320 -0.013 0.000 0.216 299 A C 2.458 179.990 177.584 -0.086 0.000 1.186 299 A CA 1.819 53.825 52.037 -0.051 0.000 0.620 299 A CB -1.284 17.701 19.000 -0.025 0.000 0.822 299 A HN 0.358 nan 8.150 nan 0.000 0.443 300 G N -0.917 107.796 108.800 -0.145 0.000 2.446 300 G HA2 -0.324 3.628 3.960 -0.013 0.000 0.217 300 G HA3 -0.324 3.628 3.960 -0.013 0.000 0.217 300 G C 1.649 176.401 174.900 -0.247 0.000 1.168 300 G CA 1.188 46.163 45.100 -0.209 0.000 0.771 300 G HN 0.507 nan 8.290 nan 0.000 0.551 301 Q N 0.951 120.630 119.800 -0.202 0.000 2.061 301 Q HA -0.119 4.213 4.340 -0.013 0.000 0.204 301 Q C 2.799 178.690 176.000 -0.181 0.000 0.984 301 Q CA 2.084 57.770 55.803 -0.195 0.000 0.846 301 Q CB -0.676 27.982 28.738 -0.134 0.000 0.902 301 Q HN 0.374 nan 8.270 nan 0.000 0.421 302 A N 1.047 123.792 122.820 -0.125 0.000 1.902 302 A HA -0.194 4.118 4.320 -0.013 0.000 0.217 302 A C 2.162 179.697 177.584 -0.082 0.000 1.181 302 A CA 1.811 53.800 52.037 -0.081 0.000 0.623 302 A CB -0.389 18.585 19.000 -0.044 0.000 0.818 302 A HN 0.433 nan 8.150 nan 0.000 0.443 303 K N -0.701 119.638 120.400 -0.101 0.000 2.025 303 K HA -0.153 4.159 4.320 -0.013 0.000 0.207 303 K C 2.160 178.614 176.600 -0.245 0.000 1.049 303 K CA 1.521 57.781 56.287 -0.044 0.000 0.933 303 K CB -0.137 32.415 32.500 0.087 0.000 0.714 303 K HN 0.680 nan 8.250 nan 0.000 0.438 304 E N 0.601 120.381 120.200 -0.700 0.000 2.106 304 E HA -0.135 4.207 4.350 -0.013 0.000 0.192 304 E C 1.783 178.188 176.600 -0.325 0.000 0.984 304 E CA 1.077 56.850 56.400 -1.046 0.000 0.806 304 E CB 0.175 29.091 29.700 -1.306 0.000 0.750 304 E HN 0.108 nan 8.360 nan 0.000 0.458 305 S N 0.430 116.008 115.700 -0.203 0.000 2.368 305 S HA -0.183 4.279 4.470 -0.013 0.000 0.225 305 S C 2.040 176.646 174.600 0.009 0.000 1.030 305 S CA 0.999 59.156 58.200 -0.071 0.000 0.999 305 S CB -0.305 62.855 63.200 -0.068 0.000 0.844 305 S HN 0.491 nan 8.310 nan 0.000 0.459 306 A N 0.426 123.266 122.820 0.032 0.000 1.908 306 A HA -0.194 4.118 4.320 -0.013 0.000 0.218 306 A C 1.861 179.539 177.584 0.158 0.000 1.181 306 A CA 1.678 53.767 52.037 0.088 0.000 0.627 306 A CB -1.112 17.952 19.000 0.108 0.000 0.818 306 A HN 0.723 nan 8.150 nan 0.000 0.445 307 W N 1.308 122.656 121.300 0.080 0.000 2.358 307 W HA -0.164 4.487 4.660 -0.014 0.000 0.303 307 W C 1.844 178.470 176.519 0.179 0.000 1.208 307 W CA 1.812 59.276 57.345 0.198 0.000 1.274 307 W CB -0.195 29.529 29.460 0.440 0.000 1.138 307 W HN 0.361 nan 8.180 nan 0.000 0.515 308 N N 0.619 119.452 118.700 0.221 0.000 2.149 308 N HA -0.206 4.526 4.740 -0.013 0.000 0.188 308 N C 1.511 177.014 175.510 -0.012 0.000 1.019 308 N CA 2.071 55.169 53.050 0.079 0.000 0.857 308 N CB -0.728 37.828 38.487 0.114 0.000 0.997 308 N HN 0.439 nan 8.380 nan 0.000 0.426 309 E N 0.668 120.866 120.200 -0.004 0.000 2.077 309 E HA -0.155 4.187 4.350 -0.013 0.000 0.193 309 E C 1.863 178.436 176.600 -0.045 0.000 0.989 309 E CA 0.826 57.219 56.400 -0.011 0.000 0.800 309 E CB -0.017 29.686 29.700 0.005 0.000 0.746 309 E HN 0.341 nan 8.360 nan 0.000 0.452 310 K N 0.344 120.685 120.400 -0.097 0.000 2.026 310 K HA -0.179 4.133 4.320 -0.013 0.000 0.208 310 K C 1.990 178.483 176.600 -0.180 0.000 1.048 310 K CA 1.156 57.368 56.287 -0.126 0.000 0.929 310 K CB -0.186 32.211 32.500 -0.172 0.000 0.713 310 K HN 0.028 nan 8.250 nan 0.000 0.439 311 F N 1.080 120.686 119.950 -0.573 0.000 2.186 311 F HA -0.114 4.404 4.527 -0.015 0.000 0.299 311 F C 1.966 177.674 175.800 -0.154 0.000 1.090 311 F CA 1.321 59.005 58.000 -0.526 0.000 1.307 311 F CB -0.351 38.090 39.000 -0.932 0.000 1.019 311 F HN 0.085 nan 8.300 nan 0.000 0.489 312 A N 0.306 123.084 122.820 -0.070 0.000 1.902 312 A HA -0.099 4.213 4.320 -0.013 0.000 0.217 312 A C 2.399 179.923 177.584 -0.099 0.000 1.181 312 A CA 1.800 53.797 52.037 -0.066 0.000 0.623 312 A CB -1.524 17.478 19.000 0.003 0.000 0.818 312 A HN 0.465 nan 8.150 nan 0.000 0.443 313 A N -1.778 121.019 122.820 -0.039 0.000 1.930 313 A HA -0.079 4.233 4.320 -0.013 0.000 0.217 313 A C 2.114 179.706 177.584 0.013 0.000 1.175 313 A CA 1.507 53.565 52.037 0.035 0.000 0.627 313 A CB -0.744 18.331 19.000 0.125 0.000 0.815 313 A HN 0.735 nan 8.150 nan 0.000 0.443 314 Y N 0.492 120.669 120.300 -0.206 0.000 2.145 314 Y HA -0.092 4.449 4.550 -0.014 0.000 0.286 314 Y C 2.620 178.289 175.900 -0.385 0.000 1.145 314 Y CA 1.462 59.327 58.100 -0.392 0.000 1.148 314 Y CB -0.306 37.895 38.460 -0.432 0.000 0.981 314 Y HN 0.315 nan 8.280 nan 0.000 0.507 315 A N 0.314 122.859 122.820 -0.458 0.000 1.940 315 A HA -0.229 4.083 4.320 -0.013 0.000 0.219 315 A C 2.243 179.652 177.584 -0.291 0.000 1.176 315 A CA 1.936 53.720 52.037 -0.422 0.000 0.631 315 A CB -0.718 18.065 19.000 -0.362 0.000 0.814 315 A HN 0.544 nan 8.150 nan 0.000 0.446 316 K N -0.572 119.688 120.400 -0.235 0.000 2.057 316 K HA -0.037 4.275 4.320 -0.013 0.000 0.206 316 K C 2.070 178.515 176.600 -0.260 0.000 1.050 316 K CA 1.157 57.332 56.287 -0.186 0.000 0.935 316 K CB -0.246 32.182 32.500 -0.119 0.000 0.715 316 K HN 0.392 nan 8.250 nan 0.000 0.439 317 A N -0.426 122.180 122.820 -0.358 0.000 2.021 317 A HA -0.013 4.299 4.320 -0.013 0.000 0.216 317 A C 0.102 177.146 177.584 -0.901 0.000 1.163 317 A CA 0.727 52.425 52.037 -0.564 0.000 0.676 317 A CB 0.062 18.721 19.000 -0.568 0.000 0.818 317 A HN 0.356 nan 8.150 nan 0.000 0.453 318 Y N -0.919 119.054 120.300 -0.545 0.000 2.490 318 Y HA 0.270 4.813 4.550 -0.011 0.000 0.346 318 Y C -1.995 173.629 175.900 -0.460 0.000 1.023 318 Y CA -2.016 55.753 58.100 -0.552 0.000 1.142 318 Y CB 0.974 38.910 38.460 -0.873 0.000 1.126 318 Y HN 0.166 nan 8.280 nan 0.000 0.647 319 P HA -0.185 nan 4.420 nan 0.000 0.216 319 P C 1.020 178.297 177.300 -0.038 0.000 1.153 319 P CA 1.602 64.627 63.100 -0.126 0.000 0.848 319 P CB 0.573 32.214 31.700 -0.099 0.000 0.787 320 Q N -0.087 119.706 119.800 -0.013 0.000 2.050 320 Q HA -0.183 4.149 4.340 -0.013 0.000 0.202 320 Q C 2.213 178.282 176.000 0.116 0.000 0.980 320 Q CA 1.508 57.339 55.803 0.046 0.000 0.840 320 Q CB -0.425 28.333 28.738 0.034 0.000 0.898 320 Q HN 0.283 nan 8.270 nan 0.000 0.424 321 E N 0.833 121.101 120.200 0.114 0.000 2.077 321 E HA -0.173 4.169 4.350 -0.013 0.000 0.193 321 E C 1.826 178.710 176.600 0.474 0.000 0.989 321 E CA 1.284 57.850 56.400 0.276 0.000 0.800 321 E CB -0.310 29.488 29.700 0.163 0.000 0.746 321 E HN 0.389 nan 8.360 nan 0.000 0.452 322 A N 1.027 123.987 122.820 0.232 0.000 1.902 322 A HA -0.102 4.210 4.320 -0.013 0.000 0.217 322 A C 2.377 180.227 177.584 0.443 0.000 1.181 322 A CA 1.916 54.151 52.037 0.329 0.000 0.623 322 A CB -0.893 18.040 19.000 -0.111 0.000 0.818 322 A HN 0.290 nan 8.150 nan 0.000 0.443 323 A N -0.607 122.375 122.820 0.271 0.000 1.902 323 A HA -0.143 4.169 4.320 -0.013 0.000 0.217 323 A C 1.967 179.699 177.584 0.247 0.000 1.181 323 A CA 1.663 53.839 52.037 0.233 0.000 0.623 323 A CB -0.426 18.659 19.000 0.140 0.000 0.818 323 A HN 0.453 nan 8.150 nan 0.000 0.443 324 E N -0.965 119.413 120.200 0.296 0.000 2.077 324 E HA -0.180 4.162 4.350 -0.013 0.000 0.193 324 E C 1.742 178.522 176.600 0.301 0.000 0.989 324 E CA 1.118 57.706 56.400 0.314 0.000 0.800 324 E CB -0.441 29.499 29.700 0.399 0.000 0.746 324 E HN 0.699 nan 8.360 nan 0.000 0.452 325 F N 1.834 121.884 119.950 0.166 0.000 2.102 325 F HA -0.205 4.318 4.527 -0.008 0.000 0.298 325 F C 2.391 178.132 175.800 -0.098 0.000 1.105 325 F CA 1.816 59.646 58.000 -0.283 0.000 1.239 325 F CB -0.418 38.403 39.000 -0.299 0.000 0.991 325 F HN -0.071 nan 8.300 nan 0.000 0.474 326 T N 0.842 115.518 114.554 0.204 0.000 2.684 326 T HA -0.248 4.094 4.350 -0.013 0.000 0.267 326 T C 2.094 176.757 174.700 -0.061 0.000 1.036 326 T CA 1.713 63.846 62.100 0.056 0.000 1.148 326 T CB -0.420 68.571 68.868 0.205 0.000 0.863 326 T HN 0.267 nan 8.240 nan 0.000 0.436 327 R N 0.901 121.399 120.500 -0.003 0.000 2.080 327 R HA -0.092 4.240 4.340 -0.013 0.000 0.236 327 R C 2.573 178.811 176.300 -0.104 0.000 1.137 327 R CA 1.540 57.621 56.100 -0.031 0.000 0.943 327 R CB -0.104 30.202 30.300 0.009 0.000 0.846 327 R HN 0.322 nan 8.270 nan 0.000 0.431 328 R N -0.534 119.877 120.500 -0.149 0.000 2.092 328 R HA -0.030 4.302 4.340 -0.013 0.000 0.231 328 R C 2.373 178.495 176.300 -0.297 0.000 1.119 328 R CA 1.409 57.382 56.100 -0.211 0.000 0.970 328 R CB -0.155 30.019 30.300 -0.209 0.000 0.864 328 R HN 0.243 nan 8.270 nan 0.000 0.440 329 M N 0.772 120.105 119.600 -0.444 0.000 2.213 329 M HA -0.135 4.337 4.480 -0.013 0.000 0.263 329 M C 1.619 177.775 176.300 -0.241 0.000 1.062 329 M CA 1.637 56.678 55.300 -0.430 0.000 1.105 329 M CB -0.478 31.745 32.600 -0.627 0.000 1.385 329 M HN 0.032 nan 8.290 nan 0.000 0.417 330 K N -0.593 119.698 120.400 -0.182 0.000 2.432 330 K HA 0.128 4.440 4.320 -0.013 0.000 0.196 330 K C 1.103 177.651 176.600 -0.087 0.000 1.038 330 K CA 0.604 56.826 56.287 -0.109 0.000 0.986 330 K CB -0.055 32.400 32.500 -0.075 0.000 0.782 330 K HN 0.536 nan 8.250 nan 0.000 0.485 331 G N 2.176 110.915 108.800 -0.101 0.000 2.153 331 G HA2 -0.292 3.660 3.960 -0.013 0.000 0.252 331 G HA3 -0.292 3.660 3.960 -0.013 0.000 0.252 331 G C -0.426 174.427 174.900 -0.077 0.000 0.994 331 G CA 0.142 45.196 45.100 -0.078 0.000 0.698 331 G HN 0.383 nan 8.290 nan 0.000 0.521 332 E N 0.006 120.159 120.200 -0.078 0.000 2.383 332 E HA 0.455 4.797 4.350 -0.013 0.000 0.264 332 E C 0.910 177.452 176.600 -0.097 0.000 1.050 332 E CA -0.310 56.047 56.400 -0.071 0.000 0.896 332 E CB 0.460 30.131 29.700 -0.049 0.000 0.982 332 E HN 0.181 nan 8.360 nan 0.000 0.424 333 M N 2.061 121.598 119.600 -0.104 0.000 2.288 333 M HA 0.311 4.783 4.480 -0.013 0.000 0.334 333 M C -2.162 174.087 176.300 -0.086 0.000 1.150 333 M CA -2.561 52.648 55.300 -0.153 0.000 1.118 333 M CB -0.197 32.294 32.600 -0.182 0.000 1.501 333 M HN 0.164 nan 8.290 nan 0.000 0.462 334 P HA 0.054 nan 4.420 nan 0.000 0.266 334 P C 0.554 177.870 177.300 0.027 0.000 1.195 334 P CA 0.086 63.177 63.100 -0.015 0.000 0.768 334 P CB 0.326 32.026 31.700 0.001 0.000 0.838 335 S N 1.073 116.786 115.700 0.021 0.000 2.399 335 S HA -0.197 4.265 4.470 -0.013 0.000 0.231 335 S C 1.099 175.715 174.600 0.026 0.000 1.022 335 S CA 1.524 59.737 58.200 0.021 0.000 0.983 335 S CB -0.788 62.421 63.200 0.014 0.000 0.803 335 S HN 0.596 nan 8.310 nan 0.000 0.480 336 D N -0.354 120.063 120.400 0.029 0.000 2.340 336 D HA 0.111 4.743 4.640 -0.013 0.000 0.217 336 D C 1.114 177.407 176.300 -0.011 0.000 1.081 336 D CA -0.491 53.512 54.000 0.005 0.000 0.842 336 D CB -0.708 40.089 40.800 -0.006 0.000 0.934 336 D HN 0.403 nan 8.370 nan 0.000 0.511 337 F N 1.874 121.757 119.950 -0.112 0.000 2.102 337 F HA -0.136 4.392 4.527 0.001 0.000 0.298 337 F C 1.772 177.476 175.800 -0.160 0.000 1.105 337 F CA 1.727 59.622 58.000 -0.174 0.000 1.239 337 F CB -0.199 38.663 39.000 -0.231 0.000 0.991 337 F HN -0.063 nan 8.300 nan 0.000 0.474 338 D N 0.139 120.488 120.400 -0.085 0.000 2.116 338 D HA -0.243 4.389 4.640 -0.013 0.000 0.193 338 D C 2.188 178.367 176.300 -0.201 0.000 0.998 338 D CA 1.789 55.706 54.000 -0.137 0.000 0.836 338 D CB -0.387 40.402 40.800 -0.019 0.000 0.951 338 D HN 0.323 nan 8.370 nan 0.000 0.449 339 A N 0.158 122.892 122.820 -0.142 0.000 1.898 339 A HA -0.158 4.154 4.320 -0.013 0.000 0.216 339 A C 2.160 179.659 177.584 -0.142 0.000 1.181 339 A CA 1.532 53.503 52.037 -0.109 0.000 0.620 339 A CB -0.449 18.511 19.000 -0.066 0.000 0.819 339 A HN 0.215 nan 8.150 nan 0.000 0.442 340 K N -0.359 119.916 120.400 -0.209 0.000 2.097 340 K HA -0.015 4.297 4.320 -0.013 0.000 0.205 340 K C 2.295 178.752 176.600 -0.238 0.000 1.050 340 K CA 1.027 57.193 56.287 -0.203 0.000 0.938 340 K CB -0.282 32.089 32.500 -0.214 0.000 0.718 340 K HN 0.434 nan 8.250 nan 0.000 0.442 341 A N 1.860 124.378 122.820 -0.504 0.000 1.898 341 A HA -0.165 4.147 4.320 -0.013 0.000 0.216 341 A C 1.905 179.467 177.584 -0.036 0.000 1.181 341 A CA 1.382 53.204 52.037 -0.358 0.000 0.620 341 A CB -0.233 18.253 19.000 -0.855 0.000 0.819 341 A HN 0.165 nan 8.150 nan 0.000 0.442 342 K N -0.539 119.804 120.400 -0.096 0.000 2.097 342 K HA -0.177 4.135 4.320 -0.013 0.000 0.206 342 K C 2.111 178.709 176.600 -0.004 0.000 1.049 342 K CA 1.470 57.738 56.287 -0.031 0.000 0.933 342 K CB -0.109 32.362 32.500 -0.047 0.000 0.717 342 K HN 0.715 nan 8.250 nan 0.000 0.442 343 E N 0.319 120.517 120.200 -0.003 0.000 2.077 343 E HA -0.220 4.122 4.350 -0.013 0.000 0.193 343 E C 1.852 178.495 176.600 0.072 0.000 0.989 343 E CA 0.992 57.404 56.400 0.020 0.000 0.800 343 E CB -0.103 29.604 29.700 0.012 0.000 0.746 343 E HN 0.230 nan 8.360 nan 0.000 0.452 344 F N 1.385 121.311 119.950 -0.041 0.000 2.102 344 F HA -0.153 4.368 4.527 -0.009 0.000 0.298 344 F C 1.956 177.748 175.800 -0.013 0.000 1.105 344 F CA 1.504 59.494 58.000 -0.017 0.000 1.239 344 F CB -0.289 38.721 39.000 0.017 0.000 0.991 344 F HN 0.007 nan 8.300 nan 0.000 0.474 345 I N 0.266 120.790 120.570 -0.077 0.000 2.208 345 