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 1qgd_1_A DATA FIRST_RESID 2 DATA SEQUENCE SSRKELANAI RALSMDAVQK AKSGHPGAPM GMADIAEVLW RDFLKHNPQN DATA SEQUENCE PSWADRDRFV LSNGHGSMLI YSLLHLTGYD LPMEELKNFR QLHSKTPGHP DATA SEQUENCE EVGKTAGVET 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 LL 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 0.017 0.000 1.055 2 S CA 0.000 58.219 58.200 0.032 0.000 1.107 2 S CB 0.000 63.235 63.200 0.058 0.000 0.593 3 S N 1.521 117.241 115.700 0.033 0.000 2.589 3 S HA 0.298 4.769 4.470 0.002 0.000 0.265 3 S C 1.150 175.758 174.600 0.013 0.000 1.342 3 S CA -0.523 57.691 58.200 0.023 0.000 1.005 3 S CB 0.377 63.600 63.200 0.040 0.000 0.909 3 S HN 0.735 nan 8.310 nan 0.000 0.555 4 R N 1.018 121.514 120.500 -0.007 0.000 2.081 4 R HA -0.082 4.259 4.340 0.002 0.000 0.235 4 R C 2.279 178.588 176.300 0.015 0.000 1.131 4 R CA 1.606 57.689 56.100 -0.029 0.000 0.960 4 R CB -0.403 29.877 30.300 -0.033 0.000 0.856 4 R HN 0.682 nan 8.270 nan 0.000 0.436 5 K N 0.562 120.988 120.400 0.043 0.000 2.097 5 K HA -0.168 4.153 4.320 0.002 0.000 0.206 5 K C 2.032 178.707 176.600 0.125 0.000 1.049 5 K CA 1.053 57.384 56.287 0.073 0.000 0.933 5 K CB -0.046 32.506 32.500 0.086 0.000 0.717 5 K HN 0.257 nan 8.250 nan 0.000 0.442 6 E N 0.941 121.231 120.200 0.150 0.000 2.106 6 E HA -0.134 4.217 4.350 0.002 0.000 0.192 6 E C 2.041 178.819 176.600 0.297 0.000 0.984 6 E CA 0.655 57.208 56.400 0.255 0.000 0.806 6 E CB 0.080 29.916 29.700 0.226 0.000 0.750 6 E HN 0.247 nan 8.360 nan 0.000 0.458 7 L N 0.124 121.462 121.223 0.193 0.000 2.056 7 L HA -0.149 4.192 4.340 0.002 0.000 0.207 7 L C 2.609 179.709 176.870 0.384 0.000 1.078 7 L CA 1.066 56.064 54.840 0.263 0.000 0.749 7 L CB -0.437 41.563 42.059 -0.100 0.000 0.901 7 L HN 0.121 nan 8.230 nan 0.000 0.433 8 A N 0.085 123.032 122.820 0.211 0.000 1.969 8 A HA -0.170 4.151 4.320 0.002 0.000 0.218 8 A C 1.955 179.570 177.584 0.051 0.000 1.169 8 A CA 1.507 53.647 52.037 0.170 0.000 0.635 8 A CB -0.489 18.555 19.000 0.073 0.000 0.810 8 A HN 0.419 nan 8.150 nan 0.000 0.445 9 N N 0.653 119.373 118.700 0.033 0.000 2.381 9 N HA -0.064 4.677 4.740 0.002 0.000 0.182 9 N C 1.728 176.890 175.510 -0.580 0.000 1.025 9 N CA 1.197 54.155 53.050 -0.153 0.000 0.888 9 N CB -0.473 38.026 38.487 0.020 0.000 0.965 9 N HN 0.493 nan 8.380 nan 0.000 0.438 10 A N 1.230 123.799 122.820 -0.417 0.000 1.908 10 A HA -0.097 4.224 4.320 0.002 0.000 0.218 10 A C 2.255 179.553 177.584 -0.476 0.000 1.181 10 A CA 0.907 52.621 52.037 -0.539 0.000 0.627 10 A CB -0.601 18.352 19.000 -0.077 0.000 0.818 10 A HN 0.225 nan 8.150 nan 0.000 0.445 11 I N -0.874 119.496 120.570 -0.334 0.000 2.226 11 I HA -0.290 3.881 4.170 0.002 0.000 0.245 11 I C 2.773 178.700 176.117 -0.317 0.000 1.100 11 I CA 1.461 62.565 61.300 -0.327 0.000 1.374 11 I CB -0.435 37.417 38.000 -0.246 0.000 1.057 11 I HN 0.311 nan 8.210 nan 0.000 0.413 12 R N 0.913 121.231 120.500 -0.304 0.000 2.083 12 R HA -0.159 4.182 4.340 0.002 0.000 0.237 12 R C 2.481 178.560 176.300 -0.369 0.000 1.137 12 R CA 1.627 57.563 56.100 -0.274 0.000 0.951 12 R CB -0.562 29.618 30.300 -0.200 0.000 0.851 12 R HN 0.386 nan 8.270 nan 0.000 0.434 13 A N 1.421 123.881 122.820 -0.600 0.000 1.855 13 A HA -0.114 4.207 4.320 0.002 0.000 0.215 13 A C 2.254 179.571 177.584 -0.445 0.000 1.191 13 A CA 1.089 52.751 52.037 -0.625 0.000 0.613 13 A CB -0.620 17.698 19.000 -1.136 0.000 0.829 13 A HN 0.163 nan 8.150 nan 0.000 0.442 14 L N -0.163 120.809 121.223 -0.419 0.000 2.042 14 L HA -0.210 4.131 4.340 0.002 0.000 0.210 14 L C 2.892 179.577 176.870 -0.309 0.000 1.076 14 L CA 1.601 56.233 54.840 -0.347 0.000 0.749 14 L CB -0.472 41.428 42.059 -0.265 0.000 0.893 14 L HN 0.359 nan 8.230 nan 0.000 0.432 15 S N 0.254 115.780 115.700 -0.290 0.000 2.355 15 S HA -0.195 4.276 4.470 0.002 0.000 0.222 15 S C 1.940 176.411 174.600 -0.215 0.000 1.031 15 S CA 1.878 59.922 58.200 -0.260 0.000 0.993 15 S CB -0.282 62.785 63.200 -0.222 0.000 0.859 15 S HN 0.518 nan 8.310 nan 0.000 0.453 16 M N 1.218 120.697 119.600 -0.201 0.000 2.229 16 M HA -0.029 4.452 4.480 0.002 0.000 0.264 16 M C 0.884 177.098 176.300 -0.144 0.000 1.063 16 M CA 1.587 56.800 55.300 -0.144 0.000 1.114 16 M CB -0.617 31.906 32.600 -0.128 0.000 1.387 16 M HN -0.055 nan 8.290 nan 0.000 0.420 17 D N 1.525 121.781 120.400 -0.239 0.000 2.149 17 D HA 0.024 4.665 4.640 0.002 0.000 0.201 17 D C 2.315 178.548 176.300 -0.113 0.000 0.972 17 D CA 1.757 55.586 54.000 -0.285 0.000 0.835 17 D CB -0.145 40.253 40.800 -0.670 0.000 0.966 17 D HN 0.546 nan 8.370 nan 0.000 0.476 18 A N 0.683 123.457 122.820 -0.078 0.000 1.930 18 A HA -0.097 4.224 4.320 0.002 0.000 0.217 18 A C 2.499 180.200 177.584 0.196 0.000 1.175 18 A CA 0.894 53.040 52.037 0.181 0.000 0.627 18 A CB -0.648 18.352 19.000 0.000 0.000 0.815 18 A HN 0.124 nan 8.150 nan 0.000 0.443 19 V N -0.209 119.751 119.914 0.077 0.000 2.343 19 V HA -0.270 3.851 4.120 0.002 0.000 0.247 19 V C 2.747 178.923 176.094 0.138 0.000 1.051 19 V CA 2.352 64.763 62.300 0.185 0.000 1.036 19 V CB -0.656 31.217 31.823 0.083 0.000 0.654 19 V HN 0.670 nan 8.190 nan 0.000 0.451 20 Q N 0.548 120.395 119.800 0.077 0.000 2.084 20 Q HA -0.210 4.131 4.340 0.002 0.000 0.202 20 Q C 2.225 178.285 176.000 0.100 0.000 0.978 20 Q CA 2.017 57.858 55.803 0.063 0.000 0.844 20 Q CB -0.387 28.367 28.738 0.027 0.000 0.898 20 Q HN 0.593 nan 8.270 nan 0.000 0.426 21 K N -1.001 119.496 120.400 0.161 0.000 2.057 21 K HA -0.092 4.229 4.320 0.002 0.000 0.207 21 K C 1.770 178.444 176.600 0.122 0.000 1.049 21 K CA 1.264 57.652 56.287 0.168 0.000 0.931 21 K CB -0.254 32.401 32.500 0.259 0.000 0.714 21 K HN 0.253 nan 8.250 nan 0.000 0.440 22 A N 0.676 123.590 122.820 0.157 0.000 2.014 22 A HA -0.042 4.279 4.320 0.002 0.000 0.218 22 A C 0.510 178.123 177.584 0.048 0.000 1.163 22 A CA 1.211 53.306 52.037 0.097 0.000 0.652 22 A CB -0.158 18.921 19.000 0.132 0.000 0.808 22 A HN 0.444 nan 8.150 nan 0.000 0.449 23 K N -1.024 119.414 120.400 0.063 0.000 3.117 23 K HA -0.129 4.192 4.320 0.002 0.000 0.269 23 K C -0.182 176.422 176.600 0.008 0.000 1.098 23 K CA 0.761 57.066 56.287 0.030 0.000 0.785 23 K CB -1.844 30.665 32.500 0.014 0.000 1.242 23 K HN 0.537 nan 8.250 nan 0.000 0.491 24 S N -1.376 114.337 115.700 0.023 0.000 2.543 24 S HA 0.754 5.225 4.470 0.002 0.000 0.274 24 S C -0.567 174.050 174.600 0.028 0.000 1.149 24 S CA 0.315 58.501 58.200 -0.023 0.000 0.866 24 S CB 1.941 65.100 63.200 -0.069 0.000 1.111 24 S HN 1.055 nan 8.310 nan 0.000 0.457 25 G N 2.436 111.205 108.800 -0.051 0.000 2.353 25 G HA2 0.219 4.180 3.960 0.002 0.000 0.615 25 G HA3 0.219 4.180 3.960 0.002 0.000 0.615 25 G C -2.009 172.799 174.900 -0.154 0.000 1.280 25 G CA -0.780 44.389 45.100 0.115 0.000 1.000 25 G HN 1.044 nan 8.290 nan 0.000 0.516 26 H N 1.022 120.137 119.070 0.075 0.000 2.887 26 H HA 0.512 5.069 4.556 0.002 0.000 0.300 26 H C -1.610 173.696 175.328 -0.037 0.000 1.038 26 H CA -1.179 54.843 56.048 -0.042 0.000 1.352 26 H CB 2.166 31.889 29.762 -0.066 0.000 1.473 26 H HN 0.359 nan 8.280 nan 0.000 0.503 27 P HA 0.002 nan 4.420 nan 0.000 0.230 27 P C 1.556 178.864 177.300 0.013 0.000 1.168 27 P CA 0.626 63.724 63.100 -0.004 0.000 0.793 27 P CB 0.516 32.201 31.700 -0.026 0.000 0.851 28 G N 1.452 110.276 108.800 0.041 0.000 2.480 28 G HA2 -0.272 3.689 3.960 0.002 0.000 0.216 28 G HA3 -0.272 3.689 3.960 0.002 0.000 0.216 28 G C 1.809 176.761 174.900 0.087 0.000 1.200 28 G CA 1.325 46.470 45.100 0.075 0.000 0.782 28 G HN 0.329 nan 8.290 nan 0.000 0.554 29 A N 1.546 124.427 122.820 0.101 0.000 1.902 29 A HA 0.083 4.404 4.320 0.002 0.000 0.217 29 A C 0.822 178.416 177.584 0.017 0.000 1.181 29 A CA 2.031 54.111 52.037 0.072 0.000 0.623 29 A CB -1.183 17.852 19.000 0.059 0.000 0.818 29 A HN 0.393 nan 8.150 nan 0.000 0.443 30 P HA -0.139 nan 4.420 nan 0.000 0.215 30 P C 1.631 178.909 177.300 -0.036 0.000 1.153 30 P CA 1.369 64.437 63.100 -0.053 0.000 0.853 30 P CB -0.143 31.497 31.700 -0.101 0.000 0.788 31 M N -1.614 117.983 119.600 -0.005 0.000 2.254 31 M HA -0.016 4.465 4.480 0.002 0.000 0.265 31 M C 2.226 178.587 176.300 0.102 0.000 1.066 31 M CA 1.898 57.219 55.300 0.035 0.000 1.123 31 M CB -1.141 31.488 32.600 0.049 0.000 1.388 31 M HN -0.011 nan 8.290 nan 0.000 0.425 32 G N 0.078 108.943 108.800 0.107 0.000 2.408 32 G HA2 -0.128 3.833 3.960 0.002 0.000 0.217 32 G HA3 -0.128 3.833 3.960 0.002 0.000 0.217 32 G C 1.428 176.349 174.900 0.035 0.000 1.150 32 G CA 0.433 45.621 45.100 0.147 0.000 0.776 32 G HN 0.375 nan 8.290 nan 0.000 0.542 33 M N 0.751 120.329 119.600 -0.036 0.000 2.383 33 M HA 0.322 4.803 4.480 0.002 0.000 0.247 33 M C 2.542 178.797 176.300 -0.076 0.000 1.117 33 M CA 0.118 55.344 55.300 -0.124 0.000 0.995 33 M CB 0.681 33.202 32.600 -0.132 0.000 1.480 33 M HN 0.278 nan 8.290 nan 0.000 0.485 34 A N 1.256 124.048 122.820 -0.046 0.000 1.908 34 A HA -0.183 4.138 4.320 0.002 0.000 0.218 34 A C 1.709 179.286 177.584 -0.013 0.000 1.181 34 A CA 1.829 53.846 52.037 -0.033 0.000 0.627 34 A CB -0.435 18.538 19.000 -0.045 0.000 0.818 34 A HN 0.411 nan 8.150 nan 0.000 0.445 35 D N -0.067 120.302 120.400 -0.052 0.000 2.144 35 D HA -0.096 4.545 4.640 0.002 0.000 0.200 35 D C 1.879 178.153 176.300 -0.045 0.000 0.978 35 D CA 1.258 55.230 54.000 -0.048 0.000 0.833 35 D CB -0.289 40.462 40.800 -0.082 0.000 0.961 35 D HN 0.559 nan 8.370 nan 0.000 0.470 36 I N 1.506 122.015 120.570 -0.101 0.000 2.252 36 I HA -0.195 3.976 4.170 0.002 0.000 0.245 36 I C 2.631 178.752 176.117 0.007 0.000 1.102 36 I CA 0.860 62.090 61.300 -0.116 0.000 1.385 36 I CB -0.224 37.581 38.000 -0.325 0.000 1.064 36 I HN -0.102 nan 8.210 nan 0.000 0.414 37 A N 0.248 123.129 122.820 0.102 0.000 1.902 37 A HA -0.235 4.086 4.320 0.002 0.000 0.217 37 A C 2.369 180.068 177.584 0.192 0.000 1.181 37 A CA 1.630 53.787 52.037 0.200 0.000 0.623 37 A CB -0.546 18.494 19.000 0.066 0.000 0.818 37 A HN 0.417 nan 8.150 nan 0.000 0.443 38 E N 0.306 120.607 120.200 0.168 0.000 2.058 38 E HA -0.152 4.199 4.350 0.002 0.000 0.194 38 E C 2.100 178.728 176.600 0.046 0.000 0.997 38 E CA 1.797 58.278 56.400 0.136 0.000 0.801 38 E CB -0.303 29.435 29.700 0.064 0.000 0.746 38 E HN 0.318 nan 8.360 nan 0.000 0.450 39 V N 1.671 121.628 119.914 0.072 0.000 2.261 39 V HA -0.269 3.852 4.120 0.002 0.000 0.246 39 V C 2.693 178.918 176.094 0.219 0.000 1.047 39 V CA 1.746 64.115 62.300 0.115 0.000 1.015 39 V CB -0.684 31.233 31.823 0.158 0.000 0.642 39 V HN 0.266 nan 8.190 nan 0.000 0.446 40 L N -0.764 120.589 121.223 0.218 0.000 1.989 40 L HA -0.153 4.188 4.340 0.002 0.000 0.211 40 L C 2.060 179.009 176.870 0.132 0.000 1.071 40 L CA 2.212 57.164 54.840 0.187 0.000 0.749 40 L CB -0.775 41.290 42.059 0.010 0.000 0.890 40 L HN 0.394 nan 8.230 nan 0.000 0.431 41 W N 0.116 121.374 121.300 -0.071 0.000 2.418 41 W HA -0.005 4.657 4.660 0.003 0.000 0.292 41 W C 2.815 179.346 176.519 0.020 0.000 1.213 41 W CA 1.231 58.538 57.345 -0.063 0.000 1.283 41 W CB -0.254 29.207 29.460 0.000 0.000 1.119 41 W HN 0.058 nan 8.180 nan 0.000 0.542 42 R N -0.587 120.006 120.500 0.155 0.000 2.127 42 R HA -0.054 4.287 4.340 0.002 0.000 0.217 42 R C 1.027 177.278 176.300 -0.081 0.000 1.074 42 R CA 1.402 57.494 56.100 -0.013 0.000 0.991 42 R CB -0.266 29.881 30.300 -0.256 0.000 0.895 42 R HN 0.050 nan 8.270 nan 0.000 0.450 43 D N -1.305 119.001 120.400 -0.156 0.000 2.392 43 D HA 0.057 4.698 4.640 0.002 0.000 0.206 43 D C 0.728 176.614 176.300 -0.690 0.000 1.046 43 D CA 0.760 54.492 54.000 -0.447 0.000 0.865 43 D CB 0.393 40.786 40.800 -0.679 0.000 0.969 43 D HN 0.081 nan 8.370 nan 0.000 0.509 44 F N -0.397 119.531 119.950 -0.037 0.000 2.658 44 F HA 0.271 4.799 4.527 0.002 0.000 0.293 44 F C 0.520 176.294 175.800 -0.043 0.000 0.986 44 F CA -0.587 57.385 58.000 -0.046 0.000 1.182 44 F CB 0.165 39.103 39.000 -0.104 0.000 0.965 44 F HN -0.203 nan 8.300 nan 0.000 0.659 45 L N 2.301 123.532 121.223 0.014 0.000 2.490 45 L HA 0.105 4.446 4.340 0.002 0.000 0.274 45 L C 0.384 177.338 176.870 0.140 0.000 1.201 45 L CA 0.256 55.055 54.840 -0.068 0.000 0.869 45 L CB 0.333 42.034 42.059 -0.596 0.000 1.123 45 L HN 0.020 nan 8.230 nan 0.000 0.484 46 K N 4.763 125.279 120.400 0.193 0.000 2.292 46 K HA 0.415 4.736 4.320 0.002 0.000 0.270 46 K C -1.273 175.524 176.600 0.329 0.000 1.062 46 K CA -0.410 56.039 56.287 0.271 0.000 0.916 46 K CB 0.241 32.875 32.500 0.223 0.000 1.166 46 K HN 0.959 nan 8.250 nan 0.000 0.458 47 H N 0.046 119.244 119.070 0.215 0.000 3.014 47 H HA 0.398 4.957 4.556 0.005 0.000 0.337 47 H C -1.624 173.864 175.328 0.267 0.000 1.320 47 H CA -1.306 54.894 56.048 0.253 0.000 1.128 47 H CB 1.166 30.988 29.762 0.100 0.000 1.862 47 H HN 0.333 nan 8.280 nan 0.000 0.536 48 N N 1.404 120.187 118.700 0.139 0.000 2.491 48 N HA 0.295 5.036 4.740 0.002 0.000 0.274 48 N C -2.327 173.029 175.510 -0.256 0.000 1.023 48 N CA -2.759 50.195 53.050 -0.160 0.000 0.902 48 N CB 2.027 40.408 38.487 -0.177 0.000 1.267 48 N HN 0.378 nan 8.380 nan 0.000 0.503 49 P HA -0.087 nan 4.420 nan 0.000 0.220 49 P C 0.592 177.558 177.300 -0.556 0.000 1.148 49 P CA 1.231 63.706 63.100 -1.041 0.000 0.803 49 P CB 0.390 31.602 31.700 -0.813 0.000 0.782 50 Q N -1.770 117.846 119.800 -0.307 0.000 2.451 50 Q HA 0.011 4.352 4.340 0.002 0.000 0.206 50 Q C 0.319 176.253 176.000 -0.110 0.000 0.947 50 Q CA 0.438 56.136 55.803 -0.175 0.000 0.937 50 Q CB -0.139 28.509 28.738 -0.149 0.000 1.025 50 Q HN 0.136 nan 8.270 nan 0.000 0.511 51 N N -0.138 118.508 118.700 -0.090 0.000 2.710 51 N HA 0.166 4.907 4.740 0.002 0.000 0.244 51 N C -2.557 173.003 175.510 0.084 0.000 1.321 51 N CA -1.689 51.356 53.050 -0.008 0.000 0.758 51 N CB 1.302 39.770 38.487 -0.032 0.000 1.284 51 N HN -0.235 nan 8.380 nan 0.000 0.530 52 P HA 0.064 nan 4.420 nan 0.000 0.230 52 P C 0.285 177.663 177.300 0.129 0.000 1.158 52 P CA 0.791 64.024 63.100 0.221 0.000 0.769 52 P CB 0.416 32.287 31.700 0.285 0.000 0.807 53 S N -2.366 113.384 115.700 0.082 0.000 2.577 53 S HA 0.045 4.516 4.470 0.002 0.000 0.219 53 S C 0.056 174.669 174.600 0.022 0.000 0.962 53 S CA -0.635 57.578 58.200 0.022 0.000 0.921 53 S CB -0.543 62.661 63.200 0.006 0.000 0.789 53 S HN 0.269 nan 8.310 nan 0.000 0.497 54 W N 3.095 124.296 121.300 -0.166 0.000 2.443 54 W HA 0.205 4.880 4.660 0.024 0.000 0.335 54 W C 1.050 177.326 176.519 -0.404 0.000 1.382 54 W CA -0.790 56.390 57.345 -0.275 0.000 1.305 54 W CB -0.149 29.162 29.460 -0.249 0.000 1.283 54 W HN 0.199 nan 8.180 nan 0.000 0.567 55 A N 3.992 126.573 122.820 -0.397 0.000 1.972 55 A HA -0.219 4.102 4.320 0.002 0.000 0.219 55 A C 1.545 178.596 177.584 -0.888 0.000 1.169 55 A CA 1.966 53.669 52.037 -0.556 0.000 0.635 55 A CB -0.382 18.418 19.000 -0.333 0.000 0.810 55 A HN 0.614 nan 8.150 nan 0.000 0.446 56 D N -0.677 118.775 120.400 -1.578 0.000 2.388 56 D HA 0.071 4.712 4.640 0.002 0.000 0.221 56 D C 0.722 176.042 176.300 -1.634 0.000 1.133 56 D CA -0.342 52.850 54.000 -1.346 0.000 0.831 56 D CB -0.116 39.990 40.800 -1.157 0.000 0.962 56 D HN 0.587 nan 8.370 nan 0.000 0.502 57 R N 0.109 119.592 120.500 -1.694 0.000 2.734 57 R HA 0.141 4.482 4.340 0.002 0.000 0.266 57 R C -0.313 175.579 176.300 -0.681 0.000 1.044 57 R CA -0.321 55.130 56.100 -1.081 0.000 1.128 57 R CB 0.464 30.472 30.300 -0.487 0.000 1.010 57 R HN -0.137 nan 8.270 nan 0.000 0.461 58 D N 1.298 121.535 120.400 -0.272 0.000 2.382 58 D HA 0.091 4.732 4.640 0.002 0.000 0.240 58 D C -0.270 175.994 176.300 -0.060 0.000 1.146 58 D CA 0.182 54.165 54.000 -0.028 0.000 0.897 58 D CB 0.640 41.555 40.800 0.192 0.000 1.197 58 D HN 0.296 nan 8.370 nan 0.000 0.432 59 R N 0.577 121.101 120.500 0.040 0.000 2.393 59 R HA 0.435 4.776 4.340 0.002 0.000 0.310 59 R C -0.929 175.478 176.300 0.179 0.000 0.968 59 R CA -0.670 55.467 56.100 0.062 0.000 0.867 59 R CB 0.716 31.056 30.300 0.066 0.000 1.124 59 R HN 0.305 nan 8.270 nan 0.000 0.450 60 F N 3.113 123.069 119.950 0.009 0.000 2.495 60 F HA 0.650 5.177 4.527 0.001 0.000 0.327 60 F C -1.060 174.759 175.800 0.032 0.000 1.103 60 F CA -0.868 57.150 58.000 0.030 0.000 0.949 60 F CB 1.344 40.307 39.000 -0.061 0.000 1.142 60 F HN 0.185 nan 8.300 nan 0.000 0.457 61 V N 7.293 126.739 119.914 -0.779 0.000 2.525 61 V HA 0.310 4.431 4.120 0.002 0.000 0.299 61 V C -1.013 174.641 176.094 -0.733 0.000 1.034 61 V CA -0.775 61.219 62.300 -0.511 0.000 0.863 61 V CB 1.628 33.333 31.823 -0.197 0.000 0.999 61 V HN 0.674 nan 8.190 nan 0.000 0.423 62 L N 4.314 125.267 121.223 -0.450 0.000 2.315 62 L HA 0.402 4.743 4.340 0.002 0.000 0.278 62 L C 1.385 178.209 176.870 -0.078 0.000 1.088 62 L CA 0.872 55.574 54.840 -0.230 0.000 0.899 62 L CB 1.149 43.170 42.059 -0.063 0.000 1.277 62 L HN 0.700 nan 8.230 nan 0.000 0.431 63 S N 2.659 118.343 115.700 -0.026 0.000 2.402 63 S HA -0.063 4.408 4.470 0.002 0.000 0.229 63 S C 0.936 175.559 174.600 0.039 0.000 1.021 63 S CA 0.989 59.200 58.200 0.019 0.000 0.974 63 S CB -0.305 62.924 63.200 0.049 0.000 0.800 63 S HN 0.875 nan 8.310 nan 0.000 0.484 64 N N 1.499 120.214 118.700 0.024 0.000 3.124 64 N HA 0.214 4.955 4.740 0.002 0.000 0.284 64 N C 0.775 176.130 175.510 -0.258 0.000 1.209 64 N CA 0.255 53.264 53.050 -0.068 0.000 1.149 64 N CB -0.266 38.168 38.487 -0.088 0.000 1.434 64 N HN 0.237 nan 8.380 nan 0.000 0.529 65 G N 0.837 109.609 108.800 -0.047 0.000 2.470 65 G HA2 -0.304 3.657 3.960 0.002 0.000 0.220 65 G HA3 -0.304 3.657 3.960 0.002 0.000 0.220 65 G C 1.204 176.120 174.900 0.028 0.000 1.121 65 G CA 0.602 45.716 45.100 0.022 0.000 0.766 65 G HN 0.763 nan 8.290 nan 0.000 0.553 66 H N 0.077 119.176 119.070 0.048 0.000 2.489 66 H HA -0.006 4.551 4.556 0.002 0.000 0.293 66 H C 2.010 177.172 175.328 -0.277 0.000 1.066 66 H CA 0.826 56.694 56.048 -0.300 0.000 1.305 66 H CB -0.701 28.720 29.762 -0.568 0.000 1.386 66 H HN 0.206 nan 8.280 nan 0.000 0.551 67 G N 1.601 110.134 108.800 -0.445 0.000 3.471 67 G HA2 0.067 4.028 3.960 0.002 0.000 0.254 67 G HA3 0.067 4.028 3.960 0.002 0.000 0.254 67 G C 1.226 176.005 174.900 -0.203 0.000 1.199 67 G CA 0.233 45.198 45.100 -0.224 0.000 1.683 67 G HN 0.554 nan 8.290 nan 0.000 0.625 68 S N 0.345 115.923 115.700 -0.204 0.000 2.399 68 S HA -0.153 4.318 4.470 0.002 0.000 0.231 68 S C 2.239 176.519 174.600 -0.533 0.000 1.022 68 S CA 0.581 58.564 58.200 -0.362 0.000 0.983 68 S CB -0.185 62.894 63.200 -0.202 0.000 0.803 68 S HN 0.232 nan 8.310 nan 0.000 0.480 69 M N 1.032 120.420 119.600 -0.353 0.000 2.279 69 M HA 0.104 4.585 4.480 0.002 0.000 0.264 69 M C 2.023 178.133 176.300 -0.317 0.000 1.062 69 M CA 0.751 55.827 55.300 -0.373 0.000 1.099 69 M CB -1.411 30.916 32.600 -0.456 0.000 1.394 69 M HN 0.463 nan 8.290 nan 0.000 0.426 70 L N 0.237 121.286 121.223 -0.289 0.000 2.017 70 L HA -0.147 4.194 4.340 0.002 0.000 0.208 70 L C 2.195 178.846 176.870 -0.365 0.000 1.073 70 L CA 1.696 56.375 54.840 -0.268 0.000 0.745 70 L CB -0.641 41.327 42.059 -0.151 0.000 0.894 70 L HN 0.244 nan 8.230 nan 0.000 0.432 71 I N -1.836 118.506 120.570 -0.380 0.000 2.439 71 I HA -0.282 3.889 4.170 0.002 0.000 0.251 71 I C 1.967 177.876 176.117 -0.346 0.000 1.139 71 I CA 0.918 61.974 61.300 -0.407 0.000 1.438 71 I CB -0.074 37.772 38.000 -0.256 0.000 1.085 71 I HN 0.288 nan 8.210 nan 0.000 0.427 72 Y N 0.571 120.748 120.300 -0.206 0.000 2.242 72 Y HA -0.153 4.397 4.550 0.001 0.000 0.291 72 Y C 2.903 178.680 175.900 -0.205 0.000 1.137 72 Y CA 0.940 58.938 58.100 -0.170 0.000 1.181 72 Y CB -1.276 37.106 38.460 -0.130 0.000 0.989 72 Y HN 0.131 nan 8.280 nan 0.000 0.527 73 S N 0.183 115.792 115.700 -0.152 0.000 2.356 73 S HA -0.155 4.316 4.470 0.002 0.000 0.223 73 S C 2.176 176.543 174.600 -0.388 0.000 1.032 73 S CA 1.239 59.291 58.200 -0.247 0.000 1.005 73 S CB -0.670 62.326 63.200 -0.342 0.000 0.867 73 S HN 0.345 nan 8.310 nan 0.000 0.449 74 L N 1.032 121.903 121.223 -0.586 0.000 2.046 74 L HA -0.129 4.212 4.340 0.002 0.000 0.208 74 L C 2.263 178.825 176.870 -0.513 0.000 1.077 74 L CA 1.102 55.427 54.840 -0.858 0.000 0.747 74 L CB -0.590 40.537 42.059 -1.554 0.000 0.896 74 L HN 0.290 nan 8.230 nan 0.000 0.432 75 L N -1.255 119.760 121.223 -0.346 0.000 2.046 75 L HA -0.253 4.088 4.340 0.002 0.000 0.208 75 L C 2.677 179.638 176.870 0.152 0.000 1.077 75 L CA 1.285 56.066 54.840 -0.099 0.000 0.747 75 L CB -0.734 41.223 42.059 -0.169 0.000 0.896 75 L HN 0.316 nan 8.230 nan 0.000 0.432 76 H N 0.475 119.544 119.070 -0.001 0.000 2.270 76 H HA -0.160 4.398 4.556 0.003 0.000 0.299 76 H C 2.184 177.563 175.328 0.085 0.000 1.077 76 H CA 1.830 57.912 56.048 0.057 0.000 1.294 76 H CB -0.198 29.573 29.762 0.015 0.000 1.371 76 H HN 0.103 nan 8.280 nan 0.000 0.491 77 L N -0.044 121.077 121.223 -0.170 0.000 2.079 77 L HA -0.158 4.183 4.340 0.002 0.000 0.210 77 L C 2.464 179.346 176.870 0.019 0.000 1.081 77 L CA 1.864 56.560 54.840 -0.241 0.000 0.752 77 L CB -0.634 40.929 42.059 -0.827 0.000 0.896 77 L HN 0.562 nan 8.230 nan 0.000 0.433 78 T N -3.928 110.715 114.554 0.149 0.000 3.113 78 T HA 0.226 4.577 4.350 0.002 0.000 0.256 78 T C 1.329 176.170 174.700 0.236 0.000 1.131 78 T CA 0.527 62.845 62.100 0.364 0.000 1.074 78 T CB 0.513 69.781 68.868 0.666 0.000 0.944 78 T HN 0.499 nan 8.240 nan 0.000 0.516 79 G N -0.216 108.674 108.800 0.150 0.000 2.175 79 G HA2 -0.154 3.807 3.960 0.002 0.000 0.182 79 G HA3 -0.154 3.807 3.960 0.002 0.000 0.182 79 G C -0.144 174.762 174.900 0.009 0.000 1.003 79 G CA -0.510 44.604 45.100 0.022 0.000 0.666 79 G HN 0.515 nan 8.290 nan 0.000 0.506 80 Y N 0.762 121.104 120.300 0.070 0.000 2.335 80 Y HA 0.399 4.953 4.550 0.006 0.000 0.348 80 Y C 1.082 177.017 175.900 0.057 0.000 1.280 80 Y CA 0.377 58.529 58.100 0.087 0.000 1.504 80 Y CB 0.431 38.971 38.460 0.135 0.000 1.366 80 Y HN 0.081 nan 8.280 nan 0.000 0.621 81 D N 1.834 122.365 120.400 0.219 0.000 2.600 81 D HA 0.178 4.819 4.640 0.002 0.000 0.226 81 D C -1.499 174.889 176.300 0.148 0.000 1.119 81 D CA 0.177 54.259 54.000 0.136 0.000 1.051 81 D CB -0.847 40.010 40.800 0.095 0.000 1.106 81 D HN 0.325 nan 8.370 nan 0.000 0.491 82 L N 4.510 125.836 121.223 0.171 0.000 2.534 82 L HA 0.429 4.770 4.340 0.002 0.000 0.259 82 L C -2.618 174.384 176.870 0.220 0.000 1.108 82 L CA -1.596 53.335 54.840 0.152 0.000 0.905 82 L CB 1.576 43.730 42.059 0.158 0.000 1.138 82 L HN 0.016 nan 8.230 nan 0.000 0.475 83 P HA 0.130 nan 4.420 nan 0.000 0.272 83 P C 0.797 178.108 177.300 0.020 0.000 1.240 83 P CA -0.484 62.704 63.100 0.147 0.000 0.791 83 P CB 0.772 32.511 31.700 0.064 0.000 0.978 84 M N 0.806 120.390 119.600 -0.028 0.000 2.149 84 M HA -0.175 4.306 4.480 0.002 0.000 0.261 84 M C 1.878 178.079 176.300 -0.165 0.000 1.064 84 M CA 1.781 56.962 55.300 -0.200 0.000 1.102 84 M CB -1.089 31.476 32.600 -0.059 0.000 1.369 84 M HN 0.433 nan 8.290 nan 0.000 0.408 85 E N -0.377 119.759 120.200 -0.106 0.000 2.160 85 E HA -0.224 4.127 4.350 0.002 0.000 0.195 85 E C 1.636 178.157 176.600 -0.132 0.000 0.991 85 E CA 1.267 57.590 56.400 -0.128 0.000 0.810 85 E CB 0.014 29.668 29.700 -0.077 0.000 0.742 85 E HN 0.564 nan 8.360 nan 0.000 0.466 86 E N 0.301 120.439 120.200 -0.104 0.000 2.152 86 E