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 2j7a_1_P DATA FIRST_RESID 26 DATA SEQUENCE GCSDVSTELK TPVYKTKLTA EEIRNSAFKP EFPKQYASYE RNDETTVMTE DATA SEQUENCE YKGSVPFNKN DNVNPLPEGY RHAQPYLKNL WLGYPFMYEY REARGHTYAI DATA SEQUENCE QDFLHIDRIN RYAEKGGLPA TCWNCKTPKM MEWVKESGDG FWAKDVNEFR DATA SEQUENCE DKIDMKDHTI GCATCHDPQT MELRITSVPL TDYLVSQGKD PKKLPRNEMR DATA SEQUENCE ALVCGQCHVE YYFNGPTMGV NKKPVFPWAE GFDPADMYRY YDKHGDLQVK DATA SEQUENCE GFEGKFADWT HPASKTPMIK AQHPEYETWI NGTHGAAGVT CADCHMSYTR DATA SEQUENCE SDDKKKISSH WWTSPMKDPE MRACRQCHSD KTPDYLKSRV LFTQKRTFDL DATA SEQUENCE LLAAQEVSVK AHEAVRLANE YQGAKAAGYD DLMIQAREMV RKGQFFWDYV DATA SEQUENCE SAENSVGFHN PAKALDTLAQ SQQFSQKAID LAMEATQYGI GKDLSGDIKT DATA SEQUENCE IVPPILKMNR KLQQDPEFMK THKWFQYLPV LPKADQVWDG QKRL 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 26 G HA2 0.000 nan 3.960 nan 0.000 0.244 26 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 26 G C 0.000 174.901 174.900 0.001 0.000 0.946 26 G CA 0.000 45.101 45.100 0.001 0.000 0.502 27 C N -0.415 118.885 119.300 0.001 0.000 2.563 27 C HA 0.723 5.183 4.460 0.001 0.000 0.358 27 C C 1.559 176.550 174.990 0.001 0.000 1.336 27 C CA -0.203 58.815 59.018 0.001 0.000 2.454 27 C CB 1.145 28.885 27.740 0.001 0.000 2.448 27 C HN 0.831 nan 8.230 nan 0.000 0.670 28 S N -0.080 115.620 115.700 0.001 0.000 2.584 28 S HA 0.102 4.573 4.470 0.001 0.000 0.273 28 S C 0.686 175.287 174.600 0.001 0.000 1.311 28 S CA -0.225 57.976 58.200 0.001 0.000 1.034 28 S CB 0.293 63.493 63.200 0.001 0.000 0.939 28 S HN 0.771 nan 8.310 nan 0.000 0.513 29 D N 2.491 122.891 120.400 0.001 0.000 2.349 29 D HA 0.085 4.726 4.640 0.001 0.000 0.214 29 D C -0.022 176.278 176.300 0.000 0.000 1.063 29 D CA 0.304 54.304 54.000 0.000 0.000 0.847 29 D CB 0.423 41.224 40.800 0.001 0.000 0.933 29 D HN 0.307 nan 8.370 nan 0.000 0.513 30 V N 2.089 122.003 119.914 0.000 0.000 2.054 30 V HA -0.018 4.103 4.120 0.001 0.000 0.243 30 V C 1.480 177.574 176.094 -0.001 0.000 1.480 30 V CA 0.319 62.618 62.300 -0.000 0.000 1.440 30 V CB 0.105 31.928 31.823 -0.000 0.000 1.489 30 V HN 0.023 nan 8.190 nan 0.000 0.502 31 S N 1.285 116.985 115.700 -0.001 0.000 2.461 31 S HA -0.033 4.438 4.470 0.001 0.000 0.228 31 S C 1.097 175.695 174.600 -0.003 0.000 1.005 31 S CA 0.508 58.707 58.200 -0.002 0.000 0.942 31 S CB 0.109 63.308 63.200 -0.001 0.000 0.776 31 S HN 0.720 nan 8.310 nan 0.000 0.514 32 T N 2.657 117.209 114.554 -0.003 0.000 2.753 32 T HA 0.290 4.641 4.350 0.001 0.000 0.297 32 T C -0.457 174.240 174.700 -0.005 0.000 0.981 32 T CA -0.393 61.705 62.100 -0.004 0.000 0.956 32 T CB 1.238 70.103 68.868 -0.004 0.000 0.936 32 T HN 0.254 nan 8.240 nan 0.000 0.463 33 E N 3.667 123.864 120.200 -0.006 0.000 2.216 33 E HA 0.320 4.670 4.350 0.001 0.000 0.279 33 E C -0.494 176.101 176.600 -0.008 0.000 0.997 33 E CA -0.706 55.691 56.400 -0.006 0.000 0.817 33 E CB 0.867 30.564 29.700 -0.005 0.000 1.096 33 E HN 0.497 nan 8.360 nan 0.000 0.393 34 L N 4.526 125.744 121.223 -0.008 0.000 2.418 34 L HA 0.193 4.534 4.340 0.001 0.000 0.274 34 L C -0.463 176.401 176.870 -0.010 0.000 1.135 34 L CA 0.572 55.406 54.840 -0.011 0.000 0.870 34 L CB 0.270 42.323 42.059 -0.010 0.000 1.154 34 L HN 0.588 nan 8.230 nan 0.000 0.462 35 K N 2.183 122.574 120.400 -0.015 0.000 2.426 35 K HA 0.333 4.653 4.320 0.001 0.000 0.251 35 K C -0.627 175.961 176.600 -0.021 0.000 0.941 35 K CA -0.701 55.576 56.287 -0.017 0.000 0.808 35 K CB 2.172 34.657 32.500 -0.024 0.000 1.265 35 K HN 0.380 nan 8.250 nan 0.000 0.432 36 T N 4.171 118.716 114.554 -0.014 0.000 2.829 36 T HA 0.103 4.453 4.350 0.001 0.000 0.293 36 T C -2.198 172.468 174.700 -0.056 0.000 0.970 36 T CA -0.803 61.291 62.100 -0.011 0.000 1.168 36 T CB -0.011 68.864 68.868 0.013 0.000 0.911 36 T HN 0.263 nan 8.240 nan 0.000 0.535 37 P HA 0.220 nan 4.420 nan 0.000 0.266 37 P C -1.005 176.073 177.300 -0.369 0.000 1.195 37 P CA -0.254 62.693 63.100 -0.256 0.000 0.768 37 P CB 0.468 32.008 31.700 -0.267 0.000 0.838 38 V N 3.565 123.203 119.914 -0.460 0.000 2.656 38 V HA 0.421 4.541 4.120 0.001 0.000 0.307 38 V C -0.852 174.981 176.094 -0.436 0.000 1.051 38 V CA -0.523 61.583 62.300 -0.324 0.000 0.893 38 V CB 1.457 33.213 31.823 -0.112 0.000 0.999 38 V HN 0.395 nan 8.190 nan 0.000 0.426 39 Y N 2.858 123.220 120.300 0.105 0.000 2.446 39 Y HA 0.706 5.256 4.550 0.001 0.000 0.345 39 Y C 0.128 176.092 175.900 0.107 0.000 0.984 39 Y CA -1.083 57.100 58.100 0.139 0.000 1.058 39 Y CB 2.027 40.630 38.460 0.238 0.000 1.220 39 Y HN 0.306 nan 8.280 nan 0.000 0.455 40 K N 2.730 123.266 120.400 0.228 0.000 2.579 40 K HA 0.334 4.655 4.320 0.001 0.000 0.250 40 K C -0.417 176.248 176.600 0.107 0.000 0.952 40 K CA -0.398 55.974 56.287 0.141 0.000 0.857 40 K CB 1.677 34.222 32.500 0.075 0.000 1.123 40 K HN 0.881 nan 8.250 nan 0.000 0.433 41 T N -1.061 113.552 114.554 0.098 0.000 2.849 41 T HA 0.357 4.708 4.350 0.001 0.000 0.276 41 T C 0.923 175.603 174.700 -0.033 0.000 0.971 41 T CA -0.541 61.569 62.100 0.017 0.000 0.949 41 T CB 1.181 70.067 68.868 0.030 0.000 1.093 41 T HN 0.184 nan 8.240 nan 0.000 0.545 42 K N -0.023 120.326 120.400 -0.086 0.000 2.393 42 K HA 0.324 4.645 4.320 0.001 0.000 0.193 42 K C 0.663 177.201 176.600 -0.104 0.000 1.026 42 K CA -0.012 56.222 56.287 -0.088 0.000 1.064 42 K CB -0.439 32.000 32.500 -0.101 0.000 0.833 42 K HN 0.572 nan 8.250 nan 0.000 0.521 43 L N 1.675 122.816 121.223 -0.137 0.000 2.464 43 L HA 0.082 4.423 4.340 0.001 0.000 0.264 43 L C 1.201 178.011 176.870 -0.101 0.000 1.199 43 L CA -0.204 54.533 54.840 -0.172 0.000 0.818 43 L CB 0.206 42.072 42.059 -0.320 0.000 1.102 43 L HN 0.066 nan 8.230 nan 0.000 0.473 44 T N -1.764 112.736 114.554 -0.091 0.000 2.847 44 T HA 0.368 4.719 4.350 0.001 0.000 0.279 44 T C 1.043 175.726 174.700 -0.029 0.000 0.984 44 T CA -0.163 61.907 62.100 -0.050 0.000 0.988 44 T CB 1.526 70.368 68.868 -0.044 0.000 1.040 44 T HN 0.643 nan 8.240 nan 0.000 0.528 45 A N 0.197 123.009 122.820 -0.012 0.000 2.019 45 A HA 0.047 4.367 4.320 0.001 0.000 0.219 45 A C 1.860 179.447 177.584 0.005 0.000 1.164 45 A CA 1.640 53.679 52.037 0.003 0.000 0.644 45 A CB -0.801 18.200 19.000 0.002 0.000 0.805 45 A HN 0.910 nan 8.150 nan 0.000 0.449 46 E N -0.017 120.178 120.200 -0.008 0.000 2.685 46 E HA 0.200 4.551 4.350 0.001 0.000 0.208 46 E C -0.135 176.460 176.600 -0.007 0.000 0.996 46 E CA -0.277 56.114 56.400 -0.015 0.000 1.054 46 E CB -0.144 29.535 29.700 -0.035 0.000 1.075 46 E HN 0.374 nan 8.360 nan 0.000 0.460 47 E N 0.465 120.669 120.200 0.007 0.000 2.366 47 E HA 0.075 4.426 4.350 0.001 0.000 0.266 47 E C 0.544 177.220 176.600 0.127 0.000 1.015 47 E CA 0.266 56.677 56.400 0.018 0.000 0.906 47 E CB 0.414 30.067 29.700 -0.078 0.000 0.979 47 E HN 0.494 nan 8.360 nan 0.000 0.443 48 I N 0.725 121.371 120.570 0.127 0.000 4.338 48 I HA 0.372 4.542 4.170 0.001 0.000 0.329 48 I C 0.120 176.378 176.117 0.236 0.000 1.378 48 I CA -0.639 60.757 61.300 0.161 0.000 1.170 48 I CB 0.446 38.451 38.000 0.008 0.000 1.206 48 I HN 0.084 nan 8.210 nan 0.000 0.432 49 R N 2.190 122.831 120.500 0.235 0.000 2.340 49 R HA 0.309 4.650 4.340 0.001 0.000 0.300 49 R C 0.636 177.102 176.300 0.276 0.000 1.069 49 R CA -0.366 55.842 56.100 0.180 0.000 0.984 49 R CB 0.443 30.788 30.300 0.075 0.000 1.003 49 R HN 0.193 nan 8.270 nan 0.000 0.459 50 N N 1.020 119.842 118.700 0.204 0.000 2.120 50 N HA -0.183 4.558 4.740 0.001 0.000 0.188 50 N C 1.663 177.385 175.510 0.354 0.000 1.024 50 N CA 1.939 55.157 53.050 0.279 0.000 0.852 50 N CB -0.219 38.395 38.487 0.213 0.000 1.003 50 N HN 0.596 nan 8.380 nan 0.000 0.424 51 S N 0.719 116.522 115.700 0.172 0.000 2.419 51 S HA -0.043 4.427 4.470 0.001 0.000 0.235 51 S C 2.056 176.622 174.600 -0.057 0.000 1.019 51 S CA 1.070 59.271 58.200 0.001 0.000 0.982 51 S CB -0.313 62.879 63.200 -0.014 0.000 0.789 51 S HN 0.344 nan 8.310 nan 0.000 0.490 52 A N 0.345 123.179 122.820 0.023 0.000 2.067 52 A HA 0.226 4.547 4.320 0.001 0.000 0.219 52 A C 1.691 179.177 177.584 -0.163 0.000 1.158 52 A CA 0.918 52.899 52.037 -0.094 0.000 0.661 52 A CB -0.784 18.131 19.000 -0.142 0.000 0.801 52 A HN 0.586 nan 8.150 nan 0.000 0.452 53 F N -0.404 119.522 119.950 -0.040 0.000 2.619 53 F HA 0.129 4.656 4.527 0.001 0.000 0.293 53 F C 2.027 177.801 175.800 -0.044 0.000 1.119 53 F CA 0.971 58.992 58.000 0.036 0.000 1.445 53 F CB -0.007 39.075 39.000 0.136 0.000 1.119 53 F HN 0.150 nan 8.300 nan 0.000 0.573 54 K N 1.038 121.335 120.400 -0.172 0.000 2.044 54 K HA -0.186 4.134 4.320 0.001 0.000 0.210 54 K C -0.838 175.637 176.600 -0.208 0.000 1.049 54 K CA 1.837 57.837 56.287 -0.478 0.000 0.927 54 K CB -1.145 30.742 32.500 -1.022 0.000 0.713 54 K HN 0.104 nan 8.250 nan 0.000 0.443 55 P HA -0.152 nan 4.420 nan 0.000 0.216 55 P C 0.561 177.738 177.300 -0.204 0.000 1.150 55 P CA 1.270 64.269 63.100 -0.168 0.000 0.837 55 P CB 0.041 31.644 31.700 -0.162 0.000 0.786 56 E N -1.445 118.586 120.200 -0.282 0.000 2.158 56 E HA 0.006 4.357 4.350 0.001 0.000 0.191 56 E C 0.290 176.393 176.600 -0.827 0.000 0.982 56 E CA 0.882 56.932 56.400 -0.583 0.000 0.823 56 E CB -0.124 29.128 29.700 -0.747 0.000 0.766 56 E HN 0.386 nan 8.360 nan 0.000 0.468 57 F N 1.158 121.100 119.950 -0.013 0.000 2.584 57 F HA 0.232 4.760 4.527 0.001 0.000 0.328 57 F C -1.752 174.069 175.800 0.034 0.000 1.407 57 F CA -1.765 56.233 58.000 -0.005 0.000 1.145 57 F CB 1.544 40.520 39.000 -0.041 0.000 1.440 57 F HN -0.120 nan 8.300 nan 0.000 0.580 58 P HA -0.125 nan 4.420 nan 0.000 0.221 58 P C 1.087 178.471 177.300 0.139 0.000 1.150 58 P CA 1.328 64.493 63.100 0.108 0.000 0.800 58 P CB 0.389 32.108 31.700 0.032 0.000 0.787 59 K N -0.045 120.428 120.400 0.122 0.000 2.001 59 K HA -0.140 4.181 4.320 0.001 0.000 0.208 59 K C 2.376 179.021 176.600 0.075 0.000 1.048 59 K CA 1.469 57.813 56.287 0.096 0.000 0.932 59 K CB -0.370 32.188 32.500 0.096 0.000 0.715 59 K HN 0.044 nan 8.250 nan 0.000 0.437 60 Q N -0.472 119.355 119.800 0.044 0.000 2.230 60 Q HA -0.107 4.234 4.340 0.001 0.000 0.202 60 Q C 1.707 177.636 176.000 -0.119 0.000 0.963 60 Q CA 1.186 56.906 55.803 -0.140 0.000 0.866 60 Q CB -0.241 28.244 28.738 -0.420 0.000 0.931 60 Q HN 0.344 nan 8.270 nan 0.000 0.452 61 Y N 0.398 120.672 120.300 -0.044 0.000 2.163 61 Y HA -0.187 4.363 4.550 0.001 0.000 0.288 61 Y C 2.172 178.127 175.900 0.092 0.000 1.136 61 Y CA 1.392 59.519 58.100 0.045 0.000 1.147 61 Y CB -0.251 38.248 38.460 0.065 0.000 0.987 61 Y HN 0.138 nan 8.280 nan 0.000 0.509 62 A N -1.583 121.349 122.820 0.186 0.000 2.019 62 A HA -0.176 4.145 4.320 0.001 0.000 0.219 62 A C 2.399 179.958 177.584 -0.042 0.000 1.164 62 A CA 1.733 53.814 52.037 0.073 0.000 0.644 62 A CB -1.078 17.957 19.000 0.058 0.000 0.805 62 A HN 0.460 nan 8.150 nan 0.000 0.449 63 S N -1.739 113.942 115.700 -0.031 0.000 2.355 63 S HA -0.183 4.287 4.470 0.001 0.000 0.222 63 S C 1.900 176.420 174.600 -0.134 0.000 1.031 63 S CA 1.487 59.650 58.200 -0.063 0.000 0.993 63 S CB -0.556 62.656 63.200 0.020 0.000 0.859 63 S HN 0.711 nan 8.310 nan 0.000 0.453 64 Y N 2.170 122.307 120.300 -0.271 0.000 2.207 64 Y HA -0.139 4.412 4.550 0.001 0.000 0.287 64 Y C 1.987 177.708 175.900 -0.297 0.000 1.156 64 Y CA 2.291 60.189 58.100 -0.337 0.000 1.182 64 Y CB -0.599 37.612 38.460 -0.414 0.000 0.979 64 Y HN 0.397 nan 8.280 nan 0.000 0.521 65 E N 0.032 119.984 120.200 -0.414 0.000 2.209 65 E HA -0.231 4.120 4.350 0.001 0.000 0.196 65 E C 2.079 178.425 176.600 -0.424 0.000 0.993 65 E CA 1.132 57.282 56.400 -0.416 0.000 0.819 65 E CB -0.161 29.429 29.700 -0.184 0.000 0.745 65 E HN 0.578 nan 8.360 nan 0.000 0.477 66 R N 0.904 121.103 120.500 -0.501 0.000 2.170 66 R HA -0.109 4.232 4.340 0.001 0.000 0.242 66 R C 1.774 177.655 176.300 -0.699 0.000 1.145 66 R CA 0.947 56.567 56.100 -0.799 0.000 0.984 66 R CB -0.386 29.108 30.300 -1.342 0.000 0.869 66 R HN 0.201 nan 8.270 nan 0.000 0.455 67 N N 1.219 119.691 118.700 -0.379 0.000 2.417 67 N HA -0.162 4.578 4.740 0.001 0.000 0.187 67 N C 0.737 176.232 175.510 -0.025 0.000 1.027 67 N CA 1.173 54.204 53.050 -0.032 0.000 0.891 67 N CB -0.198 38.268 38.487 -0.035 0.000 0.956 67 N HN 0.256 nan 8.380 nan 0.000 0.442 68 D N 1.022 121.309 120.400 -0.188 0.000 2.218 68 D HA -0.106 4.535 4.640 0.001 0.000 0.204 68 D C 0.795 177.194 176.300 0.165 0.000 0.976 68 D CA 0.592 54.542 54.000 -0.084 0.000 0.853 68 D CB -0.168 40.529 40.800 -0.173 0.000 0.939 68 D HN 0.264 nan 8.370 nan 0.000 0.481 69 E N 0.731 120.964 120.200 0.055 0.000 2.493 69 E HA -0.053 4.297 4.350 0.001 0.000 0.255 69 E C -0.173 176.535 176.600 0.180 0.000 0.999 69 E CA 0.703 57.160 56.400 0.095 0.000 0.934 69 E CB 0.489 30.226 29.700 0.061 0.000 0.940 69 E HN -0.074 nan 8.360 nan 0.000 0.473 70 T N 2.383 117.003 114.554 0.111 0.000 3.571 70 T HA 0.118 4.469 4.350 0.001 0.000 0.292 70 T C 0.577 175.279 174.700 0.004 0.000 0.994 70 T CA 0.380 62.499 62.100 0.033 0.000 0.996 70 T CB -0.144 68.645 68.868 -0.130 0.000 1.185 70 T HN 0.505 nan 8.240 nan 0.000 0.482 71 T N -2.033 112.540 114.554 0.032 0.000 2.986 71 T HA 0.404 4.755 4.350 0.001 0.000 0.264 71 T C 0.271 174.979 174.700 0.013 0.000 0.964 71 T CA -0.043 62.065 62.100 0.014 0.000 0.895 71 T CB 0.379 69.257 68.868 0.016 0.000 1.163 71 T HN 0.111 nan 8.240 nan 0.000 0.517 72 V N 3.814 123.748 119.914 0.035 0.000 2.394 72 V HA 0.575 4.696 4.120 0.001 0.000 0.282 72 V C -0.309 175.781 176.094 -0.006 0.000 1.031 72 V CA -0.654 61.663 62.300 0.028 0.000 0.881 72 V CB 1.324 33.191 31.823 0.073 0.000 0.982 72 V HN 0.439 nan 8.190 nan 0.000 0.451 73 M N 4.015 123.590 119.600 -0.041 0.000 2.472 73 M HA 0.478 4.959 4.480 0.001 0.000 0.331 73 M C 0.410 176.686 176.300 -0.040 0.000 1.170 73 M CA -0.295 54.952 55.300 -0.088 0.000 1.009 73 M CB 1.883 34.362 32.600 -0.202 0.000 1.672 73 M HN 0.847 nan 8.290 nan 0.000 0.453 74 T N -1.595 112.938 114.554 -0.034 0.000 2.946 74 T HA 0.343 4.693 4.350 0.001 0.000 0.295 74 T C 1.035 175.743 174.700 0.013 0.000 1.143 74 T CA -0.264 61.827 62.100 -0.014 0.000 0.944 74 T CB 0.883 69.738 68.868 -0.022 0.000 1.800 74 T HN 0.590 nan 8.240 nan 0.000 0.590 75 E N -0.222 119.972 120.200 -0.011 0.000 2.017 75 E HA -0.073 4.278 4.350 0.001 0.000 0.193 75 E C 1.534 178.043 176.600 -0.152 0.000 0.997 75 E CA 1.746 58.083 56.400 -0.105 0.000 0.804 75 E CB -0.492 29.093 29.700 -0.193 0.000 0.757 75 E HN 0.750 nan 8.360 nan 0.000 0.448 76 Y N -0.946 119.379 120.300 0.041 0.000 2.535 76 Y HA 0.272 4.823 4.550 0.001 0.000 0.266 76 Y C 0.987 176.932 175.900 0.075 0.000 1.088 76 Y CA -0.151 57.943 58.100 -0.010 0.000 1.285 76 Y CB 0.649 39.000 38.460 -0.182 0.000 1.166 76 Y HN -0.172 nan 8.280 nan 0.000 0.525 77 K N -0.402 120.094 120.400 0.160 0.000 2.082 77 K HA 0.793 5.113 4.320 0.001 0.000 0.246 77 K C 0.041 176.653 176.600 0.019 0.000 1.061 77 K CA -0.023 56.327 56.287 0.106 0.000 0.952 77 K CB 0.791 33.343 32.500 0.087 0.000 1.513 77 K HN 0.144 nan 8.250 nan 0.000 0.631 78 G N -0.361 108.447 108.800 0.013 0.000 2.354 78 G HA2 -0.090 3.870 3.960 0.001 0.000 0.582 78 G HA3 -0.090 3.870 3.960 0.001 0.000 0.582 78 G C -0.570 174.335 174.900 0.009 0.000 1.316 78 G CA -0.366 44.727 45.100 -0.013 0.000 0.995 78 G HN 0.233 nan 8.290 nan 0.000 0.573 79 S N -0.731 114.979 115.700 0.017 0.000 2.582 79 S HA 0.354 4.825 4.470 0.001 0.000 0.234 79 S C 0.546 175.144 174.600 -0.003 0.000 0.961 79 S CA 0.136 58.356 58.200 0.034 0.000 0.953 79 S CB 0.586 63.843 63.200 0.096 0.000 0.800 79 S HN 0.843 nan 8.310 nan 0.000 0.471 80 V N 5.009 124.921 119.914 -0.002 0.000 2.385 80 V HA 0.244 4.364 4.120 0.001 0.000 0.269 80 V C -2.059 174.052 176.094 0.029 0.000 1.043 80 V CA -1.833 60.470 62.300 0.004 0.000 0.906 80 V CB 0.837 32.661 31.823 0.002 0.000 0.995 80 V HN 0.125 nan 8.190 nan 0.000 0.467 81 P HA 0.095 nan 4.420 nan 0.000 0.225 81 P C -0.110 177.145 177.300 -0.074 0.000 1.768 81 P CA -0.268 62.768 63.100 -0.108 0.000 0.943 81 P CB -0.603 31.022 31.700 -0.126 0.000 1.936 82 F N -0.680 119.230 119.950 -0.067 0.000 2.440 82 F HA 0.313 4.841 4.527 0.001 0.000 0.323 82 F C 0.426 176.225 175.800 -0.001 0.000 1.192 82 F CA -0.927 57.057 58.000 -0.025 0.000 1.252 82 F CB -0.124 38.868 39.000 -0.014 0.000 1.214 82 F HN -0.142 nan 8.300 nan 0.000 0.578 83 N N 2.464 121.266 118.700 0.169 0.000 2.442 83 N HA 0.055 4.795 4.740 0.001 0.000 0.265 83 N C 0.359 175.986 175.510 0.195 0.000 1.138 83 N CA -0.247 52.865 53.050 0.103 0.000 0.956 83 N CB 1.410 40.004 38.487 0.178 0.000 1.067 83 N HN 0.673 nan 8.380 nan 0.000 0.474 84 K N 1.120 121.525 120.400 0.008 0.000 2.366 84 K HA -0.055 4.266 4.320 0.001 0.000 0.198 84 K C 1.171 177.980 176.600 0.348 0.000 1.044 84 K CA 0.570 56.926 56.287 0.115 0.000 0.973 84 K CB 0.149 32.586 32.500 -0.106 0.000 0.767 84 K HN 0.542 nan 8.250 nan 0.000 0.475 85 N N 0.480 119.365 118.700 0.310 0.000 2.336 85 N HA -0.091 4.650 4.740 0.001 0.000 0.189 85 N C -0.396 175.238 175.510 0.208 0.000 1.113 85 N CA 0.437 53.634 53.050 0.245 0.000 0.858 85 N CB 0.241 38.863 38.487 0.224 0.000 0.970 85 N HN -0.072 nan 8.380 nan 0.000 0.471 86 D N 1.509 122.065 120.400 0.261 0.000 2.427 86 D HA 0.110 4.751 4.640 0.001 0.000 0.226 86 D C -0.262 176.137 176.300 0.165 0.000 1.076 86 D CA -0.457 53.661 