I HA -0.324 3.838 4.170 -0.013 0.000 0.245 345 I C 2.682 178.701 176.117 -0.164 0.000 1.097 345 I CA 1.304 62.503 61.300 -0.168 0.000 1.363 345 I CB -0.953 37.035 38.000 -0.020 0.000 1.051 345 I HN 0.248 nan 8.210 nan 0.000 0.413 346 A N 0.503 123.266 122.820 -0.095 0.000 1.902 346 A HA -0.257 4.055 4.320 -0.013 0.000 0.217 346 A C 2.400 179.926 177.584 -0.096 0.000 1.181 346 A CA 1.827 53.818 52.037 -0.076 0.000 0.623 346 A CB -0.528 18.447 19.000 -0.043 0.000 0.818 346 A HN 0.348 nan 8.150 nan 0.000 0.443 347 K N -0.214 120.118 120.400 -0.113 0.000 2.057 347 K HA -0.097 4.215 4.320 -0.013 0.000 0.207 347 K C 1.892 178.393 176.600 -0.164 0.000 1.049 347 K CA 1.438 57.658 56.287 -0.111 0.000 0.931 347 K CB -0.320 32.132 32.500 -0.079 0.000 0.714 347 K HN 0.506 nan 8.250 nan 0.000 0.440 348 L N 0.594 121.646 121.223 -0.285 0.000 2.046 348 L HA -0.200 4.132 4.340 -0.013 0.000 0.208 348 L C 2.742 179.521 176.870 -0.152 0.000 1.077 348 L CA 1.229 55.907 54.840 -0.269 0.000 0.747 348 L CB -0.519 41.298 42.059 -0.403 0.000 0.896 348 L HN 0.286 nan 8.230 nan 0.000 0.432 349 Q N 0.448 120.171 119.800 -0.129 0.000 2.170 349 Q HA -0.143 4.189 4.340 -0.013 0.000 0.203 349 Q C 2.031 177.995 176.000 -0.059 0.000 0.976 349 Q CA 1.923 57.679 55.803 -0.078 0.000 0.858 349 Q CB -0.178 28.522 28.738 -0.064 0.000 0.907 349 Q HN 0.446 nan 8.270 nan 0.000 0.433 350 A N -0.444 122.339 122.820 -0.063 0.000 2.169 350 A HA 0.073 4.385 4.320 -0.013 0.000 0.212 350 A C 0.280 177.840 177.584 -0.040 0.000 1.153 350 A CA 0.362 52.373 52.037 -0.043 0.000 0.756 350 A CB 0.125 19.102 19.000 -0.038 0.000 0.813 350 A HN 0.323 nan 8.150 nan 0.000 0.471 351 N N 1.029 119.698 118.700 -0.052 0.000 2.790 351 N HA 0.255 4.987 4.740 -0.013 0.000 0.256 351 N C -3.245 172.238 175.510 -0.046 0.000 1.409 351 N CA -0.921 52.103 53.050 -0.043 0.000 0.799 351 N CB 1.180 39.641 38.487 -0.042 0.000 1.170 351 N HN 0.053 nan 8.380 nan 0.000 0.507 352 P HA 0.130 nan 4.420 nan 0.000 0.266 352 P C -0.905 176.378 177.300 -0.027 0.000 1.195 352 P CA -0.008 63.072 63.100 -0.033 0.000 0.768 352 P CB 0.770 32.456 31.700 -0.024 0.000 0.838 353 A N 2.405 125.209 122.820 -0.027 0.000 2.437 353 A HA 0.451 4.763 4.320 -0.013 0.000 0.293 353 A C -0.639 176.936 177.584 -0.015 0.000 1.038 353 A CA -0.725 51.301 52.037 -0.018 0.000 0.708 353 A CB 1.003 19.993 19.000 -0.016 0.000 1.251 353 A HN 0.428 nan 8.150 nan 0.000 0.409 354 K N 3.575 123.969 120.400 -0.011 0.000 2.206 354 K HA 0.565 4.877 4.320 -0.013 0.000 0.268 354 K C -0.578 176.020 176.600 -0.004 0.000 1.111 354 K CA -0.124 56.156 56.287 -0.010 0.000 0.955 354 K CB -0.268 32.224 32.500 -0.013 0.000 1.406 354 K HN 0.712 nan 8.250 nan 0.000 0.427 355 I N -0.387 120.182 120.570 -0.001 0.000 3.042 355 I HA 0.626 4.788 4.170 -0.013 0.000 0.310 355 I C -0.447 175.676 176.117 0.009 0.000 1.117 355 I CA -1.547 59.758 61.300 0.007 0.000 1.003 355 I CB 1.895 39.904 38.000 0.013 0.000 1.228 355 I HN 0.336 nan 8.210 nan 0.000 0.443 356 A N 2.095 124.923 122.820 0.013 0.000 2.462 356 A HA 0.318 4.630 4.320 -0.013 0.000 0.243 356 A C 1.309 178.911 177.584 0.029 0.000 1.076 356 A CA 0.277 52.321 52.037 0.011 0.000 0.773 356 A CB 0.198 19.200 19.000 0.003 0.000 1.010 356 A HN 1.026 nan 8.150 nan 0.000 0.493 357 S N 2.036 117.756 115.700 0.034 0.000 2.442 357 S HA -0.236 4.226 4.470 -0.013 0.000 0.236 357 S C 1.709 176.362 174.600 0.089 0.000 1.007 357 S CA 1.102 59.340 58.200 0.062 0.000 0.965 357 S CB -0.477 62.764 63.200 0.068 0.000 0.773 357 S HN 0.897 nan 8.310 nan 0.000 0.504 358 R N 1.504 122.053 120.500 0.083 0.000 2.096 358 R HA 0.029 4.361 4.340 -0.013 0.000 0.235 358 R C 2.150 178.516 176.300 0.110 0.000 1.127 358 R CA 1.510 57.683 56.100 0.121 0.000 0.968 358 R CB -0.447 29.938 30.300 0.141 0.000 0.861 358 R HN 0.353 nan 8.270 nan 0.000 0.440 359 K N 1.213 121.660 120.400 0.079 0.000 2.103 359 K HA 0.064 4.376 4.320 -0.013 0.000 0.204 359 K C 2.110 178.744 176.600 0.056 0.000 1.052 359 K CA 1.508 57.834 56.287 0.065 0.000 0.945 359 K CB -0.409 32.122 32.500 0.050 0.000 0.722 359 K HN 0.290 nan 8.250 nan 0.000 0.443 360 A N -0.105 122.751 122.820 0.061 0.000 1.978 360 A HA -0.170 4.142 4.320 -0.013 0.000 0.220 360 A C 2.291 179.916 177.584 0.069 0.000 1.170 360 A CA 2.196 54.271 52.037 0.063 0.000 0.636 360 A CB -1.034 18.005 19.000 0.064 0.000 0.810 360 A HN 0.437 nan 8.150 nan 0.000 0.448 361 S N -0.969 114.802 115.700 0.119 0.000 2.355 361 S HA -0.247 4.215 4.470 -0.013 0.000 0.222 361 S C 2.223 176.785 174.600 -0.064 0.000 1.031 361 S CA 1.672 59.986 58.200 0.191 0.000 0.993 361 S CB -0.385 63.014 63.200 0.332 0.000 0.859 361 S HN 0.686 nan 8.310 nan 0.000 0.453 362 Q N 0.470 120.262 119.800 -0.013 0.000 2.096 362 Q HA -0.165 4.168 4.340 -0.013 0.000 0.204 362 Q C 1.727 177.639 176.000 -0.147 0.000 0.982 362 Q CA 1.824 57.588 55.803 -0.065 0.000 0.850 362 Q CB -0.235 28.518 28.738 0.026 0.000 0.901 362 Q HN 0.528 nan 8.270 nan 0.000 0.422 363 N N 0.218 118.865 118.700 -0.089 0.000 2.166 363 N HA -0.133 4.599 4.740 -0.013 0.000 0.186 363 N C 1.481 176.827 175.510 -0.273 0.000 1.019 363 N CA 1.314 54.323 53.050 -0.068 0.000 0.856 363 N CB -0.402 38.137 38.487 0.087 0.000 0.993 363 N HN 0.347 nan 8.380 nan 0.000 0.426 364 A N 1.060 123.618 122.820 -0.437 0.000 1.930 364 A HA -0.005 4.307 4.320 -0.013 0.000 0.217 364 A C 2.295 179.054 177.584 -1.376 0.000 1.175 364 A CA 0.685 52.121 52.037 -1.002 0.000 0.627 364 A CB -0.561 17.834 19.000 -1.008 0.000 0.815 364 A HN 0.194 nan 8.150 nan 0.000 0.443 365 I N -0.520 119.346 120.570 -1.173 0.000 2.163 365 I HA -0.270 3.892 4.170 -0.013 0.000 0.243 365 I C 2.536 178.202 176.117 -0.752 0.000 1.085 365 I CA 1.893 62.586 61.300 -1.012 0.000 1.347 365 I CB -0.335 37.179 38.000 -0.811 0.000 1.044 365 I HN 0.412 nan 8.210 nan 0.000 0.408 366 E N 1.421 121.337 120.200 -0.473 0.000 2.077 366 E HA -0.213 4.129 4.350 -0.013 0.000 0.193 366 E C 2.097 178.473 176.600 -0.373 0.000 0.989 366 E CA 1.730 57.987 56.400 -0.238 0.000 0.800 366 E CB -0.134 29.549 29.700 -0.028 0.000 0.746 366 E HN 0.438 nan 8.360 nan 0.000 0.452 367 A N -0.358 122.124 122.820 -0.564 0.000 1.897 367 A HA -0.068 4.244 4.320 -0.013 0.000 0.215 367 A C 1.853 179.279 177.584 -0.263 0.000 1.181 367 A CA 1.186 52.861 52.037 -0.604 0.000 0.620 367 A CB -0.592 17.515 19.000 -1.488 0.000 0.821 367 A HN 0.344 nan 8.150 nan 0.000 0.443 368 F N 0.250 119.892 119.950 -0.512 0.000 2.416 368 F HA 0.130 4.639 4.527 -0.030 0.000 0.296 368 F C 2.530 178.078 175.800 -0.420 0.000 1.099 368 F CA -0.070 57.750 58.000 -0.300 0.000 1.427 368 F CB -1.449 37.453 39.000 -0.163 0.000 1.079 368 F HN 0.258 nan 8.300 nan 0.000 0.536 369 G N 1.712 110.190 108.800 -0.537 0.000 2.491 369 G HA2 -0.243 3.709 3.960 -0.013 0.000 0.218 369 G HA3 -0.243 3.709 3.960 -0.013 0.000 0.218 369 G C -0.631 173.984 174.900 -0.475 0.000 1.180 369 G CA 0.749 45.201 45.100 -1.081 0.000 0.774 369 G HN 0.230 nan 8.290 nan 0.000 0.562 370 P HA 0.056 nan 4.420 nan 0.000 0.226 370 P C 1.679 178.981 177.300 0.004 0.000 1.153 370 P CA 0.644 63.777 63.100 0.055 0.000 0.777 370 P CB -0.009 31.742 31.700 0.085 0.000 0.794 371 L N -2.232 118.953 121.223 -0.063 0.000 2.354 371 L HA 0.116 4.448 4.340 -0.013 0.000 0.212 371 L C 1.010 177.796 176.870 -0.140 0.000 1.091 371 L CA 0.446 55.263 54.840 -0.037 0.000 0.828 371 L CB -0.182 41.919 42.059 0.070 0.000 0.973 371 L HN -0.104 nan 8.230 nan 0.000 0.461 372 L N 2.042 123.090 121.223 -0.292 0.000 2.506 372 L HA 0.250 4.582 4.340 -0.013 0.000 0.247 372 L C -1.501 175.221 176.870 -0.247 0.000 1.141 372 L CA -1.174 53.389 54.840 -0.462 0.000 0.973 372 L CB 0.898 42.332 42.059 -1.042 0.000 1.319 372 L HN -0.147 nan 8.230 nan 0.000 0.455 373 P HA -0.190 nan 4.420 nan 0.000 0.225 373 P C 1.002 178.391 177.300 0.147 0.000 1.148 373 P CA 1.033 64.190 63.100 0.095 0.000 0.779 373 P CB 0.223 31.970 31.700 0.079 0.000 0.780 374 E N -0.903 119.334 120.200 0.061 0.000 2.418 374 E HA -0.112 4.230 4.350 -0.013 0.000 0.197 374 E C 0.356 177.177 176.600 0.369 0.000 1.026 374 E CA 0.023 56.503 56.400 0.132 0.000 0.862 374 E CB -0.759 28.941 29.700 -0.001 0.000 0.799 374 E HN 0.114 nan 8.360 nan 0.000 0.518 375 F N 1.604 121.701 119.950 0.246 0.000 2.623 375 F HA 0.039 4.541 4.527 -0.042 0.000 0.383 375 F C 0.592 176.549 175.800 0.261 0.000 1.077 375 F CA -0.254 57.919 58.000 0.289 0.000 1.268 375 F CB 0.321 39.525 39.000 0.341 0.000 1.053 375 F HN 0.001 nan 8.300 nan 0.000 0.571 376 L N 4.554 125.962 121.223 0.309 0.000 2.492 376 L HA 0.589 4.921 4.340 -0.013 0.000 0.258 376 L C -0.198 176.482 176.870 -0.316 0.000 1.028 376 L CA -0.071 54.753 54.840 -0.026 0.000 0.900 376 L CB 0.817 42.743 42.059 -0.222 0.000 1.191 376 L HN 0.535 nan 8.230 nan 0.000 0.459 377 G N 1.149 109.572 108.800 -0.628 0.000 2.509 377 G HA2 0.838 4.790 3.960 -0.013 0.000 0.328 377 G HA3 0.838 4.790 3.960 -0.013 0.000 0.328 377 G C -0.546 173.708 174.900 -1.077 0.000 1.194 377 G CA -0.221 43.998 45.100 -1.469 0.000 0.967 377 G HN 0.927 nan 8.290 nan 0.000 0.488 378 G N -1.726 106.580 108.800 -0.822 0.000 2.441 378 G HA2 0.579 4.532 3.960 -0.013 0.000 0.294 378 G HA3 0.579 4.532 3.960 -0.013 0.000 0.294 378 G C -1.427 173.432 174.900 -0.067 0.000 1.393 378 G CA 0.375 45.037 45.100 -0.731 0.000 0.796 378 G HN 1.294 nan 8.290 nan 0.000 0.494 379 S N -1.544 114.195 115.700 0.065 0.000 2.564 379 S HA 0.686 5.148 4.470 -0.013 0.000 0.274 379 S C -0.032 174.669 174.600 0.167 0.000 1.124 379 S CA 0.384 58.677 58.200 0.155 0.000 0.869 379 S CB 1.551 64.871 63.200 0.199 0.000 1.105 379 S HN 2.009 nan 8.310 nan 0.000 0.472 380 A N 3.098 125.959 122.820 0.068 0.000 3.037 380 A HA 0.454 4.766 4.320 -0.013 0.000 0.272 380 A C 0.494 178.075 177.584 -0.005 0.000 1.723 380 A CA 0.396 52.455 52.037 0.036 0.000 1.413 380 A CB -1.498 17.475 19.000 -0.045 0.000 1.112 380 A HN 1.194 nan 8.150 nan 0.000 0.606 381 D N -0.271 120.167 120.400 0.064 0.000 2.870 381 D HA -0.167 4.465 4.640 -0.013 0.000 0.228 381 D C -0.062 176.232 176.300 -0.010 0.000 1.147 381 D CA 1.380 55.406 54.000 0.044 0.000 0.757 381 D CB -1.452 39.346 40.800 -0.005 0.000 1.091 381 D HN 0.509 nan 8.370 nan 0.000 0.429 382 L N -1.225 119.995 121.223 -0.005 0.000 3.347 382 L HA 0.530 4.862 4.340 -0.013 0.000 0.306 382 L C 2.046 178.951 176.870 0.058 0.000 1.301 382 L CA 0.161 54.963 54.840 -0.065 0.000 0.985 382 L CB 0.057 41.921 42.059 -0.324 0.000 1.400 382 L HN 0.159 nan 8.230 nan 0.000 0.601 383 A N 1.650 124.555 122.820 0.142 0.000 1.903 383 A HA -0.119 4.193 4.320 -0.013 0.000 0.219 383 A C -0.322 177.341 177.584 0.132 0.000 1.191 383 A CA 1.983 54.127 52.037 0.177 0.000 0.638 383 A CB -1.419 17.691 19.000 0.184 0.000 0.823 383 A HN 0.339 nan 8.150 nan 0.000 0.451 384 P HA 0.080 nan 4.420 nan 0.000 0.241 384 P C 0.955 178.346 177.300 0.151 0.000 1.191 384 P CA 1.216 64.382 63.100 0.110 0.000 0.771 384 P CB 0.436 32.190 31.700 0.090 0.000 0.929 385 S N -0.375 115.429 115.700 0.173 0.000 2.566 385 S HA 0.085 4.547 4.470 -0.013 0.000 0.234 385 S C 1.654 176.468 174.600 0.357 0.000 1.075 385 S CA 0.269 58.640 58.200 0.285 0.000 0.926 385 S CB -0.505 62.868 63.200 0.288 0.000 0.811 385 S HN 0.250 nan 8.310 nan 0.000 0.518 386 N N 1.376 120.220 118.700 0.239 0.000 2.409 386 N HA 0.201 4.933 4.740 -0.013 0.000 0.179 386 N C -0.391 175.261 175.510 0.236 0.000 1.032 386 N CA 0.315 53.521 53.050 0.260 0.000 0.898 386 N CB -0.088 38.514 38.487 0.192 0.000 0.971 386 N HN 0.141 nan 8.380 nan 0.000 0.441 387 L N 0.592 121.936 121.223 0.202 0.000 3.472 387 L HA -0.194 4.138 4.340 -0.013 0.000 0.485 387 L C 0.619 177.593 176.870 0.173 0.000 1.312 387 L CA 0.098 55.037 54.840 0.164 0.000 0.869 387 L CB -2.349 39.797 42.059 0.144 0.000 1.687 387 L HN 0.373 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 0.320 4.662 4.350 -0.013 0.000 0.252 388 T C 0.705 175.638 174.700 0.388 0.000 1.099 388 T CA -0.103 62.220 62.100 0.371 0.000 1.063 388 T CB 0.264 69.472 68.868 0.567 0.000 0.948 388 T HN 0.311 nan 8.240 nan 0.000 0.506 389 L N 3.162 124.477 121.223 0.153 0.000 2.326 389 L HA 0.478 4.810 4.340 -0.013 0.000 0.278 389 L C 0.240 177.198 176.870 0.146 0.000 1.092 389 L CA -1.174 53.665 54.840 -0.002 0.000 0.810 389 L CB 0.623 42.558 42.059 -0.206 0.000 1.153 389 L HN 0.454 nan 8.230 nan 0.000 0.439 390 W N 1.234 122.505 121.300 -0.048 0.000 2.869 390 W HA 0.391 5.030 4.660 -0.034 0.000 0.345 390 W C 0.915 177.413 176.519 -0.036 0.000 1.191 390 W CA -0.594 56.727 57.345 -0.040 0.000 1.104 390 W CB 0.609 30.049 29.460 -0.033 0.000 1.471 390 W HN 0.626 nan 8.180 nan 0.000 0.612 391 S N -0.003 115.661 115.700 -0.060 0.000 2.419 391 S HA -0.084 4.378 4.470 -0.013 0.000 0.235 391 S C 1.611 175.824 174.600 -0.645 0.000 1.019 391 S CA 1.534 59.582 58.200 -0.252 0.000 0.982 391 S CB -0.986 62.182 63.200 -0.053 0.000 0.789 391 S HN 0.810 nan 8.310 nan 0.000 0.490 392 