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 2xex_1_A DATA FIRST_RESID 2 DATA SEQUENCE AREFSLEKTR NIGIMAHIDA GKTTTTERIL YYTGRIHXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXTSAATTAA WEGHRVNIID TPGHVDFTVE VERSLRVLDG DATA SEQUENCE AVTVLDAQSG VEPQTETVWR QATTYGVPRI VFVNKMDKLG ANFEYSVSTL DATA SEQUENCE HDRLQANAAP IQLPIGAEDE FEAIIDLVEM KCFKYTNDLG TEIEEIEIPE DATA SEQUENCE DHLDRAEEAR ASLIEAVAET SDELMEKYLG DEEISVSELK EAIRQATTNV DATA SEQUENCE EFYPVLCGTA FKNKGVQLML DAVIDYLPSP LDVKPIIGHR ASNPEEEVIA DATA SEQUENCE KADDSAEFAA LAFKVMTDPY VGKLTFFRVY SGTMTSGSYV KNSTKGKRER DATA SEQUENCE VGRLLQMHAN SRQEIDTVYS GDIAAAVGLK DTGTGDTLCG EKNDIILESM DATA SEQUENCE EFPEPVIHLS VEPKSKADQD KMTQALVKLQ EEDPTFHAHT XXXTGQVIIG DATA SEQUENCE GMGELHLDIL VDRMKKEFNV ECNVGAPMVS YRETFKSSAQ VQGKFSRQSG DATA SEQUENCE GRGQYGDVHI EFTPNETGAG FEFENAIVGG VVPREYIPSV EAGLKDAMEN DATA SEQUENCE GVLAGYPLID VKAKLYDGSY HDVDSSEMAF KIAASLALKE AAKKCDPVIL DATA SEQUENCE EPMMKVTIEM PEEYMGDIMG DVTSRRGRVD GMEPRGNAQV VNAYVPLSEM DATA SEQUENCE FGYATSLRSN TQGRGTYTMY FDHYAEVPKS IAEDIIKKNK GE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.492 177.584 -0.153 0.000 1.274 2 A CA 0.000 52.016 52.037 -0.036 0.000 0.836 2 A CB 0.000 18.959 19.000 -0.068 0.000 0.831 3 R N 1.403 121.621 120.500 -0.471 0.000 2.491 3 R HA 0.286 4.626 4.340 0.001 0.000 0.283 3 R C 0.390 176.514 176.300 -0.293 0.000 1.072 3 R CA 0.283 56.017 56.100 -0.611 0.000 1.048 3 R CB 0.897 30.565 30.300 -1.054 0.000 0.983 3 R HN 0.873 nan 8.270 nan 0.000 0.450 4 E N 2.014 122.095 120.200 -0.199 0.000 2.051 4 E HA -0.083 4.268 4.350 0.001 0.000 0.192 4 E C -0.480 175.765 176.600 -0.592 0.000 0.991 4 E CA 0.967 57.152 56.400 -0.358 0.000 0.799 4 E CB 0.127 29.654 29.700 -0.287 0.000 0.748 4 E HN 0.525 nan 8.360 nan 0.000 0.449 5 F N 0.489 120.386 119.950 -0.089 0.000 2.482 5 F HA 0.202 4.730 4.527 0.001 0.000 0.331 5 F C 0.437 176.169 175.800 -0.114 0.000 1.115 5 F CA -1.084 56.862 58.000 -0.091 0.000 0.955 5 F CB 1.674 40.642 39.000 -0.053 0.000 1.136 5 F HN -0.136 nan 8.300 nan 0.000 0.452 6 S N 2.883 118.605 115.700 0.036 0.000 2.580 6 S HA 0.126 4.596 4.470 0.001 0.000 0.266 6 S C 1.291 175.908 174.600 0.028 0.000 1.354 6 S CA -0.661 57.534 58.200 -0.009 0.000 1.008 6 S CB 0.549 63.730 63.200 -0.033 0.000 0.898 6 S HN 0.748 nan 8.310 nan 0.000 0.555 7 L N 0.636 121.869 121.223 0.018 0.000 2.021 7 L HA -0.194 4.146 4.340 0.001 0.000 0.215 7 L C 2.816 179.711 176.870 0.041 0.000 1.074 7 L CA 2.052 56.915 54.840 0.039 0.000 0.760 7 L CB -0.747 41.337 42.059 0.042 0.000 0.889 7 L HN 0.743 nan 8.230 nan 0.000 0.433 8 E N -0.054 120.163 120.200 0.029 0.000 2.153 8 E HA -0.162 4.188 4.350 0.001 0.000 0.194 8 E C 1.076 177.704 176.600 0.045 0.000 0.988 8 E CA 1.033 57.456 56.400 0.038 0.000 0.811 8 E CB 0.052 29.765 29.700 0.023 0.000 0.746 8 E HN 0.306 nan 8.360 nan 0.000 0.466 9 K N 0.535 120.927 120.400 -0.012 0.000 2.811 9 K HA 0.192 4.512 4.320 0.001 0.000 0.217 9 K C -0.552 176.066 176.600 0.030 0.000 1.115 9 K CA 0.064 56.278 56.287 -0.121 0.000 1.179 9 K CB 0.951 33.242 32.500 -0.348 0.000 0.994 9 K HN -0.069 nan 8.250 nan 0.000 0.464 10 T N 1.328 115.929 114.554 0.077 0.000 2.841 10 T HA 0.384 4.734 4.350 0.001 0.000 0.283 10 T C -0.474 174.259 174.700 0.054 0.000 1.000 10 T CA -0.830 61.295 62.100 0.040 0.000 0.977 10 T CB 1.535 70.424 68.868 0.035 0.000 0.979 10 T HN 0.027 nan 8.240 nan 0.000 0.446 11 R N 3.153 123.664 120.500 0.018 0.000 2.422 11 R HA 0.327 4.668 4.340 0.001 0.000 0.307 11 R C -0.927 175.356 176.300 -0.028 0.000 1.004 11 R CA -0.555 55.548 56.100 0.005 0.000 0.882 11 R CB 0.891 31.192 30.300 0.002 0.000 1.164 11 R HN 0.645 nan 8.270 nan 0.000 0.489 12 N N 3.764 122.446 118.700 -0.030 0.000 2.420 12 N HA 0.336 5.076 4.740 0.001 0.000 0.249 12 N C 0.050 175.526 175.510 -0.056 0.000 1.033 12 N CA -0.282 52.736 53.050 -0.054 0.000 0.944 12 N CB 0.983 39.431 38.487 -0.065 0.000 1.113 12 N HN 0.507 nan 8.380 nan 0.000 0.502 13 I N -1.576 118.954 120.570 -0.066 0.000 2.785 13 I HA 0.868 5.039 4.170 0.001 0.000 0.302 13 I C 0.031 176.103 176.117 -0.075 0.000 1.069 13 I CA -1.079 60.183 61.300 -0.063 0.000 1.045 13 I CB 2.135 40.100 38.000 -0.058 0.000 1.236 13 I HN 0.331 nan 8.210 nan 0.000 0.429 14 G N 4.104 112.863 108.800 -0.069 0.000 2.537 14 G HA2 0.746 4.706 3.960 0.001 0.000 0.308 14 G HA3 0.746 4.706 3.960 0.001 0.000 0.308 14 G C -1.151 173.721 174.900 -0.048 0.000 1.237 14 G CA -0.929 44.129 45.100 -0.069 0.000 0.968 14 G HN 0.639 nan 8.290 nan 0.000 0.481 15 I N 0.768 121.315 120.570 -0.039 0.000 2.378 15 I HA 0.357 4.527 4.170 0.001 0.000 0.291 15 I C -0.214 175.902 176.117 -0.001 0.000 0.992 15 I CA -0.316 60.975 61.300 -0.014 0.000 1.154 15 I CB 1.906 39.898 38.000 -0.013 0.000 1.315 15 I HN 0.117 nan 8.210 nan 0.000 0.448 16 M N 6.207 125.821 119.600 0.024 0.000 2.125 16 M HA 0.735 5.215 4.480 0.001 0.000 0.321 16 M C -0.663 175.679 176.300 0.070 0.000 0.983 16 M CA -0.314 55.007 55.300 0.036 0.000 0.934 16 M CB 1.950 34.574 32.600 0.039 0.000 1.542 16 M HN 0.723 nan 8.290 nan 0.000 0.424 17 A N 1.887 124.747 122.820 0.067 0.000 2.547 17 A HA 0.353 4.673 4.320 0.001 0.000 0.298 17 A C -1.443 176.216 177.584 0.126 0.000 1.062 17 A CA -0.722 51.373 52.037 0.096 0.000 0.748 17 A CB 0.696 19.750 19.000 0.089 0.000 1.288 17 A HN 0.931 nan 8.150 nan 0.000 0.396 18 H N 2.174 121.256 119.070 0.020 0.000 2.948 18 H HA 0.088 4.645 4.556 0.001 0.000 0.351 18 H C 0.978 176.310 175.328 0.007 0.000 1.079 18 H CA -0.437 55.618 56.048 0.012 0.000 1.407 18 H CB 0.464 30.229 29.762 0.006 0.000 1.373 18 H HN 0.551 nan 8.280 nan 0.000 0.605 19 I N 3.290 123.976 120.570 0.193 0.000 2.335 19 I HA -0.234 3.937 4.170 0.001 0.000 0.251 19 I C 1.572 177.614 176.117 -0.125 0.000 1.129 19 I CA 1.157 62.462 61.300 0.009 0.000 1.402 19 I CB -0.937 37.074 38.000 0.018 0.000 1.069 19 I HN 0.708 nan 8.210 nan 0.000 0.424 20 D N 1.011 121.197 120.400 -0.357 0.000 2.264 20 D HA -0.036 4.604 4.640 0.001 0.000 0.208 20 D C 2.070 178.277 176.300 -0.155 0.000 0.966 20 D CA 1.022 54.834 54.000 -0.314 0.000 0.864 20 D CB 0.078 40.576 40.800 -0.503 0.000 0.933 20 D HN 0.315 nan 8.370 nan 0.000 0.499 21 A N -0.463 122.314 122.820 -0.073 0.000 2.208 21 A HA 0.449 4.769 4.320 0.001 0.000 0.209 21 A C 1.500 179.088 177.584 0.007 0.000 1.161 21 A CA 0.792 52.823 52.037 -0.010 0.000 0.782 21 A CB -0.134 18.894 19.000 0.048 0.000 0.816 21 A HN 0.212 nan 8.150 nan 0.000 0.477 22 G N 0.028 108.827 108.800 -0.003 0.000 2.356 22 G HA2 -0.218 3.743 3.960 0.001 0.000 0.233 22 G HA3 -0.218 3.743 3.960 0.001 0.000 0.233 22 G C 0.589 175.515 174.900 0.044 0.000 1.105 22 G CA 0.528 45.635 45.100 0.011 0.000 0.861 22 G HN 0.533 nan 8.290 nan 0.000 0.493 23 K N -0.255 120.168 120.400 0.038 0.000 2.148 23 K HA -0.102 4.219 4.320 0.001 0.000 0.204 23 K C 2.726 179.346 176.600 0.035 0.000 1.050 23 K CA 2.231 58.546 56.287 0.047 0.000 0.942 23 K CB -0.170 32.356 32.500 0.044 0.000 0.724 23 K HN 0.621 nan 8.250 nan 0.000 0.446 24 T N -2.625 111.942 114.554 0.023 0.000 2.937 24 T HA -0.026 4.325 4.350 0.001 0.000 0.260 24 T C 1.916 176.635 174.700 0.033 0.000 1.051 24 T CA 1.421 63.532 62.100 0.018 0.000 1.141 24 T CB -0.421 68.450 68.868 0.005 0.000 0.879 24 T HN 0.063 nan 8.240 nan 0.000 0.459 25 T N 2.199 116.778 114.554 0.042 0.000 2.746 25 T HA -0.074 4.277 4.350 0.001 0.000 0.267 25 T C 2.188 176.944 174.700 0.094 0.000 1.039 25 T CA 1.883 64.031 62.100 0.080 0.000 1.142 25 T CB -0.886 68.043 68.868 0.102 0.000 0.866 25 T HN 0.505 nan 8.240 nan 0.000 0.444 26 T N 1.769 116.377 114.554 0.091 0.000 2.777 26 T HA -0.097 4.253 4.350 0.001 0.000 0.266 26 T C 2.298 177.019 174.700 0.035 0.000 1.040 26 T CA 1.527 63.676 62.100 0.082 0.000 1.141 26 T CB -0.653 68.280 68.868 0.108 0.000 0.868 26 T HN 0.383 nan 8.240 nan 0.000 0.444 27 T N 1.821 116.393 114.554 0.031 0.000 2.708 27 T HA -0.114 4.237 4.350 0.001 0.000 0.266 27 T C 1.952 176.671 174.700 0.033 0.000 1.037 27 T CA 1.103 63.212 62.100 0.016 0.000 1.146 27 T CB -0.244 68.630 68.868 0.009 0.000 0.865 27 T HN 0.360 nan 8.240 nan 0.000 0.435 28 E N 1.223 121.452 120.200 0.047 0.000 2.085 28 E HA -0.180 4.170 4.350 0.001 0.000 0.194 28 E C 2.367 179.019 176.600 0.087 0.000 0.994 28 E CA 1.034 57.470 56.400 0.060 0.000 0.801 28 E CB -0.037 29.696 29.700 0.054 0.000 0.743 28 E HN 0.256 nan 8.360 nan 0.000 0.453 29 R N 0.216 120.771 120.500 0.091 0.000 2.075 29 R HA -0.042 4.299 4.340 0.001 0.000 0.232 29 R C 2.624 179.055 176.300 0.218 0.000 1.126 29 R CA 0.775 56.962 56.100 0.144 0.000 0.963 29 R CB -0.789 29.610 30.300 0.165 0.000 0.858 29 R HN 0.325 nan 8.270 nan 0.000 0.435 30 I N 1.014 121.642 120.570 0.096 0.000 2.208 30 I HA -0.284 3.886 4.170 0.001 0.000 0.245 30 I C 2.357 178.518 176.117 0.074 0.000 1.097 30 I CA 1.191 62.510 61.300 0.031 0.000 1.363 30 I CB -0.256 37.706 38.000 -0.064 0.000 1.051 30 I HN 0.071 nan 8.210 nan 0.000 0.413 31 L N -0.768 120.501 121.223 0.077 0.000 2.083 31 L HA -0.257 4.083 4.340 0.001 0.000 0.209 31 L C 2.647 179.580 176.870 0.105 0.000 1.083 31 L CA 1.557 56.441 54.840 0.073 0.000 0.752 31 L CB -0.767 41.327 42.059 0.058 0.000 0.899 31 L HN 0.315 nan 8.230 nan 0.000 0.433 32 Y N -0.144 120.157 120.300 0.003 0.000 2.133 32 Y HA -0.300 4.250 4.550 0.001 0.000 0.287 32 Y C 2.488 178.423 175.900 0.059 0.000 1.134 32 Y CA 1.669 59.741 58.100 -0.046 0.000 1.133 32 Y CB -0.513 37.847 38.460 -0.167 0.000 0.987 32 Y HN -0.003 nan 8.280 nan 0.000 0.502 33 Y N -0.177 120.262 120.300 0.230 0.000 2.293 33 Y HA -0.179 4.371 4.550 0.001 0.000 0.291 33 Y C 2.591 178.671 175.900 0.298 0.000 1.137 33 Y CA 1.648 59.872 58.100 0.206 0.000 1.202 33 Y CB -0.361 38.088 38.460 -0.018 0.000 0.990 33 Y HN 0.273 nan 8.280 nan 0.000 0.537 34 T N -2.705 112.030 114.554 0.302 0.000 3.107 34 T HA 0.262 4.613 4.350 0.001 0.000 0.249 34 T C 1.079 175.905 174.700 0.210 0.000 1.096 34 T CA 0.236 62.512 62.100 