54.000 0.197 0.000 0.849 86 D CB 0.376 41.297 40.800 0.200 0.000 1.052 86 D HN 0.246 nan 8.370 nan 0.000 0.515 87 N N 3.139 121.891 118.700 0.087 0.000 2.282 87 N HA 0.021 4.762 4.740 0.001 0.000 0.240 87 N C 0.182 175.680 175.510 -0.019 0.000 1.182 87 N CA -0.200 52.863 53.050 0.021 0.000 0.874 87 N CB 0.458 38.959 38.487 0.023 0.000 1.126 87 N HN 0.179 nan 8.380 nan 0.000 0.516 88 V N -0.441 119.476 119.914 0.005 0.000 2.911 88 V HA 0.183 4.303 4.120 0.001 0.000 0.237 88 V C 0.442 176.534 176.094 -0.003 0.000 1.156 88 V CA 0.278 62.575 62.300 -0.005 0.000 1.180 88 V CB -0.185 31.644 31.823 0.010 0.000 0.932 88 V HN 0.250 nan 8.190 nan 0.000 0.483 89 N N 2.036 120.748 118.700 0.020 0.000 2.524 89 N HA 0.325 5.065 4.740 0.001 0.000 0.283 89 N C -2.584 172.931 175.510 0.009 0.000 1.142 89 N CA -1.112 51.951 53.050 0.021 0.000 0.984 89 N CB 0.977 39.491 38.487 0.045 0.000 1.155 89 N HN 0.214 nan 8.380 nan 0.000 0.467 90 P HA 0.165 nan 4.420 nan 0.000 0.276 90 P C 0.139 177.449 177.300 0.017 0.000 1.261 90 P CA -0.413 62.683 63.100 -0.005 0.000 0.800 90 P CB 0.906 32.600 31.700 -0.010 0.000 1.066 91 L N 1.936 123.169 121.223 0.016 0.000 2.543 91 L HA -0.012 4.329 4.340 0.001 0.000 0.285 91 L C -0.573 176.311 176.870 0.022 0.000 1.236 91 L CA -0.687 54.165 54.840 0.020 0.000 0.871 91 L CB -0.394 41.666 42.059 0.001 0.000 1.121 91 L HN 0.419 nan 8.230 nan 0.000 0.501 92 P HA 0.026 nan 4.420 nan 0.000 0.257 92 P C 0.678 178.044 177.300 0.111 0.000 1.281 92 P CA 0.277 63.412 63.100 0.058 0.000 0.826 92 P CB 0.442 32.161 31.700 0.032 0.000 1.237 93 E N 0.382 120.641 120.200 0.099 0.000 2.060 93 E HA 0.117 4.468 4.350 0.001 0.000 0.189 93 E C 0.950 177.663 176.600 0.187 0.000 0.974 93 E CA 0.623 57.097 56.400 0.122 0.000 0.808 93 E CB 0.038 29.788 29.700 0.083 0.000 0.768 93 E HN 0.232 nan 8.360 nan 0.000 0.453 94 G N -1.416 107.468 108.800 0.141 0.000 3.140 94 G HA2 0.476 4.437 3.960 0.001 0.000 0.271 94 G HA3 0.476 4.437 3.960 0.001 0.000 0.271 94 G C -1.859 173.018 174.900 -0.037 0.000 1.370 94 G CA -0.522 44.663 45.100 0.142 0.000 1.014 94 G HN 0.214 nan 8.290 nan 0.000 0.541 95 Y N -0.854 119.226 120.300 -0.366 0.000 2.581 95 Y HA 0.325 4.875 4.550 0.001 0.000 0.337 95 Y C 1.744 177.430 175.900 -0.358 0.000 1.108 95 Y CA -1.030 56.721 58.100 -0.582 0.000 1.033 95 Y CB 1.663 39.309 38.460 -1.357 0.000 1.318 95 Y HN 0.640 nan 8.280 nan 0.000 0.459 96 R N 0.561 120.473 120.500 -0.981 0.000 2.159 96 R HA -0.092 4.249 4.340 0.001 0.000 0.237 96 R C -0.741 175.136 176.300 -0.704 0.000 1.131 96 R CA 1.595 57.203 56.100 -0.820 0.000 0.982 96 R CB -0.509 29.214 30.300 -0.962 0.000 0.868 96 R HN 0.599 nan 8.270 nan 0.000 0.453 97 H N 0.280 119.007 119.070 -0.573 0.000 2.683 97 H HA 0.602 5.159 4.556 0.001 0.000 0.270 97 H C -0.529 174.925 175.328 0.210 0.000 1.201 97 H CA -0.401 55.535 56.048 -0.187 0.000 1.277 97 H CB 1.435 30.882 29.762 -0.525 0.000 1.400 97 H HN 0.375 nan 8.280 nan 0.000 0.504 98 A N 2.444 125.553 122.820 0.482 0.000 2.486 98 A HA 0.499 4.820 4.320 0.001 0.000 0.289 98 A C -0.931 176.924 177.584 0.452 0.000 1.176 98 A CA -1.025 51.330 52.037 0.530 0.000 0.757 98 A CB 1.518 20.740 19.000 0.370 0.000 1.337 98 A HN 0.671 nan 8.150 nan 0.000 0.423 99 Q N 0.868 120.861 119.800 0.323 0.000 2.508 99 Q HA 0.287 4.628 4.340 0.001 0.000 0.247 99 Q C -2.073 173.959 176.000 0.052 0.000 1.047 99 Q CA -1.853 54.022 55.803 0.120 0.000 0.783 99 Q CB 1.666 30.457 28.738 0.089 0.000 1.172 99 Q HN 0.501 nan 8.270 nan 0.000 0.515 100 P HA -0.193 nan 4.420 nan 0.000 0.228 100 P C 0.109 177.321 177.300 -0.147 0.000 1.151 100 P CA 1.252 64.291 63.100 -0.102 0.000 0.770 100 P CB 0.170 31.736 31.700 -0.223 0.000 0.786 101 Y N -1.057 119.175 120.300 -0.114 0.000 2.458 101 Y HA 0.177 4.728 4.550 0.001 0.000 0.256 101 Y C 2.357 178.137 175.900 -0.201 0.000 1.159 101 Y CA -0.497 57.507 58.100 -0.160 0.000 1.261 101 Y CB -0.045 38.290 38.460 -0.207 0.000 1.119 101 Y HN -0.222 nan 8.280 nan 0.000 0.524 102 L N 0.080 121.251 121.223 -0.086 0.000 1.990 102 L HA -0.310 4.031 4.340 0.001 0.000 0.213 102 L C 2.119 178.902 176.870 -0.145 0.000 1.072 102 L CA 1.755 56.381 54.840 -0.358 0.000 0.755 102 L CB -0.448 41.463 42.059 -0.248 0.000 0.889 102 L HN 0.221 nan 8.230 nan 0.000 0.432 103 K N -0.042 120.432 120.400 0.122 0.000 2.147 103 K HA -0.170 4.151 4.320 0.001 0.000 0.205 103 K C 1.790 178.525 176.600 0.224 0.000 1.049 103 K CA 1.678 58.104 56.287 0.232 0.000 0.936 103 K CB -0.279 32.362 32.500 0.234 0.000 0.722 103 K HN 0.348 nan 8.250 nan 0.000 0.446 104 N N 1.015 119.822 118.700 0.178 0.000 2.084 104 N HA -0.126 4.614 4.740 0.001 0.000 0.190 104 N C 1.639 177.405 175.510 0.427 0.000 1.030 104 N CA 1.052 54.250 53.050 0.246 0.000 0.849 104 N CB -0.166 38.343 38.487 0.036 0.000 1.012 104 N HN 0.075 nan 8.380 nan 0.000 0.423 105 L N -1.263 120.091 121.223 0.219 0.000 2.313 105 L HA 0.022 4.363 4.340 0.001 0.000 0.214 105 L C 0.727 177.884 176.870 0.479 0.000 1.119 105 L CA 0.389 55.386 54.840 0.262 0.000 0.809 105 L CB -0.016 42.135 42.059 0.153 0.000 0.933 105 L HN 0.334 nan 8.230 nan 0.000 0.449 106 W N -0.163 121.354 121.300 0.362 0.000 3.102 106 W HA 0.293 4.954 4.660 0.001 0.000 0.401 106 W C 0.187 176.718 176.519 0.020 0.000 1.070 106 W CA -1.590 55.849 57.345 0.157 0.000 1.921 106 W CB -0.529 28.956 29.460 0.042 0.000 1.118 106 W HN -0.078 nan 8.180 nan 0.000 0.647 107 L N 1.673 123.057 121.223 0.268 0.000 2.615 107 L HA 0.208 4.549 4.340 0.001 0.000 0.284 107 L C 1.475 178.350 176.870 0.009 0.000 1.237 107 L CA 2.299 57.177 54.840 0.062 0.000 0.905 107 L CB 0.277 42.292 42.059 -0.073 0.000 1.149 107 L HN 0.482 nan 8.230 nan 0.000 0.499 108 G N 2.174 110.966 108.800 -0.013 0.000 2.162 108 G HA2 -0.340 3.621 3.960 0.001 0.000 0.260 108 G HA3 -0.340 3.621 3.960 0.001 0.000 0.260 108 G C -0.258 174.599 174.900 -0.072 0.000 0.976 108 G CA 0.345 45.463 45.100 0.030 0.000 0.655 108 G HN 0.761 nan 8.290 nan 0.000 0.533 109 Y N -0.133 119.856 120.300 -0.517 0.000 2.524 109 Y HA 0.600 5.151 4.550 0.001 0.000 0.344 109 Y C -1.822 173.815 175.900 -0.439 0.000 1.012 109 Y CA -2.053 55.634 58.100 -0.689 0.000 1.068 109 Y CB 1.983 39.539 38.460 -1.507 0.000 1.249 109 Y HN -0.063 nan 8.280 nan 0.000 0.468 110 P HA -0.157 nan 4.420 nan 0.000 0.218 110 P C 1.078 178.214 177.300 -0.273 0.000 1.146 110 P CA 1.631 64.511 63.100 -0.367 0.000 0.813 110 P CB -0.003 31.486 31.700 -0.352 0.000 0.778 111 F N -1.226 118.494 119.950 -0.383 0.000 2.546 111 F HA -0.044 4.484 4.527 0.002 0.000 0.298 111 F C 2.292 178.148 175.800 0.093 0.000 1.120 111 F CA 0.921 58.800 58.000 -0.201 0.000 1.456 111 F CB -0.813 37.797 39.000 -0.650 0.000 1.088 111 F HN -0.073 nan 8.300 nan 0.000 0.572 112 M N -1.337 118.312 119.600 0.083 0.000 2.296 112 M HA -0.231 4.249 4.480 0.001 0.000 0.265 112 M C 1.397 177.699 176.300 0.004 0.000 1.064 112 M CA 1.922 57.242 55.300 0.033 0.000 1.109 112 M CB -0.296 32.195 32.600 -0.181 0.000 1.396 112 M HN 0.230 nan 8.290 nan 0.000 0.430 113 Y N -0.025 120.345 120.300 0.117 0.000 2.231 113 Y HA 0.164 4.715 4.550 0.002 0.000 0.294 113 Y C 0.720 176.674 175.900 0.090 0.000 1.120 113 Y CA 0.344 58.489 58.100 0.075 0.000 1.141 113 Y CB 0.398 38.862 38.460 0.006 0.000 1.022 113 Y HN 0.255 nan 8.280 nan 0.000 0.523 114 E N -0.964 119.373 120.200 0.229 0.000 2.347 114 E HA 0.225 4.575 4.350 0.001 0.000 0.285 114 E C -2.235 174.474 176.600 0.181 0.000 0.925 114 E CA -0.691 55.815 56.400 0.177 0.000 0.779 114 E CB 1.737 31.502 29.700 0.108 0.000 1.233 114 E HN 0.021 nan 8.360 nan 0.000 0.414 115 Y N 4.007 124.362 120.300 0.091 0.000 2.287 115 Y HA 0.458 5.008 4.550 0.001 0.000 0.321 115 Y C -1.710 174.251 175.900 0.101 0.000 1.173 115 Y CA -0.528 57.643 58.100 0.118 0.000 1.124 115 Y CB 0.888 39.576 38.460 0.380 0.000 1.201 115 Y HN 0.544 nan 8.280 nan 0.000 0.421 116 R N 2.526 122.860 120.500 -0.277 0.000 2.892 116 R HA 0.386 4.727 4.340 0.001 0.000 0.265 116 R C -0.949 175.038 176.300 -0.521 0.000 1.025 116 R CA -1.469 54.403 56.100 -0.380 0.000 0.982 116 R CB 1.768 31.959 30.300 -0.182 0.000 1.185 116 R HN 0.663 nan 8.270 nan 0.000 0.484 117 E N 1.372 121.198 120.200 -0.623 0.000 2.415 117 E HA 0.114 4.465 4.350 0.001 0.000 0.263 117 E C -0.892 175.584 176.600 -0.206 0.000 0.995 117 E CA 0.060 56.176 56.400 -0.473 0.000 0.915 117 E CB 0.780 30.114 29.700 -0.609 0.000 0.951 117 E HN 0.575 nan 8.360 nan 0.000 0.449 118 A N 5.276 128.049 122.820 -0.079 0.000 2.462 118 A HA 0.438 4.759 4.320 0.001 0.000 0.243 118 A C 0.267 177.866 177.584 0.026 0.000 1.076 118 A CA 0.148 52.198 52.037 0.021 0.000 0.773 118 A CB 0.183 19.242 19.000 0.099 0.000 1.010 118 A HN 0.829 nan 8.150 nan 0.000 0.493 119 R N 1.411 121.946 120.500 0.058 0.000 3.236 119 R HA 0.712 5.053 4.340 0.001 0.000 0.234 119 R C 0.506 176.913 176.300 0.177 0.000 1.541 119 R CA -0.315 55.836 56.100 0.086 0.000 1.038 119 R CB -0.041 30.267 30.300 0.013 0.000 1.587 119 R HN 0.813 nan 8.270 nan 0.000 0.515 120 G N -0.455 108.509 108.800 0.273 0.000 2.484 120 G HA2 0.008 3.969 3.960 0.001 0.000 0.235 120 G HA3 0.008 3.969 3.960 0.001 0.000 0.235 120 G C 0.026 175.105 174.900 0.298 0.000 1.282 120 G CA -0.223 45.040 45.100 0.272 0.000 0.857 120 G HN 0.722 nan 8.290 nan 0.000 0.571 121 H N 0.195 119.432 119.070 0.279 0.000 2.489 121 H HA -0.154 4.403 4.556 0.001 0.000 0.295 121 H C 2.670 178.081 175.328 0.138 0.000 1.082 121 H CA 1.459 57.632 56.048 0.208 0.000 1.295 121 H CB 0.286 30.208 29.762 0.266 0.000 1.380 121 H HN 0.618 nan 8.280 nan 0.000 0.548 122 T N -1.874 112.750 114.554 0.117 0.000 3.035 122 T HA -0.145 4.205 4.350 0.001 0.000 0.268 122 T C 1.117 175.709 174.700 -0.179 0.000 1.109 122 T CA 0.799 62.818 62.100 -0.135 0.000 1.119 122 T CB -0.225 68.368 68.868 -0.458 0.000 0.900 122 T HN 0.376 nan 8.240 nan 0.000 0.503 123 Y N 0.870 121.233 120.300 0.105 0.000 2.457 123 Y HA 0.651 5.201 4.550 0.001 0.000 0.263 123 Y C 2.494 178.467 175.900 0.122 0.000 1.164 123 Y CA -0.711 57.448 58.100 0.099 0.000 1.274 123 Y CB -0.511 37.993 38.460 0.074 0.000 1.097 123 Y HN 0.266 nan 8.280 nan 0.000 0.523 124 A N 0.830 123.796 122.820 0.244 0.000 1.873 124 A HA -0.226 4.095 4.320 0.001 0.000 0.218 124 A C 2.116 179.811 177.584 0.184 0.000 1.193 124 A CA 2.220 54.365 52.037 0.180 0.000 0.629 124 A CB -0.854 18.204 19.000 0.098 0.000 0.826 124 A HN 0.477 nan 8.150 nan 0.000 0.447 125 I N -0.946 119.743 120.570 0.199 0.000 2.353 125 I HA -0.234 3.936 4.170 0.001 0.000 0.248 125 I C 2.767 179.078 176.117 0.324 0.000 1.119 125 I CA 1.477 62.940 61.300 0.272 0.000 1.417 125 I CB -0.366 37.821 38.000 0.311 0.000 1.078 125 I HN 0.555 nan 8.210 nan 0.000 0.421 126 Q N 1.102 121.078 119.800 0.292 0.000 2.061 126 Q HA -0.265 4.075 4.340 0.001 0.000 0.204 126 Q C 1.616 177.803 176.000 0.312 0.000 0.984 126 Q CA 2.030 58.019 55.803 0.310 0.000 0.846 126 Q CB 0.052 28.965 28.738 0.291 0.000 0.902 126 Q HN 0.420 nan 8.270 nan 0.000 0.421 127 D N -0.370 120.189 120.400 0.266 0.000 2.149 127 D HA -0.117 4.524 4.640 0.001 0.000 0.201 127 D C 1.514 177.939 176.300 0.208 0.000 0.972 127 D CA 0.574 54.695 54.000 0.202 0.000 0.835 127 D CB -0.267 40.631 40.800 0.162 0.000 0.966 127 D HN 0.241 nan 8.370 nan 0.000 0.476 128 F N 1.167 121.138 119.950 0.035 0.000 2.126 128 F HA -0.092 4.436 4.527 0.001 0.000 0.299 128 F C 1.973 177.718 175.800 -0.092 0.000 1.096 128 F CA 1.152 59.107 58.000 -0.075 0.000 1.255 128 F CB -0.149 38.753 39.000 -0.163 0.000 0.997 128 F HN -0.103 nan 8.300 nan 0.000 0.479 129 L N -1.359 119.884 121.223 0.033 0.000 2.592 129 L HA -0.027 4.314 4.340 0.001 0.000 0.227 129 L C 1.047 177.788 176.870 -0.215 0.000 1.127 129 L CA 0.347 55.114 54.840 -0.122 0.000 0.884 129 L CB -0.464 41.614 42.059 0.030 0.000 1.065 129 L HN 0.121 nan 8.230 nan 0.000 0.457 130 H N -1.362 117.683 119.070 -0.041 0.000 2.705 130 H HA 0.212 4.769 4.556 0.001 0.000 0.269 130 H C 0.222 175.514 175.328 -0.060 0.000 0.998 130 H CA -0.472 55.557 56.048 -0.032 0.000 1.193 130 H CB 0.724 30.493 29.762 0.011 0.000 1.485 130 H HN 0.028 nan 8.280 nan 0.000 0.521 131 I N 1.134 121.683 120.570 -0.035 0.000 2.588 131 I HA -0.076 4.095 4.170 0.001 0.000 0.283 131 I C 1.028 177.080 176.117 -0.109 0.000 1.119 131 I CA 0.289 61.547 61.300 -0.070 0.000 1.419 131 I CB 0.847 38.783 38.000 -0.107 0.000 1.394 131 I HN 0.117 nan 8.210 nan 0.000 0.562 132 D N 4.707 125.080 120.400 -0.046 0.000 2.349 132 D HA 0.012 4.653 4.640 0.001 0.000 0.224 132 D C 1.738 178.005 176.300 -0.056 0.000 1.029 132 D CA 0.788 54.763 54.000 -0.040 0.000 0.879 132 D CB 0.284 41.099 40.800 0.025 0.000 0.906 132 D HN 0.478 nan 8.370 nan 0.000 0.528 133 R N -0.280 120.179 120.500 -0.070 0.000 2.090 133 R HA 0.072 4.413 4.340 0.001 0.000 0.228 133 R C 0.554 176.790 176.300 -0.107 0.000 1.110 133 R CA 0.507 56.571 56.100 -0.061 0.000 0.973 133 R CB 0.101 30.262 30.300 -0.232 0.000 0.869 133 R HN 0.259 nan 8.270 nan 0.000 0.440 134 I N 2.549 123.002 120.570 -0.195 0.000 2.416 134 I HA -0.018 4.152 4.170 0.001 0.000 0.288 134 I C 0.231 176.251 176.117 -0.161 0.000 1.051 134 I CA -0.532 60.634 61.300 -0.223 0.000 1.375 134 I CB 0.605 38.367 38.000 -0.397 0.000 1.407 134 I HN -0.023 nan 8.210 nan 0.000 0.516 135 N N 6.011 124.649 118.700 -0.103 0.000 2.452 135 N HA 0.045 4.786 4.740 0.001 0.000 0.266 135 N C 0.361 175.860 175.510 -0.019 0.000 1.209 135 N CA 0.539 53.570 53.050 -0.033 0.000 0.929 135 N CB 0.456 38.950 38.487 0.011 0.000 1.063 135 N HN 0.433 nan 8.380 nan 0.000 0.472 136 R N 2.747 123.229 120.500 -0.031 0.000 2.508 136 R HA 0.124 4.465 4.340 0.001 0.000 0.300 136 R C -0.061 176.082 176.300 -0.263 0.000 0.970 136 R CA 0.078 56.122 56.100 -0.093 0.000 1.102 136 R CB 0.426 30.582 30.300 -0.241 0.000 1.246 136 R HN 0.574 nan 8.270 nan 0.000 0.539 137 Y N -0.064 120.244 120.300 0.013 0.000 2.607 137 Y HA 0.482 5.032 4.550 0.001 0.000 0.266 137 Y C 0.535 176.435 175.900 -0.000 0.000 1.178 137 Y CA -0.482 57.611 58.100 -0.013 0.000 1.226 137 Y CB 1.030 39.460 38.460 -0.050 0.000 1.144 137 Y HN -0.010 nan 8.280 nan 0.000 0.528 138 A N -0.645 122.251 122.820 0.128 0.000 2.609 138 A HA 0.490 4.811 4.320 0.001 0.000 0.291 138 A C 0.535 178.212 177.584 0.155 0.000 1.096 138 A CA -0.585 51.513 52.037 0.101 0.000 0.684 138 A CB 1.045 20.098 19.000 0.090 0.000 1.282 138 A HN 0.061 nan 8.150 nan 0.000 0.412 139 E N 0.722 120.994 120.200 0.120 0.000 2.085 139 E HA -0.109 4.241 4.350 0.001 0.000 0.194 139 E C 0.298 177.050 176.600 0.252 0.000 0.994 139 E CA 1.727 58.253 56.400 0.210 0.000 0.801 139 E CB -0.075 29.684 29.700 0.097 0.000 0.743 139 E HN 0.510 nan 8.360 nan 0.000 0.453 140 K N -0.756 119.720 120.400 0.127 0.000 2.234 140 K HA 0.262 4.583 4.320 0.001 0.000 0.282 140 K C 0.870 177.497 176.600 0.044 0.000 1.039 140 K CA 0.215 56.544 56.287 0.070 0.000 0.928 140 K CB 1.451 33.976 32.500 0.042 0.000 1.039 140 K HN 0.231 nan 8.250 nan 0.000 0.470 141 G N 1.354 110.148 108.800 -0.010 0.000 2.448 141 G HA2 -0.041 3.919 3.960 0.001 0.000 0.218 141 G HA3 -0.041 3.919 3.960 0.001 0.000 0.218 141 G C 0.960 175.839 174.900 -0.035 0.000 1.135 141 G CA 0.654 45.718 45.100 -0.060 0.000 0.784 141 G HN 0.918 nan 8.290 nan 0.000 0.543 142 G N -1.335 107.462 108.800 -0.006 0.000 2.176 142 G HA2 -0.224 3.737 3.960 0.001 0.000 0.253 142 G HA3 -0.224 3.737 3.960 0.001 0.000 0.253 142 G C 0.159 175.073 174.900 0.023 0.000 0.979 142 G CA 0.447 45.555 45.100 0.014 0.000 0.641 142 G HN 0.563 nan 8.290 nan 0.000 0.530 143 L N 1.064 122.292 121.223 0.010 0.000 2.350 143 L HA 0.635 4.975 4.340 0.001 0.000 0.260 143 L C -2.183 174.698 176.870 0.018 0.000 1.015 143 L CA -2.613 52.251 54.840 0.039 0.000 0.821 143 L CB 2.774 44.851 42.059 0.031 0.000 1.370 143 L HN -0.103 nan 8.230 nan 0.000 0.416 144 P HA 0.134 nan 4.420 nan 0.000 0.279 144 P C -0.105 177.148 177.300 -0.077 0.000 1.252 144 P CA -0.454 62.595 63.100 -0.086 0.000 0.811 144 P CB 1.331 32.908 31.700 -0.203 0.000 1.035 145 A N 1.978 124.729 122.820 -0.116 0.000 2.178 145 A HA -0.109 4.212 4.320 0.001 0.000 0.218 145 A C 1.797 179.412 177.584 0.051 0.000 1.157 145 A CA 1.658 53.665 52.037 -0.051 0.000 0.689 145 A CB -1.732 16.905 19.000 -0.606 0.000 0.787 145 A HN 0.596 nan 8.150 nan 0.000 0.465 146 T N -0.842 113.690 114.554 -0.035 0.000 2.897 146 T HA -0.197 4.154 4.350 0.001 0.000 0.271 146 T C 1.645 176.423 174.700 0.130 0.000 1.084 146 T CA 1.447 63.612 62.100 0.109 0.000 1.123 146 T CB -0.791 67.778 68.868 -0.497 0.000 0.865 146 T HN 0.635 nan 8.240 nan 0.000 0.496 147 C N 0.005 119.371 119.300 0.111 0.000 2.422 147 C HA -0.030 4.431 4.460 0.001 0.000 0.286 147 C C 2.088 177.066 174.990 -0.021 0.000 1.412 147 C CA -0.480 58.651 59.018 0.189 0.000 1.786 147 C CB -1.721 26.183 27.740 0.273 0.000 1.835 147 C HN 0.722 nan 8.230 nan 0.000 0.533 148 W N 0.949 122.316 121.300 0.111 0.000 2.905 148 W HA 0.038 4.698 4.660 0.001 0.000 0.251 148 W C 2.217 178.729 176.519 -0.012 0.000 1.305 148 W CA 0.582 57.916 57.345 -0.018 0.000 1.465 148 W CB -0.641 28.982 29.460 0.271 0.000 1.122 148 W HN 0.362 nan 8.180 nan 0.000 0.659 149 N N -0.163 118.705 118.700 0.280 0.000 2.137 149 N HA -0.182 4.558 