G N 0.631 108.491 108.800 -1.566 0.000 3.141 392 G HA2 0.319 4.271 3.960 -0.013 0.000 0.218 392 G HA3 0.319 4.271 3.960 -0.013 0.000 0.218 392 G C 0.086 174.217 174.900 -1.281 0.000 1.170 392 G CA -0.383 43.737 45.100 -1.633 0.000 0.769 392 G HN 0.458 nan 8.290 nan 0.000 0.546 393 S N 0.259 115.233 115.700 -1.209 0.000 2.549 393 S HA 0.402 4.864 4.470 -0.013 0.000 0.283 393 S C 0.066 174.479 174.600 -0.312 0.000 1.320 393 S CA 0.235 58.120 58.200 -0.525 0.000 1.058 393 S CB 1.364 64.296 63.200 -0.446 0.000 0.882 393 S HN 0.298 nan 8.310 nan 0.000 0.498 394 K N 2.008 122.333 120.400 -0.125 0.000 2.578 394 K HA 0.566 4.878 4.320 -0.013 0.000 0.250 394 K C -0.697 175.909 176.600 0.009 0.000 0.955 394 K CA -0.415 55.826 56.287 -0.076 0.000 0.825 394 K CB 1.272 33.734 32.500 -0.062 0.000 1.151 394 K HN 0.587 nan 8.250 nan 0.000 0.432 395 A N 4.864 127.698 122.820 0.023 0.000 2.488 395 A HA 0.242 4.554 4.320 -0.013 0.000 0.249 395 A C 1.306 178.908 177.584 0.031 0.000 1.083 395 A CA -0.160 51.929 52.037 0.087 0.000 0.768 395 A CB -0.526 18.600 19.000 0.209 0.000 1.017 395 A HN 0.975 nan 8.150 nan 0.000 0.496 396 I N 0.983 121.542 120.570 -0.019 0.000 2.756 396 I HA -0.150 4.012 4.170 -0.013 0.000 0.262 396 I C 1.605 177.692 176.117 -0.050 0.000 1.225 396 I CA 1.501 62.767 61.300 -0.057 0.000 1.472 396 I CB -0.427 37.500 38.000 -0.120 0.000 1.094 396 I HN 0.742 nan 8.210 nan 0.000 0.454 397 N N 1.560 120.246 118.700 -0.023 0.000 2.457 397 N HA -0.165 4.567 4.740 -0.013 0.000 0.180 397 N C 1.292 176.793 175.510 -0.016 0.000 1.050 397 N CA 1.019 54.055 53.050 -0.024 0.000 0.906 397 N CB -0.199 38.283 38.487 -0.009 0.000 0.968 397 N HN 0.634 nan 8.380 nan 0.000 0.445 398 E N -0.273 119.926 120.200 -0.002 0.000 2.127 398 E HA 0.030 4.372 4.350 -0.013 0.000 0.191 398 E C -0.388 176.201 176.600 -0.018 0.000 0.964 398 E CA 0.419 56.814 56.400 -0.009 0.000 0.832 398 E CB 0.329 30.029 29.700 -0.000 0.000 0.790 398 E HN 0.188 nan 8.360 nan 0.000 0.465 399 D N -1.018 119.371 120.400 -0.018 0.000 2.736 399 D HA 0.249 4.881 4.640 -0.013 0.000 0.243 399 D C -0.018 176.268 176.300 -0.023 0.000 1.304 399 D CA -0.272 53.715 54.000 -0.021 0.000 0.934 399 D CB 1.664 42.452 40.800 -0.020 0.000 1.382 399 D HN 0.006 nan 8.370 nan 0.000 0.571 400 A N 3.045 125.848 122.820 -0.029 0.000 2.070 400 A HA 0.054 4.366 4.320 -0.013 0.000 0.220 400 A C 1.725 179.302 177.584 -0.011 0.000 1.159 400 A CA 1.662 53.679 52.037 -0.034 0.000 0.656 400 A CB -0.137 18.838 19.000 -0.042 0.000 0.800 400 A HN 0.564 nan 8.150 nan 0.000 0.453 401 A N -0.399 122.422 122.820 0.001 0.000 2.278 401 A HA 0.483 4.795 4.320 -0.013 0.000 0.212 401 A C 1.358 178.966 177.584 0.041 0.000 1.213 401 A CA 0.591 52.643 52.037 0.025 0.000 0.840 401 A CB -0.874 18.128 19.000 0.003 0.000 0.866 401 A HN 0.628 nan 8.150 nan 0.000 0.489 402 G N 0.322 109.136 108.800 0.024 0.000 2.525 402 G HA2 0.285 4.237 3.960 -0.013 0.000 0.276 402 G HA3 0.285 4.237 3.960 -0.013 0.000 0.276 402 G C 0.307 175.251 174.900 0.074 0.000 1.388 402 G CA 0.286 45.408 45.100 0.036 0.000 1.050 402 G HN 0.590 nan 8.290 nan 0.000 0.520 403 N N -3.042 115.715 118.700 0.095 0.000 2.142 403 N HA 0.122 4.854 4.740 -0.013 0.000 0.233 403 N C -0.933 174.639 175.510 0.104 0.000 1.335 403 N CA -0.500 52.642 53.050 0.153 0.000 0.837 403 N CB 0.146 38.816 38.487 0.305 0.000 1.238 403 N HN 0.463 nan 8.380 nan 0.000 0.501 404 Y N 0.612 120.840 120.300 -0.120 0.000 2.457 404 Y HA 0.649 5.217 4.550 0.030 0.000 0.343 404 Y C -1.524 174.188 175.900 -0.315 0.000 0.994 404 Y CA -1.132 56.838 58.100 -0.217 0.000 1.031 404 Y CB 1.602 39.946 38.460 -0.195 0.000 1.246 404 Y HN -0.039 nan 8.280 nan 0.000 0.449 405 I N 5.731 125.715 120.570 -0.976 0.000 2.418 405 I HA 0.245 4.407 4.170 -0.013 0.000 0.287 405 I C -0.822 174.783 176.117 -0.854 0.000 1.008 405 I CA -0.861 59.935 61.300 -0.840 0.000 1.104 405 I CB 1.274 38.586 38.000 -1.147 0.000 1.264 405 I HN 0.571 nan 8.210 nan 0.000 0.438 406 H N 6.802 125.702 119.070 -0.284 0.000 3.089 406 H HA 0.083 4.640 4.556 0.001 0.000 0.262 406 H C -0.099 175.120 175.328 -0.182 0.000 1.160 406 H CA 0.298 56.290 56.048 -0.092 0.000 1.482 406 H CB 0.533 30.304 29.762 0.013 0.000 1.511 406 H HN 0.565 nan 8.280 nan 0.000 0.483 407 Y N 1.923 122.206 120.300 -0.028 0.000 2.561 407 Y HA 0.014 4.509 4.550 -0.091 0.000 0.291 407 Y C 1.927 177.802 175.900 -0.041 0.000 1.141 407 Y CA 0.861 58.922 58.100 -0.064 0.000 1.303 407 Y CB 0.305 38.709 38.460 -0.093 0.000 1.015 407 Y HN 0.973 nan 8.280 nan 0.000 0.547 408 G N -0.080 108.795 108.800 0.125 0.000 2.752 408 G HA2 -0.268 3.684 3.960 -0.013 0.000 0.234 408 G HA3 -0.268 3.684 3.960 -0.013 0.000 0.234 408 G C -0.505 174.412 174.900 0.027 0.000 1.367 408 G CA -0.403 44.729 45.100 0.053 0.000 0.879 408 G HN 0.029 nan 8.290 nan 0.000 0.563 409 V N 1.418 121.322 119.914 -0.016 0.000 2.071 409 V HA 0.444 4.556 4.120 -0.013 0.000 0.254 409 V C 0.955 177.023 176.094 -0.044 0.000 1.456 409 V CA 0.823 63.086 62.300 -0.063 0.000 1.383 409 V CB -0.664 31.104 31.823 -0.091 0.000 1.433 409 V HN 0.561 nan 8.190 nan 0.000 0.499 410 R N 1.789 122.275 120.500 -0.024 0.000 2.684 410 R HA 0.267 4.599 4.340 -0.013 0.000 0.252 410 R C 0.267 176.574 176.300 0.012 0.000 1.628 410 R CA -0.338 55.769 56.100 0.011 0.000 1.622 410 R CB 0.886 31.188 30.300 0.003 0.000 1.418 410 R HN 0.407 nan 8.270 nan 0.000 0.697 411 E N 0.534 120.754 120.200 0.033 0.000 2.077 411 E HA -0.168 4.174 4.350 -0.013 0.000 0.193 411 E C 1.135 177.823 176.600 0.147 0.000 0.989 411 E CA 1.221 57.650 56.400 0.048 0.000 0.800 411 E CB -0.032 29.704 29.700 0.059 0.000 0.746 411 E HN 0.297 nan 8.360 nan 0.000 0.452 412 F N 0.981 120.949 119.950 0.029 0.000 2.113 412 F HA 0.048 4.564 4.527 -0.019 0.000 0.297 412 F C 2.196 177.983 175.800 -0.021 0.000 1.103 412 F CA 1.553 59.566 58.000 0.023 0.000 1.248 412 F CB -0.978 38.050 39.000 0.048 0.000 0.999 412 F HN 0.055 nan 8.300 nan 0.000 0.475 413 G N 0.620 109.432 108.800 0.019 0.000 2.446 413 G HA2 -0.341 3.611 3.960 -0.013 0.000 0.217 413 G HA3 -0.341 3.611 3.960 -0.013 0.000 0.217 413 G C 1.817 176.654 174.900 -0.106 0.000 1.168 413 G CA 0.974 46.005 45.100 -0.113 0.000 0.771 413 G HN 0.457 nan 8.290 nan 0.000 0.551 414 M N 0.599 120.094 119.600 -0.174 0.000 2.082 414 M HA -0.129 4.343 4.480 -0.013 0.000 0.258 414 M C 2.494 178.553 176.300 -0.402 0.000 1.069 414 M CA 2.351 57.305 55.300 -0.577 0.000 1.102 414 M CB -0.436 31.653 32.600 -0.851 0.000 1.336 414 M HN 0.205 nan 8.290 nan 0.000 0.404 415 T N 0.777 115.236 114.554 -0.158 0.000 2.812 415 T HA 0.036 4.378 4.350 -0.013 0.000 0.264 415 T C 1.835 176.533 174.700 -0.003 0.000 1.042 415 T CA 1.394 63.470 62.100 -0.040 0.000 1.140 415 T CB -0.463 68.464 68.868 0.098 0.000 0.870 415 T HN 0.603 nan 8.240 nan 0.000 0.445 416 A N 0.915 123.733 122.820 -0.005 0.000 1.969 416 A HA 0.082 4.394 4.320 -0.013 0.000 0.218 416 A C 2.256 179.823 177.584 -0.028 0.000 1.169 416 A CA 0.848 52.868 52.037 -0.027 0.000 0.635 416 A CB -0.712 18.208 19.000 -0.133 0.000 0.810 416 A HN 0.494 nan 8.150 nan 0.000 0.445 417 I N -0.239 120.310 120.570 -0.035 0.000 2.179 417 I HA -0.288 3.874 4.170 -0.013 0.000 0.242 417 I C 2.964 179.095 176.117 0.024 0.000 1.088 417 I CA 1.082 62.389 61.300 0.012 0.000 1.357 417 I CB -0.268 37.787 38.000 0.091 0.000 1.051 417 I HN 0.358 nan 8.210 nan 0.000 0.409 418 A N 0.814 123.638 122.820 0.005 0.000 1.940 418 A HA -0.231 4.081 4.320 -0.013 0.000 0.219 418 A C 2.003 179.610 177.584 0.038 0.000 1.176 418 A CA 1.938 53.986 52.037 0.020 0.000 0.631 418 A CB -0.684 18.305 19.000 -0.017 0.000 0.814 418 A HN 0.423 nan 8.150 nan 0.000 0.446 419 N N 0.318 119.039 118.700 0.036 0.000 2.104 419 N HA -0.122 4.610 4.740 -0.013 0.000 0.190 419 N C 1.829 177.375 175.510 0.059 0.000 1.024 419 N CA 1.539 54.620 53.050 0.052 0.000 0.853 419 N CB -0.893 37.625 38.487 0.051 0.000 1.008 419 N HN 0.476 nan 8.380 nan 0.000 0.424 420 G N 1.134 109.963 108.800 0.048 0.000 2.418 420 G HA2 -0.171 3.781 3.960 -0.013 0.000 0.217 420 G HA3 -0.171 3.781 3.960 -0.013 0.000 0.217 420 G C 1.660 176.615 174.900 0.092 0.000 1.158 420 G CA 0.450 45.587 45.100 0.062 0.000 0.771 420 G HN 0.279 nan 8.290 nan 0.000 0.545 421 I N 1.720 122.328 120.570 0.064 0.000 2.179 421 I HA -0.219 3.943 4.170 -0.013 0.000 0.242 421 I C 3.217 179.436 176.117 0.171 0.000 1.088 421 I CA 1.609 62.954 61.300 0.075 0.000 1.357 421 I CB -0.271 37.718 38.000 -0.018 0.000 1.051 421 I HN 0.354 nan 8.210 nan 0.000 0.409 422 S N 1.205 116.985 115.700 0.133 0.000 2.383 422 S HA -0.125 4.337 4.470 -0.013 0.000 0.227 422 S C 1.997 176.669 174.600 0.121 0.000 1.026 422 S CA 0.911 59.192 58.200 0.135 0.000 0.981 422 S CB -0.861 62.401 63.200 0.104 0.000 0.818 422 S HN 0.397 nan 8.310 nan 0.000 0.472 423 L N 0.874 122.163 121.223 0.111 0.000 2.141 423 L HA -0.077 4.255 4.340 -0.013 0.000 0.209 423 L C 3.028 179.950 176.870 0.087 0.000 1.094 423 L CA 1.568 56.460 54.840 0.086 0.000 0.763 423 L CB -0.720 41.385 42.059 0.077 0.000 0.908 423 L HN 0.498 nan 8.230 nan 0.000 0.437 424 H N 0.621 119.725 119.070 0.057 0.000 2.353 424 H HA -0.029 4.518 4.556 -0.014 0.000 0.300 424 H C 0.832 176.170 175.328 0.017 0.000 1.090 424 H CA 1.199 57.279 56.048 0.054 0.000 1.327 424 H CB 0.201 30.034 29.762 0.118 0.000 1.383 424 H HN 0.301 nan 8.280 nan 0.000 0.508 425 G N -2.157 106.730 108.800 0.145 0.000 2.692 425 G HA2 0.130 4.082 3.960 -0.013 0.000 0.686 425 G HA3 0.130 4.082 3.960 -0.013 0.000 0.686 425 G C 0.688 175.629 174.900 0.069 0.000 1.243 425 G CA 0.267 45.380 45.100 0.023 0.000 0.782 425 G HN 1.031 nan 8.290 nan 0.000 0.625 426 G N -1.065 107.643 108.800 -0.152 0.000 2.232 426 G HA2 0.085 4.037 3.960 -0.013 0.000 0.226 426 G HA3 0.085 4.037 3.960 -0.013 0.000 0.226 426 G C 0.276 174.789 174.900 -0.646 0.000 0.996 426 G CA 0.768 45.594 45.100 -0.458 0.000 0.626 426 G HN 1.698 nan 8.290 nan 0.000 0.509 427 F N -0.599 119.388 119.950 0.060 0.000 2.620 427 F HA 0.780 5.299 4.527 -0.013 0.000 0.320 427 F C 0.019 175.873 175.800 0.090 0.000 1.069 427 F CA -1.042 57.011 58.000 0.088 0.000 0.953 427 F CB 2.040 41.094 39.000 0.089 0.000 1.322 427 F HN 0.051 nan 8.300 nan 0.000 0.479 428 L N 4.939 126.381 121.223 0.366 0.000 2.353 428 L HA 0.523 4.855 4.340 -0.013 0.000 0.270 428 L C -2.678 174.430 176.870 0.397 0.000 1.003 428 L CA -1.919 53.112 54.840 0.320 0.000 0.862 428 L CB 1.547 43.770 42.059 0.274 0.000 1.221 428 L HN 0.245 nan 8.230 nan 0.000 0.430 429 P HA 0.216 nan 4.420 nan 0.000 0.284 429 P C -1.772 175.657 177.300 0.215 0.000 1.253 429 P CA -0.008 63.189 63.100 0.160 0.000 0.800 429 P CB 0.881 32.635 31.700 0.089 0.000 0.961 430 Y N -0.529 119.824 120.300 0.089 0.000 2.446 430 Y HA 0.786 5.407 4.550 0.118 0.000 0.345 430 Y C -0.227 175.670 175.900 -0.005 0.000 0.984 430 Y CA -1.021 57.096 58.100 0.028 0.000 1.058 430 Y CB 1.290 39.795 38.460 0.075 0.000 1.220 430 Y HN 0.462 nan 8.280 nan 0.000 0.455 431 T N -0.386 114.232 114.554 0.106 0.000 2.907 431 T HA 0.802 5.144 4.350 -0.013 0.000 0.290 431 T C -0.798 173.927 174.700 0.043 0.000 1.066 431 T CA -0.899 61.198 62.100 -0.005 0.000 1.012 431 T CB 1.679 70.470 68.868 -0.128 0.000 1.184 431 T HN 0.899 nan 8.240 nan 0.000 0.522 432 S N -0.459 115.274 115.700 0.056 0.000 2.542 432 S HA 0.713 5.175 4.470 -0.013 0.000 0.276 432 S C -1.135 173.547 174.600 0.137 0.000 1.148 432 S CA -0.324 57.949 58.200 0.122 0.000 0.886 432 S CB 1.720 65.028 63.200 0.179 0.000 1.109 432 S HN 1.272 nan 8.310 nan 0.000 0.458 433 T N 2.066 116.760 114.554 0.234 0.000 2.693 433 T HA 0.626 4.968 4.350 -0.013 0.000 0.304 433 T C -1.582 173.239 174.700 0.201 0.000 1.471 433 T CA -0.501 61.658 62.100 0.099 0.000 0.993 433 T CB 0.086 69.007 68.868 0.089 0.000 1.554 433 T HN 0.358 nan 8.240 nan 0.000 0.496 434 F N 2.398 122.424 119.950 0.127 0.000 2.563 434 F HA 0.258 4.780 4.527 -0.008 0.000 0.363 434 F C 1.572 177.308 175.800 -0.106 0.000 1.123 434 F CA -0.908 57.095 58.000 0.005 0.000 1.307 434 F CB 0.076 38.997 39.000 -0.132 0.000 1.115 434 F HN 0.477 nan 8.300 nan 0.000 0.592 435 L N 3.241 124.534 121.223 0.118 0.000 2.043 435 L HA -0.256 4.076 4.340 -0.013 0.000 0.212 435 L C 2.238 178.932 176.870 -0.292 0.000 1.075 435 L CA 1.736 56.507 54.840 -0.114 0.000 0.752 435 L CB -0.851 41.200 42.059 -0.014 0.000 0.891 435 L HN 0.739 nan 8.230 nan 0.000 0.432 436 M N -0.670 118.699 119.600 -0.385 0.000 2.108 436 M HA -0.248 4.224 4.480 -0.013 0.000 0.257 436 M C 1.596 177.605 176.300 -0.485 0.000 1.071 436 M CA 1.901 56.874 55.300 -0.546 0.000 1.093 436 M CB -0.633 31.418 32.600 -0.915 0.000 1.345 436 M HN 0.264 nan 8.290 nan 0.000 0.403 437 F N -1.348 118.532 119.950 -0.118 0.000 2.811 437 F HA 0.136 4.652 4.527 -0.018 0.000 0.301 437 F C 2.137 177.851 175.800 -0.143 0.000 1.151 437 F CA 0.067 57.971 58.000 -0.161 0.000 1.412 437 F CB -1.697 37.102 39.000 -0.336 