0.294 0.000 1.012 34 T CB -0.378 68.573 68.868 0.138 0.000 0.977 34 T HN 0.180 nan 8.240 nan 0.000 0.527 35 G N 0.712 109.587 108.800 0.124 0.000 2.525 35 G HA2 0.446 4.406 3.960 0.001 0.000 0.287 35 G HA3 0.446 4.406 3.960 0.001 0.000 0.287 35 G C 0.540 175.376 174.900 -0.106 0.000 1.350 35 G CA -0.978 44.117 45.100 -0.008 0.000 1.039 35 G HN 0.273 nan 8.290 nan 0.000 0.513 36 R N -1.464 118.929 120.500 -0.178 0.000 2.254 36 R HA 0.235 4.575 4.340 0.001 0.000 0.195 36 R C 0.205 176.249 176.300 -0.426 0.000 0.957 36 R CA 0.280 56.263 56.100 -0.196 0.000 1.024 36 R CB 0.196 30.453 30.300 -0.072 0.000 0.952 36 R HN 0.323 nan 8.270 nan 0.000 0.484 37 I N 2.058 122.273 120.570 -0.592 0.000 2.359 37 I HA 0.241 4.411 4.170 0.001 0.000 0.284 37 I C -0.128 175.581 176.117 -0.680 0.000 1.018 37 I CA -0.568 60.446 61.300 -0.476 0.000 1.173 37 I CB 0.822 38.690 38.000 -0.221 0.000 1.326 37 I HN 0.059 nan 8.210 nan 0.000 0.462 65 S N 2.556 118.240 115.700 -0.026 0.000 2.533 65 S HA 0.487 4.957 4.470 0.001 0.000 0.282 65 S C 1.813 176.277 174.600 -0.227 0.000 1.304 65 S CA 0.266 58.419 58.200 -0.077 0.000 1.063 65 S CB 0.320 63.528 63.200 0.013 0.000 0.881 65 S HN 1.097 nan 8.310 nan 0.000 0.493 66 A N 4.158 126.656 122.820 -0.536 0.000 1.986 66 A HA 0.288 4.609 4.320 0.001 0.000 0.220 66 A C 0.965 178.359 177.584 -0.318 0.000 1.171 66 A CA 1.483 53.171 52.037 -0.583 0.000 0.640 66 A CB -0.435 17.854 19.000 -1.185 0.000 0.811 66 A HN 1.341 nan 8.150 nan 0.000 0.451 67 A N -2.084 120.546 122.820 -0.317 0.000 2.488 67 A HA 0.586 4.906 4.320 0.001 0.000 0.295 67 A C -0.479 177.119 177.584 0.024 0.000 1.045 67 A CA -0.252 51.770 52.037 -0.025 0.000 0.703 67 A CB 0.838 19.940 19.000 0.170 0.000 1.271 67 A HN 0.094 nan 8.150 nan 0.000 0.400 68 T N 2.300 116.850 114.554 -0.005 0.000 2.771 68 T HA 0.521 4.872 4.350 0.001 0.000 0.281 68 T C 0.063 174.718 174.700 -0.075 0.000 0.982 68 T CA -0.045 62.043 62.100 -0.019 0.000 0.978 68 T CB 1.105 69.962 68.868 -0.019 0.000 0.930 68 T HN 0.608 nan 8.240 nan 0.000 0.447 69 T N 3.506 117.960 114.554 -0.166 0.000 2.761 69 T HA 0.622 4.972 4.350 0.001 0.000 0.296 69 T C 0.196 174.683 174.700 -0.355 0.000 0.934 69 T CA -0.412 61.501 62.100 -0.313 0.000 1.091 69 T CB 0.577 69.129 68.868 -0.527 0.000 0.896 69 T HN 0.804 nan 8.240 nan 0.000 0.515 70 A N 2.429 125.126 122.820 -0.204 0.000 2.535 70 A HA 1.018 5.338 4.320 0.001 0.000 0.296 70 A C -1.398 176.136 177.584 -0.083 0.000 1.248 70 A CA -0.769 51.214 52.037 -0.090 0.000 0.686 70 A CB 1.217 20.200 19.000 -0.028 0.000 1.315 70 A HN 1.118 nan 8.150 nan 0.000 0.460 71 A N -0.782 122.053 122.820 0.025 0.000 2.574 71 A HA 0.705 5.026 4.320 0.001 0.000 0.297 71 A C -1.689 176.037 177.584 0.237 0.000 1.062 71 A CA -0.145 51.903 52.037 0.020 0.000 0.686 71 A CB 1.065 20.083 19.000 0.031 0.000 1.285 71 A HN 1.678 nan 8.150 nan 0.000 0.403 72 W N 2.032 123.316 121.300 -0.026 0.000 3.326 72 W HA 0.386 5.047 4.660 0.001 0.000 0.333 72 W C -0.707 175.836 176.519 0.041 0.000 1.108 72 W CA -0.220 57.124 57.345 -0.002 0.000 1.245 72 W CB 1.259 30.689 29.460 -0.050 0.000 1.331 72 W HN 0.941 nan 8.180 nan 0.000 0.464 73 E N 2.943 122.852 120.200 -0.486 0.000 2.297 73 E HA -0.207 4.144 4.350 0.001 0.000 0.228 73 E C 0.887 177.540 176.600 0.090 0.000 1.213 73 E CA 1.816 58.033 56.400 -0.305 0.000 0.712 73 E CB -1.450 28.026 29.700 -0.373 0.000 1.202 73 E HN 1.061 nan 8.360 nan 0.000 0.376 74 G N 0.123 108.997 108.800 0.123 0.000 2.155 74 G HA2 -0.346 3.614 3.960 0.001 0.000 0.257 74 G HA3 -0.346 3.614 3.960 0.001 0.000 0.257 74 G C -0.067 175.010 174.900 0.294 0.000 0.983 74 G CA 0.976 46.219 45.100 0.239 0.000 0.676 74 G HN 0.517 nan 8.290 nan 0.000 0.528 75 H N -1.106 118.010 119.070 0.076 0.000 2.469 75 H HA 0.676 5.233 4.556 0.001 0.000 0.342 75 H C 0.435 175.466 175.328 -0.494 0.000 1.115 75 H CA -0.839 55.170 56.048 -0.065 0.000 1.204 75 H CB 1.205 30.963 29.762 -0.007 0.000 1.492 75 H HN 0.273 nan 8.280 nan 0.000 0.499 76 R N 2.055 122.106 120.500 -0.748 0.000 2.449 76 R HA 0.288 4.629 4.340 0.001 0.000 0.296 76 R C -1.496 174.647 176.300 -0.262 0.000 1.047 76 R CA -0.064 55.579 56.100 -0.761 0.000 1.018 76 R CB -0.071 29.864 30.300 -0.608 0.000 0.962 76 R HN 0.426 nan 8.270 nan 0.000 0.428 77 V N 5.742 125.535 119.914 -0.201 0.000 2.444 77 V HA 0.353 4.474 4.120 0.001 0.000 0.294 77 V C -0.533 175.499 176.094 -0.103 0.000 1.022 77 V CA -0.828 61.413 62.300 -0.098 0.000 0.850 77 V CB 1.710 33.507 31.823 -0.044 0.000 0.992 77 V HN 0.898 nan 8.190 nan 0.000 0.426 78 N N 4.522 123.171 118.700 -0.085 0.000 2.424 78 N HA 0.631 5.372 4.740 0.001 0.000 0.271 78 N C -1.075 174.395 175.510 -0.067 0.000 0.985 78 N CA -0.564 52.441 53.050 -0.075 0.000 0.921 78 N CB 1.869 40.320 38.487 -0.061 0.000 1.149 78 N HN 0.533 nan 8.380 nan 0.000 0.492 79 I N 3.441 123.975 120.570 -0.060 0.000 2.306 79 I HA 0.290 4.461 4.170 0.001 0.000 0.288 79 I C -0.388 175.695 176.117 -0.056 0.000 1.036 79 I CA -0.246 61.019 61.300 -0.059 0.000 1.221 79 I CB 0.614 38.584 38.000 -0.050 0.000 1.385 79 I HN 0.391 nan 8.210 nan 0.000 0.472 80 I N 5.120 125.644 120.570 -0.076 0.000 2.331 80 I HA 0.198 4.368 4.170 0.001 0.000 0.292 80 I C 0.248 176.314 176.117 -0.084 0.000 0.998 80 I CA -0.580 60.665 61.300 -0.091 0.000 1.267 80 I CB 1.055 38.948 38.000 -0.178 0.000 1.386 80 I HN 0.490 nan 8.210 nan 0.000 0.476 81 D N 4.752 125.111 120.400 -0.068 0.000 2.455 81 D HA 0.128 4.768 4.640 0.001 0.000 0.241 81 D C -0.247 176.003 176.300 -0.084 0.000 1.138 81 D CA 0.218 54.177 54.000 -0.069 0.000 0.877 81 D CB 0.768 41.526 40.800 -0.070 0.000 1.187 81 D HN 0.608 nan 8.370 nan 0.000 0.451 82 T N 1.542 116.042 114.554 -0.090 0.000 2.856 82 T HA 0.678 5.029 4.350 0.001 0.000 0.283 82 T C -2.516 172.096 174.700 -0.147 0.000 1.008 82 T CA -1.832 60.198 62.100 -0.117 0.000 0.997 82 T CB 1.579 70.385 68.868 -0.102 0.000 0.992 82 T HN 0.135 nan 8.240 nan 0.000 0.454 83 P HA 0.375 nan 4.420 nan 0.000 0.274 83 P C 0.433 177.543 177.300 -0.317 0.000 1.237 83 P CA -0.400 62.480 63.100 -0.367 0.000 0.793 83 P CB 0.286 31.528 31.700 -0.762 0.000 0.977 84 G N 0.576 109.249 108.800 -0.212 0.000 3.506 84 G HA2 0.146 4.106 3.960 0.001 0.000 0.268 84 G HA3 0.146 4.106 3.960 0.001 0.000 0.268 84 G C -0.501 174.445 174.900 0.077 0.000 0.959 84 G CA -0.205 44.862 45.100 -0.055 0.000 1.823 84 G HN 0.564 nan 8.290 nan 0.000 0.615 85 H N 0.284 119.346 119.070 -0.014 0.000 2.467 85 H HA 0.186 4.743 4.556 0.001 0.000 0.326 85 H C 1.298 176.626 175.328 -0.000 0.000 1.094 85 H CA -1.116 54.925 56.048 -0.012 0.000 1.253 85 H CB 2.558 32.300 29.762 -0.035 0.000 1.439 85 H HN 0.135 nan 8.280 nan 0.000 0.479 86 V N -0.841 119.151 119.914 0.131 0.000 2.970 86 V HA -0.028 4.093 4.120 0.001 0.000 0.260 86 V C 0.201 176.352 176.094 0.095 0.000 1.100 86 V CA 0.984 63.329 62.300 0.074 0.000 1.122 86 V CB -0.198 31.653 31.823 0.046 0.000 0.721 86 V HN 0.613 nan 8.190 nan 0.000 0.483 87 D N -0.288 120.178 120.400 0.110 0.000 2.433 87 D HA 0.384 5.025 4.640 0.001 0.000 0.236 87 D C -1.065 175.308 176.300 0.122 0.000 1.026 87 D CA -0.628 53.436 54.000 0.107 0.000 0.884 87 D CB 2.240 43.079 40.800 0.065 0.000 1.384 87 D HN 0.204 nan 8.370 nan 0.000 0.477 88 F N 2.375 122.290 119.950 -0.059 0.000 2.434 88 F HA 0.183 4.711 4.527 0.001 0.000 0.358 88 F C 0.600 176.344 175.800 -0.093 0.000 1.136 88 F CA -0.199 57.761 58.000 -0.066 0.000 1.157 88 F CB 0.068 39.013 39.000 -0.092 0.000 1.167 88 F HN 0.107 nan 8.300 nan 0.000 0.539 89 T N 1.645 115.950 114.554 -0.415 0.000 2.948 89 T HA 0.305 4.655 4.350 0.001 0.000 0.285 89 T C 1.087 175.507 174.700 -0.467 0.000 1.019 89 T CA -0.786 61.121 62.100 -0.322 0.000 1.013 89 T CB 1.502 70.299 68.868 -0.118 0.000 1.117 89 T HN 0.269 nan 8.240 nan 0.000 0.533 90 V N 0.781 120.535 119.914 -0.267 0.000 2.453 90 V HA -0.156 3.965 4.120 0.001 0.000 0.252 90 V C 2.755 178.740 176.094 -0.181 0.000 1.068 90 V CA 2.412 64.600 62.300 -0.186 0.000 1.070 90 V CB -0.958 30.813 31.823 -0.088 0.000 0.664 90 V HN 1.068 nan 8.190 nan 0.000 0.461 91 E N -0.258 119.863 120.200 -0.131 0.000 2.150 91 E HA -0.157 4.193 4.350 0.001 0.000 0.193 91 E C 2.167 178.658 176.600 -0.182 0.000 0.985 91 E CA 1.208 57.560 56.400 -0.079 0.000 0.814 91 E CB 0.085 29.807 29.700 0.037 0.000 0.752 91 E HN 0.453 nan 8.360 nan 0.000 0.466 92 V N 1.524 121.251 119.914 -0.311 0.000 2.358 92 V HA -0.248 3.873 4.120 0.001 0.000 0.246 92 V C 2.442 178.265 176.094 -0.452 0.000 1.047 92 V CA 2.231 64.293 62.300 -0.396 0.000 1.035 92 V CB -0.569 30.977 31.823 -0.461 0.000 0.658 92 V HN 0.406 nan 8.190 nan 0.000 0.452 93 E N 0.492 120.313 120.200 -0.631 0.000 2.077 93 E HA -0.287 4.064 4.350 0.001 0.000 0.193 93 E C 2.427 178.852 176.600 -0.292 0.000 0.989 93 E CA 1.509 57.620 56.400 -0.482 0.000 0.800 93 E CB -0.174 29.373 29.700 -0.254 0.000 0.746 93 E HN 0.481 nan 8.360 nan 0.000 0.452 94 R N 0.478 120.872 120.500 -0.178 0.000 2.091 94 R HA -0.151 4.189 4.340 0.001 0.000 0.238 94 R C 2.689 178.922 176.300 -0.111 0.000 1.136 94 R CA 1.859 57.914 56.100 -0.075 0.000 0.959 94 R CB -0.328 29.971 30.300 -0.000 0.000 0.856 94 R HN 0.286 nan 8.270 nan 0.000 0.437 95 S N 0.284 115.889 115.700 -0.158 0.000 2.382 95 S HA -0.123 4.348 4.470 0.001 0.000 0.228 95 S C 2.021 176.511 174.600 -0.183 0.000 1.027 95 S CA 1.067 59.154 58.200 -0.188 0.000 0.991 95 S CB -0.387 62.707 63.200 -0.177 0.000 0.823 95 S HN 0.373 nan 8.310 nan 0.000 0.469 96 L N 0.470 121.573 121.223 -0.199 0.000 2.201 96 L HA 0.086 4.426 4.340 0.001 0.000 0.212 96 L C 2.955 179.789 176.870 -0.060 0.000 1.105 96 L CA 1.015 55.758 54.840 -0.162 0.000 0.775 96 L CB -0.347 41.525 42.059 -0.311 0.000 0.913 96 L HN 0.285 nan 8.230 nan 0.000 0.440 97 R N -1.143 119.329 120.500 -0.047 0.000 2.240 97 R HA -0.004 4.336 4.340 0.001 0.000 0.203 97 R C 1.995 178.358 176.300 0.105 0.000 1.011 97 R CA 0.379 56.517 56.100 0.062 0.000 1.007 97 R CB 