4.740 0.001 0.000 0.190 149 N C 0.606 176.144 175.510 0.047 0.000 1.017 149 N CA 1.604 54.784 53.050 0.218 0.000 0.859 149 N CB -0.287 38.361 38.487 0.268 0.000 1.002 149 N HN -0.049 nan 8.380 nan 0.000 0.428 150 C N -0.060 119.217 119.300 -0.040 0.000 2.638 150 C HA 0.436 4.897 4.460 0.001 0.000 0.282 150 C C 0.892 175.780 174.990 -0.171 0.000 1.473 150 C CA -0.710 58.237 59.018 -0.117 0.000 1.781 150 C CB -0.455 27.198 27.740 -0.145 0.000 2.780 150 C HN 0.286 nan 8.230 nan 0.000 0.531 151 K N 0.135 120.443 120.400 -0.152 0.000 2.502 151 K HA 0.208 4.529 4.320 0.001 0.000 0.211 151 K C 0.365 176.923 176.600 -0.070 0.000 1.259 151 K CA 0.531 56.713 56.287 -0.176 0.000 0.983 151 K CB 1.055 33.308 32.500 -0.411 0.000 1.054 151 K HN 0.367 nan 8.250 nan 0.000 0.572 152 T N 1.282 115.794 114.554 -0.070 0.000 3.159 152 T HA 0.237 4.588 4.350 0.001 0.000 0.343 152 T C -2.746 171.830 174.700 -0.207 0.000 1.364 152 T CA -1.102 60.936 62.100 -0.103 0.000 1.102 152 T CB 1.868 70.679 68.868 -0.095 0.000 1.263 152 T HN -0.213 nan 8.240 nan 0.000 0.477 153 P HA 0.146 nan 4.420 nan 0.000 0.245 153 P C 1.073 178.137 177.300 -0.393 0.000 1.212 153 P CA 0.188 63.144 63.100 -0.240 0.000 0.774 153 P CB 0.283 31.893 31.700 -0.151 0.000 0.999 154 K N 0.066 120.106 120.400 -0.600 0.000 2.281 154 K HA -0.066 4.254 4.320 0.001 0.000 0.203 154 K C 2.049 177.919 176.600 -1.216 0.000 1.046 154 K CA 1.035 56.675 56.287 -1.079 0.000 0.938 154 K CB -0.911 30.674 32.500 -1.525 0.000 0.737 154 K HN -0.068 nan 8.250 nan 0.000 0.458 155 M N -0.309 118.815 119.600 -0.794 0.000 2.143 155 M HA -0.221 4.260 4.480 0.001 0.000 0.258 155 M C 1.943 177.941 176.300 -0.504 0.000 1.071 155 M CA 1.745 56.710 55.300 -0.557 0.000 1.088 155 M CB -0.629 31.794 32.600 -0.294 0.000 1.360 155 M HN 0.285 nan 8.290 nan 0.000 0.404 156 M N -0.751 118.605 119.600 -0.406 0.000 2.175 156 M HA -0.192 4.289 4.480 0.001 0.000 0.264 156 M C 1.885 178.009 176.300 -0.292 0.000 1.063 156 M CA 1.454 56.578 55.300 -0.294 0.000 1.119 156 M CB -0.406 32.067 32.600 -0.212 0.000 1.377 156 M HN 0.271 nan 8.290 nan 0.000 0.415 157 E N -0.432 119.553 120.200 -0.358 0.000 2.072 157 E HA -0.183 4.168 4.350 0.001 0.000 0.191 157 E C 1.877 178.372 176.600 -0.175 0.000 0.985 157 E CA 1.029 57.269 56.400 -0.267 0.000 0.801 157 E CB -0.192 29.316 29.700 -0.320 0.000 0.750 157 E HN 0.559 nan 8.360 nan 0.000 0.452 158 W N 0.842 121.859 121.300 -0.471 0.000 2.402 158 W HA -0.068 4.592 4.660 0.001 0.000 0.286 158 W C 2.174 178.281 176.519 -0.687 0.000 1.221 158 W CA 0.339 57.314 57.345 -0.617 0.000 1.257 158 W CB -0.815 28.018 29.460 -1.045 0.000 1.120 158 W HN -0.068 nan 8.180 nan 0.000 0.551 159 V N 0.168 119.774 119.914 -0.514 0.000 2.535 159 V HA -0.187 3.934 4.120 0.001 0.000 0.246 159 V C 2.386 178.346 176.094 -0.223 0.000 1.045 159 V CA 1.657 63.668 62.300 -0.481 0.000 1.058 159 V CB -0.576 30.946 31.823 -0.502 0.000 0.689 159 V HN 0.035 nan 8.190 nan 0.000 0.461 160 K N 0.454 120.750 120.400 -0.172 0.000 2.063 160 K HA -0.271 4.049 4.320 0.001 0.000 0.208 160 K C 2.195 178.757 176.600 -0.064 0.000 1.048 160 K CA 2.138 58.366 56.287 -0.098 0.000 0.928 160 K CB -0.085 32.361 32.500 -0.091 0.000 0.713 160 K HN 0.655 nan 8.250 nan 0.000 0.442 161 E N -0.522 119.644 120.200 -0.056 0.000 2.046 161 E HA -0.097 4.254 4.350 0.001 0.000 0.190 161 E C 1.303 177.902 176.600 -0.002 0.000 0.982 161 E CA 1.399 57.792 56.400 -0.011 0.000 0.800 161 E CB 0.086 29.807 29.700 0.034 0.000 0.756 161 E HN 0.152 nan 8.360 nan 0.000 0.449 162 S N -0.374 115.319 115.700 -0.011 0.000 2.511 162 S HA 0.273 4.744 4.470 0.001 0.000 0.214 162 S C 0.833 175.433 174.600 -0.000 0.000 0.997 162 S CA 0.303 58.515 58.200 0.020 0.000 0.908 162 S CB 0.693 63.953 63.200 0.100 0.000 0.803 162 S HN 0.662 nan 8.310 nan 0.000 0.504 163 G N 2.700 111.475 108.800 -0.041 0.000 2.596 163 G HA2 -0.352 3.609 3.960 0.001 0.000 0.295 163 G HA3 -0.352 3.609 3.960 0.001 0.000 0.295 163 G C 0.172 175.076 174.900 0.008 0.000 1.240 163 G CA 0.553 45.645 45.100 -0.015 0.000 0.985 163 G HN 0.348 nan 8.290 nan 0.000 0.555 164 D N 1.063 121.528 120.400 0.108 0.000 2.263 164 D HA 0.003 4.644 4.640 0.001 0.000 0.208 164 D C 2.432 178.854 176.300 0.203 0.000 0.971 164 D CA 1.716 55.858 54.000 0.237 0.000 0.867 164 D CB -0.831 40.090 40.800 0.202 0.000 0.929 164 D HN 0.697 nan 8.370 nan 0.000 0.492 165 G N -0.370 108.486 108.800 0.093 0.000 2.744 165 G HA2 -0.181 3.780 3.960 0.001 0.000 0.211 165 G HA3 -0.181 3.780 3.960 0.001 0.000 0.211 165 G C 1.261 176.167 174.900 0.011 0.000 1.143 165 G CA -0.224 44.914 45.100 0.063 0.000 0.788 165 G HN 0.195 nan 8.290 nan 0.000 0.534 166 F N 0.871 120.682 119.950 -0.232 0.000 2.075 166 F HA -0.068 4.459 4.527 0.001 0.000 0.297 166 F C 2.271 177.921 175.800 -0.249 0.000 1.113 166 F CA 1.417 59.201 58.000 -0.359 0.000 1.218 166 F CB -0.360 38.210 39.000 -0.718 0.000 0.984 166 F HN 0.256 nan 8.300 nan 0.000 0.472 167 W N 0.454 121.680 121.300 -0.122 0.000 2.318 167 W HA -0.158 4.503 4.660 0.001 0.000 0.313 167 W C 2.584 178.914 176.519 -0.316 0.000 1.221 167 W CA 1.410 58.607 57.345 -0.246 0.000 1.266 167 W CB -1.169 28.259 29.460 -0.053 0.000 1.150 167 W HN 0.105 nan 8.180 nan 0.000 0.496 168 A N 0.114 122.953 122.820 0.031 0.000 2.167 168 A HA 0.007 4.328 4.320 0.001 0.000 0.214 168 A C 1.045 178.588 177.584 -0.069 0.000 1.151 168 A CA 0.231 52.265 52.037 -0.006 0.000 0.735 168 A CB -0.543 18.486 19.000 0.048 0.000 0.802 168 A HN 0.134 nan 8.150 nan 0.000 0.467 169 K N 0.847 121.159 120.400 -0.147 0.000 2.494 169 K HA 0.007 4.328 4.320 0.001 0.000 0.273 169 K C -0.418 176.121 176.600 -0.101 0.000 0.970 169 K CA 0.221 56.427 56.287 -0.136 0.000 0.963 169 K CB 0.219 32.618 32.500 -0.169 0.000 0.913 169 K HN 0.405 nan 8.250 nan 0.000 0.502 170 D N 0.588 120.949 120.400 -0.067 0.000 2.372 170 D HA -0.044 4.597 4.640 0.001 0.000 0.243 170 D C 0.959 177.274 176.300 0.025 0.000 1.121 170 D CA -0.061 53.921 54.000 -0.029 0.000 0.898 170 D CB 1.224 42.007 40.800 -0.029 0.000 1.202 170 D HN 0.177 nan 8.370 nan 0.000 0.428 171 V N 3.633 123.583 119.914 0.059 0.000 2.407 171 V HA -0.215 3.906 4.120 0.001 0.000 0.248 171 V C 1.411 177.675 176.094 0.284 0.000 1.055 171 V CA 1.807 64.231 62.300 0.206 0.000 1.049 171 V CB -0.587 31.254 31.823 0.030 0.000 0.662 171 V HN 0.581 nan 8.190 nan 0.000 0.455 172 N N 0.199 118.903 118.700 0.007 0.000 2.520 172 N HA -0.101 4.640 4.740 0.001 0.000 0.185 172 N C 1.619 177.036 175.510 -0.156 0.000 1.068 172 N CA 0.948 53.893 53.050 -0.175 0.000 0.911 172 N CB -0.276 38.025 38.487 -0.309 0.000 0.961 172 N HN 0.640 nan 8.380 nan 0.000 0.446 173 E N -0.975 119.131 120.200 -0.156 0.000 2.331 173 E HA -0.114 4.237 4.350 0.001 0.000 0.199 173 E C 0.196 176.357 176.600 -0.731 0.000 1.008 173 E CA 0.769 56.905 56.400 -0.440 0.000 0.843 173 E CB -0.048 29.267 29.700 -0.643 0.000 0.761 173 E HN 0.440 nan 8.360 nan 0.000 0.507 174 F N -1.158 118.631 119.950 -0.268 0.000 2.746 174 F HA 0.258 4.785 4.527 0.001 0.000 0.320 174 F C 1.880 177.557 175.800 -0.204 0.000 1.097 174 F CA -0.523 57.175 58.000 -0.503 0.000 1.195 174 F CB 0.307 38.474 39.000 -1.389 0.000 1.056 174 F HN -0.195 nan 8.300 nan 0.000 0.562 175 R N 1.429 122.011 120.500 0.137 0.000 2.096 175 R HA -0.176 4.165 4.340 0.001 0.000 0.240 175 R C 0.823 177.194 176.300 0.118 0.000 1.139 175 R CA 2.383 58.569 56.100 0.143 0.000 0.952 175 R CB -0.456 29.546 30.300 -0.496 0.000 0.854 175 R HN 0.349 nan 8.270 nan 0.000 0.436 176 D N -0.206 120.236 120.400 0.071 0.000 2.025 176 D HA -0.051 4.589 4.640 0.001 0.000 0.270 176 D C 0.117 176.512 176.300 0.158 0.000 1.135 176 D CA 0.019 54.118 54.000 0.165 0.000 0.978 176 D CB -0.181 40.734 40.800 0.193 0.000 1.178 176 D HN 0.053 nan 8.370 nan 0.000 0.487 177 K N -1.717 118.771 120.400 0.147 0.000 3.281 177 K HA -0.245 4.076 4.320 0.001 0.000 0.308 177 K C -0.385 176.363 176.600 0.247 0.000 1.218 177 K CA 0.770 57.163 56.287 0.178 0.000 0.923 177 K CB -1.568 31.024 32.500 0.153 0.000 1.222 177 K HN 0.530 nan 8.250 nan 0.000 0.440 178 I N -0.021 120.694 120.570 0.241 0.000 2.752 178 I HA 0.170 4.341 4.170 0.001 0.000 0.295 178 I C -1.388 174.924 176.117 0.325 0.000 1.219 178 I CA -0.790 60.675 61.300 0.275 0.000 1.030 178 I CB 1.879 40.022 38.000 0.238 0.000 1.259 178 I HN -0.103 nan 8.210 nan 0.000 0.423 179 D N 7.285 127.963 120.400 0.463 0.000 2.347 179 D HA 0.146 4.786 4.640 0.001 0.000 0.235 179 D C 0.884 177.283 176.300 0.165 0.000 1.149 179 D CA -0.134 53.977 54.000 0.184 0.000 0.850 179 D CB 1.447 42.177 40.800 -0.116 0.000 1.061 179 D HN 0.699 nan 8.370 nan 0.000 0.487 180 M N 4.059 123.768 119.600 0.181 0.000 2.143 180 M HA -0.237 4.244 4.480 0.001 0.000 0.258 180 M C 1.198 177.581 176.300 0.138 0.000 1.071 180 M CA 1.703 57.119 55.300 0.193 0.000 1.088 180 M CB 0.290 33.007 32.600 0.194 0.000 1.360 180 M HN 0.223 nan 8.290 nan 0.000 0.404 181 K N -1.322 119.128 120.400 0.084 0.000 2.214 181 K HA -0.018 4.303 4.320 0.001 0.000 0.201 181 K C 1.317 177.951 176.600 0.057 0.000 1.049 181 K CA 0.956 57.283 56.287 0.067 0.000 0.978 181 K CB -0.054 32.478 32.500 0.053 0.000 0.842 181 K HN 0.211 nan 8.250 nan 0.000 0.474 182 D N 0.301 120.671 120.400 -0.050 0.000 2.317 182 D HA -0.035 4.605 4.640 0.001 0.000 0.211 182 D C 0.743 176.927 176.300 -0.193 0.000 0.966 182 D CA 0.993 54.897 54.000 -0.159 0.000 0.876 182 D CB 0.234 40.827 40.800 -0.346 0.000 0.927 182 D HN 0.309 nan 8.370 nan 0.000 0.519 183 H N -1.766 117.342 119.070 0.063 0.000 2.784 183 H HA 0.210 4.766 4.556 0.001 0.000 0.273 183 H C 0.189 175.529 175.328 0.019 0.000 1.112 183 H CA -0.174 55.879 56.048 0.008 0.000 1.162 183 H CB 0.628 30.364 29.762 -0.043 0.000 1.586 183 H HN -0.060 nan 8.280 nan 0.000 0.548 184 T N 0.272 114.922 114.554 0.159 0.000 2.802 184 T HA 0.132 4.482 4.350 0.001 0.000 0.305 184 T C 0.819 175.568 174.700 0.082 0.000 1.053 184 T CA -0.726 61.450 62.100 0.127 0.000 1.058 184 T CB 1.079 70.038 68.868 0.151 0.000 0.988 184 T HN 0.130 nan 8.240 nan 0.000 0.539 185 I N 2.108 122.689 120.570 0.019 0.000 3.310 185 I HA 0.147 4.317 4.170 0.001 0.000 0.345 185 I C 1.196 177.331 176.117 0.030 0.000 1.215 185 I CA 0.747 62.002 61.300 -0.076 0.000 1.472 185 I CB -1.182 36.671 38.000 -0.245 0.000 1.305 185 I HN 0.981 nan 8.210 nan 0.000 0.500 186 G N 4.187 112.934 108.800 -0.089 0.000 2.570 186 G HA2 0.271 4.232 3.960 0.001 0.000 0.310 186 G HA3 0.271 4.232 3.960 0.001 0.000 0.310 186 G C 0.370 175.102 174.900 -0.281 0.000 1.266 186 G CA -0.052 44.933 45.100 -0.191 0.000 0.825 186 G HN 0.569 nan 8.290 nan 0.000 0.483 187 C N 0.740 119.742 119.300 -0.495 0.000 2.401 187 C HA 0.136 4.597 4.460 0.001 0.000 0.276 187 C C 3.373 178.096 174.990 -0.446 0.000 1.233 187 C CA 1.805 60.436 59.018 -0.646 0.000 1.753 187 C CB -1.460 25.328 27.740 -1.586 0.000 2.029 187 C HN 0.865 nan 8.230 nan 0.000 0.478 188 A N 0.568 123.160 122.820 -0.379 0.000 2.121 188 A HA -0.102 4.218 4.320 0.001 0.000 0.218 188 A C 2.114 179.633 177.584 -0.108 0.000 1.154 188 A CA 2.068 54.043 52.037 -0.104 0.000 0.679 188 A CB -0.902 18.117 19.000 0.031 0.000 0.795 188 A HN 0.613 nan 8.150 nan 0.000 0.458 189 T N -1.224 113.235 114.554 -0.159 0.000 2.788 189 T HA -0.164 4.187 4.350 0.001 0.000 0.268 189 T C 1.500 176.094 174.700 -0.177 0.000 1.044 189 T CA 1.811 63.808 62.100 -0.172 0.000 1.139 189 T CB -0.358 68.379 68.868 -0.218 0.000 0.867 189 T HN 0.622 nan 8.240 nan 0.000 0.454 190 C N -0.466 118.711 119.300 -0.205 0.000 3.580 190 C HA 0.320 4.781 4.460 0.001 0.000 0.337 190 C C 0.486 175.253 174.990 -0.373 0.000 1.412 190 C CA -0.753 58.092 59.018 -0.288 0.000 1.797 190 C CB -0.241 27.275 27.740 -0.373 0.000 2.470 190 C HN 0.492 nan 8.230 nan 0.000 0.691 191 H N 1.361 120.372 119.070 -0.099 0.000 2.495 191 H HA 0.246 4.803 4.556 0.001 0.000 0.348 191 H C -1.021 174.310 175.328 0.005 0.000 1.113 191 H CA -0.122 55.889 56.048 -0.060 0.000 1.195 191 H CB 1.205 30.895 29.762 -0.120 0.000 1.521 191 H HN 0.209 nan 8.280 nan 0.000 0.509 192 D N 3.884 124.385 120.400 0.169 0.000 2.401 192 D HA 0.003 4.643 4.640 0.001 0.000 0.254 192 D C -1.666 174.766 176.300 0.220 0.000 1.192 192 D CA -1.310 52.781 54.000 0.152 0.000 0.885 192 D CB 1.538 42.409 40.800 0.118 0.000 1.147 192 D HN 0.231 nan 8.370 nan 0.000 0.478 193 P HA -0.145 nan 4.420 nan 0.000 0.217 193 P C 0.949 178.333 177.300 0.139 0.000 1.148 193 P CA 1.355 64.613 63.100 0.264 0.000 0.828 193 P CB 0.308 32.092 31.700 0.140 0.000 0.783 194 Q N -1.959 117.909 119.800 0.114 0.000 2.259 194 Q HA 0.013 4.354 4.340 0.001 0.000 0.201 194 Q C 1.608 177.690 176.000 0.137 0.000 0.938 194 Q CA 1.685 57.542 55.803 0.090 0.000 0.872 194 Q CB -0.088 28.687 28.738 0.062 0.000 0.971 194 Q HN 0.336 nan 8.270 nan 0.000 0.494 195 T N -3.239 111.411 114.554 0.160 0.000 2.975 195 T HA 0.174 4.524 4.350 0.001 0.000 0.257 195 T C 0.839 175.683 174.700 0.241 0.000 1.003 195 T CA -0.236 61.985 62.100 0.201 0.000 0.932 195 T CB 0.540 69.504 68.868 0.159 0.000 1.087 195 T HN -0.001 nan 8.240 nan 0.000 0.512 196 M N 0.396 120.097 119.600 0.169 0.000 2.856 196 M HA -0.124 4.357 4.480 0.001 0.000 0.189 196 M C -0.502 175.948 176.300 0.250 0.000 0.612 196 M CA 0.598 55.940 55.300 0.071 0.000 0.673 196 M CB -2.244 30.113 32.600 -0.404 0.000 2.440 196 M HN 0.408 nan 8.290 nan 0.000 0.437 197 E N 0.828 121.159 120.200 0.219 0.000 2.383 197 E HA 0.379 4.730 4.350 0.001 0.000 0.264 197 E C 0.395 177.077 176.600 0.136 0.000 1.050 197 E CA -0.365 56.146 56.400 0.184 0.000 0.896 197 E CB 0.846 30.626 29.700 0.133 0.000 0.982 197 E HN 0.470 nan 8.360 nan 0.000 0.424 198 L N 3.124 124.386 121.223 0.064 0.000 2.380 198 L HA 0.244 4.584 4.340 0.001 0.000 0.273 198 L C 0.895 177.740 176.870 -0.041 0.000 1.138 198 L CA 0.138 54.935 54.840 -0.071 0.000 0.832 198 L CB 0.266 42.282 42.059 -0.072 0.000 1.124 198 L HN 0.426 nan 8.230 nan 0.000 0.454 199 R N 2.895 123.346 120.500 -0.081 0.000 2.799 199 R HA 0.700 5.041 4.340 0.001 0.000 0.270 199 R C -1.464 174.798 176.300 -0.063 0.000 1.010 199 R CA -0.963 55.111 56.100 -0.044 0.000 0.916 199 R CB 1.620 31.908 30.300 -0.019 0.000 1.228 199 R HN 0.404 nan 8.270 nan 0.000 0.469 200 I N 1.867 122.414 120.570 -0.039 0.000 2.330 200 I HA 0.212 4.383 4.170 0.001 0.000 0.289 200 I C 0.736 176.827 176.117 -0.043 0.000 1.001 200 I CA -0.552 60.724 61.300 -0.041 0.000 1.193 200 I CB 2.230 40.221 38.000 -0.015 0.000 1.345 200 I HN 0.977 nan 8.210 nan 0.000 0.461 201 T N 0.049 114.567 114.554 -0.060 0.000 3.054 201 T HA 0.098 4.449 4.350 0.001 0.000 0.255 201 T C 0.761 175.426 174.700 -0.059 0.000 1.035 201 T CA -0.294 61.768 62.100 -0.063 0.000 0.941 201 T CB 0.235 69.053 68.868 -0.083 0.000 1.026 201 T HN 0.402 nan 8.240 nan 0.000 0.533 202 S N 0.936 116.604 115.700 -0.053 0.000 2.510 202 S HA 0.317 4.787 4.470 0.001 0.000 0.279 202 S C 1.434 175.994 174.600 -0.068 0.000 1.284 202 S CA -0.638 57.532 58.200 -0.050 0.000 1.059 202 S CB 0.599 63.779 63.200 -0.034 0.000 0.901 202 S HN 0.221 nan 8.310 nan 0.000 0.491 203 V N 7.713 127.596 119.914 -0.052 0.000 2.244 203 V HA -0.037 4.084 4.120 0.001 0.000 0.244 203 V C -0.608 175.337 176.094 -0.248 0.000 1.042 203 V CA 1.453 63.710 62.300 -0.070 0.000 1.006 203 V CB -1.577 30.302 31.823 0.093 0.000 0.641 203 V HN 0.744 nan 8.190 nan 0.000 0.446 204 P HA -0.140 nan 4.420 nan 0.000 0.218 204 P C 1.955 178.723 177.300 -0.887 0.000 1.149 204 P CA 1.289 63.873 63.100 -0.859 0.000 0.817 204 P CB 0.007 30.853 31.700 -1.422 0.000 0.785 205 L N -0.080 120.791 121.223 -0.588 0.000 2.072 205 L HA -0.052 4.289 4.340 0.001 0.000 0.205 205 L C 2.217 179.071 176.870 -0.027 0.000 1.079 205 L CA 2.139 56.889 54.840 -0.150 0.000 0.752 205 L CB -1.664 40.452 42.059 0.095 0.000 0.906 205 L HN -0.095 nan 8.230 nan 0.000 0.436 206 T N -0.342 114.167 114.554 -0.076 0.000 2.684 206 T HA -0.189 4.162 4.350 0.001 0.000 0.267 206 T C 1.474 176.143 174.700 -0.052 0.000 1.036 206 T CA 1.612 63.689 62.100 -0.039 0.000 1.148 206 T CB -0.442 68.399 68.868 -0.046 0.000 0.863 206 T HN 0.380 nan 8.240 nan 0.000 0.436 207 D N 0.120 120.451 120.400 -0.115 0.000 2.116 207 D HA -0.123 4.518 4.640 0.001 0.000 0.193 207 D C 1.713 177.974 176.300 -0.064 0.000 0.998 207 D CA 1.228 55.161 54.000 -0.111 0.000 0.836 207 D CB -0.512 40.178 40.800 -0.184 0.000 0.951 207 D HN 0.522 nan 8.370 nan 0.000 0.449 208 Y N 1.131 121.340 120.300 -0.152 0.000 2.163 208 Y HA -0.121 4.430 4.550 0.001 0.000 0.288 208 Y C 2.278 178.218 175.900 0.066 0.000 1.136 208 Y CA 1.191 59.272 58.100 -0.032 0.000 1.147 208 Y CB -0.388 38.071 38.460 -0.003 0.000 0.987 208 Y HN -0.103 nan 8.280 nan 0.000 0.509 209 L N -0.889 120.353 121.223 0.033 0.000 2.042 209 L HA -0.258 4.083 4.340 0.001 0.000 0.210 209 L C 2.378 179.187 176.870 -0.101 0.000 1.076 209 L CA 1.318 56.151 54.840 -0.012 0.000 0.749 209 L CB -0.750 41.372 42.059 0.104 0.000 0.893 209 L HN 0.153 nan 8.230 nan 0.000 0.432 210 V N -0.274 119.595 119.914 -0.075 0.000 2.343 210 V HA -0.293 3.828 4.120 0.001 0.000 0.247 210 V C 2.690 178.727 176.094 -0.095 0.000 1.051 210 V CA 2.006 64.267 62.300 -0.065 0.000 1.036 210 V CB -0.665 31.133 