0.000 1.113 437 F HN -0.002 nan 8.300 nan 0.000 0.579 438 V N 0.475 120.264 119.914 -0.208 0.000 2.453 438 V HA -0.295 3.817 4.120 -0.013 0.000 0.252 438 V C 2.069 178.105 176.094 -0.095 0.000 1.068 438 V CA 2.162 64.275 62.300 -0.313 0.000 1.070 438 V CB -0.184 31.245 31.823 -0.656 0.000 0.664 438 V HN 0.375 nan 8.190 nan 0.000 0.461 439 E N -1.281 118.914 120.200 -0.008 0.000 2.204 439 E HA -0.217 4.125 4.350 -0.013 0.000 0.195 439 E C 2.026 178.653 176.600 0.046 0.000 0.990 439 E CA 1.448 57.862 56.400 0.024 0.000 0.821 439 E CB -0.185 29.549 29.700 0.058 0.000 0.750 439 E HN 0.758 nan 8.360 nan 0.000 0.477 440 Y N 0.284 120.549 120.300 -0.058 0.000 2.293 440 Y HA -0.076 4.465 4.550 -0.014 0.000 0.291 440 Y C 2.116 177.858 175.900 -0.263 0.000 1.137 440 Y CA 1.058 59.096 58.100 -0.103 0.000 1.202 440 Y CB -0.075 38.380 38.460 -0.008 0.000 0.990 440 Y HN -0.012 nan 8.280 nan 0.000 0.537 441 A N -0.945 121.862 122.820 -0.021 0.000 2.423 441 A HA 0.180 4.492 4.320 -0.013 0.000 0.246 441 A C 1.929 179.417 177.584 -0.160 0.000 1.278 441 A CA -0.054 51.946 52.037 -0.063 0.000 0.903 441 A CB -0.301 18.779 19.000 0.133 0.000 0.997 441 A HN 0.135 nan 8.150 nan 0.000 0.510 442 R N 1.660 122.019 120.500 -0.236 0.000 2.096 442 R HA -0.166 4.166 4.340 -0.013 0.000 0.240 442 R C 1.726 177.969 176.300 -0.095 0.000 1.139 442 R CA 2.298 58.315 56.100 -0.139 0.000 0.952 442 R CB -0.889 29.328 30.300 -0.139 0.000 0.854 442 R HN 0.655 nan 8.270 nan 0.000 0.436 443 N N -0.508 118.087 118.700 -0.174 0.000 2.309 443 N HA -0.096 4.636 4.740 -0.013 0.000 0.182 443 N C 1.253 176.847 175.510 0.140 0.000 1.018 443 N CA 1.075 54.118 53.050 -0.012 0.000 0.876 443 N CB 0.045 38.536 38.487 0.006 0.000 0.972 443 N HN 0.356 nan 8.380 nan 0.000 0.434 444 A N 0.483 123.461 122.820 0.263 0.000 1.968 444 A HA -0.021 4.291 4.320 -0.013 0.000 0.217 444 A C 2.374 180.056 177.584 0.163 0.000 1.169 444 A CA 0.753 52.963 52.037 0.289 0.000 0.638 444 A CB -0.493 18.750 19.000 0.406 0.000 0.812 444 A HN 0.150 nan 8.150 nan 0.000 0.446 445 V N 0.120 120.114 119.914 0.134 0.000 2.295 445 V HA -0.273 3.839 4.120 -0.013 0.000 0.246 445 V C 2.623 178.774 176.094 0.095 0.000 1.049 445 V CA 2.318 64.689 62.300 0.119 0.000 1.024 445 V CB -0.811 31.086 31.823 0.123 0.000 0.648 445 V HN 0.658 nan 8.190 nan 0.000 0.447 446 R N -0.676 119.868 120.500 0.074 0.000 2.091 446 R HA -0.181 4.151 4.340 -0.013 0.000 0.238 446 R C 2.320 178.663 176.300 0.072 0.000 1.136 446 R CA 1.680 57.818 56.100 0.063 0.000 0.959 446 R CB -0.182 30.145 30.300 0.044 0.000 0.856 446 R HN 0.315 nan 8.270 nan 0.000 0.437 447 M N -0.093 119.558 119.600 0.086 0.000 2.175 447 M HA -0.065 4.407 4.480 -0.013 0.000 0.264 447 M C 2.364 178.712 176.300 0.080 0.000 1.063 447 M CA 1.513 56.863 55.300 0.084 0.000 1.119 447 M CB -0.991 31.666 32.600 0.095 0.000 1.377 447 M HN 0.272 nan 8.290 nan 0.000 0.415 448 A N 0.239 123.110 122.820 0.085 0.000 1.902 448 A HA -0.033 4.279 4.320 -0.013 0.000 0.217 448 A C 2.434 180.064 177.584 0.077 0.000 1.181 448 A CA 2.167 54.252 52.037 0.080 0.000 0.623 448 A CB -0.868 18.181 19.000 0.082 0.000 0.818 448 A HN 0.471 nan 8.150 nan 0.000 0.443 449 A N -0.531 122.335 122.820 0.078 0.000 1.873 449 A HA -0.003 4.309 4.320 -0.013 0.000 0.215 449 A C 2.127 179.752 177.584 0.068 0.000 1.186 449 A CA 1.687 53.769 52.037 0.075 0.000 0.616 449 A CB -0.676 18.368 19.000 0.073 0.000 0.823 449 A HN 0.716 nan 8.150 nan 0.000 0.442 450 L N -0.420 120.843 121.223 0.066 0.000 2.042 450 L HA -0.087 4.245 4.340 -0.013 0.000 0.210 450 L C 2.248 179.159 176.870 0.068 0.000 1.076 450 L CA 2.069 56.947 54.840 0.064 0.000 0.749 450 L CB -0.436 41.661 42.059 0.063 0.000 0.893 450 L HN 0.438 nan 8.230 nan 0.000 0.432 451 M N -0.752 118.891 119.600 0.071 0.000 2.618 451 M HA -0.007 4.465 4.480 -0.013 0.000 0.240 451 M C 0.247 176.587 176.300 0.067 0.000 1.123 451 M CA 0.303 55.646 55.300 0.072 0.000 1.060 451 M CB -0.044 32.599 32.600 0.072 0.000 1.535 451 M HN 0.140 nan 8.290 nan 0.000 0.507 452 K N 0.982 121.421 120.400 0.064 0.000 3.096 452 K HA -0.148 4.164 4.320 -0.013 0.000 0.266 452 K C -0.644 175.991 176.600 0.057 0.000 1.043 452 K CA 0.419 56.741 56.287 0.059 0.000 0.758 452 K CB -1.324 31.208 32.500 0.052 0.000 1.260 452 K HN 0.393 nan 8.250 nan 0.000 0.481 453 Q N 0.974 120.811 119.800 0.063 0.000 2.235 453 Q HA 0.209 4.541 4.340 -0.013 0.000 0.250 453 Q C 0.079 176.118 176.000 0.065 0.000 0.909 453 Q CA -0.379 55.462 55.803 0.063 0.000 0.910 453 Q CB 1.517 30.296 28.738 0.068 0.000 1.223 453 Q HN 0.236 nan 8.270 nan 0.000 0.432 454 R N 2.239 122.776 120.500 0.062 0.000 2.242 454 R HA 0.151 4.483 4.340 -0.013 0.000 0.334 454 R C -0.652 175.699 176.300 0.085 0.000 1.071 454 R CA 0.215 56.354 56.100 0.065 0.000 0.922 454 R CB 0.448 30.779 30.300 0.052 0.000 1.023 454 R HN 0.626 nan 8.270 nan 0.000 0.458 455 Q N 3.703 123.550 119.800 0.078 0.000 2.295 455 Q HA 0.235 4.567 4.340 -0.013 0.000 0.268 455 Q C -1.834 174.186 176.000 0.034 0.000 1.010 455 Q CA -0.781 55.069 55.803 0.080 0.000 0.856 455 Q CB 2.309 31.084 28.738 0.063 0.000 1.349 455 Q HN 0.439 nan 8.270 nan 0.000 0.412 456 V N 4.928 124.858 119.914 0.026 0.000 2.407 456 V HA 0.422 4.534 4.120 -0.013 0.000 0.278 456 V C -0.139 175.838 176.094 -0.194 0.000 1.037 456 V CA -0.166 62.041 62.300 -0.155 0.000 0.900 456 V CB 1.231 32.837 31.823 -0.362 0.000 0.983 456 V HN 0.808 nan 8.190 nan 0.000 0.459 457 M N 5.395 124.799 119.600 -0.327 0.000 2.072 457 M HA 0.423 4.895 4.480 -0.013 0.000 0.331 457 M C -0.847 174.983 176.300 -0.783 0.000 1.004 457 M CA -0.457 54.512 55.300 -0.553 0.000 0.952 457 M CB 1.690 33.934 32.600 -0.593 0.000 1.511 457 M HN 0.332 nan 8.290 nan 0.000 0.422 458 V N 4.591 124.176 119.914 -0.548 0.000 2.320 458 V HA 0.213 4.325 4.120 -0.013 0.000 0.265 458 V C -1.077 174.935 176.094 -0.138 0.000 1.048 458 V CA -0.392 61.736 62.300 -0.287 0.000 0.865 458 V CB -0.398 31.408 31.823 -0.028 0.000 1.043 458 V HN 0.527 nan 8.190 nan 0.000 0.474 459 Y N 3.143 123.487 120.300 0.073 0.000 2.464 459 Y HA 0.494 5.045 4.550 0.002 0.000 0.326 459 Y C 0.924 176.916 175.900 0.153 0.000 0.969 459 Y CA -1.217 56.947 58.100 0.106 0.000 1.270 459 Y CB 1.390 39.889 38.460 0.066 0.000 1.103 459 Y HN 0.700 nan 8.280 nan 0.000 0.491 460 T N -1.713 113.090 114.554 0.414 0.000 2.862 460 T HA 0.415 4.757 4.350 -0.013 0.000 0.276 460 T C -0.497 174.498 174.700 0.491 0.000 0.974 460 T CA -0.531 61.831 62.100 0.436 0.000 0.966 460 T CB 0.576 69.781 68.868 0.563 0.000 1.072 460 T HN 0.687 nan 8.240 nan 0.000 0.538 461 H N 0.200 119.335 119.070 0.107 0.000 2.847 461 H HA -0.074 4.473 4.556 -0.015 0.000 0.336 461 H C 0.494 175.790 175.328 -0.054 0.000 1.221 461 H CA 0.804 56.826 56.048 -0.044 0.000 1.162 461 H CB -1.784 27.800 29.762 -0.297 0.000 1.566 461 H HN 0.834 nan 8.280 nan 0.000 0.430 462 D N -0.949 119.476 120.400 0.043 0.000 2.349 462 D HA 0.048 4.680 4.640 -0.013 0.000 0.215 462 D C 0.886 177.173 176.300 -0.022 0.000 1.016 462 D CA 0.850 54.866 54.000 0.027 0.000 0.870 462 D CB 0.422 41.249 40.800 0.046 0.000 0.917 462 D HN 0.507 nan 8.370 nan 0.000 0.524 463 S N -0.618 115.054 115.700 -0.048 0.000 2.757 463 S HA 0.269 4.731 4.470 -0.013 0.000 0.285 463 S C 1.197 175.710 174.600 -0.145 0.000 1.196 463 S CA -0.396 57.750 58.200 -0.090 0.000 0.856 463 S CB -0.060 63.097 63.200 -0.071 0.000 1.212 463 S HN 0.035 nan 8.310 nan 0.000 0.516 464 I N -0.526 119.905 120.570 -0.230 0.000 2.623 464 I HA 0.131 4.293 4.170 -0.013 0.000 0.261 464 I C 1.919 177.768 176.117 -0.446 0.000 1.204 464 I CA 1.614 62.722 61.300 -0.321 0.000 1.444 464 I CB -1.180 36.592 38.000 -0.380 0.000 1.094 464 I HN 0.730 nan 8.210 nan 0.000 0.451 465 G N 2.633 111.200 108.800 -0.389 0.000 2.535 465 G HA2 -0.151 3.801 3.960 -0.013 0.000 0.218 465 G HA3 -0.151 3.801 3.960 -0.013 0.000 0.218 465 G C 1.529 176.365 174.900 -0.107 0.000 1.122 465 G CA 0.922 45.917 45.100 -0.175 0.000 0.769 465 G HN 0.639 nan 8.290 nan 0.000 0.549 466 L N -1.331 119.815 121.223 -0.129 0.000 2.395 466 L HA 0.456 4.788 4.340 -0.013 0.000 0.218 466 L C 1.566 178.386 176.870 -0.084 0.000 1.130 466 L CA 0.796 55.575 54.840 -0.102 0.000 0.826 466 L CB -0.844 41.171 42.059 -0.073 0.000 0.941 466 L HN 0.404 nan 8.230 nan 0.000 0.451 467 G N 0.282 109.015 108.800 -0.111 0.000 2.527 467 G HA2 -0.391 3.561 3.960 -0.013 0.000 0.262 467 G HA3 -0.391 3.561 3.960 -0.013 0.000 0.262 467 G C 0.641 175.501 174.900 -0.068 0.000 1.153 467 G CA 0.468 45.517 45.100 -0.086 0.000 0.954 467 G HN 0.360 nan 8.290 nan 0.000 0.552 468 E N 1.030 121.198 120.200 -0.054 0.000 2.265 468 E HA 0.045 4.387 4.350 -0.013 0.000 0.196 468 E C 1.937 178.490 176.600 -0.080 0.000 0.996 468 E CA 1.258 57.628 56.400 -0.050 0.000 0.832 468 E CB -0.160 29.518 29.700 -0.036 0.000 0.756 468 E HN 0.461 nan 8.360 nan 0.000 0.491 469 D N -0.143 120.180 120.400 -0.128 0.000 2.221 469 D HA -0.025 4.607 4.640 -0.013 0.000 0.204 469 D C 1.094 177.283 176.300 -0.185 0.000 0.982 469 D CA 1.360 55.211 54.000 -0.248 0.000 0.857 469 D CB -0.242 40.283 40.800 -0.457 0.000 0.934 469 D HN 0.247 nan 8.370 nan 0.000 0.475 470 G N -0.035 108.715 108.800 -0.084 0.000 2.698 470 G HA2 -0.199 3.753 3.960 -0.013 0.000 0.225 470 G HA3 -0.199 3.753 3.960 -0.013 0.000 0.225 470 G C -1.934 172.982 174.900 0.027 0.000 1.345 470 G CA -0.126 44.964 45.100 -0.017 0.000 0.871 470 G HN -0.013 nan 8.290 nan 0.000 0.540 471 P HA -0.096 nan 4.420 nan 0.000 0.222 471 P C 1.895 179.216 177.300 0.035 0.000 1.147 471 P CA 2.756 65.886 63.100 0.050 0.000 0.790 471 P CB -0.378 31.345 31.700 0.040 0.000 0.780 472 T N -4.790 109.812 114.554 0.081 0.000 2.995 472 T HA -0.102 4.240 4.350 -0.013 0.000 0.269 472 T C 1.485 176.271 174.700 0.144 0.000 1.091 472 T CA 1.175 63.353 62.100 0.129 0.000 1.128 472 T CB -0.906 68.098 68.868 0.227 0.000 0.891 472 T HN 0.155 nan 8.240 nan 0.000 0.492 473 H N 0.556 119.595 119.070 -0.052 0.000 2.681 473 H HA 0.399 4.947 4.556 -0.012 0.000 0.268 473 H C 0.616 175.819 175.328 -0.209 0.000 0.967 473 H CA -0.038 55.910 56.048 -0.168 0.000 1.233 473 H CB 0.175 29.860 29.762 -0.129 0.000 1.445 473 H HN 0.437 nan 8.280 nan 0.000 0.494 474 Q N 2.261 122.056 119.800 -0.007 0.000 2.323 474 Q HA 0.187 4.519 4.340 -0.013 0.000 0.257 474 Q C -2.429 173.533 176.000 -0.063 0.000 1.022 474 Q CA -1.993 53.777 55.803 -0.055 0.000 0.919 474 Q CB 1.019 29.726 28.738 -0.052 0.000 1.220 474 Q HN 0.172 nan 8.270 nan 0.000 0.427 475 P HA -0.057 nan 4.420 nan 0.000 0.269 475 P C -0.296 176.968 177.300 -0.060 0.000 1.209 475 P CA 0.065 63.120 63.100 -0.076 0.000 0.776 475 P CB 1.084 32.735 31.700 -0.083 0.000 0.876 476 V N 1.471 121.361 119.914 -0.039 0.000 3.279 476 V HA 0.024 4.136 4.120 -0.013 0.000 0.213 476 V C 1.667 177.742 176.094 -0.032 0.000 1.335 476 V CA 0.625 62.896 62.300 -0.048 0.000 1.317 476 V CB -0.293 31.487 31.823 -0.072 0.000 1.209 476 V HN 0.568 nan 8.190 nan 0.000 0.525 477 E N 0.121 120.303 120.200 -0.030 0.000 2.481 477 E HA -0.022 4.320 4.350 -0.013 0.000 0.198 477 E C 1.500 178.075 176.600 -0.042 0.000 1.027 477 E CA 0.236 56.619 56.400 -0.028 0.000 0.900 477 E CB 0.450 30.135 29.700 -0.026 0.000 0.993 477 E HN 0.491 nan 8.360 nan 0.000 0.482 478 Q N 0.972 120.741 119.800 -0.052 0.000 2.079 478 Q HA -0.020 4.312 4.340 -0.013 0.000 0.200 478 Q C 2.320 178.271 176.000 -0.081 0.000 0.974 478 Q CA 1.519 57.279 55.803 -0.071 0.000 0.840 478 Q CB -0.377 28.303 28.738 -0.096 0.000 0.898 478 Q HN 0.151 nan 8.270 nan 0.000 0.430 479 V N 0.773 120.636 119.914 -0.084 0.000 2.295 479 V HA -0.288 3.824 4.120 -0.013 0.000 0.246 479 V C 2.170 178.139 176.094 -0.209 0.000 1.049 479 V CA 1.795 64.027 62.300 -0.113 0.000 1.024 479 V CB -1.196 30.568 31.823 -0.098 0.000 0.648 479 V HN 0.428 nan 8.190 nan 0.000 0.447 480 A N -0.604 122.071 122.820 -0.242 0.000 1.940 480 A HA -0.258 4.054 4.320 -0.013 0.000 0.219 480 A C 2.561 180.057 177.584 -0.146 0.000 1.176 480 A CA 2.270 54.114 52.037 -0.321 0.000 0.631 480 A CB -0.761 18.155 19.000 -0.140 0.000 0.814 480 A HN 0.503 nan 8.150 nan 0.000 0.446 481 S N -0.605 115.044 115.700 -0.085 0.000 2.368 481 S HA -0.088 4.374 4.470 -0.013 0.000 0.225 481 S C 1.915 176.492 174.600 -0.039 0.000 1.030 481 S CA 1.413 59.586 58.200 -0.045 0.000 0.999 481 S CB -0.456 62.719 63.200 -0.040 0.000 0.844 481 S HN 0.501 nan 8.310 nan 0.000 0.459 482 L N 0.714 121.905 121.223 -0.053 0.000 2.056 482 L HA 0.004 4.336 4.340 -0.013 0.000 0.207 482 L C 2.901 179.751 176.870 -0.034 0.000 1.078 482 L CA 1.205 56.032 54.840 -0.021 0.000 0.749 482 L CB -0.428 41.633 42.059 0.004 0.000 0.901 482 L HN 0.241 nan 8.230 nan 0.000 0.433 483 R N -0.186 120.252 120.500 -0.104 0.000 2.120 483 R HA -0.116 4.216 4.340 -0.013 0.000 0.234 483 R C 1.865 178.169 176.300 0.007 0.000 1.123 483 R CA 1.558 57.596 56.100 -0.104 0.000 0.975 483 R CB -0.303 29.803 30.300 -0.322 