0.102 30.441 30.300 0.065 0.000 0.911 97 R HN 0.174 nan 8.270 nan 0.000 0.468 98 V N 1.433 121.330 119.914 -0.028 0.000 2.492 98 V HA -0.001 4.120 4.120 0.001 0.000 0.241 98 V C 0.808 176.812 176.094 -0.150 0.000 1.041 98 V CA 0.485 62.708 62.300 -0.128 0.000 1.057 98 V CB -0.108 31.408 31.823 -0.511 0.000 0.711 98 V HN 0.166 nan 8.190 nan 0.000 0.468 99 L N -1.339 119.792 121.223 -0.153 0.000 2.436 99 L HA 0.446 4.787 4.340 0.001 0.000 0.265 99 L C 0.660 177.507 176.870 -0.039 0.000 1.168 99 L CA 0.535 55.308 54.840 -0.111 0.000 0.815 99 L CB -0.061 41.928 42.059 -0.116 0.000 1.109 99 L HN -0.061 nan 8.230 nan 0.000 0.462 100 D N 0.692 121.076 120.400 -0.027 0.000 2.394 100 D HA 0.257 4.897 4.640 0.001 0.000 0.226 100 D C 0.646 176.947 176.300 0.002 0.000 0.990 100 D CA 1.035 55.039 54.000 0.006 0.000 0.902 100 D CB 0.805 41.615 40.800 0.015 0.000 1.038 100 D HN 0.800 nan 8.370 nan 0.000 0.499 101 G N -0.499 108.294 108.800 -0.013 0.000 2.694 101 G HA2 0.673 4.633 3.960 0.001 0.000 0.290 101 G HA3 0.673 4.633 3.960 0.001 0.000 0.290 101 G C -1.604 173.281 174.900 -0.025 0.000 1.386 101 G CA -0.286 44.809 45.100 -0.010 0.000 0.872 101 G HN 0.184 nan 8.290 nan 0.000 0.475 102 A N -0.629 122.179 122.820 -0.021 0.000 2.556 102 A HA 0.767 5.087 4.320 0.001 0.000 0.294 102 A C -1.274 176.311 177.584 0.002 0.000 1.091 102 A CA -0.537 51.485 52.037 -0.025 0.000 0.704 102 A CB 1.896 20.870 19.000 -0.043 0.000 1.300 102 A HN 1.268 nan 8.150 nan 0.000 0.406 103 V N 1.728 121.645 119.914 0.006 0.000 2.350 103 V HA 0.432 4.553 4.120 0.001 0.000 0.276 103 V C 0.074 176.214 176.094 0.077 0.000 1.028 103 V CA -0.243 62.082 62.300 0.041 0.000 0.860 103 V CB 1.181 33.001 31.823 -0.003 0.000 0.990 103 V HN 0.872 nan 8.190 nan 0.000 0.453 104 T N 5.157 119.791 114.554 0.133 0.000 2.743 104 T HA 0.457 4.808 4.350 0.001 0.000 0.293 104 T C -0.083 174.725 174.700 0.181 0.000 0.945 104 T CA -0.216 61.987 62.100 0.171 0.000 1.030 104 T CB 1.172 70.222 68.868 0.303 0.000 0.912 104 T HN 0.360 nan 8.240 nan 0.000 0.483 105 V N 5.828 125.836 119.914 0.155 0.000 2.398 105 V HA 0.496 4.616 4.120 0.001 0.000 0.286 105 V C -0.050 176.097 176.094 0.089 0.000 1.026 105 V CA -0.798 61.602 62.300 0.167 0.000 0.868 105 V CB 1.142 33.079 31.823 0.189 0.000 0.982 105 V HN 0.714 nan 8.190 nan 0.000 0.443 106 L N 2.858 124.101 121.223 0.033 0.000 2.342 106 L HA 0.590 4.931 4.340 0.001 0.000 0.271 106 L C -0.318 176.524 176.870 -0.047 0.000 1.008 106 L CA -0.800 54.028 54.840 -0.019 0.000 0.818 106 L CB 2.001 44.015 42.059 -0.075 0.000 1.296 106 L HN 0.506 nan 8.230 nan 0.000 0.427 107 D N 1.180 121.559 120.400 -0.034 0.000 2.343 107 D HA 0.207 4.848 4.640 0.001 0.000 0.255 107 D C 0.780 177.049 176.300 -0.052 0.000 1.187 107 D CA 0.043 54.015 54.000 -0.047 0.000 0.875 107 D CB 2.043 42.825 40.800 -0.031 0.000 1.136 107 D HN 0.623 nan 8.370 nan 0.000 0.469 108 A N 4.369 127.145 122.820 -0.074 0.000 2.024 108 A HA -0.214 4.107 4.320 0.001 0.000 0.220 108 A C 1.888 179.473 177.584 0.002 0.000 1.164 108 A CA 1.319 53.325 52.037 -0.053 0.000 0.643 108 A CB -0.420 18.524 19.000 -0.092 0.000 0.806 108 A HN 0.749 nan 8.150 nan 0.000 0.451 109 Q N -0.107 119.689 119.800 -0.006 0.000 2.123 109 Q HA -0.117 4.224 4.340 0.001 0.000 0.199 109 Q C 1.893 177.934 176.000 0.069 0.000 0.966 109 Q CA 1.842 57.649 55.803 0.007 0.000 0.845 109 Q CB -0.018 28.705 28.738 -0.025 0.000 0.907 109 Q HN 0.758 nan 8.270 nan 0.000 0.439 110 S N -2.068 113.683 115.700 0.085 0.000 2.578 110 S HA 0.337 4.807 4.470 0.001 0.000 0.228 110 S C 1.025 175.695 174.600 0.116 0.000 1.022 110 S CA 0.387 58.678 58.200 0.153 0.000 0.967 110 S CB 0.805 64.049 63.200 0.073 0.000 0.914 110 S HN 0.591 nan 8.310 nan 0.000 0.515 111 G N 1.940 110.743 108.800 0.005 0.000 2.596 111 G HA2 -0.301 3.659 3.960 0.001 0.000 0.295 111 G HA3 -0.301 3.659 3.960 0.001 0.000 0.295 111 G C 0.129 174.946 174.900 -0.138 0.000 1.240 111 G CA 0.153 45.164 45.100 -0.149 0.000 0.985 111 G HN 1.580 nan 8.290 nan 0.000 0.555 112 V N 1.865 121.647 119.914 -0.219 0.000 2.439 112 V HA 0.556 4.677 4.120 0.001 0.000 0.271 112 V C 0.623 176.650 176.094 -0.111 0.000 1.040 112 V CA 0.202 62.388 62.300 -0.190 0.000 1.002 112 V CB 0.608 32.245 31.823 -0.310 0.000 1.000 112 V HN 0.672 nan 8.190 nan 0.000 0.477 113 E N 6.500 126.670 120.200 -0.050 0.000 2.280 113 E HA 0.325 4.676 4.350 0.001 0.000 0.261 113 E C -1.884 174.687 176.600 -0.048 0.000 1.088 113 E CA -1.751 54.641 56.400 -0.013 0.000 0.915 113 E CB 1.107 30.850 29.700 0.072 0.000 1.141 113 E HN 0.461 nan 8.360 nan 0.000 0.433 114 P HA -0.188 nan 4.420 nan 0.000 0.215 114 P C 1.069 178.328 177.300 -0.069 0.000 1.157 114 P CA 1.519 64.591 63.100 -0.047 0.000 0.874 114 P CB 0.251 31.929 31.700 -0.037 0.000 0.790 115 Q N -1.140 118.575 119.800 -0.141 0.000 2.096 115 Q HA -0.140 4.201 4.340 0.001 0.000 0.204 115 Q C 2.137 178.074 176.000 -0.104 0.000 0.982 115 Q CA 2.310 58.005 55.803 -0.180 0.000 0.850 115 Q CB -1.600 26.877 28.738 -0.436 0.000 0.901 115 Q HN 0.256 nan 8.270 nan 0.000 0.422 116 T N 0.495 114.992 114.554 -0.095 0.000 2.684 116 T HA -0.243 4.108 4.350 0.001 0.000 0.267 116 T C 1.666 176.386 174.700 0.032 0.000 1.036 116 T CA 1.572 63.663 62.100 -0.015 0.000 1.148 116 T CB -0.312 68.537 68.868 -0.031 0.000 0.863 116 T HN 0.462 nan 8.240 nan 0.000 0.436 117 E N 0.854 121.043 120.200 -0.018 0.000 2.058 117 E HA -0.205 4.146 4.350 0.001 0.000 0.194 117 E C 2.391 179.042 176.600 0.085 0.000 0.997 117 E CA 1.880 58.282 56.400 0.004 0.000 0.801 117 E CB -0.259 29.416 29.700 -0.042 0.000 0.746 117 E HN 0.670 nan 8.360 nan 0.000 0.450 118 T N -1.570 113.021 114.554 0.061 0.000 2.720 118 T HA -0.140 4.210 4.350 0.001 0.000 0.268 118 T C 1.986 176.754 174.700 0.114 0.000 1.037 118 T CA 1.467 63.617 62.100 0.083 0.000 1.144 118 T CB -0.677 68.233 68.868 0.070 0.000 0.864 118 T HN 0.064 nan 8.240 nan 0.000 0.444 119 V N 0.079 120.062 119.914 0.114 0.000 2.358 119 V HA -0.080 4.041 4.120 0.001 0.000 0.246 119 V C 2.317 178.495 176.094 0.141 0.000 1.047 119 V CA 1.553 63.924 62.300 0.118 0.000 1.035 119 V CB -0.926 30.947 31.823 0.084 0.000 0.658 119 V HN 0.663 nan 8.190 nan 0.000 0.452 120 W N 1.511 122.797 121.300 -0.023 0.000 2.355 120 W HA -0.167 4.494 4.660 0.001 0.000 0.309 120 W C 2.588 179.094 176.519 -0.021 0.000 1.206 120 W CA 1.819 59.135 57.345 -0.048 0.000 1.284 120 W CB -0.335 29.062 29.460 -0.105 0.000 1.145 120 W HN 0.198 nan 8.180 nan 0.000 0.502 121 R N 0.141 120.802 120.500 0.268 0.000 2.081 121 R HA -0.211 4.129 4.340 0.001 0.000 0.235 121 R C 2.366 178.706 176.300 0.068 0.000 1.131 121 R CA 2.134 58.333 56.100 0.164 0.000 0.960 121 R CB -0.736 29.644 30.300 0.134 0.000 0.856 121 R HN 0.307 nan 8.270 nan 0.000 0.436 122 Q N 0.205 120.043 119.800 0.063 0.000 2.061 122 Q HA -0.152 4.189 4.340 0.001 0.000 0.204 122 Q C 2.245 178.323 176.000 0.130 0.000 0.984 122 Q CA 1.851 57.696 55.803 0.069 0.000 0.846 122 Q CB -0.245 28.569 28.738 0.126 0.000 0.902 122 Q HN 0.387 nan 8.270 nan 0.000 0.421 123 A N 0.375 123.215 122.820 0.035 0.000 1.940 123 A HA -0.212 4.108 4.320 0.001 0.000 0.219 123 A C 2.241 179.809 177.584 -0.027 0.000 1.176 123 A CA 1.942 53.967 52.037 -0.020 0.000 0.631 123 A CB -0.969 17.929 19.000 -0.171 0.000 0.814 123 A HN 0.362 nan 8.150 nan 0.000 0.446 124 T N -0.041 114.459 114.554 -0.090 0.000 2.708 124 T HA -0.134 4.217 4.350 0.001 0.000 0.266 124 T C 2.003 176.710 174.700 0.011 0.000 1.037 124 T CA 1.971 64.047 62.100 -0.040 0.000 1.146 124 T CB -0.655 68.211 68.868 -0.004 0.000 0.865 124 T HN 0.585 nan 8.240 nan 0.000 0.435 125 T N 0.901 115.473 114.554 0.030 0.000 2.737 125 T HA -0.125 4.226 4.350 0.001 0.000 0.269 125 T C 1.293 175.913 174.700 -0.133 0.000 1.040 125 T CA 1.225 63.302 62.100 -0.039 0.000 1.142 125 T CB -0.450 68.388 68.868 -0.051 0.000 0.861 125 T HN 0.467 nan 8.240 nan 0.000 0.456 126 Y N 0.784 121.074 120.300 -0.017 0.000 2.471 126 Y HA 0.384 4.934 4.550 0.001 0.000 0.286 126 Y C 1.715 177.608 175.900 -0.012 0.000 1.188 126 Y CA -0.407 57.693 58.100 -0.000 0.000 1.286 126 Y CB -0.333 38.144 38.460 0.028 0.000 1.072 126 Y HN 0.323 nan 8.280 nan 0.000 0.517 127 G N 0.587 109.418 108.800 0.052 0.000 2.246 127 G HA2 -0.243 3.717 3.960 0.001 0.000 0.273 127 G HA3 -0.243 3.717 3.960 0.001 0.000 0.273 127 G C -0.450 174.467 174.900 0.027 0.000 1.055 127 G CA 0.216 45.329 45.100 0.021 0.000 0.851 127 G HN 0.129 nan 8.290 nan 0.000 0.500 128 V N 1.268 121.192 119.914 0.017 0.000 2.348 128 V HA 0.361 4.481 4.120 0.001 0.000 0.270 128 V C -1.446 174.627 176.094 -0.034 0.000 1.037 128 V CA -1.677 60.620 62.300 -0.005 0.000 0.872 128 V CB 1.486 33.297 31.823 -0.021 0.000 1.002 128 V HN 0.169 nan 8.190 nan 0.000 0.464 129 P HA 0.315 nan 4.420 nan 0.000 0.268 129 P C -0.482 176.820 177.300 0.005 0.000 1.205 129 P CA -0.074 63.021 63.100 -0.008 0.000 0.771 129 P CB 0.560 32.265 31.700 0.008 0.000 0.858 130 R N 1.852 122.389 120.500 0.062 0.000 2.621 130 R HA 0.563 4.904 4.340 0.001 0.000 0.284 130 R C -0.312 176.095 176.300 0.179 0.000 0.998 130 R CA -0.815 55.329 56.100 0.073 0.000 0.895 130 R CB 1.574 31.816 30.300 -0.097 0.000 1.195 130 R HN 0.504 nan 8.270 nan 0.000 0.450 131 I N -0.878 119.782 120.570 0.151 0.000 2.577 131 I HA 0.650 4.821 4.170 0.001 0.000 0.305 131 I C -0.552 175.686 176.117 0.202 0.000 0.986 131 I CA -1.070 60.339 61.300 0.181 0.000 1.189 131 I CB 1.754 39.864 38.000 0.182 0.000 1.355 131 I HN 0.134 nan 8.210 nan 0.000 0.476 132 V N 4.729 124.771 119.914 0.213 0.000 2.459 132 V HA 0.365 4.485 4.120 0.001 0.000 0.295 132 V C -0.794 175.456 176.094 0.259 0.000 1.029 132 V CA -0.385 62.041 62.300 0.210 0.000 0.874 132 V CB 1.419 33.318 31.823 0.127 0.000 0.985 132 V HN 0.600 nan 8.190 nan 0.000 0.438 133 F N 5.282 125.277 119.950 0.075 0.000 2.382 133 F HA 0.586 5.113 4.527 0.001 0.000 0.361 133 F C -0.148 175.686 175.800 0.056 0.000 1.109 133 F CA -0.837 