HA -0.130 4.221 4.350 0.002 0.000 0.192 86 E C 2.285 178.812 176.600 -0.122 0.000 0.983 86 E CA 0.445 56.783 56.400 -0.103 0.000 0.818 86 E CB -0.096 29.547 29.700 -0.094 0.000 0.758 86 E HN 0.398 nan 8.360 nan 0.000 0.467 87 L N 0.658 121.796 121.223 -0.141 0.000 2.141 87 L HA -0.123 4.218 4.340 0.002 0.000 0.209 87 L C 2.274 179.103 176.870 -0.069 0.000 1.094 87 L CA 1.047 55.833 54.840 -0.089 0.000 0.763 87 L CB -0.437 41.580 42.059 -0.070 0.000 0.908 87 L HN 0.038 nan 8.230 nan 0.000 0.437 88 K N 0.059 120.285 120.400 -0.290 0.000 2.365 88 K HA -0.047 4.274 4.320 0.002 0.000 0.199 88 K C 0.720 177.218 176.600 -0.170 0.000 1.045 88 K CA 0.555 56.558 56.287 -0.474 0.000 0.962 88 K CB -0.021 32.094 32.500 -0.641 0.000 0.759 88 K HN 0.282 nan 8.250 nan 0.000 0.469 89 N N 0.732 119.381 118.700 -0.086 0.000 2.321 89 N HA 0.012 4.753 4.740 0.002 0.000 0.242 89 N C -0.577 174.955 175.510 0.036 0.000 1.141 89 N CA -0.211 52.819 53.050 -0.033 0.000 0.864 89 N CB -0.027 38.427 38.487 -0.054 0.000 1.100 89 N HN 0.028 nan 8.380 nan 0.000 0.510 90 F N 2.186 122.092 119.950 -0.073 0.000 2.608 90 F HA -0.020 4.508 4.527 0.001 0.000 0.380 90 F C 1.289 177.080 175.800 -0.015 0.000 1.083 90 F CA 0.356 58.332 58.000 -0.040 0.000 1.266 90 F CB 0.247 39.264 39.000 0.027 0.000 1.076 90 F HN 0.212 nan 8.300 nan 0.000 0.574 91 R N 1.181 121.437 120.500 -0.407 0.000 3.951 91 R HA -0.193 4.148 4.340 0.002 0.000 0.352 91 R C -0.508 175.671 176.300 -0.201 0.000 1.178 91 R CA 0.799 56.638 56.100 -0.434 0.000 0.949 91 R CB -1.379 28.527 30.300 -0.657 0.000 1.452 91 R HN 0.624 nan 8.270 nan 0.000 0.540 92 Q N 0.531 120.257 119.800 -0.123 0.000 2.215 92 Q HA 0.309 4.650 4.340 0.002 0.000 0.256 92 Q C -0.061 175.880 176.000 -0.098 0.000 0.972 92 Q CA -1.135 54.611 55.803 -0.096 0.000 0.889 92 Q CB 0.990 29.688 28.738 -0.066 0.000 1.281 92 Q HN 0.106 nan 8.270 nan 0.000 0.456 93 L N 2.665 123.806 121.223 -0.135 0.000 2.584 93 L HA -0.077 4.264 4.340 0.002 0.000 0.272 93 L C 0.186 176.944 176.870 -0.186 0.000 1.195 93 L CA 1.285 55.976 54.840 -0.249 0.000 0.920 93 L CB -0.773 41.078 42.059 -0.346 0.000 1.173 93 L HN 0.737 nan 8.230 nan 0.000 0.489 94 H N 0.735 119.793 119.070 -0.020 0.000 3.080 94 H HA -0.192 4.365 4.556 0.002 0.000 0.254 94 H C 0.740 176.053 175.328 -0.024 0.000 1.179 94 H CA 0.491 56.530 56.048 -0.016 0.000 1.144 94 H CB -1.499 28.256 29.762 -0.013 0.000 1.261 94 H HN 0.806 nan 8.280 nan 0.000 0.333 95 S N 0.450 116.181 115.700 0.052 0.000 2.624 95 S HA 0.231 4.702 4.470 0.002 0.000 0.263 95 S C 1.039 175.632 174.600 -0.012 0.000 1.287 95 S CA -0.547 57.654 58.200 0.002 0.000 0.990 95 S CB 1.678 64.856 63.200 -0.036 0.000 0.950 95 S HN 0.381 nan 8.310 nan 0.000 0.561 96 K N 0.431 120.799 120.400 -0.053 0.000 2.437 96 K HA 0.117 4.438 4.320 0.002 0.000 0.198 96 K C 0.078 176.550 176.600 -0.214 0.000 1.024 96 K CA 0.280 56.523 56.287 -0.073 0.000 1.148 96 K CB -0.006 32.462 32.500 -0.053 0.000 0.860 96 K HN 0.825 nan 8.250 nan 0.000 0.515 97 T N -0.270 114.126 114.554 -0.262 0.000 3.466 97 T HA 0.252 4.603 4.350 0.002 0.000 0.297 97 T C -2.647 172.020 174.700 -0.054 0.000 1.640 97 T CA -2.165 59.607 62.100 -0.547 0.000 1.631 97 T CB 0.589 69.114 68.868 -0.571 0.000 0.928 97 T HN -0.152 nan 8.240 nan 0.000 0.688 98 P HA 0.140 nan 4.420 nan 0.000 0.270 98 P C 1.477 178.869 177.300 0.154 0.000 1.227 98 P CA 0.051 63.205 63.100 0.090 0.000 0.788 98 P CB 0.422 32.200 31.700 0.131 0.000 0.926 99 G N 0.373 109.150 108.800 -0.038 0.000 2.469 99 G HA2 -0.179 3.782 3.960 0.002 0.000 0.220 99 G HA3 -0.179 3.782 3.960 0.002 0.000 0.220 99 G C 0.079 174.874 174.900 -0.174 0.000 1.136 99 G CA 1.069 46.078 45.100 -0.152 0.000 0.759 99 G HN 0.629 nan 8.290 nan 0.000 0.562 100 H N -0.259 118.901 119.070 0.149 0.000 2.569 100 H HA 0.469 5.026 4.556 0.001 0.000 0.357 100 H C -2.439 172.978 175.328 0.150 0.000 1.153 100 H CA -1.888 54.231 56.048 0.119 0.000 1.193 100 H CB 1.948 31.758 29.762 0.079 0.000 1.602 100 H HN -0.038 nan 8.280 nan 0.000 0.523 101 P HA 0.069 nan 4.420 nan 0.000 0.271 101 P C -0.838 176.568 177.300 0.177 0.000 1.216 101 P CA -0.006 63.200 63.100 0.177 0.000 0.776 101 P CB 0.731 32.451 31.700 0.032 0.000 0.881 102 E N 0.977 121.289 120.200 0.185 0.000 2.218 102 E HA 0.317 4.668 4.350 0.002 0.000 0.263 102 E C -0.794 175.876 176.600 0.116 0.000 0.879 102 E CA -1.112 55.370 56.400 0.137 0.000 0.762 102 E CB 2.249 32.027 29.700 0.131 0.000 1.166 102 E HN 0.143 nan 8.360 nan 0.000 0.415 103 V N 2.951 122.921 119.914 0.093 0.000 2.740 103 V HA 0.327 4.448 4.120 0.002 0.000 0.303 103 V C 1.154 177.292 176.094 0.073 0.000 1.054 103 V CA 1.976 64.324 62.300 0.080 0.000 1.106 103 V CB 0.611 32.474 31.823 0.066 0.000 0.957 103 V HN 1.013 nan 8.190 nan 0.000 0.486 104 G N 4.473 113.314 108.800 0.068 0.000 2.268 104 G HA2 -0.340 3.621 3.960 0.002 0.000 0.240 104 G HA3 -0.340 3.621 3.960 0.002 0.000 0.240 104 G C 1.057 175.993 174.900 0.060 0.000 1.010 104 G CA 0.813 45.947 45.100 0.058 0.000 0.618 104 G HN 0.936 nan 8.290 nan 0.000 0.516 105 K N 0.024 120.467 120.400 0.072 0.000 2.287 105 K HA 0.257 4.578 4.320 0.002 0.000 0.199 105 K C 0.214 176.857 176.600 0.070 0.000 1.061 105 K CA 1.328 57.655 56.287 0.068 0.000 0.976 105 K CB 0.473 33.019 32.500 0.076 0.000 0.898 105 K HN 0.314 nan 8.250 nan 0.000 0.492 106 T N 1.260 115.869 114.554 0.093 0.000 2.812 106 T HA 0.499 4.850 4.350 0.002 0.000 0.282 106 T C -0.934 173.832 174.700 0.110 0.000 0.990 106 T CA -0.717 61.442 62.100 0.099 0.000 0.960 106 T CB 1.603 70.559 68.868 0.147 0.000 0.948 106 T HN 0.274 nan 8.240 nan 0.000 0.438 107 A N 1.796 124.688 122.820 0.121 0.000 2.511 107 A HA 0.543 4.864 4.320 0.002 0.000 0.242 107 A C 1.574 179.243 177.584 0.141 0.000 1.069 107 A CA 0.572 52.707 52.037 0.163 0.000 0.763 107 A CB -0.761 18.375 19.000 0.226 0.000 1.001 107 A HN 1.696 nan 8.150 nan 0.000 0.498 108 G N 0.768 109.656 108.800 0.146 0.000 2.217 108 G HA2 -0.181 3.780 3.960 0.002 0.000 0.246 108 G HA3 -0.181 3.780 3.960 0.002 0.000 0.246 108 G C 0.248 175.166 174.900 0.029 0.000 0.990 108 G CA 0.109 45.216 45.100 0.011 0.000 0.627 108 G HN 1.426 nan 8.290 nan 0.000 0.522 109 V N 1.882 121.839 119.914 0.071 0.000 2.461 109 V HA 0.368 4.489 4.120 0.002 0.000 0.275 109 V C 1.234 177.379 176.094 0.086 0.000 1.047 109 V CA 0.019 62.375 62.300 0.093 0.000 0.955 109 V CB 1.607 33.499 31.823 0.115 0.000 0.988 109 V HN 0.321 nan 8.190 nan 0.000 0.471 110 E N 1.974 122.225 120.200 0.085 0.000 2.340 110 E HA 0.105 4.456 4.350 0.002 0.000 0.194 110 E C 0.758 177.390 176.600 0.052 0.000 0.996 110 E CA 0.435 56.871 56.400 0.061 0.000 0.869 110 E CB 0.908 30.642 29.700 0.057 0.000 0.835 110 E HN 0.707 nan 8.360 nan 0.000 0.493 111 T N -0.631 113.955 114.554 0.053 0.000 2.769 111 T HA 0.244 4.595 4.350 0.002 0.000 0.306 111 T C -1.323 173.412 174.700 0.058 0.000 1.400 111 T CA -0.527 61.604 62.100 0.050 0.000 1.007 111 T CB 1.792 70.682 68.868 0.036 0.000 1.392 111 T HN -0.244 nan 8.240 nan 0.000 0.500 112 T N 3.092 117.683 114.554 0.062 0.000 2.733 112 T HA 0.602 4.953 4.350 0.002 0.000 0.294 112 T C 0.279 175.016 174.700 0.063 0.000 0.956 112 T CA -0.430 61.714 62.100 0.074 0.000 0.987 112 T CB 0.592 69.505 68.868 0.075 0.000 0.920 112 T HN 0.837 nan 8.240 nan 0.000 0.470 113 T N 0.022 114.618 114.554 0.071 0.000 2.841 113 T HA 0.888 5.239 4.350 0.002 0.000 0.276 113 T C 0.943 175.683 174.700 0.066 0.000 1.003 113 T CA -0.028 62.106 62.100 0.058 0.000 0.995 113 T CB 1.972 70.866 68.868 0.044 0.000 1.260 113 T HN 0.686 nan 8.240 nan 0.000 0.581 114 G N 0.223 109.044 108.800 0.035 0.000 4.025 114 G HA2 0.037 3.998 3.960 0.002 0.000 0.195 114 G HA3 0.037 3.998 3.960 0.002 0.000 0.195 114 G C -2.616 172.229 174.900 -0.093 0.000 1.546 114 G CA -0.524 44.489 45.100 -0.145 0.000 1.007 114 G HN 0.844 nan 8.290 nan 0.000 0.388 115 P HA 0.547 nan 4.420 nan 0.000 0.276 115 P C 0.287 177.612 177.300 0.042 0.000 1.264 115 P CA -0.241 62.867 63.100 0.013 0.000 0.769 115 P CB 0.739 32.469 31.700 0.049 0.000 0.840 116 L N 2.348 123.602 121.223 0.051 0.000 2.485 116 L HA 0.213 4.554 4.340 0.002 0.000 0.275 116 L C 1.797 178.682 176.870 0.024 0.000 1.207 116 L CA 0.967 55.841 54.840 0.057 0.000 0.855 116 L CB -0.372 41.725 42.059 0.063 0.000 1.114 116 L HN 0.783 nan 8.230 nan 0.000 0.485 117 G N 1.055 109.857 108.800 0.002 0.000 2.299 117 G HA2 -0.298 3.663 3.960 0.002 0.000 0.237 117 G HA3 -0.298 3.663 3.960 0.002 0.000 0.237 117 G C 0.903 175.739 174.900 -0.107 0.000 1.027 117 G CA 0.413 45.479 45.100 -0.056 0.000 0.619 117 G HN 0.652 nan 8.290 nan 0.000 0.513 118 Q N 0.367 120.117 119.800 -0.085 0.000 2.245 118 Q HA 0.149 4.490 4.340 0.002 0.000 0.201 118 Q C 2.792 178.767 176.000 -0.042 0.000 0.955 118 Q CA 1.107 56.852 55.803 -0.096 0.000 0.870 118 Q CB -0.225 28.499 28.738 -0.025 0.000 0.945 118 Q HN 0.596 nan 8.270 nan 0.000 0.461 119 G N 1.604 110.396 108.800 -0.013 0.000 2.459 119 G HA2 -0.290 3.671 3.960 0.002 0.000 0.217 119 G HA3 -0.290 3.671 3.960 0.002 0.000 0.217 119 G C 1.381 176.281 174.900 -0.000 0.000 1.183 119 G CA 0.794 45.891 45.100 -0.005 0.000 0.776 119 G HN 0.322 nan 8.290 nan 0.000 0.552 120 I N 1.751 122.330 120.570 0.014 0.000 2.361 120 I HA -0.020 4.151 4.170 0.002 0.000 0.251 120 I C 2.920 179.052 176.117 0.026 0.000 1.133 120 I CA 1.276 62.605 61.300 0.048 0.000 1.413 120 I CB -0.384 37.663 38.000 0.079 0.000 1.073 120 I HN 0.195 nan 8.210 nan 0.000 0.424 121 A N 0.287 123.088 122.820 -0.030 0.000 1.877 121 A HA -0.263 4.058 4.320 0.002 0.000 0.216 121 A C 2.153 179.725 177.584 -0.019 0.000 1.186 121 A CA 2.290 54.295 52.037 -0.052 0.000 0.620 121 A CB -1.240 17.679 19.000 -0.135 0.000 0.822 121 A HN 0.648 nan 8.150 nan 0.000 0.443 122 N N 0.078 118.771 118.700 -0.011 0.000 2.166 122 N HA -0.063 4.678 4.740 0.002 0.000 0.186 122 N C 1.934 177.456 175.510 0.021 0.000 1.019 122 N CA 0.936 53.992 53.050 0.010 0.000 0.856 122 N CB -0.248 38.249 38.487 0.016 0.000 0.993 122 N HN 0.510 nan 8.380 nan 0.000 0.426 123 A N 0.888 123.721 122.820 0.022 0.000 1.902 123 A HA -0.085 4.236 4.320 0.002 0.000 0.217 123 A C 2.400 179.998 177.584 0.024 0.000 1.181 123 A CA 1.063 53.119 52.037 0.031 0.000 0.623 123 A CB -0.727 18.300 19.000 0.044 0.000 0.818 123 A HN 0.095 nan 8.150 nan 0.000 0.443 124 V N -0.092 119.838 119.914 0.027 0.000 2.343 124 V HA -0.199 3.922 4.120 0.002 0.000 0.247 124 V C 2.782 178.858 176.094 -0.029 0.000 1.051 124 V CA 2.011 64.313 62.300 0.004 0.000 1.036 124 V CB -1.336 30.501 31.823 0.023 0.000 0.654 124 V HN 0.622 nan 8.190 nan 0.000 0.451 125 G N -0.997 107.795 108.800 -0.015 0.000 2.408 125 G HA2 -0.243 3.718 3.960 0.002 0.000 0.217 125 G HA3 -0.243 3.718 3.960 0.002 0.000 0.217 125 G C 1.618 176.489 174.900 -0.048 0.000 1.150 125 G CA 0.921 46.002 45.100 -0.031 0.000 0.776 125 G HN 0.430 nan 8.290 nan 0.000 0.542 126 M N 0.793 120.395 119.600 0.004 0.000 2.117 126 M HA 0.028 4.509 4.480 0.002 0.000 0.262 126 M C 3.015 179.276 176.300 -0.065 0.000 1.065 126 M CA 1.388 56.716 55.300 0.046 0.000 1.114 126 M CB -0.154 32.533 32.600 0.145 0.000 1.361 126 M HN 0.301 nan 8.290 nan 0.000 0.408 127 A N 0.420 123.196 122.820 -0.074 0.000 1.930 127 A HA -0.109 4.212 4.320 0.002 0.000 0.217 127 A C 2.066 179.536 177.584 -0.190 0.000 1.175 127 A CA 1.313 53.268 52.037 -0.136 0.000 0.627 127 A CB -0.841 18.081 19.000 -0.130 0.000 0.815 127 A HN 0.445 nan 8.150 nan 0.000 0.443 128 I N -0.260 120.199 120.570 -0.185 0.000 2.179 128 I HA -0.297 3.874 4.170 0.002 0.000 0.242 128 I C 2.995 178.942 176.117 -0.284 0.000 1.088 128 I CA 1.110 62.275 61.300 -0.225 0.000 1.357 128 I CB -0.328 37.537 38.000 -0.226 0.000 1.051 128 I HN 0.363 nan 8.210 nan 0.000 0.409 129 A N 0.106 122.729 122.820 -0.328 0.000 1.877 129 A HA -0.259 4.062 4.320 0.002 0.000 0.216 129 A C 2.360 179.781 177.584 -0.272 0.000 1.186 129 A CA 1.824 53.655 52.037 -0.344 0.000 0.620 129 A CB -0.605 18.149 19.000 -0.410 0.000 0.822 129 A HN 0.443 nan 8.150 nan 0.000 0.443 130 E N 0.290 120.228 120.200 -0.438 0.000 2.077 130 E HA -0.238 4.113 4.350 0.002 0.000 0.193 130 E C 2.061 178.558 176.600 -0.173 0.000 0.989 130 E CA 1.686 57.907 56.400 -0.297 0.000 0.800 130 E CB -0.253 29.197 29.700 -0.417 0.000 0.746 130 E HN 0.659 nan 8.360 nan 0.000 0.452 131 K N -0.337 119.952 120.400 -0.185 0.000 2.057 131 K HA -0.105 4.216 4.320 0.002 0.000 0.207 131 K C 2.083 178.653 176.600 -0.051 0.000 1.049 131 K CA 1.840 58.046 56.287 -0.135 0.000 0.931 131 K CB -0.068 32.337 32.500 -0.158 0.000 0.714 131 K HN 0.055 nan 8.250 nan 0.000 0.440 132 T N 1.604 116.142 114.554 -0.028 0.000 2.777 132 T HA -0.116 4.235 4.350 0.002 0.000 0.266 132 T C 1.693 176.556 174.700 0.271 0.000 1.040 132 T CA 0.977 63.118 62.100 0.067 0.000 1.141 132 T CB -0.135 68.698 68.868 -0.059 0.000 0.868 132 T HN 0.109 nan 8.240 nan 0.000 0.444 133 L N 1.258 122.720 121.223 0.397 0.000 2.056 133 L HA 0.106 4.447 4.340 0.002 0.000 0.207 133 L C 2.644 179.736 176.870 0.371 0.000 1.078 133 L CA 1.568 56.683 54.840 0.458 0.000 0.749 133 L CB -0.889 41.401 42.059 0.384 0.000 0.901 133 L HN 0.232 nan 8.230 nan 0.000 0.433 134 A N -0.708 122.227 122.820 0.190 0.000 1.902 134 A HA -0.157 4.164 4.320 0.002 0.000 0.217 134 A C 2.437 180.080 177.584 0.099 0.000 1.181 134 A CA 1.812 53.921 52.037 0.119 0.000 0.623 134 A CB -1.109 17.894 19.000 0.005 0.000 0.818 134 A HN 0.509 nan 8.150 nan 0.000 0.443 135 A N -0.869 121.990 122.820 0.066 0.000 1.933 135 A HA -0.196 4.125 4.320 0.002 0.000 0.218 135 A C 2.114 179.706 177.584 0.012 0.000 1.175 135 A CA 1.647 53.700 52.037 0.027 0.000 0.628 135 A CB -0.499 18.504 19.000 0.005 0.000 0.814 135 A HN 0.665 nan 8.150 nan 0.000 0.444 136 Q N -2.347 117.470 119.800 0.029 0.000 2.172 136 Q HA -0.007 4.334 4.340 0.002 0.000 0.200 136 Q C 1.160 176.951 176.000 -0.348 0.000 0.964 136 Q CA 1.302 57.007 55.803 -0.164 0.000 0.855 136 Q CB -0.043 28.565 28.738 -0.217 0.000 0.918 136 Q HN 0.750 nan 8.270 nan 0.000 0.444 137 F N -0.489 119.509 119.950 0.081 0.000 2.740 137 F HA 0.172 4.702 4.527 0.005 0.000 0.304 137 F C 0.438 176.234 175.800 -0.006 0.000 1.098 137 F CA -0.539 57.506 58.000 0.076 0.000 1.258 137 F CB 0.426 39.491 39.000 0.109 0.000 1.061 137 F HN -0.134 nan 8.300 nan 0.000 0.598 138 N N 1.742 120.518 118.700 0.126 0.000 2.479 138 N HA 0.214 4.955 4.740 0.002 0.000 0.257 138 N C -0.108 175.415 175.510 0.021 0.000 1.232 138 N CA 0.275 53.357 53.050 0.052 0.000 0.920 138 N CB 0.497 39.008 38.487 0.039 0.000 1.105 138 N HN -0.088 nan 8.380 nan 0.000 0.444 139 R N 0.866 121.390 120.500 0.041 0.000 2.808 139 R HA 0.491 4.832 4.340 0.002 0.000 0.272 139 R C -2.622 173.758 176.300 0.133 0.000 0.995 139 R CA -2.021 54.075 56.100 -0.006 0.000 0.917 139 R CB 0.569 30.676 30.300 -0.322 0.000 1.217 139 R HN 0.335 nan 8.270 nan 0.000 0.471 140 P HA 0.054 nan 4.420 nan 0.000 0.260 140 P C 0.647 178.020 177.300 0.122 0.000 1.185 140 P CA 1.032 64.198 63.100 0.110 0.000 0.763 140 P CB 0.263 32.021 31.700 0.097 0.000 0.776 141 G N 2.420 111.221 108.800 0.002 0.000 2.179 141 G HA2 -0.221 3.740 3.960 0.002 0.000 0.260 141 G HA3 -0.221 3.740 3.960 0.002 0.000 0.260 141 G C 0.148 174.804 174.900 -0.408 0.000 0.977 141 G CA -0.252 44.741 45.100 -0.177 0.000 0.641 141 G HN 0.722 nan 8.290 nan 0.000 0.533 142 H N 0.595 119.718 119.070 0.088 0.000 2.488 142 H HA 0.284 4.839 4.556 -0.003 0.000 0.237 142 H C -1.188 174.148 175.328 0.014 0.000 1.395 142 H CA -0.670 55.435 56.048 0.095 0.000 1.491 142 H CB 0.720 30.649 29.762 0.278 0.000 1.567 142 H HN 0.143 nan 8.280 nan 0.000 0.508 143 D N 2.831 123.268 120.400 0.062 0.000 2.522 143 D HA 0.085 4.726 4.640 0.002 0.000 0.218 143 D C 1.826 178.153 176.300 0.044 0.000 1.149 143 D CA -0.243 53.782 54.000 0.042 0.000 0.981 143 D CB 0.246 41.075 40.800 0.049 0.000 1.041 143 D HN 0.602 nan 8.370 nan 0.000 0.518 144 I N -1.806 118.722 120.570 -0.069 0.000 3.111 144 I HA 0.015 4.186 4.170 0.002 0.000 0.272 144 I C 0.189 176.462 176.117 0.260 0.000 1.268 144 I CA 0.333 61.624 61.300 -0.014 0.000 1.467 144 I CB 0.166 37.890 38.000 -0.460 0.000 1.087 144 I HN -0.168 nan 8.210 nan 0.000 0.467 145 V N 2.509 122.505 119.914 0.135 0.000 2.378 145 V HA 0.484 4.605 4.120 0.002 0.000 0.288 145 V C -1.232 174.893 176.094 0.052 0.000 1.016 145 V CA -0.290 62.111 62.300 0.168 0.000 0.840 145 V CB 1.169 33.091 31.823 0.164 0.000 0.994 145 V HN 0.291 nan 8.190 nan 0.000 0.431 146 D N 4.083 124.510 120.400 0.045 0.000 2.312 146 D HA 0.305 4.946 4.640 0.002 0.000 0.229 146 D C -0.904 175.391 176.300 -0.010 0.000 1.337 146 D CA -0.238 53.733 54.000 -0.047 0.000 0.964 146 D CB 0.641 41.476 40.800 0.060 0.000 1.456 146 D HN 0.804 nan 8.370 nan 0.000 0.547 147 H N 0.637 119.637 119.070 -0.116 0.000 3.037 147 H HA 0.389 4.946 4.556 0.001 0.000 0.355 147 H C -1.221 173.968 175.328 -0.231 0.000 1.263 147 H CA -0.720 55.268 56.048 -0.100 0.000 1.129 147 H CB 0.482 30.163 29.762 -0.134 0.000 1.861 147 H HN 0.103 nan 8.280 nan 0.000 0.546 148 Y N 0.332 120.635 120.300 0.005 0.000 2.392 148 Y HA 0.380 4.930 4.550 -0.000 0.000 0.323 148 Y C 0.611 176.379 175.900 -0.220 0.000 1.291 148 Y CA -0.044 57.920 58.100 -0.227 0.000 1.345 148 Y CB 1.858 39.991 38.460 -0.545 0.000 1.320 148 Y HN 0.583 nan 8.280 nan 0.000 0.518 149 T N 1.812 116.257 114.554 -0.183 0.000 2.847 149 T HA 0.403 4.754 4.350 0.002 0.000 0.291 149 T C -1.592 173.026 174.700 -0.137 0.000 0.998 149 T CA -0.636 61.414 62.100 -0.084 0.000 0.967 149 T CB -0.101 68.754 68.868 -0.022 0.000 0.954 149 T HN 0.230 nan 8.240 nan 0.000 0.441 150 Y N 1.428 121.842 120.300 0.189 0.000 2.409 150 Y HA 0.710 5.260 4.550 0.000 0.000 0.339 150 Y C 0.276 176.229 175.900 0.089 0.000 1.033 150 Y CA -1.050 57.205 58.100 0.258 0.000 1.094 150 Y CB 1.675 40.367 38.460 0.387 0.000 1.210 150 Y HN 0.772 nan 8.280 nan 0.000 0.456 151 A N 3.087 126.123 122.820 0.360 0.000 2.414 151 A HA 0.811 5.132 4.320 0.002 0.000 0.306 151 A C -1.887 175.977 177.584 0.467 0.000 1.054 151 A CA -0.562 51.567 52.037 0.153 0.000 0.724 151 A CB 0.888 19.993 19.000 0.176 0.000 1.267 151 A HN 0.471 nan 8.150 nan 0.000 0.418 152 F N 1.103 121.055 119.950 0.003 0.000 2.443 152 F HA 0.789 5.318 4.527 0.003 0.000 0.335 152 F C 0.293 176.147 175.800 0.091 0.000 1.104 152 F CA -1.113 56.960 58.000 0.122 0.000 1.013 152 F CB 1.783 40.821 39.000 0.063 0.000 1.136 152 F HN 0.524 nan 8.300 nan 0.000 0.470 153 M N 1.318 121.092 119.600 0.291 0.000 2.618 153 M HA 0.731 5.212 4.480 0.002 0.000 0.281 153 M C -0.036 176.422 176.300 0.263 0.000 1.267 153 M CA -0.648 54.782 55.300 0.216 0.000 0.845 153 M CB 2.678 35.377 32.600 0.166 0.000 1.732 153 M HN 0.603 nan 8.290 nan 0.000 0.461 154 G N -0.911 108.039 108.800 0.251 0.000 3.140 154 G HA2 0.412 4.373 3.960 0.002 0.000 0.271 154 G HA3 0.412 4.373 3.960 0.002 0.000 0.271 154 G C -0.402 174.707 174.900 0.348 0.000 1.370 154 G CA -0.469 44.824 45.100 0.321 0.000 1.014 154 G HN 0.732 nan 8.290 nan 0.000 0.541 155 D N -0.114 120.502 120.400 0.360 0.000 2.144 155 D HA -0.102 4.539 4.640 0.002 0.000 0.199 155 D C 2.457 178.741 176.300 -0.028 0.000 0.984 155 D CA 1.548 55.698 54.000 0.250 0.000 0.834 155 D CB -0.302 40.650 40.800 0.254 0.000 0.955 155 D HN 0.427 nan 8.370 nan 0.000 0.465 156 G N 0.815 109.646 108.800 0.051 0.000 2.446 156 G HA2 -0.293 3.668 3.960 0.002 0.000 0.217 156 G HA3 -0.293 3.668 3.960 0.002 0.000 0.217 156 G C 1.957 176.844 174.900 -0.021 0.000 1.168 156 G CA 0.979 46.078 45.100 -0.002 0.000 0.771 156 G HN 0.311 nan 8.290 nan 0.000 0.551 157 C N 0.580 119.898 119.300 0.031 0.000 2.413 157 C HA 0.003 4.464 4.460 0.002 0.000 0.277 157 C C 2.993 177.965 174.990 -0.030 0.000 1.265 157 C CA 0.917 59.944 59.018 0.015 0.000 1.752 157 C CB -0.636 27.136 27.740 0.053 0.000 1.998 157 C HN 0.386 nan 8.230 nan 0.000 0.489 158 M N -0.352 119.201 119.600 -0.078 0.000 2.200 158 M HA -0.059 4.422 4.480 0.002 0.000 0.265 158 M C 2.109 178.326 176.300 -0.139 0.000 1.066 158 M CA 1.577 56.823 55.300 -0.091 0.000 1.127 158 M CB -0.967 31.558 32.600 -0.126 0.000 1.379 158 M HN 0.426 nan 8.290 nan 0.000 0.420 159 M N -0.351 119.057 119.600 -0.319 0.000 2.254 159 M HA -0.078 4.403 4.480 0.002 0.000 0.265 159 M C 0.439 176.685 176.300 -0.090 0.000 1.066 159 M CA 0.718 55.851 55.300 -0.278 0.000 1.123 159 M CB -0.111 32.276 32.600 -0.355 0.000 1.388 159 M HN 0.052 nan 8.290 nan 0.000 0.425 160 E N 0.430 120.595 120.200 -0.058 0.000 2.414 160 E HA -0.007 4.344 4.350 0.002 0.000 0.263 160 E C 1.090 177.701 176.600 0.018 0.000 1.000 160 E CA 0.232 56.627 56.400 -0.008 0.000 0.914 160 E CB 0.796 30.495 29.700 -0.002 0.000 0.948 160 E HN 0.324 nan 8.360 nan 0.000 0.444 161 G N 3.542 112.370 108.800 0.047 0.000 2.450 161 G HA2 -0.265 3.696 3.960 0.002 0.000 0.220 161 G HA3 -0.265 3.696 3.960 0.002 0.000 0.220 161 G C 1.420 176.358 174.900 0.063 0.000 1.130 161 G CA 0.294 45.442 45.100 0.080 0.000 0.760 161 G HN 0.621 nan 8.290 nan 0.000 0.557 162 I N 1.585 122.142 120.570 -0.022 0.000 2.454 162 I HA -0.200 3.971 4.170 0.002 0.000 0.254 162 I C 3.002 179.043 176.117 -0.127 0.000 1.156 162 I CA 1.617 62.811 61.300 -0.177 0.000 1.433 162 I CB -0.040 37.606 38.000 -0.590 0.000 1.082 162 I HN 0.343 nan 8.210 nan 0.000 0.432 163 S N -0.480 115.185 115.700 -0.059 0.000 2.383 163 S HA -0.324 4.147 4.470 0.002 0.000 0.227 163 S C 2.048 176.607 174.600 -0.069 0.000 1.026 163 S CA 1.500 59.681 58.200 -0.033 0.000 0.981 163 S CB -0.733 62.487 63.200 0.033 0.000 0.818 163 S HN 0.708 nan 8.310 nan 0.000 0.472 164 H N 1.787 120.794 119.070 -0.104 0.000 2.321 164 H HA 0.034 4.591 4.556 0.002 0.000 0.300 164 H C 1.991 177.158 175.328 -0.268 0.000 1.087 164 H CA 2.166 58.117 56.048 -0.162 0.000 1.319 164 H CB -0.505 29.248 29.762 -0.015 0.000 1.379 164 H HN 0.586 nan 8.280 nan 0.000 0.501 165 E N -0.297 119.731 120.200 -0.287 0.000 2.038 165 E HA -0.178 4.173 4.350 0.002 0.000 0.195 165 E C 2.394 178.807 176.600 -0.312 0.000 1.000 165 E CA 2.090 58.298 56.400 -0.321 0.000 0.803 165 E CB -0.113 29.513 29.700 -0.124 0.000 0.750 165 E HN 0.547 nan 8.360 nan 0.000 0.448 166 V N -1.454 118.326 119.914 -0.224 0.000 2.788 166 V HA -0.078 4.043 4.120 0.002 0.000 0.251 166 V C 2.155 178.171 176.094 -0.129 0.000 1.068 166 V CA 0.943 63.160 62.300 -0.137 0.000 1.090 166 V CB -0.469 31.308 31.823 -0.077 0.000 0.710 166 V HN 0.286 nan 8.190 nan 0.000 0.467 167 C N 0.576 119.725 119.300 -0.252 0.000 2.464 167 C HA -0.008 4.453 4.460 0.002 0.000 0.278 167 C C 3.246 177.955 174.990 -0.468 0.000 1.375 167 C CA 1.373 60.269 59.018 -0.203 0.000 1.761 167 C CB -0.749 26.676 27.740 -0.524 0.000 1.944 167 C HN 0.741 nan 8.230 nan 0.000 0.509 168 S N 0.845 115.952 115.700 -0.989 0.000 2.356 168 S HA -0.154 4.317 4.470 0.002 0.000 0.223 168 S C 1.794 176.228 174.600 -0.278 0.000 1.032 168 S CA 1.478 59.188 58.200 -0.816 0.000 1.005 168 S CB -0.342 62.371 63.200 -0.812 0.000 0.867 168 S HN 0.487 nan 8.310 nan 0.000 0.449 169 L N 1.731 122.821 121.223 -0.221 0.000 2.141 169 