0.000 0.866 483 R HN 0.401 nan 8.270 nan 0.000 0.446 484 V N -2.206 117.721 119.914 0.022 0.000 3.633 484 V HA 0.134 4.246 4.120 -0.013 0.000 0.283 484 V C 0.308 176.421 176.094 0.031 0.000 1.305 484 V CA 0.080 62.409 62.300 0.050 0.000 1.153 484 V CB 0.303 32.162 31.823 0.059 0.000 0.950 484 V HN -0.083 nan 8.190 nan 0.000 0.432 485 T N 4.118 118.688 114.554 0.026 0.000 2.749 485 T HA 0.397 4.739 4.350 -0.013 0.000 0.295 485 T C -2.409 172.316 174.700 0.041 0.000 0.936 485 T CA -0.620 61.498 62.100 0.031 0.000 1.060 485 T CB 1.065 69.953 68.868 0.033 0.000 0.904 485 T HN 0.331 nan 8.240 nan 0.000 0.500 486 P HA 0.088 nan 4.420 nan 0.000 0.264 486 P C 0.670 178.003 177.300 0.055 0.000 1.183 486 P CA 0.270 63.397 63.100 0.044 0.000 0.763 486 P CB 0.227 31.950 31.700 0.038 0.000 0.807 487 N N 0.178 118.915 118.700 0.063 0.000 2.778 487 N HA -0.220 4.512 4.740 -0.013 0.000 0.249 487 N C -0.242 175.323 175.510 0.091 0.000 1.069 487 N CA 0.899 53.995 53.050 0.076 0.000 0.831 487 N CB -1.290 37.238 38.487 0.069 0.000 1.142 487 N HN 0.370 nan 8.380 nan 0.000 0.573 488 M N 0.378 120.030 119.600 0.086 0.000 2.249 488 M HA 0.422 4.894 4.480 -0.013 0.000 0.351 488 M C -0.056 176.314 176.300 0.116 0.000 1.180 488 M CA -0.152 55.207 55.300 0.098 0.000 1.127 488 M CB 1.397 34.043 32.600 0.077 0.000 1.546 488 M HN 0.111 nan 8.290 nan 0.000 0.461 489 S N 2.431 118.229 115.700 0.164 0.000 2.454 489 S HA 0.804 5.266 4.470 -0.013 0.000 0.306 489 S C -1.182 173.525 174.600 0.179 0.000 1.100 489 S CA -0.507 57.814 58.200 0.201 0.000 1.087 489 S CB 0.755 64.214 63.200 0.431 0.000 1.019 489 S HN 0.791 nan 8.310 nan 0.000 0.480 490 T N 4.817 119.386 114.554 0.025 0.000 2.937 490 T HA 0.464 4.806 4.350 -0.013 0.000 0.297 490 T C -1.625 172.971 174.700 -0.173 0.000 0.991 490 T CA -0.317 61.794 62.100 0.018 0.000 0.990 490 T CB 0.444 69.290 68.868 -0.038 0.000 0.991 490 T HN 0.629 nan 8.240 nan 0.000 0.440 491 W N 2.188 123.459 121.300 -0.048 0.000 2.600 491 W HA 0.591 5.244 4.660 -0.011 0.000 0.325 491 W C 0.406 176.912 176.519 -0.021 0.000 1.034 491 W CA -0.970 56.343 57.345 -0.052 0.000 1.226 491 W CB 1.356 30.768 29.460 -0.079 0.000 1.379 491 W HN 0.392 nan 8.180 nan 0.000 0.466 492 R N 5.156 125.738 120.500 0.135 0.000 2.477 492 R HA 0.316 4.648 4.340 -0.013 0.000 0.285 492 R C -2.477 173.896 176.300 0.122 0.000 1.415 492 R CA -1.699 54.465 56.100 0.107 0.000 1.446 492 R CB 0.632 30.964 30.300 0.052 0.000 1.110 492 R HN 0.090 nan 8.270 nan 0.000 0.590 493 P HA 0.002 nan 4.420 nan 0.000 0.271 493 P C 0.740 178.095 177.300 0.091 0.000 1.216 493 P CA -0.230 62.968 63.100 0.162 0.000 0.776 493 P CB 1.156 32.954 31.700 0.164 0.000 0.881 494 C N 0.728 120.074 119.300 0.078 0.000 2.673 494 C HA 0.233 4.685 4.460 -0.013 0.000 0.264 494 C C 0.415 175.417 174.990 0.019 0.000 1.304 494 C CA 0.190 59.224 59.018 0.027 0.000 1.727 494 C CB -1.370 26.371 27.740 0.003 0.000 1.932 494 C HN 0.656 nan 8.230 nan 0.000 0.563 495 D N -0.808 119.616 120.400 0.041 0.000 2.851 495 D HA 0.113 4.745 4.640 -0.013 0.000 0.339 495 D C 0.725 177.043 176.300 0.031 0.000 1.347 495 D CA -0.098 53.916 54.000 0.023 0.000 0.888 495 D CB 0.266 41.073 40.800 0.010 0.000 1.431 495 D HN 0.261 nan 8.370 nan 0.000 0.509 496 Q N -0.342 119.463 119.800 0.008 0.000 2.291 496 Q HA -0.013 4.319 4.340 -0.013 0.000 0.205 496 Q C 1.197 177.184 176.000 -0.022 0.000 0.970 496 Q CA 1.528 57.330 55.803 -0.002 0.000 0.876 496 Q CB -0.316 28.404 28.738 -0.030 0.000 0.935 496 Q HN 0.286 nan 8.270 nan 0.000 0.455 497 V N 1.541 121.440 119.914 -0.025 0.000 2.302 497 V HA -0.179 3.933 4.120 -0.013 0.000 0.243 497 V C 2.095 178.201 176.094 0.020 0.000 1.036 497 V CA 1.926 64.202 62.300 -0.039 0.000 1.020 497 V CB -0.572 31.228 31.823 -0.038 0.000 0.657 497 V HN 0.363 nan 8.190 nan 0.000 0.453 498 E N 0.543 120.783 120.200 0.066 0.000 2.153 498 E HA -0.174 4.168 4.350 -0.013 0.000 0.194 498 E C 2.395 179.064 176.600 0.116 0.000 0.988 498 E CA 1.512 57.986 56.400 0.124 0.000 0.811 498 E CB -0.185 29.626 29.700 0.185 0.000 0.746 498 E HN 0.527 nan 8.360 nan 0.000 0.466 499 S N 0.768 116.530 115.700 0.104 0.000 2.368 499 S HA -0.156 4.306 4.470 -0.013 0.000 0.225 499 S C 2.126 176.830 174.600 0.173 0.000 1.030 499 S CA 1.048 59.328 58.200 0.134 0.000 0.999 499 S CB -0.114 63.166 63.200 0.132 0.000 0.844 499 S HN 0.390 nan 8.310 nan 0.000 0.459 500 A N 0.977 123.879 122.820 0.136 0.000 1.929 500 A HA 0.015 4.327 4.320 -0.013 0.000 0.216 500 A C 2.305 180.020 177.584 0.218 0.000 1.176 500 A CA 1.140 53.297 52.037 0.201 0.000 0.628 500 A CB -0.766 18.314 19.000 0.134 0.000 0.816 500 A HN 0.332 nan 8.150 nan 0.000 0.444 501 V N -0.057 119.915 119.914 0.096 0.000 2.343 501 V HA -0.262 3.850 4.120 -0.013 0.000 0.247 501 V C 3.040 179.044 176.094 -0.150 0.000 1.051 501 V CA 1.964 64.278 62.300 0.022 0.000 1.036 501 V CB -1.163 30.657 31.823 -0.006 0.000 0.654 501 V HN 0.606 nan 8.190 nan 0.000 0.451 502 A N -1.474 121.184 122.820 -0.270 0.000 1.898 502 A HA -0.241 4.071 4.320 -0.013 0.000 0.216 502 A C 1.968 179.371 177.584 -0.302 0.000 1.181 502 A CA 1.695 53.319 52.037 -0.689 0.000 0.620 502 A CB -0.838 17.933 19.000 -0.382 0.000 0.819 502 A HN 0.653 nan 8.150 nan 0.000 0.442 503 W N 0.292 121.546 121.300 -0.078 0.000 2.358 503 W HA -0.149 4.471 4.660 -0.067 0.000 0.303 503 W C 2.455 179.171 176.519 0.329 0.000 1.208 503 W CA 1.947 59.347 57.345 0.093 0.000 1.274 503 W CB 0.103 29.568 29.460 0.008 0.000 1.138 503 W HN 0.327 nan 8.180 nan 0.000 0.515 504 K N -0.715 120.070 120.400 0.641 0.000 2.026 504 K HA -0.295 4.017 4.320 -0.013 0.000 0.208 504 K C 2.020 178.779 176.600 0.265 0.000 1.048 504 K CA 1.781 58.376 56.287 0.512 0.000 0.929 504 K CB -0.845 31.873 32.500 0.364 0.000 0.713 504 K HN 0.211 nan 8.250 nan 0.000 0.439 505 Y N 0.776 121.055 120.300 -0.035 0.000 2.128 505 Y HA -0.203 4.337 4.550 -0.017 0.000 0.284 505 Y C 2.115 177.979 175.900 -0.060 0.000 1.154 505 Y CA 2.106 60.129 58.100 -0.129 0.000 1.149 505 Y CB -0.678 37.498 38.460 -0.473 0.000 0.976 505 Y HN 0.197 nan 8.280 nan 0.000 0.505 506 G N -0.383 108.483 108.800 0.110 0.000 2.459 506 G HA2 -0.292 3.660 3.960 -0.013 0.000 0.217 506 G HA3 -0.292 3.660 3.960 -0.013 0.000 0.217 506 G C 1.636 176.580 174.900 0.075 0.000 1.183 506 G CA 1.980 47.116 45.100 0.061 0.000 0.776 506 G HN 0.518 nan 8.290 nan 0.000 0.552 507 V N -1.629 118.391 119.914 0.177 0.000 2.626 507 V HA 0.054 4.166 4.120 -0.013 0.000 0.252 507 V C 1.996 178.063 176.094 -0.045 0.000 1.067 507 V CA 2.173 64.545 62.300 0.121 0.000 1.081 507 V CB -0.447 31.458 31.823 0.137 0.000 0.686 507 V HN 0.438 nan 8.190 nan 0.000 0.468 508 E N 0.335 120.506 120.200 -0.050 0.000 2.474 508 E HA 0.111 4.453 4.350 -0.013 0.000 0.194 508 E C 1.145 177.663 176.600 -0.137 0.000 1.041 508 E CA -0.288 56.052 56.400 -0.100 0.000 0.874 508 E CB 0.189 29.853 29.700 -0.060 0.000 0.914 508 E HN 0.558 nan 8.360 nan 0.000 0.498 509 R N 1.893 122.305 120.500 -0.146 0.000 2.248 509 R HA 0.041 4.373 4.340 -0.013 0.000 0.337 509 R C 0.793 177.061 176.300 -0.052 0.000 1.085 509 R CA 0.101 56.115 56.100 -0.143 0.000 0.934 509 R CB 0.263 30.487 30.300 -0.127 0.000 1.034 509 R HN 0.123 nan 8.270 nan 0.000 0.465 510 Q N 1.638 121.410 119.800 -0.047 0.000 2.389 510 Q HA -0.069 4.263 4.340 -0.013 0.000 0.204 510 Q C -0.106 175.896 176.000 0.004 0.000 0.944 510 Q CA 0.916 56.706 55.803 -0.021 0.000 0.908 510 Q CB 0.489 29.211 28.738 -0.027 0.000 1.002 510 Q HN 0.690 nan 8.270 nan 0.000 0.493 511 D N -1.018 119.389 120.400 0.011 0.000 2.571 511 D HA 0.297 4.929 4.640 -0.013 0.000 0.239 511 D C 0.338 176.667 176.300 0.049 0.000 1.267 511 D CA -0.142 53.876 54.000 0.029 0.000 0.823 511 D CB 0.626 41.440 40.800 0.024 0.000 1.056 511 D HN 0.111 nan 8.370 nan 0.000 0.494 512 G N 0.134 108.968 108.800 0.057 0.000 2.338 512 G HA2 0.398 4.350 3.960 -0.013 0.000 0.295 512 G HA3 0.398 4.350 3.960 -0.013 0.000 0.295 512 G C -3.451 171.502 174.900 0.088 0.000 1.461 512 G CA -1.046 44.100 45.100 0.077 0.000 0.817 512 G HN -0.060 nan 8.290 nan 0.000 0.556 513 P HA 0.553 nan 4.420 nan 0.000 0.278 513 P C -0.762 176.612 177.300 0.123 0.000 1.266 513 P CA -0.155 63.000 63.100 0.091 0.000 0.807 513 P CB 1.719 33.468 31.700 0.082 0.000 1.094 514 T N 0.060 114.666 114.554 0.088 0.000 2.949 514 T HA 0.562 4.904 4.350 -0.013 0.000 0.300 514 T C -0.556 174.149 174.700 0.008 0.000 0.988 514 T CA -0.325 61.852 62.100 0.128 0.000 0.993 514 T CB 1.083 70.035 68.868 0.140 0.000 0.984 514 T HN 0.474 nan 8.240 nan 0.000 0.442 515 A N 4.033 126.893 122.820 0.067 0.000 2.290 515 A HA 0.810 5.122 4.320 -0.013 0.000 0.310 515 A C -0.338 177.260 177.584 0.023 0.000 1.202 515 A CA -0.652 51.373 52.037 -0.019 0.000 0.837 515 A CB 0.294 19.380 19.000 0.143 0.000 1.139 515 A HN 0.851 nan 8.150 nan 0.000 0.509 516 L N 3.693 124.848 121.223 -0.114 0.000 2.287 516 L HA 0.410 4.742 4.340 -0.013 0.000 0.287 516 L C -0.748 176.154 176.870 0.054 0.000 1.022 516 L CA -0.640 54.172 54.840 -0.046 0.000 0.814 516 L CB 1.294 43.216 42.059 -0.229 0.000 1.217 516 L HN 0.483 nan 8.230 nan 0.000 0.420 517 I N 5.571 126.210 120.570 0.115 0.000 2.306 517 I HA 0.418 4.580 4.170 -0.013 0.000 0.288 517 I C -0.137 176.047 176.117 0.111 0.000 1.036 517 I CA -0.182 61.198 61.300 0.133 0.000 1.221 517 I CB 0.979 39.043 38.000 0.105 0.000 1.385 517 I HN 0.480 nan 8.210 nan 0.000 0.472 518 L N 5.160 126.458 121.223 0.125 0.000 2.362 518 L HA 0.514 4.846 4.340 -0.013 0.000 0.271 518 L C 0.545 177.461 176.870 0.077 0.000 1.002 518 L CA -0.651 54.253 54.840 0.106 0.000 0.818 518 L CB 2.274 44.412 42.059 0.130 0.000 1.298 518 L HN 0.595 nan 8.230 nan 0.000 0.420 519 S N 1.127 116.848 115.700 0.035 0.000 2.610 519 S HA 0.351 4.813 4.470 -0.013 0.000 0.273 519 S C 0.722 175.257 174.600 -0.107 0.000 1.274 519 S CA -0.638 57.548 58.200 -0.022 0.000 1.023 519 S CB 1.917 65.111 63.200 -0.009 0.000 0.962 519 S HN 0.769 nan 8.310 nan 0.000 0.523 520 R N 0.725 121.083 120.500 -0.236 0.000 2.093 520 R HA -0.005 4.327 4.340 -0.013 0.000 0.224 520 R C 0.801 177.017 176.300 -0.139 0.000 1.101 520 R CA 0.698 56.579 56.100 -0.366 0.000 0.979 520 R CB -0.094 29.882 30.300 -0.541 0.000 0.877 520 R HN 0.893 nan 8.270 nan 0.000 0.441 521 Q N 1.121 120.881 119.800 -0.067 0.000 2.205 521 Q HA 0.145 4.477 4.340 -0.013 0.000 0.249 521 Q C -1.090 174.905 176.000 -0.008 0.000 0.948 521 Q CA -0.634 55.162 55.803 -0.012 0.000 0.895 521 Q CB 0.647 29.409 28.738 0.041 0.000 1.249 521 Q HN -0.050 nan 8.270 nan 0.000 0.458 522 N N 1.300 119.998 118.700 -0.002 0.000 2.492 522 N HA 0.225 4.957 4.740 -0.013 0.000 0.262 522 N C -0.584 174.915 175.510 -0.019 0.000 1.202 522 N CA 0.185 53.231 53.050 -0.006 0.000 0.926 522 N CB 0.362 38.847 38.487 -0.003 0.000 1.078 522 N HN 0.457 nan 8.380 nan 0.000 0.454 523 L N 1.154 122.365 121.223 -0.019 0.000 2.341 523 L HA 0.555 4.887 4.340 -0.013 0.000 0.278 523 L C 0.466 177.319 176.870 -0.029 0.000 1.005 523 L CA -1.255 53.566 54.840 -0.031 0.000 0.818 523 L CB 1.580 43.626 42.059 -0.022 0.000 1.259 523 L HN 0.424 nan 8.230 nan 0.000 0.418 524 A N 2.810 125.606 122.820 -0.042 0.000 2.477 524 A HA 0.176 4.488 4.320 -0.013 0.000 0.246 524 A C -0.006 177.561 177.584 -0.028 0.000 1.078 524 A CA -0.018 51.997 52.037 -0.036 0.000 0.770 524 A CB 0.362 19.334 19.000 -0.047 0.000 1.011 524 A HN 0.794 nan 8.150 nan 0.000 0.494 525 Q N 1.401 121.188 119.800 -0.022 0.000 2.314 525 Q HA 0.224 4.556 4.340 -0.013 0.000 0.258 525 Q C -0.478 175.513 176.000 -0.016 0.000 0.954 525 Q CA -0.280 55.513 55.803 -0.017 0.000 0.890 525 Q CB 0.519 29.245 28.738 -0.020 0.000 1.210 525 Q HN 0.727 nan 8.270 nan 0.000 0.410 526 Q N 2.343 122.139 119.800 -0.006 0.000 2.222 526 Q HA 0.233 4.565 4.340 -0.013 0.000 0.252 526 Q C -0.862 175.141 176.000 0.006 0.000 0.926 526 Q CA -0.249 55.552 55.803 -0.004 0.000 0.899 526 Q CB 1.446 30.188 28.738 0.006 0.000 1.250 526 Q HN 0.669 nan 8.270 nan 0.000 0.441 527 E N 1.653 121.854 120.200 0.002 0.000 2.373 527 E HA 0.261 4.603 4.350 -0.013 0.000 0.267 527 E C -0.427 176.187 176.600 0.023 0.000 1.032 527 E CA 0.112 56.517 56.400 0.007 0.000 0.889 527 E CB 0.830 30.532 29.700 0.004 0.000 0.984 527 E HN 0.153 nan 8.360 nan 0.000 0.425 528 R N 1.062 121.574 120.500 0.019 0.000 2.604 528 R HA 0.221 4.553 4.340 -0.013 0.000 0.281 528 R C -0.389 175.918 176.300 0.012 0.000 1.020 528 R CA -0.601 55.515 56.100 0.027 0.000 0.899 528 R CB 1.857 32.167 30.300 0.016 0.000 1.205 528 R HN 0.645 nan 8.270 nan 0.000 0.450 529 T N -1.120 113.446 114.554 0.020 0.000 2.726 529 T HA 0.059 4.401 4.350 -0.013 0.000 0.294 529 T C 1.177 175.877 174.700 -0.001 0.000 1.013 529 T CA -0.620 61.488 62.100 0.013 0.000 0.996 529 T CB 0.753 69.636 68.868 0.024 0.000 1.016 529 T HN 0.423 nan 8.240 nan 0.000 0.529 530 E N 0.322 120.521 120.200 -0.002 0.000 2.085 530 E HA -0.174 4.168 4.350 -0.013 0.000 0.194 530 