57.203 58.000 0.066 0.000 1.031 133 F CB 1.415 40.439 39.000 0.040 0.000 1.234 133 F HN 0.257 nan 8.300 nan 0.000 0.445 134 V N 6.479 126.235 119.914 -0.264 0.000 2.356 134 V HA 0.143 4.264 4.120 0.001 0.000 0.258 134 V C 0.205 175.961 176.094 -0.563 0.000 1.065 134 V CA -0.373 61.775 62.300 -0.253 0.000 0.935 134 V CB 0.088 31.919 31.823 0.013 0.000 1.061 134 V HN 0.721 nan 8.190 nan 0.000 0.484 135 N N 3.566 121.971 118.700 -0.493 0.000 2.458 135 N HA 0.321 5.061 4.740 0.001 0.000 0.271 135 N C 0.291 175.645 175.510 -0.259 0.000 1.210 135 N CA -0.512 52.254 53.050 -0.474 0.000 0.978 135 N CB 0.588 38.971 38.487 -0.174 0.000 1.206 135 N HN 0.551 nan 8.380 nan 0.000 0.536 136 K N 0.320 120.609 120.400 -0.185 0.000 3.192 136 K HA -0.153 4.167 4.320 0.001 0.000 0.278 136 K C 0.476 176.968 176.600 -0.180 0.000 1.164 136 K CA 0.235 56.450 56.287 -0.119 0.000 0.816 136 K CB -0.976 31.475 32.500 -0.081 0.000 1.256 136 K HN 0.491 nan 8.250 nan 0.000 0.497 137 M N 0.746 120.143 119.600 -0.338 0.000 2.446 137 M HA -0.125 4.355 4.480 0.001 0.000 0.263 137 M C 1.525 177.641 176.300 -0.307 0.000 1.066 137 M CA 1.817 56.812 55.300 -0.508 0.000 1.087 137 M CB -0.595 31.263 32.600 -1.237 0.000 1.406 137 M HN 0.350 nan 8.290 nan 0.000 0.459 138 D N -0.047 120.284 120.400 -0.115 0.000 2.339 138 D HA -0.014 4.626 4.640 0.001 0.000 0.217 138 D C 0.609 176.924 176.300 0.024 0.000 1.050 138 D CA 0.065 54.091 54.000 0.044 0.000 0.856 138 D CB -0.184 40.697 40.800 0.135 0.000 0.922 138 D HN 0.392 nan 8.370 nan 0.000 0.518 139 K N 0.404 120.795 120.400 -0.014 0.000 2.087 139 K HA 0.283 4.603 4.320 0.001 0.000 0.255 139 K C -0.039 176.553 176.600 -0.014 0.000 0.988 139 K CA -1.052 55.229 56.287 -0.009 0.000 0.915 139 K CB 1.365 33.851 32.500 -0.023 0.000 1.043 139 K HN -0.080 nan 8.250 nan 0.000 0.457 140 L N 2.435 123.651 121.223 -0.011 0.000 2.559 140 L HA 0.119 4.459 4.340 0.001 0.000 0.274 140 L C 1.038 177.892 176.870 -0.026 0.000 1.205 140 L CA 2.274 57.105 54.840 -0.014 0.000 0.907 140 L CB -0.119 41.931 42.059 -0.014 0.000 1.153 140 L HN 1.051 nan 8.230 nan 0.000 0.490 141 G N 2.846 111.630 108.800 -0.028 0.000 2.176 141 G HA2 -0.215 3.746 3.960 0.001 0.000 0.253 141 G HA3 -0.215 3.746 3.960 0.001 0.000 0.253 141 G C 0.546 175.423 174.900 -0.038 0.000 0.979 141 G CA 0.258 45.333 45.100 -0.042 0.000 0.641 141 G HN 1.369 nan 8.290 nan 0.000 0.530 142 A N 0.068 122.870 122.820 -0.031 0.000 2.565 142 A HA 0.444 4.764 4.320 0.001 0.000 0.237 142 A C 0.584 178.166 177.584 -0.003 0.000 1.053 142 A CA 1.288 53.306 52.037 -0.033 0.000 0.755 142 A CB 0.164 19.123 19.000 -0.069 0.000 0.980 142 A HN 1.155 nan 8.150 nan 0.000 0.506 143 N N 2.091 120.810 118.700 0.032 0.000 2.793 143 N HA 0.084 4.825 4.740 0.001 0.000 0.251 143 N C -0.211 175.372 175.510 0.122 0.000 1.308 143 N CA -0.559 52.540 53.050 0.081 0.000 0.781 143 N CB 0.311 38.836 38.487 0.064 0.000 1.439 143 N HN 0.422 nan 8.380 nan 0.000 0.562 144 F N 2.830 122.760 119.950 -0.034 0.000 2.069 144 F HA -0.086 4.442 4.527 0.001 0.000 0.298 144 F C 2.122 177.903 175.800 -0.032 0.000 1.113 144 F CA 2.162 60.128 58.000 -0.056 0.000 1.214 144 F CB 0.119 39.084 39.000 -0.059 0.000 0.978 144 F HN 0.672 nan 8.300 nan 0.000 0.474 145 E N -1.119 119.088 120.200 0.012 0.000 2.070 145 E HA -0.352 3.998 4.350 0.001 0.000 0.197 145 E C 2.328 178.854 176.600 -0.123 0.000 1.004 145 E CA 1.774 58.121 56.400 -0.088 0.000 0.805 145 E CB -0.717 29.016 29.700 0.054 0.000 0.744 145 E HN 0.609 nan 8.360 nan 0.000 0.451 146 Y N 0.976 121.197 120.300 -0.131 0.000 2.165 146 Y HA -0.229 4.321 4.550 0.001 0.000 0.286 146 Y C 2.459 178.237 175.900 -0.203 0.000 1.155 146 Y CA 2.042 60.061 58.100 -0.136 0.000 1.164 146 Y CB -0.491 37.916 38.460 -0.089 0.000 0.978 146 Y HN 0.003 nan 8.280 nan 0.000 0.513 147 S N -0.540 114.992 115.700 -0.280 0.000 2.370 147 S HA -0.197 4.273 4.470 0.001 0.000 0.226 147 S C 2.093 176.371 174.600 -0.536 0.000 1.033 147 S CA 1.498 59.458 58.200 -0.400 0.000 1.011 147 S CB -0.703 62.349 63.200 -0.246 0.000 0.852 147 S HN 0.354 nan 8.310 nan 0.000 0.457 148 V N 2.281 121.832 119.914 -0.604 0.000 2.343 148 V HA -0.177 3.943 4.120 0.001 0.000 0.247 148 V C 2.686 178.339 176.094 -0.735 0.000 1.051 148 V CA 1.931 63.831 62.300 -0.666 0.000 1.036 148 V CB -1.106 30.305 31.823 -0.686 0.000 0.654 148 V HN 0.718 nan 8.190 nan 0.000 0.451 149 S N 1.121 116.480 115.700 -0.569 0.000 2.400 149 S HA -0.267 4.203 4.470 0.001 0.000 0.232 149 S C 2.126 176.439 174.600 -0.477 0.000 1.025 149 S CA 2.116 60.043 58.200 -0.455 0.000 0.993 149 S CB -1.016 62.033 63.200 -0.251 0.000 0.808 149 S HN 0.781 nan 8.310 nan 0.000 0.478 150 T N 0.917 115.114 114.554 -0.595 0.000 2.833 150 T HA 0.051 4.402 4.350 0.001 0.000 0.269 150 T C 1.830 176.260 174.700 -0.449 0.000 1.054 150 T CA 1.203 63.002 62.100 -0.502 0.000 1.135 150 T CB -0.868 67.680 68.868 -0.534 0.000 0.869 150 T HN 0.420 nan 8.240 nan 0.000 0.466 151 L N 0.287 121.184 121.223 -0.544 0.000 2.012 151 L HA -0.111 4.229 4.340 0.001 0.000 0.210 151 L C 2.881 179.546 176.870 -0.342 0.000 1.073 151 L CA 2.109 56.617 54.840 -0.555 0.000 0.748 151 L CB -0.764 40.938 42.059 -0.596 0.000 0.891 151 L HN 0.447 nan 8.230 nan 0.000 0.431 152 H N -1.279 117.641 119.070 -0.249 0.000 2.299 152 H HA -0.200 4.357 4.556 0.001 0.000 0.302 152 H C 1.974 177.209 175.328 -0.154 0.000 1.078 152 H CA 1.373 57.322 56.048 -0.165 0.000 1.323 152 H CB 0.026 29.712 29.762 -0.127 0.000 1.381 152 H HN 0.357 nan 8.280 nan 0.000 0.498 153 D N 0.267 120.633 120.400 -0.057 0.000 2.097 153 D HA -0.111 4.529 4.640 0.001 0.000 0.197 153 D C 2.163 178.403 176.300 -0.101 0.000 0.984 153 D CA 0.870 54.826 54.000 -0.075 0.000 0.826 153 D CB 0.260 41.004 40.800 -0.093 0.000 0.973 153 D HN 0.060 nan 8.370 nan 0.000 0.460 154 R N -0.340 120.067 120.500 -0.155 0.000 2.119 154 R HA 0.094 4.434 4.340 0.001 0.000 0.222 154 R C 1.861 178.076 176.300 -0.142 0.000 1.088 154 R CA 0.678 56.691 56.100 -0.144 0.000 0.984 154 R CB -0.173 30.017 30.300 -0.184 0.000 0.884 154 R HN 0.371 nan 8.270 nan 0.000 0.447 155 L N -0.554 120.554 121.223 -0.191 0.000 2.920 155 L HA 0.209 4.550 4.340 0.001 0.000 0.257 155 L C 0.646 177.476 176.870 -0.067 0.000 1.150 155 L CA -0.146 54.582 54.840 -0.186 0.000 0.959 155 L CB 0.187 41.962 42.059 -0.473 0.000 1.321 155 L HN 0.099 nan 8.230 nan 0.000 0.555 156 Q N 1.305 121.079 119.800 -0.043 0.000 2.434 156 Q HA -0.223 4.117 4.340 0.001 0.000 0.299 156 Q C 0.056 176.104 176.000 0.079 0.000 1.286 156 Q CA 0.326 56.141 55.803 0.020 0.000 0.872 156 Q CB -0.531 28.221 28.738 0.024 0.000 1.193 156 Q HN 0.529 nan 8.270 nan 0.000 0.466 157 A N 1.125 123.985 122.820 0.066 0.000 2.366 157 A HA 0.250 4.571 4.320 0.001 0.000 0.272 157 A C 0.220 177.973 177.584 0.282 0.000 1.135 157 A CA -0.084 52.068 52.037 0.192 0.000 0.804 157 A CB 0.406 19.370 19.000 -0.061 0.000 1.064 157 A HN 0.550 nan 8.150 nan 0.000 0.499 158 N N 2.048 120.969 118.700 0.368 0.000 2.971 158 N HA 0.297 5.037 4.740 0.001 0.000 0.294 158 N C -0.092 175.566 175.510 0.247 0.000 1.210 158 N CA -0.074 53.142 53.050 0.277 0.000 1.157 158 N CB -0.033 38.596 38.487 0.238 0.000 1.450 158 N HN 0.702 nan 8.380 nan 0.000 0.527 159 A N 1.675 124.632 122.820 0.229 0.000 2.337 159 A HA 0.825 5.145 4.320 0.001 0.000 0.329 159 A C -0.768 176.896 177.584 0.133 0.000 1.146 159 A CA -0.585 51.470 52.037 0.030 0.000 0.800 159 A CB 1.601 20.602 19.000 0.002 0.000 1.220 159 A HN 0.517 nan 8.150 nan 0.000 0.472 160 A N 2.936 125.774 122.820 0.030 0.000 2.520 160 A HA 0.819 5.140 4.320 0.001 0.000 0.298 160 A C -3.154 174.554 177.584 0.206 0.000 1.051 160 A CA -1.677 50.494 52.037 0.224 0.000 0.690 160 A CB 1.121 20.364 19.000 0.405 0.000 1.281 160 A HN 0.520 nan 8.150 nan 0.000 0.402 161 P HA 0.108 nan 4.420 nan 0.000 0.262 161 P C 0.635 178.101 177.300 0.277 0.000 1.182 161 P CA 0.269 63.558 63.100 0.316 0.000 0.761 161 P CB 0.220 32.179 31.700 0.431 0.000 0.795 162 I N -0.472 120.258 120.570 0.265 0.000 4.018 162 I HA 0.291 4.462 4.170 0.001 0.000 0.337 162 I C 0.200 176.440 176.117 0.205 0.000 1.327 162 I CA 0.186 61.621 61.300 0.225 0.000 1.100 162 I CB -0.015 38.120 38.000 0.226 0.000 1.025 162 I HN 0.227 nan 8.210 nan 0.000 0.396 163 Q N 1.302 121.221 119.800 0.198 0.000 2.456 163 Q HA 0.717 5.057 4.340 0.001 0.000 0.284 163 Q C -1.496 174.524 176.000 0.033 0.000 1.061 163 Q CA -0.744 55.130 55.803 0.119 0.000 0.799 163 Q CB 3.478 32.272 28.738 0.093 0.000 1.445 163 Q HN 0.220 nan 8.270 nan 0.000 0.411 164 L N 2.381 123.591 121.223 -0.021 0.000 2.410 164 L HA 0.593 4.933 4.340 0.001 0.000 0.270 164 L C -2.407 174.383 176.870 -0.132 0.000 0.983 164 L CA -2.036 52.735 54.840 -0.114 0.000 0.822 164 L CB 2.269 44.354 42.059 0.043 0.000 1.285 164 L HN 0.399 nan 8.230 nan 0.000 0.409 165 P HA 0.271 nan 4.420 nan 0.000 0.277 165 P C -0.888 176.447 177.300 0.058 0.000 1.240 165 P CA -0.229 62.876 63.100 0.008 0.000 0.798 165 P CB 1.549 33.192 31.700 -0.094 0.000 0.979 166 I N 1.147 121.771 120.570 0.089 0.000 2.355 166 I HA 0.496 4.667 4.170 0.001 0.000 0.288 166 I C 0.663 176.850 176.117 0.116 0.000 0.999 166 I CA -0.019 61.271 61.300 -0.017 0.000 1.163 166 I CB 0.881 38.743 38.000 -0.230 0.000 1.316 166 I HN 0.664 nan 8.210 nan 0.000 0.454 167 G N 4.600 113.494 108.800 0.157 0.000 2.712 167 G HA2 0.197 4.158 3.960 0.001 0.000 0.686 167 G HA3 0.197 4.158 3.960 0.001 0.000 0.686 167 G C -1.027 174.013 174.900 0.235 0.000 1.321 167 G CA -0.328 44.880 45.100 0.180 0.000 0.813 167 G HN 1.035 nan 8.290 nan 0.000 0.599 168 A N 0.196 123.114 122.820 0.163 0.000 2.527 168 A HA 1.000 5.320 4.320 0.001 0.000 0.293 168 A C 0.472 178.119 177.584 0.104 0.000 1.117 168 A CA 0.936 53.037 52.037 0.108 0.000 0.723 168 A CB 1.003 20.036 19.000 0.055 0.000 1.313 168 A HN 2.129 nan 8.150 nan 0.000 0.411 169 E N -0.919 119.319 120.200 0.063 0.000 3.228 169 E HA -0.284 4.067 4.350 0.001 0.000 