31.823 -0.042 0.000 0.654 210 V HN 0.677 nan 8.190 nan 0.000 0.451 211 S N -0.297 115.317 115.700 -0.144 0.000 2.419 211 S HA -0.230 4.240 4.470 0.001 0.000 0.233 211 S C 1.676 176.172 174.600 -0.172 0.000 1.016 211 S CA 1.108 59.222 58.200 -0.143 0.000 0.974 211 S CB -0.338 62.782 63.200 -0.133 0.000 0.786 211 S HN 0.587 nan 8.310 nan 0.000 0.492 212 Q N 0.773 120.414 119.800 -0.266 0.000 2.320 212 Q HA 0.302 4.643 4.340 0.001 0.000 0.201 212 Q C 1.262 177.215 176.000 -0.078 0.000 0.910 212 Q CA 0.538 56.229 55.803 -0.187 0.000 0.946 212 Q CB -0.212 28.369 28.738 -0.260 0.000 1.062 212 Q HN 0.797 nan 8.270 nan 0.000 0.503 213 G N 1.452 110.212 108.800 -0.066 0.000 2.221 213 G HA2 -0.305 3.656 3.960 0.001 0.000 0.265 213 G HA3 -0.305 3.656 3.960 0.001 0.000 0.265 213 G C -0.134 174.760 174.900 -0.010 0.000 1.041 213 G CA 0.314 45.398 45.100 -0.027 0.000 0.807 213 G HN 0.238 nan 8.290 nan 0.000 0.502 214 K N 0.042 120.435 120.400 -0.012 0.000 2.244 214 K HA 0.360 4.680 4.320 0.001 0.000 0.260 214 K C -0.867 175.745 176.600 0.020 0.000 0.951 214 K CA -0.919 55.379 56.287 0.018 0.000 0.826 214 K CB 1.212 33.738 32.500 0.043 0.000 1.108 214 K HN 0.071 nan 8.250 nan 0.000 0.433 215 D N 4.059 124.475 120.400 0.027 0.000 2.344 215 D HA 0.097 4.738 4.640 0.001 0.000 0.253 215 D C -1.838 174.482 176.300 0.033 0.000 1.255 215 D CA -2.191 51.824 54.000 0.025 0.000 0.894 215 D CB 1.228 42.043 40.800 0.025 0.000 1.067 215 D HN 0.164 nan 8.370 nan 0.000 0.492 216 P HA -0.046 nan 4.420 nan 0.000 0.231 216 P C 0.468 177.785 177.300 0.029 0.000 1.158 216 P CA 0.848 63.968 63.100 0.034 0.000 0.763 216 P CB 0.277 31.992 31.700 0.024 0.000 0.805 217 K N -0.771 119.645 120.400 0.027 0.000 2.353 217 K HA 0.160 4.481 4.320 0.001 0.000 0.195 217 K C 0.754 177.373 176.600 0.033 0.000 1.031 217 K CA 0.342 56.645 56.287 0.027 0.000 1.079 217 K CB 0.475 32.989 32.500 0.023 0.000 0.857 217 K HN 0.112 nan 8.250 nan 0.000 0.535 218 K N 1.169 121.590 120.400 0.036 0.000 2.826 218 K HA 0.269 4.590 4.320 0.001 0.000 0.206 218 K C -0.622 176.006 176.600 0.047 0.000 1.116 218 K CA -0.166 56.144 56.287 0.039 0.000 1.045 218 K CB 0.716 33.237 32.500 0.035 0.000 0.758 218 K HN -0.068 nan 8.250 nan 0.000 0.465 219 L N 2.246 123.500 121.223 0.052 0.000 2.397 219 L HA 0.261 4.602 4.340 0.001 0.000 0.271 219 L C -1.964 174.944 176.870 0.064 0.000 1.148 219 L CA -1.933 52.945 54.840 0.064 0.000 0.825 219 L CB 0.061 42.163 42.059 0.072 0.000 1.117 219 L HN -0.064 nan 8.230 nan 0.000 0.456 220 P HA 0.054 nan 4.420 nan 0.000 0.268 220 P C 0.098 177.441 177.300 0.071 0.000 1.208 220 P CA -0.428 62.713 63.100 0.068 0.000 0.777 220 P CB 0.615 32.357 31.700 0.071 0.000 0.875 221 R N 2.860 123.401 120.500 0.069 0.000 2.080 221 R HA -0.202 4.139 4.340 0.001 0.000 0.236 221 R C 1.823 178.166 176.300 0.071 0.000 1.137 221 R CA 2.175 58.317 56.100 0.070 0.000 0.943 221 R CB -1.409 28.936 30.300 0.075 0.000 0.846 221 R HN 0.440 nan 8.270 nan 0.000 0.431 222 N N 0.215 118.961 118.700 0.078 0.000 2.094 222 N HA -0.171 4.569 4.740 0.001 0.000 0.191 222 N C 1.480 177.056 175.510 0.109 0.000 1.023 222 N CA 1.882 54.984 53.050 0.087 0.000 0.857 222 N CB -0.069 38.471 38.487 0.089 0.000 1.013 222 N HN 0.423 nan 8.380 nan 0.000 0.426 223 E N -0.877 119.394 120.200 0.118 0.000 2.051 223 E HA -0.169 4.181 4.350 0.001 0.000 0.192 223 E C 1.783 178.457 176.600 0.124 0.000 0.991 223 E CA 0.944 57.435 56.400 0.152 0.000 0.799 223 E CB -0.012 29.778 29.700 0.149 0.000 0.748 223 E HN 0.373 nan 8.360 nan 0.000 0.449 224 M N 0.094 119.743 119.600 0.081 0.000 2.213 224 M HA -0.138 4.343 4.480 0.001 0.000 0.263 224 M C 1.825 178.129 176.300 0.006 0.000 1.062 224 M CA 1.406 56.732 55.300 0.042 0.000 1.105 224 M CB -0.598 32.021 32.600 0.031 0.000 1.385 224 M HN -0.010 nan 8.290 nan 0.000 0.417 225 R N -0.651 119.856 120.500 0.011 0.000 2.357 225 R HA 0.032 4.373 4.340 0.001 0.000 0.202 225 R C 1.701 177.940 176.300 -0.101 0.000 1.047 225 R CA 0.735 56.816 56.100 -0.032 0.000 1.034 225 R CB -0.095 30.196 30.300 -0.014 0.000 0.875 225 R HN 0.362 nan 8.270 nan 0.000 0.473 226 A N -0.319 122.447 122.820 -0.090 0.000 1.975 226 A HA 0.161 4.481 4.320 0.001 0.000 0.197 226 A C 1.717 179.277 177.584 -0.041 0.000 1.537 226 A CA -0.260 51.644 52.037 -0.222 0.000 0.972 226 A CB 0.024 18.740 19.000 -0.473 0.000 1.019 226 A HN 0.122 nan 8.150 nan 0.000 0.488 227 L N 0.943 122.195 121.223 0.049 0.000 2.081 227 L HA -0.204 4.137 4.340 0.001 0.000 0.212 227 L C 2.615 179.438 176.870 -0.078 0.000 1.080 227 L CA 1.813 56.641 54.840 -0.019 0.000 0.754 227 L CB -0.618 41.467 42.059 0.044 0.000 0.893 227 L HN 0.455 nan 8.230 nan 0.000 0.433 228 V N -4.182 115.681 119.914 -0.084 0.000 2.688 228 V HA -0.255 3.866 4.120 0.001 0.000 0.256 228 V C 2.118 178.120 176.094 -0.152 0.000 1.084 228 V CA 1.737 63.962 62.300 -0.126 0.000 1.103 228 V CB -1.214 30.516 31.823 -0.155 0.000 0.688 228 V HN 0.516 nan 8.190 nan 0.000 0.480 229 C N 1.319 120.533 119.300 -0.144 0.000 2.507 229 C HA 0.345 4.806 4.460 0.001 0.000 0.280 229 C C 2.932 177.895 174.990 -0.045 0.000 1.345 229 C CA 0.216 59.163 59.018 -0.118 0.000 1.736 229 C CB -1.450 26.175 27.740 -0.192 0.000 2.060 229 C HN 0.611 nan 8.230 nan 0.000 0.498 230 G N 0.304 109.049 108.800 -0.092 0.000 2.615 230 G HA2 -0.185 3.776 3.960 0.001 0.000 0.213 230 G HA3 -0.185 3.776 3.960 0.001 0.000 0.213 230 G C 1.539 176.380 174.900 -0.099 0.000 1.135 230 G CA 0.364 45.340 45.100 -0.206 0.000 0.772 230 G HN 0.706 nan 8.290 nan 0.000 0.542 231 Q N -1.066 118.704 119.800 -0.050 0.000 2.167 231 Q HA -0.059 4.282 4.340 0.001 0.000 0.202 231 Q C 2.060 178.083 176.000 0.038 0.000 0.970 231 Q CA 1.392 57.209 55.803 0.023 0.000 0.855 231 Q CB -0.013 28.693 28.738 -0.052 0.000 0.911 231 Q HN 0.632 nan 8.270 nan 0.000 0.438 232 C N -2.321 116.937 119.300 -0.070 0.000 3.484 232 C HA 0.148 4.609 4.460 0.001 0.000 0.543 232 C C 0.906 175.759 174.990 -0.230 0.000 1.395 232 C CA -0.523 58.399 59.018 -0.161 0.000 2.412 232 C CB -0.087 27.478 27.740 -0.292 0.000 3.532 232 C HN 0.392 nan 8.230 nan 0.000 0.584 233 H N 2.363 121.370 119.070 -0.105 0.000 2.799 233 H HA 0.423 4.980 4.556 0.001 0.000 0.225 233 H C -0.138 175.253 175.328 0.104 0.000 1.904 233 H CA 0.820 56.842 56.048 -0.043 0.000 1.344 233 H CB -0.135 29.590 29.762 -0.062 0.000 1.744 233 H HN 0.448 nan 8.280 nan 0.000 0.542 234 V N -0.782 119.276 119.914 0.240 0.000 3.188 234 V HA 0.355 4.476 4.120 0.001 0.000 0.305 234 V C -0.242 175.954 176.094 0.170 0.000 1.232 234 V CA -1.379 61.010 62.300 0.149 0.000 1.043 234 V CB 2.729 34.380 31.823 -0.286 0.000 1.068 234 V HN 0.199 nan 8.190 nan 0.000 0.439 235 E N 2.152 122.420 120.200 0.113 0.000 2.360 235 E HA 0.535 4.886 4.350 0.001 0.000 0.269 235 E C -0.951 175.663 176.600 0.022 0.000 1.022 235 E CA 0.196 56.610 56.400 0.023 0.000 0.887 235 E CB 0.659 30.436 29.700 0.128 0.000 0.990 235 E HN 0.964 nan 8.360 nan 0.000 0.426 236 Y N 1.918 122.221 120.300 0.004 0.000 2.615 236 Y HA 0.680 5.231 4.550 0.001 0.000 0.341 236 Y C -1.469 174.454 175.900 0.038 0.000 1.089 236 Y CA -1.504 56.616 58.100 0.035 0.000 1.049 236 Y CB 0.878 39.402 38.460 0.107 0.000 1.296 236 Y HN 0.517 nan 8.280 nan 0.000 0.470 237 Y N -0.726 119.613 120.300 0.064 0.000 2.644 237 Y HA 0.832 5.382 4.550 0.001 0.000 0.338 237 Y C -2.263 173.720 175.900 0.138 0.000 1.119 237 Y CA -2.494 55.546 58.100 -0.100 0.000 1.060 237 Y CB 1.339 39.572 38.460 -0.378 0.000 1.294 237 Y HN 0.463 nan 8.280 nan 0.000 0.472 238 F N 1.670 121.872 119.950 0.420 0.000 2.415 238 F HA 0.384 4.912 4.527 0.001 0.000 0.348 238 F C 0.009 176.077 175.800 0.446 0.000 1.119 238 F CA -1.623 56.536 58.000 0.266 0.000 1.069 238 F CB 0.715 39.885 39.000 0.284 0.000 1.124 238 F HN 0.483 nan 8.300 nan 0.000 0.472 239 N N 1.596 120.557 118.700 0.436 0.000 2.219 239 N HA 0.043 4.783 4.740 0.001 0.000 0.263 239 N C 0.503 176.250 175.510 0.394 0.000 1.269 239 N CA 0.376 53.686 53.050 0.433 0.000 0.831 239 N CB 0.657 39.273 38.487 0.214 0.000 1.059 239 N HN 0.872 nan 8.380 nan 0.000 0.475 240 G N 2.152 111.177 108.800 0.375 0.000 2.580 240 G HA2 0.240 4.201 3.960 0.001 0.000 0.278 240 G HA3 0.240 4.201 3.960 0.001 0.000 0.278 240 G C -1.356 173.647 174.900 0.171 0.000 1.212 240 G CA -1.015 44.225 45.100 0.233 0.000 0.939 240 G HN 0.330 nan 8.290 nan 0.000 0.513 241 P HA -0.068 nan 4.420 nan 0.000 0.217 241 P C 1.530 178.883 177.300 0.089 0.000 1.148 241 P CA 1.464 64.622 63.100 0.097 0.000 0.834 241 P CB 0.281 32.025 31.700 0.073 0.000 0.783 242 T N -2.186 112.422 114.554 0.090 0.000 3.069 242 T HA 0.250 4.601 4.350 0.001 0.000 0.252 242 T C 1.173 175.926 174.700 0.089 0.000 1.053 242 T CA 0.230 62.374 62.100 0.074 0.000 0.964 242 T CB -0.388 68.512 68.868 0.053 0.000 1.005 242 T HN 0.042 nan 8.240 nan 0.000 0.532 243 M N 0.351 120.027 119.600 0.127 0.000 2.371 243 M HA 0.341 4.821 4.480 0.001 0.000 0.246 243 M C 1.126 177.511 176.300 0.141 0.000 1.103 243 M CA -0.083 55.311 55.300 0.156 0.000 1.010 243 M CB 0.855 33.605 32.600 0.249 0.000 1.457 243 M HN 0.332 nan 8.290 nan 0.000 0.486 244 G N -0.117 108.748 108.800 0.109 0.000 2.302 244 G HA2 0.012 3.973 3.960 0.001 0.000 0.264 244 G HA3 0.012 3.973 3.960 0.001 0.000 0.264 244 G C -1.231 173.717 174.900 0.079 0.000 1.335 244 G CA -1.168 43.982 45.100 0.083 0.000 0.982 244 G HN -0.148 nan 8.290 nan 0.000 0.473 245 V N 1.832 121.783 119.914 0.061 0.000 2.509 245 V HA 0.135 4.255 4.120 0.001 0.000 0.297 245 V C 1.099 177.243 176.094 0.084 0.000 1.014 245 V CA 0.218 62.567 62.300 0.081 0.000 1.127 245 V CB 0.596 32.476 31.823 0.096 0.000 0.925 245 V HN 0.756 nan 8.190 nan 0.000 0.480 246 N N 4.618 123.386 118.700 0.113 0.000 2.412 246 N HA -0.029 4.712 4.740 0.001 0.000 0.258 246 N C 0.732 176.315 175.510 0.123 0.000 1.236 246 N CA 0.495 53.617 53.050 0.121 0.000 0.882 246 N CB -0.193 38.360 38.487 0.110 0.000 1.066 246 N HN 0.687 nan 8.380 nan 0.000 0.465 247 K N -0.567 119.910 120.400 0.128 0.000 3.193 247 K HA -0.296 4.025 4.320 0.001 0.000 0.294 247 K C -0.365 176.196 176.600 -0.065 0.000 1.185 247 K CA 1.000 57.342 56.287 0.091 0.000 0.866 247 K CB -0.811 31.711 32.500 0.037 0.000 1.227 247 K HN 0.628 nan 8.250 nan 0.000 0.467 248 K N 1.636 121.920 120.400 -0.193 0.000 2.401 248 K HA 0.061 4.382 4.320 0.001 0.000 0.278 248 K C -2.299 174.027 176.600 -0.457 0.000 1.018 248 K CA -1.456 54.411 56.287 -0.701 0.000 0.981 248 K CB 0.575 32.676 32.500 -0.666 0.000 0.933 248 K HN -0.125 nan 8.250 nan 0.000 0.477 249 P HA 0.013 nan 4.420 nan 0.000 0.271 249 P C -0.989 176.008 177.300 -0.506 0.000 1.226 249 P CA -0.146 62.775 63.100 -0.298 0.000 0.765 249 P CB 0.839 32.345 31.700 -0.324 0.000 0.835 250 V N 4.694 124.265 119.914 -0.571 0.000 2.735 250 V HA 0.393 4.514 4.120 0.001 0.000 0.310 250 V C 0.016 175.832 176.094 -0.463 0.000 1.061 250 V CA -0.693 61.187 62.300 -0.700 0.000 0.913 250 V CB 1.923 33.249 31.823 -0.827 0.000 1.005 250 V HN 0.382 nan 8.190 nan 0.000 0.428 251 F N 4.594 124.161 119.950 -0.638 0.000 2.390 251 F HA 0.341 4.868 4.527 0.001 0.000 0.361 251 F C -1.628 173.677 175.800 -0.826 0.000 1.124 251 F CA -2.164 55.294 58.000 -0.903 0.000 1.149 251 F CB 1.789 39.776 39.000 -1.690 0.000 1.160 251 F HN 0.330 nan 8.300 nan 0.000 0.501 252 P HA -0.057 nan 4.420 nan 0.000 0.232 252 P C -0.192 176.661 177.300 -0.746 0.000 1.738 252 P CA 0.232 62.656 63.100 -1.127 0.000 0.948 252 P CB -0.327 30.702 31.700 -1.119 0.000 1.943 253 W N 0.035 120.981 121.300 -0.590 0.000 3.127 253 W HA 0.387 5.048 4.660 0.001 0.000 0.344 253 W C 1.771 178.152 176.519 -0.229 0.000 1.151 253 W CA -0.456 56.638 57.345 -0.418 0.000 1.765 253 W CB -1.090 28.104 29.460 -0.443 0.000 1.085 253 W HN 0.164 nan 8.180 nan 0.000 0.596 254 A N 0.131 123.035 122.820 0.141 0.000 2.070 254 A HA -0.168 4.153 4.320 0.001 0.000 0.220 254 A C 1.797 179.471 177.584 0.151 0.000 1.159 254 A CA 1.875 54.051 52.037 0.231 0.000 0.656 254 A CB -0.147 19.048 19.000 0.326 0.000 0.800 254 A HN 0.116 nan 8.150 nan 0.000 0.453 255 E N -1.700 118.577 120.200 0.129 0.000 2.452 255 E HA 0.392 4.743 4.350 0.001 0.000 0.197 255 E C 0.702 177.295 176.600 -0.012 0.000 1.022 255 E CA 0.882 57.332 56.400 0.083 0.000 0.890 255 E CB 0.538 30.320 29.700 0.138 0.000 0.918 255 E HN 0.734 nan 8.360 nan 0.000 0.496 256 G N -1.168 107.545 108.800 -0.146 0.000 2.371 256 G HA2 -0.151 3.810 3.960 0.001 0.000 0.663 256 G HA3 -0.151 3.810 3.960 0.001 0.000 0.663 256 G C -0.200 174.466 174.900 -0.391 0.000 1.311 256 G CA -0.518 44.419 45.100 -0.272 0.000 0.985 256 G HN 0.074 nan 8.290 nan 0.000 0.566 257 F N 0.512 120.414 119.950 -0.081 0.000 2.746 257 F HA 0.261 4.789 4.527 0.001 0.000 0.297 257 F C 1.170 176.952 175.800 -0.030 0.000 1.113 257 F CA 0.046 57.955 58.000 -0.152 0.000 1.367 257 F CB 0.407 39.250 39.000 -0.262 0.000 1.111 257 F HN 0.249 nan 8.300 nan 0.000 0.590 258 D N 1.158 121.617 120.400 0.099 0.000 2.329 258 D HA 0.105 4.746 4.640 0.001 0.000 0.246 258 D C -1.488 174.697 176.300 -0.191 0.000 1.111 258 D CA -1.844 52.135 54.000 -0.036 0.000 0.941 258 D CB 0.469 41.249 40.800 -0.033 0.000 1.169 258 D HN -0.133 nan 8.370 nan 0.000 0.441 259 P HA -0.128 nan 4.420 nan 0.000 0.218 259 P C 0.835 177.975 177.300 -0.267 0.000 1.148 259 P CA 1.502 64.101 63.100 -0.836 0.000 0.822 259 P CB 0.179 30.892 31.700 -1.644 0.000 0.784 260 A N -0.230 122.549 122.820 -0.070 0.000 1.929 260 A HA -0.175 4.145 4.320 0.001 0.000 0.216 260 A C 1.929 179.648 177.584 0.225 0.000 1.176 260 A CA 1.763 53.968 52.037 0.280 0.000 0.628 260 A CB -1.213 17.963 19.000 0.294 0.000 0.816 260 A HN 0.079 nan 8.150 nan 0.000 0.444 261 D N -0.027 120.445 120.400 0.120 0.000 2.084 261 D HA -0.152 4.488 4.640 0.001 0.000 0.194 261 D C 2.030 178.396 176.300 0.110 0.000 0.990 261 D CA 1.484 55.542 54.000 0.096 0.000 0.826 261 D CB -0.432 40.391 40.800 0.037 0.000 0.971 261 D HN 0.452 nan 8.370 nan 0.000 0.453 262 M N -0.650 119.024 119.600 0.122 0.000 2.159 262 M HA -0.172 4.308 4.480 0.001 0.000 0.263 262 M C 2.176 178.513 176.300 0.063 0.000 1.063 262 M CA 0.994 56.344 55.300 0.083 0.000 1.110 262 M CB -0.303 32.475 32.600 0.296 0.000 1.374 262 M HN 0.041 nan 8.290 nan 0.000 0.411 263 Y N 0.916 121.254 120.300 0.064 0.000 2.181 263 Y HA -0.255 4.296 4.550 0.001 0.000 0.288 263 Y C 2.600 178.527 175.900 0.043 0.000 1.146 263 Y CA 1.917 60.010 58.100 -0.011 0.000 1.164 263 Y CB -0.284 38.276 38.460 0.166 0.000 0.982 263 Y HN 0.109 nan 8.280 nan 0.000 0.515 264 R N -1.106 119.466 120.500 0.121 0.000 2.081 264 R HA -0.252 4.089 4.340 0.001 0.000 0.235 264 R C 2.255 178.562 176.300 0.011 0.000 1.131 264 R CA 1.754 57.884 56.100 0.050 0.000 0.960 264 R CB -0.936 29.424 30.300 0.100 0.000 0.856 264 R HN 0.529 nan 8.270 nan 0.000 0.436 265 Y N -0.134 120.099 120.300 -0.113 0.000 2.151 265 Y HA -0.297 4.254 4.550 0.001 0.000 0.284 265 Y C 1.348 177.154 175.900 -0.157 0.000 1.166 265 Y CA 1.892 59.895 58.100 -0.162 0.000 1.163 265 Y CB -0.175 38.061 38.460 -0.374 0.000 0.974 265 Y HN 0.128 nan 8.280 nan 0.000 0.511 266 Y N 0.145 120.429 120.300 -0.026 0.000 2.561 266 Y HA -0.097 4.453 4.550 0.001 0.000 0.291 266 Y C 1.917 177.668 175.900 -0.249 0.000 1.141 266 Y CA 0.821 58.808 58.100 -0.189 0.000 1.303 266 Y CB -0.441 37.792 38.460 -0.377 0.000 1.015 266 Y HN 0.221 nan 8.280 nan 0.000 0.547 267 D N -0.344 119.969 120.400 -0.146 0.000 2.234 267 D HA -0.067 4.573 4.640 0.001 0.000 0.205 267 D C 1.531 177.764 176.300 -0.111 0.000 0.962 267 D CA 1.140 55.044 54.000 -0.160 0.000 0.855 267 D CB 0.120 40.819 40.800 -0.169 0.000 0.951 267 D HN 0.334 nan 8.370 nan 0.000 0.500 268 K N -0.794 119.536 120.400 -0.116 0.000 2.354 268 K HA 0.113 4.434 4.320 0.001 0.000 0.194 268 K C 0.272 176.636 176.600 -0.394 0.000 1.045 268 K CA 0.220 56.368 56.287 -0.231 0.000 1.026 268 K CB 0.794 33.129 32.500 -0.275 0.000 0.866 268 K HN 0.211 nan 8.250 nan 0.000 0.530 269 H N -0.001 118.912 119.070 -0.261 0.000 2.547 269 H HA 0.510 5.066 4.556 0.001 0.000 0.342 269 H C 0.116 175.436 175.328 -0.013 0.000 1.048 269 H CA -0.580 55.342 56.048 -0.211 0.000 1.204 269 H CB 2.084 31.575 29.762 -0.451 0.000 1.493 269 H HN 0.287 nan 8.280 nan 0.000 0.511 270 G N 2.099 110.995 108.800 0.159 0.000 2.359 270 G HA2 0.026 3.986 3.960 0.001 0.000 0.293 270 G HA3 0.026 3.986 3.960 0.001 0.000 0.293 270 G C -1.243 173.703 174.900 0.076 0.000 1.300 270 G CA -0.336 44.889 45.100 0.208 0.000 0.888 270 G HN 0.638 nan 8.290 nan 0.000 0.541 271 D N -1.138 119.268 120.400 0.010 0.000 2.651 271 D HA 0.239 4.879 4.640 0.001 0.000 0.280 271 D C 0.536 176.809 176.300 -0.045 0.000 1.496 271 D CA -0.397 53.598 54.000 -0.009 0.000 0.792 271 D CB -0.237 40.569 40.800 0.009 0.000 1.144 271 D HN 0.501 nan 8.370 nan 0.000 0.470 272 L N 0.451 121.637 121.223 -0.063 0.000 2.467 272 L HA 0.248 4.589 4.340 0.001 0.000 0.270 272 L C 1.142 177.996 176.870 -0.027 0.000 1.205 272 L CA 0.329 55.129 54.840 -0.066 0.000 0.828 272 L CB 1.120 43.136 42.059 -0.072 0.000 1.101 272 L HN 0.070 nan 8.230 nan 0.000 0.479 273 Q N 0.772 120.557 119.800 -0.025 0.000 2.157 273 Q HA 0.161 4.502 4.340 0.001 0.000 0.235 273 Q C -0.381 175.621 176.000 