E C 1.983 178.575 176.600 -0.013 0.000 0.994 530 E CA 1.638 58.032 56.400 -0.010 0.000 0.801 530 E CB -0.382 29.315 29.700 -0.005 0.000 0.743 530 E HN 0.934 nan 8.360 nan 0.000 0.453 531 E N 0.676 120.878 120.200 0.003 0.000 2.051 531 E HA -0.202 4.140 4.350 -0.013 0.000 0.192 531 E C 2.107 178.702 176.600 -0.009 0.000 0.991 531 E CA 1.182 57.588 56.400 0.011 0.000 0.799 531 E CB 0.079 29.803 29.700 0.040 0.000 0.748 531 E HN 0.251 nan 8.360 nan 0.000 0.449 532 Q N -0.082 119.714 119.800 -0.007 0.000 2.124 532 Q HA -0.165 4.167 4.340 -0.013 0.000 0.202 532 Q C 2.294 178.157 176.000 -0.228 0.000 0.977 532 Q CA 1.138 56.905 55.803 -0.061 0.000 0.850 532 Q CB -0.120 28.651 28.738 0.055 0.000 0.901 532 Q HN 0.273 nan 8.270 nan 0.000 0.429 533 L N 0.657 121.804 121.223 -0.127 0.000 2.046 533 L HA -0.143 4.189 4.340 -0.013 0.000 0.208 533 L C 2.124 178.911 176.870 -0.139 0.000 1.077 533 L CA 2.146 56.907 54.840 -0.132 0.000 0.747 533 L CB -0.762 41.256 42.059 -0.069 0.000 0.896 533 L HN 0.129 nan 8.230 nan 0.000 0.432 534 A N -0.769 121.993 122.820 -0.097 0.000 1.969 534 A HA -0.166 4.146 4.320 -0.013 0.000 0.218 534 A C 1.958 179.488 177.584 -0.090 0.000 1.169 534 A CA 1.609 53.605 52.037 -0.068 0.000 0.635 534 A CB -0.697 18.281 19.000 -0.036 0.000 0.810 534 A HN 0.596 nan 8.150 nan 0.000 0.445 535 N N 0.037 118.642 118.700 -0.157 0.000 2.494 535 N HA 0.014 4.746 4.740 -0.013 0.000 0.182 535 N C 1.407 176.771 175.510 -0.243 0.000 1.076 535 N CA 0.673 53.636 53.050 -0.145 0.000 0.908 535 N CB -0.386 38.082 38.487 -0.030 0.000 0.967 535 N HN 0.593 nan 8.380 nan 0.000 0.449 536 I N 0.907 121.214 120.570 -0.437 0.000 2.194 536 I HA -0.283 3.879 4.170 -0.013 0.000 0.246 536 I C 2.128 178.366 176.117 0.201 0.000 1.093 536 I CA 1.208 62.382 61.300 -0.210 0.000 1.355 536 I CB -0.341 37.597 38.000 -0.104 0.000 1.046 536 I HN 0.062 nan 8.210 nan 0.000 0.413 537 A N 0.672 123.588 122.820 0.160 0.000 2.125 537 A HA -0.128 4.184 4.320 -0.013 0.000 0.219 537 A C 2.174 179.969 177.584 0.352 0.000 1.156 537 A CA 1.061 53.284 52.037 0.311 0.000 0.671 537 A CB -0.553 18.574 19.000 0.212 0.000 0.794 537 A HN 0.396 nan 8.150 nan 0.000 0.459 538 R N -1.304 119.323 120.500 0.211 0.000 2.313 538 R HA 0.186 4.518 4.340 -0.013 0.000 0.199 538 R C 1.556 178.027 176.300 0.285 0.000 0.958 538 R CA 0.539 56.732 56.100 0.156 0.000 1.047 538 R CB -0.131 30.109 30.300 -0.100 0.000 0.955 538 R HN 0.632 nan 8.270 nan 0.000 0.481 539 G N 0.346 109.301 108.800 0.259 0.000 2.417 539 G HA2 -0.270 3.682 3.960 -0.013 0.000 0.233 539 G HA3 -0.270 3.682 3.960 -0.013 0.000 0.233 539 G C 0.325 175.291 174.900 0.111 0.000 1.103 539 G CA -0.084 45.024 45.100 0.014 0.000 0.647 539 G HN 0.619 nan 8.290 nan 0.000 0.512 540 G N -0.579 108.432 108.800 0.351 0.000 2.701 540 G HA2 0.870 4.822 3.960 -0.013 0.000 0.300 540 G HA3 0.870 4.822 3.960 -0.013 0.000 0.300 540 G C -0.983 174.146 174.900 0.383 0.000 1.410 540 G CA 0.150 45.278 45.100 0.047 0.000 1.014 540 G HN 1.686 nan 8.290 nan 0.000 0.509 541 Y N -0.743 119.589 120.300 0.053 0.000 2.624 541 Y HA 0.662 5.204 4.550 -0.014 0.000 0.334 541 Y C -1.014 174.893 175.900 0.012 0.000 1.155 541 Y CA -1.676 56.504 58.100 0.134 0.000 1.046 541 Y CB 0.984 39.568 38.460 0.205 0.000 1.316 541 Y HN 0.442 nan 8.280 nan 0.000 0.457 542 V N 3.827 123.798 119.914 0.096 0.000 2.439 542 V HA 0.051 4.163 4.120 -0.013 0.000 0.271 542 V C 0.534 176.635 176.094 0.013 0.000 1.040 542 V CA 0.101 62.386 62.300 -0.026 0.000 1.002 542 V CB 0.620 32.457 31.823 0.022 0.000 1.000 542 V HN 0.895 nan 8.190 nan 0.000 0.477 543 L N 4.883 126.001 121.223 -0.174 0.000 2.286 543 L HA 0.400 4.732 4.340 -0.013 0.000 0.203 543 L C 0.772 177.550 176.870 -0.153 0.000 1.068 543 L CA 1.504 56.273 54.840 -0.120 0.000 0.811 543 L CB 0.059 41.964 42.059 -0.256 0.000 0.989 543 L HN 0.425 nan 8.230 nan 0.000 0.467 544 K N 0.118 120.349 120.400 -0.281 0.000 2.426 544 K HA 0.490 4.802 4.320 -0.013 0.000 0.251 544 K C -1.384 175.064 176.600 -0.252 0.000 0.941 544 K CA -0.567 55.461 56.287 -0.432 0.000 0.808 544 K CB 2.165 33.958 32.500 -1.179 0.000 1.265 544 K HN -0.121 nan 8.250 nan 0.000 0.432 545 D N -0.251 120.119 120.400 -0.050 0.000 2.752 545 D HA 0.558 5.190 4.640 -0.013 0.000 0.313 545 D C -1.008 175.413 176.300 0.202 0.000 1.225 545 D CA -0.230 53.820 54.000 0.085 0.000 0.976 545 D CB 1.540 42.367 40.800 0.046 0.000 1.443 545 D HN 0.654 nan 8.370 nan 0.000 0.515 546 C N -0.598 118.786 119.300 0.140 0.000 3.154 546 C HA 0.998 5.450 4.460 -0.013 0.000 0.312 546 C C -0.105 174.926 174.990 0.068 0.000 1.349 546 C CA -0.944 58.141 59.018 0.112 0.000 1.518 546 C CB 0.542 28.339 27.740 0.095 0.000 1.934 546 C HN 0.649 nan 8.230 nan 0.000 0.462 547 A N 1.135 123.986 122.820 0.051 0.000 2.366 547 A HA 0.724 5.036 4.320 -0.013 0.000 0.272 547 A C 0.958 178.560 177.584 0.029 0.000 1.135 547 A CA 1.025 53.084 52.037 0.037 0.000 0.804 547 A CB -0.754 18.264 19.000 0.029 0.000 1.064 547 A HN 3.084 nan 8.150 nan 0.000 0.499 548 G N 0.791 109.607 108.800 0.026 0.000 2.741 548 G HA2 -0.135 3.817 3.960 -0.013 0.000 0.222 548 G HA3 -0.135 3.817 3.960 -0.013 0.000 0.222 548 G C 0.014 174.927 174.900 0.022 0.000 1.364 548 G CA 0.096 45.209 45.100 0.021 0.000 0.866 548 G HN 1.293 nan 8.290 nan 0.000 0.555 549 Q N 0.598 120.409 119.800 0.018 0.000 2.289 549 Q HA 0.401 4.733 4.340 -0.013 0.000 0.273 549 Q C -1.900 174.108 176.000 0.015 0.000 1.029 549 Q CA -1.089 54.724 55.803 0.016 0.000 0.896 549 Q CB 0.382 29.129 28.738 0.015 0.000 1.182 549 Q HN 0.375 nan 8.270 nan 0.000 0.385 550 P HA -0.020 nan 4.420 nan 0.000 0.268 550 P C -0.612 176.680 177.300 -0.012 0.000 1.205 550 P CA 0.234 63.338 63.100 0.007 0.000 0.771 550 P CB 0.643 32.345 31.700 0.003 0.000 0.858 551 E N 0.810 120.999 120.200 -0.018 0.000 2.285 551 E HA 0.051 4.393 4.350 -0.013 0.000 0.194 551 E C 0.178 176.712 176.600 -0.110 0.000 0.997 551 E CA 0.524 56.904 56.400 -0.034 0.000 0.845 551 E CB 0.083 29.781 29.700 -0.004 0.000 0.782 551 E HN 0.168 nan 8.360 nan 0.000 0.491 552 L N 0.657 121.803 121.223 -0.129 0.000 2.526 552 L HA 0.406 4.738 4.340 -0.013 0.000 0.263 552 L C -1.806 174.922 176.870 -0.237 0.000 0.943 552 L CA -0.381 54.310 54.840 -0.248 0.000 0.859 552 L CB 1.864 43.735 42.059 -0.314 0.000 1.313 552 L HN -0.152 nan 8.230 nan 0.000 0.406 553 I N 4.764 125.163 120.570 -0.285 0.000 2.418 553 I HA 0.383 4.545 4.170 -0.013 0.000 0.287 553 I C -0.980 174.947 176.117 -0.317 0.000 1.008 553 I CA -0.411 60.764 61.300 -0.208 0.000 1.104 553 I CB 1.458 39.389 38.000 -0.114 0.000 1.264 553 I HN 0.408 nan 8.210 nan 0.000 0.438 554 F N 6.442 126.340 119.950 -0.086 0.000 2.396 554 F HA 0.478 4.997 4.527 -0.014 0.000 0.343 554 F C 0.323 176.007 175.800 -0.193 0.000 1.104 554 F CA -0.332 57.589 58.000 -0.132 0.000 1.161 554 F CB 0.895 39.829 39.000 -0.109 0.000 1.146 554 F HN 0.173 nan 8.300 nan 0.000 0.522 555 I N 3.318 123.847 120.570 -0.069 0.000 2.382 555 I HA 0.665 4.827 4.170 -0.013 0.000 0.286 555 I C -0.395 175.516 176.117 -0.343 0.000 1.002 555 I CA -0.505 60.658 61.300 -0.228 0.000 1.135 555 I CB 1.322 39.171 38.000 -0.252 0.000 1.288 555 I HN 0.674 nan 8.210 nan 0.000 0.448 556 A N 4.108 126.747 122.820 -0.302 0.000 2.515 556 A HA 0.959 5.271 4.320 -0.013 0.000 0.296 556 A C -0.415 177.034 177.584 -0.225 0.000 1.094 556 A CA -0.549 51.314 52.037 -0.290 0.000 0.718 556 A CB 2.045 20.916 19.000 -0.215 0.000 1.307 556 A HN 0.654 nan 8.150 nan 0.000 0.408 557 T N -1.829 112.626 114.554 -0.164 0.000 2.896 557 T HA 0.743 5.085 4.350 -0.013 0.000 0.297 557 T C 0.819 175.483 174.700 -0.060 0.000 1.108 557 T CA 0.466 62.525 62.100 -0.070 0.000 1.004 557 T CB 1.019 69.908 68.868 0.035 0.000 1.159 557 T HN 2.639 nan 8.240 nan 0.000 0.499 558 G N 2.114 110.901 108.800 -0.021 0.000 2.627 558 G HA2 -0.369 3.583 3.960 -0.013 0.000 0.312 558 G HA3 -0.369 3.583 3.960 -0.013 0.000 0.312 558 G C 1.315 176.180 174.900 -0.058 0.000 1.299 558 G CA 1.886 46.977 45.100 -0.015 0.000 0.989 558 G HN 2.135 nan 8.290 nan 0.000 0.547 559 S N -0.231 115.424 115.700 -0.074 0.000 2.465 559 S HA -0.031 4.431 4.470 -0.013 0.000 0.241 559 S C 1.684 176.165 174.600 -0.199 0.000 1.000 559 S CA 2.212 60.334 58.200 -0.128 0.000 0.964 559 S CB -0.033 63.092 63.200 -0.125 0.000 0.763 559 S HN 0.626 nan 8.310 nan 0.000 0.512 560 E N 0.724 120.815 120.200 -0.182 0.000 2.474 560 E HA 0.229 4.571 4.350 -0.013 0.000 0.194 560 E C 1.739 178.237 176.600 -0.171 0.000 1.041 560 E CA 0.046 56.332 56.400 -0.190 0.000 0.874 560 E CB -0.209 29.397 29.700 -0.156 0.000 0.914 560 E HN 0.381 nan 8.360 nan 0.000 0.498 561 V N 0.938 120.759 119.914 -0.155 0.000 2.343 561 V HA -0.292 3.820 4.120 -0.013 0.000 0.247 561 V C 2.324 178.321 176.094 -0.163 0.000 1.051 561 V CA 2.114 64.317 62.300 -0.160 0.000 1.036 561 V CB -0.336 31.408 31.823 -0.132 0.000 0.654 561 V HN 0.357 nan 8.190 nan 0.000 0.451 562 E N -0.040 120.072 120.200 -0.146 0.000 2.070 562 E HA -0.262 4.080 4.350 -0.013 0.000 0.197 562 E C 2.303 178.811 176.600 -0.153 0.000 1.004 562 E CA 1.654 57.973 56.400 -0.135 0.000 0.805 562 E CB -0.155 29.468 29.700 -0.127 0.000 0.744 562 E HN 0.558 nan 8.360 nan 0.000 0.451 563 L N 0.163 121.282 121.223 -0.173 0.000 2.017 563 L HA -0.175 4.157 4.340 -0.013 0.000 0.208 563 L C 2.506 179.232 176.870 -0.240 0.000 1.073 563 L CA 1.470 56.206 54.840 -0.173 0.000 0.745 563 L CB -0.446 41.528 42.059 -0.141 0.000 0.894 563 L HN 0.270 nan 8.230 nan 0.000 0.432 564 A N -0.859 121.789 122.820 -0.287 0.000 1.933 564 A HA -0.162 4.150 4.320 -0.013 0.000 0.218 564 A C 2.172 179.478 177.584 -0.463 0.000 1.175 564 A CA 1.768 53.513 52.037 -0.487 0.000 0.628 564 A CB -0.780 18.000 19.000 -0.367 0.000 0.814 564 A HN 0.329 nan 8.150 nan 0.000 0.444 565 V N -0.189 119.568 119.914 -0.262 0.000 2.358 565 V HA -0.232 3.880 4.120 -0.013 0.000 0.246 565 V C 3.056 179.115 176.094 -0.060 0.000 1.047 565 V CA 1.844 64.053 62.300 -0.152 0.000 1.035 565 V CB -1.224 30.519 31.823 -0.132 0.000 0.658 565 V HN 0.615 nan 8.190 nan 0.000 0.452 566 A N 0.101 122.854 122.820 -0.113 0.000 1.908 566 A HA -0.169 4.143 4.320 -0.013 0.000 0.218 566 A C 2.426 179.945 177.584 -0.108 0.000 1.181 566 A CA 2.268 54.254 52.037 -0.085 0.000 0.627 566 A CB -0.808 18.135 19.000 -0.094 0.000 0.818 566 A HN 0.577 nan 8.150 nan 0.000 0.445 567 A N -1.369 121.319 122.820 -0.220 0.000 1.902 567 A HA -0.096 4.216 4.320 -0.013 0.000 0.217 567 A C 2.139 179.631 177.584 -0.152 0.000 1.181 567 A CA 1.655 53.543 52.037 -0.248 0.000 0.623 567 A CB -0.882 17.823 19.000 -0.491 0.000 0.818 567 A HN 0.852 nan 8.150 nan 0.000 0.443 568 Y N 0.881 120.982 120.300 -0.331 0.000 2.165 568 Y HA -0.230 4.313 4.550 -0.012 0.000 0.286 568 Y C 2.224 178.113 175.900 -0.018 0.000 1.155 568 Y CA 2.235 60.298 58.100 -0.061 0.000 1.164 568 Y CB -0.104 38.314 38.460 -0.070 0.000 0.978 568 Y HN 0.320 nan 8.280 nan 0.000 0.513 569 E N 0.756 120.937 120.200 -0.033 0.000 2.077 569 E HA -0.217 4.125 4.350 -0.013 0.000 0.193 569 E C 2.140 178.654 176.600 -0.143 0.000 0.989 569 E CA 1.408 57.737 56.400 -0.117 0.000 0.800 569 E CB -0.344 29.368 29.700 0.020 0.000 0.746 569 E HN 0.511 nan 8.360 nan 0.000 0.452 570 K N 0.729 121.076 120.400 -0.089 0.000 2.009 570 K HA -0.101 4.211 4.320 -0.013 0.000 0.210 570 K C 2.343 178.901 176.600 -0.071 0.000 1.049 570 K CA 0.944 57.192 56.287 -0.065 0.000 0.929 570 K CB -0.170 32.305 32.500 -0.042 0.000 0.714 570 K HN -0.000 nan 8.250 nan 0.000 0.440 571 L N 0.110 121.294 121.223 -0.065 0.000 2.046 571 L HA -0.179 4.153 4.340 -0.013 0.000 0.208 571 L C 2.387 179.190 176.870 -0.112 0.000 1.077 571 L CA 1.479 56.292 54.840 -0.045 0.000 0.747 571 L CB -0.543 41.541 42.059 0.041 0.000 0.896 571 L HN 0.280 nan 8.230 nan 0.000 0.432 572 T N -0.173 114.238 114.554 -0.239 0.000 2.746 572 T HA -0.190 4.152 4.350 -0.013 0.000 0.267 572 T C 1.962 176.571 174.700 -0.152 0.000 1.039 572 T CA 1.360 63.296 62.100 -0.273 0.000 1.142 572 T CB -0.249 68.301 68.868 -0.530 0.000 0.866 572 T HN 0.453 nan 8.240 nan 0.000 0.444 573 A N 1.351 124.095 122.820 -0.126 0.000 2.070 573 A HA -0.081 4.231 4.320 -0.013 0.000 0.220 573 A C 1.973 179.525 177.584 -0.053 0.000 1.159 573 A CA 1.176 53.169 52.037 -0.075 0.000 0.656 573 A CB -0.371 18.593 19.000 -0.061 0.000 0.800 573 A HN 0.569 nan 8.150 nan 0.000 0.453 574 E N -1.541 118.628 120.200 -0.052 0.000 2.489 574 E HA 0.260 4.602 4.350 -0.013 0.000 0.193 574 E C 1.078 177.661 176.600 -0.029 0.000 1.057 574 E CA 0.245 56.626 56.400 -0.032 0.000 0.866 574 E CB -0.054 29.633 29.700 -0.021 0.000 0.916 574 E HN 0.721 nan 8.360 nan 0.000 0.500 575 G N 1.133 109.908 108.800 -0.041 0.000 2.157 575 G HA2 -0.270 3.682 3.960 -0.013 0.000 0.248 575 G HA3 -0.270 3.682 3.960 -0.013 0.000 0.248 575 G C 0.411 175.293 174.900 -0.030 0.000 0.979 575 G CA 0.113 45.193 45.100 -0.034 0.000 0.650 575 G HN 0.163 nan 8.290 nan 