L HA 0.234 4.575 4.340 0.002 0.000 0.209 169 L C 2.453 179.280 176.870 -0.072 0.000 1.094 169 L CA 1.793 56.564 54.840 -0.115 0.000 0.763 169 L CB -1.120 40.884 42.059 -0.090 0.000 0.908 169 L HN 0.350 nan 8.230 nan 0.000 0.437 170 A N -0.525 122.282 122.820 -0.022 0.000 1.933 170 A HA -0.067 4.254 4.320 0.002 0.000 0.218 170 A C 2.337 179.869 177.584 -0.086 0.000 1.175 170 A CA 1.474 53.492 52.037 -0.032 0.000 0.628 170 A CB -1.496 17.544 19.000 0.066 0.000 0.814 170 A HN 0.505 nan 8.150 nan 0.000 0.444 171 G N -1.035 107.801 108.800 0.060 0.000 2.418 171 G HA2 -0.160 3.801 3.960 0.002 0.000 0.217 171 G HA3 -0.160 3.801 3.960 0.002 0.000 0.217 171 G C 1.566 176.461 174.900 -0.008 0.000 1.158 171 G CA 1.625 46.757 45.100 0.053 0.000 0.771 171 G HN 0.427 nan 8.290 nan 0.000 0.545 172 T N 1.322 115.867 114.554 -0.015 0.000 2.788 172 T HA -0.020 4.331 4.350 0.002 0.000 0.268 172 T C 2.182 176.845 174.700 -0.062 0.000 1.044 172 T CA 0.749 62.828 62.100 -0.034 0.000 1.139 172 T CB -0.147 68.694 68.868 -0.045 0.000 0.867 172 T HN 0.150 nan 8.240 nan 0.000 0.454 173 L N 0.169 121.339 121.223 -0.088 0.000 2.591 173 L HA 0.211 4.552 4.340 0.002 0.000 0.228 173 L C 0.441 177.237 176.870 -0.123 0.000 1.133 173 L CA 0.105 54.879 54.840 -0.109 0.000 0.880 173 L CB -0.370 41.610 42.059 -0.131 0.000 1.033 173 L HN 0.207 nan 8.230 nan 0.000 0.450 174 K N 1.132 121.455 120.400 -0.128 0.000 3.257 174 K HA -0.173 4.148 4.320 0.002 0.000 0.270 174 K C -0.355 176.137 176.600 -0.179 0.000 0.984 174 K CA 0.297 56.498 56.287 -0.143 0.000 0.739 174 K CB -1.646 30.793 32.500 -0.103 0.000 1.351 174 K HN 0.312 nan 8.250 nan 0.000 0.463 175 L N 0.792 121.874 121.223 -0.235 0.000 2.395 175 L HA 0.074 4.415 4.340 0.002 0.000 0.268 175 L C 1.883 178.593 176.870 -0.266 0.000 1.223 175 L CA 0.088 54.782 54.840 -0.244 0.000 1.093 175 L CB 0.327 42.233 42.059 -0.255 0.000 1.349 175 L HN 0.522 nan 8.230 nan 0.000 0.427 176 G N 1.738 110.411 108.800 -0.212 0.000 2.470 176 G HA2 -0.175 3.786 3.960 0.002 0.000 0.220 176 G HA3 -0.175 3.786 3.960 0.002 0.000 0.220 176 G C 1.387 176.191 174.900 -0.160 0.000 1.121 176 G CA 0.222 45.217 45.100 -0.175 0.000 0.766 176 G HN 0.506 nan 8.290 nan 0.000 0.553 177 K N -0.649 119.602 120.400 -0.248 0.000 2.417 177 K HA 0.220 4.541 4.320 0.002 0.000 0.196 177 K C -0.210 176.273 176.600 -0.195 0.000 1.023 177 K CA -0.471 55.607 56.287 -0.347 0.000 1.122 177 K CB 0.338 32.432 32.500 -0.678 0.000 0.850 177 K HN 0.218 nan 8.250 nan 0.000 0.521 178 L N 1.695 122.812 121.223 -0.177 0.000 2.264 178 L HA 0.369 4.710 4.340 0.002 0.000 0.289 178 L C -0.872 175.948 176.870 -0.084 0.000 1.044 178 L CA -0.217 54.542 54.840 -0.135 0.000 0.807 178 L CB 0.538 42.478 42.059 -0.198 0.000 1.192 178 L HN -0.014 nan 8.230 nan 0.000 0.425 179 I N 5.635 126.216 120.570 0.019 0.000 2.439 179 I HA 0.598 4.769 4.170 0.002 0.000 0.285 179 I C -0.287 175.939 176.117 0.182 0.000 1.021 179 I CA -0.485 60.860 61.300 0.075 0.000 1.091 179 I CB 1.708 39.775 38.000 0.110 0.000 1.242 179 I HN 0.771 nan 8.210 nan 0.000 0.439 180 A N 6.379 129.303 122.820 0.173 0.000 2.340 180 A HA 0.872 5.193 4.320 0.002 0.000 0.331 180 A C -1.232 176.386 177.584 0.057 0.000 1.140 180 A CA -0.296 51.902 52.037 0.268 0.000 0.801 180 A CB 0.721 19.924 19.000 0.338 0.000 1.234 180 A HN 0.503 nan 8.150 nan 0.000 0.469 181 F N 1.176 121.268 119.950 0.236 0.000 2.467 181 F HA 0.427 4.955 4.527 0.001 0.000 0.336 181 F C -0.474 175.372 175.800 0.077 0.000 1.123 181 F CA -0.438 57.621 58.000 0.099 0.000 0.964 181 F CB 1.603 40.576 39.000 -0.045 0.000 1.136 181 F HN 0.576 nan 8.300 nan 0.000 0.447 182 Y N 3.057 123.373 120.300 0.027 0.000 2.335 182 Y HA 0.343 4.894 4.550 0.001 0.000 0.339 182 Y C -0.316 175.560 175.900 -0.041 0.000 0.987 182 Y CA -1.982 56.102 58.100 -0.027 0.000 1.140 182 Y CB 0.926 39.322 38.460 -0.107 0.000 1.173 182 Y HN 0.564 nan 8.280 nan 0.000 0.486 183 D N 4.703 125.023 120.400 -0.134 0.000 2.508 183 D HA 0.030 4.671 4.640 0.002 0.000 0.224 183 D C -0.893 175.088 176.300 -0.531 0.000 1.171 183 D CA 0.086 53.919 54.000 -0.278 0.000 1.006 183 D CB -0.280 40.459 40.800 -0.102 0.000 1.073 183 D HN 0.506 nan 8.370 nan 0.000 0.513 184 D N 2.486 122.427 120.400 -0.765 0.000 2.508 184 D HA 0.003 4.644 4.640 0.002 0.000 0.224 184 D C 0.420 176.557 176.300 -0.272 0.000 1.171 184 D CA -0.290 53.278 54.000 -0.721 0.000 1.006 184 D CB -0.240 40.141 40.800 -0.699 0.000 1.073 184 D HN 0.351 nan 8.370 nan 0.000 0.513 185 N N 1.774 120.393 118.700 -0.134 0.000 2.187 185 N HA 0.128 4.869 4.740 0.002 0.000 0.212 185 N C 1.399 176.918 175.510 0.015 0.000 1.152 185 N CA 0.178 53.212 53.050 -0.027 0.000 0.872 185 N CB 0.333 38.833 38.487 0.020 0.000 1.025 185 N HN 0.281 nan 8.380 nan 0.000 0.514 186 G N 0.025 108.839 108.800 0.024 0.000 2.175 186 G HA2 -0.229 3.732 3.960 0.002 0.000 0.265 186 G HA3 -0.229 3.732 3.960 0.002 0.000 0.265 186 G C -0.396 174.513 174.900 0.013 0.000 0.979 186 G CA 0.636 45.760 45.100 0.039 0.000 0.663 186 G HN 0.348 nan 8.290 nan 0.000 0.533 187 I N 0.860 121.449 120.570 0.032 0.000 2.545 187 I HA 0.655 4.826 4.170 0.002 0.000 0.292 187 I C 0.538 176.726 176.117 0.118 0.000 1.040 187 I CA -0.219 61.088 61.300 0.013 0.000 1.068 187 I CB 1.855 39.855 38.000 0.000 0.000 1.251 187 I HN 0.393 nan 8.210 nan 0.000 0.424 188 S N 5.162 120.965 115.700 0.172 0.000 2.911 188 S HA 0.613 5.084 4.470 0.002 0.000 0.319 188 S C 0.989 175.610 174.600 0.035 0.000 1.154 188 S CA -0.724 57.554 58.200 0.130 0.000 0.857 188 S CB 1.444 64.796 63.200 0.253 0.000 1.279 188 S HN 0.440 nan 8.310 nan 0.000 0.593 189 I N 1.112 121.601 120.570 -0.135 0.000 2.315 189 I HA -0.120 4.051 4.170 0.002 0.000 0.248 189 I C 1.368 177.475 176.117 -0.016 0.000 1.117 189 I CA 1.368 62.576 61.300 -0.152 0.000 1.404 189 I CB -0.413 37.446 38.000 -0.236 0.000 1.071 189 I HN 0.592 nan 8.210 nan 0.000 0.419 190 D N 0.601 120.942 120.400 -0.098 0.000 2.312 190 D HA 0.083 4.724 4.640 0.002 0.000 0.211 190 D C 1.003 177.308 176.300 0.008 0.000 0.964 190 D CA 1.124 55.016 54.000 -0.181 0.000 0.877 190 D CB 0.228 40.605 40.800 -0.706 0.000 0.924 190 D HN 0.511 nan 8.370 nan 0.000 0.515 191 G N -1.269 107.640 108.800 0.182 0.000 2.288 191 G HA2 -0.106 3.855 3.960 0.002 0.000 0.227 191 G HA3 -0.106 3.855 3.960 0.002 0.000 0.227 191 G C -1.110 173.865 174.900 0.125 0.000 1.339 191 G CA -0.935 44.184 45.100 0.032 0.000 1.057 191 G HN 0.101 nan 8.290 nan 0.000 0.470 192 H N 1.420 120.499 119.070 0.014 0.000 2.929 192 H HA 0.207 4.764 4.556 0.002 0.000 0.317 192 H C 2.015 177.028 175.328 -0.525 0.000 1.031 192 H CA 0.834 56.800 56.048 -0.137 0.000 1.466 192 H CB 1.693 31.378 29.762 -0.129 0.000 1.482 192 H HN 0.735 nan 8.280 nan 0.000 0.561 193 V N 1.574 121.262 119.914 -0.375 0.000 3.078 193 V HA -0.163 3.958 4.120 0.002 0.000 0.265 193 V C 1.289 176.875 176.094 -0.847 0.000 1.122 193 V CA 1.251 63.085 62.300 -0.777 0.000 1.141 193 V CB -0.360 31.407 31.823 -0.095 0.000 0.735 193 V HN 0.549 nan 8.190 nan 0.000 0.498 194 E N 2.223 122.127 120.200 -0.494 0.000 2.333 194 E HA -0.002 4.349 4.350 0.002 0.000 0.198 194 E C 2.207 178.587 176.600 -0.366 0.000 1.007 194 E CA 1.250 57.442 56.400 -0.346 0.000 0.845 194 E CB -0.804 28.771 29.700 -0.209 0.000 0.766 194 E HN 0.696 nan 8.360 nan 0.000 0.507 195 G N 0.119 108.580 108.800 -0.565 0.000 2.471 195 G HA2 -0.170 3.792 3.960 0.002 0.000 0.219 195 G HA3 -0.170 3.792 3.960 0.002 0.000 0.219 195 G C 0.715 175.668 174.900 0.088 0.000 1.125 195 G CA 0.863 45.852 45.100 -0.186 0.000 0.775 195 G HN 0.552 nan 8.290 nan 0.000 0.548 196 W N -3.669 117.687 121.300 0.093 0.000 1.807 196 W HA 0.624 5.285 4.660 0.001 0.000 0.251 196 W C -0.632 176.014 176.519 0.211 0.000 0.848 196 W CA -1.376 56.033 57.345 0.107 0.000 1.157 196 W CB 0.160 29.663 29.460 0.071 0.000 0.992 196 W HN -0.092 nan 8.180 nan 0.000 0.506 197 F N 3.742 123.609 119.950 -0.138 0.000 3.034 197 F HA 0.506 5.034 4.527 0.002 0.000 0.371 197 F C 0.163 175.917 175.800 -0.077 0.000 1.233 197 F CA -1.345 56.632 58.000 -0.038 0.000 1.134 197 F CB 0.918 39.920 39.000 0.004 0.000 1.495 197 F HN 0.041 nan 8.300 nan 0.000 0.563 198 T N -0.251 114.181 114.554 -0.203 0.000 3.200 198 T HA 0.243 4.594 4.350 0.002 0.000 0.284 198 T C -0.136 174.381 174.700 -0.304 0.000 1.009 198 T CA -0.397 61.535 62.100 -0.281 0.000 0.907 198 T CB -0.354 68.434 68.868 -0.133 0.000 1.120 198 T HN 0.236 nan 8.240 nan 0.000 0.534 199 D N 2.994 123.153 120.400 -0.401 0.000 2.449 199 D HA 0.125 4.766 4.640 0.002 0.000 0.236 199 D C 0.005 176.162 176.300 -0.238 0.000 1.149 199 D CA 0.299 54.156 54.000 -0.238 0.000 0.878 199 D CB 0.484 41.204 40.800 -0.133 0.000 1.198 199 D HN 0.242 nan 8.370 nan 0.000 0.446 200 D N 0.927 121.244 120.400 -0.138 0.000 2.453 200 D HA 0.052 4.693 4.640 0.002 0.000 0.223 200 D C 0.574 176.828 176.300 -0.077 0.000 1.183 200 D CA -0.155 53.781 54.000 -0.107 0.000 0.933 200 D CB 0.266 41.018 40.800 -0.079 0.000 1.038 200 D HN 0.089 nan 8.370 nan 0.000 0.513 201 T N 1.970 116.480 114.554 -0.073 0.000 2.788 201 T HA -0.124 4.227 4.350 0.002 0.000 0.268 201 T C 1.842 176.552 174.700 0.015 0.000 1.044 201 T CA 1.449 63.543 62.100 -0.010 0.000 1.139 201 T CB 0.058 68.901 68.868 -0.043 0.000 0.867 201 T HN 0.536 nan 8.240 nan 0.000 0.454 202 A N 1.441 124.250 122.820 -0.018 0.000 1.908 202 A HA -0.074 4.247 4.320 0.002 0.000 0.218 202 A C 2.296 179.883 177.584 0.006 0.000 1.181 202 A CA 1.838 53.869 52.037 -0.009 0.000 0.627 202 A CB -0.693 18.295 19.000 -0.021 0.000 0.818 202 A HN 0.533 nan 8.150 nan 0.000 0.445 203 M N -0.928 118.656 119.600 -0.027 0.000 2.229 203 M HA -0.125 4.356 4.480 0.002 0.000 0.264 203 M C 2.292 178.530 176.300 -0.103 0.000 1.063 203 M CA 1.835 57.107 55.300 -0.047 0.000 1.114 203 M CB -0.181 32.387 32.600 -0.053 0.000 1.387 203 M HN 0.504 nan 8.290 nan 0.000 0.420 204 R N -0.279 120.144 120.500 -0.128 0.000 2.073 204 R HA -0.174 4.167 4.340 0.002 0.000 0.234 204 R C 1.735 177.669 176.300 -0.609 0.000 1.134 204 R CA 1.979 57.876 56.100 -0.339 0.000 0.952 204 R CB -0.444 29.712 30.300 -0.238 0.000 0.850 204 R HN 0.371 nan 8.270 nan 0.000 0.433 205 F N 1.246 120.922 119.950 -0.457 0.000 2.259 205 F HA -0.017 4.511 4.527 0.001 0.000 0.298 205 F C 2.217 177.934 175.800 -0.137 0.000 1.088 205 F CA 1.175 58.929 58.000 -0.411 0.000 1.358 205 F CB -0.088 38.703 39.000 -0.350 0.000 1.040 205 F HN 0.129 nan 8.300 nan 0.000 0.505 206 E N -0.197 120.037 120.200 0.057 0.000 2.153 206 E HA -0.179 4.172 4.350 0.002 0.000 0.194 206 E C 2.329 178.949 176.600 0.033 0.000 0.988 206 E CA 0.858 57.309 56.400 0.086 0.000 0.811 206 E CB -0.224 29.503 29.700 0.045 0.000 0.746 206 E HN 0.358 nan 8.360 nan 0.000 0.466 207 A N 0.354 123.111 122.820 -0.106 0.000 2.067 207 A HA -0.141 4.180 4.320 0.002 0.000 0.219 207 A C 1.300 178.884 177.584 0.001 0.000 1.158 207 A CA 0.862 52.840 52.037 -0.098 0.000 0.661 207 A CB -0.390 18.488 19.000 -0.203 0.000 0.801 207 A HN 0.235 nan 8.150 nan 0.000 0.452 208 Y N -0.628 119.664 120.300 -0.013 0.000 2.529 208 Y HA 0.302 4.853 4.550 0.002 0.000 0.290 208 Y C 1.900 177.928 175.900 0.213 0.000 1.177 208 Y CA -0.173 57.951 58.100 0.039 0.000 1.305 208 Y CB -0.717 37.671 38.460 -0.120 0.000 1.047 208 Y HN 0.439 nan 8.280 nan 0.000 0.522 209 G N -1.924 107.076 108.800 0.332 0.000 2.132 209 G HA2 -0.260 3.701 3.960 0.002 0.000 0.228 209 G HA3 -0.260 3.701 3.960 0.002 0.000 0.228 209 G C -0.224 174.893 174.900 0.361 0.000 1.000 209 G CA -0.299 44.962 45.100 0.268 0.000 0.693 209 G HN 0.192 nan 8.290 nan 0.000 0.515 210 W N 0.382 121.781 121.300 0.164 0.000 2.283 210 W HA 0.617 5.278 4.660 0.002 0.000 0.341 210 W C 0.929 177.556 176.519 0.180 0.000 1.206 210 W CA -0.825 56.636 57.345 0.194 0.000 1.294 210 W CB 0.414 30.061 29.460 0.311 0.000 1.154 210 W HN 0.226 nan 8.180 nan 0.000 0.613 211 H N 1.455 120.682 119.070 0.263 0.000 2.620 211 H HA 0.454 5.011 4.556 0.002 0.000 0.313 211 H C -1.190 174.257 175.328 0.199 0.000 1.075 211 H CA -0.112 56.034 56.048 0.164 0.000 1.397 211 H CB 0.794 30.600 29.762 0.073 0.000 1.446 211 H HN 0.139 nan 8.280 nan 0.000 0.493 212 V N 7.647 127.443 119.914 -0.197 0.000 2.604 212 V HA 0.274 4.395 4.120 0.002 0.000 0.305 212 V C 0.168 176.071 176.094 -0.318 0.000 1.043 212 V CA -0.780 61.399 62.300 -0.201 0.000 0.888 212 V CB 1.888 33.694 31.823 -0.029 0.000 0.995 212 V HN 0.688 nan 8.190 nan 0.000 0.429 213 I N 4.740 125.141 120.570 -0.281 0.000 2.354 213 I HA 0.498 4.669 4.170 0.002 0.000 0.286 213 I C 0.296 176.353 176.117 -0.100 0.000 1.007 213 I CA -0.446 60.748 61.300 -0.177 0.000 1.167 213 I CB 1.347 39.253 38.000 -0.156 0.000 1.320 213 I HN 0.519 nan 8.210 nan 0.000 0.458 214 R N 4.387 124.849 120.500 -0.064 0.000 2.532 214 R HA 0.246 4.587 4.340 0.002 0.000 0.272 214 R C -0.188 176.089 176.300 -0.037 0.000 1.032 214 R CA -0.546 55.528 56.100 -0.044 0.000 1.089 214 R CB 0.553 30.834 30.300 -0.032 0.000 1.098 214 R HN 0.552 nan 8.270 nan 0.000 0.526 215 D N 0.901 121.279 120.400 -0.037 0.000 2.708 215 D HA -0.201 4.440 4.640 0.002 0.000 0.236 215 D C -0.593 175.686 176.300 -0.035 0.000 1.146 215 D CA 1.004 54.982 54.000 -0.036 0.000 0.662 215 D CB -0.990 39.795 40.800 -0.024 0.000 1.059 215 D HN 0.387 nan 8.370 nan 0.000 0.428 216 I N 0.874 121.417 120.570 -0.046 0.000 2.471 216 I HA -0.011 4.160 4.170 0.002 0.000 0.286 216 I C 1.110 177.191 176.117 -0.060 0.000 1.079 216 I CA -0.183 61.092 61.300 -0.041 0.000 1.398 216 I CB 0.653 38.631 38.000 -0.036 0.000 1.403 216 I HN -0.149 nan 8.210 nan 0.000 0.530 217 D N 5.912 126.285 120.400 -0.045 0.000 2.342 217 D HA 0.038 4.679 4.640 0.002 0.000 0.260 217 D C 1.153 177.380 176.300 -0.122 0.000 1.278 217 D CA 0.044 54.011 54.000 -0.055 0.000 0.910 217 D CB 1.355 42.150 40.800 -0.009 0.000 1.079 217 D HN 0.725 nan 8.370 nan 0.000 0.496 218 G N 3.080 111.730 108.800 -0.250 0.000 2.776 218 G HA2 -0.156 3.805 3.960 0.002 0.000 0.209 218 G HA3 -0.156 3.805 3.960 0.002 0.000 0.209 218 G C 0.904 175.431 174.900 -0.620 0.000 1.145 218 G CA 0.192 45.044 45.100 -0.413 0.000 0.791 218 G HN 0.611 nan 8.290 nan 0.000 0.530 219 H N -0.535 118.448 119.070 -0.146 0.000 2.592 219 H HA 0.160 4.717 4.556 0.002 0.000 0.279 219 H C -0.616 174.635 175.328 -0.128 0.000 1.089 219 H CA -0.326 55.580 56.048 -0.237 0.000 1.150 219 H CB 1.009 30.558 29.762 -0.355 0.000 1.575 219 H HN 0.323 nan 8.280 nan 0.000 0.547 220 D N 0.410 120.799 120.400 -0.018 0.000 2.464 220 D HA 0.381 5.022 4.640 0.002 0.000 0.243 220 D C 1.227 177.530 176.300 0.004 0.000 1.104 220 D CA -0.284 53.722 54.000 0.009 0.000 0.883 220 D CB 0.970 41.782 40.800 0.019 0.000 1.050 220 D HN 0.115 nan 8.370 nan 0.000 0.524 221 A N 3.671 126.497 122.820 0.009 0.000 1.903 221 A HA -0.184 4.137 4.320 0.002 0.000 0.219 221 A C 2.186 179.795 177.584 0.041 0.000 1.191 221 A CA 2.197 54.247 52.037 0.021 0.000 0.638 221 A CB -0.834 18.173 19.000 0.012 0.000 0.823 221 A HN 0.653 nan 8.150 nan 0.000 0.451 222 A N -0.946 121.896 122.820 0.036 0.000 1.933 222 A HA -0.051 4.270 4.320 0.002 0.000 0.218 222 A C 2.437 180.052 177.584 0.052 0.000 1.175 222 A CA 2.070 54.134 52.037 0.046 0.000 0.628 222 A CB -0.820 18.201 19.000 0.035 0.000 0.814 222 A HN 0.486 nan 8.150 nan 0.000 0.444 223 S N -0.194 115.529 115.700 0.038 0.000 2.368 223 S HA -0.100 4.371 4.470 0.002 0.000 0.225 223 S C 1.782 176.410 174.600 0.045 0.000 1.030 223 S CA 1.462 59.683 58.200 0.034 0.000 0.999 223 S CB -0.462 62.747 63.200 0.016 0.000 0.844 223 S HN 0.549 nan 8.310 nan 0.000 0.459 224 I N 1.415 122.016 120.570 0.052 0.000 2.202 224 I HA -0.194 3.977 4.170 0.002 0.000 0.242 224 I C 2.477 178.669 176.117 0.125 0.000 1.091 224 I CA 1.181 62.532 61.300 0.085 0.000 1.368 224 I CB -0.244 37.803 38.000 0.079 0.000 1.058 224 I HN 0.208 nan 8.210 nan 0.000 0.410 225 K N 1.169 121.660 120.400 0.151 0.000 2.032 225 K HA -0.253 4.068 4.320 0.002 0.000 0.209 225 K C 2.393 179.101 176.600 0.180 0.000 1.048 225 K CA 1.616 58.048 56.287 0.242 0.000 0.927 225 K CB -0.138 32.498 32.500 0.227 0.000 0.712 225 K HN 0.118 nan 8.250 nan 0.000 0.441 226 R N -0.043 120.527 120.500 0.115 0.000 2.096 226 R HA -0.100 4.241 4.340 0.002 0.000 0.235 226 R C 2.045 178.379 176.300 0.058 0.000 1.127 226 R CA 1.337 57.489 56.100 0.087 0.000 0.968 226 R CB -0.268 30.071 30.300 0.066 0.000 0.861 226 R HN 0.288 nan 8.270 nan 0.000 0.440 227 A N 0.269 123.114 122.820 0.043 0.000 1.930 227 A HA -0.055 4.266 4.320 0.002 0.000 0.217 227 A C 2.201 179.771 177.584 -0.025 0.000 1.175 227 A CA 1.306 53.353 52.037 0.016 0.000 0.627 227 A CB -0.315 18.687 19.000 0.003 0.000 0.815 227 A HN 0.220 nan 8.150 nan 0.000 0.443 228 V N 0.155 120.025 119.914 -0.073 0.000 2.358 228 V HA -0.255 3.866 4.120 0.002 0.000 0.246 228 V C 2.355 178.299 176.094 -0.251 0.000 1.047 228 V CA 2.174 64.322 62.300 -0.254 0.000 1.035 228 V CB -0.866 30.613 31.823 -0.572 0.000 0.658 228 V HN 0.631 nan 8.190 nan 0.000 0.452 229 E N -0.043 120.086 120.200 -0.117 0.000 2.085 229 E HA -0.303 4.048 4.350 0.002 0.000 0.194 229 E C 2.276 178.882 176.600 0.010 0.000 0.994 229 E CA 1.636 58.041 56.400 0.008 0.000 0.801 229 E CB -0.158 29.610 29.700 0.114 0.000 0.743 229 E HN 0.696 nan 8.360 nan 0.000 0.453 230 E N 0.511 120.728 120.200 0.028 0.000 2.077 230 E HA -0.198 4.153 4.350 0.002 0.000 0.193 230 E C 2.052 178.677 176.600 0.041 0.000 0.989 230 E CA 0.956 57.385 56.400 0.048 0.000 0.800 230 E CB -0.057 29.701 29.700 0.098 0.000 0.746 230 E HN 0.222 nan 8.360 nan 0.000 0.452 231 A N 1.110 123.983 122.820 0.089 0.000 1.972 231 A HA -0.146 4.175 4.320 0.002 0.000 0.219 231 A C 2.128 179.724 177.584 0.021 0.000 1.169 231 A CA 1.279 53.386 52.037 0.117 0.000 0.635 231 A CB -0.401 18.642 19.000 0.071 0.000 0.810 231 A HN 0.171 nan 8.150 nan 0.000 0.446 232 R N -0.651 119.837 120.500 -0.020 0.000 2.148 232 R HA -0.010 4.331 4.340 0.002 0.000 0.227 232 R C 2.103 178.433 176.300 0.050 0.000 1.103 232 R CA 1.017 57.119 56.100 0.003 0.000 0.983 232 R CB -0.287 29.956 30.300 -0.095 0.000 0.874 232 R HN 0.495 nan 8.270 nan 0.000 0.451 233 A N 0.442 123.264 122.820 0.004 0.000 2.169 233 A HA 0.083 4.404 4.320 0.002 0.000 0.212 233 A C 0.648 178.198 177.584 -0.057 0.000 1.153 233 A CA 0.144 52.176 52.037 -0.007 0.000 0.756 233 A CB 0.510 19.504 19.000 -0.010 0.000 0.813 233 A HN 0.010 nan 8.150 nan 0.000 0.471 234 V N 1.949 121.792 119.914 -0.117 0.000 2.353 234 V HA 0.154 4.275 4.120 0.002 0.000 0.264 234 V C 1.423 177.461 176.094 -0.092 0.000 1.049 234 V CA 0.703 62.897 62.300 -0.177 0.000 0.896 234 V CB 0.468 32.046 31.823 -0.408 0.000 1.025 234 V HN 0.599 nan 8.190 nan 0.000 0.475 235 T N -1.024 113.488 114.554 -0.070 0.000 3.086 235 T HA 0.020 4.371 4.350 0.002 0.000 0.250 235 T C 0.798 175.447 174.700 -0.084 0.000 1.074 235 T CA 0.443 62.507 62.100 -0.060 0.000 0.988 235 T CB -0.059 68.783 68.868 -0.043 0.000 0.988 235 T HN 0.689 nan 8.240 nan 0.000 0.530 236 D N 0.288 120.637 120.400 -0.085 0.000 2.431 236 D HA 0.213 4.854 4.640 0.002 0.000 0.213 236 D C 0.156 176.396 176.300 -0.101 0.000 1.130 236 D CA -0.325 53.622 54.000 -0.087 0.000 0.834 236 D CB 0.247 41.009 40.800 -0.064 0.000 0.985 236 D HN 0.328 nan 8.370 nan 0.000 0.504 237 K N 0.730 121.062 120.400 -0.115 0.000 2.502 237 K HA 0.449 4.770 4.320 0.002 0.000 0.257 237 K C -2.952 173.512 176.600 -0.227 0.000 0.938 237 K CA -1.984 54.216 56.287 -0.145 0.000 0.819 237 K CB 2.845 35.326 32.500 -0.031 0.000 1.333 237 K HN -0.176 nan 8.250 nan 0.000 0.434 238 P HA 0.092 nan 4.420 nan 0.000 0.272 238 P C -0.863 176.224 177.300 -0.356 0.000 1.223 238 P CA -0.328 62.357 63.100 -0.692 0.000 0.784 238 P CB 0.789 31.509 31.700 -1.633 0.000 0.923 239 S N 1.038 116.692 115.700 -0.075 0.000 2.503 239 S HA 0.556 5.027 4.470 0.002 0.000 0.301 239 S C -0.617 174.184 174.600 0.336 0.000 1.087 239 S CA -0.507 57.821 58.200 0.214 0.000 1.042 239 S CB 0.794 64.117 63.200 0.205 0.000 1.043 239 S HN 0.361 nan 8.310 nan 0.000 0.489 240 L N 3.983 125.379 121.223 0.288 0.000 2.298 240 L HA 0.564 4.905 4.340 0.002 0.000 0.284 240 L C -1.435 175.366 176.870 -0.114 0.000 1.013 240 L CA -0.359 54.518 54.840 0.062 0.000 0.824 240 L CB 0.617 42.558 42.059 -0.197 0.000 1.221 240 L HN 0.586 nan 8.230 nan 0.000 0.418 241 L N 6.427 127.548 121.223 -0.170 0.000 2.259 241 L HA 0.428 4.769 4.340 0.002 0.000 0.288 241 L C -0.276 176.555 176.870 -0.063 0.000 1.051 241 L CA -0.249 54.485 54.840 -0.176 0.000 0.824 241 L CB 0.994 42.852 42.059 -0.334 0.000 1.206 241 L HN 0.650 nan 8.230 nan 0.000 0.429 242 M N 3.524 123.097 119.600 -0.044 0.000 2.094 242 M HA 0.250 4.731 4.480 0.002 0.000 0.348 242 M C -0.839 175.416 176.300 -0.074 0.000 1.267 242 M CA -0.130 55.170 55.300 0.000 0.000 1.125 242 M CB 0.821 33.435 32.600 0.023 0.000 1.527 242 M HN 0.560 nan 8.290 nan 0.000 0.447 243 C N 3.548 122.772 119.300 -0.127 0.000 2.251 243 C HA 0.342 4.803 4.460 0.002 0.000 0.323 243 C C 0.487 175.343 174.990 -0.224 0.000 1.241 243 C CA -1.031 57.897 59.018 -0.149 0.000 1.601 243 C CB 0.239 27.895 27.740 -0.140 0.000 2.251 243 C HN 0.694 nan 8.230 nan 0.000 0.488 244 K N 3.324 123.619 120.400 -0.175 0.000 2.383 244 K HA 0.404 4.725 4.320 0.002 0.000 0.286 244 K C 0.465 176.954 176.600 -0.184 0.000 1.051 244 K CA 0.489 56.684 56.287 -0.154 0.000 0.974 244 K CB 0.341 32.791 32.500 -0.084 0.000 0.968 244 K HN 0.859 nan 8.250 nan 0.000 0.475 245 T N 1.114 115.578 114.554 -0.149 0.000 2.901 245 T HA 0.559 4.910 4.350 0.002 0.000 0.293 245 T C -0.153 174.657 174.700 0.184 0.000 1.084 245 T CA -0.995 61.044 62.100 -0.102 0.000 1.008 245 T CB 0.734 69.494 68.868 -0.180 0.000 1.170 245 T HN 0.376 nan 8.240 nan 0.000 0.509 246 I N 1.731 122.607 120.570 0.510 0.000 2.330 246 I HA 0.384 4.555 4.170 0.002 0.000 0.289 246 I C 0.310 176.580 176.117 0.256 0.000 1.001 246 I CA -1.049 60.442 61.300 0.318 0.000 1.193 246 I CB 1.341 39.524 38.000 0.306 0.000 1.345 246 I HN 0.651 nan 8.210 nan 0.000 0.461 247 I N 6.516 127.181 120.570 0.158 0.000 2.683 247 I HA 0.115 4.286 4.170 0.002 0.000 0.286 247 I C 1.333 177.523 176.117 0.122 0.000 1.175 247 I CA 1.024 62.407 61.300 0.137 0.000 1.429 247 I CB 0.447 38.523 38.000 0.126 0.000 1.371 247 I HN 0.942 nan 8.210 nan 0.000 0.569 248 G N 5.792 114.660 108.800 0.114 0.000 2.160 248 G HA2 -0.349 3.612 3.960 0.002 0.000 0.251 248 G HA3 -0.349 3.612 3.960 0.002 0.000 0.251 248 G C 0.275 175.217 174.900 0.070 0.000 1.008 248 G CA 0.092 45.234 45.100 0.071 0.000 0.724 248 G HN 0.724 nan 8.290 nan 0.000 0.514 249 F N 0.998 120.926 119.950 -0.037 0.000 2.548 249 F HA 0.313 4.841 4.527 0.002 0.000 0.403 249 F C 1.558 177.294 175.800 -0.107 0.000 1.004 249 F CA 2.125 60.056 58.000 -0.115 0.000 1.177 249 F CB 0.214 39.078 39.000 -0.226 0.000 0.974 249 F HN 1.084 nan 8.300 nan 0.000 0.541 250 G N 2.960 111.416 108.800 -0.574 0.000 2.436 250 G HA2 -0.225 3.736 3.960 0.002 0.000 0.204 250 G HA3 -0.225 3.736 3.960 0.002 0.000 0.204 250 G C 0.311 175.077 174.900 -0.222 0.000 1.026 250 G CA -0.052 44.833 