0.299 169 E C 0.104 176.762 176.600 0.098 0.000 1.446 169 E CA 1.472 57.907 56.400 0.059 0.000 1.835 169 E CB -0.723 29.001 29.700 0.040 0.000 1.933 169 E HN 0.889 nan 8.360 nan 0.000 0.511 170 D N 0.768 121.213 120.400 0.075 0.000 2.350 170 D HA -0.098 4.542 4.640 0.001 0.000 0.216 170 D C 1.125 177.475 176.300 0.084 0.000 0.968 170 D CA 1.273 55.318 54.000 0.076 0.000 0.894 170 D CB -0.250 40.582 40.800 0.053 0.000 0.909 170 D HN 0.268 nan 8.370 nan 0.000 0.520 171 E N -0.915 119.343 120.200 0.097 0.000 2.479 171 E HA 0.129 4.480 4.350 0.001 0.000 0.193 171 E C -0.226 176.452 176.600 0.131 0.000 1.049 171 E CA -0.464 55.991 56.400 0.092 0.000 0.870 171 E CB -0.167 29.582 29.700 0.082 0.000 0.944 171 E HN 0.217 nan 8.360 nan 0.000 0.492 172 F N 1.262 121.218 119.950 0.011 0.000 2.541 172 F HA 0.043 4.571 4.527 0.001 0.000 0.378 172 F C 1.010 176.821 175.800 0.019 0.000 1.068 172 F CA 0.636 58.637 58.000 0.001 0.000 1.199 172 F CB 0.466 39.453 39.000 -0.023 0.000 1.091 172 F HN -0.079 nan 8.300 nan 0.000 0.555 173 E N 3.314 123.230 120.200 -0.473 0.000 2.555 173 E HA 0.406 4.757 4.350 0.001 0.000 0.209 173 E C -0.757 175.692 176.600 -0.253 0.000 0.847 173 E CA 0.127 56.339 56.400 -0.315 0.000 1.438 173 E CB 0.922 30.556 29.700 -0.111 0.000 1.420 173 E HN 0.657 nan 8.360 nan 0.000 0.755 174 A N 0.693 123.333 122.820 -0.301 0.000 2.609 174 A HA 0.724 5.044 4.320 0.001 0.000 0.291 174 A C -1.545 176.052 177.584 0.022 0.000 1.096 174 A CA -0.628 51.369 52.037 -0.067 0.000 0.684 174 A CB 1.199 20.142 19.000 -0.095 0.000 1.282 174 A HN 0.114 nan 8.150 nan 0.000 0.412 175 I N 0.984 121.653 120.570 0.166 0.000 2.533 175 I HA 0.376 4.546 4.170 0.001 0.000 0.290 175 I C -0.958 175.234 176.117 0.126 0.000 1.056 175 I CA -0.375 61.041 61.300 0.193 0.000 1.057 175 I CB 1.997 40.197 38.000 0.334 0.000 1.240 175 I HN 0.493 nan 8.210 nan 0.000 0.423 176 I N 4.545 125.150 120.570 0.058 0.000 2.325 176 I HA 0.117 4.287 4.170 0.001 0.000 0.291 176 I C 0.005 176.185 176.117 0.104 0.000 1.019 176 I CA -0.202 61.118 61.300 0.033 0.000 1.302 176 I CB 0.732 38.735 38.000 0.006 0.000 1.401 176 I HN 0.521 nan 8.210 nan 0.000 0.485 177 D N 7.210 127.692 120.400 0.138 0.000 2.336 177 D HA 0.125 4.765 4.640 0.001 0.000 0.249 177 D C 0.691 177.067 176.300 0.126 0.000 1.213 177 D CA 0.043 54.157 54.000 0.189 0.000 0.870 177 D CB 1.104 42.084 40.800 0.301 0.000 1.076 177 D HN 0.448 nan 8.370 nan 0.000 0.483 178 L N 3.372 124.674 121.223 0.132 0.000 2.313 178 L HA -0.052 4.288 4.340 0.001 0.000 0.214 178 L C 2.245 179.177 176.870 0.104 0.000 1.119 178 L CA 0.092 54.997 54.840 0.108 0.000 0.809 178 L CB 0.036 42.165 42.059 0.117 0.000 0.933 178 L HN 0.327 nan 8.230 nan 0.000 0.449 179 V N -0.405 119.587 119.914 0.130 0.000 2.323 179 V HA -0.181 3.939 4.120 0.001 0.000 0.244 179 V C 2.290 178.447 176.094 0.105 0.000 1.041 179 V CA 1.566 63.941 62.300 0.125 0.000 1.025 179 V CB -0.273 31.658 31.823 0.179 0.000 0.656 179 V HN 0.406 nan 8.190 nan 0.000 0.451 180 E N -0.897 119.371 120.200 0.113 0.000 2.371 180 E HA 0.042 4.392 4.350 0.001 0.000 0.194 180 E C 0.683 177.313 176.600 0.051 0.000 1.012 180 E CA 0.025 56.478 56.400 0.089 0.000 0.860 180 E CB 0.119 29.889 29.700 0.118 0.000 0.811 180 E HN 0.353 nan 8.360 nan 0.000 0.502 181 M N 0.822 120.450 119.600 0.048 0.000 2.253 181 M HA -0.215 4.266 4.480 0.001 0.000 0.195 181 M C -0.396 175.881 176.300 -0.038 0.000 0.512 181 M CA 1.078 56.387 55.300 0.015 0.000 0.442 181 M CB -1.898 30.715 32.600 0.021 0.000 1.189 181 M HN -0.035 nan 8.290 nan 0.000 0.923 182 K N -0.879 119.472 120.400 -0.082 0.000 2.352 182 K HA 0.738 5.058 4.320 0.001 0.000 0.240 182 K C -0.511 175.852 176.600 -0.394 0.000 1.017 182 K CA -0.696 55.438 56.287 -0.255 0.000 0.851 182 K CB 3.017 35.324 32.500 -0.321 0.000 1.261 182 K HN 0.406 nan 8.250 nan 0.000 0.451 183 C N 1.768 120.701 119.300 -0.612 0.000 2.482 183 C HA 0.664 5.125 4.460 0.001 0.000 0.317 183 C C -1.675 172.843 174.990 -0.786 0.000 1.197 183 C CA -0.752 57.950 59.018 -0.526 0.000 1.432 183 C CB -0.325 27.253 27.740 -0.269 0.000 2.062 183 C HN 0.648 nan 8.230 nan 0.000 0.471 184 F N 4.451 124.333 119.950 -0.112 0.000 2.449 184 F HA 0.521 5.049 4.527 0.001 0.000 0.342 184 F C 0.197 175.771 175.800 -0.377 0.000 1.127 184 F CA -0.492 57.365 58.000 -0.238 0.000 0.975 184 F CB 1.269 40.127 39.000 -0.236 0.000 1.146 184 F HN 0.523 nan 8.300 nan 0.000 0.444 185 K N 3.504 123.758 120.400 -0.243 0.000 2.206 185 K HA 0.489 4.809 4.320 0.001 0.000 0.264 185 K C -1.624 174.731 176.600 -0.409 0.000 0.967 185 K CA -0.496 55.632 56.287 -0.264 0.000 0.844 185 K CB 0.829 33.245 32.500 -0.140 0.000 1.099 185 K HN 0.519 nan 8.250 nan 0.000 0.441 186 Y N 1.674 121.928 120.300 -0.077 0.000 2.308 186 Y HA 0.145 4.696 4.550 0.001 0.000 0.329 186 Y C 1.305 177.168 175.900 -0.062 0.000 1.111 186 Y CA -0.270 57.788 58.100 -0.070 0.000 1.179 186 Y CB 1.998 40.387 38.460 -0.119 0.000 1.201 186 Y HN 0.780 nan 8.280 nan 0.000 0.483 187 T N -2.167 112.431 114.554 0.073 0.000 3.040 187 T HA 0.266 4.617 4.350 0.001 0.000 0.266 187 T C -0.110 174.614 174.700 0.040 0.000 1.005 187 T CA -0.059 62.060 62.100 0.033 0.000 0.906 187 T CB -0.388 68.486 68.868 0.010 0.000 1.082 187 T HN 0.692 nan 8.240 nan 0.000 0.531 188 N N -0.461 118.277 118.700 0.063 0.000 3.277 188 N HA 0.303 5.044 4.740 0.001 0.000 0.278 188 N C -1.474 174.055 175.510 0.032 0.000 1.544 188 N CA -0.748 52.325 53.050 0.038 0.000 0.869 188 N CB 0.170 38.674 38.487 0.029 0.000 1.584 188 N HN -0.202 nan 8.380 nan 0.000 0.564 189 D N -0.472 119.924 120.400 -0.007 0.000 2.368 189 D HA 0.275 4.915 4.640 0.001 0.000 0.218 189 D C 0.654 176.914 176.300 -0.066 0.000 1.112 189 D CA 0.212 54.183 54.000 -0.049 0.000 0.834 189 D CB 0.261 41.003 40.800 -0.096 0.000 0.953 189 D HN 0.448 nan 8.370 nan 0.000 0.505 190 L N -1.035 120.180 121.223 -0.014 0.000 2.609 190 L HA 0.287 4.628 4.340 0.001 0.000 0.230 190 L C 1.467 178.378 176.870 0.068 0.000 1.087 190 L CA 0.288 55.120 54.840 -0.014 0.000 0.874 190 L CB 0.477 42.531 42.059 -0.008 0.000 1.114 190 L HN 0.096 nan 8.230 nan 0.000 0.488 191 G N 1.049 109.926 108.800 0.129 0.000 2.141 191 G HA2 -0.248 3.713 3.960 0.001 0.000 0.231 191 G HA3 -0.248 3.713 3.960 0.001 0.000 0.231 191 G C 0.319 175.343 174.900 0.207 0.000 0.984 191 G CA 0.284 45.520 45.100 0.226 0.000 0.660 191 G HN 0.375 nan 8.290 nan 0.000 0.525 192 T N -2.925 111.714 114.554 0.142 0.000 2.927 192 T HA 0.663 5.014 4.350 0.001 0.000 0.286 192 T C 0.422 175.164 174.700 0.070 0.000 1.040 192 T CA 0.402 62.565 62.100 0.104 0.000 1.010 192 T CB 1.688 70.608 68.868 0.085 0.000 1.177 192 T HN 0.824 nan 8.240 nan 0.000 0.546 193 E N -0.256 119.971 120.200 0.044 0.000 2.476 193 E HA -0.167 4.184 4.350 0.001 0.000 0.251 193 E C -0.494 176.104 176.600 -0.002 0.000 1.130 193 E CA 0.146 56.559 56.400 0.021 0.000 0.736 193 E CB -1.704 28.009 29.700 0.022 0.000 1.298 193 E HN 0.630 nan 8.360 nan 0.000 0.400 194 I N 1.621 122.180 120.570 -0.018 0.000 2.618 194 I HA -0.018 4.153 4.170 0.001 0.000 0.284 194 I C 0.979 177.059 176.117 -0.061 0.000 1.146 194 I CA 0.815 62.053 61.300 -0.103 0.000 1.425 194 I CB 0.320 38.223 38.000 -0.161 0.000 1.383 194 I HN 0.018 nan 8.210 nan 0.000 0.562 195 E N 6.327 126.479 120.200 -0.080 0.000 2.133 195 E HA 0.236 4.587 4.350 0.001 0.000 0.274 195 E C -0.695 175.898 176.600 -0.011 0.000 0.930 195 E CA -0.662 55.717 56.400 -0.034 0.000 0.770 195 E CB 1.668 31.338 29.700 -0.051 0.000 1.104 195 E HN 0.496 nan 8.360 nan 0.000 0.403 196 E N 4.133 124.354 120.200 0.035 0.000 2.290 196 E HA 0.210 4.560 4.350 0.001 0.000 0.277 196 E C -0.463 176.065 176.600 -0.119 0.000 1.035 196 E CA -0.160 56.209 56.400 -0.052 0.000 0.873 196 E CB 0.523 30.224 29.700 0.002 0.000 1.029 196 E HN 0.469 nan 8.360 nan 0.000 0.419 197 I N 0.086 120.540 120.570 -0.194 0.000 3.108 197 I HA 0.486 4.656 4.170 0.001 0.000 0.312 197 I C -0.228 175.793 176.117 -0.159 0.000 1.095 197 I CA -1.188 60.028 61.300 -0.141 0.000 1.000 197 I CB 1.677 39.609 38.000 -0.113 0.000 1.229 197 I HN 0.312 nan 8.210 nan 0.000 0.454 198 E N 2.058 122.196 120.200 -0.104 0.000 2.418 198 E HA 0.259 4.610 4.350 0.001 0.000 0.261 198 E C -0.602 175.945 176.600 -0.089 0.000 1.070 198 E CA -0.334 56.013 56.400 -0.088 0.000 0.931 198 E CB 0.912 30.581 29.700 -0.051 0.000 0.954 198 E HN 0.393 nan 8.360 nan 0.000 0.439 199 I N 4.516 125.041 120.570 -0.075 0.000 2.742 199 I HA -0.034 4.136 4.170 0.001 0.000 0.287 199 I C -1.916 174.199 176.117 -0.004 0.000 1.186 199 I CA -1.384 59.889 61.300 -0.046 0.000 1.417 199 I CB -0.200 37.790 38.000 -0.017 0.000 1.377 199 I HN 0.207 nan 8.210 nan 0.000 0.556 200 P HA -0.038 nan 4.420 nan 0.000 0.266 200 P C 0.561 177.920 177.300 0.097 0.000 1.195 200 P CA -0.114 63.024 63.100 0.064 0.000 0.768 200 P CB 0.467 32.240 31.700 0.121 0.000 0.838 201 E N 2.486 122.723 120.200 0.061 0.000 2.070 201 E HA -0.289 4.061 4.350 0.001 0.000 0.197 201 E C 0.833 177.455 176.600 0.036 0.000 1.004 201 E CA 1.620 58.044 56.400 0.040 0.000 0.805 201 E CB -0.733 28.981 29.700 0.022 0.000 0.744 201 E HN 0.514 nan 8.360 nan 0.000 0.451 202 D N 0.047 120.465 120.400 0.029 0.000 2.392 202 D HA -0.173 4.468 4.640 0.001 0.000 0.228 202 D C 1.097 177.284 176.300 -0.189 0.000 1.003 202 D CA 0.811 54.773 54.000 -0.063 0.000 0.917 202 D CB -0.319 40.429 40.800 -0.086 0.000 0.890 202 D HN 0.455 nan 8.370 nan 0.000 0.532 203 H N -0.830 118.249 119.070 0.014 0.000 2.986 203 H HA 0.143 4.699 4.556 0.001 0.000 0.267 203 H C 1.695 177.035 175.328 0.020 0.000 1.072 203 H CA -0.360 55.700 56.048 0.020 0.000 1.202 203 H CB 0.851 30.623 29.762 0.017 0.000 1.535 203 H HN 0.058 nan 8.280 nan 0.000 0.522 204 L N 1.599 122.880 121.223 0.097 0.000 1.994 204 L HA -0.144 4.196 4.340 0.001 0.000 0.208 204 L C 1.761 178.664 176.870 0.056 0.000 1.071 204 L CA 1.776 56.656 54.840 0.066 0.000 0.745 204 L CB -0.398 41.686 42.059 