0.000 0.529 576 V N 1.733 121.627 119.914 -0.034 0.000 2.637 576 V HA 0.288 4.400 4.120 -0.013 0.000 0.296 576 V C 0.726 176.798 176.094 -0.036 0.000 1.046 576 V CA -0.164 62.122 62.300 -0.022 0.000 1.066 576 V CB 1.413 33.229 31.823 -0.012 0.000 0.968 576 V HN 0.200 nan 8.190 nan 0.000 0.483 577 K N 4.491 124.883 120.400 -0.013 0.000 2.250 577 K HA 0.616 4.928 4.320 -0.013 0.000 0.285 577 K C -0.076 176.535 176.600 0.018 0.000 1.097 577 K CA 0.182 56.469 56.287 0.001 0.000 0.913 577 K CB 1.174 33.680 32.500 0.009 0.000 1.179 577 K HN 0.801 nan 8.250 nan 0.000 0.462 578 A N 3.389 126.244 122.820 0.058 0.000 2.423 578 A HA 0.760 5.072 4.320 -0.013 0.000 0.304 578 A C -0.652 177.125 177.584 0.323 0.000 1.104 578 A CA -0.815 51.313 52.037 0.151 0.000 0.757 578 A CB 1.686 20.808 19.000 0.204 0.000 1.313 578 A HN 0.683 nan 8.150 nan 0.000 0.423 579 R N 0.489 121.145 120.500 0.261 0.000 2.725 579 R HA 0.680 5.012 4.340 -0.013 0.000 0.277 579 R C -2.195 174.185 176.300 0.132 0.000 0.987 579 R CA -0.419 55.777 56.100 0.160 0.000 0.901 579 R CB 2.066 32.393 30.300 0.045 0.000 1.207 579 R HN 0.507 nan 8.270 nan 0.000 0.463 580 V N 3.960 123.828 119.914 -0.078 0.000 2.409 580 V HA 0.380 4.492 4.120 -0.013 0.000 0.291 580 V C -0.457 175.518 176.094 -0.198 0.000 1.020 580 V CA -0.800 61.434 62.300 -0.110 0.000 0.848 580 V CB 1.721 33.386 31.823 -0.263 0.000 0.990 580 V HN 0.509 nan 8.190 nan 0.000 0.430 581 V N 3.827 123.621 119.914 -0.199 0.000 2.370 581 V HA 0.387 4.499 4.120 -0.013 0.000 0.279 581 V C 0.475 176.338 176.094 -0.385 0.000 1.029 581 V CA -0.147 61.965 62.300 -0.313 0.000 0.870 581 V CB 1.820 33.471 31.823 -0.287 0.000 0.984 581 V HN 0.887 nan 8.190 nan 0.000 0.451 582 S N 5.129 120.478 115.700 -0.584 0.000 2.489 582 S HA 0.540 5.002 4.470 -0.013 0.000 0.277 582 S C -0.194 174.147 174.600 -0.432 0.000 1.230 582 S CA -0.553 57.338 58.200 -0.515 0.000 1.053 582 S CB 0.438 63.274 63.200 -0.608 0.000 0.955 582 S HN 0.685 nan 8.310 nan 0.000 0.488 583 M N 8.813 128.254 119.600 -0.264 0.000 2.854 583 M HA 0.426 4.898 4.480 -0.013 0.000 0.203 583 M C -2.036 174.189 176.300 -0.126 0.000 1.069 583 M CA -2.062 53.101 55.300 -0.229 0.000 0.803 583 M CB 1.350 33.797 32.600 -0.255 0.000 1.380 583 M HN 0.368 nan 8.290 nan 0.000 0.494 584 P HA -0.034 nan 4.420 nan 0.000 0.218 584 P C -0.009 177.084 177.300 -0.345 0.000 1.149 584 P CA 0.798 63.873 63.100 -0.042 0.000 0.817 584 P CB 0.315 32.144 31.700 0.215 0.000 0.785 585 S N -0.935 114.389 115.700 -0.626 0.000 2.789 585 S HA 0.315 4.777 4.470 -0.013 0.000 0.286 585 S C 1.067 175.414 174.600 -0.423 0.000 1.153 585 S CA -0.283 57.383 58.200 -0.890 0.000 1.084 585 S CB 0.465 62.379 63.200 -2.144 0.000 1.036 585 S HN 0.107 nan 8.310 nan 0.000 0.484 586 T N 1.256 115.671 114.554 -0.232 0.000 2.746 586 T HA -0.172 4.170 4.350 -0.013 0.000 0.267 586 T C 1.444 176.199 174.700 0.091 0.000 1.039 586 T CA 1.726 63.833 62.100 0.011 0.000 1.142 586 T CB -0.612 68.335 68.868 0.130 0.000 0.866 586 T HN 0.785 nan 8.240 nan 0.000 0.444 587 D N 2.353 122.728 120.400 -0.040 0.000 2.117 587 D HA -0.049 4.583 4.640 -0.013 0.000 0.198 587 D C 2.379 178.700 176.300 0.035 0.000 0.982 587 D CA 1.208 55.220 54.000 0.020 0.000 0.828 587 D CB -0.523 40.282 40.800 0.009 0.000 0.967 587 D HN 0.590 nan 8.370 nan 0.000 0.464 588 A N 0.773 123.547 122.820 -0.076 0.000 1.902 588 A HA -0.105 4.207 4.320 -0.013 0.000 0.217 588 A C 2.083 179.734 177.584 0.111 0.000 1.181 588 A CA 1.105 53.156 52.037 0.023 0.000 0.623 588 A CB -1.193 17.741 19.000 -0.109 0.000 0.818 588 A HN 0.262 nan 8.150 nan 0.000 0.443 589 F N 1.491 121.425 119.950 -0.028 0.000 2.095 589 F HA -0.210 4.308 4.527 -0.015 0.000 0.298 589 F C 1.665 177.545 175.800 0.134 0.000 1.104 589 F CA 2.208 60.257 58.000 0.081 0.000 1.232 589 F CB -0.292 38.726 39.000 0.031 0.000 0.987 589 F HN 0.246 nan 8.300 nan 0.000 0.475 590 D N 0.246 120.724 120.400 0.129 0.000 2.218 590 D HA -0.156 4.476 4.640 -0.013 0.000 0.204 590 D C 2.016 178.303 176.300 -0.022 0.000 0.976 590 D CA 1.195 55.220 54.000 0.042 0.000 0.853 590 D CB -0.300 40.587 40.800 0.145 0.000 0.939 590 D HN 0.384 nan 8.370 nan 0.000 0.481 591 K N 0.127 120.536 120.400 0.015 0.000 2.432 591 K HA 0.001 4.313 4.320 -0.013 0.000 0.196 591 K C 0.684 177.283 176.600 -0.002 0.000 1.038 591 K CA 0.158 56.461 56.287 0.027 0.000 0.986 591 K CB 0.277 32.825 32.500 0.080 0.000 0.782 591 K HN 0.135 nan 8.250 nan 0.000 0.485 592 Q N 1.822 121.593 119.800 -0.049 0.000 2.417 592 Q HA -0.015 4.317 4.340 -0.013 0.000 0.241 592 Q C -0.109 175.873 176.000 -0.031 0.000 1.008 592 Q CA 0.089 55.868 55.803 -0.040 0.000 0.901 592 Q CB 0.416 29.152 28.738 -0.003 0.000 1.259 592 Q HN 0.253 nan 8.270 nan 0.000 0.489 593 D N -0.789 119.621 120.400 0.017 0.000 2.360 593 D HA 0.116 4.748 4.640 -0.013 0.000 0.242 593 D C 0.654 176.969 176.300 0.025 0.000 1.184 593 D CA 0.180 54.193 54.000 0.022 0.000 0.930 593 D CB 0.514 41.334 40.800 0.033 0.000 1.161 593 D HN 0.437 nan 8.370 nan 0.000 0.447 594 A N 1.282 124.110 122.820 0.014 0.000 1.908 594 A HA -0.047 4.265 4.320 -0.013 0.000 0.218 594 A C 2.228 179.827 177.584 0.025 0.000 1.181 594 A CA 2.764 54.806 52.037 0.008 0.000 0.627 594 A CB -1.258 17.748 19.000 0.011 0.000 0.818 594 A HN 0.769 nan 8.150 nan 0.000 0.445 595 A N -1.534 121.315 122.820 0.049 0.000 1.877 595 A HA -0.136 4.176 4.320 -0.013 0.000 0.216 595 A C 2.172 179.806 177.584 0.084 0.000 1.186 595 A CA 1.760 53.834 52.037 0.062 0.000 0.620 595 A CB -0.835 18.207 19.000 0.071 0.000 0.822 595 A HN 0.754 nan 8.150 nan 0.000 0.443 596 Y N 0.499 120.803 120.300 0.007 0.000 2.163 596 Y HA -0.172 4.371 4.550 -0.013 0.000 0.288 596 Y C 2.516 178.441 175.900 0.042 0.000 1.136 596 Y CA 1.984 60.100 58.100 0.028 0.000 1.147 596 Y CB -0.291 38.179 38.460 0.016 0.000 0.987 596 Y HN 0.246 nan 8.280 nan 0.000 0.509 597 R N -0.177 120.263 120.500 -0.101 0.000 2.081 597 R HA -0.202 4.130 4.340 -0.013 0.000 0.235 597 R C 2.156 178.456 176.300 -0.000 0.000 1.131 597 R CA 1.573 57.579 56.100 -0.156 0.000 0.960 597 R CB -0.358 29.785 30.300 -0.262 0.000 0.856 597 R HN 0.324 nan 8.270 nan 0.000 0.436 598 E N 1.015 121.208 120.200 -0.012 0.000 2.110 598 E HA -0.172 4.170 4.350 -0.013 0.000 0.193 598 E C 1.840 178.429 176.600 -0.018 0.000 0.988 598 E CA 1.972 58.378 56.400 0.010 0.000 0.804 598 E CB -0.106 29.603 29.700 0.015 0.000 0.745 598 E HN 0.273 nan 8.360 nan 0.000 0.458 599 S N -0.955 114.702 115.700 -0.073 0.000 2.399 599 S HA -0.102 4.360 4.470 -0.013 0.000 0.231 599 S C 1.994 176.531 174.600 -0.105 0.000 1.022 599 S CA 1.228 59.378 58.200 -0.083 0.000 0.983 599 S CB -0.388 62.759 63.200 -0.088 0.000 0.803 599 S HN 0.140 nan 8.310 nan 0.000 0.480 600 V N 0.939 120.760 119.914 -0.155 0.000 2.426 600 V HA 0.302 4.414 4.120 -0.013 0.000 0.242 600 V C 1.092 177.170 176.094 -0.026 0.000 1.036 600 V CA 0.885 63.127 62.300 -0.098 0.000 1.044 600 V CB -0.486 31.295 31.823 -0.069 0.000 0.688 600 V HN 0.458 nan 8.190 nan 0.000 0.462 601 L N 3.068 124.324 121.223 0.054 0.000 2.502 601 L HA 0.370 4.702 4.340 -0.013 0.000 0.247 601 L C -2.528 174.382 176.870 0.067 0.000 1.180 601 L CA -1.514 53.366 54.840 0.066 0.000 0.956 601 L CB 1.170 43.316 42.059 0.144 0.000 1.282 601 L HN 0.177 nan 8.230 nan 0.000 0.470 602 P HA -0.004 nan 4.420 nan 0.000 0.265 602 P C 0.406 177.730 177.300 0.039 0.000 1.193 602 P CA -0.168 62.950 63.100 0.030 0.000 0.765 602 P CB 0.771 32.481 31.700 0.018 0.000 0.823 603 K N 2.507 122.932 120.400 0.041 0.000 2.280 603 K HA -0.112 4.200 4.320 -0.013 0.000 0.202 603 K C 1.620 178.243 176.600 0.037 0.000 1.047 603 K CA 1.381 57.694 56.287 0.043 0.000 0.942 603 K CB -0.735 31.788 32.500 0.038 0.000 0.739 603 K HN 0.312 nan 8.250 nan 0.000 0.457 604 A N 1.625 124.464 122.820 0.031 0.000 2.015 604 A HA 0.045 4.357 4.320 -0.013 0.000 0.219 604 A C 0.997 178.602 177.584 0.034 0.000 1.163 604 A CA 0.601 52.656 52.037 0.030 0.000 0.646 604 A CB -0.079 18.936 19.000 0.024 0.000 0.806 604 A HN 0.129 nan 8.150 nan 0.000 0.448 605 V N 1.445 121.377 119.914 0.029 0.000 2.334 605 V HA 0.213 4.325 4.120 -0.013 0.000 0.267 605 V C 1.339 177.450 176.094 0.029 0.000 1.040 605 V CA 0.496 62.807 62.300 0.018 0.000 0.866 605 V CB 0.654 32.475 31.823 -0.004 0.000 1.019 605 V HN 0.608 nan 8.190 nan 0.000 0.468 606 T N 1.116 115.705 114.554 0.059 0.000 3.014 606 T HA 0.207 4.549 4.350 -0.013 0.000 0.250 606 T C 0.981 175.736 174.700 0.091 0.000 1.060 606 T CA 0.559 62.724 62.100 0.109 0.000 1.040 606 T CB 0.314 69.290 68.868 0.179 0.000 0.971 606 T HN 0.646 nan 8.240 nan 0.000 0.497 607 A N 2.278 125.049 122.820 -0.082 0.000 2.805 607 A HA 0.551 4.863 4.320 -0.013 0.000 0.301 607 A C 0.165 177.604 177.584 -0.242 0.000 1.557 607 A CA -0.654 51.178 52.037 -0.342 0.000 1.254 607 A CB -0.472 18.152 19.000 -0.627 0.000 1.114 607 A HN 0.499 nan 8.150 nan 0.000 0.553 608 R N 0.948 121.355 120.500 -0.155 0.000 2.494 608 R HA 0.570 4.902 4.340 -0.013 0.000 0.305 608 R C -1.372 174.827 176.300 -0.169 0.000 0.959 608 R CA -0.627 55.382 56.100 -0.152 0.000 0.864 608 R CB 2.394 32.665 30.300 -0.049 0.000 1.159 608 R HN 0.296 nan 8.270 nan 0.000 0.446 609 V N 2.543 122.315 119.914 -0.237 0.000 2.350 609 V HA 0.442 4.554 4.120 -0.013 0.000 0.285 609 V C 0.003 176.023 176.094 -0.124 0.000 1.014 609 V CA -0.869 61.324 62.300 -0.179 0.000 0.831 609 V CB 1.447 33.134 31.823 -0.226 0.000 1.000 609 V HN 0.922 nan 8.190 nan 0.000 0.433 610 A N 4.953 127.661 122.820 -0.186 0.000 2.354 610 A HA 0.785 5.097 4.320 -0.013 0.000 0.269 610 A C -0.415 176.958 177.584 -0.351 0.000 1.109 610 A CA -0.342 51.446 52.037 -0.414 0.000 0.800 610 A CB 0.900 19.530 19.000 -0.617 0.000 1.045 610 A HN 0.777 nan 8.150 nan 0.000 0.489 611 V N 2.538 122.213 119.914 -0.399 0.000 2.447 611 V HA 0.631 4.743 4.120 -0.013 0.000 0.292 611 V C -0.384 175.584 176.094 -0.210 0.000 1.021 611 V CA -0.332 61.861 62.300 -0.178 0.000 0.850 611 V CB 0.984 32.765 31.823 -0.071 0.000 1.005 611 V HN 1.037 nan 8.190 nan 0.000 0.426 612 E N 3.540 123.718 120.200 -0.037 0.000 2.388 612 E HA 0.604 4.946 4.350 -0.013 0.000 0.289 612 E C -0.637 176.004 176.600 0.068 0.000 0.944 612 E CA -0.636 55.747 56.400 -0.029 0.000 0.792 612 E CB 1.959 31.657 29.700 -0.003 0.000 1.239 612 E HN 0.782 nan 8.360 nan 0.000 0.412 613 A N 3.324 126.006 122.820 -0.230 0.000 3.051 613 A HA 0.566 4.878 4.320 -0.013 0.000 0.257 613 A C 0.242 177.780 177.584 -0.077 0.000 1.785 613 A CA 0.742 52.547 52.037 -0.386 0.000 1.420 613 A CB -0.565 18.088 19.000 -0.578 0.000 1.063 613 A HN 0.519 nan 8.150 nan 0.000 0.630 614 G N -0.549 108.300 108.800 0.081 0.000 2.682 614 G HA2 0.482 4.434 3.960 -0.013 0.000 0.290 614 G HA3 0.482 4.434 3.960 -0.013 0.000 0.290 614 G C -0.813 174.183 174.900 0.160 0.000 1.425 614 G CA -0.805 44.352 45.100 0.095 0.000 0.807 614 G HN 0.292 nan 8.290 nan 0.000 0.482 615 I N 1.385 122.024 120.570 0.114 0.000 2.752 615 I HA 0.311 4.473 4.170 -0.013 0.000 0.289 615 I C 1.738 177.998 176.117 0.237 0.000 1.197 615 I CA 0.673 62.043 61.300 0.116 0.000 1.432 615 I CB 1.193 39.227 38.000 0.055 0.000 1.359 615 I HN 0.692 nan 8.210 nan 0.000 0.571 616 A N 5.116 128.060 122.820 0.206 0.000 1.902 616 A HA -0.149 4.163 4.320 -0.013 0.000 0.217 616 A C 1.839 179.577 177.584 0.257 0.000 1.181 616 A CA 1.606 53.791 52.037 0.247 0.000 0.623 616 A CB -0.598 18.480 19.000 0.131 0.000 0.818 616 A HN 0.808 nan 8.150 nan 0.000 0.443 617 D N -1.629 118.915 120.400 0.240 0.000 2.228 617 D HA -0.190 4.442 4.640 -0.013 0.000 0.203 617 D C 1.497 177.950 176.300 0.256 0.000 0.988 617 D CA 1.350 55.541 54.000 0.319 0.000 0.864 617 D CB -0.407 40.515 40.800 0.203 0.000 0.928 617 D HN 0.635 nan 8.370 nan 0.000 0.469 618 Y N -0.514 119.812 120.300 0.044 0.000 2.151 618 Y HA -0.242 4.301 4.550 -0.011 0.000 0.284 618 Y C 1.670 177.441 175.900 -0.215 0.000 1.166 618 Y CA 1.601 59.603 58.100 -0.163 0.000 1.163 618 Y CB -0.538 37.698 38.460 -0.374 0.000 0.974 618 Y HN 0.024 nan 8.280 nan 0.000 0.511 619 W N -1.559 119.728 121.300 -0.020 0.000 2.937 619 W HA -0.056 4.596 4.660 -0.014 0.000 0.245 619 W C 1.539 177.954 176.519 -0.173 0.000 1.306 619 W CA 0.415 57.722 57.345 -0.062 0.000 1.470 619 W CB -0.564 28.907 29.460 0.018 0.000 1.132 619 W HN 0.084 nan 8.180 nan 0.000 0.675 620 Y N 0.896 121.204 120.300 0.013 0.000 2.384 620 Y HA -0.293 4.249 4.550 -0.014 0.000 0.289 620 Y C 2.425 178.235 175.900 -0.149 0.000 1.152 620 Y CA 1.729 59.806 58.100 -0.038 0.000 1.258 620 Y CB -0.734 37.687 38.460 -0.064 0.000 0.979 620 Y HN -0.022 nan 8.280 nan 0.000 0.549 621 K N -0.434 119.825 120.400 -0.235 0.000 2.103 621 K HA -0.237 4.075 4.320 -0.013 0.000 0.207 621 K C 0.995 177.295 176.600 -0.500 0.000 1.048 621 K CA 2.027 58.013 56.287 -0.501 0.000 0.930 621 K CB -0.296 31.642 32.500 -0.935 0.000 0.716 621 K HN 0.358 nan 8.250 nan 0.000 0.444 622 Y N -1.053 119.265 