0.002 0.000 0.803 273 Q CA -0.262 55.536 55.803 -0.010 0.000 0.967 273 Q CB 1.357 30.087 28.738 -0.013 0.000 1.150 273 Q HN 0.461 nan 8.270 nan 0.000 0.482 274 V N 2.624 122.538 119.914 0.000 0.000 2.720 274 V HA -0.100 4.021 4.120 0.001 0.000 0.307 274 V C 0.605 176.754 176.094 0.092 0.000 1.071 274 V CA 0.690 63.005 62.300 0.024 0.000 1.199 274 V CB 0.370 32.173 31.823 -0.034 0.000 0.900 274 V HN 0.147 nan 8.190 nan 0.000 0.494 275 K N 2.965 123.409 120.400 0.074 0.000 2.416 275 K HA 0.357 4.678 4.320 0.001 0.000 0.283 275 K C 1.185 177.840 176.600 0.091 0.000 1.037 275 K CA 0.934 57.254 56.287 0.056 0.000 0.995 275 K CB 0.316 32.829 32.500 0.022 0.000 0.938 275 K HN 1.063 nan 8.250 nan 0.000 0.475 276 G N 3.730 112.518 108.800 -0.020 0.000 2.279 276 G HA2 -0.235 3.726 3.960 0.001 0.000 0.223 276 G HA3 -0.235 3.726 3.960 0.001 0.000 0.223 276 G C 0.222 174.840 174.900 -0.469 0.000 1.015 276 G CA -0.141 44.813 45.100 -0.243 0.000 0.621 276 G HN 0.584 nan 8.290 nan 0.000 0.506 277 F N 2.177 122.075 119.950 -0.088 0.000 2.814 277 F HA 0.479 5.007 4.527 0.001 0.000 0.326 277 F C 0.386 176.130 175.800 -0.094 0.000 1.159 277 F CA -0.827 57.113 58.000 -0.100 0.000 1.234 277 F CB 0.704 39.633 39.000 -0.117 0.000 1.016 277 F HN 0.013 nan 8.300 nan 0.000 0.510 278 E N 0.487 120.712 120.200 0.041 0.000 2.415 278 E HA 0.396 4.746 4.350 0.001 0.000 0.260 278 E C 1.270 177.861 176.600 -0.016 0.000 1.016 278 E CA 0.944 57.348 56.400 0.007 0.000 0.924 278 E CB 0.241 29.933 29.700 -0.015 0.000 0.961 278 E HN 0.482 nan 8.360 nan 0.000 0.459 279 G N 2.816 111.607 108.800 -0.016 0.000 2.159 279 G HA2 -0.334 3.627 3.960 0.001 0.000 0.256 279 G HA3 -0.334 3.627 3.960 0.001 0.000 0.256 279 G C 0.077 174.964 174.900 -0.023 0.000 0.977 279 G CA 0.046 45.129 45.100 -0.029 0.000 0.652 279 G HN 0.403 nan 8.290 nan 0.000 0.531 280 K N -0.672 119.725 120.400 -0.005 0.000 2.087 280 K HA 0.600 4.920 4.320 0.001 0.000 0.255 280 K C -0.363 176.245 176.600 0.013 0.000 0.988 280 K CA -0.902 55.389 56.287 0.006 0.000 0.915 280 K CB 1.161 33.676 32.500 0.024 0.000 1.043 280 K HN 0.063 nan 8.250 nan 0.000 0.457 281 F N 1.214 121.092 119.950 -0.120 0.000 2.412 281 F HA 0.358 4.885 4.527 0.001 0.000 0.348 281 F C -0.413 175.228 175.800 -0.266 0.000 1.102 281 F CA -0.114 57.780 58.000 -0.177 0.000 1.196 281 F CB 0.820 39.701 39.000 -0.199 0.000 1.144 281 F HN 0.496 nan 8.300 nan 0.000 0.541 282 A N 5.173 127.525 122.820 -0.780 0.000 2.398 282 A HA 0.339 4.660 4.320 0.001 0.000 0.301 282 A C 0.001 177.185 177.584 -0.666 0.000 1.041 282 A CA -0.656 51.039 52.037 -0.569 0.000 0.711 282 A CB 0.930 19.670 19.000 -0.434 0.000 1.240 282 A HN 0.780 nan 8.150 nan 0.000 0.420 283 D N 0.580 120.834 120.400 -0.243 0.000 2.213 283 D HA 0.098 4.739 4.640 0.001 0.000 0.205 283 D C 0.254 176.716 176.300 0.270 0.000 0.961 283 D CA 1.880 55.923 54.000 0.072 0.000 0.853 283 D CB 0.245 41.158 40.800 0.187 0.000 0.967 283 D HN 0.750 nan 8.370 nan 0.000 0.496 284 W N -0.375 120.806 121.300 -0.199 0.000 2.937 284 W HA 0.340 5.001 4.660 0.002 0.000 0.360 284 W C -1.521 174.922 176.519 -0.126 0.000 1.215 284 W CA -0.920 56.374 57.345 -0.084 0.000 1.183 284 W CB 0.682 30.186 29.460 0.074 0.000 1.458 284 W HN -0.273 nan 8.180 nan 0.000 0.574 285 T N 0.038 114.442 114.554 -0.251 0.000 2.792 285 T HA 0.264 4.615 4.350 0.001 0.000 0.280 285 T C -0.798 173.720 174.700 -0.303 0.000 0.990 285 T CA -0.453 61.384 62.100 -0.438 0.000 0.960 285 T CB 0.856 69.565 68.868 -0.265 0.000 0.939 285 T HN 0.740 nan 8.240 nan 0.000 0.439 286 H N 5.363 124.129 119.070 -0.506 0.000 3.026 286 H HA 0.168 4.725 4.556 0.001 0.000 0.289 286 H C -1.896 173.349 175.328 -0.138 0.000 1.022 286 H CA -1.344 54.604 56.048 -0.167 0.000 1.477 286 H CB 1.522 31.165 29.762 -0.197 0.000 1.510 286 H HN 0.500 nan 8.280 nan 0.000 0.535 287 P HA -0.121 nan 4.420 nan 0.000 0.218 287 P C 0.958 178.100 177.300 -0.263 0.000 1.148 287 P CA 1.797 64.855 63.100 -0.070 0.000 0.822 287 P CB 0.275 31.985 31.700 0.016 0.000 0.784 288 A N -0.256 122.357 122.820 -0.344 0.000 1.861 288 A HA -0.080 4.241 4.320 0.001 0.000 0.212 288 A C 2.306 179.532 177.584 -0.597 0.000 1.199 288 A CA 1.878 53.364 52.037 -0.917 0.000 0.613 288 A CB -1.289 16.997 19.000 -1.189 0.000 0.846 288 A HN 0.301 nan 8.150 nan 0.000 0.446 289 S N -1.639 113.888 115.700 -0.288 0.000 2.501 289 S HA 0.054 4.525 4.470 0.001 0.000 0.220 289 S C 0.492 174.983 174.600 -0.181 0.000 0.997 289 S CA 0.772 58.828 58.200 -0.241 0.000 0.919 289 S CB 0.009 63.099 63.200 -0.183 0.000 0.778 289 S HN 0.380 nan 8.310 nan 0.000 0.523 290 K N 1.291 121.599 120.400 -0.154 0.000 3.125 290 K HA -0.100 4.221 4.320 0.001 0.000 0.268 290 K C -0.767 175.704 176.600 -0.217 0.000 1.078 290 K CA 0.959 57.153 56.287 -0.155 0.000 0.775 290 K CB -3.206 29.217 32.500 -0.128 0.000 1.253 290 K HN 0.576 nan 8.250 nan 0.000 0.486 291 T N 2.077 116.489 114.554 -0.237 0.000 2.795 291 T HA 0.402 4.752 4.350 0.001 0.000 0.282 291 T C -2.531 171.878 174.700 -0.484 0.000 0.980 291 T CA -1.687 60.206 62.100 -0.345 0.000 1.012 291 T CB 1.858 70.575 68.868 -0.253 0.000 0.936 291 T HN -0.121 nan 8.240 nan 0.000 0.457 292 P HA 0.211 nan 4.420 nan 0.000 0.274 292 P C -0.397 176.557 177.300 -0.575 0.000 1.291 292 P CA -0.265 62.450 63.100 -0.643 0.000 0.815 292 P CB 0.216 31.456 31.700 -0.767 0.000 0.897 293 M N 3.671 122.836 119.600 -0.725 0.000 2.409 293 M HA 0.412 4.893 4.480 0.001 0.000 0.329 293 M C 0.368 176.379 176.300 -0.482 0.000 1.180 293 M CA -0.713 54.151 55.300 -0.725 0.000 1.053 293 M CB 0.757 32.465 32.600 -1.487 0.000 1.586 293 M HN 0.158 nan 8.290 nan 0.000 0.461 294 I N 1.500 121.909 120.570 -0.269 0.000 2.359 294 I HA 0.332 4.502 4.170 0.001 0.000 0.294 294 I C 0.044 176.181 176.117 0.034 0.000 0.987 294 I CA -0.783 60.415 61.300 -0.171 0.000 1.225 294 I CB 1.203 38.998 38.000 -0.341 0.000 1.366 294 I HN 0.539 nan 8.210 nan 0.000 0.466 295 K N 5.219 125.620 120.400 0.001 0.000 2.211 295 K HA 0.681 5.002 4.320 0.001 0.000 0.275 295 K C -0.599 175.921 176.600 -0.134 0.000 1.024 295 K CA -0.204 56.011 56.287 -0.119 0.000 0.887 295 K CB 1.255 33.504 32.500 -0.418 0.000 1.084 295 K HN 0.718 nan 8.250 nan 0.000 0.463 296 A N 3.975 126.707 122.820 -0.147 0.000 2.293 296 A HA 0.548 4.869 4.320 0.001 0.000 0.302 296 A C -1.018 176.333 177.584 -0.387 0.000 1.119 296 A CA -0.495 51.432 52.037 -0.184 0.000 0.823 296 A CB 0.742 19.586 19.000 -0.260 0.000 1.097 296 A HN 0.732 nan 8.150 nan 0.000 0.491 297 Q N 0.321 119.850 119.800 -0.451 0.000 2.285 297 Q HA 0.436 4.777 4.340 0.001 0.000 0.269 297 Q C -1.133 174.479 176.000 -0.646 0.000 1.030 297 Q CA -0.544 54.845 55.803 -0.689 0.000 0.788 297 Q CB 1.391 29.565 28.738 -0.941 0.000 1.266 297 Q HN 0.938 nan 8.270 nan 0.000 0.438 298 H N -0.280 118.817 119.070 0.044 0.000 1.828 298 H HA -0.153 4.403 4.556 0.001 0.000 0.319 298 H C -2.199 173.151 175.328 0.036 0.000 0.826 298 H CA 0.026 56.127 56.048 0.089 0.000 1.059 298 H CB -1.112 28.760 29.762 0.183 0.000 1.545 298 H HN 0.366 nan 8.280 nan 0.000 0.285 299 P HA 0.078 nan 4.420 nan 0.000 0.214 299 P C 0.228 177.527 177.300 -0.002 0.000 1.807 299 P CA -0.203 62.845 63.100 -0.087 0.000 0.921 299 P CB 0.522 31.920 31.700 -0.504 0.000 1.835 300 E N -0.344 119.949 120.200 0.155 0.000 2.051 300 E HA -0.211 4.140 4.350 0.001 0.000 0.192 300 E C 1.567 178.233 176.600 0.111 0.000 0.991 300 E CA 1.473 57.981 56.400 0.180 0.000 0.799 300 E CB -0.796 29.005 29.700 0.168 0.000 0.748 300 E HN 0.327 nan 8.360 nan 0.000 0.449 301 Y N 1.340 121.640 120.300 -0.000 0.000 2.181 301 Y HA -0.219 4.332 4.550 0.001 0.000 0.288 301 Y C 1.594 177.421 175.900 -0.122 0.000 1.146 301 Y CA 1.815 59.887 58.100 -0.047 0.000 1.164 301 Y CB 0.166 38.592 38.460 -0.058 0.000 0.982 301 Y HN 0.003 nan 8.280 nan 0.000 0.515 302 E N -1.353 118.805 120.200 -0.070 0.000 2.285 302 E HA -0.068 4.283 4.350 0.001 0.000 0.194 302 E C 2.016 178.556 176.600 -0.101 0.000 0.997 302 E CA 1.387 57.659 56.400 -0.213 0.000 0.845 302 E CB -0.211 29.503 29.700 0.022 0.000 0.782 302 E HN 0.347 nan 8.360 nan 0.000 0.491 303 T N -0.018 114.523 114.554 -0.021 0.000 2.809 303 T HA -0.118 4.232 4.350 0.001 0.000 0.260 303 T C 1.342 176.040 174.700 -0.003 0.000 1.039 303 T CA 0.962 63.094 62.100 0.053 0.000 1.141 303 T CB -0.415 68.514 68.868 0.101 0.000 0.869 303 T HN 0.427 nan 8.240 nan 0.000 0.437 304 W N 2.884 124.036 121.300 -0.246 0.000 2.355 304 W HA -0.160 4.501 4.660 0.001 0.000 0.309 304 W C 1.582 177.873 176.519 -0.380 0.000 1.206 304 W CA 1.077 58.222 57.345 -0.333 0.000 1.284 304 W CB -0.568 28.599 29.460 -0.489 0.000 1.145 304 W HN 0.266 nan 8.180 nan 0.000 0.502 305 I N 1.879 121.965 120.570 -0.807 0.000 2.248 305 I HA -0.330 3.840 4.170 0.001 0.000 0.248 305 I C 1.674 177.244 176.117 -0.911 0.000 1.107 305 I CA 2.304 62.845 61.300 -1.266 0.000 1.373 305 I CB -1.517 35.839 38.000 -1.073 0.000 1.055 305 I HN 0.242 nan 8.210 nan 0.000 0.418 306 N N 0.542 118.899 118.700 -0.571 0.000 2.234 306 N HA 0.232 4.973 4.740 0.001 0.000 0.227 306 N C 0.451 175.786 175.510 -0.291 0.000 1.151 306 N CA 0.096 52.925 53.050 -0.369 0.000 0.865 306 N CB -0.273 38.084 38.487 -0.217 0.000 1.066 306 N HN 0.342 nan 8.380 nan 0.000 0.515 307 G N -0.375 108.219 108.800 -0.343 0.000 2.547 307 G HA2 0.244 4.204 3.960 0.001 0.000 0.291 307 G HA3 0.244 4.204 3.960 0.001 0.000 0.291 307 G C 0.956 175.701 174.900 -0.257 0.000 1.211 307 G CA 0.076 45.034 45.100 -0.236 0.000 0.950 307 G HN 0.136 nan 8.290 nan 0.000 0.504 308 T N -1.631 112.791 114.554 -0.219 0.000 2.737 308 T HA -0.245 4.106 4.350 0.001 0.000 0.269 308 T C 1.890 176.405 174.700 -0.309 0.000 1.040 308 T CA 2.548 64.490 62.100 -0.263 0.000 1.142 308 T CB -0.459 68.245 68.868 -0.273 0.000 0.861 308 T HN 0.582 nan 8.240 nan 0.000 0.456 309 H N -0.138 118.823 119.070 -0.183 0.000 2.317 309 H HA 0.299 4.856 4.556 0.001 0.000 0.304 309 H C 2.682 177.867 175.328 -0.238 0.000 1.067 309 H CA 1.301 57.280 56.048 -0.115 0.000 1.352 309 H CB -0.731 29.037 29.762 0.010 0.000 1.398 309 H HN 0.470 nan 8.280 nan 0.000 0.510 310 G N 0.346 108.847 108.800 -0.499 0.000 2.440 310 G HA2 -0.295 3.666 3.960 0.001 0.000 0.218 310 G HA3 -0.295 3.666 3.960 0.001 0.000 0.218 310 G C 1.867 176.325 174.900 -0.737 0.000 1.154 310 G CA 0.903 45.274 45.100 -1.216 0.000 0.767 310 G HN 0.502 nan 8.290 nan 0.000 0.552 311 A N 0.885 123.396 122.820 -0.515 0.000 1.972 311 A HA 0.346 4.667 4.320 0.001 0.000 0.219 311 A C 2.558 180.015 177.584 -0.211 0.000 1.169 311 A CA 1.960 53.799 52.037 -0.330 0.000 0.635 311 A CB -0.453 18.393 19.000 -0.257 0.000 0.810 311 A HN 0.833 nan 8.150 nan 0.000 0.446 312 A N -1.669 121.046 122.820 -0.176 0.000 2.259 312 A HA 0.425 4.746 4.320 0.001 0.000 0.208 312 A C 1.648 179.205 177.584 -0.045 0.000 1.201 312 A CA 1.066 53.045 52.037 -0.096 0.000 0.824 312 A CB -1.014 17.935 19.000 -0.084 0.000 0.838 312 A HN 1.869 nan 8.150 nan 0.000 0.485 313 G N -1.295 107.471 108.800 -0.056 0.000 2.147 313 G HA2 -0.185 3.776 3.960 0.001 0.000 0.244 313 G HA3 -0.185 3.776 3.960 0.001 0.000 0.244 313 G C 0.047 175.019 174.900 0.119 0.000 1.005 313 G CA 0.150 45.267 45.100 0.028 0.000 0.713 313 G HN 0.806 nan 8.290 nan 0.000 0.515 314 V N 0.737 120.748 119.914 0.162 0.000 2.432 314 V HA 0.691 4.812 4.120 0.001 0.000 0.275 314 V C 0.785 177.150 176.094 0.452 0.000 1.043 314 V CA 0.226 62.671 62.300 0.243 0.000 0.925 314 V CB 1.506 33.497 31.823 0.279 0.000 0.985 314 V HN 0.315 nan 8.190 nan 0.000 0.466 315 T N 2.948 117.666 114.554 0.272 0.000 2.942 315 T HA 0.240 4.591 4.350 0.001 0.000 0.289 315 T C 1.176 175.788 174.700 -0.147 0.000 1.044 315 T CA -0.443 61.737 62.100 0.133 0.000 1.023 315 T CB 1.393 70.309 68.868 0.080 0.000 1.123 315 T HN 0.813 nan 8.240 nan 0.000 0.512 316 C N 1.369 120.375 119.300 -0.489 0.000 2.413 316 C HA -0.036 4.425 4.460 0.001 0.000 0.276 316 C C 2.932 177.867 174.990 -0.093 0.000 1.248 316 C CA 0.855 59.670 59.018 -0.339 0.000 1.742 316 C CB -1.621 25.837 27.740 -0.470 0.000 2.017 316 C HN 0.960 nan 8.230 nan 0.000 0.481 317 A N 1.101 123.856 122.820 -0.108 0.000 1.972 317 A HA -0.176 4.145 4.320 0.001 0.000 0.219 317 A C 1.781 179.310 177.584 -0.092 0.000 1.169 317 A CA 2.032 54.033 52.037 -0.061 0.000 0.635 317 A CB -0.548 18.410 19.000 -0.071 0.000 0.810 317 A HN 0.549 nan 8.150 nan 0.000 0.446 318 D N -0.489 119.857 120.400 -0.090 0.000 2.123 318 D HA -0.126 4.514 4.640 0.001 0.000 0.196 318 D C 1.868 178.105 176.300 -0.105 0.000 0.992 318 D CA 1.601 55.539 54.000 -0.104 0.000 0.833 318 D CB -0.385 40.394 40.800 -0.035 0.000 0.954 318 D HN 0.490 nan 8.370 nan 0.000 0.455 319 C N -0.836 118.409 119.300 -0.092 0.000 2.558 319 C HA 0.106 4.567 4.460 0.001 0.000 0.288 319 C C 2.033 176.841 174.990 -0.302 0.000 1.338 319 C CA -0.103 58.804 59.018 -0.184 0.000 1.760 319 C CB -0.449 27.168 27.740 -0.205 0.000 2.159 319 C HN 0.433 nan 8.230 nan 0.000 0.518 320 H N -1.017 118.001 119.070 -0.088 0.000 2.705 320 H HA 0.311 4.868 4.556 0.001 0.000 0.269 320 H C 0.702 176.002 175.328 -0.047 0.000 0.998 320 H CA 0.604 56.615 56.048 -0.063 0.000 1.193 320 H CB 0.352 30.107 29.762 -0.012 0.000 1.485 320 H HN 0.427 nan 8.280 nan 0.000 0.521 321 M N 1.556 121.164 119.600 0.014 0.000 3.404 321 M HA 0.126 4.606 4.480 0.001 0.000 0.398 321 M C 0.000 176.218 176.300 -0.137 0.000 1.599 321 M CA -0.256 55.007 55.300 -0.062 0.000 0.696 321 M CB 1.100 33.683 32.600 -0.029 0.000 1.427 321 M HN -0.053 nan 8.290 nan 0.000 0.502 322 S N -0.564 115.060 115.700 -0.128 0.000 2.585 322 S HA 0.362 4.833 4.470 0.001 0.000 0.273 322 S C -0.368 174.197 174.600 -0.060 0.000 1.339 322 S CA -0.326 57.776 58.200 -0.162 0.000 1.028 322 S CB 0.519 63.662 63.200 -0.096 0.000 0.906 322 S HN 0.306 nan 8.310 nan 0.000 0.528 323 Y N 1.020 121.337 120.300 0.029 0.000 2.632 323 Y HA 0.363 4.913 4.550 0.001 0.000 0.329 323 Y C 1.242 177.166 175.900 0.039 0.000 1.174 323 Y CA -0.023 58.102 58.100 0.042 0.000 1.469 323 Y CB 0.084 38.570 38.460 0.043 0.000 1.242 323 Y HN 0.795 nan 8.280 nan 0.000 0.540 324 T N 4.917 119.602 114.554 0.219 0.000 2.841 324 T HA 0.440 4.790 4.350 0.001 0.000 0.285 324 T C -0.298 174.470 174.700 0.113 0.000 0.991 324 T CA -1.003 61.180 62.100 0.138 0.000 0.966 324 T CB 0.401 69.339 68.868 0.116 0.000 0.962 324 T HN 0.667 nan 8.240 nan 0.000 0.438 325 R N 3.645 124.197 120.500 0.086 0.000 3.657 325 R HA 0.236 4.577 4.340 0.001 0.000 0.220 325 R C 1.207 177.539 176.300 0.054 0.000 1.548 325 R CA -0.173 55.964 56.100 0.062 0.000 1.465 325 R CB 0.027 30.356 30.300 0.048 0.000 1.330 325 R HN 0.722 nan 8.270 nan 0.000 0.707 326 S N -1.230 114.505 115.700 0.058 0.000 2.505 326 S HA -0.022 4.448 4.470 0.001 0.000 0.216 326 S C 0.550 175.175 174.600 0.041 0.000 1.018 326 S CA -0.265 57.965 58.200 0.049 0.000 0.911 326 S CB 0.388 63.621 63.200 0.055 0.000 0.818 326 S HN 0.291 nan 8.310 nan 0.000 0.497 327 D N 2.364 122.790 120.400 0.044 0.000 2.500 327 D HA 0.322 4.963 4.640 0.001 0.000 0.219 327 D C 0.048 176.366 176.300 0.031 0.000 1.137 327 D CA 0.104 54.127 54.000 0.039 0.000 0.946 327 D CB -0.174 40.656 40.800 0.049 0.000 1.022 327 D HN 0.029 nan 8.370 nan 0.000 0.518 328 D N 1.925 122.340 120.400 0.025 0.000 3.927 328 D HA -0.256 4.385 4.640 0.001 0.000 0.142 328 D C 0.448 176.761 176.300 0.022 0.000 0.830 328 D CA 1.029 55.042 54.000 0.020 0.000 1.091 328 D CB -0.275 40.535 40.800 0.017 0.000 0.495 328 D HN 0.408 nan 8.370 nan 0.000 0.489 329 K N 1.243 121.655 120.400 0.020 0.000 2.455 329 K HA 0.231 4.552 4.320 0.001 0.000 0.206 329 K C -0.004 176.607 176.600 0.018 0.000 1.027 329 K CA 0.022 56.322 56.287 0.020 0.000 1.113 329 K CB 0.685 33.195 32.500 0.017 0.000 0.850 329 K HN 0.269 nan 8.250 nan 0.000 0.503 330 K N 1.361 121.773 120.400 0.019 0.000 2.144 330 K HA 0.212 4.533 4.320 0.001 0.000 0.270 330 K C -0.037 176.575 176.600 0.020 0.000 1.005 330 K CA -0.278 56.017 56.287 0.012 0.000 0.932 330 K CB 1.158 33.668 32.500 0.016 0.000 1.021 330 K HN -0.159 nan 8.250 nan 0.000 0.462 331 K N 2.465 122.861 120.400 -0.005 0.000 2.326 331 K HA 0.193 4.514 4.320 0.001 0.000 0.275 331 K C 0.171 176.800 176.600 0.048 0.000 1.018 331 K CA -0.089 56.202 56.287 0.007 0.000 0.962 331 K CB 0.329 32.751 32.500 -0.130 0.000 0.953 331 K HN 0.487 nan 8.250 nan 0.000 0.475 332 I N -2.349 118.293 120.570 0.121 0.000 3.067 332 I HA 0.421 4.591 4.170 0.001 0.000 0.312 332 I C -0.541 175.748 176.117 0.286 0.000 1.073 332 I CA -0.863 60.542 61.300 0.175 0.000 1.016 332 I CB 2.292 40.380 38.000 0.147 0.000 1.227 332 I HN 0.210 nan 8.210 nan 0.000 0.456 333 S N 2.175 118.070 115.700 0.325 0.000 2.465 333 S HA 0.193 4.664 4.470 0.001 0.000 0.279 333 S C 0.047 174.778 174.600 0.219 0.000 1.201 333 S CA -0.368 58.003 58.200 0.285 0.000 1.053 333 S CB 0.693 64.042 63.200 0.250 0.000 0.953 333 S HN 0.685 nan 8.310 nan 0.000 0.488 334 S N 2.120 117.883 115.700 0.104 0.000 2.575 334 S HA -0.037 4.434 4.470 0.001 0.000 0.295 334 S C 0.215 174.728 174.600 -0.145 0.000 1.267 334 S CA 0.032 58.258 58.200 0.044 0.000 1.074 334 S CB -0.005 63.206 63.200 0.018 0.000 0.829 334 S HN 0.722 nan 8.310 nan 0.000 0.497 335 