0.042 0.000 0.892 204 L HN 0.086 nan 8.230 nan 0.000 0.431 205 D N -0.627 119.796 120.400 0.038 0.000 2.116 205 D HA -0.273 4.367 4.640 0.001 0.000 0.193 205 D C 2.209 178.539 176.300 0.049 0.000 0.998 205 D CA 1.693 55.714 54.000 0.035 0.000 0.836 205 D CB -0.238 40.573 40.800 0.018 0.000 0.951 205 D HN 0.408 nan 8.370 nan 0.000 0.449 206 R N 1.119 121.651 120.500 0.053 0.000 2.081 206 R HA -0.101 4.239 4.340 0.001 0.000 0.235 206 R C 2.184 178.543 176.300 0.099 0.000 1.131 206 R CA 1.594 57.740 56.100 0.076 0.000 0.960 206 R CB -0.225 30.123 30.300 0.080 0.000 0.856 206 R HN 0.088 nan 8.270 nan 0.000 0.436 207 A N 1.434 124.317 122.820 0.105 0.000 1.902 207 A HA -0.152 4.169 4.320 0.001 0.000 0.217 207 A C 1.991 179.625 177.584 0.082 0.000 1.181 207 A CA 1.512 53.607 52.037 0.096 0.000 0.623 207 A CB -0.412 18.639 19.000 0.085 0.000 0.818 207 A HN 0.443 nan 8.150 nan 0.000 0.443 208 E N -0.449 119.794 120.200 0.072 0.000 2.077 208 E HA -0.224 4.126 4.350 0.001 0.000 0.193 208 E C 1.981 178.627 176.600 0.077 0.000 0.989 208 E CA 1.403 57.844 56.400 0.068 0.000 0.800 208 E CB -0.330 29.404 29.700 0.057 0.000 0.746 208 E HN 0.857 nan 8.360 nan 0.000 0.452 209 E N 0.735 120.980 120.200 0.075 0.000 2.085 209 E HA -0.186 4.164 4.350 0.001 0.000 0.194 209 E C 1.979 178.631 176.600 0.087 0.000 0.994 209 E CA 1.273 57.721 56.400 0.079 0.000 0.801 209 E CB -0.041 29.702 29.700 0.072 0.000 0.743 209 E HN 0.191 nan 8.360 nan 0.000 0.453 210 A N 0.966 123.843 122.820 0.096 0.000 1.930 210 A HA -0.145 4.176 4.320 0.001 0.000 0.217 210 A C 2.183 179.823 177.584 0.094 0.000 1.175 210 A CA 1.390 53.492 52.037 0.109 0.000 0.627 210 A CB -0.484 18.598 19.000 0.136 0.000 0.815 210 A HN 0.214 nan 8.150 nan 0.000 0.443 211 R N -0.378 120.173 120.500 0.084 0.000 2.081 211 R HA -0.096 4.245 4.340 0.001 0.000 0.235 211 R C 2.334 178.656 176.300 0.037 0.000 1.131 211 R CA 1.376 57.516 56.100 0.065 0.000 0.960 211 R CB -0.386 29.955 30.300 0.068 0.000 0.856 211 R HN 0.443 nan 8.270 nan 0.000 0.436 212 A N 0.164 123.023 122.820 0.065 0.000 1.883 212 A HA -0.164 4.156 4.320 0.001 0.000 0.217 212 A C 2.187 179.752 177.584 -0.031 0.000 1.186 212 A CA 2.034 54.110 52.037 0.066 0.000 0.624 212 A CB -0.653 18.454 19.000 0.179 0.000 0.822 212 A HN 0.429 nan 8.150 nan 0.000 0.444 213 S N -0.455 115.256 115.700 0.019 0.000 2.370 213 S HA -0.175 4.295 4.470 0.001 0.000 0.226 213 S C 1.863 176.454 174.600 -0.014 0.000 1.033 213 S CA 1.515 59.721 58.200 0.010 0.000 1.011 213 S CB -0.495 62.742 63.200 0.062 0.000 0.852 213 S HN 0.537 nan 8.310 nan 0.000 0.457 214 L N 1.921 123.147 121.223 0.005 0.000 2.017 214 L HA -0.009 4.332 4.340 0.001 0.000 0.208 214 L C 1.912 178.682 176.870 -0.166 0.000 1.073 214 L CA 1.630 56.468 54.840 -0.004 0.000 0.745 214 L CB -0.611 41.472 42.059 0.040 0.000 0.894 214 L HN 0.268 nan 8.230 nan 0.000 0.432 215 I N -0.431 120.006 120.570 -0.221 0.000 2.226 215 I HA -0.274 3.897 4.170 0.001 0.000 0.245 215 I C 2.414 178.257 176.117 -0.457 0.000 1.100 215 I CA 1.431 62.518 61.300 -0.355 0.000 1.374 215 I CB -0.456 37.302 38.000 -0.404 0.000 1.057 215 I HN 0.357 nan 8.210 nan 0.000 0.413 216 E N 0.932 120.850 120.200 -0.471 0.000 2.077 216 E HA -0.225 4.125 4.350 0.001 0.000 0.193 216 E C 2.368 178.854 176.600 -0.189 0.000 0.989 216 E CA 1.361 57.552 56.400 -0.349 0.000 0.800 216 E CB -0.209 29.368 29.700 -0.206 0.000 0.746 216 E HN 0.544 nan 8.360 nan 0.000 0.452 217 A N 0.876 123.616 122.820 -0.133 0.000 1.930 217 A HA -0.106 4.215 4.320 0.001 0.000 0.217 217 A C 2.475 179.966 177.584 -0.154 0.000 1.175 217 A CA 0.967 52.980 52.037 -0.039 0.000 0.627 217 A CB -0.429 18.666 19.000 0.158 0.000 0.815 217 A HN 0.104 nan 8.150 nan 0.000 0.443 218 V N -0.172 119.512 119.914 -0.383 0.000 2.358 218 V HA -0.180 3.940 4.120 0.001 0.000 0.246 218 V C 2.963 178.901 176.094 -0.259 0.000 1.047 218 V CA 1.723 63.727 62.300 -0.493 0.000 1.035 218 V CB -1.190 30.238 31.823 -0.657 0.000 0.658 218 V HN 0.570 nan 8.190 nan 0.000 0.452 219 A N -0.407 122.281 122.820 -0.219 0.000 2.067 219 A HA -0.154 4.166 4.320 0.001 0.000 0.219 219 A C 2.069 179.604 177.584 -0.082 0.000 1.158 219 A CA 1.145 53.099 52.037 -0.138 0.000 0.661 219 A CB -0.370 18.550 19.000 -0.133 0.000 0.801 219 A HN 0.511 nan 8.150 nan 0.000 0.452 220 E N -0.196 119.958 120.200 -0.076 0.000 2.331 220 E HA -0.150 4.201 4.350 0.001 0.000 0.199 220 E C 1.907 178.492 176.600 -0.026 0.000 1.008 220 E CA 1.657 58.036 56.400 -0.035 0.000 0.843 220 E CB -0.501 29.189 29.700 -0.017 0.000 0.761 220 E HN 0.830 nan 8.360 nan 0.000 0.507 221 T N -3.276 111.252 114.554 -0.044 0.000 3.040 221 T HA 0.132 4.483 4.350 0.001 0.000 0.250 221 T C 0.710 175.388 174.700 -0.037 0.000 1.058 221 T CA -0.061 62.018 62.100 -0.034 0.000 0.988 221 T CB 0.389 69.234 68.868 -0.038 0.000 0.993 221 T HN -0.048 nan 8.240 nan 0.000 0.519 222 S N 0.174 115.847 115.700 -0.045 0.000 2.779 222 S HA 0.405 4.875 4.470 0.001 0.000 0.293 222 S C -0.140 174.447 174.600 -0.022 0.000 1.150 222 S CA -0.620 57.559 58.200 -0.036 0.000 1.057 222 S CB 1.386 64.555 63.200 -0.052 0.000 1.021 222 S HN 0.106 nan 8.310 nan 0.000 0.485 223 D N 3.064 123.458 120.400 -0.010 0.000 2.117 223 D HA -0.081 4.560 4.640 0.001 0.000 0.197 223 D C 1.732 178.035 176.300 0.005 0.000 0.987 223 D CA 1.347 55.347 54.000 -0.000 0.000 0.829 223 D CB 0.225 41.026 40.800 0.001 0.000 0.961 223 D HN 0.773 nan 8.370 nan 0.000 0.460 224 E N 0.215 120.417 120.200 0.002 0.000 2.110 224 E HA -0.141 4.209 4.350 0.001 0.000 0.193 224 E C 2.291 178.897 176.600 0.011 0.000 0.988 224 E CA 0.332 56.736 56.400 0.006 0.000 0.804 224 E CB -0.084 29.618 29.700 0.003 0.000 0.745 224 E HN 0.320 nan 8.360 nan 0.000 0.458 225 L N 0.386 121.609 121.223 0.001 0.000 2.072 225 L HA -0.124 4.216 4.340 0.001 0.000 0.205 225 L C 2.543 179.435 176.870 0.038 0.000 1.079 225 L CA 0.802 55.644 54.840 0.003 0.000 0.752 225 L CB -0.105 41.929 42.059 -0.041 0.000 0.906 225 L HN 0.207 nan 8.230 nan 0.000 0.436 226 M N -0.118 119.500 119.600 0.030 0.000 2.149 226 M HA -0.238 4.242 4.480 0.001 0.000 0.261 226 M C 2.028 178.382 176.300 0.091 0.000 1.064 226 M CA 1.716 57.058 55.300 0.070 0.000 1.102 226 M CB -0.515 32.108 32.600 0.038 0.000 1.369 226 M HN 0.138 nan 8.290 nan 0.000 0.408 227 E N -0.114 120.118 120.200 0.053 0.000 2.072 227 E HA -0.189 4.161 4.350 0.001 0.000 0.191 227 E C 1.967 178.593 176.600 0.043 0.000 0.985 227 E CA 1.093 57.517 56.400 0.039 0.000 0.801 227 E CB -0.035 29.679 29.700 0.023 0.000 0.750 227 E HN 0.553 nan 8.360 nan 0.000 0.452 228 K N -0.234 120.199 120.400 0.055 0.000 2.026 228 K HA -0.193 4.128 4.320 0.001 0.000 0.208 228 K C 2.236 178.891 176.600 0.090 0.000 1.048 228 K CA 1.358 57.681 56.287 0.060 0.000 0.929 228 K CB -0.390 32.145 32.500 0.059 0.000 0.713 228 K HN 0.151 nan 8.250 nan 0.000 0.439 229 Y N 1.604 121.897 120.300 -0.011 0.000 2.089 229 Y HA -0.236 4.315 4.550 0.001 0.000 0.282 229 Y C 1.943 177.840 175.900 -0.006 0.000 1.139 229 Y CA 1.281 59.375 58.100 -0.010 0.000 1.123 229 Y CB -0.423 38.027 38.460 -0.015 0.000 0.980 229 Y HN -0.104 nan 8.280 nan 0.000 0.493 230 L N 0.182 121.378 121.223 -0.045 0.000 2.079 230 L HA -0.113 4.228 4.340 0.001 0.000 0.210 230 L C 2.521 179.328 176.870 -0.105 0.000 1.081 230 L CA 2.005 56.777 54.840 -0.115 0.000 0.752 230 L CB -1.760 40.295 42.059 -0.007 0.000 0.896 230 L HN 0.428 nan 8.230 nan 0.000 0.433 231 G N -1.822 106.946 108.800 -0.054 0.000 3.061 231 G HA2 -0.112 3.849 3.960 0.001 0.000 0.208 231 G HA3 -0.112 3.849 3.960 0.001 0.000 0.208 231 G C 0.464 175.330 174.900 -0.056 0.000 1.175 231 G CA 0.549 45.624 45.100 -0.041 0.000 0.812 231 G HN 0.453 nan 8.290 nan 0.000 0.523 232 D N -0.508 119.830 120.400 -0.104 0.000 2.945 232 D HA -0.144 4.497 4.640 0.001 0.000 0.225 232 D C 0.383 176.651 176.300 -0.053 0.000 1.158 232 D CA 0.894 54.830 54.000 -0.108 0.000 0.805 232 D CB -1.154 39.593 40.800 -0.088 0.000 1.098 232 D HN 0.593 nan 8.370 nan 0.000 0.426 233 E N 0.193 120.378 120.200 -0.025 0.000 2.283 233 E HA 0.351 4.701 4.350 0.001 0.000 0.267 233 E C 0.241 176.854 176.600 0.021 0.000 1.045 233 E CA -0.701 55.700 56.400 0.002 0.000 0.884 233 E CB 0.975 30.682 29.700 0.012 0.000 1.106 233 E HN 0.242 nan 8.360 nan 0.000 0.408 234 E N 1.734 121.948 120.200 0.023 0.000 2.338 234 E HA 0.089 4.440 4.350 0.001 0.000 0.272 234 E C -0.723 175.903 176.600 0.044 0.000 1.029 234 E CA -0.398 56.023 56.400 0.035 0.000 0.872 234 E CB 0.535 30.251 29.700 0.026 0.000 1.015 234 E HN 0.249 nan 8.360 nan 0.000 0.417 235 I N 4.606 125.209 120.570 0.055 0.000 2.330 235 I HA 0.063 4.234 4.170 0.001 0.000 0.286 235 I C 0.545 176.688 176.117 0.043 0.000 1.025 235 I CA -0.325 61.005 61.300 0.051 0.000 1.197 235 I CB 0.412 38.448 38.000 0.060 0.000 1.358 235 I HN 0.513 nan 8.210 nan 0.000 0.467 236 S N 5.493 121.215 115.700 0.037 0.000 2.587 236 S HA 0.209 4.680 4.470 0.001 0.000 0.260 236 S C 1.395 176.021 174.600 0.043 0.000 1.353 236 S CA -0.594 57.629 58.200 0.037 0.000 0.995 236 S CB 1.343 64.562 63.200 0.032 0.000 0.912 236 S HN 0.350 nan 8.310 nan 0.000 0.568 237 V N 2.094 122.036 119.914 0.047 0.000 2.287 237 V HA -0.191 3.930 4.120 0.001 0.000 0.248 237 V C 3.029 179.161 176.094 0.063 0.000 1.053 237 V CA 2.448 64.784 62.300 0.059 0.000 1.027 237 V CB -1.684 30.175 31.823 0.060 0.000 0.646 237 V HN 1.078 nan 8.190 nan 0.000 0.447 238 S N -0.374 115.357 115.700 0.052 0.000 2.383 238 S HA -0.208 4.262 4.470 0.001 0.000 0.227 238 S C 1.799 176.430 174.600 0.051 0.000 1.026 238 S CA 1.465 59.696 58.200 0.053 0.000 0.981 238 S CB -0.458 62.767 63.200 0.042 0.000 0.818 238 S HN 0.693 nan 8.310 nan 0.000 0.472 239 E N 0.865 121.089 120.200 0.041 0.000 2.058 239 E HA -0.116 4.234 4.350 0.001 0.000 0.194 239 E C 2.040 178.656 176.600 0.027 0.000 0.997 239 E CA 1.331 57.750 56.400 0.031 0.000 0.801 239 E CB -0.324 29.391 29.700 0.026 0.000 0.746 239 E HN 0.411 nan 