120.300 0.029 0.000 2.507 622 Y HA 0.046 4.588 4.550 -0.014 0.000 0.263 622 Y C 1.799 177.758 175.900 0.099 0.000 1.093 622 Y CA 0.230 58.398 58.100 0.112 0.000 1.285 622 Y CB 0.605 39.193 38.460 0.214 0.000 1.115 622 Y HN 0.008 nan 8.280 nan 0.000 0.533 623 V N -3.015 117.022 119.914 0.205 0.000 3.471 623 V HA 0.599 4.711 4.120 -0.013 0.000 0.258 623 V C 1.199 177.353 176.094 0.100 0.000 1.192 623 V CA 0.453 62.821 62.300 0.113 0.000 1.116 623 V CB -0.503 31.343 31.823 0.039 0.000 0.792 623 V HN 0.400 nan 8.190 nan 0.000 0.459 624 G N 1.100 109.973 108.800 0.123 0.000 2.601 624 G HA2 -0.285 3.667 3.960 -0.013 0.000 0.252 624 G HA3 -0.285 3.667 3.960 -0.013 0.000 0.252 624 G C 0.158 175.188 174.900 0.215 0.000 1.294 624 G CA 0.269 45.453 45.100 0.139 0.000 0.912 624 G HN 0.570 nan 8.290 nan 0.000 0.574 625 L N 0.774 122.089 121.223 0.153 0.000 2.592 625 L HA 0.249 4.581 4.340 -0.013 0.000 0.227 625 L C 1.471 178.415 176.870 0.122 0.000 1.127 625 L CA 0.300 55.232 54.840 0.153 0.000 0.884 625 L CB -0.081 42.020 42.059 0.069 0.000 1.065 625 L HN 0.456 nan 8.230 nan 0.000 0.457 626 N N 0.163 118.934 118.700 0.118 0.000 2.351 626 N HA 0.208 4.940 4.740 -0.013 0.000 0.254 626 N C 0.379 176.024 175.510 0.225 0.000 1.241 626 N CA 0.115 53.247 53.050 0.137 0.000 0.883 626 N CB 1.631 40.162 38.487 0.074 0.000 1.202 626 N HN 0.206 nan 8.380 nan 0.000 0.512 627 G N -0.116 108.756 108.800 0.121 0.000 3.119 627 G HA2 0.817 4.769 3.960 -0.013 0.000 0.206 627 G HA3 0.817 4.769 3.960 -0.013 0.000 0.206 627 G C -1.279 173.615 174.900 -0.010 0.000 1.313 627 G CA -0.404 44.723 45.100 0.045 0.000 1.010 627 G HN 0.179 nan 8.290 nan 0.000 0.578 628 A N -1.215 121.564 122.820 -0.069 0.000 2.556 628 A HA 0.781 5.093 4.320 -0.013 0.000 0.294 628 A C -1.472 176.043 177.584 -0.116 0.000 1.091 628 A CA -0.533 51.453 52.037 -0.086 0.000 0.704 628 A CB 1.347 20.301 19.000 -0.076 0.000 1.300 628 A HN 0.622 nan 8.150 nan 0.000 0.406 629 I N 1.081 121.580 120.570 -0.118 0.000 2.478 629 I HA 0.349 4.511 4.170 -0.013 0.000 0.287 629 I C -0.942 175.122 176.117 -0.088 0.000 1.042 629 I CA -0.803 60.425 61.300 -0.120 0.000 1.067 629 I CB 2.234 40.155 38.000 -0.132 0.000 1.233 629 I HN 0.271 nan 8.210 nan 0.000 0.431 630 V N 5.878 125.737 119.914 -0.091 0.000 2.270 630 V HA 0.669 4.781 4.120 -0.013 0.000 0.263 630 V C 0.605 176.691 176.094 -0.013 0.000 1.066 630 V CA -0.033 62.197 62.300 -0.117 0.000 0.857 630 V CB 0.292 32.040 31.823 -0.126 0.000 1.099 630 V HN 0.964 nan 8.190 nan 0.000 0.476 631 G N 4.077 112.890 108.800 0.022 0.000 2.975 631 G HA2 0.671 4.623 3.960 -0.013 0.000 0.291 631 G HA3 0.671 4.623 3.960 -0.013 0.000 0.291 631 G C -1.038 174.010 174.900 0.245 0.000 1.334 631 G CA -0.870 44.381 45.100 0.251 0.000 0.843 631 G HN 0.226 nan 8.290 nan 0.000 0.548 632 M N 1.400 121.139 119.600 0.231 0.000 2.318 632 M HA 0.362 4.834 4.480 -0.013 0.000 0.347 632 M C 0.770 177.086 176.300 0.027 0.000 1.175 632 M CA -0.344 55.004 55.300 0.079 0.000 1.075 632 M CB 1.131 33.711 32.600 -0.032 0.000 1.614 632 M HN 0.705 nan 8.290 nan 0.000 0.456 633 T N -2.662 111.889 114.554 -0.006 0.000 3.058 633 T HA 0.228 4.570 4.350 -0.013 0.000 0.278 633 T C 0.445 175.092 174.700 -0.089 0.000 0.974 633 T CA -0.066 62.022 62.100 -0.020 0.000 0.893 633 T CB -0.070 68.811 68.868 0.021 0.000 1.138 633 T HN 0.725 nan 8.240 nan 0.000 0.529 634 T N -0.784 113.694 114.554 -0.127 0.000 2.838 634 T HA 0.741 5.083 4.350 -0.013 0.000 0.292 634 T C -0.646 173.899 174.700 -0.258 0.000 1.113 634 T CA -0.884 61.117 62.100 -0.165 0.000 1.008 634 T CB 0.904 69.811 68.868 0.064 0.000 1.259 634 T HN -0.027 nan 8.240 nan 0.000 0.520 635 F N 0.897 120.842 119.950 -0.008 0.000 2.485 635 F HA 0.519 5.037 4.527 -0.015 0.000 0.327 635 F C 1.776 177.542 175.800 -0.057 0.000 1.203 635 F CA 0.615 58.597 58.000 -0.030 0.000 1.295 635 F CB -0.046 38.964 39.000 0.016 0.000 1.191 635 F HN 0.985 nan 8.300 nan 0.000 0.588 636 G N -0.177 108.710 108.800 0.144 0.000 2.489 636 G HA2 0.449 4.401 3.960 -0.013 0.000 0.271 636 G HA3 0.449 4.401 3.960 -0.013 0.000 0.271 636 G C -0.800 174.255 174.900 0.258 0.000 1.427 636 G CA -0.368 44.780 45.100 0.080 0.000 1.057 636 G HN 0.467 nan 8.290 nan 0.000 0.532 637 E N -1.414 118.933 120.200 0.246 0.000 2.392 637 E HA 0.291 4.633 4.350 -0.013 0.000 0.279 637 E C -1.220 175.433 176.600 0.089 0.000 0.964 637 E CA -0.689 55.816 56.400 0.175 0.000 0.777 637 E CB 1.811 31.622 29.700 0.184 0.000 1.249 637 E HN 0.307 nan 8.360 nan 0.000 0.449 638 S N 0.756 116.483 115.700 0.045 0.000 2.405 638 S HA 0.610 5.072 4.470 -0.013 0.000 0.291 638 S C -0.653 173.950 174.600 0.004 0.000 1.137 638 S CA 0.146 58.352 58.200 0.010 0.000 1.061 638 S CB -0.500 62.698 63.200 -0.003 0.000 1.001 638 S HN 0.555 nan 8.310 nan 0.000 0.507 639 A N 6.075 128.892 122.820 -0.005 0.000 2.566 639 A HA 0.728 5.040 4.320 -0.013 0.000 0.290 639 A C -3.236 174.336 177.584 -0.020 0.000 1.071 639 A CA -1.413 50.618 52.037 -0.010 0.000 0.658 639 A CB 0.496 19.491 19.000 -0.008 0.000 1.285 639 A HN 0.536 nan 8.150 nan 0.000 0.427 640 P HA 0.237 nan 4.420 nan 0.000 0.264 640 P C 1.024 178.310 177.300 -0.023 0.000 1.183 640 P CA 0.973 64.066 63.100 -0.012 0.000 0.763 640 P CB 0.790 32.492 31.700 0.003 0.000 0.807 641 A N 4.972 127.769 122.820 -0.038 0.000 1.917 641 A HA -0.254 4.058 4.320 -0.013 0.000 0.219 641 A C 1.940 179.516 177.584 -0.014 0.000 1.182 641 A CA 1.922 53.896 52.037 -0.105 0.000 0.633 641 A CB -1.053 17.916 19.000 -0.052 0.000 0.819 641 A HN 0.677 nan 8.150 nan 0.000 0.448 642 E N 0.615 120.882 120.200 0.110 0.000 2.110 642 E HA -0.183 4.159 4.350 -0.013 0.000 0.193 642 E C 1.933 178.622 176.600 0.148 0.000 0.988 642 E CA 1.465 57.983 56.400 0.196 0.000 0.804 642 E CB -0.702 29.076 29.700 0.130 0.000 0.745 642 E HN 0.650 nan 8.360 nan 0.000 0.458 643 L N 0.368 121.631 121.223 0.068 0.000 2.156 643 L HA -0.055 4.277 4.340 -0.013 0.000 0.208 643 L C 2.811 179.699 176.870 0.030 0.000 1.095 643 L CA 0.616 55.480 54.840 0.039 0.000 0.770 643 L CB -0.419 41.645 42.059 0.007 0.000 0.914 643 L HN 0.063 nan 8.230 nan 0.000 0.439 644 L N -1.327 119.902 121.223 0.010 0.000 2.056 644 L HA -0.186 4.146 4.340 -0.013 0.000 0.207 644 L C 2.576 179.558 176.870 0.187 0.000 1.078 644 L CA 1.189 56.056 54.840 0.046 0.000 0.749 644 L CB -0.548 41.502 42.059 -0.015 0.000 0.901 644 L HN 0.099 nan 8.230 nan 0.000 0.433 645 F N 0.639 120.724 119.950 0.225 0.000 2.126 645 F HA -0.217 4.301 4.527 -0.015 0.000 0.299 645 F C 2.601 178.556 175.800 0.258 0.000 1.096 645 F CA 1.288 59.467 58.000 0.298 0.000 1.255 645 F CB -0.577 38.526 39.000 0.171 0.000 0.997 645 F HN 0.110 nan 8.300 nan 0.000 0.479 646 E N -0.215 120.163 120.200 0.297 0.000 2.031 646 E HA -0.272 4.070 4.350 -0.013 0.000 0.193 646 E C 2.127 178.763 176.600 0.060 0.000 0.994 646 E CA 1.445 57.932 56.400 0.145 0.000 0.800 646 E CB -0.262 29.486 29.700 0.080 0.000 0.752 646 E HN 0.312 nan 8.360 nan 0.000 0.447 647 E N 0.307 120.493 120.200 -0.023 0.000 2.097 647 E HA -0.193 4.149 4.350 -0.013 0.000 0.196 647 E C 1.196 177.630 176.600 -0.276 0.000 1.000 647 E CA 1.301 57.562 56.400 -0.233 0.000 0.804 647 E CB -0.155 29.275 29.700 -0.450 0.000 0.740 647 E HN 0.155 nan 8.360 nan 0.000 0.454 648 F N -1.002 119.008 119.950 0.100 0.000 2.693 648 F HA 0.357 4.877 4.527 -0.012 0.000 0.303 648 F C 1.513 177.216 175.800 -0.161 0.000 1.097 648 F CA 0.524 58.568 58.000 0.073 0.000 1.330 648 F CB 0.850 40.010 39.000 0.266 0.000 1.067 648 F HN 0.209 nan 8.300 nan 0.000 0.565 649 G N -0.207 108.585 108.800 -0.013 0.000 2.132 649 G HA2 -0.306 3.646 3.960 -0.013 0.000 0.234 649 G HA3 -0.306 3.646 3.960 -0.013 0.000 0.234 649 G C 0.108 174.802 174.900 -0.343 0.000 0.989 649 G CA -0.502 44.480 45.100 -0.195 0.000 0.676 649 G HN 0.204 nan 8.290 nan 0.000 0.522 650 F N 2.671 122.714 119.950 0.156 0.000 2.640 650 F HA 0.499 5.019 4.527 -0.011 0.000 0.354 650 F C 1.201 177.014 175.800 0.023 0.000 1.213 650 F CA 0.423 58.480 58.000 0.094 0.000 1.314 650 F CB 0.319 39.431 39.000 0.186 0.000 1.679 650 F HN 0.270 nan 8.300 nan 0.000 0.622 651 T N -3.591 111.000 114.554 0.060 0.000 2.906 651 T HA 0.420 4.762 4.350 -0.013 0.000 0.295 651 T C 0.797 175.485 174.700 -0.020 0.000 1.061 651 T CA -0.769 61.345 62.100 0.023 0.000 1.000 651 T CB 1.652 70.531 68.868 0.018 0.000 1.103 651 T HN -0.089 nan 8.240 nan 0.000 0.486 652 V N 1.466 121.360 119.914 -0.033 0.000 2.282 652 V HA -0.170 3.942 4.120 -0.013 0.000 0.249 652 V C 2.405 178.476 176.094 -0.038 0.000 1.057 652 V CA 2.202 64.471 62.300 -0.052 0.000 1.032 652 V CB -0.803 30.988 31.823 -0.053 0.000 0.645 652 V HN 0.894 nan 8.190 nan 0.000 0.447 653 D N 0.057 120.441 120.400 -0.027 0.000 2.104 653 D HA -0.181 4.451 4.640 -0.013 0.000 0.194 653 D C 2.085 178.371 176.300 -0.023 0.000 0.994 653 D CA 1.777 55.764 54.000 -0.022 0.000 0.830 653 D CB -0.494 40.295 40.800 -0.019 0.000 0.959 653 D HN 0.495 nan 8.370 nan 0.000 0.452 654 N N 0.031 118.712 118.700 -0.032 0.000 2.142 654 N HA -0.118 4.614 4.740 -0.013 0.000 0.186 654 N C 1.683 177.171 175.510 -0.036 0.000 1.023 654 N CA 0.778 53.802 53.050 -0.044 0.000 0.852 654 N CB -0.060 38.384 38.487 -0.072 0.000 0.998 654 N HN -0.057 nan 8.380 nan 0.000 0.424 655 V N -0.197 119.697 119.914 -0.033 0.000 2.343 655 V HA -0.179 3.933 4.120 -0.013 0.000 0.247 655 V C 2.281 178.418 176.094 0.072 0.000 1.051 655 V CA 1.326 63.630 62.300 0.006 0.000 1.036 655 V CB -0.504 31.295 31.823 -0.040 0.000 0.654 655 V HN 0.182 nan 8.190 nan 0.000 0.451 656 V N 0.323 120.260 119.914 0.037 0.000 2.295 656 V HA -0.263 3.849 4.120 -0.013 0.000 0.246 656 V C 2.716 178.837 176.094 0.045 0.000 1.049 656 V CA 2.084 64.422 62.300 0.064 0.000 1.024 656 V CB -1.142 30.695 31.823 0.023 0.000 0.648 656 V HN 0.561 nan 8.190 nan 0.000 0.447 657 A N -0.382 122.445 122.820 0.013 0.000 1.902 657 A HA -0.197 4.115 4.320 -0.013 0.000 0.217 657 A C 2.286 179.867 177.584 -0.004 0.000 1.181 657 A CA 1.638 53.673 52.037 -0.003 0.000 0.623 657 A CB -0.397 18.592 19.000 -0.018 0.000 0.818 657 A HN 0.425 nan 8.150 nan 0.000 0.443 658 K N -0.117 120.281 120.400 -0.003 0.000 2.097 658 K HA -0.019 4.293 4.320 -0.013 0.000 0.205 658 K C 2.263 178.855 176.600 -0.014 0.000 1.050 658 K CA 1.237 57.515 56.287 -0.013 0.000 0.938 658 K CB -0.693 31.793 32.500 -0.024 0.000 0.718 658 K HN 0.457 nan 8.250 nan 0.000 0.442 659 A N 1.959 124.789 122.820 0.016 0.000 1.877 659 A HA -0.170 4.142 4.320 -0.013 0.000 0.216 659 A C 2.113 179.668 177.584 -0.048 0.000 1.186 659 A CA 1.545 53.560 52.037 -0.036 0.000 0.620 659 A CB -0.295 18.733 19.000 0.047 0.000 0.822 659 A HN 0.242 nan 8.150 nan 0.000 0.443 660 K N -0.609 119.789 120.400 -0.003 0.000 2.097 660 K HA -0.160 4.152 4.320 -0.013 0.000 0.205 660 K C 2.126 178.738 176.600 0.021 0.000 1.050 660 K CA 1.391 57.683 56.287 0.009 0.000 0.938 660 K CB -0.126 32.387 32.500 0.022 0.000 0.718 660 K HN 0.714 nan 8.250 nan 0.000 0.442 661 E N 1.114 121.320 120.200 0.010 0.000 2.077 661 E HA -0.223 4.119 4.350 -0.013 0.000 0.193 661 E C 2.050 178.690 176.600 0.066 0.000 0.989 661 E CA 0.838 57.255 56.400 0.029 0.000 0.800 661 E CB 0.015 29.713 29.700 -0.004 0.000 0.746 661 E HN 0.104 nan 8.360 nan 0.000 0.452 662 L N 0.951 122.178 121.223 0.007 0.000 2.017 662 L HA -0.168 4.164 4.340 -0.013 0.000 0.208 662 L C 2.212 179.074 176.870 -0.013 0.000 1.073 662 L CA 1.600 56.446 54.840 0.010 0.000 0.745 662 L CB -0.428 41.576 42.059 -0.092 0.000 0.894 662 L HN 0.241 nan 8.230 nan 0.000 0.432 663 L N -1.272 119.858 121.223 -0.155 0.000 2.083 663 L HA -0.244 4.088 4.340 -0.013 0.000 0.209 663 L C 2.688 179.265 176.870 -0.488 0.000 1.083 663 L CA 1.423 56.027 54.840 -0.392 0.000 0.752 663 L CB -0.936 40.944 42.059 -0.299 0.000 0.899 663 L HN 0.494 nan 8.230 nan 0.000 0.433 664 H N -0.675 118.292 119.070 -0.172 0.000 2.353 664 H HA -0.253 4.295 4.556 -0.013 0.000 0.300 664 H C 2.299 177.640 175.328 0.023 0.000 1.090 664 H CA 2.307 58.343 56.048 -0.019 0.000 1.327 664 H CB 0.111 29.900 29.762 0.044 0.000 1.383 664 H HN 0.404 nan 8.280 nan 0.000 0.508 665 H N -0.351 118.757 119.070 0.063 0.000 2.321 665 H HA -0.133 4.415 4.556 -0.013 0.000 0.300 665 H C 2.170 177.491 175.328 -0.012 0.000 1.087 665 H CA 2.283 58.356 56.048 0.042 0.000 1.319 665 H CB -0.203 29.608 29.762 0.082 0.000 1.379 665 H HN 0.366 nan 8.280 nan 0.000 0.501 666 H N -0.796 118.183 119.070 -0.152 0.000 2.387 666 H HA -0.028 4.519 4.556 -0.013 0.000 0.299 666 H C 0.685 175.925 175.328 -0.148 0.000 1.099 666 H CA 1.460 57.398 56.048 -0.184 0.000 1.315 666 H CB -0.348 29.308 29.762 -0.177 0.000 1.380 666 H HN 0.580 nan 8.280 nan 0.000 0.513 667 H N 0.000 119.061 119.070 -0.014 0.000 2.539 667 H HA 0.000 4.548 4.556 -0.013 0.000 0.296 667 H CA 0.000 55.992 56.048 -0.094 0.000 1.023 667 H CB 0.000 29.696 29.762 -0.110 0.000 1.292 667 H HN 0.000 nan 8.280 nan 0.000 0.496