45.100 -0.359 0.000 0.658 250 G HN 1.066 nan 8.290 nan 0.000 0.499 251 S N 2.453 118.059 115.700 -0.157 0.000 2.474 251 S HA 0.559 5.030 4.470 0.002 0.000 0.276 251 S C -0.395 174.139 174.600 -0.109 0.000 1.227 251 S CA -0.370 57.768 58.200 -0.103 0.000 1.050 251 S CB 1.573 64.735 63.200 -0.063 0.000 0.939 251 S HN 0.101 nan 8.310 nan 0.000 0.490 252 P HA -0.037 nan 4.420 nan 0.000 0.216 252 P C 0.759 178.025 177.300 -0.056 0.000 1.153 252 P CA 1.148 64.198 63.100 -0.083 0.000 0.848 252 P CB 0.133 31.794 31.700 -0.065 0.000 0.787 253 N N -1.439 117.236 118.700 -0.042 0.000 2.356 253 N HA 0.059 4.800 4.740 0.002 0.000 0.178 253 N C 1.196 176.696 175.510 -0.016 0.000 1.075 253 N CA 0.580 53.615 53.050 -0.024 0.000 0.889 253 N CB 0.292 38.767 38.487 -0.019 0.000 0.999 253 N HN 0.250 nan 8.380 nan 0.000 0.464 254 K N 0.406 120.791 120.400 -0.025 0.000 2.380 254 K HA 0.299 4.620 4.320 0.002 0.000 0.198 254 K C 0.340 176.937 176.600 -0.004 0.000 1.070 254 K CA -0.201 56.078 56.287 -0.014 0.000 1.040 254 K CB 1.134 33.620 32.500 -0.022 0.000 0.903 254 K HN -0.040 nan 8.250 nan 0.000 0.549 255 A N 1.042 123.849 122.820 -0.022 0.000 2.565 255 A HA 0.336 4.657 4.320 0.002 0.000 0.237 255 A C 1.237 178.834 177.584 0.022 0.000 1.053 255 A CA 1.148 53.177 52.037 -0.014 0.000 0.755 255 A CB -0.541 18.411 19.000 -0.081 0.000 0.980 255 A HN 0.557 nan 8.150 nan 0.000 0.506 256 G N 1.366 110.197 108.800 0.053 0.000 2.162 256 G HA2 -0.146 3.815 3.960 0.002 0.000 0.260 256 G HA3 -0.146 3.815 3.960 0.002 0.000 0.260 256 G C 0.519 175.459 174.900 0.067 0.000 0.976 256 G CA 1.385 46.527 45.100 0.070 0.000 0.655 256 G HN 2.336 nan 8.290 nan 0.000 0.533 257 T N -3.226 111.368 114.554 0.066 0.000 2.942 257 T HA 0.606 4.957 4.350 0.002 0.000 0.289 257 T C 1.270 176.034 174.700 0.107 0.000 1.044 257 T CA 0.271 62.430 62.100 0.098 0.000 1.023 257 T CB 1.418 70.343 68.868 0.095 0.000 1.123 257 T HN 0.717 nan 8.240 nan 0.000 0.512 258 H N 0.253 119.324 119.070 0.003 0.000 2.559 258 H HA 0.052 4.609 4.556 0.002 0.000 0.273 258 H C 0.508 175.886 175.328 0.084 0.000 1.000 258 H CA 0.684 56.757 56.048 0.041 0.000 1.195 258 H CB -0.394 29.381 29.762 0.022 0.000 1.368 258 H HN 0.635 nan 8.280 nan 0.000 0.592 259 D N 1.202 121.375 120.400 -0.377 0.000 2.264 259 D HA -0.121 4.520 4.640 0.002 0.000 0.208 259 D C 1.939 178.191 176.300 -0.079 0.000 0.966 259 D CA 1.478 55.320 54.000 -0.264 0.000 0.864 259 D CB -0.004 40.677 40.800 -0.199 0.000 0.933 259 D HN 0.588 nan 8.370 nan 0.000 0.499 260 S N -0.534 115.160 115.700 -0.010 0.000 2.593 260 S HA -0.080 4.391 4.470 0.002 0.000 0.217 260 S C 1.666 176.304 174.600 0.063 0.000 0.966 260 S CA 0.138 58.350 58.200 0.020 0.000 0.914 260 S CB -0.129 63.089 63.200 0.030 0.000 0.776 260 S HN 0.301 nan 8.310 nan 0.000 0.523 261 H N 2.294 121.382 119.070 0.030 0.000 2.293 261 H HA 0.153 4.710 4.556 0.002 0.000 0.300 261 H C 1.459 176.857 175.328 0.117 0.000 1.082 261 H CA 1.993 58.102 56.048 0.102 0.000 1.308 261 H CB -0.530 29.293 29.762 0.101 0.000 1.375 261 H HN 0.473 nan 8.280 nan 0.000 0.495 262 G N -1.331 107.419 108.800 -0.083 0.000 4.867 262 G HA2 0.596 4.557 3.960 0.002 0.000 0.258 262 G HA3 0.596 4.557 3.960 0.002 0.000 0.258 262 G C -1.003 173.733 174.900 -0.272 0.000 0.999 262 G CA 0.249 45.131 45.100 -0.364 0.000 0.797 262 G HN 0.639 nan 8.290 nan 0.000 0.505 263 A N 0.259 122.987 122.820 -0.155 0.000 2.572 263 A HA 0.914 5.235 4.320 0.002 0.000 0.295 263 A C -3.117 174.425 177.584 -0.070 0.000 1.072 263 A CA -1.321 50.653 52.037 -0.105 0.000 0.691 263 A CB 1.583 20.543 19.000 -0.067 0.000 1.291 263 A HN 0.024 nan 8.150 nan 0.000 0.404 264 P HA 0.186 nan 4.420 nan 0.000 0.268 264 P C 0.729 178.012 177.300 -0.027 0.000 1.208 264 P CA -0.106 62.981 63.100 -0.023 0.000 0.777 264 P CB 0.440 32.136 31.700 -0.006 0.000 0.875 265 L N 0.904 122.112 121.223 -0.025 0.000 2.156 265 L HA 0.134 4.475 4.340 0.002 0.000 0.208 265 L C 1.174 178.031 176.870 -0.021 0.000 1.095 265 L CA 1.152 55.975 54.840 -0.027 0.000 0.770 265 L CB -0.948 41.092 42.059 -0.031 0.000 0.914 265 L HN 0.726 nan 8.230 nan 0.000 0.439 266 G N -0.341 108.449 108.800 -0.015 0.000 2.674 266 G HA2 -0.166 3.795 3.960 0.002 0.000 0.686 266 G HA3 -0.166 3.795 3.960 0.002 0.000 0.686 266 G C -0.265 174.630 174.900 -0.008 0.000 1.195 266 G CA -0.333 44.762 45.100 -0.010 0.000 0.776 266 G HN 0.020 nan 8.290 nan 0.000 0.654 267 D N 0.636 121.035 120.400 -0.002 0.000 2.104 267 D HA -0.150 4.491 4.640 0.002 0.000 0.194 267 D C 2.793 179.091 176.300 -0.003 0.000 0.994 267 D CA 2.216 56.216 54.000 0.001 0.000 0.830 267 D CB -0.332 40.473 40.800 0.007 0.000 0.959 267 D HN 0.903 nan 8.370 nan 0.000 0.452 268 A N 0.971 123.789 122.820 -0.004 0.000 1.883 268 A HA -0.233 4.088 4.320 0.002 0.000 0.217 268 A C 2.164 179.741 177.584 -0.011 0.000 1.186 268 A CA 1.988 54.022 52.037 -0.006 0.000 0.624 268 A CB -0.546 18.450 19.000 -0.006 0.000 0.822 268 A HN 0.134 nan 8.150 nan 0.000 0.444 269 E N 0.124 120.316 120.200 -0.014 0.000 2.077 269 E HA -0.119 4.232 4.350 0.002 0.000 0.193 269 E C 1.690 178.276 176.600 -0.023 0.000 0.989 269 E CA 1.264 57.652 56.400 -0.021 0.000 0.800 269 E CB -0.393 29.293 29.700 -0.024 0.000 0.746 269 E HN 0.636 nan 8.360 nan 0.000 0.452 270 I N 0.151 120.708 120.570 -0.021 0.000 2.226 270 I HA -0.287 3.884 4.170 0.002 0.000 0.245 270 I C 2.274 178.385 176.117 -0.010 0.000 1.100 270 I CA 1.049 62.335 61.300 -0.023 0.000 1.374 270 I CB -0.321 37.664 38.000 -0.025 0.000 1.057 270 I HN 0.193 nan 8.210 nan 0.000 0.413 271 A N 0.840 123.657 122.820 -0.005 0.000 1.877 271 A HA -0.170 4.151 4.320 0.002 0.000 0.216 271 A C 2.250 179.832 177.584 -0.003 0.000 1.186 271 A CA 1.411 53.449 52.037 0.002 0.000 0.620 271 A CB -0.871 18.129 19.000 0.000 0.000 0.822 271 A HN 0.396 nan 8.150 nan 0.000 0.443 272 L N -0.687 120.529 121.223 -0.012 0.000 2.131 272 L HA -0.146 4.195 4.340 0.002 0.000 0.210 272 L C 2.659 179.514 176.870 -0.024 0.000 1.092 272 L CA 1.595 56.423 54.840 -0.019 0.000 0.759 272 L CB -0.825 41.218 42.059 -0.026 0.000 0.903 272 L HN 0.337 nan 8.230 nan 0.000 0.435 273 T N -0.861 113.678 114.554 -0.026 0.000 2.812 273 T HA -0.118 4.233 4.350 0.002 0.000 0.264 273 T C 2.052 176.752 174.700 -0.001 0.000 1.042 273 T CA 0.953 63.032 62.100 -0.035 0.000 1.140 273 T CB -0.096 68.745 68.868 -0.046 0.000 0.870 273 T HN 0.267 nan 8.240 nan 0.000 0.445 274 R N 0.876 121.394 120.500 0.030 0.000 2.091 274 R HA -0.101 4.240 4.340 0.002 0.000 0.238 274 R C 2.581 178.925 176.300 0.072 0.000 1.136 274 R CA 1.560 57.720 56.100 0.100 0.000 0.959 274 R CB -0.195 30.180 30.300 0.125 0.000 0.856 274 R HN 0.549 nan 8.270 nan 0.000 0.437 275 E N 0.715 120.929 120.200 0.024 0.000 2.072 275 E HA -0.241 4.110 4.350 0.002 0.000 0.191 275 E C 2.057 178.658 176.600 0.001 0.000 0.985 275 E CA 1.074 57.477 56.400 0.005 0.000 0.801 275 E CB 0.091 29.785 29.700 -0.010 0.000 0.750 275 E HN 0.307 nan 8.360 nan 0.000 0.452 276 Q N 0.081 119.872 119.800 -0.015 0.000 2.119 276 Q HA -0.109 4.232 4.340 0.002 0.000 0.201 276 Q C 2.313 178.304 176.000 -0.014 0.000 0.972 276 Q CA 1.035 56.815 55.803 -0.038 0.000 0.847 276 Q CB 0.091 28.777 28.738 -0.088 0.000 0.903 276 Q HN 0.401 nan 8.270 nan 0.000 0.433 277 L N -1.207 120.030 121.223 0.024 0.000 2.313 277 L HA 0.045 4.386 4.340 0.002 0.000 0.214 277 L C 1.221 178.171 176.870 0.133 0.000 1.119 277 L CA 0.636 55.529 54.840 0.087 0.000 0.809 277 L CB -0.027 42.102 42.059 0.117 0.000 0.933 277 L HN 0.468 nan 8.230 nan 0.000 0.449 278 G N -0.939 107.924 108.800 0.105 0.000 2.160 278 G HA2 -0.286 3.675 3.960 0.002 0.000 0.244 278 G HA3 -0.286 3.675 3.960 0.002 0.000 0.244 278 G C -0.112 174.856 174.900 0.113 0.000 1.022 278 G CA -0.286 44.860 45.100 0.077 0.000 0.741 278 G HN 0.401 nan 8.290 nan 0.000 0.508 279 W N 1.515 122.793 121.300 -0.038 0.000 2.308 279 W HA 0.485 5.146 4.660 0.001 0.000 0.311 279 W C 0.810 177.253 176.519 -0.128 0.000 1.088 279 W CA -0.555 56.769 57.345 -0.034 0.000 1.309 279 W CB 0.472 29.940 29.460 0.014 0.000 1.229 279 W HN 0.302 nan 8.180 nan 0.000 0.427 280 K N 4.236 124.159 120.400 -0.794 0.000 2.367 280 K HA 0.025 4.346 4.320 0.002 0.000 0.194 280 K C -0.295 175.819 176.600 -0.810 0.000 1.027 280 K CA 0.209 56.042 56.287 -0.757 0.000 1.075 280 K CB 0.144 32.126 32.500 -0.864 0.000 0.845 280 K HN 0.173 nan 8.250 nan 0.000 0.529 281 Y N 1.919 121.816 120.300 -0.671 0.000 2.307 281 Y HA 0.382 4.934 4.550 0.003 0.000 0.324 281 Y C 0.937 176.824 175.900 -0.021 0.000 1.238 281 Y CA -1.287 56.622 58.100 -0.319 0.000 1.280 281 Y CB 0.564 38.784 38.460 -0.399 0.000 1.248 281 Y HN -0.016 nan 8.280 nan 0.000 0.508 282 A N 2.815 125.739 122.820 0.174 0.000 2.296 282 A HA 0.452 4.773 4.320 0.002 0.000 0.264 282 A C -2.499 175.180 177.584 0.158 0.000 1.097 282 A CA -1.666 50.455 52.037 0.139 0.000 0.811 282 A CB -0.545 18.521 19.000 0.111 0.000 1.072 282 A HN 0.537 nan 8.150 nan 0.000 0.495 283 P HA 0.214 nan 4.420 nan 0.000 0.265 283 P C -0.510 176.802 177.300 0.021 0.000 1.193 283 P CA 0.630 63.665 63.100 -0.108 0.000 0.765 283 P CB -0.201 31.451 31.700 -0.080 0.000 0.823 284 F N -0.594 119.405 119.950 0.083 0.000 3.034 284 F HA -0.223 4.305 4.527 0.001 0.000 0.286 284 F C 0.657 176.508 175.800 0.086 0.000 0.804 284 F CA 0.896 58.925 58.000 0.048 0.000 1.161 284 F CB -1.979 37.029 39.000 0.014 0.000 1.317 284 F HN 0.344 nan 8.300 nan 0.000 0.453 285 E N 1.663 121.987 120.200 0.207 0.000 2.155 285 E HA 0.560 4.911 4.350 0.002 0.000 0.264 285 E C -0.790 175.870 176.600 0.100 0.000 0.886 285 E CA -0.566 55.936 56.400 0.170 0.000 0.752 285 E CB 0.889 30.693 29.700 0.173 0.000 1.133 285 E HN 0.166 nan 8.360 nan 0.000 0.414 286 I N 6.328 126.913 120.570 0.026 0.000 2.436 286 I HA 0.345 4.516 4.170 0.002 0.000 0.289 286 I C -2.157 173.832 176.117 -0.212 0.000 1.010 286 I CA -2.587 58.610 61.300 -0.171 0.000 1.098 286 I CB 1.264 39.039 38.000 -0.375 0.000 1.266 286 I HN 0.505 nan 8.210 nan 0.000 0.434 287 P HA 0.142 nan 4.420 nan 0.000 0.274 287 P C 0.851 178.144 177.300 -0.012 0.000 1.231 287 P CA -0.178 62.770 63.100 -0.253 0.000 0.790 287 P CB 0.834 32.271 31.700 -0.438 0.000 0.951 288 S N 1.272 117.031 115.700 0.099 0.000 2.402 288 S HA -0.237 4.234 4.470 0.002 0.000 0.233 288 S C 1.567 176.253 174.600 0.144 0.000 1.030 288 S CA 1.342 59.652 58.200 0.183 0.000 1.003 288 S CB -0.886 62.376 63.200 0.102 0.000 0.813 288 S HN 0.706 nan 8.310 nan 0.000 0.477 289 E N 1.631 121.872 120.200 0.068 0.000 2.208 289 E HA -0.086 4.265 4.350 0.002 0.000 0.193 289 E C 2.028 178.676 176.600 0.080 0.000 0.988 289 E CA 0.978 57.416 56.400 0.063 0.000 0.828 289 E CB -0.416 29.305 29.700 0.037 0.000 0.763 289 E HN 0.660 nan 8.360 nan 0.000 0.478 290 I N 0.021 120.626 120.570 0.059 0.000 2.406 290 I HA -0.201 3.970 4.170 0.002 0.000 0.249 290 I C 2.048 178.282 176.117 0.196 0.000 1.122 290 I CA 0.763 62.128 61.300 0.109 0.000 1.431 290 I CB -0.314 37.722 38.000 0.061 0.000 1.087 290 I HN 0.001 nan 8.210 nan 0.000 0.424 291 Y N 1.054 121.443 120.300 0.148 0.000 2.207 291 Y HA -0.240 4.311 4.550 0.002 0.000 0.287 291 Y C 2.675 178.655 175.900 0.134 0.000 1.156 291 Y CA 1.327 59.508 58.100 0.134 0.000 1.182 291 Y CB -0.816 37.675 38.460 0.051 0.000 0.979 291 Y HN 0.129 nan 8.280 nan 0.000 0.521 292 A N -0.398 122.573 122.820 0.252 0.000 1.972 292 A HA -0.238 4.083 4.320 0.002 0.000 0.219 292 A C 2.066 179.722 177.584 0.120 0.000 1.169 292 A CA 1.795 53.921 52.037 0.149 0.000 0.635 292 A CB -0.555 18.502 19.000 0.094 0.000 0.810 292 A HN 0.556 nan 8.150 nan 0.000 0.446 293 Q N -2.585 117.281 119.800 0.110 0.000 2.331 293 Q HA -0.096 4.245 4.340 0.002 0.000 0.203 293 Q C 1.634 177.638 176.000 0.006 0.000 0.944 293 Q CA 0.887 56.698 55.803 0.013 0.000 0.892 293 Q CB -0.061 28.641 28.738 -0.059 0.000 0.983 293 Q HN 0.900 nan 8.270 nan 0.000 0.482 294 W N 1.002 122.341 121.300 0.066 0.000 2.704 294 W HA 0.047 4.707 4.660 -0.000 0.000 0.266 294 W C 0.315 176.899 176.519 0.108 0.000 1.266 294 W CA -0.539 56.855 57.345 0.082 0.000 1.377 294 W CB 0.478 29.975 29.460 0.061 0.000 1.082 294 W HN 0.002 nan 8.180 nan 0.000 0.608 295 D N -0.101 120.501 120.400 0.336 0.000 2.488 295 D HA 0.184 4.825 4.640 0.002 0.000 0.238 295 D C 0.700 177.092 176.300 0.154 0.000 1.138 295 D CA 0.696 54.825 54.000 0.215 0.000 0.873 295 D CB 1.182 42.057 40.800 0.126 0.000 1.183 295 D HN 0.044 nan 8.370 nan 0.000 0.458 296 A N 3.633 126.520 122.820 0.112 0.000 2.589 296 A HA 0.118 4.439 4.320 0.002 0.000 0.283 296 A C 1.517 179.045 177.584 -0.093 0.000 1.187 296 A CA -0.367 51.684 52.037 0.022 0.000 0.957 296 A CB 0.166 19.184 19.000 0.030 0.000 1.175 296 A HN 0.565 nan 8.150 nan 0.000 0.532 297 K N 0.207 120.561 120.400 -0.076 0.000 2.097 297 K HA -0.138 4.183 4.320 0.002 0.000 0.205 297 K C 1.765 178.301 176.600 -0.106 0.000 1.050 297 K CA 1.513 57.729 56.287 -0.118 0.000 0.938 297 K CB 0.096 32.538 32.500 -0.096 0.000 0.718 297 K HN 0.659 nan 8.250 nan 0.000 0.442 298 E N 0.637 120.795 120.200 -0.070 0.000 2.047 298 E HA -0.149 4.202 4.350 0.002 0.000 0.191 298 E C 1.978 178.538 176.600 -0.067 0.000 0.987 298 E CA 0.909 57.272 56.400 -0.061 0.000 0.799 298 E CB 0.009 29.686 29.700 -0.037 0.000 0.752 298 E HN 0.284 nan 8.360 nan 0.000 0.449 299 A N 0.674 123.459 122.820 -0.058 0.000 1.930 299 A HA -0.078 4.243 4.320 0.002 0.000 0.217 299 A C 2.360 179.893 177.584 -0.085 0.000 1.175 299 A CA 1.676 53.682 52.037 -0.051 0.000 0.627 299 A CB -1.021 17.963 19.000 -0.026 0.000 0.815 299 A HN 0.436 nan 8.150 nan 0.000 0.443 300 G N -0.932 107.783 108.800 -0.142 0.000 2.402 300 G HA2 -0.250 3.711 3.960 0.002 0.000 0.216 300 G HA3 -0.250 3.711 3.960 0.002 0.000 0.216 300 G C 1.621 176.376 174.900 -0.242 0.000 1.162 300 G CA 1.047 46.028 45.100 -0.197 0.000 0.777 300 G HN 0.621 nan 8.290 nan 0.000 0.539 301 Q N 0.127 119.806 119.800 -0.202 0.000 2.124 301 Q HA 0.015 4.356 4.340 0.002 0.000 0.202 301 Q C 2.765 178.656 176.000 -0.182 0.000 0.977 301 Q CA 1.436 57.115 55.803 -0.206 0.000 0.850 301 Q CB -0.288 28.364 28.738 -0.144 0.000 0.901 301 Q HN 0.401 nan 8.270 nan 0.000 0.429 302 A N 1.109 123.854 122.820 -0.124 0.000 1.877 302 A HA -0.210 4.111 4.320 0.002 0.000 0.216 302 A C 1.952 179.490 177.584 -0.077 0.000 1.186 302 A CA 1.740 53.730 52.037 -0.079 0.000 0.620 302 A CB -0.364 18.610 19.000 -0.043 0.000 0.822 302 A HN 0.337 nan 8.150 nan 0.000 0.443 303 K N -0.727 119.621 120.400 -0.087 0.000 2.097 303 K HA -0.132 4.189 4.320 0.002 0.000 0.205 303 K C 2.111 178.592 176.600 -0.198 0.000 1.050 303 K CA 1.400 57.674 56.287 -0.021 0.000 0.938 303 K CB -0.084 32.480 32.500 0.107 0.000 0.718 303 K HN 0.698 nan 8.250 nan 0.000 0.442 304 E N 0.604 120.436 120.200 -0.613 0.000 2.107 304 E HA -0.118 4.233 4.350 0.002 0.000 0.191 304 E C 1.727 178.140 176.600 -0.312 0.000 0.982 304 E CA 0.914 56.721 56.400 -0.989 0.000 0.809 304 E CB 0.181 29.115 29.700 -1.276 0.000 0.756 304 E HN 0.083 nan 8.360 nan 0.000 0.459 305 S N 0.361 115.942 115.700 -0.198 0.000 2.383 305 S HA -0.195 4.276 4.470 0.002 0.000 0.229 305 S C 1.976 176.582 174.600 0.010 0.000 1.030 305 S CA 1.066 59.224 58.200 -0.070 0.000 1.002 305 S CB -0.232 62.931 63.200 -0.062 0.000 0.829 305 S HN 0.484 nan 8.310 nan 0.000 0.467 306 A N -0.016 122.826 122.820 0.036 0.000 1.930 306 A HA -0.113 4.208 4.320 0.002 0.000 0.217 306 A C 1.823 179.505 177.584 0.164 0.000 1.175 306 A CA 1.261 53.351 52.037 0.089 0.000 0.627 306 A CB -0.942 18.120 19.000 0.105 0.000 0.815 306 A HN 0.717 nan 8.150 nan 0.000 0.443 307 W N 1.448 122.799 121.300 0.085 0.000 2.381 307 W HA -0.166 4.492 4.660 -0.003 0.000 0.301 307 W C 1.781 178.403 176.519 0.171 0.000 1.205 307 W CA 1.806 59.272 57.345 0.201 0.000 1.285 307 W CB -0.158 29.567 29.460 0.442 0.000 1.133 307 W HN 0.348 nan 8.180 nan 0.000 0.521 308 N N 0.648 119.499 118.700 0.251 0.000 2.104 308 N HA -0.215 4.526 4.740 0.002 0.000 0.190 308 N C 1.492 177.004 175.510 0.003 0.000 1.024 308 N CA 2.195 55.314 53.050 0.115 0.000 0.853 308 N CB -0.766 37.794 38.487 0.122 0.000 1.008 308 N HN 0.434 nan 8.380 nan 0.000 0.424 309 E N 0.594 120.797 120.200 0.005 0.000 2.106 309 E HA -0.092 4.259 4.350 0.002 0.000 0.192 309 E C 1.767 178.340 176.600 -0.044 0.000 0.984 309 E CA 0.777 57.172 56.400 -0.007 0.000 0.806 309 E CB 0.003 29.706 29.700 0.006 0.000 0.750 309 E HN 0.365 nan 8.360 nan 0.000 0.458 310 K N 0.183 120.525 120.400 -0.097 0.000 2.097 310 K HA -0.146 4.175 4.320 0.002 0.000 0.206 310 K C 1.889 178.372 176.600 -0.196 0.000 1.049 310 K CA 1.055 57.265 56.287 -0.130 0.000 0.933 310 K CB -0.163 32.221 32.500 -0.193 0.000 0.717 310 K HN 0.067 nan 8.250 nan 0.000 0.442 311 F N 1.260 120.888 119.950 -0.536 0.000 2.206 311 F HA -0.095 4.424 4.527 -0.014 0.000 0.298 311 F C 2.069 177.776 175.800 -0.155 0.000 1.090 311 F CA 1.087 58.780 58.000 -0.512 0.000 1.323 311 F CB -0.216 38.260 39.000 -0.873 0.000 1.028 311 F HN -0.046 nan 8.300 nan 0.000 0.492 312 A N 0.391 123.156 122.820 -0.093 0.000 1.902 312 A HA -0.055 4.266 4.320 0.002 0.000 0.217 312 A C 2.402 179.910 177.584 -0.126 0.000 1.181 312 A CA 1.669 53.654 52.037 -0.086 0.000 0.623 312 A CB -1.513 17.491 19.000 0.006 0.000 0.818 312 A HN 0.462 nan 8.150 nan 0.000 0.443 313 A N -1.505 121.276 122.820 -0.066 0.000 1.933 313 A HA -0.102 4.219 4.320 0.002 0.000 0.218 313 A C 2.123 179.682 177.584 -0.043 0.000 1.175 313 A CA 1.633 53.666 52.037 -0.006 0.000 0.628 313 A CB -0.798 18.253 19.000 0.085 0.000 0.814 313 A HN 0.748 nan 8.150 nan 0.000 0.444 314 Y N 0.682 120.844 120.300 -0.229 0.000 2.145 314 Y HA -0.110 4.438 4.550 -0.004 0.000 0.286 314 Y C 2.577 178.251 175.900 -0.377 0.000 1.145 314 Y CA 1.432 59.318 58.100 -0.355 0.000 1.148 314 Y CB -0.494 37.726 38.460 -0.400 0.000 0.981 314 Y HN 0.291 nan 8.280 nan 0.000 0.507 315 A N 0.351 122.905 122.820 -0.445 0.000 2.019 315 A HA -0.150 4.171 4.320 0.002 0.000 0.219 315 A C 2.210 179.619 177.584 -0.291 0.000 1.164 315 A CA 1.618 53.412 52.037 -0.405 0.000 0.644 315 A CB -0.500 18.292 19.000 -0.346 0.000 0.805 315 A HN 0.506 nan 8.150 nan 0.000 0.449 316 K N -0.588 119.662 120.400 -0.250 0.000 2.103 316 K HA 0.006 4.327 4.320 0.002 0.000 0.204 316 K C 2.190 178.615 176.600 -0.291 0.000 1.052 316 K CA 1.086 57.249 56.287 -0.206 0.000 0.945 316 K CB -0.181 32.235 32.500 -0.139 0.000 0.722 316 K HN 0.450 nan 8.250 nan 0.000 0.443 317 A N 0.003 122.572 122.820 -0.418 0.000 1.984 317 A HA -0.023 4.298 4.320 0.002 0.000 0.214 317 A C 0.235 177.245 177.584 -0.957 0.000 1.173 317 A CA 0.766 52.409 52.037 -0.656 0.000 0.673 317 A CB 0.075 18.638 19.000 -0.728 0.000 0.830 317 A HN 0.244 nan 8.150 nan 0.000 0.453 318 Y N -0.874 119.089 120.300 -0.562 0.000 2.535 318 Y HA 0.302 4.851 4.550 -0.001 0.000 0.351 318 Y C -2.075 173.570 175.900 -0.424 0.000 1.050 318 Y CA -2.174 55.612 58.100 -0.524 0.000 1.168 318 Y CB 1.030 38.996 38.460 -0.822 0.000 1.116 318 Y HN 0.171 nan 8.280 nan 0.000 0.654 319 P HA -0.160 nan 4.420 nan 0.000 0.217 319 P C 1.262 178.553 177.300 -0.015 0.000 1.150 319 P CA 1.437 64.474 63.100 -0.107 0.000 0.832 319 P CB 0.602 32.245 31.700 -0.094 0.000 0.787 320 Q N -0.224 119.582 119.800 0.010 0.000 2.079 320 Q HA -0.169 4.172 4.340 0.002 0.000 0.200 320 Q C 2.153 178.239 176.000 0.144 0.000 0.974 320 Q CA 1.541 57.383 55.803 0.065 0.000 0.840 320 Q CB -0.360 28.411 28.738 0.054 0.000 0.898 320 Q HN 0.234 nan 8.270 nan 0.000 0.430 321 E N 0.134 120.432 120.200 0.163 0.000 2.106 321 E HA -0.144 4.207 4.350 0.002 0.000 0.192 321 E C 1.735 178.628 176.600 0.490 0.000 0.984 321 E CA 1.123 57.738 56.400 0.358 0.000 0.806 321 E CB -0.205 29.685 29.700 0.316 0.000 0.750 321 E HN 0.394 nan 8.360 nan 0.000 0.458 322 A N 0.997 123.984 122.820 0.280 0.000 1.933 322 A HA -0.088 4.233 4.320 0.002 0.000 0.218 322 A C 2.346 180.165 177.584 0.391 0.000 1.175 322 A CA 1.774 54.015 52.037 0.340 0.000 0.628 322 A CB -0.758 18.244 19.000 0.003 0.000 0.814 322 A HN 0.292 nan 8.150 nan 0.000 0.444 323 A N -0.706 122.266 122.820 0.254 0.000 1.898 323 A HA -0.096 4.225 4.320 0.002 0.000 0.216 323 A C 1.980 179.698 177.584 0.225 0.000 1.181 323 A CA 1.542 53.708 52.037 0.214 0.000 0.620 323 A CB -0.360 18.721 19.000 0.135 0.000 0.819 323 A HN 0.424 nan 8.150 nan 0.000 0.442 324 E N -0.944 119.420 120.200 0.274 0.000 2.106 324 E HA -0.145 4.206 4.350 0.002 0.000 0.192 324 E C 1.711 178.452 176.600 0.235 0.000 0.984 324 E CA 0.842 57.404 56.400 0.270 0.000 0.806 324 E CB -0.427 29.503 29.700 0.383 0.000 0.750 324 E HN 0.665 nan 8.360 nan 0.000 0.458 325 F N 1.920 121.896 119.950 0.042 0.000 2.095 325 F HA -0.244 4.283 4.527 0.001 0.000 0.298 325 F C 2.383 178.117 175.800 -0.111 0.000 1.104 325 F CA 1.853 59.657 58.000 -0.326 0.000 1.232 325 F CB -0.375 38.411 39.000 -0.358 0.000 0.987 325 F HN -0.055 nan 8.300 nan 0.000 0.475 326 T N 0.542 115.224 114.554 0.214 0.000 2.708 326 T HA -0.217 4.134 4.350 0.002 0.000 0.266 326 T C 2.122 176.803 174.700 -0.032 0.000 1.037 326 T CA 1.577 63.730 62.100 0.088 0.000 1.146 326 T CB -0.352 68.642 68.868 0.210 0.000 0.865 326 T HN 0.256 nan 8.240 nan 0.000 0.435 327 R N 0.839 121.341 120.500 0.003 0.000 2.073 327 R HA -0.041 4.300 4.340 0.002 0.000 0.234 327 R C 2.538 178.780 176.300 -0.096 0.000 1.134 327 R CA 1.357 57.440 56.100 -0.029 0.000 0.952 327 R CB -0.067 30.236 30.300 0.005 0.000 0.850 327 R HN 0.314 nan 8.270 nan 0.000 0.433 328 R N -0.483 119.935 120.500 -0.137 0.000 2.092 328 R HA -0.029 4.312 4.340 0.002 0.000 0.231 328 R C 2.307 178.444 176.300 -0.272 0.000 1.119 328 R CA 1.323 57.304 56.100 -0.199 0.000 0.970 328 R CB -0.131 30.046 30.300 -0.207 0.000 0.864 328 R HN 0.226 nan 8.270 nan 0.000 0.440 329 M N 0.705 120.074 119.600 -0.385 0.000 2.229 329 M HA -0.095 4.386 4.480 0.002 0.000 0.264 329 M C 1.674 177.846 176.300 -0.215 0.000 1.063 329 M CA 1.531 56.605 55.300 -0.378 0.000 1.114 329 M CB -0.432 31.856 32.600 -0.519 0.000 1.387 329 M HN 0.040 nan 8.290 nan 0.000 0.420 330 K N -0.502 119.802 120.400 -0.161 0.000 2.296 330 K HA 0.083 4.404 4.320 0.002 0.000 0.200 330 K C 1.060 177.607 176.600 -0.089 0.000 1.048 330 K CA 0.800 57.026 56.287 -0.101 0.000 0.966 330 K CB -0.010 32.448 32.500 -0.070 0.000 0.754 330 K HN 0.535 nan 8.250 nan 0.000 0.466 331 G N 2.182 110.921 108.800 -0.101 0.000 2.137 331 G HA2 -0.251 3.710 3.960 0.002 0.000 0.237 331 G HA3 -0.251 3.710 3.960 0.002 0.000 0.237 331 G C -0.383 174.465 174.900 -0.086 0.000 1.002 331 G CA -0.010 45.039 45.100 -0.084 0.000 0.702 331 G HN 0.346 nan 8.290 nan 0.000 0.515 332 E N -0.065 120.084 120.200 -0.085 0.000 2.319 332 E HA 0.530 4.881 4.350 0.002 0.000 0.268 332 E C 0.863 177.397 176.600 -0.110 0.000 1.050 332 E CA -0.771 55.581 56.400 -0.081 0.000 0.878 332 E CB 0.454 30.121 29.700 -0.055 0.000 1.066 332 E HN 0.163 nan 8.360 nan 0.000 0.406 333 M N 1.958 121.485 119.600 -0.122 0.000 2.247 333 M HA 0.290 4.771 4.480 0.002 0.000 0.326 333 M C -2.148 174.095 176.300 -0.094 0.000 1.134 333 M CA -2.809 52.385 55.300 -0.177 