8.360 nan 0.000 0.450 240 L N 1.634 122.876 121.223 0.031 0.000 2.046 240 L HA -0.174 4.166 4.340 0.001 0.000 0.208 240 L C 1.808 178.705 176.870 0.045 0.000 1.077 240 L CA 1.827 56.675 54.840 0.014 0.000 0.747 240 L CB -0.183 41.887 42.059 0.018 0.000 0.896 240 L HN -0.068 nan 8.230 nan 0.000 0.432 241 K N -0.583 119.887 120.400 0.116 0.000 2.057 241 K HA -0.233 4.088 4.320 0.001 0.000 0.207 241 K C 2.070 178.795 176.600 0.209 0.000 1.049 241 K CA 1.692 58.123 56.287 0.241 0.000 0.931 241 K CB -0.240 32.389 32.500 0.216 0.000 0.714 241 K HN 0.451 nan 8.250 nan 0.000 0.440 242 E N 0.713 120.981 120.200 0.114 0.000 2.085 242 E HA -0.216 4.135 4.350 0.001 0.000 0.194 242 E C 1.952 178.583 176.600 0.051 0.000 0.994 242 E CA 1.191 57.641 56.400 0.083 0.000 0.801 242 E CB -0.029 29.703 29.700 0.053 0.000 0.743 242 E HN 0.338 nan 8.360 nan 0.000 0.453 243 A N 0.727 123.551 122.820 0.007 0.000 1.930 243 A HA -0.118 4.203 4.320 0.001 0.000 0.217 243 A C 2.124 179.645 177.584 -0.105 0.000 1.175 243 A CA 0.996 53.001 52.037 -0.052 0.000 0.627 243 A CB -0.478 18.471 19.000 -0.084 0.000 0.815 243 A HN 0.296 nan 8.150 nan 0.000 0.443 244 I N -0.999 119.495 120.570 -0.126 0.000 2.179 244 I HA -0.254 3.917 4.170 0.001 0.000 0.242 244 I C 2.717 178.795 176.117 -0.064 0.000 1.088 244 I CA 1.676 62.831 61.300 -0.241 0.000 1.357 244 I CB -0.311 37.430 38.000 -0.431 0.000 1.051 244 I HN 0.374 nan 8.210 nan 0.000 0.409 245 R N 0.774 121.350 120.500 0.127 0.000 2.083 245 R HA -0.253 4.088 4.340 0.001 0.000 0.237 245 R C 2.380 178.742 176.300 0.103 0.000 1.137 245 R CA 1.882 58.117 56.100 0.226 0.000 0.951 245 R CB -0.285 30.165 30.300 0.251 0.000 0.851 245 R HN 0.382 nan 8.270 nan 0.000 0.434 246 Q N -0.360 119.472 119.800 0.054 0.000 2.030 246 Q HA -0.190 4.150 4.340 0.001 0.000 0.204 246 Q C 1.953 177.958 176.000 0.008 0.000 0.986 246 Q CA 1.989 57.807 55.803 0.025 0.000 0.843 246 Q CB -0.162 28.580 28.738 0.007 0.000 0.904 246 Q HN 0.499 nan 8.270 nan 0.000 0.420 247 A N -0.232 122.579 122.820 -0.016 0.000 1.930 247 A HA -0.153 4.167 4.320 0.001 0.000 0.217 247 A C 2.188 179.784 177.584 0.021 0.000 1.175 247 A CA 1.864 53.893 52.037 -0.014 0.000 0.627 247 A CB -0.838 18.118 19.000 -0.075 0.000 0.815 247 A HN 0.482 nan 8.150 nan 0.000 0.443 248 T N 0.247 114.837 114.554 0.061 0.000 2.737 248 T HA -0.135 4.215 4.350 0.001 0.000 0.265 248 T C 2.127 176.825 174.700 -0.002 0.000 1.038 248 T CA 2.136 64.258 62.100 0.037 0.000 1.144 248 T CB -0.689 68.244 68.868 0.108 0.000 0.866 248 T HN 0.797 nan 8.240 nan 0.000 0.434 249 T N 0.339 114.912 114.554 0.032 0.000 3.055 249 T HA 0.019 4.370 4.350 0.001 0.000 0.265 249 T C 1.620 176.321 174.700 0.002 0.000 1.111 249 T CA 0.573 62.689 62.100 0.026 0.000 1.118 249 T CB -0.252 68.645 68.868 0.049 0.000 0.909 249 T HN 0.126 nan 8.240 nan 0.000 0.501 250 N N 1.074 119.768 118.700 -0.010 0.000 2.461 250 N HA 0.127 4.868 4.740 0.001 0.000 0.188 250 N C 0.568 176.049 175.510 -0.048 0.000 1.134 250 N CA 0.152 53.190 53.050 -0.020 0.000 0.878 250 N CB 0.116 38.593 38.487 -0.015 0.000 0.972 250 N HN 0.320 nan 8.380 nan 0.000 0.456 251 V N 0.237 120.096 119.914 -0.093 0.000 5.117 251 V HA -0.260 3.861 4.120 0.001 0.000 0.285 251 V C 0.810 176.783 176.094 -0.201 0.000 0.490 251 V CA 1.112 63.311 62.300 -0.168 0.000 0.728 251 V CB -2.252 29.533 31.823 -0.063 0.000 0.597 251 V HN 0.420 nan 8.190 nan 0.000 1.265 252 E N -1.402 118.687 120.200 -0.186 0.000 2.511 252 E HA 0.410 4.761 4.350 0.001 0.000 0.209 252 E C 0.002 176.548 176.600 -0.091 0.000 0.986 252 E CA 0.124 56.462 56.400 -0.103 0.000 0.974 252 E CB 0.907 30.591 29.700 -0.026 0.000 1.030 252 E HN 0.640 nan 8.360 nan 0.000 0.490 253 F N 0.098 119.763 119.950 -0.475 0.000 2.641 253 F HA 0.357 4.885 4.527 0.001 0.000 0.308 253 F C -2.007 173.447 175.800 -0.578 0.000 1.105 253 F CA -1.033 56.736 58.000 -0.385 0.000 0.964 253 F CB 1.283 40.169 39.000 -0.191 0.000 1.294 253 F HN -0.239 nan 8.300 nan 0.000 0.442 254 Y N 4.721 124.435 120.300 -0.975 0.000 2.426 254 Y HA 0.446 4.997 4.550 0.001 0.000 0.325 254 Y C -2.529 172.840 175.900 -0.886 0.000 0.989 254 Y CA -2.833 54.901 58.100 -0.610 0.000 1.284 254 Y CB 0.960 39.359 38.460 -0.103 0.000 1.104 254 Y HN 0.298 nan 8.280 nan 0.000 0.481 255 P HA 0.017 nan 4.420 nan 0.000 0.265 255 P C -0.588 176.738 177.300 0.045 0.000 1.193 255 P CA 0.156 63.209 63.100 -0.078 0.000 0.765 255 P CB 0.861 32.606 31.700 0.075 0.000 0.823 256 V N 5.034 125.012 119.914 0.108 0.000 2.417 256 V HA 0.393 4.513 4.120 0.001 0.000 0.291 256 V C 0.261 176.532 176.094 0.296 0.000 1.024 256 V CA -0.350 62.051 62.300 0.169 0.000 0.861 256 V CB 1.200 33.071 31.823 0.081 0.000 0.985 256 V HN 0.331 nan 8.190 nan 0.000 0.436 257 L N 4.266 125.674 121.223 0.309 0.000 2.257 257 L HA 0.920 5.260 4.340 0.001 0.000 0.257 257 L C -0.096 176.918 176.870 0.240 0.000 1.033 257 L CA -0.205 54.816 54.840 0.302 0.000 0.835 257 L CB 2.097 44.368 42.059 0.353 0.000 1.398 257 L HN 0.957 nan 8.230 nan 0.000 0.429 258 C N -1.727 117.623 119.300 0.082 0.000 3.291 258 C HA 1.058 5.519 4.460 0.001 0.000 0.316 258 C C -0.077 174.791 174.990 -0.203 0.000 1.391 258 C CA -0.002 58.888 59.018 -0.214 0.000 1.394 258 C CB 1.170 28.665 27.740 -0.408 0.000 1.744 258 C HN 1.271 nan 8.230 nan 0.000 0.461 259 G N -0.100 108.411 108.800 -0.482 0.000 2.336 259 G HA2 0.583 4.544 3.960 0.001 0.000 0.286 259 G HA3 0.583 4.544 3.960 0.001 0.000 0.286 259 G C -1.065 173.692 174.900 -0.239 0.000 1.269 259 G CA 0.407 45.417 45.100 -0.150 0.000 0.873 259 G HN 1.901 nan 8.290 nan 0.000 0.494 260 T N -1.083 113.518 114.554 0.078 0.000 3.031 260 T HA 0.639 4.990 4.350 0.001 0.000 0.305 260 T C 1.094 175.915 174.700 0.202 0.000 0.985 260 T CA 0.953 63.107 62.100 0.091 0.000 1.008 260 T CB 0.998 69.929 68.868 0.105 0.000 1.005 260 T HN 1.779 nan 8.240 nan 0.000 0.444 261 A N 4.505 127.486 122.820 0.268 0.000 1.873 261 A HA 0.120 4.441 4.320 0.001 0.000 0.215 261 A C 1.755 179.470 177.584 0.218 0.000 1.186 261 A CA 1.118 53.312 52.037 0.261 0.000 0.616 261 A CB -0.927 18.235 19.000 0.270 0.000 0.823 261 A HN 0.857 nan 8.150 nan 0.000 0.442 262 F N 0.591 120.578 119.950 0.061 0.000 2.126 262 F HA -0.097 4.431 4.527 0.001 0.000 0.299 262 F C 1.541 177.355 175.800 0.023 0.000 1.096 262 F CA 1.880 59.897 58.000 0.028 0.000 1.255 262 F CB -0.049 38.960 39.000 0.016 0.000 0.997 262 F HN 0.114 nan 8.300 nan 0.000 0.479 263 K N 0.431 120.805 120.400 -0.044 0.000 2.493 263 K HA 0.094 4.415 4.320 0.001 0.000 0.207 263 K C -0.201 176.361 176.600 -0.063 0.000 1.033 263 K CA -0.006 56.197 56.287 -0.140 0.000 1.161 263 K CB -0.299 32.176 32.500 -0.042 0.000 0.873 263 K HN 0.188 nan 8.250 nan 0.000 0.491 264 N N 2.365 121.059 118.700 -0.009 0.000 2.714 264 N HA -0.189 4.552 4.740 0.001 0.000 0.253 264 N C -1.311 174.176 175.510 -0.038 0.000 1.024 264 N CA 1.169 54.249 53.050 0.050 0.000 0.726 264 N CB -0.730 37.812 38.487 0.093 0.000 0.908 264 N HN 0.341 nan 8.380 nan 0.000 0.542 265 K N -0.135 120.189 120.400 -0.127 0.000 2.463 265 K HA 0.491 4.811 4.320 0.001 0.000 0.255 265 K C 0.994 177.476 176.600 -0.198 0.000 0.942 265 K CA -0.011 55.949 56.287 -0.545 0.000 0.814 265 K CB 1.864 33.863 32.500 -0.834 0.000 1.122 265 K HN 0.200 nan 8.250 nan 0.000 0.425 266 G N 0.906 109.630 108.800 -0.128 0.000 2.175 266 G HA2 -0.266 3.695 3.960 0.001 0.000 0.244 266 G HA3 -0.266 3.695 3.960 0.001 0.000 0.244 266 G C 0.733 175.666 174.900 0.055 0.000 0.982 266 G CA 0.265 45.451 45.100 0.142 0.000 0.641 266 G HN 0.388 nan 8.290 nan 0.000 0.527 267 V N 0.511 120.368 119.914 -0.095 0.000 2.453 267 V HA -0.155 3.965 4.120 0.001 0.000 0.247 267 V C 2.775 178.568 176.094 -0.502 0.000 1.048 267 V CA 2.744 64.844 62.300 -0.334 0.000 1.049 267 V CB -0.449 31.205 31.823 -0.281 0.000 0.672 267 V HN 0.571 nan 8.190 nan 0.000 0.457 268 Q N -0.153 119.363 119.800 -0.474 0.000 2.079 268 Q HA -0.121 4.220 4.340 0.001 0.000 0.200 268 Q C 2.311 178.196 176.000 -0.192 0.000 0.974 268 Q CA 1.457 57.023 55.803 -0.395 0.000 0.840 268 Q CB -0.259 28.369 28.738 -0.183 0.000 0.898 268 Q HN 0.527 nan 8.270 nan 0.000 0.430 269 L N 0.297 121.452 121.223 -0.113 0.000 2.131 269 L HA -0.171 4.169 4.340 0.001 0.000 0.210 269 L C 2.571 179.410 176.870 -0.052 0.000 1.092 269 L CA 0.662 55.477 54.840 -0.042 0.000 0.759 269 L CB -0.442 41.641 42.059 0.040 0.000 0.903 269 L HN 0.397 nan 8.230 nan 0.000 0.435 270 M N 0.005 119.522 119.600 -0.139 0.000 2.175 270 M HA -0.178 4.302 4.480 0.001 0.000 0.264 270 M C 2.208 178.348 176.300 -0.267 0.000 1.063 270 M CA 1.872 57.052 55.300 -0.201 0.000 1.119 270 M CB -0.323 31.994 32.600 -0.472 0.000 1.377 270 M HN 0.249 nan 8.290 nan 0.000 0.415 271 L N -0.021 120.938 121.223 -0.439 0.000 2.093 271 L HA -0.226 4.114 4.340 0.001 0.000 0.208 271 L C 1.986 178.691 176.870 -0.275 0.000 1.085 271 L CA 1.083 55.556 54.840 -0.611 0.000 0.755 271 L CB -0.901 40.271 42.059 -1.479 0.000 0.904 271 L HN 0.220 nan 8.230 nan 0.000 0.435 272 D N 0.325 120.710 120.400 -0.026 0.000 2.149 272 D HA -0.172 4.468 4.640 0.001 0.000 0.198 272 D C 2.177 178.428 176.300 -0.082 0.000 0.990 272 D CA 1.493 55.548 54.000 0.092 0.000 0.839 272 D CB 0.029 40.875 40.800 0.076 0.000 0.948 272 D HN 0.324 nan 8.370 nan 0.000 0.460 273 A N 0.322 123.094 122.820 -0.080 0.000 1.968 273 A HA -0.068 4.252 4.320 0.001 0.000 0.217 273 A C 2.481 180.022 177.584 -0.070 0.000 1.169 273 A CA 0.687 52.682 52.037 -0.071 0.000 0.638 273 A CB -0.500 18.588 19.000 0.147 0.000 0.812 273 A HN 0.126 nan 8.150 nan 0.000 0.446 274 V N 0.577 120.442 119.914 -0.081 0.000 2.287 274 V HA -0.274 3.846 4.120 0.001 0.000 0.248 274 V C 2.427 178.458 176.094 -0.104 0.000 1.053 274 V CA 1.950 64.205 62.300 -0.075 0.000 1.027 274 V CB -0.676 31.075 31.823 -0.119 0.000 0.646 274 V HN 0.506 nan 8.190 nan 0.000 0.447 275 I N 0.214 120.686 120.570 -0.163 0.000 2.142 275 I HA -0.176 3.995 4.170 0.001 0.000 0.240 