H N 3.202 122.117 119.070 -0.259 0.000 2.487 335 H HA 0.252 4.809 4.556 0.001 0.000 0.290 335 H C -0.918 173.742 175.328 -1.114 0.000 1.081 335 H CA -0.302 55.316 56.048 -0.717 0.000 1.116 335 H CB 0.131 29.649 29.762 -0.406 0.000 1.560 335 H HN 0.641 nan 8.280 nan 0.000 0.548 336 W N 2.033 122.890 121.300 -0.739 0.000 2.311 336 W HA 0.240 4.901 4.660 0.001 0.000 0.317 336 W C -1.308 174.941 176.519 -0.449 0.000 1.065 336 W CA -1.720 55.306 57.345 -0.533 0.000 1.364 336 W CB 0.159 29.463 29.460 -0.260 0.000 1.233 336 W HN 0.154 nan 8.180 nan 0.000 0.409 337 W N 7.166 128.506 121.300 0.067 0.000 2.311 337 W HA 0.446 5.107 4.660 0.001 0.000 0.317 337 W C 0.182 176.574 176.519 -0.212 0.000 1.065 337 W CA -0.485 56.788 57.345 -0.119 0.000 1.364 337 W CB 0.759 30.088 29.460 -0.218 0.000 1.233 337 W HN 0.239 nan 8.180 nan 0.000 0.409 338 T N 0.692 115.188 114.554 -0.096 0.000 2.653 338 T HA 0.178 4.529 4.350 0.001 0.000 0.306 338 T C -0.665 173.955 174.700 -0.135 0.000 1.426 338 T CA -0.429 61.541 62.100 -0.217 0.000 1.008 338 T CB 1.245 69.744 68.868 -0.616 0.000 1.692 338 T HN 0.128 nan 8.240 nan 0.000 0.483 339 S N 1.351 116.949 115.700 -0.169 0.000 2.531 339 S HA 0.324 4.795 4.470 0.001 0.000 0.279 339 S C -1.703 172.737 174.600 -0.267 0.000 1.305 339 S CA -0.869 57.249 58.200 -0.137 0.000 1.058 339 S CB 0.726 63.865 63.200 -0.102 0.000 0.899 339 S HN 0.479 nan 8.310 nan 0.000 0.493 340 P HA -0.002 nan 4.420 nan 0.000 0.230 340 P C 1.103 178.269 177.300 -0.224 0.000 1.158 340 P CA 0.822 63.741 63.100 -0.301 0.000 0.769 340 P CB 0.058 31.556 31.700 -0.337 0.000 0.807 341 M N -1.203 118.281 119.600 -0.192 0.000 2.686 341 M HA -0.012 4.468 4.480 0.001 0.000 0.246 341 M C 1.466 177.698 176.300 -0.113 0.000 1.096 341 M CA 1.089 56.304 55.300 -0.142 0.000 1.076 341 M CB -0.707 31.820 32.600 -0.121 0.000 1.504 341 M HN 0.052 nan 8.290 nan 0.000 0.524 342 K N 0.331 120.642 120.400 -0.149 0.000 2.217 342 K HA -0.080 4.241 4.320 0.001 0.000 0.202 342 K C 0.485 177.050 176.600 -0.058 0.000 1.051 342 K CA 0.487 56.708 56.287 -0.110 0.000 0.952 342 K CB 0.039 32.421 32.500 -0.197 0.000 0.736 342 K HN 0.157 nan 8.250 nan 0.000 0.453 343 D N 0.894 121.244 120.400 -0.083 0.000 2.325 343 D HA 0.030 4.671 4.640 0.001 0.000 0.251 343 D C -1.745 174.540 176.300 -0.025 0.000 1.196 343 D CA -2.359 51.623 54.000 -0.030 0.000 0.866 343 D CB 1.426 42.202 40.800 -0.040 0.000 1.101 343 D HN -0.070 nan 8.370 nan 0.000 0.476 344 P HA -0.038 nan 4.420 nan 0.000 0.229 344 P C 0.388 177.688 177.300 0.000 0.000 1.160 344 P CA 0.588 63.685 63.100 -0.004 0.000 0.777 344 P CB 0.557 32.261 31.700 0.007 0.000 0.814 345 E N -0.574 119.629 120.200 0.006 0.000 2.474 345 E HA 0.162 4.512 4.350 0.001 0.000 0.195 345 E C 0.820 177.426 176.600 0.010 0.000 1.039 345 E CA -0.273 56.134 56.400 0.013 0.000 0.881 345 E CB -0.366 29.346 29.700 0.021 0.000 0.970 345 E HN 0.093 nan 8.360 nan 0.000 0.486 346 M N 0.692 120.286 119.600 -0.009 0.000 2.253 346 M HA -0.292 4.189 4.480 0.001 0.000 0.199 346 M C 1.256 177.555 176.300 -0.002 0.000 0.342 346 M CA 0.527 55.815 55.300 -0.020 0.000 0.417 346 M CB -1.528 31.065 32.600 -0.012 0.000 1.338 346 M HN 0.172 nan 8.290 nan 0.000 0.920 347 R N 0.998 121.497 120.500 -0.000 0.000 2.139 347 R HA -0.099 4.241 4.340 0.001 0.000 0.243 347 R C 1.809 178.117 176.300 0.013 0.000 1.145 347 R CA 2.178 58.288 56.100 0.017 0.000 0.976 347 R CB -0.203 30.111 30.300 0.024 0.000 0.866 347 R HN 0.614 nan 8.270 nan 0.000 0.449 348 A N 0.013 122.822 122.820 -0.019 0.000 1.969 348 A HA -0.128 4.193 4.320 0.001 0.000 0.218 348 A C 2.433 180.016 177.584 -0.001 0.000 1.169 348 A CA 1.408 53.424 52.037 -0.035 0.000 0.635 348 A CB -0.516 18.425 19.000 -0.099 0.000 0.810 348 A HN 0.591 nan 8.150 nan 0.000 0.445 349 C N -1.416 117.905 119.300 0.035 0.000 2.634 349 C HA 0.217 4.678 4.460 0.001 0.000 0.268 349 C C 2.077 177.160 174.990 0.154 0.000 1.322 349 C CA -0.133 58.965 59.018 0.133 0.000 1.737 349 C CB -0.992 26.849 27.740 0.167 0.000 1.976 349 C HN 0.489 nan 8.230 nan 0.000 0.547 350 R N 0.859 121.417 120.500 0.096 0.000 2.426 350 R HA 0.090 4.430 4.340 0.001 0.000 0.263 350 R C 1.376 177.716 176.300 0.066 0.000 0.961 350 R CA 0.173 56.332 56.100 0.099 0.000 1.086 350 R CB 0.079 30.425 30.300 0.077 0.000 1.186 350 R HN 0.549 nan 8.270 nan 0.000 0.537 351 Q N -0.655 119.172 119.800 0.045 0.000 2.304 351 Q HA 0.034 4.375 4.340 0.001 0.000 0.204 351 Q C 1.998 177.994 176.000 -0.006 0.000 0.936 351 Q CA 0.825 56.646 55.803 0.029 0.000 0.878 351 Q CB -0.151 28.610 28.738 0.039 0.000 0.983 351 Q HN 0.243 nan 8.270 nan 0.000 0.516 352 C N 0.634 119.896 119.300 -0.062 0.000 2.450 352 C HA -0.035 4.426 4.460 0.001 0.000 0.279 352 C C 1.268 176.094 174.990 -0.273 0.000 1.335 352 C CA 0.292 59.193 59.018 -0.196 0.000 1.749 352 C CB -0.652 26.909 27.740 -0.297 0.000 1.963 352 C HN 0.424 nan 8.230 nan 0.000 0.501 353 H N 0.303 119.414 119.070 0.068 0.000 2.507 353 H HA 0.159 4.716 4.556 0.001 0.000 0.271 353 H C 1.506 176.859 175.328 0.041 0.000 1.224 353 H CA 0.354 56.440 56.048 0.064 0.000 1.000 353 H CB -0.053 29.769 29.762 0.100 0.000 1.663 353 H HN 0.520 nan 8.280 nan 0.000 0.548 354 S N -0.139 115.621 115.700 0.101 0.000 2.474 354 S HA -0.149 4.321 4.470 0.001 0.000 0.235 354 S C 1.384 176.014 174.600 0.049 0.000 0.997 354 S CA 0.940 59.180 58.200 0.067 0.000 0.949 354 S CB 0.044 63.268 63.200 0.041 0.000 0.766 354 S HN 0.496 nan 8.310 nan 0.000 0.517 355 D N 0.346 120.773 120.400 0.045 0.000 2.340 355 D HA 0.056 4.697 4.640 0.001 0.000 0.220 355 D C 0.145 176.424 176.300 -0.035 0.000 1.039 355 D CA 0.167 54.169 54.000 0.002 0.000 0.866 355 D CB 0.027 40.821 40.800 -0.009 0.000 0.913 355 D HN 0.151 nan 8.370 nan 0.000 0.523 356 K N 1.159 121.561 120.400 0.003 0.000 2.207 356 K HA 0.298 4.619 4.320 0.001 0.000 0.255 356 K C 0.369 176.996 176.600 0.045 0.000 0.941 356 K CA -0.501 55.768 56.287 -0.029 0.000 0.825 356 K CB 1.785 34.306 32.500 0.036 0.000 1.119 356 K HN 0.137 nan 8.250 nan 0.000 0.430 357 T N -1.194 113.394 114.554 0.056 0.000 2.868 357 T HA 0.214 4.565 4.350 0.001 0.000 0.292 357 T C -1.751 173.010 174.700 0.102 0.000 1.028 357 T CA -1.466 60.679 62.100 0.074 0.000 1.059 357 T CB 0.885 69.796 68.868 0.071 0.000 0.991 357 T HN 0.137 nan 8.240 nan 0.000 0.531 358 P HA -0.075 nan 4.420 nan 0.000 0.216 358 P C 0.681 178.004 177.300 0.038 0.000 1.150 358 P CA 1.230 64.356 63.100 0.045 0.000 0.843 358 P CB -0.073 31.643 31.700 0.027 0.000 0.787 359 D N -2.299 118.132 120.400 0.051 0.000 2.144 359 D HA -0.191 4.450 4.640 0.001 0.000 0.200 359 D C 1.826 178.151 176.300 0.042 0.000 0.978 359 D CA 0.824 54.846 54.000 0.038 0.000 0.833 359 D CB -0.855 39.971 40.800 0.044 0.000 0.961 359 D HN 0.205 nan 8.370 nan 0.000 0.470 360 Y N 1.395 121.685 120.300 -0.017 0.000 2.114 360 Y HA -0.160 4.391 4.550 0.001 0.000 0.284 360 Y C 1.824 177.701 175.900 -0.040 0.000 1.143 360 Y CA 1.339 59.424 58.100 -0.025 0.000 1.135 360 Y CB -0.257 38.187 38.460 -0.027 0.000 0.980 360 Y HN -0.080 nan 8.280 nan 0.000 0.499 361 L N 0.235 121.494 121.223 0.060 0.000 2.079 361 L HA -0.257 4.084 4.340 0.001 0.000 0.210 361 L C 2.538 179.320 176.870 -0.146 0.000 1.081 361 L CA 1.804 56.615 54.840 -0.049 0.000 0.752 361 L CB -0.549 41.515 42.059 0.009 0.000 0.896 361 L HN 0.160 nan 8.230 nan 0.000 0.433 362 K N -0.204 120.128 120.400 -0.114 0.000 2.155 362 K HA -0.136 4.185 4.320 0.001 0.000 0.203 362 K C 2.398 178.930 176.600 -0.113 0.000 1.052 362 K CA 1.405 57.621 56.287 -0.118 0.000 0.948 362 K CB 0.037 32.493 32.500 -0.073 0.000 0.728 362 K HN 0.348 nan 8.250 nan 0.000 0.448 363 S N 0.228 115.842 115.700 -0.143 0.000 2.406 363 S HA -0.033 4.438 4.470 0.001 0.000 0.228 363 S C 1.828 176.358 174.600 -0.117 0.000 1.020 363 S CA 0.310 58.439 58.200 -0.118 0.000 0.965 363 S CB -0.042 63.075 63.200 -0.140 0.000 0.798 363 S HN 0.157 nan 8.310 nan 0.000 0.488 364 R N 1.272 121.622 120.500 -0.251 0.000 2.090 364 R HA 0.176 4.517 4.340 0.001 0.000 0.228 364 R C 2.393 178.730 176.300 0.061 0.000 1.110 364 R CA 1.044 57.045 56.100 -0.163 0.000 0.973 364 R CB -1.746 28.378 30.300 -0.294 0.000 0.869 364 R HN 0.446 nan 8.270 nan 0.000 0.440 365 V N 1.862 121.760 119.914 -0.026 0.000 2.255 365 V HA -0.228 3.893 4.120 0.001 0.000 0.247 365 V C 2.513 178.648 176.094 0.069 0.000 1.051 365 V CA 1.672 63.934 62.300 -0.063 0.000 1.018 365 V CB -0.564 31.011 31.823 -0.412 0.000 0.641 365 V HN 0.187 nan 8.190 nan 0.000 0.445 366 L N -1.371 119.882 121.223 0.049 0.000 2.131 366 L HA -0.196 4.145 4.340 0.001 0.000 0.210 366 L C 2.365 179.310 176.870 0.125 0.000 1.092 366 L CA 1.664 56.563 54.840 0.098 0.000 0.759 366 L CB -0.637 41.471 42.059 0.082 0.000 0.903 366 L HN 0.329 nan 8.230 nan 0.000 0.435 367 F N 0.954 120.906 119.950 0.003 0.000 2.065 367 F HA -0.312 4.216 4.527 0.001 0.000 0.298 367 F C 2.514 178.328 175.800 0.023 0.000 1.112 367 F CA 2.321 60.325 58.000 0.007 0.000 1.212 367 F CB -0.297 38.696 39.000 -0.013 0.000 0.975 367 F HN -0.045 nan 8.300 nan 0.000 0.476 368 T N 0.051 114.755 114.554 0.251 0.000 2.643 368 T HA -0.238 4.113 4.350 0.001 0.000 0.264 368 T C 1.864 176.568 174.700 0.007 0.000 1.045 368 T CA 1.806 63.990 62.100 0.139 0.000 1.155 368 T CB -0.437 68.570 68.868 0.232 0.000 0.863 368 T HN 0.367 nan 8.240 nan 0.000 0.420 369 Q N 0.543 120.334 119.800 -0.015 0.000 2.135 369 Q HA -0.156 4.185 4.340 0.001 0.000 0.204 369 Q C 2.362 178.123 176.000 -0.399 0.000 0.981 369 Q CA 1.423 57.090 55.803 -0.226 0.000 0.856 369 Q CB -0.191 28.378 28.738 -0.281 0.000 0.902 369 Q HN 0.472 nan 8.270 nan 0.000 0.425 370 K N 1.081 121.368 120.400 -0.187 0.000 2.025 370 K HA -0.131 4.190 4.320 0.001 0.000 0.207 370 K C 2.038 178.598 176.600 -0.066 0.000 1.049 370 K CA 1.007 57.255 56.287 -0.066 0.000 0.933 370 K CB 0.053 32.580 32.500 0.045 0.000 0.714 370 K HN 0.012 nan 8.250 nan 0.000 0.438 371 R N -0.031 120.397 120.500 -0.119 0.000 2.105 371 R HA -0.090 4.251 4.340 0.001 0.000 0.239 371 R C 2.312 178.571 176.300 -0.068 0.000 1.135 371 R CA 1.975 58.007 56.100 -0.112 0.000 0.967 371 R CB -0.456 29.742 30.300 -0.169 0.000 0.861 371 R HN 0.297 nan 8.270 nan 0.000 0.442 372 T N 0.623 115.137 114.554 -0.067 0.000 2.737 372 T HA -0.132 4.219 4.350 0.001 0.000 0.265 372 T C 1.368 176.054 174.700 -0.024 0.000 1.038 372 T CA 1.165 63.243 62.100 -0.036 0.000 1.144 372 T CB -0.279 68.573 68.868 -0.027 0.000 0.866 372 T HN 0.138 nan 8.240 nan 0.000 0.434 373 F N 2.200 122.016 119.950 -0.222 0.000 2.146 373 F HA -0.084 4.443 4.527 0.001 0.000 0.298 373 F C 1.972 177.731 175.800 -0.068 0.000 1.096 373 F CA 1.159 59.052 58.000 -0.178 0.000 1.275 373 F CB -0.240 38.558 39.000 -0.336 0.000 1.008 373 F HN 0.057 nan 8.300 nan 0.000 0.480 374 D N 0.227 120.635 120.400 0.013 0.000 2.117 374 D HA -0.176 4.464 4.640 0.001 0.000 0.198 374 D C 2.521 178.761 176.300 -0.100 0.000 0.982 374 D CA 1.035 55.016 54.000 -0.032 0.000 0.828 374 D CB -0.588 40.224 40.800 0.022 0.000 0.967 374 D HN 0.307 nan 8.370 nan 0.000 0.464 375 L N 0.412 121.585 121.223 -0.083 0.000 2.093 375 L HA -0.147 4.194 4.340 0.001 0.000 0.208 375 L C 2.300 179.105 176.870 -0.107 0.000 1.085 375 L CA 0.553 55.346 54.840 -0.077 0.000 0.755 375 L CB -0.116 41.915 42.059 -0.046 0.000 0.904 375 L HN 0.062 nan 8.230 nan 0.000 0.435 376 L N 0.132 121.264 121.223 -0.151 0.000 1.990 376 L HA -0.278 4.063 4.340 0.001 0.000 0.213 376 L C 2.338 179.032 176.870 -0.294 0.000 1.072 376 L CA 1.906 56.629 54.840 -0.194 0.000 0.755 376 L CB -0.623 41.293 42.059 -0.239 0.000 0.889 376 L HN 0.163 nan 8.230 nan 0.000 0.432 377 L N -0.802 120.200 121.223 -0.368 0.000 2.079 377 L HA -0.239 4.102 4.340 0.001 0.000 0.210 377 L C 2.595 179.349 176.870 -0.194 0.000 1.081 377 L CA 1.328 55.984 54.840 -0.307 0.000 0.752 377 L CB -0.983 40.907 42.059 -0.282 0.000 0.896 377 L HN 0.456 nan 8.230 nan 0.000 0.433 378 A N -0.213 122.516 122.820 -0.151 0.000 1.898 378 A HA -0.018 4.303 4.320 0.001 0.000 0.214 378 A C 2.549 180.068 177.584 -0.109 0.000 1.183 378 A CA 1.262 53.239 52.037 -0.100 0.000 0.622 378 A CB -0.551 18.406 19.000 -0.072 0.000 0.824 378 A HN 0.363 nan 8.150 nan 0.000 0.444 379 A N -0.278 122.470 122.820 -0.119 0.000 1.940 379 A HA -0.245 4.076 4.320 0.001 0.000 0.219 379 A C 2.087 179.516 177.584 -0.258 0.000 1.176 379 A CA 1.756 53.734 52.037 -0.098 0.000 0.631 379 A CB -0.591 18.410 19.000 0.001 0.000 0.814 379 A HN 0.668 nan 8.150 nan 0.000 0.446 380 Q N -0.779 118.736 119.800 -0.475 0.000 2.230 380 Q HA -0.131 4.210 4.340 0.001 0.000 0.202 380 Q C 1.863 177.661 176.000 -0.335 0.000 0.963 380 Q CA 1.270 56.660 55.803 -0.689 0.000 0.866 380 Q CB -0.105 28.157 28.738 -0.793 0.000 0.931 380 Q HN 0.753 nan 8.270 nan 0.000 0.452 381 E N 0.093 120.190 120.200 -0.173 0.000 2.107 381 E HA -0.122 4.228 4.350 0.001 0.000 0.191 381 E C 2.023 178.551 176.600 -0.120 0.000 0.982 381 E CA 0.900 57.243 56.400 -0.096 0.000 0.809 381 E CB 0.110 29.823 29.700 0.023 0.000 0.756 381 E HN 0.117 nan 8.360 nan 0.000 0.459 382 V N 0.264 120.127 119.914 -0.085 0.000 2.719 382 V HA -0.158 3.963 4.120 0.001 0.000 0.252 382 V C 2.228 178.306 176.094 -0.028 0.000 1.065 382 V CA 1.728 63.999 62.300 -0.049 0.000 1.086 382 V CB 0.185 31.988 31.823 -0.032 0.000 0.700 382 V HN 0.154 nan 8.190 nan 0.000 0.467 383 S N -0.568 115.128 115.700 -0.007 0.000 2.355 383 S HA -0.149 4.321 4.470 0.001 0.000 0.222 383 S C 1.909 176.580 174.600 0.119 0.000 1.031 383 S CA 1.882 60.145 58.200 0.104 0.000 0.993 383 S CB -0.168 63.254 63.200 0.370 0.000 0.859 383 S HN 0.493 nan 8.310 nan 0.000 0.453 384 V N 2.004 121.917 119.914 -0.000 0.000 2.392 384 V HA -0.159 3.961 4.120 0.001 0.000 0.249 384 V C 2.488 178.618 176.094 0.060 0.000 1.059 384 V CA 2.095 64.383 62.300 -0.020 0.000 1.051 384 V CB -0.633 30.791 31.823 -0.664 0.000 0.658 384 V HN 0.481 nan 8.190 nan 0.000 0.455 385 K N 0.168 120.552 120.400 -0.028 0.000 2.097 385 K HA -0.111 4.210 4.320 0.001 0.000 0.205 385 K C 2.257 178.870 176.600 0.021 0.000 1.050 385 K CA 1.244 57.538 56.287 0.011 0.000 0.938 385 K CB -0.279 32.212 32.500 -0.016 0.000 0.718 385 K HN 0.420 nan 8.250 nan 0.000 0.442 386 A N 1.506 124.313 122.820 -0.020 0.000 1.873 386 A HA -0.227 4.094 4.320 0.001 0.000 0.218 386 A C 1.928 179.439 177.584 -0.122 0.000 1.193 386 A CA 1.670 53.655 52.037 -0.087 0.000 0.629 386 A CB -0.991 17.926 19.000 -0.139 0.000 0.826 386 A HN 0.412 nan 8.150 nan 0.000 0.447 387 H N -1.037 118.010 119.070 -0.038 0.000 2.319 387 H HA -0.145 4.411 4.556 0.001 0.000 0.299 387 H C 2.173 177.461 175.328 -0.067 0.000 1.092 387 H CA 2.022 57.988 56.048 -0.137 0.000 1.302 387 H CB -0.248 29.397 29.762 -0.195 0.000 1.373 387 H HN 0.694 nan 8.280 nan 0.000 0.497 388 E N 0.987 121.347 120.200 0.267 0.000 2.150 388 E HA -0.071 4.280 4.350 0.001 0.000 0.193 388 E C 2.297 178.964 176.600 0.111 0.000 0.985 388 E CA 1.105 57.668 56.400 0.272 0.000 0.814 388 E CB -0.116 29.795 29.700 0.353 0.000 0.752 388 E HN 0.378 nan 8.360 nan 0.000 0.466 389 A N -0.049 122.801 122.820 0.050 0.000 1.898 389 A HA -0.084 4.236 4.320 0.001 0.000 0.216 389 A C 2.437 180.003 177.584 -0.030 0.000 1.181 389 A CA 1.418 53.457 52.037 0.003 0.000 0.620 389 A CB -0.627 18.360 19.000 -0.022 0.000 0.819 389 A HN 0.199 nan 8.150 nan 0.000 0.442 390 V N 0.177 120.055 119.914 -0.061 0.000 2.358 390 V HA -0.240 3.881 4.120 0.001 0.000 0.246 390 V C 2.635 178.683 176.094 -0.076 0.000 1.047 390 V CA 2.185 64.431 62.300 -0.090 0.000 1.035 390 V CB -0.820 30.923 31.823 -0.133 0.000 0.658 390 V HN 0.656 nan 8.190 nan 0.000 0.452 391 R N -0.114 120.332 120.500 -0.091 0.000 2.083 391 R HA -0.166 4.175 4.340 0.001 0.000 0.237 391 R C 2.328 178.631 176.300 0.004 0.000 1.137 391 R CA 1.821 57.855 56.100 -0.110 0.000 0.951 391 R CB -0.339 29.848 30.300 -0.189 0.000 0.851 391 R HN 0.438 nan 8.270 nan 0.000 0.434 392 L N 0.211 121.463 121.223 0.049 0.000 2.017 392 L HA -0.140 4.201 4.340 0.001 0.000 0.208 392 L C 2.742 179.681 176.870 0.115 0.000 1.073 392 L CA 1.383 56.281 54.840 0.097 0.000 0.745 392 L CB -0.508 41.602 42.059 0.086 0.000 0.894 392 L HN 0.338 nan 8.230 nan 0.000 0.432 393 A N -0.295 122.561 122.820 0.059 0.000 1.972 393 A HA -0.264 4.057 4.320 0.001 0.000 0.219 393 A C 2.110 179.828 177.584 0.224 0.000 1.169 393 A CA 1.987 54.082 52.037 0.095 0.000 0.635 393 A CB -0.876 18.123 19.000 -0.002 0.000 0.810 393 A HN 0.562 nan 8.150 nan 0.000 0.446 394 N N -0.370 118.408 118.700 0.130 0.000 2.223 394 N HA -0.147 4.593 4.740 0.001 0.000 0.185 394 N C 1.042 176.660 175.510 0.180 0.000 1.016 394 N CA 1.350 54.486 53.050 0.143 0.000 0.863 394 N CB -0.050 38.456 38.487 0.032 0.000 0.983 394 N HN 0.651 nan 8.380 nan 0.000 0.429 395 E N -0.705 119.597 120.200 0.170 0.000 2.501 395 E HA -0.032 4.319 4.350 0.001 0.000 0.201 395 E C -0.674 176.022 176.600 0.161 0.000 1.016 395 E CA -0.432 56.057 56.400 0.149 0.000 0.920 395 E CB 0.171 29.957 29.700 0.143 0.000 1.023 395 E HN 0.296 nan 8.360 nan 0.000 0.474 396 Y N 2.512 122.846 120.300 0.057 0.000 2.632 396 Y HA -0.090 4.460 4.550 0.001 0.000 0.329 396 Y C 1.211 177.096 175.900 -0.024 0.000 1.174 396 Y CA 