0.000 1.136 333 M CB -0.778 31.713 32.600 -0.181 0.000 1.454 333 M HN 0.165 nan 8.290 nan 0.000 0.467 334 P HA 0.077 nan 4.420 nan 0.000 0.269 334 P C 0.538 177.853 177.300 0.025 0.000 1.209 334 P CA 0.022 63.112 63.100 -0.017 0.000 0.776 334 P CB 0.270 31.968 31.700 -0.004 0.000 0.876 335 S N 0.761 116.473 115.700 0.021 0.000 2.442 335 S HA -0.172 4.299 4.470 0.002 0.000 0.236 335 S C 1.022 175.640 174.600 0.029 0.000 1.007 335 S CA 1.351 59.565 58.200 0.023 0.000 0.965 335 S CB -0.782 62.427 63.200 0.015 0.000 0.773 335 S HN 0.568 nan 8.310 nan 0.000 0.504 336 D N -0.316 120.103 120.400 0.032 0.000 2.363 336 D HA 0.101 4.742 4.640 0.002 0.000 0.214 336 D C 1.128 177.424 176.300 -0.006 0.000 1.093 336 D CA -0.502 53.504 54.000 0.009 0.000 0.837 336 D CB -0.763 40.036 40.800 -0.002 0.000 0.948 336 D HN 0.415 nan 8.370 nan 0.000 0.507 337 F N 2.006 121.889 119.950 -0.111 0.000 2.102 337 F HA -0.156 4.372 4.527 0.002 0.000 0.298 337 F C 1.733 177.435 175.800 -0.163 0.000 1.105 337 F CA 1.836 59.732 58.000 -0.174 0.000 1.239 337 F CB -0.174 38.693 39.000 -0.222 0.000 0.991 337 F HN -0.058 nan 8.300 nan 0.000 0.474 338 D N 0.083 120.401 120.400 -0.137 0.000 2.104 338 D HA -0.213 4.428 4.640 0.002 0.000 0.194 338 D C 2.235 178.396 176.300 -0.232 0.000 0.994 338 D CA 1.674 55.554 54.000 -0.199 0.000 0.830 338 D CB -0.369 40.417 40.800 -0.024 0.000 0.959 338 D HN 0.321 nan 8.370 nan 0.000 0.452 339 A N 0.232 122.965 122.820 -0.146 0.000 1.902 339 A HA -0.196 4.125 4.320 0.002 0.000 0.217 339 A C 2.160 179.664 177.584 -0.133 0.000 1.181 339 A CA 1.681 53.654 52.037 -0.106 0.000 0.623 339 A CB -0.529 18.434 19.000 -0.062 0.000 0.818 339 A HN 0.222 nan 8.150 nan 0.000 0.443 340 K N -0.497 119.789 120.400 -0.190 0.000 2.097 340 K HA 0.017 4.338 4.320 0.002 0.000 0.205 340 K C 2.251 178.743 176.600 -0.180 0.000 1.050 340 K CA 0.985 57.173 56.287 -0.165 0.000 0.938 340 K CB -0.256 32.141 32.500 -0.173 0.000 0.718 340 K HN 0.444 nan 8.250 nan 0.000 0.442 341 A N 1.692 124.254 122.820 -0.430 0.000 1.929 341 A HA -0.151 4.170 4.320 0.002 0.000 0.216 341 A C 1.801 179.367 177.584 -0.030 0.000 1.176 341 A CA 1.306 53.163 52.037 -0.299 0.000 0.628 341 A CB -0.183 18.297 19.000 -0.868 0.000 0.816 341 A HN 0.157 nan 8.150 nan 0.000 0.444 342 K N -0.466 119.874 120.400 -0.099 0.000 2.097 342 K HA -0.155 4.166 4.320 0.002 0.000 0.206 342 K C 2.047 178.649 176.600 0.004 0.000 1.049 342 K CA 1.423 57.692 56.287 -0.030 0.000 0.933 342 K CB -0.108 32.365 32.500 -0.045 0.000 0.717 342 K HN 0.660 nan 8.250 nan 0.000 0.442 343 E N 0.257 120.463 120.200 0.010 0.000 2.077 343 E HA -0.199 4.152 4.350 0.002 0.000 0.193 343 E C 1.809 178.460 176.600 0.084 0.000 0.989 343 E CA 0.912 57.331 56.400 0.032 0.000 0.800 343 E CB -0.056 29.659 29.700 0.024 0.000 0.746 343 E HN 0.215 nan 8.360 nan 0.000 0.452 344 F N 1.194 121.129 119.950 -0.027 0.000 2.102 344 F HA -0.150 4.378 4.527 0.002 0.000 0.298 344 F C 1.879 177.676 175.800 -0.006 0.000 1.105 344 F CA 1.302 59.298 58.000 -0.008 0.000 1.239 344 F CB -0.274 38.742 39.000 0.027 0.000 0.991 344 F HN -0.015 nan 8.300 nan 0.000 0.474 345 I N 0.375 120.900 120.570 -0.076 0.000 2.163 345 I HA -0.333 3.838 4.170 0.002 0.000 0.243 345 I C 2.700 178.723 176.117 -0.157 0.000 1.085 345 I CA 1.452 62.651 61.300 -0.169 0.000 1.347 345 I CB -0.936 37.051 38.000 -0.020 0.000 1.044 345 I HN 0.238 nan 8.210 nan 0.000 0.408 346 A N 0.320 123.090 122.820 -0.084 0.000 1.933 346 A HA -0.254 4.067 4.320 0.002 0.000 0.218 346 A C 2.400 179.933 177.584 -0.085 0.000 1.175 346 A CA 1.749 53.745 52.037 -0.069 0.000 0.628 346 A CB -0.537 18.441 19.000 -0.037 0.000 0.814 346 A HN 0.360 nan 8.150 nan 0.000 0.444 347 K N -0.077 120.264 120.400 -0.099 0.000 2.057 347 K HA -0.095 4.226 4.320 0.002 0.000 0.207 347 K C 1.863 178.374 176.600 -0.149 0.000 1.049 347 K CA 1.435 57.664 56.287 -0.097 0.000 0.931 347 K CB -0.321 32.142 32.500 -0.062 0.000 0.714 347 K HN 0.515 nan 8.250 nan 0.000 0.440 348 L N 0.713 121.777 121.223 -0.265 0.000 2.083 348 L HA -0.185 4.156 4.340 0.002 0.000 0.209 348 L C 2.739 179.522 176.870 -0.144 0.000 1.083 348 L CA 1.164 55.853 54.840 -0.252 0.000 0.752 348 L CB -0.464 41.369 42.059 -0.376 0.000 0.899 348 L HN 0.281 nan 8.230 nan 0.000 0.433 349 Q N 0.468 120.195 119.800 -0.122 0.000 2.167 349 Q HA -0.116 4.225 4.340 0.002 0.000 0.202 349 Q C 2.067 178.035 176.000 -0.054 0.000 0.970 349 Q CA 1.796 57.555 55.803 -0.073 0.000 0.855 349 Q CB -0.155 28.547 28.738 -0.060 0.000 0.911 349 Q HN 0.426 nan 8.270 nan 0.000 0.438 350 A N -0.217 122.569 122.820 -0.057 0.000 2.119 350 A HA 0.033 4.354 4.320 0.002 0.000 0.216 350 A C 0.393 177.955 177.584 -0.037 0.000 1.152 350 A CA 0.578 52.592 52.037 -0.039 0.000 0.708 350 A CB 0.056 19.036 19.000 -0.034 0.000 0.805 350 A HN 0.332 nan 8.150 nan 0.000 0.460 351 N N 1.104 119.775 118.700 -0.048 0.000 2.790 351 N HA 0.257 4.998 4.740 0.002 0.000 0.256 351 N C -3.213 172.272 175.510 -0.042 0.000 1.409 351 N CA -0.970 52.056 53.050 -0.039 0.000 0.799 351 N CB 1.168 39.632 38.487 -0.038 0.000 1.170 351 N HN 0.127 nan 8.380 nan 0.000 0.507 352 P HA 0.178 nan 4.420 nan 0.000 0.267 352 P C -0.867 176.417 177.300 -0.026 0.000 1.200 352 P CA -0.098 62.983 63.100 -0.032 0.000 0.772 352 P CB 0.905 32.591 31.700 -0.024 0.000 0.855 353 A N 1.946 124.751 122.820 -0.026 0.000 2.488 353 A HA 0.491 4.812 4.320 0.002 0.000 0.298 353 A C -0.730 176.845 177.584 -0.015 0.000 1.044 353 A CA -0.770 51.256 52.037 -0.018 0.000 0.693 353 A CB 1.219 20.209 19.000 -0.017 0.000 1.272 353 A HN 0.448 nan 8.150 nan 0.000 0.402 354 K N 3.144 123.537 120.400 -0.011 0.000 2.244 354 K HA 0.585 4.906 4.320 0.002 0.000 0.263 354 K C -0.644 175.952 176.600 -0.006 0.000 1.103 354 K CA -0.169 56.111 56.287 -0.011 0.000 0.966 354 K CB -0.272 32.220 32.500 -0.013 0.000 1.429 354 K HN 0.702 nan 8.250 nan 0.000 0.434 355 I N -0.337 120.232 120.570 -0.003 0.000 3.074 355 I HA 0.643 4.814 4.170 0.002 0.000 0.310 355 I C -0.455 175.666 176.117 0.007 0.000 1.153 355 I CA -1.500 59.803 61.300 0.005 0.000 0.993 355 I CB 1.917 39.923 38.000 0.010 0.000 1.237 355 I HN 0.365 nan 8.210 nan 0.000 0.443 356 A N 2.156 124.982 122.820 0.010 0.000 2.425 356 A HA 0.352 4.673 4.320 0.002 0.000 0.242 356 A C 1.228 178.829 177.584 0.027 0.000 1.077 356 A CA 0.244 52.286 52.037 0.009 0.000 0.781 356 A CB 0.203 19.203 19.000 0.001 0.000 1.020 356 A HN 1.005 nan 8.150 nan 0.000 0.494 357 S N 1.169 116.889 115.700 0.033 0.000 2.481 357 S HA -0.176 4.295 4.470 0.002 0.000 0.231 357 S C 1.640 176.292 174.600 0.087 0.000 0.996 357 S CA 0.888 59.124 58.200 0.061 0.000 0.942 357 S CB -0.404 62.837 63.200 0.070 0.000 0.768 357 S HN 0.874 nan 8.310 nan 0.000 0.520 358 R N 1.544 122.093 120.500 0.081 0.000 2.115 358 R HA 0.101 4.442 4.340 0.002 0.000 0.230 358 R C 2.091 178.454 176.300 0.105 0.000 1.111 358 R CA 1.372 57.543 56.100 0.117 0.000 0.976 358 R CB -0.402 29.980 30.300 0.137 0.000 0.870 358 R HN 0.340 nan 8.270 nan 0.000 0.445 359 K N 1.339 121.784 120.400 0.075 0.000 2.103 359 K HA 0.090 4.411 4.320 0.002 0.000 0.204 359 K C 2.037 178.667 176.600 0.050 0.000 1.052 359 K CA 1.375 57.698 56.287 0.060 0.000 0.945 359 K CB -0.266 32.262 32.500 0.046 0.000 0.722 359 K HN 0.271 nan 8.250 nan 0.000 0.443 360 A N -0.147 122.706 122.820 0.055 0.000 1.969 360 A HA -0.118 4.203 4.320 0.002 0.000 0.218 360 A C 2.256 179.877 177.584 0.062 0.000 1.169 360 A CA 1.950 54.019 52.037 0.053 0.000 0.635 360 A CB -0.934 18.099 19.000 0.055 0.000 0.810 360 A HN 0.428 nan 8.150 nan 0.000 0.445 361 S N -0.825 114.942 115.700 0.112 0.000 2.355 361 S HA -0.248 4.223 4.470 0.002 0.000 0.222 361 S C 2.209 176.774 174.600 -0.058 0.000 1.031 361 S CA 1.684 59.989 58.200 0.176 0.000 0.993 361 S CB -0.380 63.016 63.200 0.325 0.000 0.859 361 S HN 0.676 nan 8.310 nan 0.000 0.453 362 Q N 0.421 120.211 119.800 -0.016 0.000 2.135 362 Q HA -0.153 4.188 4.340 0.002 0.000 0.204 362 Q C 1.740 177.658 176.000 -0.137 0.000 0.981 362 Q CA 1.749 57.511 55.803 -0.069 0.000 0.856 362 Q CB -0.211 28.538 28.738 0.019 0.000 0.902 362 Q HN 0.521 nan 8.270 nan 0.000 0.425 363 N N 0.201 118.850 118.700 -0.084 0.000 2.166 363 N HA -0.132 4.609 4.740 0.002 0.000 0.186 363 N C 1.469 176.844 175.510 -0.225 0.000 1.019 363 N CA 1.340 54.353 53.050 -0.062 0.000 0.856 363 N CB -0.400 38.127 38.487 0.068 0.000 0.993 363 N HN 0.345 nan 8.380 nan 0.000 0.426 364 A N 0.963 123.558 122.820 -0.374 0.000 1.930 364 A HA -0.009 4.312 4.320 0.002 0.000 0.217 364 A C 2.286 179.146 177.584 -1.206 0.000 1.175 364 A CA 0.715 52.229 52.037 -0.871 0.000 0.627 364 A CB -0.566 17.871 19.000 -0.938 0.000 0.815 364 A HN 0.208 nan 8.150 nan 0.000 0.443 365 I N -0.583 119.370 120.570 -1.029 0.000 2.286 365 I HA -0.247 3.924 4.170 0.002 0.000 0.248 365 I C 2.518 178.206 176.117 -0.715 0.000 1.115 365 I CA 1.815 62.548 61.300 -0.944 0.000 1.392 365 I CB -0.265 37.263 38.000 -0.786 0.000 1.065 365 I HN 0.390 nan 8.210 nan 0.000 0.418 366 E N 1.362 121.288 120.200 -0.455 0.000 2.106 366 E HA -0.175 4.176 4.350 0.002 0.000 0.192 366 E C 2.085 178.473 176.600 -0.353 0.000 0.984 366 E CA 1.580 57.840 56.400 -0.232 0.000 0.806 366 E CB -0.080 29.596 29.700 -0.039 0.000 0.750 366 E HN 0.429 nan 8.360 nan 0.000 0.458 367 A N -0.443 122.043 122.820 -0.558 0.000 1.930 367 A HA -0.025 4.296 4.320 0.002 0.000 0.215 367 A C 1.719 179.127 177.584 -0.293 0.000 1.176 367 A CA 0.971 52.653 52.037 -0.592 0.000 0.632 367 A CB -0.491 17.681 19.000 -1.381 0.000 0.819 367 A HN 0.316 nan 8.150 nan 0.000 0.445 368 F N 0.255 119.915 119.950 -0.483 0.000 2.569 368 F HA 0.151 4.679 4.527 0.002 0.000 0.295 368 F C 2.513 178.065 175.800 -0.414 0.000 1.115 368 F CA -0.123 57.696 58.000 -0.302 0.000 1.450 368 F CB -1.488 37.422 39.000 -0.150 0.000 1.107 368 F HN 0.251 nan 8.300 nan 0.000 0.563 369 G N 1.864 110.375 108.800 -0.482 0.000 2.529 369 G HA2 -0.255 3.706 3.960 0.002 0.000 0.219 369 G HA3 -0.255 3.706 3.960 0.002 0.000 0.219 369 G C -0.621 173.977 174.900 -0.503 0.000 1.177 369 G CA 0.835 45.342 45.100 -0.988 0.000 0.773 369 G HN 0.233 nan 8.290 nan 0.000 0.573 370 P HA 0.068 nan 4.420 nan 0.000 0.226 370 P C 1.713 179.008 177.300 -0.008 0.000 1.153 370 P CA 0.619 63.736 63.100 0.028 0.000 0.777 370 P CB -0.005 31.732 31.700 0.062 0.000 0.794 371 L N -2.214 118.969 121.223 -0.066 0.000 2.416 371 L HA 0.113 4.454 4.340 0.002 0.000 0.216 371 L C 0.908 177.704 176.870 -0.124 0.000 1.098 371 L CA 0.428 55.244 54.840 -0.041 0.000 0.840 371 L CB -0.129 41.957 42.059 0.045 0.000 0.981 371 L HN -0.092 nan 8.230 nan 0.000 0.462 372 L N 1.854 122.922 121.223 -0.259 0.000 2.445 372 L HA 0.259 4.600 4.340 0.002 0.000 0.252 372 L C -1.522 175.201 176.870 -0.245 0.000 1.105 372 L CA -1.189 53.412 54.840 -0.399 0.000 0.943 372 L CB 1.148 42.667 42.059 -0.900 0.000 1.277 372 L HN -0.171 nan 8.230 nan 0.000 0.465 373 P HA -0.190 nan 4.420 nan 0.000 0.225 373 P C 0.937 178.322 177.300 0.141 0.000 1.148 373 P CA 1.038 64.194 63.100 0.093 0.000 0.779 373 P CB 0.229 31.981 31.700 0.086 0.000 0.780 374 E N -1.077 119.158 120.200 0.058 0.000 2.418 374 E HA -0.093 4.258 4.350 0.002 0.000 0.197 374 E C 0.349 177.164 176.600 0.358 0.000 1.026 374 E CA -0.026 56.452 56.400 0.131 0.000 0.862 374 E CB -0.668 29.031 29.700 -0.002 0.000 0.799 374 E HN 0.112 nan 8.360 nan 0.000 0.518 375 F N 1.673 121.769 119.950 0.244 0.000 2.629 375 F HA 0.065 4.593 4.527 0.002 0.000 0.377 375 F C 0.580 176.532 175.800 0.254 0.000 1.101 375 F CA -0.426 57.746 58.000 0.286 0.000 1.301 375 F CB 0.423 39.625 39.000 0.337 0.000 1.062 375 F HN -0.004 nan 8.300 nan 0.000 0.583 376 L N 4.525 125.930 121.223 0.303 0.000 2.490 376 L HA 0.597 4.938 4.340 0.002 0.000 0.256 376 L C -0.213 176.454 176.870 -0.339 0.000 1.089 376 L CA -0.045 54.776 54.840 -0.032 0.000 0.916 376 L CB 0.720 42.653 42.059 -0.210 0.000 1.188 376 L HN 0.534 nan 8.230 nan 0.000 0.476 377 G N 1.093 109.489 108.800 -0.675 0.000 2.601 377 G HA2 0.853 4.814 3.960 0.002 0.000 0.317 377 G HA3 0.853 4.814 3.960 0.002 0.000 0.317 377 G C -0.581 173.683 174.900 -1.059 0.000 1.246 377 G CA -0.313 43.910 45.100 -1.462 0.000 1.012 377 G HN 0.938 nan 8.290 nan 0.000 0.494 378 G N -1.870 106.468 108.800 -0.769 0.000 2.356 378 G HA2 0.574 4.535 3.960 0.002 0.000 0.294 378 G HA3 0.574 4.535 3.960 0.002 0.000 0.294 378 G C -1.389 173.481 174.900 -0.050 0.000 1.423 378 G CA 0.463 45.139 45.100 -0.706 0.000 0.806 378 G HN 1.347 nan 8.290 nan 0.000 0.527 379 S N -1.453 114.294 115.700 0.078 0.000 2.564 379 S HA 0.716 5.187 4.470 0.002 0.000 0.274 379 S C -0.066 174.638 174.600 0.174 0.000 1.124 379 S CA 0.386 58.685 58.200 0.165 0.000 0.869 379 S CB 1.601 64.932 63.200 0.218 0.000 1.105 379 S HN 2.077 nan 8.310 nan 0.000 0.472 380 A N 2.924 125.791 122.820 0.079 0.000 3.056 380 A HA 0.479 4.800 4.320 0.002 0.000 0.274 380 A C 0.468 178.053 177.584 0.000 0.000 1.661 380 A CA 0.333 52.395 52.037 0.041 0.000 1.363 380 A CB -1.470 17.509 19.000 -0.036 0.000 1.139 380 A HN 1.181 nan 8.150 nan 0.000 0.598 381 D N -0.322 120.119 120.400 0.068 0.000 2.870 381 D HA -0.166 4.475 4.640 0.002 0.000 0.228 381 D C -0.053 176.244 176.300 -0.005 0.000 1.147 381 D CA 1.386 55.414 54.000 0.045 0.000 0.757 381 D CB -1.442 39.353 40.800 -0.008 0.000 1.091 381 D HN 0.511 nan 8.370 nan 0.000 0.429 382 L N -1.223 120.002 121.223 0.004 0.000 3.347 382 L HA 0.531 4.872 4.340 0.002 0.000 0.306 382 L C 2.006 178.921 176.870 0.074 0.000 1.301 382 L CA 0.195 55.007 54.840 -0.047 0.000 0.985 382 L CB 0.139 42.042 42.059 -0.260 0.000 1.400 382 L HN 0.147 nan 8.230 nan 0.000 0.601 383 A N 1.473 124.380 122.820 0.145 0.000 1.917 383 A HA -0.090 4.231 4.320 0.002 0.000 0.219 383 A C -0.311 177.356 177.584 0.138 0.000 1.182 383 A CA 1.819 53.963 52.037 0.179 0.000 0.633 383 A CB -1.291 17.823 19.000 0.190 0.000 0.819 383 A HN 0.326 nan 8.150 nan 0.000 0.448 384 P HA 0.058 nan 4.420 nan 0.000 0.231 384 P C 1.079 178.470 177.300 0.151 0.000 1.168 384 P CA 1.310 64.477 63.100 0.111 0.000 0.779 384 P CB 0.311 32.065 31.700 0.089 0.000 0.844 385 S N -0.342 115.467 115.700 0.181 0.000 2.502 385 S HA 0.069 4.540 4.470 0.002 0.000 0.228 385 S C 1.656 176.469 174.600 0.355 0.000 1.061 385 S CA 0.372 58.747 58.200 0.292 0.000 0.935 385 S CB -0.612 62.790 63.200 0.337 0.000 0.809 385 S HN 0.253 nan 8.310 nan 0.000 0.510 386 N N 1.364 120.223 118.700 0.265 0.000 2.409 386 N HA 0.215 4.956 4.740 0.002 0.000 0.179 386 N C -0.402 175.249 175.510 0.235 0.000 1.032 386 N CA 0.276 53.493 53.050 0.279 0.000 0.898 386 N CB -0.132 38.492 38.487 0.227 0.000 0.971 386 N HN 0.129 nan 8.380 nan 0.000 0.441 387 L N 0.514 121.856 121.223 0.198 0.000 3.472 387 L HA -0.192 4.149 4.340 0.002 0.000 0.485 387 L C 0.453 177.419 176.870 0.161 0.000 1.312 387 L CA 0.112 55.046 54.840 0.156 0.000 0.869 387 L CB -2.337 39.803 42.059 0.136 0.000 1.687 387 L HN 0.361 nan 8.230 nan 0.000 0.853 388 T N -4.037 110.647 114.554 0.217 0.000 3.060 388 T HA 0.379 4.730 4.350 0.002 0.000 0.249 388 T C 0.645 175.550 174.700 0.341 0.000 1.079 388 T CA -0.175 62.125 62.100 0.333 0.000 1.013 388 T CB 0.274 69.460 68.868 0.531 0.000 0.975 388 T HN 0.296 nan 8.240 nan 0.000 0.518 389 L N 3.039 124.334 121.223 0.121 0.000 2.350 389 L HA 0.522 4.863 4.340 0.002 0.000 0.275 389 L C 0.217 177.161 176.870 0.124 0.000 1.099 389 L CA -1.200 53.617 54.840 -0.038 0.000 0.808 389 L CB 0.680 42.600 42.059 -0.231 0.000 1.149 389 L HN 0.433 nan 8.230 nan 0.000 0.442 390 W N 0.814 122.076 121.300 -0.063 0.000 2.958 390 W HA 0.402 5.062 4.660 0.001 0.000 0.339 390 W C 0.892 177.386 176.519 -0.042 0.000 1.174 390 W CA -0.582 56.734 57.345 -0.049 0.000 1.064 390 W CB 0.660 30.096 29.460 -0.041 0.000 1.471 390 W HN 0.629 nan 8.180 nan 0.000 0.599 391 S N -0.062 115.613 115.700 -0.043 0.000 2.419 391 S HA -0.062 4.409 4.470 0.002 0.000 0.233 391 S C 1.553 175.773 174.600 -0.634 0.000 1.016 391 S CA 1.468 59.527 58.200 -0.236 0.000 0.974 391 S CB -0.932 62.247 63.200 -0.034 0.000 0.786 391 S HN 0.807 nan 8.310 nan 0.000 0.492 392 G N 0.632 108.498 108.800 -1.558 0.000 3.284 392 G HA2 0.341 4.302 3.960 0.002 0.000 0.236 392 G HA3 0.341 4.302 3.960 0.002 0.000 0.236 392 G C 0.008 174.149 174.900 -1.265 0.000 1.158 392 G CA -0.435 43.768 45.100 -1.494 0.000 0.774 392 G HN 0.441 nan 8.290 nan 0.000 0.545 393 S N 0.582 115.558 115.700 -1.206 0.000 2.533 393 S HA 0.317 4.788 4.470 0.002 0.000 0.282 393 S C 0.004 174.410 174.600 -0.323 0.000 1.304 393 S CA 0.319 58.179 58.200 -0.567 0.000 1.063 393 S CB 0.882 63.788 63.200 -0.489 0.000 0.881 393 S HN 0.358 nan 8.310 nan 0.000 0.493 394 K N 1.969 122.285 120.400 -0.140 0.000 2.545 394 K HA 0.521 4.842 4.320 0.002 0.000 0.252 394 K C -0.601 175.995 176.600 -0.007 0.000 0.948 394 K CA -0.442 55.793 56.287 -0.086 0.000 0.827 394 K CB 1.833 34.292 32.500 -0.067 0.000 1.128 394 K HN 0.612 nan 8.250 nan 0.000 0.429 395 A N 2.906 125.733 122.820 0.011 0.000 2.425 395 A HA 0.186 4.507 4.320 0.002 0.000 0.249 395 A C 1.153 178.747 177.584 0.017 0.000 1.084 395 A CA -0.396 51.684 52.037 0.072 0.000 0.781 395 A CB -0.380 18.732 19.000 0.186 0.000 1.019 395 A HN 1.017 nan 8.150 nan 0.000 0.490 396 I N 0.525 121.075 120.570 -0.034 0.000 3.111 396 I HA -0.101 4.070 4.170 0.002 0.000 0.272 396 I C 1.469 177.551 176.117 -0.058 0.000 1.268 396 I CA 1.235 62.495 61.300 -0.067 0.000 1.467 396 I CB -0.425 37.499 38.000 -0.128 0.000 1.087 396 I HN 0.722 nan 8.210 nan 0.000 0.467 397 N N 1.669 120.352 118.700 -0.029 0.000 2.457 397 N HA -0.161 4.580 4.740 0.002 0.000 0.180 397 N C 1.244 176.741 175.510 -0.022 0.000 1.050 397 N CA 0.976 54.008 53.050 -0.030 0.000 0.906 397 N CB -0.177 38.302 38.487 -0.014 0.000 0.968 397 N HN 0.624 nan 8.380 nan 0.000 0.445 398 E N -0.270 119.925 120.200 -0.009 0.000 2.201 398 E HA 0.031 4.382 4.350 0.002 0.000 0.193 398 E C -0.476 176.110 176.600 -0.025 0.000 0.957 398 E CA 0.362 56.752 56.400 -0.016 0.000 0.858 398 E CB 0.354 30.049 29.700 -0.009 0.000 0.816 398 E HN 0.187 nan 8.360 nan 0.000 0.475 399 D N -0.771 119.614 120.400 -0.026 0.000 2.575 399 D HA 0.259 4.900 4.640 0.002 0.000 0.250 399 D C 0.030 176.310 176.300 -0.033 0.000 1.279 399 D CA -0.362 53.621 54.000 -0.029 0.000 0.925 399 D CB 1.543 42.327 40.800 -0.027 0.000 1.261 399 D HN -0.005 nan 8.370 nan 0.000 0.567 400 A N 3.118 125.916 122.820 -0.037 0.000 2.070 400 A HA 0.115 4.436 4.320 0.002 0.000 0.220 400 A C 1.720 179.289 177.584 -0.025 0.000 1.159 400 A CA 1.502 53.513 52.037 -0.043 0.000 0.656 400 A CB -0.181 18.790 19.000 -0.048 0.000 0.800 400 A HN 0.589 nan 8.150 nan 0.000 0.453 401 A N -0.365 122.447 122.820 -0.014 0.000 2.302 401 A HA 0.496 4.817 4.320 0.002 0.000 0.219 401 A C 1.297 178.894 177.584 0.021 0.000 1.243 401 A CA 0.548 52.588 52.037 0.005 0.000 0.856 401 A CB -0.867 18.123 19.000 -0.016 0.000 0.893 401 A HN 0.601 nan 8.150 nan 0.000 0.491 402 G N 0.321 109.125 108.800 0.007 0.000 2.516 402 G HA2 0.328 4.289 3.960 0.002 0.000 0.276 402 G HA3 0.328 4.289 3.960 0.002 0.000 0.276 402 G C 0.231 175.164 174.900 0.055 0.000 1.390 402 G CA 0.221 45.333 45.100 0.020 0.000 1.050 402 G HN 0.586 nan 8.290 nan 0.000 0.519 403 N N -2.881 115.865 118.700 0.078 0.000 2.286 403 N HA 0.142 4.883 4.740 0.002 0.000 0.245 403 N C -1.046 174.524 175.510 0.099 0.000 1.363 403 N CA -0.532 52.596 53.050 0.131 0.000 0.822 403 N CB 0.052 38.715 38.487 0.293 0.000 1.345 403 N HN 0.455 nan 8.380 nan 0.000 0.494 404 Y N 0.463 120.682 120.300 -0.135 0.000 2.504 404 Y HA 0.660 5.211 4.550 0.002 0.000 0.344 404 Y C -1.607 174.096 175.900 -0.328 0.000 1.023 404 Y CA -1.137 56.825 58.100 -0.230 0.000 1.020 404 Y CB 1.620 39.954 38.460 -0.210 0.000 1.282 404 Y HN -0.006 nan 8.280 nan 0.000 0.454 405 I N 5.571 125.531 120.570 -1.017 0.000 2.447 405 I HA 0.239 4.410 4.170 0.002 0.000 0.287 405 I C -0.848 174.738 176.117 -0.886 0.000 1.023 405 I CA -0.869 59.918 61.300 -0.854 0.000 1.083 405 I CB 1.334 38.639 38.000 -1.159 0.000 1.245 405 I HN 0.580 nan 8.210 nan 0.000 0.434 406 H N 6.912 125.799 119.070 -0.306 0.000 3.157 406 H HA 0.079 4.636 4.556 0.002 0.000 0.260 406 H C -0.060 175.157 175.328 -0.186 0.000 1.232 406 H CA 0.363 56.348 56.048 -0.104 0.000 1.488 406 H CB 0.392 30.156 29.762 0.003 0.000 1.548 406 H HN 0.554 nan 8.280 nan 0.000 0.487 407 Y N 1.770 122.055 120.300 -0.026 0.000 2.561 407 Y HA 0.027 4.578 4.550 0.001 0.000 0.291 407 Y C 1.907 177.785 175.900 -0.037 0.000 1.141 407 Y CA 0.859 58.923 58.100 -0.059 0.000 1.303 407 Y CB 0.371 38.778 38.460 -0.089 0.000 1.015 407 Y HN 0.941 nan 8.280 nan 0.000 0.547 408 G N -0.218 108.662 108.800 0.132 0.000 2.741 408 G HA2 -0.239 3.722 3.960 0.002 0.000 0.222 408 G HA3 -0.239 3.722 3.960 0.002 0.000 0.222 408 G C -0.693 174.225 174.900 0.030 0.000 1.364 408 G CA -0.504 44.629 45.100 0.055 0.000 0.866 408 G HN -0.013 nan 8.290 nan 0.000 0.555 409 V N 1.461 121.367 119.914 -0.014 0.000 2.096 409 V HA 0.467 4.588 4.120 0.002 0.000 0.259 409 V C 0.922 176.989 176.094 -0.044 0.000 1.420 409 V CA 0.626 62.889 62.300 -0.062 0.000 1.336 409 V CB -0.468 31.303 31.823 -0.087 0.000 1.394 409 V HN 0.551 nan 8.190 nan 0.000 0.494 410 R N 1.851 122.338 120.500 -0.023 0.000 2.687 410 R HA 0.285 4.626 4.340 0.002 0.000 0.264 410 R C 0.311 176.616 176.300 0.008 0.000 1.715 410 R CA -0.314 55.791 56.100 0.008 0.000 1.633 410 R CB 1.015 31.314 30.300 -0.001 0.000 1.353 410 R HN 0.428 nan 8.270 nan 0.000 0.653 411 E N 0.545 120.765 120.200 0.033 0.000 2.072 411 E HA -0.154 4.197 4.350 0.002 0.000 0.191 411 E C 1.104 177.789 176.600 0.141 0.000 0.985 411 E CA 1.130 57.559 56.400 0.048 0.000 0.801 411 E CB 0.008 29.749 29.700 0.068 0.000 0.750 411 E HN 0.313 nan 8.360 nan 0.000 0.452 412 F N 0.789 120.757 119.950 0.030 0.000 2.163 412 F HA 0.076 4.604 4.527 0.002 0.000 0.297 412 F C 2.114 177.898 175.800 -0.026 0.000 1.094 412 F CA 1.455 59.466 58.000 0.019 0.000 1.290 412 F CB -0.840 38.185 39.000 0.042 0.000 1.017 412 F HN 0.039 nan 8.300 nan 0.000 0.483 413 G N 0.351 109.167 108.800 0.027 0.000 2.408 413 G HA2 -0.279 3.682 3.960 0.002 0.000 0.217 413 G HA3 -0.279 3.682 3.960 0.002 0.000 0.217 413 G C 1.790 176.622 174.900 -0.113 0.000 1.150 413 G CA 0.753 45.784 45.100 -0.116 0.000 0.776 413 G HN 0.437 nan 8.290 nan 0.000 0.542 414 M N 0.746 120.234 119.600 -0.186 0.000 2.080 414 M HA -0.106 4.375 4.480 0.002 0.000 0.260 414 M C 2.456 178.510 176.300 -0.410 0.000 1.068 414 M CA 2.185 57.130 55.300 -0.591 0.000 1.109 414 M CB -0.396 31.730 32.600 -0.789 0.000 1.342 414 M HN 0.170 nan 8.290 nan 0.000 0.405 415 T N 0.766 115.228 114.554 -0.153 0.000 2.812 415 T HA 0.041 4.392 4.350 0.002 0.000 0.264 415 T C 1.781 176.485 174.700 0.006 0.000 1.042 415 T CA 1.405 63.485 62.100 -0.034 0.000 1.140 415 T CB -0.398 68.529 68.868 0.099 0.000 0.870 415 T HN 0.597 nan 8.240 nan 0.000 0.445 416 A N 0.628 123.457 122.820 0.016 0.000 2.067 416 A HA 0.178 4.499 4.320 0.002 0.000 0.217 416 A C 2.202 179.773 177.584 -0.022 0.000 1.156 416 A CA 0.572 52.608 52.037 -0.002 0.000 0.683 416 A CB -0.615 18.338 19.000 -0.078 0.000 0.808 416 A HN 0.489 nan 8.150 nan 0.000 0.455 417 I N -0.254 120.293 120.570 -0.037 0.000 2.202 417 I HA -0.255 3.916 4.170 0.002 0.000 0.242 417 I C 2.933 179.058 176.117 0.014 0.000 1.091 417 I CA 1.060 62.361 61.300 0.002 0.000 1.368 417 I CB -0.228 37.811 38.000 0.065 0.000 1.058 417 I HN 0.344 nan 8.210 nan 0.000 0.410 418 A N 0.796 123.611 122.820 -0.008 0.000 1.972 418 A HA -0.214 4.107 4.320 0.002 0.000 0.219 418 A C 1.999 179.603 177.584 0.032 0.000 1.169 418 A CA 1.793 53.837 52.037 0.011 0.000 0.635 418 A CB -0.655 18.332 19.000 -0.022 0.000 0.810 418 A HN 0.411 nan 8.150 nan 0.000 0.446 419 N N 0.337 119.057 118.700 0.033 0.000 2.149 419 N HA -0.123 4.618 4.740 0.002 0.000 0.188 419 N C 1.795 177.338 175.510 0.056 0.000 1.019 419 N CA 1.548 54.627 53.050 0.049 0.000 0.857 419 N CB -0.787 37.730 38.487 0.050 0.000 0.997 419 N HN 0.484 nan 8.380 nan 0.000 0.426 420 G N 0.802 109.629 108.800 0.045 0.000 2.408 420 G HA2 -0.116 3.845 3.960 0.002 0.000 0.217 420 G HA3 -0.116 3.845 3.960 0.002 0.000 0.217 420 G C 1.665 176.614 174.900 0.082 0.000 1.150 420 G CA 0.242 45.376 45.100 0.057 0.000 0.776 420 G HN 0.261 nan 8.290 nan 0.000 0.542 421 I N 1.026 121.630 120.570 0.056 0.000 2.226 421 I HA -0.172 3.999 4.170 0.002 0.000 0.245 421 I C 3.004 179.220 176.117 0.165 0.000 1.100 421 I CA 1.050 62.393 61.300 0.071 0.000 1.374 421 I CB -0.197 37.794 38.000 -0.016 0.000 1.057 421 I HN 0.088 nan 8.210 nan 0.000 0.413 422 S N 0.924 116.700 115.700 0.127 0.000 2.356 422 S HA -0.135 4.336 4.470 0.002 0.000 0.223 422 S C 1.999 176.670 174.600 0.118 0.000 1.032 422 S CA 1.306 59.582 58.200 0.128 0.000 1.005 422 S CB -0.399 62.857 63.200 0.093 0.000 0.867 422 S HN 0.327 nan 8.310 nan 0.000 0.449 423 L N 0.745 122.031 121.223 0.105 0.000 2.131 423 L HA -0.146 4.195 4.340 0.002 0.000 0.210 423 L C 2.583 179.507 176.870 0.089 0.000 1.092 423 L CA 1.273 56.162 54.840 0.082 0.000 0.759 423 L CB -0.589 41.513 42.059 0.072 0.000 0.903 423 L HN 0.471 nan 8.230 nan 0.000 0.435 424 H N 0.509 119.609 119.070 0.050 0.000 2.357 424 H HA -0.004 4.553 4.556 0.002 0.000 0.301 424 H C 0.793 176.129 175.328 0.013 0.000 1.082 424 H CA 1.193 57.269 56.048 0.045 0.000 1.342 424 H CB 0.291 30.118 29.762 0.108 0.000 1.389 424 H HN 0.295 nan 8.280 nan 0.000 0.511 425 G N -2.156 106.753 108.800 0.182 0.000 2.697 425 G HA2 0.171 4.132 3.960 0.002 0.000 0.686 425 G HA3 0.171 4.132 3.960 0.002 0.000 0.686 425 G C 0.620 175.569 174.900 0.081 0.000 1.179 425 G CA 0.192 45.316 45.100 0.040 0.000 0.765 425 G HN 0.985 nan 8.290 nan 0.000 0.649 426 G N -0.976 107.739 108.800 -0.142 0.000 2.218 426 G HA2 0.103 4.064 3.960 0.002 0.000 0.216 426 G HA3 0.103 4.064 3.960 0.002 0.000 0.216 426 G C 0.249 174.779 174.900 -0.617 0.000 0.994 426 G CA 0.749 45.590 45.100 -0.432 0.000 0.637 426 G HN 1.667 nan 8.290 nan 0.000 0.505 427 F N -0.851 119.132 119.950 0.055 0.000 2.650 427 F HA 0.787 5.316 4.527 0.003 0.000 0.320 427 F C -0.048 175.803 175.800 0.085 0.000 1.091 427 F CA -1.041 57.006 58.000 0.080 0.000 0.962 427 F CB 1.968 41.016 39.000 0.079 0.000 1.363 427 F HN 0.043 nan 8.300 nan 0.000 0.482 428 L N 4.680 126.118 121.223 0.358 0.000 2.388 428 L HA 0.528 4.869 4.340 0.002 0.000 0.267 428 L C -2.715 174.377 176.870 0.370 0.000 0.995 428 L CA -1.847 53.173 54.840 0.300 0.000 0.864 428 L CB 1.613 43.838 42.059 0.277 0.000 1.216 428 L HN 0.235 nan 8.230 nan 0.000 0.430 429 P HA 0.248 nan 4.420 nan 0.000 0.282 429 P C -1.821 175.597 177.300 0.197 0.000 1.249 429 P CA -0.059 63.132 63.100 0.152 0.000 0.806 429 P CB 0.992 32.742 31.700 0.082 0.000 0.984 430 Y N -0.990 119.358 120.300 0.081 0.000 2.462 430 Y HA 0.793 5.344 4.550 0.002 0.000 0.346 430 Y C -0.285 175.611 175.900 -0.006 0.000 0.976 430 Y CA -1.028 57.090 58.100 0.029 0.000 1.044 430 Y CB 1.304 39.811 38.460 0.079 0.000 1.230 430 Y HN 0.472 nan 8.280 nan 0.000 0.455 431 T N -0.509 114.115 114.554 0.118 0.000 2.887 431 T HA 0.812 5.163 4.350 0.002 0.000 0.292 431 T C -0.836 173.886 174.700 0.035 0.000 1.087 431 T CA -0.896 61.208 62.100 0.007 0.000 1.009 431 T CB 1.722 70.521 68.868 -0.116 0.000 1.203 431 T HN 0.906 nan 8.240 nan 0.000 0.518 432 S N -0.468 115.262 115.700 0.049 0.000 2.543 432 S HA 0.746 5.217 4.470 0.002 0.000 0.274 432 S C -1.178 173.503 174.600 0.134 0.000 1.149 432 S CA -0.228 58.030 58.200 0.096 0.000 0.866 432 S CB 1.719 65.024 63.200 0.175 0.000 1.111 432 S HN 1.321 nan 8.310 nan 0.000 0.457 433 T N 1.915 116.608 114.554 0.231 0.000 2.677 433 T HA 0.585 4.936 4.350 0.002 0.000 0.305 433 T C -1.649 173.228 174.700 0.295 0.000 1.569 433 T CA -0.511 61.680 62.100 0.150 0.000 0.984 433 T CB -0.017 68.936 68.868 0.141 0.000 1.629 433 T HN 0.353 nan 8.240 nan 0.000 0.494 434 F N 2.235 122.272 119.950 0.145 0.000 2.553 434 F HA 0.288 4.816 4.527 0.002 0.000 0.356 434 F C 1.582 177.335 175.800 -0.078 0.000 1.142 434 F CA -1.024 56.984 58.000 0.013 0.000 1.322 434 F CB 0.084 38.988 39.000 -0.159 0.000 1.126 434 F HN 0.480 nan 8.300 nan 0.000 0.599 435 L N 2.850 124.150 121.223 0.128 0.000 2.079 435 L HA -0.238 4.103 4.340 0.002 0.000 0.210 435 L C 2.171 178.860 176.870 -0.302 0.000 1.081 435 L CA 1.655 56.421 54.840 -0.124 0.000 0.752 435 L CB -0.879 41.159 42.059 -0.036 0.000 0.896 435 L HN 0.730 nan 8.230 nan 0.000 0.433 436 M N -0.812 118.549 119.600 -0.400 0.000 2.149 436 M HA -0.195 4.286 4.480 0.002 0.000 0.261 436 M C 1.419 177.426 176.300 -0.488 0.000 1.064 436 M CA 1.744 56.717 55.300 -0.544 0.000 1.102 436 M CB -0.621 31.438 32.600 -0.903 0.000 1.369 436 M HN 0.233 nan 8.290 nan 0.000 0.408 437 F N -1.153 118.726 119.950 -0.120 0.000 2.769 437 F HA 0.149 4.676 4.527 0.001 0.000 0.304 437 F C 2.058 177.781 175.800 -0.128 0.000 1.158 437 F CA -0.035 57.868 58.000 -0.162 0.000 1.398 437 F CB -1.786 37.021 39.000 -0.322 0.000 1.094 437 F HN 0.007 nan 8.300 nan 0.000 0.553 438 V N 0.228 120.040 119.914 -0.170 0.000 2.594 438 V HA -0.218 3.903 4.120 0.002 0.000 0.253 438 V C 1.964 178.007 176.094 -0.086 0.000 1.069 438 V CA 1.979 64.114 62.300 -0.275 0.000 1.082 438 V CB -0.153 31.300 31.823 -0.617 0.000 0.680 438 V HN 0.352 nan 8.190 nan 0.000 0.469 439 E N -1.123 119.078 120.200 0.002 0.000 2.204 439 E HA -0.194 4.157 4.350 0.002 0.000 0.194 439 E C 1.963 178.606 176.600 0.071 0.000 0.989 439 E CA 1.226 57.645 56.400 0.032 0.000 0.824 439 E CB -0.141 29.600 29.700 0.068 0.000 0.756 439 E HN 0.730 nan 8.360 nan 0.000 0.477 440 Y N 0.306 120.578 120.300 -0.047 0.000 2.314 440 Y HA -0.031 4.520 4.550 0.001 0.000 0.293 440 Y C 2.073 177.818 175.900 -0.257 0.000 1.129 440 Y CA 0.916 58.960 58.100 -0.094 0.000 1.201 440 Y CB 0.012 38.466 38.460 -0.010 0.000 0.999 440 Y HN -0.019 nan 8.280 nan 0.000 0.541 441 A N -1.140 121.661 122.820 -0.031 0.000 2.465 441 A HA 0.210 4.531 4.320 0.002 0.000 0.255 441 A C 1.906 179.361 177.584 -0.214 0.000 1.274 441 A CA -0.099 51.862 52.037 -0.127 0.000 0.920 441 A CB -0.307 18.757 19.000 0.107 0.000 1.033 441 A HN 0.181 nan 8.150 nan 0.000 0.516 442 R N 1.365 121.718 120.500 -0.245 0.000 2.113 442 R HA -0.174 4.167 4.340 0.002 0.000 0.244 442 R C 1.855 178.080 176.300 -0.124 0.000 1.142 442 R CA 2.318 58.326 56.100 -0.153 0.000 0.953 442 R CB -0.609 29.602 30.300 -0.148 0.000 0.860 442 R HN 0.662 nan 8.270 nan 0.000 0.438 443 N N -0.684 117.888 118.700 -0.213 0.000 2.331 443 N HA -0.096 4.645 4.740 0.002 0.000 0.180 443 N C 1.313 176.884 175.510 0.100 0.000 1.019 443 N CA 0.995 54.021 53.050 -0.040 0.000 0.881 443 N CB 0.040 38.522 38.487 -0.008 0.000 0.972 443 N HN 0.355 nan 8.380 nan 0.000 0.435 444 A N 0.578 123.518 122.820 0.200 0.000 1.930 444 A HA -0.050 4.271 4.320 0.002 0.000 0.217 444 A C 2.377 180.048 177.584 0.144 0.000 1.175 444 A CA 0.930 53.122 52.037 0.259 0.000 0.627 444 A CB -0.586 18.642 19.000 0.380 0.000 0.815 444 A HN 0.160 nan 8.150 nan 0.000 0.443 445 V N -0.026 119.954 119.914 0.109 0.000 2.343 445 V HA -0.243 3.878 4.120 0.002 0.000 0.247 445 V C 2.630 178.773 176.094 0.081 0.000 1.051 445 V CA 2.235 64.596 62.300 0.102 0.000 1.036 445 V CB -0.770 31.113 31.823 0.100 0.000 0.654 445 V HN 0.657 nan 8.190 nan 0.000 0.451 446 R N -0.584 119.952 120.500 0.060 0.000 2.096 446 R HA -0.156 4.185 4.340 0.002 0.000 0.235 446 R C 2.272 178.610 176.300 0.063 0.000 1.127 446 R CA 1.546 57.677 56.100 0.052 0.000 0.968 446 R CB -0.150 30.171 30.300 0.035 0.000 0.861 446 R HN 0.313 nan 8.270 nan 0.000 0.440 447 M N -0.102 119.543 119.600 0.076 0.000 2.229 447 M HA -0.035 4.446 4.480 0.002 0.000 0.264 447 M C 2.322 178.665 176.300 0.072 0.000 1.063 447 M CA 1.298 56.643 55.300 0.075 0.000 1.114 447 M CB -0.844 31.808 32.600 0.086 0.000 1.387 447 M HN 0.255 nan 8.290 nan 0.000 0.420 448 A N 0.419 123.286 122.820 0.077 0.000 1.902 448 A HA -0.027 4.294 4.320 0.002 0.000 0.217 448 A C 2.444 180.069 177.584 0.069 0.000 1.181 448 A CA 2.114 54.194 52.037 0.072 0.000 0.623 448 A CB -0.852 18.194 19.000 0.076 0.000 0.818 448 A HN 0.461 nan 8.150 nan 0.000 0.443 449 A N -0.550 122.312 122.820 0.070 0.000 1.902 449 A HA -0.018 4.303 4.320 0.002 0.000 0.217 449 A C 2.138 179.758 177.584 0.061 0.000 1.181 449 A CA 1.728 53.805 52.037 0.067 0.000 0.623 449 A CB -0.621 18.419 19.000 0.067 0.000 0.818 449 A HN 0.757 nan 8.150 nan 0.000 0.443 450 L N -0.735 120.524 121.223 0.058 0.000 2.093 450 L HA -0.006 4.335 4.340 0.002 0.000 0.208 450 L C 2.208 179.112 176.870 0.057 0.000 1.085 450 L CA 1.889 56.762 54.840 0.056 0.000 0.755 450 L CB -0.398 41.693 42.059 0.054 0.000 0.904 450 L HN 0.412 nan 8.230 nan 0.000 0.435 451 M N -0.707 118.928 119.600 0.059 0.000 2.618 451 M HA 0.018 4.499 4.480 0.002 0.000 0.240 451 M C 0.128 176.460 176.300 0.053 0.000 1.123 451 M CA 0.268 55.602 55.300 0.057 0.000 1.060 451 M CB 0.064 32.699 32.600 0.059 0.000 1.535 451 M HN 0.114 nan 8.290 nan 0.000 0.507 452 K N 1.537 121.968 120.400 0.053 0.000 3.150 452 K HA -0.136 4.185 4.320 0.002 0.000 0.267 452 K C -0.795 175.833 176.600 0.046 0.000 1.028 452 K CA 0.438 56.754 56.287 0.049 0.000 0.753 452 K CB -1.407 31.119 32.500 0.043 0.000 1.288 452 K HN 0.408 nan 8.250 nan 0.000 0.473 453 Q N 0.916 120.747 119.800 0.052 0.000 2.282 453 Q HA 0.258 4.599 4.340 0.002 0.000 0.260 453 Q C -0.032 176.000 176.000 0.054 0.000 0.964 453 Q CA -0.600 55.234 55.803 0.052 0.000 0.880 453 Q CB 1.933 30.706 28.738 0.059 0.000 1.286 453 Q HN 0.243 nan 8.270 nan 0.000 0.445 454 R N 2.060 122.591 120.500 0.051 0.000 2.370 454 R HA 0.126 4.467 4.340 0.002 0.000 0.309 454 R C -0.553 175.790 176.300 0.072 0.000 1.059 454 R CA 0.325 56.457 56.100 0.053 0.000 0.981 454 R CB 0.541 30.866 30.300 0.042 0.000 0.972 454 R HN 0.644 nan 8.270 nan 0.000 0.437 455 Q N 3.486 123.326 119.800 0.067 0.000 2.320 455 Q HA 0.269 4.610 4.340 0.002 0.000 0.272 455 Q C -1.860 174.162 176.000 0.036 0.000 1.023 455 Q CA -0.850 54.996 55.803 0.072 0.000 0.855 455 Q CB 2.264 31.037 28.738 0.058 0.000 1.367 455 Q HN 0.447 nan 8.270 nan 0.000 0.406 456 V N 4.656 124.590 119.914 0.033 0.000 2.407 456 V HA 0.430 4.551 4.120 0.002 0.000 0.278 456 V C -0.206 175.791 176.094 -0.160 0.000 1.037 456 V CA -0.238 61.988 62.300 -0.124 0.000 0.900 456 V CB 1.279 32.934 31.823 -0.281 0.000 0.983 456 V HN 0.817 nan 8.190 nan 0.000 0.459 457 M N 5.331 124.766 119.600 -0.275 0.000 2.101 457 M HA 0.436 4.917 4.480 0.002 0.000 0.340 457 M C -0.812 175.068 176.300 -0.700 0.000 1.057 457 M CA -0.454 54.557 55.300 -0.481 0.000 0.984 457 M CB 1.768 34.060 32.600 -0.513 0.000 1.560 457 M HN 0.332 nan 8.290 nan 0.000 0.435 458 V N 4.745 124.351 119.914 -0.513 0.000 2.320 458 V HA 0.240 4.361 4.120 0.002 0.000 0.265 458 V C -1.076 174.897 176.094 -0.202 0.000 1.048 458 V CA -0.424 61.702 62.300 -0.290 0.000 0.865 458 V CB -0.299 31.501 31.823 -0.037 0.000 1.043 458 V HN 0.528 nan 8.190 nan 0.000 0.474 459 Y N 3.137 123.488 120.300 0.086 0.000 2.334 459 Y HA 0.554 5.106 4.550 0.002 0.000 0.336 459 Y C 0.884 176.878 175.900 0.157 0.000 0.960 459 Y CA -1.069 57.102 58.100 0.119 0.000 1.164 459 Y CB 1.677 40.182 38.460 0.075 0.000 1.155 459 Y HN 0.710 nan 8.280 nan 0.000 0.478 460 T N -1.641 113.162 114.554 0.414 0.000 2.910 460 T HA 0.443 4.794 4.350 0.002 0.000 0.279 460 T C -0.678 174.270 174.700 0.413 0.000 0.989 460 T CA -0.690 61.652 62.100 0.404 0.000 0.968 460 T CB 0.666 69.853 68.868 0.531 0.000 1.135 460 T HN 0.690 nan 8.240 nan 0.000 0.562 461 H N 0.426 119.508 119.070 0.020 0.000 2.847 461 H HA -0.069 4.488 4.556 0.002 0.000 0.336 461 H C 0.351 175.614 175.328 -0.109 0.000 1.221 461 H CA 0.820 56.782 56.048 -0.143 0.000 1.162 461 H CB -1.670 27.791 29.762 -0.503 0.000 1.566 461 H HN 0.823 nan 8.280 nan 0.000 0.430 462 D N -0.980 119.423 120.400 0.005 0.000 2.340 462 D HA 0.077 4.718 4.640 0.002 0.000 0.220 462 D C 0.843 177.119 176.300 -0.039 0.000 1.039 462 D CA 0.779 54.781 54.000 0.003 0.000 0.866 462 D CB 0.397 41.214 40.800 0.028 0.000 0.913 462 D HN 0.508 nan 8.370 nan 0.000 0.523 463 S N -0.625 115.034 115.700 -0.067 0.000 2.755 463 S HA 0.251 4.722 4.470 0.002 0.000 0.286 463 S C 1.031 175.539 174.600 -0.153 0.000 1.207 463 S CA -0.422 57.718 58.200 -0.101 0.000 0.892 463 S CB -0.262 62.887 63.200 -0.084 0.000 1.240 463 S HN 0.033 nan 8.310 nan 0.000 0.525 464 I N -0.329 120.099 120.570 -0.236 0.000 2.850 464 I HA 0.232 4.403 4.170 0.002 0.000 0.266 464 I C 1.927 177.795 176.117 -0.415 0.000 1.257 464 I CA 1.201 62.315 61.300 -0.310 0.000 1.465 464 I CB -1.154 36.615 38.000 -0.385 0.000 1.091 464 I HN 0.720 nan 8.210 nan 0.000 0.467 465 G N 2.760 111.345 108.800 -0.358 0.000 2.498 465 G HA2 -0.167 3.794 3.960 0.002 0.000 0.219 465 G HA3 -0.167 3.794 3.960 0.002 0.000 0.219 465 G C 1.561 176.391 174.900 -0.115 0.000 1.119 465 G CA 0.952 45.955 45.100 -0.161 0.000 0.766 465 G HN 0.627 nan 8.290 nan 0.000 0.552 466 L N -1.172 119.967 121.223 -0.140 0.000 2.291 466 L HA 0.419 4.760 4.340 0.002 0.000 0.214 466 L C 1.622 178.438 176.870 -0.090 0.000 1.120 466 L CA 0.979 55.742 54.840 -0.128 0.000 0.799 466 L CB -0.873 41.125 42.059 -0.102 0.000 0.925 466 L HN 0.430 nan 8.230 nan 0.000 0.446 467 G N 0.186 108.922 108.800 -0.107 0.000 2.527 467 G HA2 -0.392 3.569 3.960 0.002 0.000 0.262 467 G HA3 -0.392 3.569 3.960 0.002 0.000 0.262 467 G C 0.629 175.496 174.900 -0.056 0.000 1.153 467 G CA 0.460 45.513 45.100 -0.078 0.000 0.954 467 G HN 0.382 nan 8.290 nan 0.000 0.552 468 E N 1.127 121.302 120.200 -0.041 0.000 2.265 468 E HA 0.048 4.399 4.350 0.002 0.000 0.196 468 E C 1.914 178.476 176.600 -0.062 0.000 0.996 468 E CA 1.232 57.610 56.400 -0.037 0.000 0.832 468 E CB -0.151 29.534 29.700 -0.024 0.000 0.756 468 E HN 0.466 nan 8.360 nan 0.000 0.491 469 D N -0.032 120.309 120.400 -0.100 0.000 2.265 469 D HA -0.024 4.617 4.640 0.002 0.000 0.208 469 D C 1.066 177.273 176.300 -0.154 0.000 0.977 469 D CA 1.380 55.257 54.000 -0.205 0.000 0.871 469 D CB -0.222 40.347 40.800 -0.385 0.000 0.925 469 D HN 0.248 nan 8.370 nan 0.000 0.485 470 G N -0.025 108.736 108.800 -0.065 0.000 2.685 470 G HA2 -0.184 3.777 3.960 0.002 0.000 0.387 470 G HA3 -0.184 3.777 3.960 0.002 0.000 0.387 470 G C -2.007 172.911 174.900 0.031 0.000 1.324 470 G CA -0.180 44.914 45.100 -0.010 0.000 0.878 470 G HN -0.046 nan 8.290 nan 0.000 0.527 471 P HA -0.090 nan 4.420 nan 0.000 0.222 471 P C 1.883 179.202 177.300 0.031 0.000 1.147 471 P CA 2.606 65.733 63.100 0.044 0.000 0.790 471 P CB -0.309 31.414 31.700 0.039 0.000 0.780 472 T N -4.456 110.148 114.554 0.083 0.000 2.951 472 T HA -0.113 4.238 4.350 0.002 0.000 0.268 472 T C 1.521 176.321 174.700 0.168 0.000 1.073 472 T CA 1.233 63.414 62.100 0.134 0.000 1.134 472 T CB -0.941 68.067 68.868 0.233 0.000 0.884 472 T HN 0.152 nan 8.240 nan 0.000 0.479 473 H N 0.463 119.516 119.070 -0.029 0.000 2.729 473 H HA 0.417 4.974 4.556 0.002 0.000 0.263 473 H C 0.614 175.843 175.328 -0.165 0.000 0.961 473 H CA -0.112 55.866 56.048 -0.116 0.000 1.217 473 H CB 0.209 29.934 29.762 -0.061 0.000 1.447 473 H HN 0.436 nan 8.280 nan 0.000 0.496 474 Q N 2.073 121.884 119.800 0.018 0.000 2.307 474 Q HA 0.193 4.534 4.340 0.002 0.000 0.259 474 Q C -2.419 173.548 176.000 -0.054 0.000 0.998 474 Q CA -2.051 53.725 55.803 -0.045 0.000 0.923 474 Q CB 1.126 29.837 28.738 -0.046 0.000 1.196 474 Q HN 0.151 nan 8.270 nan 0.000 0.416 475 P HA -0.065 nan 4.420 nan 0.000 0.269 475 P C -0.362 176.905 177.300 -0.056 0.000 1.209 475 P CA 0.128 63.184 63.100 -0.074 0.000 0.776 475 P CB 1.043 32.692 31.700 -0.085 0.000 0.876 476 V N 1.609 121.504 119.914 -0.032 0.000 3.415 476 V HA 0.024 4.145 4.120 0.002 0.000 0.204 476 V C 1.611 177.689 176.094 -0.026 0.000 1.365 476 V CA 0.581 62.857 62.300 -0.040 0.000 1.310 476 V CB -0.206 31.583 31.823 -0.058 0.000 1.231 476 V HN 0.564 nan 8.190 nan 0.000 0.538 477 E N 0.088 120.276 120.200 -0.021 0.000 2.481 477 E HA -0.002 4.349 4.350 0.002 0.000 0.198 477 E C 1.427 178.005 176.600 -0.036 0.000 1.027 477 E CA 0.211 56.599 56.400 -0.020 0.000 0.900 477 E CB 0.578 30.269 29.700 -0.015 0.000 0.993 477 E HN 0.491 nan 8.360 nan 0.000 0.482 478 Q N 0.815 120.585 119.800 -0.050 0.000 2.083 478 Q HA 0.002 4.343 4.340 0.002 0.000 0.198 478 Q C 2.281 178.229 176.000 -0.086 0.000 0.969 478 Q CA 1.423 57.182 55.803 -0.074 0.000 0.838 478 Q CB -0.269 28.407 28.738 -0.104 0.000 0.900 478 Q HN 0.147 nan 8.270 nan 0.000 0.436 479 V N 0.704 120.566 119.914 -0.087 0.000 2.343 479 V HA -0.265 3.856 4.120 0.002 0.000 0.247 479 V C 2.144 178.120 176.094 -0.197 0.000 1.051 479 V CA 1.725 63.958 62.300 -0.112 0.000 1.036 479 V CB -1.121 30.645 31.823 -0.096 0.000 0.654 479 V HN 0.416 nan 8.190 nan 0.000 0.451 480 A N -0.723 121.968 122.820 -0.215 0.000 1.940 480 A HA -0.248 4.073 4.320 0.002 0.000 0.219 480 A C 2.545 180.045 177.584 -0.140 0.000 1.176 480 A CA 2.226 54.090 52.037 -0.288 0.000 0.631 480 A CB -0.731 18.204 19.000 -0.108 0.000 0.814 480 A HN 0.483 nan 8.150 nan 0.000 0.446 481 S N -0.738 114.914 115.700 -0.081 0.000 2.402 481 S HA -0.043 4.428 4.470 0.002 0.000 0.229 481 S C 1.866 176.439 174.600 -0.044 0.000 1.021 481 S CA 1.213 59.386 58.200 -0.044 0.000 0.974 481 S CB -0.452 62.724 63.200 -0.040 0.000 0.800 481 S HN 0.510 nan 8.310 nan 0.000 0.484 482 L N 0.560 121.747 121.223 -0.061 0.000 2.072 482 L HA 0.021 4.362 4.340 0.002 0.000 0.205 482 L C 2.837 179.683 176.870 -0.041 0.000 1.079 482 L CA 1.102 55.923 54.840 -0.031 0.000 0.752 482 L CB -0.422 41.630 42.059 -0.011 0.000 0.906 482 L HN 0.224 nan 8.230 nan 0.000 0.436 483 R N -0.104 120.326 120.500 -0.116 0.000 2.120 483 R HA -0.112 4.229 4.340 0.002 0.000 0.234 483 R C 1.832 178.127 176.300 -0.007 0.000 1.123 483 R CA 1.497 57.526 56.100 -0.118 0.000 0.975 483 R CB -0.254 29.826 30.300 -0.366 0.000 0.866 483 R HN 0.384 nan 8.270 nan 0.000 0.446 484 V N -2.131 117.792 119.914 0.015 0.000 3.577 484 V HA 0.140 4.261 4.120 0.002 0.000 0.294 484 V C 0.258 176.370 176.094 0.031 0.000 1.317 484 V CA 0.027 62.357 62.300 0.049 0.000 1.169 484 V CB 0.253 32.113 31.823 0.062 0.000 1.011 484 V HN -0.082 nan 8.190 nan 0.000 0.426 485 T N 4.305 118.874 114.554 0.025 0.000 2.749 485 T HA 0.403 4.754 4.350 0.002 0.000 0.295 485 T C -2.427 172.298 174.700 0.040 0.000 0.936 485 T CA -0.628 61.490 62.100 0.029 0.000 1.060 485 T CB 1.103 69.989 68.868 0.030 0.000 0.904 485 T HN 0.340 nan 8.240 nan 0.000 0.500 486 P HA 0.146 nan 4.420 nan 0.000 0.265 486 P C 0.588 177.922 177.300 0.056 0.000 1.193 486 P CA 0.121 63.248 63.100 0.046 0.000 0.765 486 P CB 0.228 31.953 31.700 0.041 0.000 0.823 487 N N -0.129 118.610 118.700 0.065 0.000 2.800 487 N HA -0.206 4.535 4.740 0.002 0.000 0.250 487 N C -0.418 175.145 175.510 0.089 0.000 1.078 487 N CA 0.826 53.922 53.050 0.076 0.000 0.804 487 N CB -1.371 37.156 38.487 0.067 0.000 1.135 487 N HN 0.382 nan 8.380 nan 0.000 0.565 488 M N 0.375 120.027 119.600 0.087 0.000 2.318 488 M HA 0.490 4.971 4.480 0.002 0.000 0.347 488 M C -0.187 176.187 176.300 0.123 0.000 1.175 488 M CA -0.388 54.972 55.300 0.099 0.000 1.075 488 M CB 1.580 34.226 32.600 0.077 0.000 1.614 488 M HN 0.099 nan 8.290 nan 0.000 0.456 489 S N 2.496 118.301 115.700 0.174 0.000 2.454 489 S HA 0.794 5.265 4.470 0.002 0.000 0.306 489 S C -1.161 173.571 174.600 0.220 0.000 1.100 489 S CA -0.459 57.881 58.200 0.234 0.000 1.087 489 S CB 0.651 64.126 63.200 0.458 0.000 1.019 489 S HN 0.792 nan 8.310 nan 0.000 0.480 490 T N 5.122 119.722 114.554 0.075 0.000 2.881 490 T HA 0.461 4.812 4.350 0.002 0.000 0.291 490 T C -1.565 173.070 174.700 -0.108 0.000 0.990 490 T CA -0.314 61.824 62.100 0.062 0.000 0.976 490 T CB 0.408 69.263 68.868 -0.023 0.000 0.970 490 T HN 0.628 nan 8.240 nan 0.000 0.438 491 W N 2.203 123.493 121.300 -0.017 0.000 2.587 491 W HA 0.620 5.281 4.660 0.002 0.000 0.324 491 W C 0.440 176.958 176.519 -0.002 0.000 1.040 491 W CA -1.018 56.313 57.345 -0.023 0.000 1.222 491 W CB 1.272 30.707 29.460 -0.042 0.000 1.381 491 W HN 0.388 nan 8.180 nan 0.000 0.483 492 R N 4.911 125.496 120.500 0.142 0.000 2.494 492 R HA 0.335 4.676 4.340 0.002 0.000 0.284 492 R C -2.566 173.808 176.300 0.123 0.000 1.525 492 R CA -1.690 54.477 56.100 0.112 0.000 1.460 492 R CB 0.751 31.085 30.300 0.056 0.000 1.134 492 R HN 0.083 nan 8.270 nan 0.000 0.592 493 P HA 0.025 nan 4.420 nan 0.000 0.271 493 P C 0.777 178.132 177.300 0.092 0.000 1.216 493 P CA -0.310 62.887 63.100 0.161 0.000 0.776 493 P CB 1.119 32.922 31.700 0.172 0.000 0.881 494 C N 0.699 120.045 119.300 0.076 0.000 2.673 494 C HA 0.209 4.670 4.460 0.002 0.000 0.264 494 C C 0.468 175.470 174.990 0.020 0.000 1.304 494 C CA 0.217 59.251 59.018 0.025 0.000 1.727 494 C CB -1.358 26.382 27.740 -0.000 0.000 1.932 494 C HN 0.657 nan 8.230 nan 0.000 0.563 495 D N -0.756 119.668 120.400 0.040 0.000 2.851 495 D HA 0.097 4.738 4.640 0.002 0.000 0.339 495 D C 0.750 177.069 176.300 0.031 0.000 1.347 495 D CA -0.048 53.966 54.000 0.024 0.000 0.888 495 D CB 0.284 41.091 40.800 0.012 0.000 1.431 495 D HN 0.267 nan 8.370 nan 0.000 0.509 496 Q N -0.290 119.515 119.800 0.008 0.000 2.224 496 Q HA -0.014 4.327 4.340 0.002 0.000 0.203 496 Q C 1.190 177.176 176.000 -0.022 0.000 0.970 496 Q CA 1.537 57.339 55.803 -0.003 0.000 0.865 496 Q CB -0.278 28.442 28.738 -0.031 0.000 0.922 496 Q HN 0.273 nan 8.270 nan 0.000 0.445 497 V N 1.606 121.505 119.914 -0.025 0.000 2.302 497 V HA -0.191 3.930 4.120 0.002 0.000 0.243 497 V C 2.121 178.229 176.094 0.023 0.000 1.036 497 V CA 2.021 64.299 62.300 -0.037 0.000 1.020 497 V CB -0.563 31.239 31.823 -0.035 0.000 0.657 497 V HN 0.382 nan 8.190 nan 0.000 0.453 498 E N 0.549 120.790 120.200 0.068 0.000 2.110 498 E HA -0.179 4.172 4.350 0.002 0.000 0.193 498 E C 2.391 179.068 176.600 0.128 0.000 0.988 498 E CA 1.584 58.060 56.400 0.127 0.000 0.804 498 E CB -0.217 29.594 29.700 0.186 0.000 0.745 498 E HN 0.546 nan 8.360 nan 0.000 0.458 499 S N 0.994 116.762 115.700 0.114 0.000 2.370 499 S HA -0.200 4.271 4.470 0.002 0.000 0.226 499 S C 2.162 176.873 174.600 0.186 0.000 1.033 499 S CA 1.124 