0.356 58.470 58.100 0.024 0.000 1.469 396 Y CB 0.570 39.052 38.460 0.037 0.000 1.242 396 Y HN -0.084 nan 8.280 nan 0.000 0.540 397 Q N 4.117 123.620 119.800 -0.495 0.000 2.376 397 Q HA 0.159 4.499 4.340 0.001 0.000 0.206 397 Q C 1.071 176.708 176.000 -0.605 0.000 0.921 397 Q CA 0.701 56.248 55.803 -0.428 0.000 0.911 397 Q CB 0.123 28.715 28.738 -0.243 0.000 1.032 397 Q HN 0.931 nan 8.270 nan 0.000 0.510 398 G N 0.507 108.579 108.800 -1.212 0.000 2.516 398 G HA2 0.400 4.360 3.960 0.001 0.000 0.276 398 G HA3 0.400 4.360 3.960 0.001 0.000 0.276 398 G C -0.592 174.100 174.900 -0.347 0.000 1.390 398 G CA 0.012 44.662 45.100 -0.750 0.000 1.050 398 G HN 0.256 nan 8.290 nan 0.000 0.519 399 A N -0.414 122.381 122.820 -0.040 0.000 2.409 399 A HA 0.508 4.829 4.320 0.001 0.000 0.267 399 A C 0.448 178.124 177.584 0.153 0.000 1.127 399 A CA -0.102 51.955 52.037 0.034 0.000 0.795 399 A CB 0.152 19.175 19.000 0.038 0.000 1.061 399 A HN 0.543 nan 8.150 nan 0.000 0.502 400 K N 1.620 122.046 120.400 0.044 0.000 2.106 400 K HA 0.629 4.950 4.320 0.001 0.000 0.246 400 K C 0.263 176.895 176.600 0.054 0.000 0.987 400 K CA -0.445 55.864 56.287 0.037 0.000 0.904 400 K CB 1.525 33.872 32.500 -0.256 0.000 1.071 400 K HN 0.769 nan 8.250 nan 0.000 0.453 401 A N 0.868 123.745 122.820 0.096 0.000 2.445 401 A HA 0.295 4.616 4.320 0.001 0.000 0.242 401 A C 1.258 178.895 177.584 0.088 0.000 1.075 401 A CA 0.500 52.583 52.037 0.075 0.000 0.777 401 A CB 0.174 19.206 19.000 0.053 0.000 1.013 401 A HN 0.886 nan 8.150 nan 0.000 0.493 402 A N 2.235 125.089 122.820 0.056 0.000 1.917 402 A HA -0.011 4.310 4.320 0.001 0.000 0.219 402 A C 1.950 179.574 177.584 0.068 0.000 1.182 402 A CA 2.174 54.241 52.037 0.050 0.000 0.633 402 A CB -1.056 17.962 19.000 0.031 0.000 0.819 402 A HN 1.615 nan 8.150 nan 0.000 0.448 403 G N -2.694 106.141 108.800 0.059 0.000 3.279 403 G HA2 0.119 4.079 3.960 0.001 0.000 0.230 403 G HA3 0.119 4.079 3.960 0.001 0.000 0.230 403 G C 0.903 175.840 174.900 0.062 0.000 1.230 403 G CA 0.468 45.594 45.100 0.044 0.000 0.891 403 G HN 0.559 nan 8.290 nan 0.000 0.518 404 Y N 1.265 121.552 120.300 -0.022 0.000 2.173 404 Y HA -0.304 4.246 4.550 0.001 0.000 0.282 404 Y C 2.060 177.947 175.900 -0.022 0.000 1.192 404 Y CA 2.333 60.419 58.100 -0.023 0.000 1.176 404 Y CB 0.197 38.656 38.460 -0.001 0.000 0.969 404 Y HN 0.281 nan 8.280 nan 0.000 0.519 405 D N -0.275 120.121 120.400 -0.006 0.000 2.103 405 D HA -0.133 4.507 4.640 0.001 0.000 0.199 405 D C 1.617 177.833 176.300 -0.139 0.000 0.978 405 D CA 1.704 55.648 54.000 -0.095 0.000 0.829 405 D CB -0.562 40.257 40.800 0.032 0.000 0.981 405 D HN 0.715 nan 8.370 nan 0.000 0.464 406 D N 0.016 120.361 120.400 -0.092 0.000 2.347 406 D HA -0.065 4.575 4.640 0.001 0.000 0.215 406 D C 2.029 178.253 176.300 -0.127 0.000 0.976 406 D CA 0.329 54.269 54.000 -0.100 0.000 0.884 406 D CB -0.476 40.281 40.800 -0.073 0.000 0.915 406 D HN 0.197 nan 8.370 nan 0.000 0.526 407 L N -0.601 120.531 121.223 -0.152 0.000 2.209 407 L HA 0.037 4.377 4.340 0.001 0.000 0.207 407 L C 2.205 178.951 176.870 -0.206 0.000 1.094 407 L CA 0.452 55.195 54.840 -0.162 0.000 0.790 407 L CB -0.218 41.751 42.059 -0.151 0.000 0.932 407 L HN 0.047 nan 8.230 nan 0.000 0.447 408 M N -0.451 118.971 119.600 -0.296 0.000 2.175 408 M HA -0.139 4.341 4.480 0.001 0.000 0.264 408 M C 2.337 178.551 176.300 -0.143 0.000 1.063 408 M CA 1.704 56.832 55.300 -0.288 0.000 1.119 408 M CB -0.691 31.644 32.600 -0.442 0.000 1.377 408 M HN 0.184 nan 8.290 nan 0.000 0.415 409 I N -0.263 120.238 120.570 -0.115 0.000 2.226 409 I HA -0.333 3.838 4.170 0.001 0.000 0.245 409 I C 2.386 178.438 176.117 -0.108 0.000 1.100 409 I CA 1.304 62.568 61.300 -0.060 0.000 1.374 409 I CB -0.421 37.504 38.000 -0.127 0.000 1.057 409 I HN 0.406 nan 8.210 nan 0.000 0.413 410 Q N 0.492 120.211 119.800 -0.136 0.000 2.119 410 Q HA -0.151 4.189 4.340 0.001 0.000 0.201 410 Q C 2.457 178.396 176.000 -0.101 0.000 0.972 410 Q CA 1.590 57.313 55.803 -0.133 0.000 0.847 410 Q CB -0.197 28.468 28.738 -0.122 0.000 0.903 410 Q HN 0.560 nan 8.270 nan 0.000 0.433 411 A N 1.457 124.217 122.820 -0.101 0.000 1.858 411 A HA -0.211 4.109 4.320 0.001 0.000 0.216 411 A C 2.009 179.549 177.584 -0.074 0.000 1.190 411 A CA 1.398 53.377 52.037 -0.097 0.000 0.617 411 A CB -0.458 18.467 19.000 -0.124 0.000 0.827 411 A HN 0.211 nan 8.150 nan 0.000 0.443 412 R N -0.777 119.706 120.500 -0.029 0.000 2.105 412 R HA -0.171 4.170 4.340 0.001 0.000 0.239 412 R C 2.209 178.588 176.300 0.131 0.000 1.135 412 R CA 1.515 57.631 56.100 0.027 0.000 0.967 412 R CB -0.273 30.081 30.300 0.089 0.000 0.861 412 R HN 0.662 nan 8.270 nan 0.000 0.442 413 E N 0.668 120.969 120.200 0.169 0.000 2.110 413 E HA -0.161 4.189 4.350 0.001 0.000 0.193 413 E C 1.769 178.351 176.600 -0.030 0.000 0.988 413 E CA 1.349 57.808 56.400 0.099 0.000 0.804 413 E CB 0.041 29.662 29.700 -0.131 0.000 0.745 413 E HN 0.084 nan 8.360 nan 0.000 0.458 414 M N -0.333 119.219 119.600 -0.082 0.000 2.288 414 M HA -0.031 4.449 4.480 0.001 0.000 0.266 414 M C 2.195 178.438 176.300 -0.095 0.000 1.072 414 M CA 0.655 55.886 55.300 -0.115 0.000 1.132 414 M CB -0.578 31.980 32.600 -0.069 0.000 1.386 414 M HN 0.096 nan 8.290 nan 0.000 0.432 415 V N 0.411 120.256 119.914 -0.116 0.000 2.295 415 V HA -0.275 3.845 4.120 0.001 0.000 0.246 415 V C 2.641 178.654 176.094 -0.135 0.000 1.049 415 V CA 1.929 64.113 62.300 -0.194 0.000 1.024 415 V CB -0.713 30.899 31.823 -0.352 0.000 0.648 415 V HN 0.465 nan 8.190 nan 0.000 0.447 416 R N 0.140 120.591 120.500 -0.082 0.000 2.073 416 R HA -0.212 4.129 4.340 0.001 0.000 0.234 416 R C 2.426 178.754 176.300 0.047 0.000 1.134 416 R CA 2.126 58.218 56.100 -0.014 0.000 0.952 416 R CB -0.281 30.049 30.300 0.051 0.000 0.850 416 R HN 0.424 nan 8.270 nan 0.000 0.433 417 K N -0.639 119.694 120.400 -0.111 0.000 2.057 417 K HA -0.073 4.248 4.320 0.001 0.000 0.206 417 K C 2.005 178.518 176.600 -0.145 0.000 1.050 417 K CA 1.430 57.433 56.287 -0.473 0.000 0.935 417 K CB -0.304 31.515 32.500 -1.136 0.000 0.715 417 K HN 0.379 nan 8.250 nan 0.000 0.439 418 G N 0.818 109.615 108.800 -0.005 0.000 2.421 418 G HA2 -0.329 3.632 3.960 0.001 0.000 0.216 418 G HA3 -0.329 3.632 3.960 0.001 0.000 0.216 418 G C 1.362 176.346 174.900 0.139 0.000 1.171 418 G CA 0.927 46.142 45.100 0.193 0.000 0.775 418 G HN 0.424 nan 8.290 nan 0.000 0.543 419 Q N -0.834 118.959 119.800 -0.011 0.000 2.167 419 Q HA -0.018 4.323 4.340 0.001 0.000 0.202 419 Q C 2.106 177.743 176.000 -0.606 0.000 0.970 419 Q CA 0.995 56.534 55.803 -0.440 0.000 0.855 419 Q CB -0.310 28.383 28.738 -0.075 0.000 0.911 419 Q HN 0.496 nan 8.270 nan 0.000 0.438 420 F N -0.426 119.404 119.950 -0.199 0.000 2.186 420 F HA -0.142 4.386 4.527 0.001 0.000 0.299 420 F C 1.190 177.008 175.800 0.030 0.000 1.090 420 F CA 0.959 58.929 58.000 -0.050 0.000 1.307 420 F CB -0.005 39.108 39.000 0.188 0.000 1.019 420 F HN 0.089 nan 8.300 nan 0.000 0.489 421 F N 0.882 120.756 119.950 -0.127 0.000 2.113 421 F HA -0.191 4.337 4.527 0.001 0.000 0.297 421 F C 2.438 178.224 175.800 -0.023 0.000 1.103 421 F CA 1.659 59.609 58.000 -0.083 0.000 1.248 421 F CB -1.412 37.658 39.000 0.117 0.000 0.999 421 F HN 0.290 nan 8.300 nan 0.000 0.475 422 W N 0.132 121.560 121.300 0.213 0.000 2.402 422 W HA -0.148 4.513 4.660 0.001 0.000 0.286 422 W C 1.452 178.033 176.519 0.104 0.000 1.221 422 W CA 1.049 58.469 57.345 0.126 0.000 1.257 422 W CB -1.033 28.484 29.460 0.095 0.000 1.120 422 W HN 0.048 nan 8.180 nan 0.000 0.551 423 D N 0.650 120.863 120.400 -0.312 0.000 2.178 423 D HA -0.234 4.407 4.640 0.001 0.000 0.202 423 D C 1.917 178.190 176.300 -0.045 0.000 0.974 423 D CA 1.178 55.042 54.000 -0.225 0.000 0.841 423 D CB -0.837 39.613 40.800 -0.584 0.000 0.953 423 D HN 0.247 nan 8.370 nan 0.000 0.478 424 Y N -0.065 120.020 120.300 -0.358 0.000 2.256 424 Y HA -0.189 4.362 4.550 0.001 0.000 0.288 424 Y C 1.939 177.785 175.900 -0.089 0.000 1.155 424 Y CA 1.277 59.172 58.100 -0.342 0.000 1.203 424 Y CB 0.174 38.284 38.460 -0.583 0.000 0.980 424 Y HN -0.104 nan 8.280 nan 0.000 0.530 425 V N -1.669 118.370 119.914 0.208 0.000 2.492 425 V HA -0.154 3.967 4.120 0.001 0.000 0.241 425 V C 2.402 178.620 176.094 0.206 0.000 1.041 425 V CA 1.384 63.805 62.300 0.202 0.000 1.057 425 V CB -0.478 31.473 31.823 0.214 0.000 0.711 425 V HN 0.407 nan 8.190 nan 0.000 0.468 426 S N 0.945 116.827 115.700 0.303 0.000 2.374 426 S HA -0.242 4.229 4.470 0.001 0.000 0.227 426 S C 2.018 176.835 174.600 0.362 0.000 1.037 426 S CA 2.048 60.468 58.200 0.366 0.000 1.024 426 S CB -0.319 63.222 63.200 0.569 0.000 0.861 426 S HN 0.606 nan 8.310 nan 0.000 0.456 427 A N 0.550 123.541 122.820 0.285 0.000 2.067 427 A HA 0.166 4.487 4.320 0.001 0.000 0.217 427 A C 1.184 178.903 177.584 0.223 0.000 1.156 427 A CA 0.384 52.575 52.037 0.257 0.000 0.683 427 A CB -0.271 18.769 19.000 0.066 0.000 0.808 427 A HN 0.575 nan 8.150 nan 0.000 0.455 428 E N 0.645 120.930 120.200 0.141 0.000 2.313 428 E HA 0.096 4.447 4.350 0.001 0.000 0.276 428 E C -0.215 176.470 176.600 0.142 0.000 1.031 428 E CA -0.319 56.153 56.400 0.121 0.000 0.857 428 E CB 0.354 30.072 29.700 0.030 0.000 1.040 428 E HN 0.368 nan 8.360 nan 0.000 0.408 429 N N 1.369 120.152 118.700 0.138 0.000 2.412 429 N HA -0.078 4.662 4.740 0.001 0.000 0.184 429 N C 1.179 176.691 175.510 0.004 0.000 1.101 429 N CA 0.412 53.528 53.050 0.110 0.000 0.881 429 N CB 0.315 38.886 38.487 0.140 0.000 0.969 429 N HN 0.362 nan 8.380 nan 0.000 0.459 430 S N -0.296 115.314 115.700 -0.150 0.000 2.593 430 S HA 0.039 4.510 4.470 0.001 0.000 0.217 430 S C 0.974 175.539 174.600 -0.057 0.000 0.966 430 S CA -0.177 57.871 58.200 -0.252 0.000 0.914 430 S CB -0.074 62.614 63.200 -0.853 0.000 0.776 430 S HN -0.006 nan 8.310 nan 0.000 0.523 431 V N 0.834 120.747 119.914 -0.002 0.000 5.117 431 V HA -0.198 3.922 4.120 0.001 0.000 0.285 431 V C 1.568 177.663 176.094 0.002 0.000 0.490 431 V CA 0.729 63.030 62.300 0.002 0.000 0.728 431 V CB -2.820 28.935 31.823 -0.113 0.000 0.597 431 V HN 1.222 nan 8.190 nan 0.000 1.265 432 G N -1.062 107.760 108.800 0.037 0.000 2.217 432 G HA2 -0.390 3.570 3.960 0.001 0.000 0.246 432 G HA3 -0.390 3.570 3.960 0.001 0.000 0.246 432 G C 0.348 175.308 174.900 0.098 0.000 0.990 432 G CA 0.508 45.645 45.100 0.061 0.000 0.627 432 G HN 1.205 nan 8.290 nan 0.000 0.522 433 F N 1.436 121.372 119.950 -0.024 0.000 2.186 433 F HA 0.105 4.633 4.527 0.001 0.000 0.299 433 F C 2.392 178.287 175.800 0.159 0.000 1.090 433 F CA 2.321 60.347 58.000 0.043 0.000 1.307 433 F CB -0.267 38.744 39.000 0.018 0.000 1.019 433 F HN 0.439 nan 8.300 nan 0.000 0.489 434 H N -1.389 117.714 119.070 0.056 0.000 2.390 434 H HA -0.145 4.412 4.556 0.001 0.000 0.298 434 H C 0.351 175.630 175.328 -0.081 0.000 1.106 434 H CA 1.088 57.142 56.048 0.010 0.000 1.297 434 H CB -0.005 29.835 29.762 0.129 0.000 1.375 434 H HN 0.050 nan 8.280 nan 0.000 0.509 435 N N -1.230 117.505 118.700 0.059 0.000 2.751 435 N HA 0.077 4.818 4.740 0.001 0.000 0.238 435 N C -2.388 173.123 175.510 0.002 0.000 1.351 435 N CA -1.351 51.695 53.050 -0.006 0.000 0.751 435 N CB 1.006 39.502 38.487 0.016 0.000 1.342 435 N HN -0.087 nan 8.380 nan 0.000 0.540 436 P HA -0.102 nan 4.420 nan 0.000 0.214 436 P C 1.150 178.462 177.300 0.020 0.000 1.163 436 P CA 1.566 64.676 63.100 0.016 0.000 0.889 436 P CB 0.380 32.095 31.700 0.026 0.000 0.790 437 A N -0.100 122.722 122.820 0.003 0.000 1.883 437 A HA -0.268 4.053 4.320 0.001 0.000 0.217 437 A C 2.308 179.899 177.584 0.011 0.000 1.186 437 A CA 1.998 54.038 52.037 0.005 0.000 0.624 437 A CB -1.312 17.681 19.000 -0.010 0.000 0.822 437 A HN 0.095 nan 8.150 nan 0.000 0.444 438 K N -0.604 119.803 120.400 0.010 0.000 2.097 438 K HA -0.069 4.252 4.320 0.001 0.000 0.205 438 K C 2.240 178.866 176.600 0.044 0.000 1.050 438 K CA 1.073 57.372 56.287 0.020 0.000 0.938 438 K CB -0.283 32.231 32.500 0.024 0.000 0.718 438 K HN 0.415 nan 8.250 nan 0.000 0.442 439 A N 1.310 124.168 122.820 0.062 0.000 1.877 439 A HA -0.131 4.189 4.320 0.001 0.000 0.216 439 A C 2.128 179.751 177.584 0.064 0.000 1.186 439 A CA 1.217 53.304 52.037 0.083 0.000 0.620 439 A CB -0.561 18.488 19.000 0.081 0.000 0.822 439 A HN 0.252 nan 8.150 nan 0.000 0.443 440 L N -0.724 120.524 121.223 0.042 0.000 2.027 440 L HA -0.159 4.181 4.340 0.001 0.000 0.206 440 L C 2.435 179.320 176.870 0.026 0.000 1.074 440 L CA 1.665 56.522 54.840 0.027 0.000 0.745 440 L CB -0.631 41.437 42.059 0.015 0.000 0.898 440 L HN 0.451 nan 8.230 nan 0.000 0.433 441 D N -0.354 120.062 120.400 0.026 0.000 2.149 441 D HA -0.185 4.456 4.640 0.001 0.000 0.198 441 D C 1.972 178.305 176.300 0.055 0.000 0.990 441 D CA 1.742 55.757 54.000 0.026 0.000 0.839 441 D CB 0.138 40.951 40.800 0.023 0.000 0.948 441 D HN 0.139 nan 8.370 nan 0.000 0.460 442 T N -0.001 114.597 114.554 0.073 0.000 2.737 442 T HA -0.073 4.278 4.350 0.001 0.000 0.265 442 T C 2.065 176.880 174.700 0.192 0.000 1.038 442 T CA 0.881 63.063 62.100 0.137 0.000 1.144 442 T CB -0.300 68.570 68.868 0.004 0.000 0.866 442 T HN 0.158 nan 8.240 nan 0.000 0.434 443 L N 0.783 122.081 121.223 0.125 0.000 2.046 443 L HA -0.088 4.253 4.340 0.001 0.000 0.208 443 L C 3.060 179.954 176.870 0.039 0.000 1.077 443 L CA 1.154 56.061 54.840 0.111 0.000 0.747 443 L CB -0.699 41.405 42.059 0.075 0.000 0.896 443 L HN 0.247 nan 8.230 nan 0.000 0.432 444 A N -0.290 122.529 122.820 -0.001 0.000 1.908 444 A HA -0.259 4.062 4.320 0.001 0.000 0.218 444 A C 2.231 179.720 177.584 -0.158 0.000 1.181 444 A CA 1.695 53.694 52.037 -0.062 0.000 0.627 444 A CB -0.461 18.509 19.000 -0.051 0.000 0.818 444 A HN 0.503 nan 8.150 nan 0.000 0.445 445 Q N -0.756 118.931 119.800 -0.188 0.000 2.079 445 Q HA -0.122 4.219 4.340 0.001 0.000 0.200 445 Q C 2.439 177.970 176.000 -0.781 0.000 0.974 445 Q CA 1.436 56.913 55.803 -0.542 0.000 0.840 445 Q CB -0.343 28.149 28.738 -0.410 0.000 0.898 445 Q HN 0.687 nan 8.270 nan 0.000 0.430 446 S N 0.974 116.541 115.700 -0.222 0.000 2.368 446 S HA -0.319 4.152 4.470 0.001 0.000 0.226 446 S C 1.980 176.539 174.600 -0.069 0.000 1.044 446 S CA 1.789 59.993 58.200 0.006 0.000 1.062 446 S CB -0.161 63.213 63.200 0.290 0.000 0.931 446 S HN 0.361 nan 8.310 nan 0.000 0.440 447 Q N 0.067 119.816 119.800 -0.085 0.000 2.077 447 Q HA -0.230 4.111 4.340 0.001 0.000 0.206 447 Q C 2.583 178.499 176.000 -0.139 0.000 0.989 447 Q CA 2.182 57.936 55.803 -0.082 0.000 0.853 447 Q CB -0.260 28.429 28.738 -0.081 0.000 0.907 447 Q HN 0.716 nan 8.270 nan 0.000 0.418 448 Q N -0.425 119.211 119.800 -0.273 0.000 2.061 448 Q HA -0.177 4.163 4.340 0.001 0.000 0.204 448 Q C 1.869 177.750 176.000 -0.198 0.000 0.984 448 Q CA 1.721 57.350 55.803 -0.290 0.000 0.846 448 Q CB -0.208 28.258 28.738 -0.454 0.000 0.902 448 Q HN 0.404 nan 8.270 nan 0.000 0.421 449 F N 0.150 120.007 119.950 -0.155 0.000 2.102 449 F HA -0.215 4.312 4.527 0.001 0.000 0.298 449 F C 2.658 178.379 175.800 -0.131 0.000 1.105 449 F CA 0.598 58.486 58.000 -0.187 0.000 1.239 449 F CB -0.217 38.605 39.000 -0.295 0.000 0.991 449 F HN -0.015 nan 8.300 nan 0.000 0.474 450 S N -0.399 115.350 115.700 0.081 0.000 2.383 450 S HA -0.276 4.195 4.470 0.001 0.000 0.229 450 S C 1.854 176.446 174.600 -0.012 0.000 1.030 450 S CA 1.426 59.640 58.200 0.023 0.000 1.002 450 S CB -0.391 62.838 63.200 0.048 0.000 0.829 450 S HN 0.285 nan 8.310 nan 0.000 0.467 451 Q N 1.592 121.379 119.800 -0.021 0.000 2.119 451 Q HA 0.038 4.379 4.340 0.001 0.000 0.201 451 Q C 1.862 177.848 176.000 -0.022 0.000 0.972 451 Q CA 1.540 57.327 55.803 -0.027 0.000 0.847 451 Q CB -0.244 28.471 28.738 -0.038 0.000 0.903 451 Q HN 0.403 nan 8.270 nan 0.000 0.433 452 K N -0.533 119.859 120.400 -0.014 0.000 2.113 452 K HA -0.167 4.153 4.320 0.001 0.000 0.208 452 K C 1.933 178.515 176.600 -0.031 0.000 1.047 452 K CA 1.225 57.505 56.287 -0.012 0.000 0.928 452 K CB -0.267 32.242 32.500 0.015 0.000 0.716 452 K HN 0.302 nan 8.250 nan 0.000 0.446 453 A N 1.233 124.030 122.820 -0.038 0.000 1.877 453 A HA -0.155 4.166 4.320 0.001 0.000 0.216 453 A C 2.077 179.618 177.584 -0.071 0.000 1.186 453 A CA 1.348 53.345 52.037 -0.068 0.000 0.620 453 A CB -0.551 18.395 19.000 -0.090 0.000 0.822 453 A HN 0.198 nan 8.150 nan 0.000 0.443 454 I N 0.078 120.615 120.570 -0.054 0.000 2.179 454 I HA -0.259 3.912 4.170 0.001 0.000 0.242 454 I C 1.920 178.012 176.117 -0.042 0.000 1.088 454 I CA 1.542 62.816 61.300 -0.044 0.000 1.357 454 I CB -0.586 37.400 38.000 -0.024 0.000 1.051 454 I HN 0.230 nan 8.210 nan 0.000 0.409 455 D N 1.088 121.471 120.400 -0.028 0.000 2.092 455 D HA -0.156 4.485 4.640 0.001 0.000 0.193 455 D C 2.335 178.597 176.300 -0.064 0.000 0.994 455 D CA 1.388 55.380 54.000 -0.014 0.000 0.828 455 D CB -0.455 40.346 40.800 0.001 0.000 0.963 455 D HN 0.279 nan 8.370 nan 0.000 0.450 456 L N 0.561 121.737 121.223 -0.077 0.000 2.083 456 L HA -0.135 4.206 4.340 0.001 0.000 0.209 456 L C 2.448 179.229 176.870 -0.148 0.000 1.083 456 L CA 1.195 55.970 54.840 -0.108 0.000 0.752 456 L CB -0.355 41.645 42.059 -0.099 0.000 0.899 456 L HN -0.018 nan 8.230 nan 0.000 0.433 457 A N -0.737 122.001 122.820 -0.138 0.000 2.014 457 A HA -0.132 4.188 4.320 0.001 0.000 0.218 457 A C 2.333 179.798 177.584 -0.199 0.000 1.163 457 A CA 1.131 53.077 52.037 -0.152 0.000 0.652 457 A CB -0.277 18.652 19.000 -0.117 0.000 0.808 457 A HN 0.282 nan 8.150 nan 0.000 0.449 458 M N -1.032 118.438 119.600 -0.217 0.000 2.123 458 M HA -0.125 4.356 4.480 0.001 0.000 0.263 458 M C 2.196 178.051 176.300 -0.743 0.000 1.069 458 M CA 1.828 56.915 55.300 -0.355 0.000 1.133 458 M CB -0.799 31.711 32.600 -0.151 0.000 1.356 458 M HN 0.681 nan 8.290 nan 0.000 0.415 459 E N 0.826 120.653 120.200 -0.621 0.000 2.070 459 E HA -0.219 4.132 4.350 0.001 0.000 0.197 459 E C 1.919 178.314 176.600 -0.342 0.000 1.004 459 E CA 1.714 57.782 56.400 -0.553 0.000 0.805 459 E CB -0.026 29.536 29.700 -0.230 0.000 0.744 459 E HN 0.444 nan 8.360 nan 0.000 0.451 460 A N 0.173 122.862 122.820 -0.219 0.000 1.986 460 A HA -0.184 4.137 4.320 0.001 0.000 0.220 460 A C 2.255 179.854 177.584 0.026 0.000 1.171 460 A CA 2.187 54.191 52.037 -0.055 0.000 0.640 460 A CB -0.790 18.149 19.000 -0.101 0.000 0.811 460 A HN 0.501 nan 8.150 nan 0.000 0.451 461 T N -4.075 110.355 114.554 -0.206 0.000 3.134 461 T HA 0.308 4.659 4.350 0.001 0.000 0.260 461 T C 0.465 174.992 174.700 -0.288 0.000 1.027 461 T CA 0.457 62.335 62.100 -0.371 0.000 0.913 461 T CB -0.135 68.189 68.868 -0.907 0.000 1.046 461 T HN 0.572 nan 8.240 nan 0.000 0.553 462 Q N 0.020 119.689 119.800 -0.219 0.000 2.422 462 Q HA -0.296 4.044 4.340 0.001 0.000 0.245 462 Q C -0.629 175.414 176.000 0.071 0.000 0.922 462 Q CA 1.105 56.866 55.803 -0.071 0.000 1.192 462 Q CB -2.269 26.516 28.738 0.079 0.000 1.641 462 Q HN 0.856 nan 8.270 nan 0.000 0.552 463 Y N -4.439 115.806 120.300 -0.093 0.000 4.782 463 Y HA -0.213 4.338 4.550 0.001 0.000 0.249 463 Y C 1.416 177.269 175.900 -0.078 0.000 1.043 463 Y CA 0.613 58.663 58.100 -0.084 0.000 2.093 463 Y CB -1.899 36.539 38.460 -0.037 0.000 1.576 463 Y HN 0.337 nan 8.280 nan 0.000 0.686 464 G N 0.759 109.523 108.800 -0.061 0.000 2.534 464 G HA2 -0.031 3.929 3.960 0.001 0.000 0.217 464 G HA3 -0.031 3.929 3.960 0.001 0.000 0.217 464 G C 1.338 176.222 174.900 -0.026 0.000 1.128 464 G CA 0.964 46.065 45.100 0.003 0.000 0.784 464 G HN 0.735 nan 8.290 nan 0.000 0.542 465 I N -2.014 118.454 120.570 -0.170 0.000 3.793 465 I HA 0.388 4.559 4.170 0.001 0.000 0.315 465 I C 2.177 178.300 176.117 0.011 0.000 1.275 465 I CA 0.369 61.633 61.300 -0.062 0.000 1.214 465 I CB 0.104 38.035 38.000 -0.114 0.000 1.018 465 I HN -0.066 nan 8.210 nan 0.000 0.439 466 G N 3.204 112.025 108.800 0.036 0.000 2.446 466 G HA2 -0.327 3.634 3.960 0.001 0.000 0.217 466 G HA3 -0.327 3.634 3.960 0.001 0.000 0.217 466 G C 1.638 176.568 174.900 0.049 0.000 1.168 466 G CA 1.271 46.406 45.100 0.057 0.000 0.771 466 G HN 0.685 nan 8.290 nan 0.000 0.551 467 K N 0.112 120.545 120.400 0.055 0.000 2.293 467 K HA -0.115 4.206 4.320 0.001 0.000 0.204 467 K C 1.348 177.977 176.600 0.049 0.000 1.045 467 K CA 1.901 58.218 56.287 0.051 0.000 0.933 467 K CB -0.094 32.442 32.500 0.059 0.000 0.736 467 K HN 0.200 nan 8.250 nan 0.000 0.463 468 D N 0.217 120.651 120.400 0.056 0.000 2.367 468 D HA 0.078 4.719 4.640 0.001 0.000 0.207 468 D C 1.136 177.468 176.300 0.053 0.000 1.034 468 D CA 0.512 54.548 54.000 0.060 0.000 0.861 468 D CB 0.372 41.219 40.800 0.078 0.000 0.943 468 D HN 0.252 nan 8.370 nan 0.000 0.515 469 L N 0.194 121.444 121.223 0.044 0.000 2.769 469 L HA 0.160 4.501 4.340 0.001 0.000 0.240 469 L C 1.909 178.796 176.870 0.028 0.000 1.163 469 L CA 0.002 54.865 54.840 0.038 0.000 0.962 469 L CB 0.542 42.621 42.059 0.034 0.000 1.258 469 L HN -0.198 nan 8.230 nan 0.000 0.513 470 S N -0.001 115.715 115.700 0.027 0.000 2.395 470 S HA 0.039 4.509 4.470 0.001 0.000 0.225 470 S C 1.487 176.096 174.600 0.014 0.000 1.027 470 S CA 0.874 59.086 58.200 0.019 0.000 0.965 470 S CB 0.003 63.214 63.200 0.019 0.000 0.812 470 S HN 0.567 nan 8.310 nan 0.000 0.482 471 G N 1.105 109.913 108.800 0.014 0.000 2.441 471 G HA2 0.138 4.099 3.960 0.001 0.000 0.258 471 G HA3 0.138 4.099 3.960 0.001 0.000 0.258 471 G C -0.395 174.510 174.900 0.009 0.000 1.487 471 G CA -0.293 44.813 45.100 0.009 0.000 1.058 471 G HN 0.331 nan 8.290 nan 0.000 0.552 472 D N -1.061 119.343 120.400 0.007 0.000 2.302 472 D HA 0.149 4.790 4.640 0.001 0.000 0.248 472 D C 1.806 178.119 176.300 0.022 0.000 1.094 472 D CA -0.441 53.566 54.000 0.011 0.000 0.897 472 D CB 0.798 41.601 40.800 0.005 0.000 1.200 472 D HN 0.173 nan 8.370 nan 0.000 0.429 473 I N 2.357 122.950 120.570 0.038 0.000 2.361 473 I HA -0.205 3.966 4.170 0.001 0.000 0.251 473 I C 1.999 178.181 176.117 0.109 0.000 1.133 473 I CA 0.769 62.102 61.300 0.055 0.000 1.413 473 I CB -0.290 37.737 38.000 0.045 0.000 1.073 473 I HN 0.353 nan 8.210 nan 0.000 0.424 474 K N 0.444 120.911 120.400 0.112 0.000 2.362 474 K HA -0.059 4.262 4.320 0.001 0.000 0.200 474 K C 1.933 178.538 176.600 0.008 0.000 1.046 474 K CA 1.218 57.547 56.287 0.069 0.000 0.952 474 K CB -0.108 32.376 32.500 -0.026 0.000 0.753 474 K HN 0.373 nan 8.250 nan 0.000 0.466 475 T N 1.448 116.005 114.554 0.004 0.000 2.866 475 T HA 0.024 4.375 4.350 0.001 0.000 0.250 475 T C 1.935 176.617 174.700 -0.029 0.000 1.033 475 T CA 0.720 62.808 62.100 -0.019 0.000 1.145 475 T CB -0.006 68.854 68.868 -0.013 0.000 0.866 475 T HN 0.230 nan 8.240 nan 0.000 0.434 476 I N 0.117 120.680 120.570 -0.011 0.000 2.439 476 I HA 0.102 4.272 4.170 0.001 0.000 0.251 476 I C 0.316 176.404 176.117 -0.048 0.000 1.139 476 I CA 0.814 62.106 61.300 -0.014 0.000 1.438 476 I CB -0.347 37.664 38.000 0.018 0.000 1.085 476 I HN -0.079 nan 8.210 nan 0.000 0.427 477 V N 3.456 123.336 119.914 -0.057 0.000 2.327 477 V HA 0.392 4.512 4.120 0.001 0.000 0.272 477 V C -2.503 173.578 176.094 -0.021 0.000 1.019 477 V CA -1.431 60.775 62.300 -0.158 0.000 0.814 477 V CB 0.740 32.382 31.823 -0.301 0.000 1.040 477 V HN 0.034 nan 8.190 nan 0.000 0.440 478 P HA 0.235 nan 4.420 nan 0.000 0.269 478 P C -2.637 174.740 177.300 0.129 0.000 1.209 478 P CA -1.324 61.779 63.100 0.004 0.000 0.776 478 P CB -0.005 31.642 31.700 -0.089 0.000 0.876 479 P HA 0.092 nan 4.420 nan 0.000 0.265 479 P C -0.318 176.978 177.300 -0.007 0.000 1.193 479 P CA 0.510 63.537 63.100 -0.122 0.000 0.765 479 P CB 0.151 31.625 31.700 -0.376 0.000 0.823 480 I N 3.922 124.484 120.570 -0.013 0.000 2.281 480 I HA 0.028 4.199 4.170 0.001 0.000 0.293 480 I C 1.486 177.675 176.117 0.121 0.000 1.085 480 I CA -0.176 61.139 61.300 0.024 0.000 1.257 480 I CB 0.707 38.695 38.000 -0.020 0.000 1.430 480 I HN 0.344 nan 8.210 nan 0.000 0.489 481 L N 6.935 128.243 121.223 0.142 0.000 2.095 481 L HA 0.128 4.469 4.340 0.001 0.000 0.204 481 L C 0.548 177.538 176.870 0.201 0.000 1.080 481 L CA 1.723 56.651 54.840 0.147 0.000 0.759 481 L CB -0.197 41.932 42.059 0.117 0.000 0.914 481 L HN 0.367 nan 8.230 nan 0.000 0.439 482 K N 0.148 120.712 120.400 0.273 0.000 2.323 482 K HA 0.571 4.892 4.320 0.001 0.000 0.259 482 K C -1.019 175.828 176.600 0.412 0.000 0.947 482 K CA -0.288 56.166 56.287 0.280 0.000 0.819 482 K CB 1.574 34.200 32.500 0.211 0.000 1.109 482 K HN -0.080 nan 8.250 nan 0.000 0.429 483 M N 3.295 123.072 119.600 0.295 0.000 2.296 483 M HA 0.199 4.680 4.480 0.001 0.000 0.268 483 M C -1.936 174.525 176.300 0.269 0.000 1.048 483 M CA -0.726 54.761 55.300 0.312 0.000 0.966 483 M CB 1.666 34.465 32.600 0.331 0.000 1.912 483 M HN 0.830 nan 8.290 nan 0.000 0.484 484 N N 1.094 119.916 118.700 0.204 0.000 2.732 484 N HA 0.571 5.312 4.740 0.001 0.000 0.259 484 N C 0.038 175.539 175.510 -0.016 0.000 1.402 484 N CA -0.896 52.257 53.050 0.171 0.000 0.829 484 N CB 1.279 39.801 38.487 0.058 0.000 1.495 484 N HN 0.476 nan 8.380 nan 0.000 0.511 485 R N -0.587 119.704 120.500 -0.348 0.000 2.105 485 R HA -0.137 4.203 4.340 0.001 0.000 0.239 485 R C 1.189 177.181 176.300 -0.513 0.000 1.135 485 R CA 1.466 57.233 56.100 -0.556 0.000 0.967 485 R CB -0.230 29.695 30.300 -0.623 0.000 0.861 485 R HN 0.559 nan 8.270 nan 0.000 0.442 486 K N 1.074 121.180 120.400 -0.490 0.000 2.167 486 K HA -0.001 4.320 4.320 0.001 0.000 0.203 486 K C 1.830 178.277 176.600 -0.255 0.000 1.052 486 K CA 0.840 56.860 56.287 -0.445 0.000 0.956 486 K CB -0.017 32.324 32.500 -0.265 0.000 0.735 486 K HN 0.084 nan 8.250 nan 0.000 0.451 487 L N 0.331 121.418 121.223 -0.226 0.000 2.093 487 L HA -0.102 4.239 4.340 0.001 0.000 0.208 487 L C 2.428 179.277 176.870 -0.034 0.000 1.085 487 L CA 1.182 55.847 54.840 -0.292 0.000 0.755 487 L CB -0.259 41.442 42.059 -0.597 0.000 0.904 487 L HN 0.368 nan 8.230 nan 0.000 0.435 488 Q N -0.312 119.482 119.800 -0.009 0.000 2.541 488 Q HA -0.177 4.164 4.340 0.001 0.000 0.215 488 Q C 1.856 177.839 176.000 -0.028 0.000 0.977 488 Q CA 0.671 56.484 55.803 0.018 0.000 0.934 488 Q CB 0.229 28.991 28.738 0.039 0.000 0.988 488 Q HN 0.581 nan 8.270 nan 0.000 0.521 489 Q N -0.201 119.552 119.800 -0.078 0.000 2.302 489 Q HA -0.042 4.299 4.340 0.001 0.000 0.202 489 Q C 0.009 175.998 176.000 -0.018 0.000 0.936 489 Q CA 0.215 55.973 55.803 -0.074 0.000 0.886 489 Q CB 0.339 28.996 28.738 -0.135 0.000 0.986 489 Q HN 0.166 nan 8.270 nan 0.000 0.487 490 D N 1.030 121.440 120.400 0.017 0.000 2.325 490 D HA 0.047 4.688 4.640 0.001 0.000 0.251 490 D C -1.958 174.401 176.300 0.100 0.000 1.196 490 D CA -2.208 51.830 54.000 0.063 0.000 0.866 490 D CB 1.417 42.269 40.800 0.086 0.000 1.101 490 D HN -0.117 nan 8.370 nan 0.000 0.476 491 P HA -0.060 nan 4.420 nan 0.000 0.223 491 P C 0.800 178.147 177.300 0.079 0.000 1.151 491 P CA 0.676 63.811 63.100 0.060 0.000 0.787 491 P CB 0.469 32.193 31.700 0.041 0.000 0.788 492 E N -1.333 118.930 120.200 0.106 0.000 2.086 492 E HA -0.059 4.292 4.350 0.001 0.000 0.190 492 E C 1.731 178.433 176.600 0.170 0.000 0.975 492 E CA 0.640 57.110 56.400 0.117 0.000 0.813 492 E CB -0.971 28.793 29.700 0.107 0.000 0.768 492 E HN 0.258 nan 8.360 nan 0.000 0.457 493 F N 1.577 121.570 119.950 0.072 0.000 2.161 493 F HA -0.140 4.388 4.527 0.002 0.000 0.300 493 F C 1.856 177.759 175.800 0.172 0.000 1.089 493 F CA 1.064 59.131 58.000 0.112 0.000 1.282 493 F CB -0.008 39.026 39.000 0.056 0.000 1.010 493 F HN -0.093 nan 8.300 nan 0.000 0.485 494 M N 0.211 119.801 119.600 -0.016 0.000 2.722 494 M HA -0.046 4.435 4.480 0.001 0.000 0.238 494 M C 1.135 177.507 176.300 0.120 0.000 1.098 494 M CA 1.036 56.285 55.300 -0.087 0.000 1.062 494 M CB -1.043 31.527 32.600 -0.048 0.000 1.573 494 M HN 0.195 nan 8.290 nan 0.000 0.531 495 K N -0.791 119.672 120.400 0.105 0.000 2.358 495 K HA 0.086 4.407 4.320 0.001 0.000 0.200 495 K C 1.547 178.188 176.600 0.068 0.000 1.030 495 K CA 0.380 56.723 56.287 0.093 0.000 1.097 495 K CB 0.439 32.975 32.500 0.060 0.000 0.862 495 K HN 0.322 nan 8.250 nan 0.000 0.534 496 T N -1.678 112.917 114.554 0.069 0.000 3.129 496 T HA 0.018 4.369 4.350 0.001 0.000 0.251 496 T C 0.389 174.998 174.700 -0.152 0.000 1.117 496 T CA 0.257 62.347 62.100 -0.018 0.000 1.034 496 T CB -0.037 68.843 68.868 0.020 0.000 0.968 496 T HN 0.031 nan 8.240 nan 0.000 0.526 497 H N 0.009 118.828 119.070 -0.417 0.000 2.894 497 H HA 0.465 5.022 4.556 0.001 0.000 0.367 497 H C 0.227 175.376 175.328 -0.299 0.000 1.144 497 H CA -0.711 54.969 56.048 -0.615 0.000 1.180 497 H CB 2.520 31.428 29.762 -1.423 0.000 1.758 497 H HN -0.113 nan 8.280 nan 0.000 0.541 498 K N 2.652 122.980 120.400 -0.119 0.000 2.211 498 K HA -0.057 4.264 4.320 0.001 0.000 0.203 498 K C 1.212 178.102 176.600 0.485 0.000 1.050 498 K CA 1.127 57.510 56.287 0.159 0.000 0.945 498 K CB -0.070 32.513 32.500 0.138 0.000 0.732 498 K HN 0.445 nan 8.250 nan 0.000 0.451 499 W N -0.414 121.112 121.300 0.376 0.000 2.678 499 W HA 0.049 4.710 4.660 0.001 0.000 0.256 499 W C 1.096 177.868 176.519 0.422 0.000 1.280 499 W CA 0.077 57.679 57.345 0.429 0.000 1.345 499 W CB -0.440 29.203 29.460 0.305 0.000 1.118 499 W HN -0.024 nan 8.180 nan 0.000 0.629 500 F N 1.038 121.184 119.950 0.327 0.000 2.451 500 F HA -0.146 4.381 4.527 0.001 0.000 0.299 500 F C 2.384 178.200 175.800 0.027 0.000 1.101 500 F CA 1.025 59.100 58.000 0.126 0.000 1.436 500 F CB -1.412 37.600 39.000 0.021 0.000 1.074 500 F HN 0.205 nan 8.300 nan 0.000 0.553 501 Q N -1.175 118.680 119.800 0.091 0.000 2.451 501 Q HA -0.135 4.206 4.340 0.001 0.000 0.206 501 Q C 0.800 176.601 176.000 -0.332 0.000 0.947 501 Q CA 1.100 56.802 55.803 -0.169 0.000 0.937 501 Q CB -0.559 28.011 28.738 -0.279 0.000 1.025 501 Q HN 0.433 nan 8.270 nan 0.000 0.511 502 Y N 0.558 120.936 120.300 0.131 0.000 2.462 502 Y HA 0.317 4.868 4.550 0.001 0.000 0.261 502 Y C 0.449 176.389 175.900 0.068 0.000 1.146 502 Y CA -0.443 57.699 58.100 0.070 0.000 1.283 502 Y CB 0.691 39.161 38.460 0.016 0.000 1.090 502 Y HN 0.000 nan 8.280 nan 0.000 0.526 503 L N 2.529 123.859 121.223 0.178 0.000 2.334 503 L HA 0.433 4.774 4.340 0.001 0.000 0.275 503 L C -2.226 174.688 176.870 0.073 0.000 1.036 503 L CA -2.332 52.581 54.840 0.121 0.000 0.807 503 L CB 0.917 43.038 42.059 0.103 0.000 1.231 503 L HN -0.162 nan 8.230 nan 0.000 0.438 504 P HA 0.102 nan 4.420 nan 0.000 0.275 504 P C -0.671 176.646 177.300 0.028 0.000 1.228 504 P CA -0.333 62.793 63.100 0.044 0.000 0.786 504 P CB 1.145 32.874 31.700 0.047 0.000 0.927 505 V N 3.946 123.871 119.914 0.018 0.000 2.439 505 V HA 0.057 4.178 4.120 0.001 0.000 0.271 505 V C 1.008 177.105 176.094 0.004 0.000 1.040 505 V CA -0.272 62.034 62.300 0.009 0.000 1.002 505 V CB -0.110 31.721 31.823 0.012 0.000 1.000 505 V HN 0.370 nan 8.190 nan 0.000 0.477 506 L N 7.900 129.117 121.223 -0.009 0.000 2.439 506 L HA 0.296 4.636 4.340 0.001 0.000 0.269 506 L C -1.748 175.103 176.870 -0.032 0.000 1.179 506 L CA -1.596 53.230 54.840 -0.024 0.000 0.828 506 L CB 0.559 42.582 42.059 -0.060 0.000 1.106 506 L HN 0.427 nan 8.230 nan 0.000 0.467 507 P HA -0.016 nan 4.420 nan 0.000 0.265 507 P C -0.736 176.545 177.300 -0.032 0.000 1.193 507 P CA -0.263 62.827 63.100 -0.017 0.000 0.765 507 P CB 0.475 32.172 31.700 -0.004 0.000 0.823 508 K N 2.052 122.438 120.400 -0.023 0.000 2.466 508 K HA 0.299 4.620 4.320 0.001 0.000 0.278 508 K C -0.203 176.390 176.600 -0.010 0.000 1.048 508 K CA 0.573 56.846 56.287 -0.024 0.000 1.088 508 K CB -0.410 32.084 32.500 -0.010 0.000 0.884 508 K HN 0.595 nan 8.250 nan 0.000 0.478 509 A N 4.166 126.981 122.820 -0.007 0.000 2.549 509 A HA 0.401 4.722 4.320 0.001 0.000 0.297 509 A C -1.528 176.130 177.584 0.124 0.000 1.061 509 A CA -1.030 51.037 52.037 0.050 0.000 0.690 509 A CB 1.143 20.186 19.000 0.071 0.000 1.287 509 A HN 0.645 nan 8.150 nan 0.000 0.402 510 D N 1.111 121.579 120.400 0.114 0.000 2.225 510 D HA 0.303 4.944 4.640 0.001 0.000 0.249 510 D C 0.036 176.403 176.300 0.111 0.000 1.052 510 D CA 0.067 54.134 54.000 0.112 0.000 0.909 510 D CB 1.231 42.047 40.800 0.027 0.000 1.186 510 D HN 0.591 nan 8.370 nan 0.000 0.431 511 Q N 1.210 121.026 119.800 0.026 0.000 2.274 511 Q HA 0.061 4.402 4.340 0.001 0.000 0.280 511 Q C 0.367 176.234 176.000 -0.222 0.000 1.047 511 Q CA -0.092 55.531 55.803 -0.300 0.000 0.907 511 Q CB 0.806 29.327 28.738 -0.362 0.000 1.171 511 Q HN 0.267 nan 8.270 nan 0.000 0.381 512 V N 4.506 124.270 119.914 -0.250 0.000 2.825 512 V HA 0.016 4.136 4.120 0.001 0.000 0.246 512 V C -0.138 175.665 176.094 -0.484 0.000 1.068 512 V CA 0.594 62.697 62.300 -0.329 0.000 1.088 512 V CB 0.056 31.698 31.823 -0.301 0.000 0.733 512 V HN 0.668 nan 8.190 nan 0.000 0.468 513 W N -0.284 120.892 121.300 -0.206 0.000 2.666 513 W HA 0.565 5.227 4.660 0.002 0.000 0.334 513 W C -0.749 175.642 176.519 -0.213 0.000 1.051 513 W CA -0.446 56.792 57.345 -0.178 0.000 1.224 513 W CB 1.371 30.731 29.460 -0.168 0.000 1.405 513 W HN -0.113 nan 8.180 nan 0.000 0.513 514 D N 1.907 122.384 120.400 0.128 0.000 2.363 514 D HA 0.399 5.040 4.640 0.001 0.000 0.258 514 D C 0.743 177.031 176.300 -0.019 0.000 1.259 514 D CA 0.636 54.631 54.000 -0.009 0.000 0.921 514 D CB 0.145 40.942 40.800 -0.004 0.000 1.201 514 D HN 0.567 nan 8.370 nan 0.000 0.524 515 G N 3.075 111.744 108.800 -0.218 0.000 2.620 515 G HA2 -0.413 3.548 3.960 0.001 0.000 0.315 515 G HA3 -0.413 3.548 3.960 0.001 0.000 0.315 515 G C 0.872 175.814 174.900 0.070 0.000 1.179 515 G CA 0.636 45.623 45.100 -0.188 0.000 0.971 515 G HN 0.515 nan 8.290 nan 0.000 0.544 516 Q N 0.789 120.689 119.800 0.167 0.000 2.384 516 Q HA 0.168 4.508 4.340 0.001 0.000 0.207 516 Q C 0.390 176.618 176.000 0.381 0.000 0.904 516 Q CA 0.519 56.475 55.803 0.256 0.000 0.933 516 Q CB 0.277 29.144 28.738 0.216 0.000 1.077 516 Q HN 0.589 nan 8.270 nan 0.000 0.522 517 K N 1.023 121.587 120.400 0.274 0.000 2.172 517 K HA 0.330 4.651 4.320 0.001 0.000 0.276 517 K C -0.456 176.156 176.600 0.021 0.000 1.013 517 K CA -0.403 55.973 56.287 0.149 0.000 0.913 517 K CB 1.336 33.879 32.500 0.072 0.000 1.055 517 K HN -0.082 nan 8.250 nan 0.000 0.461 518 R N 2.303 122.679 120.500 -0.206 0.000 2.410 518 R HA 0.343 4.684 4.340 0.001 0.000 0.288 518 R C -0.088 176.054 176.300 -0.262 0.000 1.051 518 R CA -0.496 55.318 56.100 -0.476 0.000 1.021 518 R CB 0.409 30.367 30.300 -0.570 0.000 1.032 518 R HN 0.413 nan 8.270 nan 0.000 0.481 519 L N 0.000 121.061 121.223 -0.270 0.000 2.949 519 L HA 0.000 4.341 4.340 0.001 0.000 0.249 519 L CA 0.000 54.742 54.840 -0.163 0.000 0.813 519 L CB 0.000 41.976 42.059 -0.138 0.000 0.961 519 L HN 0.000 nan 8.230 nan 0.000 0.502