59.411 58.200 0.145 0.000 1.011 499 S CB -0.203 63.083 63.200 0.142 0.000 0.852 499 S HN 0.397 nan 8.310 nan 0.000 0.457 500 A N 1.001 123.908 122.820 0.144 0.000 1.930 500 A HA 0.004 4.325 4.320 0.002 0.000 0.217 500 A C 2.328 180.057 177.584 0.241 0.000 1.175 500 A CA 1.252 53.414 52.037 0.209 0.000 0.627 500 A CB -0.767 18.312 19.000 0.132 0.000 0.815 500 A HN 0.344 nan 8.150 nan 0.000 0.443 501 V N -0.151 119.833 119.914 0.118 0.000 2.358 501 V HA -0.227 3.894 4.120 0.002 0.000 0.246 501 V C 3.034 179.055 176.094 -0.123 0.000 1.047 501 V CA 1.824 64.152 62.300 0.047 0.000 1.035 501 V CB -1.135 30.696 31.823 0.014 0.000 0.658 501 V HN 0.605 nan 8.190 nan 0.000 0.452 502 A N -1.264 121.420 122.820 -0.227 0.000 1.902 502 A HA -0.256 4.065 4.320 0.002 0.000 0.217 502 A C 1.968 179.378 177.584 -0.289 0.000 1.181 502 A CA 1.830 53.493 52.037 -0.623 0.000 0.623 502 A CB -0.865 17.958 19.000 -0.295 0.000 0.818 502 A HN 0.653 nan 8.150 nan 0.000 0.443 503 W N 0.198 121.468 121.300 -0.050 0.000 2.358 503 W HA -0.143 4.518 4.660 0.001 0.000 0.303 503 W C 2.465 179.149 176.519 0.275 0.000 1.208 503 W CA 1.940 59.352 57.345 0.112 0.000 1.274 503 W CB 0.086 29.617 29.460 0.118 0.000 1.138 503 W HN 0.319 nan 8.180 nan 0.000 0.515 504 K N -0.756 120.001 120.400 0.595 0.000 2.026 504 K HA -0.291 4.030 4.320 0.002 0.000 0.208 504 K C 2.021 178.752 176.600 0.218 0.000 1.048 504 K CA 1.758 58.311 56.287 0.443 0.000 0.929 504 K CB -0.816 31.872 32.500 0.313 0.000 0.713 504 K HN 0.183 nan 8.250 nan 0.000 0.439 505 Y N 0.761 121.013 120.300 -0.079 0.000 2.165 505 Y HA -0.175 4.377 4.550 0.003 0.000 0.286 505 Y C 2.100 177.940 175.900 -0.099 0.000 1.155 505 Y CA 2.086 60.089 58.100 -0.162 0.000 1.164 505 Y CB -0.649 37.502 38.460 -0.514 0.000 0.978 505 Y HN 0.188 nan 8.280 nan 0.000 0.513 506 G N -0.604 108.207 108.800 0.018 0.000 2.418 506 G HA2 -0.249 3.712 3.960 0.002 0.000 0.217 506 G HA3 -0.249 3.712 3.960 0.002 0.000 0.217 506 G C 1.644 176.556 174.900 0.021 0.000 1.158 506 G CA 1.671 46.763 45.100 -0.014 0.000 0.771 506 G HN 0.499 nan 8.290 nan 0.000 0.545 507 V N -1.590 118.395 119.914 0.117 0.000 2.667 507 V HA 0.058 4.179 4.120 0.002 0.000 0.252 507 V C 2.064 178.105 176.094 -0.088 0.000 1.065 507 V CA 2.082 64.418 62.300 0.060 0.000 1.083 507 V CB -0.445 31.413 31.823 0.058 0.000 0.692 507 V HN 0.428 nan 8.190 nan 0.000 0.468 508 E N 0.477 120.616 120.200 -0.102 0.000 2.371 508 E HA 0.029 4.380 4.350 0.002 0.000 0.194 508 E C 1.273 177.774 176.600 -0.165 0.000 1.012 508 E CA -0.153 56.163 56.400 -0.140 0.000 0.860 508 E CB 0.070 29.708 29.700 -0.105 0.000 0.811 508 E HN 0.549 nan 8.360 nan 0.000 0.502 509 R N 1.932 122.318 120.500 -0.190 0.000 2.345 509 R HA -0.009 4.332 4.340 0.002 0.000 0.331 509 R C 0.856 177.110 176.300 -0.078 0.000 1.067 509 R CA 0.035 56.029 56.100 -0.177 0.000 0.962 509 R CB 0.298 30.502 30.300 -0.160 0.000 0.987 509 R HN 0.057 nan 8.270 nan 0.000 0.451 510 Q N 1.694 121.455 119.800 -0.065 0.000 2.402 510 Q HA -0.058 4.283 4.340 0.002 0.000 0.206 510 Q C 0.052 176.048 176.000 -0.008 0.000 0.919 510 Q CA 0.730 56.513 55.803 -0.033 0.000 0.923 510 Q CB 0.587 29.302 28.738 -0.038 0.000 1.048 510 Q HN 0.721 nan 8.270 nan 0.000 0.515 511 D N -0.702 119.698 120.400 -0.000 0.000 2.463 511 D HA 0.301 4.942 4.640 0.002 0.000 0.224 511 D C 0.493 176.816 176.300 0.038 0.000 1.174 511 D CA -0.060 53.952 54.000 0.019 0.000 0.829 511 D CB 0.508 41.320 40.800 0.020 0.000 0.993 511 D HN 0.086 nan 8.370 nan 0.000 0.497 512 G N 0.287 109.113 108.800 0.043 0.000 2.328 512 G HA2 0.374 4.335 3.960 0.002 0.000 0.295 512 G HA3 0.374 4.335 3.960 0.002 0.000 0.295 512 G C -3.436 171.506 174.900 0.071 0.000 1.413 512 G CA -1.052 44.086 45.100 0.064 0.000 0.817 512 G HN -0.088 nan 8.290 nan 0.000 0.546 513 P HA 0.517 nan 4.420 nan 0.000 0.278 513 P C -0.733 176.632 177.300 0.107 0.000 1.258 513 P CA -0.094 63.053 63.100 0.079 0.000 0.811 513 P CB 1.699 33.446 31.700 0.077 0.000 1.063 514 T N 0.328 114.928 114.554 0.076 0.000 2.881 514 T HA 0.579 4.930 4.350 0.002 0.000 0.291 514 T C -0.524 174.192 174.700 0.027 0.000 0.990 514 T CA -0.322 61.848 62.100 0.115 0.000 0.976 514 T CB 1.221 70.156 68.868 0.111 0.000 0.970 514 T HN 0.468 nan 8.240 nan 0.000 0.438 515 A N 3.871 126.751 122.820 0.099 0.000 2.305 515 A HA 0.825 5.146 4.320 0.002 0.000 0.322 515 A C -0.462 177.155 177.584 0.055 0.000 1.187 515 A CA -0.673 51.381 52.037 0.029 0.000 0.825 515 A CB 0.422 19.545 19.000 0.205 0.000 1.164 515 A HN 0.846 nan 8.150 nan 0.000 0.498 516 L N 3.403 124.581 121.223 -0.075 0.000 2.296 516 L HA 0.416 4.757 4.340 0.002 0.000 0.286 516 L C -0.780 176.137 176.870 0.078 0.000 1.023 516 L CA -0.664 54.167 54.840 -0.016 0.000 0.812 516 L CB 1.405 43.344 42.059 -0.200 0.000 1.223 516 L HN 0.493 nan 8.230 nan 0.000 0.421 517 I N 5.469 126.118 120.570 0.131 0.000 2.330 517 I HA 0.409 4.580 4.170 0.002 0.000 0.286 517 I C -0.087 176.100 176.117 0.116 0.000 1.025 517 I CA -0.188 61.199 61.300 0.145 0.000 1.197 517 I CB 1.025 39.095 38.000 0.116 0.000 1.358 517 I HN 0.453 nan 8.210 nan 0.000 0.467 518 L N 4.976 126.274 121.223 0.125 0.000 2.333 518 L HA 0.561 4.902 4.340 0.002 0.000 0.269 518 L C 0.613 177.523 176.870 0.067 0.000 1.010 518 L CA -0.659 54.242 54.840 0.102 0.000 0.818 518 L CB 2.188 44.323 42.059 0.128 0.000 1.306 518 L HN 0.595 nan 8.230 nan 0.000 0.430 519 S N 0.608 116.324 115.700 0.028 0.000 2.646 519 S HA 0.387 4.858 4.470 0.002 0.000 0.276 519 S C 0.617 175.152 174.600 -0.107 0.000 1.222 519 S CA -0.693 57.488 58.200 -0.031 0.000 1.014 519 S CB 2.081 65.270 63.200 -0.018 0.000 0.991 519 S HN 0.761 nan 8.310 nan 0.000 0.533 520 R N 0.571 120.928 120.500 -0.239 0.000 2.100 520 R HA 0.024 4.365 4.340 0.002 0.000 0.220 520 R C 0.820 177.030 176.300 -0.150 0.000 1.091 520 R CA 0.520 56.400 56.100 -0.367 0.000 0.986 520 R CB -0.131 29.810 30.300 -0.599 0.000 0.888 520 R HN 0.873 nan 8.270 nan 0.000 0.444 521 Q N 1.359 121.109 119.800 -0.084 0.000 2.260 521 Q HA 0.128 4.469 4.340 0.002 0.000 0.238 521 Q C -1.084 174.908 176.000 -0.014 0.000 0.948 521 Q CA -0.501 55.287 55.803 -0.025 0.000 0.895 521 Q CB 0.651 29.404 28.738 0.025 0.000 1.218 521 Q HN 0.009 nan 8.270 nan 0.000 0.470 522 N N 1.323 120.019 118.700 -0.007 0.000 2.479 522 N HA 0.274 5.015 4.740 0.002 0.000 0.257 522 N C -0.574 174.924 175.510 -0.020 0.000 1.232 522 N CA 0.077 53.122 53.050 -0.009 0.000 0.920 522 N CB 0.454 38.938 38.487 -0.005 0.000 1.105 522 N HN 0.477 nan 8.380 nan 0.000 0.444 523 L N 1.111 122.322 121.223 -0.020 0.000 2.362 523 L HA 0.560 4.901 4.340 0.002 0.000 0.275 523 L C 0.390 177.243 176.870 -0.029 0.000 0.998 523 L CA -1.155 53.666 54.840 -0.032 0.000 0.820 523 L CB 1.677 43.722 42.059 -0.023 0.000 1.270 523 L HN 0.438 nan 8.230 nan 0.000 0.415 524 A N 2.784 125.580 122.820 -0.040 0.000 2.407 524 A HA 0.269 4.590 4.320 0.002 0.000 0.248 524 A C -0.152 177.415 177.584 -0.028 0.000 1.082 524 A CA -0.058 51.959 52.037 -0.034 0.000 0.785 524 A CB 0.581 19.556 19.000 -0.041 0.000 1.020 524 A HN 0.785 nan 8.150 nan 0.000 0.489 525 Q N 0.817 120.604 119.800 -0.022 0.000 2.259 525 Q HA 0.303 4.644 4.340 0.002 0.000 0.249 525 Q C -0.647 175.343 176.000 -0.016 0.000 0.914 525 Q CA -0.527 55.266 55.803 -0.017 0.000 0.904 525 Q CB 0.619 29.345 28.738 -0.020 0.000 1.213 525 Q HN 0.727 nan 8.270 nan 0.000 0.428 526 Q N 2.212 122.008 119.800 -0.006 0.000 2.222 526 Q HA 0.258 4.599 4.340 0.002 0.000 0.252 526 Q C -0.903 175.101 176.000 0.006 0.000 0.926 526 Q CA -0.284 55.517 55.803 -0.004 0.000 0.899 526 Q CB 1.493 30.233 28.738 0.004 0.000 1.250 526 Q HN 0.665 nan 8.270 nan 0.000 0.441 527 E N 1.618 121.820 120.200 0.002 0.000 2.331 527 E HA 0.311 4.662 4.350 0.002 0.000 0.272 527 E C -0.427 176.187 176.600 0.022 0.000 1.036 527 E CA -0.032 56.372 56.400 0.006 0.000 0.864 527 E CB 0.959 30.661 29.700 0.003 0.000 1.035 527 E HN 0.166 nan 8.360 nan 0.000 0.408 528 R N 0.863 121.376 120.500 0.022 0.000 2.651 528 R HA 0.269 4.610 4.340 0.002 0.000 0.278 528 R C -0.363 175.948 176.300 0.018 0.000 1.010 528 R CA -0.624 55.496 56.100 0.034 0.000 0.896 528 R CB 1.948 32.263 30.300 0.025 0.000 1.211 528 R HN 0.635 nan 8.270 nan 0.000 0.456 529 T N -2.232 112.337 114.554 0.025 0.000 2.770 529 T HA 0.100 4.451 4.350 0.002 0.000 0.281 529 T C 1.128 175.832 174.700 0.006 0.000 0.981 529 T CA -0.627 61.484 62.100 0.017 0.000 0.955 529 T CB 1.122 70.006 68.868 0.027 0.000 1.060 529 T HN 0.699 nan 8.240 nan 0.000 0.531 530 E N -0.143 120.059 120.200 0.004 0.000 2.110 530 E HA -0.196 4.155 4.350 0.002 0.000 0.193 530 E C 2.046 178.644 176.600 -0.003 0.000 0.988 530 E CA 1.259 57.656 56.400 -0.004 0.000 0.804 530 E CB -0.032 29.669 29.700 0.001 0.000 0.745 530 E HN 0.848 nan 8.360 nan 0.000 0.458 531 E N 0.198 120.405 120.200 0.012 0.000 2.072 531 E HA -0.249 4.102 4.350 0.002 0.000 0.191 531 E C 2.062 178.669 176.600 0.013 0.000 0.985 531 E CA 1.169 57.584 56.400 0.023 0.000 0.801 531 E CB 0.060 29.788 29.700 0.047 0.000 0.750 531 E HN 0.333 nan 8.360 nan 0.000 0.452 532 Q N 0.190 119.999 119.800 0.016 0.000 2.084 532 Q HA -0.172 4.169 4.340 0.002 0.000 0.202 532 Q C 2.360 178.242 176.000 -0.197 0.000 0.978 532 Q CA 1.211 56.999 55.803 -0.025 0.000 0.844 532 Q CB -0.156 28.630 28.738 0.080 0.000 0.898 532 Q HN 0.260 nan 8.270 nan 0.000 0.426 533 L N 0.794 121.950 121.223 -0.111 0.000 2.042 533 L HA -0.176 4.165 4.340 0.002 0.000 0.210 533 L C 2.159 178.952 176.870 -0.128 0.000 1.076 533 L CA 2.156 56.921 54.840 -0.125 0.000 0.749 533 L CB -0.754 41.267 42.059 -0.063 0.000 0.893 533 L HN 0.148 nan 8.230 nan 0.000 0.432 534 A N -0.827 121.943 122.820 -0.082 0.000 1.969 534 A HA -0.170 4.151 4.320 0.002 0.000 0.218 534 A C 1.937 179.476 177.584 -0.076 0.000 1.169 534 A CA 1.650 53.653 52.037 -0.056 0.000 0.635 534 A CB -0.686 18.300 19.000 -0.024 0.000 0.810 534 A HN 0.594 nan 8.150 nan 0.000 0.445 535 N N -0.087 118.542 118.700 -0.119 0.000 2.515 535 N HA 0.055 4.796 4.740 0.002 0.000 0.185 535 N C 1.328 176.717 175.510 -0.202 0.000 1.109 535 N CA 0.446 53.441 53.050 -0.092 0.000 0.903 535 N CB -0.334 38.186 38.487 0.055 0.000 0.969 535 N HN 0.585 nan 8.380 nan 0.000 0.450 536 I N 0.761 121.098 120.570 -0.388 0.000 2.208 536 I HA -0.258 3.913 4.170 0.002 0.000 0.245 536 I C 2.056 178.257 176.117 0.139 0.000 1.097 536 I CA 1.045 62.183 61.300 -0.271 0.000 1.363 536 I CB -0.245 37.655 38.000 -0.167 0.000 1.051 536 I HN 0.062 nan 8.210 nan 0.000 0.413 537 A N 0.558 123.453 122.820 0.125 0.000 2.172 537 A HA -0.110 4.211 4.320 0.002 0.000 0.216 537 A C 2.141 179.886 177.584 0.268 0.000 1.154 537 A CA 0.941 53.133 52.037 0.258 0.000 0.701 537 A CB -0.566 18.548 19.000 0.190 0.000 0.789 537 A HN 0.382 nan 8.150 nan 0.000 0.465 538 R N -1.372 119.220 120.500 0.155 0.000 2.313 538 R HA 0.194 4.535 4.340 0.002 0.000 0.199 538 R C 1.592 178.020 176.300 0.213 0.000 0.958 538 R CA 0.532 56.690 56.100 0.097 0.000 1.047 538 R CB -0.091 30.117 30.300 -0.153 0.000 0.955 538 R HN 0.617 nan 8.270 nan 0.000 0.481 539 G N 0.222 109.139 108.800 0.195 0.000 2.417 539 G HA2 -0.272 3.689 3.960 0.002 0.000 0.233 539 G HA3 -0.272 3.689 3.960 0.002 0.000 0.233 539 G C 0.325 175.283 174.900 0.097 0.000 1.103 539 G CA -0.060 45.022 45.100 -0.030 0.000 0.647 539 G HN 0.601 nan 8.290 nan 0.000 0.512 540 G N -0.492 108.516 108.800 0.348 0.000 2.662 540 G HA2 0.875 4.836 3.960 0.002 0.000 0.302 540 G HA3 0.875 4.836 3.960 0.002 0.000 0.302 540 G C -0.922 174.218 174.900 0.400 0.000 1.389 540 G CA 0.122 45.276 45.100 0.090 0.000 0.998 540 G HN 1.599 nan 8.290 nan 0.000 0.502 541 Y N -0.800 119.533 120.300 0.055 0.000 2.656 541 Y HA 0.683 5.234 4.550 0.002 0.000 0.334 541 Y C -1.014 174.888 175.900 0.003 0.000 1.179 541 Y CA -1.759 56.416 58.100 0.126 0.000 1.050 541 Y CB 0.898 39.471 38.460 0.188 0.000 1.308 541 Y HN 0.431 nan 8.280 nan 0.000 0.456 542 V N 3.370 123.319 119.914 0.059 0.000 2.427 542 V HA 0.080 4.201 4.120 0.002 0.000 0.268 542 V C 0.475 176.543 176.094 -0.042 0.000 1.046 542 V CA 0.061 62.325 62.300 -0.060 0.000 0.970 542 V CB 0.685 32.509 31.823 0.001 0.000 1.001 542 V HN 0.880 nan 8.190 nan 0.000 0.476 543 L N 5.025 126.123 121.223 -0.209 0.000 2.286 543 L HA 0.399 4.740 4.340 0.002 0.000 0.203 543 L C 0.752 177.534 176.870 -0.148 0.000 1.068 543 L CA 1.495 56.251 54.840 -0.140 0.000 0.811 543 L CB 0.068 41.965 42.059 -0.270 0.000 0.989 543 L HN 0.417 nan 8.230 nan 0.000 0.467 544 K N 0.396 120.637 120.400 -0.264 0.000 2.422 544 K HA 0.485 4.806 4.320 0.002 0.000 0.251 544 K C -1.480 174.959 176.600 -0.269 0.000 0.933 544 K CA -0.529 55.521 56.287 -0.395 0.000 0.798 544 K CB 2.243 34.159 32.500 -0.974 0.000 1.238 544 K HN -0.108 nan 8.250 nan 0.000 0.428 545 D N 0.172 120.524 120.400 -0.079 0.000 2.579 545 D HA 0.476 5.117 4.640 0.002 0.000 0.257 545 D C -0.691 175.714 176.300 0.175 0.000 1.176 545 D CA -0.317 53.715 54.000 0.055 0.000 0.914 545 D CB 1.427 42.242 40.800 0.026 0.000 1.431 545 D HN 0.637 nan 8.370 nan 0.000 0.454 546 C N -0.111 119.279 119.300 0.149 0.000 2.564 546 C HA 1.005 5.466 4.460 0.002 0.000 0.381 546 C C 0.453 175.483 174.990 0.067 0.000 1.297 546 C CA -0.901 58.188 59.018 0.117 0.000 1.846 546 C CB 0.232 28.028 27.740 0.093 0.000 2.198 546 C HN 0.634 nan 8.230 nan 0.000 0.507 547 A N 0.833 123.681 122.820 0.047 0.000 2.363 547 A HA 0.666 4.987 4.320 0.002 0.000 0.270 547 A C 0.959 178.557 177.584 0.024 0.000 1.121 547 A CA 0.933 52.989 52.037 0.032 0.000 0.800 547 A CB -0.884 18.130 19.000 0.024 0.000 1.052 547 A HN 3.009 nan 8.150 nan 0.000 0.493 548 G N 0.768 109.581 108.800 0.021 0.000 2.642 548 G HA2 -0.152 3.809 3.960 0.002 0.000 0.231 548 G HA3 -0.152 3.809 3.960 0.002 0.000 0.231 548 G C 0.011 174.920 174.900 0.014 0.000 1.338 548 G CA 0.205 45.314 45.100 0.015 0.000 0.883 548 G HN 1.197 nan 8.290 nan 0.000 0.570 549 Q N 1.069 120.874 119.800 0.009 0.000 2.304 549 Q HA 0.474 4.815 4.340 0.002 0.000 0.260 549 Q C -1.803 174.199 176.000 0.003 0.000 0.965 549 Q CA -1.380 54.426 55.803 0.005 0.000 0.898 549 Q CB 0.845 29.584 28.738 0.001 0.000 1.196 549 Q HN 0.463 nan 8.270 nan 0.000 0.402 550 P HA -0.005 nan 4.420 nan 0.000 0.272 550 P C -0.716 176.573 177.300 -0.019 0.000 1.223 550 P CA 0.276 63.376 63.100 -0.001 0.000 0.784 550 P CB 0.742 32.439 31.700 -0.005 0.000 0.923 551 E N 0.110 120.294 120.200 -0.027 0.000 2.340 551 E HA 0.117 4.468 4.350 0.002 0.000 0.194 551 E C 0.190 176.745 176.600 -0.074 0.000 0.996 551 E CA 0.271 56.645 56.400 -0.042 0.000 0.869 551 E CB 0.193 29.868 29.700 -0.040 0.000 0.835 551 E HN 0.211 nan 8.360 nan 0.000 0.493 552 L N 0.550 121.714 121.223 -0.098 0.000 2.482 552 L HA 0.474 4.815 4.340 0.002 0.000 0.263 552 L C -1.821 174.913 176.870 -0.226 0.000 0.957 552 L CA -0.488 54.238 54.840 -0.191 0.000 0.836 552 L CB 1.879 43.783 42.059 -0.257 0.000 1.324 552 L HN -0.165 nan 8.230 nan 0.000 0.406 553 I N 4.152 124.554 120.570 -0.281 0.000 2.466 553 I HA 0.395 4.566 4.170 0.002 0.000 0.289 553 I C -1.132 174.787 176.117 -0.331 0.000 1.026 553 I CA -0.359 60.810 61.300 -0.218 0.000 1.078 553 I CB 1.723 39.651 38.000 -0.120 0.000 1.249 553 I HN 0.417 nan 8.210 nan 0.000 0.429 554 F N 6.313 126.212 119.950 -0.085 0.000 2.394 554 F HA 0.529 5.057 4.527 0.002 0.000 0.340 554 F C 0.218 175.898 175.800 -0.200 0.000 1.105 554 F CA -0.413 57.509 58.000 -0.131 0.000 1.124 554 F CB 1.053 39.986 39.000 -0.112 0.000 1.145 554 F HN 0.138 nan 8.300 nan 0.000 0.505 555 I N 3.000 123.524 120.570 -0.076 0.000 2.418 555 I HA 0.699 4.870 4.170 0.002 0.000 0.287 555 I C -0.425 175.477 176.117 -0.358 0.000 1.008 555 I CA -0.488 60.662 61.300 -0.249 0.000 1.104 555 I CB 1.484 39.300 38.000 -0.307 0.000 1.264 555 I HN 0.692 nan 8.210 nan 0.000 0.438 556 A N 3.972 126.601 122.820 -0.319 0.000 2.566 556 A HA 0.972 5.293 4.320 0.002 0.000 0.292 556 A C -0.499 176.941 177.584 -0.240 0.000 1.112 556 A CA -0.543 51.311 52.037 -0.306 0.000 0.707 556 A CB 2.077 20.943 19.000 -0.223 0.000 1.302 556 A HN 0.652 nan 8.150 nan 0.000 0.409 557 T N -2.226 112.224 114.554 -0.173 0.000 2.883 557 T HA 0.739 5.090 4.350 0.002 0.000 0.296 557 T C 0.851 175.513 174.700 -0.063 0.000 1.117 557 T CA 0.479 62.532 62.100 -0.078 0.000 1.006 557 T CB 0.955 69.835 68.868 0.020 0.000 1.191 557 T HN 2.639 nan 8.240 nan 0.000 0.508 558 G N 2.017 110.802 108.800 -0.024 0.000 2.661 558 G HA2 -0.371 3.590 3.960 0.002 0.000 0.327 558 G HA3 -0.371 3.590 3.960 0.002 0.000 0.327 558 G C 1.331 176.195 174.900 -0.059 0.000 1.320 558 G CA 2.024 47.113 45.100 -0.019 0.000 0.997 558 G HN 2.151 nan 8.290 nan 0.000 0.543 559 S N -0.220 115.435 115.700 -0.075 0.000 2.469 559 S HA -0.017 4.454 4.470 0.002 0.000 0.238 559 S C 1.698 176.182 174.600 -0.193 0.000 0.998 559 S CA 2.164 60.287 58.200 -0.128 0.000 0.957 559 S CB -0.019 63.106 63.200 -0.125 0.000 0.764 559 S HN 0.621 nan 8.310 nan 0.000 0.514 560 E N 0.804 120.899 120.200 -0.175 0.000 2.478 560 E HA 0.216 4.567 4.350 0.002 0.000 0.194 560 E C 1.740 178.242 176.600 -0.164 0.000 1.045 560 E CA 0.066 56.360 56.400 -0.176 0.000 0.868 560 E CB -0.256 29.364 29.700 -0.134 0.000 0.885 560 E HN 0.383 nan 8.360 nan 0.000 0.505 561 V N 0.893 120.716 119.914 -0.152 0.000 2.343 561 V HA -0.286 3.835 4.120 0.002 0.000 0.247 561 V C 2.316 178.312 176.094 -0.164 0.000 1.051 561 V CA 2.096 64.300 62.300 -0.160 0.000 1.036 561 V CB -0.304 31.439 31.823 -0.132 0.000 0.654 561 V HN 0.352 nan 8.190 nan 0.000 0.451 562 E N -0.274 119.838 120.200 -0.146 0.000 2.118 562 E HA -0.270 4.081 4.350 0.002 0.000 0.195 562 E C 2.164 178.672 176.600 -0.154 0.000 0.992 562 E CA 1.364 57.682 56.400 -0.137 0.000 0.804 562 E CB -0.116 29.508 29.700 -0.126 0.000 0.741 562 E HN 0.413 nan 8.360 nan 0.000 0.458 563 L N 0.741 121.861 121.223 -0.171 0.000 2.046 563 L HA -0.097 4.244 4.340 0.002 0.000 0.208 563 L C 2.281 179.004 176.870 -0.244 0.000 1.077 563 L CA 2.143 56.880 54.840 -0.171 0.000 0.747 563 L CB -0.904 41.075 42.059 -0.134 0.000 0.896 563 L HN 0.209 nan 8.230 nan 0.000 0.432 564 A N -1.471 121.173 122.820 -0.294 0.000 1.902 564 A HA -0.145 4.176 4.320 0.002 0.000 0.217 564 A C 2.286 179.598 177.584 -0.453 0.000 1.181 564 A CA 1.889 53.625 52.037 -0.501 0.000 0.623 564 A CB -1.001 17.765 19.000 -0.391 0.000 0.818 564 A HN 0.268 nan 8.150 nan 0.000 0.443 565 V N -0.134 119.623 119.914 -0.261 0.000 2.343 565 V HA -0.248 3.873 4.120 0.002 0.000 0.247 565 V C 3.038 179.093 176.094 -0.065 0.000 1.051 565 V CA 1.917 64.125 62.300 -0.154 0.000 1.036 565 V CB -1.180 30.563 31.823 -0.133 0.000 0.654 565 V HN 0.616 nan 8.190 nan 0.000 0.451 566 A N -0.082 122.671 122.820 -0.112 0.000 1.933 566 A HA -0.081 4.240 4.320 0.002 0.000 0.218 566 A C 2.408 179.931 177.584 -0.101 0.000 1.175 566 A CA 1.943 53.932 52.037 -0.080 0.000 0.628 566 A CB -0.679 18.269 19.000 -0.088 0.000 0.814 566 A HN 0.564 nan 8.150 nan 0.000 0.444 567 A N -1.320 121.375 122.820 -0.209 0.000 1.930 567 A HA -0.085 4.236 4.320 0.002 0.000 0.217 567 A C 2.110 179.623 177.584 -0.119 0.000 1.175 567 A CA 1.576 53.475 52.037 -0.229 0.000 0.627 567 A CB -0.798 17.933 19.000 -0.448 0.000 0.815 567 A HN 0.817 nan 8.150 nan 0.000 0.443 568 Y N 0.899 121.036 120.300 -0.271 0.000 2.181 568 Y HA -0.197 4.354 4.550 0.002 0.000 0.288 568 Y C 2.116 178.012 175.900 -0.006 0.000 1.146 568 Y CA 2.221 60.308 58.100 -0.023 0.000 1.164 568 Y CB -0.294 38.139 38.460 -0.045 0.000 0.982 568 Y HN 0.457 nan 8.280 nan 0.000 0.515 569 E N 0.113 120.295 120.200 -0.030 0.000 2.110 569 E HA -0.185 4.166 4.350 0.002 0.000 0.193 569 E C 2.092 178.610 176.600 -0.136 0.000 0.988 569 E CA 1.227 57.555 56.400 -0.120 0.000 0.804 569 E CB -0.027 29.675 29.700 0.004 0.000 0.745 569 E HN 0.409 nan 8.360 nan 0.000 0.458 570 K N 0.567 120.917 120.400 -0.084 0.000 2.057 570 K HA -0.070 4.251 4.320 0.002 0.000 0.206 570 K C 2.246 178.805 176.600 -0.069 0.000 1.050 570 K CA 0.700 56.948 56.287 -0.064 0.000 0.935 570 K CB -0.231 32.246 32.500 -0.038 0.000 0.715 570 K HN 0.206 nan 8.250 nan 0.000 0.439 571 L N 0.767 121.954 121.223 -0.060 0.000 2.109 571 L HA -0.126 4.215 4.340 0.002 0.000 0.207 571 L C 2.382 179.185 176.870 -0.111 0.000 1.086 571 L CA 1.106 55.919 54.840 -0.044 0.000 0.760 571 L CB -0.629 41.458 42.059 0.047 0.000 0.910 571 L HN 0.161 nan 8.230 nan 0.000 0.437 572 T N -0.036 114.378 114.554 -0.235 0.000 2.759 572 T HA -0.178 4.173 4.350 0.002 0.000 0.269 572 T C 1.891 176.498 174.700 -0.155 0.000 1.042 572 T CA 1.356 63.294 62.100 -0.269 0.000 1.140 572 T CB -0.156 68.400 68.868 -0.520 0.000 0.864 572 T HN 0.448 nan 8.240 nan 0.000 0.455 573 A N 1.214 123.957 122.820 -0.130 0.000 2.067 573 A HA -0.053 4.268 4.320 0.002 0.000 0.219 573 A C 1.930 179.479 177.584 -0.059 0.000 1.158 573 A CA 1.069 53.059 52.037 -0.080 0.000 0.661 573 A CB -0.326 18.634 19.000 -0.067 0.000 0.801 573 A HN 0.563 nan 8.150 nan 0.000 0.452 574 E N -1.434 118.732 120.200 -0.057 0.000 2.479 574 E HA 0.266 4.617 4.350 0.002 0.000 0.193 574 E C 1.022 177.597 176.600 -0.040 0.000 1.049 574 E CA 0.230 56.605 56.400 -0.041 0.000 0.870 574 E CB -0.037 29.643 29.700 -0.033 0.000 0.944 574 E HN 0.704 nan 8.360 nan 0.000 0.492 575 G N 1.140 109.910 108.800 -0.051 0.000 2.141 575 G HA2 -0.261 3.700 3.960 0.002 0.000 0.242 575 G HA3 -0.261 3.700 3.960 0.002 0.000 0.242 575 G C 0.344 175.218 174.900 -0.043 0.000 0.982 575 G CA 0.105 45.179 45.100 -0.044 0.000 0.662 575 G HN 0.156 nan 8.290 nan 0.000 0.527 576 V N 0.688 120.571 119.914 -0.051 0.000 2.649 576 V HA 0.332 4.453 4.120 0.002 0.000 0.292 576 V C 0.922 176.989 176.094 -0.043 0.000 1.055 576 V CA -0.212 62.062 62.300 -0.043 0.000 1.023 576 V CB 1.579 33.379 31.823 -0.038 0.000 0.992 576 V HN 0.263 nan 8.190 nan 0.000 0.480 577 K N 3.649 124.034 120.400 -0.025 0.000 2.250 577 K HA 0.602 4.923 4.320 0.002 0.000 0.285 577 K C -0.120 176.491 176.600 0.018 0.000 1.097 577 K CA 0.025 56.309 56.287 -0.004 0.000 0.913 577 K CB 0.940 33.441 32.500 0.000 0.000 1.179 577 K HN 0.830 nan 8.250 nan 0.000 0.462 578 A N 3.490 126.350 122.820 0.066 0.000 2.346 578 A HA 0.712 5.033 4.320 0.002 0.000 0.313 578 A C -0.725 177.039 177.584 0.301 0.000 1.140 578 A CA -0.793 51.335 52.037 0.152 0.000 0.826 578 A CB 1.315 20.456 19.000 0.236 0.000 1.332 578 A HN 0.753 nan 8.150 nan 0.000 0.457 579 R N 0.030 120.668 120.500 0.231 0.000 2.725 579 R HA 0.663 5.004 4.340 0.002 0.000 0.277 579 R C -2.276 174.083 176.300 0.098 0.000 0.987 579 R CA -0.416 55.757 56.100 0.123 0.000 0.901 579 R CB 2.066 32.381 30.300 0.025 0.000 1.207 579 R HN 0.515 nan 8.270 nan 0.000 0.463 580 V N 3.639 123.500 119.914 -0.088 0.000 2.448 580 V HA 0.430 4.551 4.120 0.002 0.000 0.295 580 V C -0.596 175.379 176.094 -0.199 0.000 1.025 580 V CA -0.770 61.470 62.300 -0.101 0.000 0.859 580 V CB 1.838 33.511 31.823 -0.249 0.000 0.988 580 V HN 0.517 nan 8.190 nan 0.000 0.431 581 V N 3.796 123.587 119.914 -0.206 0.000 2.384 581 V HA 0.429 4.550 4.120 0.002 0.000 0.287 581 V C 0.341 176.201 176.094 -0.391 0.000 1.020 581 V CA -0.200 61.909 62.300 -0.317 0.000 0.850 581 V CB 1.966 33.615 31.823 -0.289 0.000 0.987 581 V HN 0.894 nan 8.190 nan 0.000 0.436 582 S N 5.161 120.510 115.700 -0.583 0.000 2.525 582 S HA 0.615 5.086 4.470 0.002 0.000 0.278 582 S C -0.307 174.052 174.600 -0.402 0.000 1.234 582 S CA -0.544 57.361 58.200 -0.493 0.000 1.058 582 S CB 0.589 63.437 63.200 -0.587 0.000 0.983 582 S HN 0.700 nan 8.310 nan 0.000 0.495 583 M N 8.428 127.880 119.600 -0.247 0.000 2.488 583 M HA 0.433 4.914 4.480 0.002 0.000 0.204 583 M C -2.105 174.123 176.300 -0.120 0.000 0.969 583 M CA -1.899 53.274 55.300 -0.212 0.000 0.720 583 M CB 1.578 34.018 32.600 -0.267 0.000 1.427 583 M HN 0.370 nan 8.290 nan 0.000 0.427 584 P HA -0.033 nan 4.420 nan 0.000 0.217 584 P C 0.044 177.125 177.300 -0.364 0.000 1.150 584 P CA 0.813 63.879 63.100 -0.058 0.000 0.832 584 P CB 0.316 32.127 31.700 0.185 0.000 0.787 585 S N -0.993 114.319 115.700 -0.647 0.000 2.756 585 S HA 0.328 4.799 4.470 0.002 0.000 0.303 585 S C 1.066 175.418 174.600 -0.414 0.000 1.135 585 S CA -0.305 57.359 58.200 -0.894 0.000 1.066 585 S CB 0.553 62.512 63.200 -2.068 0.000 1.008 585 S HN 0.120 nan 8.310 nan 0.000 0.482 586 T N 1.178 115.602 114.554 -0.216 0.000 2.821 586 T HA -0.151 4.200 4.350 0.002 0.000 0.267 586 T C 1.431 176.189 174.700 0.096 0.000 1.046 586 T CA 1.594 63.704 62.100 0.016 0.000 1.139 586 T CB -0.549 68.401 68.868 0.137 0.000 0.871 586 T HN 0.784 nan 8.240 nan 0.000 0.454 587 D N 2.279 122.660 120.400 -0.030 0.000 2.144 587 D HA -0.035 4.606 4.640 0.002 0.000 0.200 587 D C 2.303 178.626 176.300 0.038 0.000 0.978 587 D CA 1.160 55.179 54.000 0.032 0.000 0.833 587 D CB -0.453 40.365 40.800 0.030 0.000 0.961 587 D HN 0.589 nan 8.370 nan 0.000 0.470 588 A N 0.474 123.245 122.820 -0.082 0.000 1.969 588 A HA -0.057 4.264 4.320 0.002 0.000 0.218 588 A C 2.000 179.637 177.584 0.088 0.000 1.169 588 A CA 0.762 52.800 52.037 0.002 0.000 0.635 588 A CB -1.054 17.845 19.000 -0.168 0.000 0.810 588 A HN 0.276 nan 8.150 nan 0.000 0.445 589 F N 1.310 121.239 119.950 -0.036 0.000 2.146 589 F HA -0.142 4.386 4.527 0.002 0.000 0.298 589 F C 1.575 177.452 175.800 0.128 0.000 1.096 589 F CA 1.957 60.000 58.000 0.072 0.000 1.275 589 F CB -0.156 38.867 39.000 0.038 0.000 1.008 589 F HN 0.217 nan 8.300 nan 0.000 0.480 590 D N 0.339 120.820 120.400 0.136 0.000 2.218 590 D HA -0.148 4.493 4.640 0.002 0.000 0.204 590 D C 1.959 178.245 176.300 -0.023 0.000 0.976 590 D CA 1.162 55.189 54.000 0.046 0.000 0.853 590 D CB -0.275 40.611 40.800 0.144 0.000 0.939 590 D HN 0.358 nan 8.370 nan 0.000 0.481 591 K N 0.126 120.532 120.400 0.010 0.000 2.418 591 K HA 0.010 4.331 4.320 0.002 0.000 0.195 591 K C 0.685 177.276 176.600 -0.015 0.000 1.035 591 K CA 0.069 56.368 56.287 0.020 0.000 1.003 591 K CB 0.315 32.861 32.500 0.076 0.000 0.793 591 K HN 0.126 nan 8.250 nan 0.000 0.494 592 Q N 1.743 121.498 119.800 -0.075 0.000 2.492 592 Q HA -0.029 4.312 4.340 0.002 0.000 0.238 592 Q C -0.178 175.795 176.000 -0.046 0.000 1.045 592 Q CA 0.262 56.020 55.803 -0.076 0.000 0.934 592 Q CB 0.302 28.986 28.738 -0.090 0.000 1.276 592 Q HN 0.278 nan 8.270 nan 0.000 0.521 593 D N -1.159 119.240 120.400 -0.001 0.000 2.360 593 D HA 0.181 4.822 4.640 0.002 0.000 0.242 593 D C 0.661 176.976 176.300 0.026 0.000 1.184 593 D CA 0.193 54.204 54.000 0.017 0.000 0.930 593 D CB 0.447 41.267 40.800 0.032 0.000 1.161 593 D HN 0.445 nan 8.370 nan 0.000 0.447 594 A N 1.137 123.967 122.820 0.017 0.000 1.940 594 A HA -0.004 4.317 4.320 0.002 0.000 0.219 594 A C 2.201 179.803 177.584 0.030 0.000 1.176 594 A CA 2.269 54.313 52.037 0.012 0.000 0.631 594 A CB -1.315 17.693 19.000 0.013 0.000 0.814 594 A HN 0.736 nan 8.150 nan 0.000 0.446 595 A N -1.531 121.319 122.820 0.051 0.000 1.902 595 A HA -0.109 4.212 4.320 0.002 0.000 0.217 595 A C 2.155 179.789 177.584 0.082 0.000 1.181 595 A CA 1.672 53.745 52.037 0.060 0.000 0.623 595 A CB -0.789 18.253 19.000 0.070 0.000 0.818 595 A HN 0.732 nan 8.150 nan 0.000 0.443 596 Y N 0.554 120.856 120.300 0.002 0.000 2.163 596 Y HA -0.170 4.382 4.550 0.002 0.000 0.288 596 Y C 2.521 178.441 175.900 0.034 0.000 1.136 596 Y CA 1.964 60.078 58.100 0.023 0.000 1.147 596 Y CB -0.254 38.211 38.460 0.009 0.000 0.987 596 Y HN 0.240 nan 8.280 nan 0.000 0.509 597 R N -0.172 120.307 120.500 -0.036 0.000 2.081 597 R HA -0.207 4.134 4.340 0.002 0.000 0.235 597 R C 2.141 178.460 176.300 0.031 0.000 1.131 597 R CA 1.650 57.693 56.100 -0.095 0.000 0.960 597 R CB -0.402 29.771 30.300 -0.211 0.000 0.856 597 R HN 0.315 nan 8.270 nan 0.000 0.436 598 E N 1.059 121.264 120.200 0.008 0.000 2.153 598 E HA -0.149 4.202 4.350 0.002 0.000 0.194 598 E C 1.843 178.437 176.600 -0.011 0.000 0.988 598 E CA 1.837 58.249 56.400 0.020 0.000 0.811 598 E CB -0.050 29.661 29.700 0.018 0.000 0.746 598 E HN 0.290 nan 8.360 nan 0.000 0.466 599 S N -0.884 114.777 115.700 -0.065 0.000 2.383 599 S HA -0.105 4.366 4.470 0.002 0.000 0.227 599 S C 2.068 176.605 174.600 -0.104 0.000 1.026 599 S CA 1.188 59.338 58.200 -0.083 0.000 0.981 599 S CB -0.536 62.604 63.200 -0.100 0.000 0.818 599 S HN 0.133 nan 8.310 nan 0.000 0.472 600 V N 1.162 120.983 119.914 -0.155 0.000 2.407 600 V HA 0.236 4.357 4.120 0.002 0.000 0.245 600 V C 1.148 177.227 176.094 -0.026 0.000 1.041 600 V CA 1.050 63.291 62.300 -0.099 0.000 1.040 600 V CB -0.603 31.176 31.823 -0.074 0.000 0.671 600 V HN 0.475 nan 8.190 nan 0.000 0.455 601 L N 2.380 123.635 121.223 0.052 0.000 2.556 601 L HA 0.367 4.708 4.340 0.002 0.000 0.243 601 L C -2.572 174.337 176.870 0.064 0.000 1.331 601 L CA -1.563 53.316 54.840 0.065 0.000 0.927 601 L CB 1.272 43.420 42.059 0.148 0.000 1.219 601 L HN 0.159 nan 8.230 nan 0.000 0.490 602 P HA -0.036 nan 4.420 nan 0.000 0.265 602 P C 0.495 177.813 177.300 0.030 0.000 1.193 602 P CA -0.029 63.085 63.100 0.023 0.000 0.765 602 P CB 0.819 32.523 31.700 0.008 0.000 0.823 603 K N 2.999 123.418 120.400 0.032 0.000 2.211 603 K HA -0.102 4.219 4.320 0.002 0.000 0.203 603 K C 1.556 178.167 176.600 0.019 0.000 1.050 603 K CA 1.385 57.690 56.287 0.031 0.000 0.945 603 K CB -0.570 31.947 32.500 0.030 0.000 0.732 603 K HN 0.311 nan 8.250 nan 0.000 0.451 604 A N 1.403 124.230 122.820 0.013 0.000 2.121 604 A HA 0.079 4.400 4.320 0.002 0.000 0.218 604 A C 0.790 178.374 177.584 0.001 0.000 1.154 604 A CA 0.516 52.557 52.037 0.006 0.000 0.679 604 A CB -0.082 18.920 19.000 0.004 0.000 0.795 604 A HN 0.130 nan 8.150 nan 0.000 0.458 605 V N 1.587 121.500 119.914 -0.001 0.000 2.368 605 V HA 0.201 4.322 4.120 0.002 0.000 0.266 605 V C 1.329 177.416 176.094 -0.012 0.000 1.045 605 V CA 0.608 62.901 62.300 -0.013 0.000 0.899 605 V CB 0.634 32.444 31.823 -0.020 0.000 1.006 605 V HN 0.584 nan 8.190 nan 0.000 0.470 606 T N 1.028 115.572 114.554 -0.016 0.000 3.069 606 T HA 0.269 4.620 4.350 0.002 0.000 0.252 606 T C 0.818 175.500 174.700 -0.029 0.000 1.053 606 T CA 0.468 62.561 62.100 -0.011 0.000 0.964 606 T CB 0.371 69.238 68.868 -0.003 0.000 1.005 606 T HN 0.653 nan 8.240 nan 0.000 0.532 607 A N 2.189 124.977 122.820 -0.052 0.000 2.671 607 A HA 0.607 4.928 4.320 0.002 0.000 0.306 607 A C 0.179 177.688 177.584 -0.125 0.000 1.473 607 A CA -0.685 51.302 52.037 -0.083 0.000 1.155 607 A CB -0.271 18.672 19.000 -0.095 0.000 1.123 607 A HN 0.487 nan 8.150 nan 0.000 0.545 608 R N 1.084 121.520 120.500 -0.107 0.000 2.599 608 R HA 0.616 4.957 4.340 0.002 0.000 0.295 608 R C -1.430 174.786 176.300 -0.142 0.000 0.963 608 R CA -0.638 55.386 56.100 -0.128 0.000 0.883 608 R CB 2.512 32.783 30.300 -0.050 0.000 1.171 608 R HN 0.346 nan 8.270 nan 0.000 0.450 609 V N 2.027 121.823 119.914 -0.197 0.000 2.444 609 V HA 0.562 4.683 4.120 0.002 0.000 0.294 609 V C -0.312 175.719 176.094 -0.105 0.000 1.022 609 V CA -0.870 61.350 62.300 -0.132 0.000 0.850 609 V CB 1.693 33.444 31.823 -0.121 0.000 0.992 609 V HN 0.920 nan 8.190 nan 0.000 0.426 610 A N 4.710 127.426 122.820 -0.172 0.000 2.301 610 A HA 0.855 5.176 4.320 0.002 0.000 0.312 610 A C -0.658 176.715 177.584 -0.351 0.000 1.182 610 A CA -0.490 51.309 52.037 -0.397 0.000 0.826 610 A CB 1.245 19.913 19.000 -0.552 0.000 1.134 610 A HN 0.756 nan 8.150 nan 0.000 0.501 611 V N 2.473 122.161 119.914 -0.377 0.000 2.443 611 V HA 0.653 4.774 4.120 0.002 0.000 0.293 611 V C -0.308 175.669 176.094 -0.195 0.000 1.021 611 V CA -0.326 61.873 62.300 -0.170 0.000 0.848 611 V CB 0.993 32.771 31.823 -0.075 0.000 0.998 611 V HN 1.031 nan 8.190 nan 0.000 0.424 612 E N 3.495 123.686 120.200 -0.014 0.000 2.381 612 E HA 0.631 4.982 4.350 0.002 0.000 0.286 612 E C -0.776 175.878 176.600 0.089 0.000 0.960 612 E CA -0.705 55.692 56.400 -0.005 0.000 0.793 612 E CB 2.000 31.724 29.700 0.039 0.000 1.225 612 E HN 0.771 nan 8.360 nan 0.000 0.420 613 A N 3.156 125.864 122.820 -0.188 0.000 3.063 613 A HA 0.602 4.923 4.320 0.002 0.000 0.263 613 A C 0.182 177.726 177.584 -0.067 0.000 1.736 613 A CA 0.717 52.542 52.037 -0.354 0.000 1.408 613 A CB -0.510 18.159 19.000 -0.553 0.000 1.108 613 A HN 0.540 nan 8.150 nan 0.000 0.621 614 G N -0.322 108.527 108.800 0.083 0.000 2.645 614 G HA2 0.471 4.432 3.960 0.002 0.000 0.292 614 G HA3 0.471 4.432 3.960 0.002 0.000 0.292 614 G C -0.821 174.170 174.900 0.151 0.000 1.415 614 G CA -0.813 44.341 45.100 0.089 0.000 0.785 614 G HN 0.405 nan 8.290 nan 0.000 0.483 615 I N 1.395 122.029 120.570 0.106 0.000 2.741 615 I HA 0.316 4.487 4.170 0.002 0.000 0.288 615 I C 1.717 177.963 176.117 0.214 0.000 1.192 615 I CA 0.764 62.129 61.300 0.109 0.000 1.426 615 I CB 1.138 39.172 38.000 0.056 0.000 1.367 615 I HN 0.712 nan 8.210 nan 0.000 0.563 616 A N 5.056 127.992 122.820 0.194 0.000 1.969 616 A HA -0.132 4.189 4.320 0.002 0.000 0.218 616 A C 1.781 179.504 177.584 0.231 0.000 1.169 616 A CA 1.535 53.711 52.037 0.232 0.000 0.635 616 A CB -0.543 18.536 19.000 0.132 0.000 0.810 616 A HN 0.812 nan 8.150 nan 0.000 0.445 617 D N -1.717 118.815 120.400 0.221 0.000 2.263 617 D HA -0.145 4.496 4.640 0.002 0.000 0.208 617 D C 1.435 177.864 176.300 0.215 0.000 0.971 617 D CA 1.009 55.184 54.000 0.292 0.000 0.867 617 D CB -0.370 40.553 40.800 0.204 0.000 0.929 617 D HN 0.638 nan 8.370 nan 0.000 0.492 618 Y N -0.404 119.913 120.300 0.029 0.000 2.207 618 Y HA -0.223 4.328 4.550 0.002 0.000 0.287 618 Y C 1.543 177.310 175.900 -0.222 0.000 1.156 618 Y CA 1.465 59.465 58.100 -0.166 0.000 1.182 618 Y CB -0.522 37.709 38.460 -0.382 0.000 0.979 618 Y HN -0.006 nan 8.280 nan 0.000 0.521 619 W N -1.407 119.849 121.300 -0.073 0.000 2.825 619 W HA -0.070 4.591 4.660 0.002 0.000 0.243 619 W C 1.484 177.874 176.519 -0.215 0.000 1.293 619 W CA 0.439 57.719 57.345 -0.108 0.000 1.403 619 W CB -0.573 28.879 29.460 -0.014 0.000 1.134 619 W HN 0.092 nan 8.180 nan 0.000 0.666 620 Y N 0.781 121.079 120.300 -0.003 0.000 2.315 620 Y HA -0.265 4.286 4.550 0.002 0.000 0.288 620 Y C 2.439 178.258 175.900 -0.136 0.000 1.154 620 Y CA 1.629 59.707 58.100 -0.036 0.000 1.229 620 Y CB -0.692 37.730 38.460 -0.065 0.000 0.980 620 Y HN -0.032 nan 8.280 nan 0.000 0.540 621 K N -0.566 119.708 120.400 -0.209 0.000 2.152 621 K HA -0.233 4.088 4.320 0.002 0.000 0.206 621 K C 0.872 177.201 176.600 -0.452 0.000 1.048 621 K CA 1.897 57.922 56.287 -0.437 0.000 0.933 621 K CB -0.247 31.762 32.500 -0.819 0.000 0.721 621 K HN 0.369 nan 8.250 nan 0.000 0.447 622 Y N -1.242 119.077 120.300 0.032 0.000 2.498 622 Y HA 0.034 4.585 4.550 0.001 0.000 0.259 622 Y C 1.730 177.681 175.900 0.086 0.000 1.086 622 Y CA 0.158 58.321 58.100 0.106 0.000 1.287 622 Y CB 0.796 39.386 38.460 0.216 0.000 1.146 622 Y HN -0.008 nan 8.280 nan 0.000 0.523 623 V N -3.329 116.702 119.914 0.194 0.000 3.431 623 V HA 0.649 4.770 4.120 0.002 0.000 0.253 623 V C 1.144 177.290 176.094 0.086 0.000 1.184 623 V CA 0.497 62.858 62.300 0.102 0.000 1.104 623 V CB -0.339 31.502 31.823 0.030 0.000 0.799 623 V HN 0.375 nan 8.190 nan 0.000 0.462 624 G N 0.968 109.840 108.800 0.121 0.000 2.645 624 G HA2 -0.254 3.707 3.960 0.002 0.000 0.239 624 G HA3 -0.254 3.707 3.960 0.002 0.000 0.239 624 G C 0.094 175.123 174.900 0.215 0.000 1.331 624 G CA 0.100 45.281 45.100 0.135 0.000 0.890 624 G HN 0.546 nan 8.290 nan 0.000 0.572 625 L N 0.490 121.795 121.223 0.136 0.000 2.558 625 L HA 0.201 4.542 4.340 0.002 0.000 0.225 625 L C 1.711 178.640 176.870 0.098 0.000 1.128 625 L CA 0.475 55.393 54.840 0.131 0.000 0.868 625 L CB -0.158 41.928 42.059 0.046 0.000 1.006 625 L HN 0.455 nan 8.230 nan 0.000 0.454 626 N N 0.167 118.907 118.700 0.067 0.000 2.234 626 N HA 0.167 4.908 4.740 0.002 0.000 0.227 626 N C 0.532 176.055 175.510 0.021 0.000 1.151 626 N CA 0.149 53.220 53.050 0.036 0.000 0.865 626 N CB 1.327 39.825 38.487 0.018 0.000 1.066 626 N HN 0.203 nan 8.380 nan 0.000 0.515 627 G N -0.300 108.518 108.800 0.031 0.000 2.938 627 G HA2 0.788 4.749 3.960 0.002 0.000 0.258 627 G HA3 0.788 4.749 3.960 0.002 0.000 0.258 627 G C -1.183 173.705 174.900 -0.020 0.000 1.356 627 G CA -0.413 44.681 45.100 -0.010 0.000 1.052 627 G HN 0.155 nan 8.290 nan 0.000 0.550 628 A N -1.153 121.634 122.820 -0.056 0.000 2.498 628 A HA 0.790 5.111 4.320 0.002 0.000 0.298 628 A C -1.294 176.236 177.584 -0.091 0.000 1.075 628 A CA -0.547 51.455 52.037 -0.058 0.000 0.714 628 A CB 1.380 20.354 19.000 -0.044 0.000 1.299 628 A HN 0.594 nan 8.150 nan 0.000 0.407 629 I N 1.065 121.579 120.570 -0.094 0.000 2.499 629 I HA 0.364 4.535 4.170 0.002 0.000 0.288 629 I C -0.906 175.169 176.117 -0.070 0.000 1.048 629 I CA -0.861 60.378 61.300 -0.102 0.000 1.062 629 I CB 2.326 40.252 38.000 -0.122 0.000 1.238 629 I HN 0.288 nan 8.210 nan 0.000 0.426 630 V N 5.684 125.552 119.914 -0.076 0.000 2.288 630 V HA 0.714 4.835 4.120 0.002 0.000 0.266 630 V C 0.543 176.634 176.094 -0.006 0.000 1.048 630 V CA -0.031 62.206 62.300 -0.106 0.000 0.842 630 V CB 0.328 32.073 31.823 -0.129 0.000 1.064 630 V HN 0.969 nan 8.190 nan 0.000 0.472 631 G N 4.349 113.165 108.800 0.026 0.000 2.827 631 G HA2 0.657 4.618 3.960 0.002 0.000 0.296 631 G HA3 0.657 4.618 3.960 0.002 0.000 0.296 631 G C -1.119 173.927 174.900 0.243 0.000 1.362 631 G CA -0.904 44.350 45.100 0.257 0.000 0.809 631 G HN 0.234 nan 8.290 nan 0.000 0.522 632 M N 1.364 121.109 119.600 0.242 0.000 2.318 632 M HA 0.367 4.848 4.480 0.002 0.000 0.347 632 M C 0.782 177.109 176.300 0.045 0.000 1.175 632 M CA -0.314 55.050 55.300 0.106 0.000 1.075 632 M CB 1.095 33.689 32.600 -0.011 0.000 1.614 632 M HN 0.713 nan 8.290 nan 0.000 0.456 633 T N -2.686 111.876 114.554 0.014 0.000 3.111 633 T HA 0.253 4.604 4.350 0.002 0.000 0.284 633 T C 0.392 175.043 174.700 -0.081 0.000 0.983 633 T CA -0.067 62.027 62.100 -0.011 0.000 0.900 633 T CB -0.107 68.777 68.868 0.026 0.000 1.132 633 T HN 0.751 nan 8.240 nan 0.000 0.531 634 T N -1.077 113.405 114.554 -0.119 0.000 2.778 634 T HA 0.746 5.097 4.350 0.002 0.000 0.293 634 T C -0.801 173.737 174.700 -0.269 0.000 1.144 634 T CA -0.866 61.123 62.100 -0.184 0.000 1.010 634 T CB 0.771 69.667 68.868 0.047 0.000 1.325 634 T HN -0.042 nan 8.240 nan 0.000 0.515 635 F N 0.744 120.695 119.950 0.002 0.000 2.435 635 F HA 0.598 5.126 4.527 0.002 0.000 0.316 635 F C 1.672 177.436 175.800 -0.060 0.000 1.220 635 F CA 0.425 58.407 58.000 -0.029 0.000 1.241 635 F CB 0.078 39.088 39.000 0.017 0.000 1.234 635 F HN 0.983 nan 8.300 nan 0.000 0.569 636 G N -0.438 108.444 108.800 0.136 0.000 2.494 636 G HA2 0.523 4.484 3.960 0.002 0.000 0.270 636 G HA3 0.523 4.484 3.960 0.002 0.000 0.270 636 G C -0.958 174.079 174.900 0.228 0.000 1.423 636 G CA -0.484 44.639 45.100 0.037 0.000 1.055 636 G HN 0.512 nan 8.290 nan 0.000 0.536 637 E N -1.352 118.985 120.200 0.227 0.000 2.413 637 E HA 0.305 4.656 4.350 0.002 0.000 0.277 637 E C -1.348 175.306 176.600 0.091 0.000 0.958 637 E CA -0.733 55.771 56.400 0.173 0.000 0.779 637 E CB 1.983 31.796 29.700 0.187 0.000 1.278 637 E HN 0.326 nan 8.360 nan 0.000 0.456 638 S N 0.619 116.350 115.700 0.051 0.000 2.416 638 S HA 0.608 5.079 4.470 0.002 0.000 0.287 638 S C -0.743 173.865 174.600 0.013 0.000 1.139 638 S CA 0.062 58.272 58.200 0.017 0.000 1.058 638 S CB -0.306 62.897 63.200 0.005 0.000 0.967 638 S HN 0.574 nan 8.310 nan 0.000 0.495 639 A N 6.003 128.825 122.820 0.003 0.000 2.567 639 A HA 0.696 5.018 4.320 0.002 0.000 0.291 639 A C -3.255 174.322 177.584 -0.012 0.000 1.048 639 A CA -1.338 50.698 52.037 -0.002 0.000 0.661 639 A CB 0.416 19.418 19.000 0.003 0.000 1.288 639 A HN 0.552 nan 8.150 nan 0.000 0.424 640 P HA 0.255 nan 4.420 nan 0.000 0.265 640 P C 1.038 178.328 177.300 -0.018 0.000 1.187 640 P CA 0.913 64.009 63.100 -0.007 0.000 0.766 640 P CB 0.741 32.445 31.700 0.007 0.000 0.820 641 A N 3.509 126.312 122.820 -0.028 0.000 1.892 641 A HA -0.265 4.056 4.320 0.002 0.000 0.218 641 A C 2.126 179.716 177.584 0.010 0.000 1.188 641 A CA 1.939 53.928 52.037 -0.080 0.000 0.631 641 A CB -1.286 17.696 19.000 -0.029 0.000 0.822 641 A HN 0.678 nan 8.150 nan 0.000 0.447 642 E N -0.046 120.221 120.200 0.111 0.000 2.097 642 E HA -0.205 4.146 4.350 0.002 0.000 0.196 642 E C 1.896 178.582 176.600 0.144 0.000 1.000 642 E CA 1.386 57.896 56.400 0.183 0.000 0.804 642 E CB -0.235 29.535 29.700 0.116 0.000 0.740 642 E HN 0.661 nan 8.360 nan 0.000 0.454 643 L N 0.474 121.738 121.223 0.068 0.000 2.156 643 L HA -0.135 4.206 4.340 0.002 0.000 0.208 643 L C 2.570 179.462 176.870 0.037 0.000 1.095 643 L CA 0.508 55.374 54.840 0.044 0.000 0.770 643 L CB -0.292 41.774 42.059 0.012 0.000 0.914 643 L HN 0.244 nan 8.230 nan 0.000 0.439 644 L N -1.525 119.705 121.223 0.013 0.000 2.109 644 L HA -0.166 4.175 4.340 0.002 0.000 0.207 644 L C 2.510 179.487 176.870 0.178 0.000 1.086 644 L CA 1.023 55.897 54.840 0.057 0.000 0.760 644 L CB -0.494 41.566 42.059 0.003 0.000 0.910 644 L HN 0.099 nan 8.230 nan 0.000 0.437 645 F N 0.619 120.698 119.950 0.215 0.000 2.171 645 F HA -0.211 4.317 4.527 0.002 0.000 0.300 645 F C 2.584 178.539 175.800 0.258 0.000 1.090 645 F CA 1.366 59.538 58.000 0.286 0.000 1.293 645 F CB -0.470 38.628 39.000 0.164 0.000 1.013 645 F HN 0.099 nan 8.300 nan 0.000 0.486 646 E N -0.046 120.336 120.200 0.305 0.000 2.031 646 E HA -0.261 4.090 4.350 0.002 0.000 0.193 646 E C 2.134 178.774 176.600 0.066 0.000 0.994 646 E CA 1.326 57.818 56.400 0.153 0.000 0.800 646 E CB -0.110 29.643 29.700 0.088 0.000 0.752 646 E HN 0.289 nan 8.360 nan 0.000 0.447 647 E N -0.475 119.712 120.200 -0.023 0.000 2.160 647 E HA -0.178 4.173 4.350 0.002 0.000 0.195 647 E C 0.929 177.345 176.600 -0.306 0.000 0.991 647 E CA 1.162 57.424 56.400 -0.229 0.000 0.810 647 E CB -0.070 29.372 29.700 -0.429 0.000 0.742 647 E HN 0.228 nan 8.360 nan 0.000 0.466 648 F N -1.127 118.887 119.950 0.106 0.000 2.664 648 F HA 0.357 4.885 4.527 0.002 0.000 0.303 648 F C 1.463 177.203 175.800 -0.100 0.000 1.092 648 F CA 0.454 58.507 58.000 0.089 0.000 1.305 648 F CB 0.995 40.147 39.000 0.253 0.000 1.054 648 F HN 0.152 nan 8.300 nan 0.000 0.565 649 G N -0.132 108.682 108.800 0.023 0.000 2.132 649 G HA2 -0.307 3.654 3.960 0.002 0.000 0.234 649 G HA3 -0.307 3.654 3.960 0.002 0.000 0.234 649 G C 0.085 174.797 174.900 -0.313 0.000 0.989 649 G CA -0.512 44.488 45.100 -0.167 0.000 0.676 649 G HN 0.218 nan 8.290 nan 0.000 0.522 650 F N 2.722 122.767 119.950 0.159 0.000 2.606 650 F HA 0.493 5.021 4.527 0.002 0.000 0.347 650 F C 1.182 177.001 175.800 0.033 0.000 1.207 650 F CA 0.460 58.521 58.000 0.102 0.000 1.306 650 F CB 0.402 39.519 39.000 0.195 0.000 1.657 650 F HN 0.253 nan 8.300 nan 0.000 0.606 651 T N -3.586 111.005 114.554 0.062 0.000 2.900 651 T HA 0.402 4.753 4.350 0.002 0.000 0.295 651 T C 0.822 175.512 174.700 -0.018 0.000 1.044 651 T CA -0.770 61.346 62.100 0.027 0.000 0.995 651 T CB 1.705 70.585 68.868 0.021 0.000 1.072 651 T HN -0.086 nan 8.240 nan 0.000 0.473 652 V N 1.419 121.313 119.914 -0.033 0.000 2.282 652 V HA -0.194 3.927 4.120 0.002 0.000 0.249 652 V C 2.375 178.445 176.094 -0.039 0.000 1.057 652 V CA 2.238 64.505 62.300 -0.054 0.000 1.032 652 V CB -0.683 31.107 31.823 -0.056 0.000 0.645 652 V HN 0.909 nan 8.190 nan 0.000 0.447 653 D N -0.114 120.271 120.400 -0.026 0.000 2.144 653 D HA -0.170 4.471 4.640 0.002 0.000 0.199 653 D C 2.044 178.332 176.300 -0.019 0.000 0.984 653 D CA 1.631 55.619 54.000 -0.019 0.000 0.834 653 D CB -0.386 40.405 40.800 -0.016 0.000 0.955 653 D HN 0.509 nan 8.370 nan 0.000 0.465 654 N N 0.259 118.941 118.700 -0.029 0.000 2.250 654 N HA -0.104 4.637 4.740 0.002 0.000 0.181 654 N C 1.693 177.184 175.510 -0.031 0.000 1.017 654 N CA 0.520 53.546 53.050 -0.039 0.000 0.866 654 N CB 0.042 38.488 38.487 -0.068 0.000 0.985 654 N HN -0.093 nan 8.380 nan 0.000 0.429 655 V N -0.171 119.725 119.914 -0.031 0.000 2.358 655 V HA -0.153 3.968 4.120 0.002 0.000 0.246 655 V C 2.270 178.407 176.094 0.073 0.000 1.047 655 V CA 1.220 63.523 62.300 0.005 0.000 1.035 655 V CB -0.463 31.332 31.823 -0.046 0.000 0.658 655 V HN 0.162 nan 8.190 nan 0.000 0.452 656 V N 0.376 120.314 119.914 0.040 0.000 2.343 656 V HA -0.276 3.845 4.120 0.002 0.000 0.247 656 V C 2.712 178.837 176.094 0.052 0.000 1.051 656 V CA 2.100 64.443 62.300 0.070 0.000 1.036 656 V CB -1.099 30.739 31.823 0.026 0.000 0.654 656 V HN 0.566 nan 8.190 nan 0.000 0.451 657 A N -0.394 122.438 122.820 0.021 0.000 1.902 657 A HA -0.190 4.131 4.320 0.002 0.000 0.217 657 A C 2.268 179.857 177.584 0.008 0.000 1.181 657 A CA 1.592 53.633 52.037 0.008 0.000 0.623 657 A CB -0.382 18.614 19.000 -0.006 0.000 0.818 657 A HN 0.417 nan 8.150 nan 0.000 0.443 658 K N 0.038 120.444 120.400 0.011 0.000 2.097 658 K HA 0.007 4.328 4.320 0.002 0.000 0.205 658 K C 2.243 178.845 176.600 0.002 0.000 1.050 658 K CA 1.307 57.595 56.287 0.002 0.000 0.938 658 K CB -0.944 31.553 32.500 -0.005 0.000 0.718 658 K HN 0.446 nan 8.250 nan 0.000 0.442 659 A N 1.911 124.752 122.820 0.035 0.000 1.902 659 A HA -0.182 4.139 4.320 0.002 0.000 0.217 659 A C 2.092 179.657 177.584 -0.032 0.000 1.181 659 A CA 1.675 53.703 52.037 -0.014 0.000 0.623 659 A CB -0.370 18.667 19.000 0.061 0.000 0.818 659 A HN 0.276 nan 8.150 nan 0.000 0.443 660 K N -0.308 120.091 120.400 -0.002 0.000 2.209 660 K HA -0.139 4.182 4.320 0.002 0.000 0.204 660 K C 1.688 178.277 176.600 -0.019 0.000 1.048 660 K CA 1.370 57.650 56.287 -0.012 0.000 0.940 660 K CB -0.140 32.359 32.500 -0.002 0.000 0.729 660 K HN 0.626 nan 8.250 nan 0.000 0.451 661 E N 0.523 120.713 120.200 -0.017 0.000 2.338 661 E HA -0.120 4.231 4.350 0.002 0.000 0.197 661 E C 1.448 178.034 176.600 -0.023 0.000 1.007 661 E CA 0.598 56.988 56.400 -0.017 0.000 0.849 661 E CB 0.076 29.768 29.700 -0.013 0.000 0.774 661 E HN 0.294 nan 8.360 nan 0.000 0.506 662 L N 0.451 121.653 121.223 -0.036 0.000 2.529 662 L HA 0.140 4.481 4.340 0.002 0.000 0.223 662 L C 0.968 177.813 176.870 -0.041 0.000 1.113 662 L CA -0.015 54.800 54.840 -0.042 0.000 0.861 662 L CB 0.063 42.083 42.059 -0.066 0.000 1.012 662 L HN 0.051 nan 8.230 nan 0.000 0.461 663 L N 0.000 121.199 121.223 -0.039 0.000 2.949 663 L HA 0.000 4.341 4.340 0.002 0.000 0.249 663 L CA 0.000 54.818 54.840 -0.036 0.000 0.813 663 L CB 0.000 42.036 42.059 -0.039 0.000 0.961 663 L HN 0.000 nan 8.230 nan 0.000 0.502