275 I C 2.306 178.267 176.117 -0.261 0.000 1.078 275 I CA 1.480 62.607 61.300 -0.289 0.000 1.343 275 I CB -1.483 36.286 38.000 -0.385 0.000 1.046 275 I HN 0.328 nan 8.210 nan 0.000 0.405 276 D N -0.288 119.897 120.400 -0.359 0.000 2.117 276 D HA -0.198 4.443 4.640 0.001 0.000 0.197 276 D C 1.889 177.906 176.300 -0.470 0.000 0.987 276 D CA 1.706 55.353 54.000 -0.587 0.000 0.829 276 D CB -0.036 40.072 40.800 -1.154 0.000 0.961 276 D HN 0.406 nan 8.370 nan 0.000 0.460 277 Y N -0.709 119.611 120.300 0.034 0.000 2.423 277 Y HA 0.343 4.894 4.550 0.001 0.000 0.257 277 Y C 0.889 176.813 175.900 0.041 0.000 1.087 277 Y CA -0.464 57.668 58.100 0.053 0.000 1.258 277 Y CB 0.330 38.842 38.460 0.087 0.000 1.237 277 Y HN -0.191 nan 8.280 nan 0.000 0.517 278 L N 3.664 124.965 121.223 0.129 0.000 2.399 278 L HA 0.356 4.696 4.340 0.001 0.000 0.266 278 L C -2.160 174.747 176.870 0.063 0.000 1.114 278 L CA -1.900 52.990 54.840 0.084 0.000 0.804 278 L CB 1.118 43.205 42.059 0.046 0.000 1.146 278 L HN -0.170 nan 8.230 nan 0.000 0.451 279 P HA 0.099 nan 4.420 nan 0.000 0.277 279 P C -0.706 176.625 177.300 0.051 0.000 1.240 279 P CA -0.437 62.695 63.100 0.054 0.000 0.798 279 P CB 1.355 33.082 31.700 0.045 0.000 0.979 280 S N 2.007 117.744 115.700 0.061 0.000 2.634 280 S HA 0.281 4.751 4.470 0.001 0.000 0.261 280 S C -1.690 172.941 174.600 0.052 0.000 1.271 280 S CA -1.009 57.228 58.200 0.060 0.000 0.985 280 S CB -0.299 62.942 63.200 0.068 0.000 0.968 280 S HN 0.230 nan 8.310 nan 0.000 0.568 281 P HA 0.071 nan 4.420 nan 0.000 0.222 281 P C 1.051 178.391 177.300 0.067 0.000 1.147 281 P CA 0.836 63.970 63.100 0.056 0.000 0.790 281 P CB -0.077 31.654 31.700 0.052 0.000 0.780 282 L N -0.974 120.285 121.223 0.060 0.000 2.418 282 L HA -0.017 4.323 4.340 0.001 0.000 0.218 282 L C 1.324 178.225 176.870 0.051 0.000 1.125 282 L CA 0.934 55.808 54.840 0.057 0.000 0.835 282 L CB -0.507 41.584 42.059 0.052 0.000 0.953 282 L HN -0.084 nan 8.230 nan 0.000 0.454 283 D N -0.788 119.642 120.400 0.050 0.000 2.349 283 D HA 0.043 4.684 4.640 0.001 0.000 0.224 283 D C 0.505 176.829 176.300 0.041 0.000 1.029 283 D CA 0.484 54.512 54.000 0.045 0.000 0.879 283 D CB 0.739 41.569 40.800 0.050 0.000 0.906 283 D HN 0.046 nan 8.370 nan 0.000 0.528 284 V N 0.072 120.013 119.914 0.045 0.000 3.166 284 V HA 0.231 4.351 4.120 0.001 0.000 0.317 284 V C -0.562 175.557 176.094 0.042 0.000 1.136 284 V CA -0.950 61.375 62.300 0.042 0.000 1.035 284 V CB 2.382 34.233 31.823 0.046 0.000 1.110 284 V HN -0.247 nan 8.190 nan 0.000 0.450 285 K N 3.724 124.144 120.400 0.033 0.000 2.448 285 K HA 0.263 4.584 4.320 0.001 0.000 0.278 285 K C -2.268 174.352 176.600 0.033 0.000 1.009 285 K CA -0.944 55.357 56.287 0.024 0.000 0.995 285 K CB 0.283 32.787 32.500 0.007 0.000 0.917 285 K HN 0.550 nan 8.250 nan 0.000 0.481 286 P HA 0.068 nan 4.420 nan 0.000 0.272 286 P C -0.008 177.281 177.300 -0.018 0.000 1.230 286 P CA -0.271 62.844 63.100 0.026 0.000 0.788 286 P CB 0.638 32.350 31.700 0.020 0.000 0.949 287 I N 1.561 122.087 120.570 -0.074 0.000 2.692 287 I HA 0.082 4.253 4.170 0.001 0.000 0.284 287 I C 0.069 176.096 176.117 -0.151 0.000 1.159 287 I CA -0.262 60.921 61.300 -0.195 0.000 1.423 287 I CB 0.182 37.834 38.000 -0.580 0.000 1.380 287 I HN 0.168 nan 8.210 nan 0.000 0.580 288 I N 7.085 127.581 120.570 -0.124 0.000 2.378 288 I HA 0.496 4.666 4.170 0.001 0.000 0.291 288 I C 0.490 176.551 176.117 -0.094 0.000 0.992 288 I CA -0.114 61.136 61.300 -0.084 0.000 1.154 288 I CB 1.461 39.431 38.000 -0.050 0.000 1.315 288 I HN 0.656 nan 8.210 nan 0.000 0.448 289 G N 4.507 113.252 108.800 -0.091 0.000 3.222 289 G HA2 0.682 4.642 3.960 0.001 0.000 0.263 289 G HA3 0.682 4.642 3.960 0.001 0.000 0.263 289 G C -1.245 173.625 174.900 -0.051 0.000 1.312 289 G CA -0.313 44.711 45.100 -0.126 0.000 0.934 289 G HN 0.703 nan 8.290 nan 0.000 0.577 290 H N -1.336 117.703 119.070 -0.051 0.000 2.990 290 H HA 0.514 5.071 4.556 0.001 0.000 0.336 290 H C -1.065 174.242 175.328 -0.034 0.000 1.306 290 H CA -0.950 55.073 56.048 -0.042 0.000 1.118 290 H CB 1.212 30.947 29.762 -0.045 0.000 1.856 290 H HN 0.400 nan 8.280 nan 0.000 0.538 291 R N 0.112 120.698 120.500 0.142 0.000 2.390 291 R HA 0.363 4.704 4.340 0.001 0.000 0.291 291 R C 0.969 177.381 176.300 0.187 0.000 1.070 291 R CA 0.301 56.453 56.100 0.086 0.000 1.014 291 R CB 1.389 31.721 30.300 0.054 0.000 1.007 291 R HN 0.767 nan 8.270 nan 0.000 0.466 292 A N 2.005 124.880 122.820 0.091 0.000 1.908 292 A HA -0.211 4.110 4.320 0.001 0.000 0.218 292 A C 2.051 179.679 177.584 0.074 0.000 1.181 292 A CA 2.157 54.252 52.037 0.098 0.000 0.627 292 A CB -0.495 18.528 19.000 0.039 0.000 0.818 292 A HN 0.818 nan 8.150 nan 0.000 0.445 293 S N -1.126 114.603 115.700 0.049 0.000 2.515 293 S HA -0.029 4.441 4.470 0.001 0.000 0.231 293 S C 0.579 175.193 174.600 0.024 0.000 0.987 293 S CA 0.930 59.147 58.200 0.029 0.000 0.936 293 S CB -0.225 62.987 63.200 0.020 0.000 0.766 293 S HN 0.524 nan 8.310 nan 0.000 0.528 294 N N 0.648 119.371 118.700 0.038 0.000 2.793 294 N HA 0.365 5.105 4.740 0.001 0.000 0.251 294 N C -3.044 172.464 175.510 -0.003 0.000 1.308 294 N CA -1.648 51.408 53.050 0.010 0.000 0.781 294 N CB 1.502 39.993 38.487 0.007 0.000 1.439 294 N HN -0.161 nan 8.380 nan 0.000 0.562 295 P HA 0.023 nan 4.420 nan 0.000 0.228 295 P C 0.434 177.576 177.300 -0.263 0.000 1.151 295 P CA 0.952 63.848 63.100 -0.339 0.000 0.770 295 P CB 0.507 31.931 31.700 -0.460 0.000 0.786 296 E N -0.831 119.293 120.200 -0.127 0.000 2.435 296 E HA -0.025 4.325 4.350 0.001 0.000 0.195 296 E C 0.699 177.278 176.600 -0.035 0.000 1.029 296 E CA 0.166 56.516 56.400 -0.084 0.000 0.865 296 E CB -0.026 29.635 29.700 -0.065 0.000 0.833 296 E HN 0.240 nan 8.360 nan 0.000 0.510 297 E N 1.889 122.085 120.200 -0.007 0.000 2.129 297 E HA 0.008 4.358 4.350 0.001 0.000 0.283 297 E C -0.688 175.937 176.600 0.042 0.000 1.080 297 E CA -0.026 56.383 56.400 0.015 0.000 0.867 297 E CB 0.530 30.241 29.700 0.018 0.000 1.056 297 E HN 0.169 nan 8.360 nan 0.000 0.404 298 E N 2.549 122.764 120.200 0.025 0.000 2.373 298 E HA 0.151 4.501 4.350 0.001 0.000 0.267 298 E C -1.002 175.607 176.600 0.015 0.000 1.032 298 E CA -0.232 56.184 56.400 0.026 0.000 0.889 298 E CB 1.014 30.717 29.700 0.006 0.000 0.984 298 E HN 0.174 nan 8.360 nan 0.000 0.425 299 V N 5.830 125.747 119.914 0.005 0.000 2.588 299 V HA 0.374 4.494 4.120 0.001 0.000 0.304 299 V C -0.164 175.913 176.094 -0.028 0.000 1.042 299 V CA -0.693 61.599 62.300 -0.013 0.000 0.877 299 V CB 1.630 33.438 31.823 -0.026 0.000 0.996 299 V HN 0.578 nan 8.190 nan 0.000 0.425 300 I N 3.569 124.127 120.570 -0.020 0.000 2.336 300 I HA 0.668 4.839 4.170 0.001 0.000 0.292 300 I C 0.441 176.548 176.117 -0.018 0.000 0.991 300 I CA -0.379 60.907 61.300 -0.023 0.000 1.227 300 I CB 1.759 39.755 38.000 -0.008 0.000 1.366 300 I HN 0.730 nan 8.210 nan 0.000 0.466 301 A N 7.420 130.221 122.820 -0.032 0.000 2.394 301 A HA 0.434 4.755 4.320 0.001 0.000 0.333 301 A C -0.259 177.358 177.584 0.055 0.000 1.397 301 A CA -0.551 51.487 52.037 0.002 0.000 0.884 301 A CB 0.274 19.256 19.000 -0.031 0.000 1.147 301 A HN 0.724 nan 8.150 nan 0.000 0.505 302 K N 2.186 122.626 120.400 0.067 0.000 2.095 302 K HA 0.682 5.003 4.320 0.001 0.000 0.252 302 K C 0.228 176.894 176.600 0.111 0.000 0.977 302 K CA -0.519 55.819 56.287 0.085 0.000 0.900 302 K CB 1.270 33.805 32.500 0.058 0.000 1.060 302 K HN 0.672 nan 8.250 nan 0.000 0.449 303 A N 2.980 125.870 122.820 0.116 0.000 2.515 303 A HA 0.106 4.426 4.320 0.001 0.000 0.263 303 A C -0.669 176.974 177.584 0.099 0.000 1.096 303 A CA 0.522 52.627 52.037 0.114 0.000 0.769 303 A CB -0.251 18.809 19.000 0.099 0.000 1.040 303 A HN 0.724 nan 8.150 nan 0.000 0.505 304 D N 2.024 122.490 120.400 0.111 0.000 2.369 304 D HA 0.120 4.761 4.640 0.001 0.000 0.212 304 D C -0.302 176.071 176.300 0.121 0.000 1.326 304 D CA -0.460 53.600 54.000 0.099 0.000 0.933 304 D CB 0.707 41.557 40.800 0.082 0.000 1.516 304 D HN 0.327 nan 8.370 nan 0.000 0.557 305 D N 1.034 121.513 120.400 0.131 0.000 2.219 305 D HA -0.060 4.580 4.640 0.001 0.000 0.205 305 D C 1.317 177.698 176.300 0.136 0.000 0.970 305 D CA 0.767 54.869 54.000 0.170 0.000 0.851 305 D CB 0.337 41.265 40.800 0.213 0.000 0.943 305 D HN 0.281 nan 8.370 nan 0.000 0.488 306 S N 0.153 115.915 115.700 0.103 0.000 2.607 306 S HA 0.200 4.670 4.470 0.001 0.000 0.224 306 S C 0.966 175.614 174.600 0.080 0.000 0.969 306 S CA -0.102 58.148 58.200 0.083 0.000 0.927 306 S CB 0.289 63.528 63.200 0.064 0.000 0.772 306 S HN 0.298 nan 8.310 nan 0.000 0.533 307 A N 1.447 124.323 122.820 0.093 0.000 2.257 307 A HA 0.564 4.885 4.320 0.001 0.000 0.290 307 A C 0.017 177.662 177.584 0.103 0.000 1.201 307 A CA -0.636 51.453 52.037 0.086 0.000 0.863 307 A CB 0.167 19.216 19.000 0.081 0.000 1.256 307 A HN 0.236 nan 8.150 nan 0.000 0.506 308 E N -0.408 119.847 120.200 0.092 0.000 2.392 308 E HA 0.325 4.675 4.350 0.001 0.000 0.264 308 E C -0.545 176.149 176.600 0.156 0.000 1.024 308 E CA 0.091 56.556 56.400 0.109 0.000 0.903 308 E CB 0.221 29.964 29.700 0.070 0.000 0.963 308 E HN 0.394 nan 8.360 nan 0.000 0.432 309 F N 2.245 122.215 119.950 0.033 0.000 2.529 309 F HA 0.397 4.924 4.527 0.001 0.000 0.365 309 F C -0.204 175.624 175.800 0.046 0.000 1.102 309 F CA -0.467 57.556 58.000 0.038 0.000 1.271 309 F CB 0.299 39.305 39.000 0.011 0.000 1.120 309 F HN 0.365 nan 8.300 nan 0.000 0.579 310 A N 4.832 127.253 122.820 -0.666 0.000 2.513 310 A HA 0.866 5.186 4.320 0.001 0.000 0.296 310 A C -1.650 175.613 177.584 -0.535 0.000 1.052 310 A CA -0.063 51.620 52.037 -0.590 0.000 0.714 310 A CB 0.849 19.741 19.000 -0.180 0.000 1.279 310 A HN 1.606 nan 8.150 nan 0.000 0.397 311 A N 0.930 123.467 122.820 -0.473 0.000 2.587 311 A HA 0.847 5.168 4.320 0.001 0.000 0.293 311 A C -1.845 175.804 177.584 0.109 0.000 1.087 311 A CA -0.492 51.510 52.037 -0.058 0.000 0.692 311 A CB 1.470 20.429 19.000 -0.069 0.000 1.291 311 A HN 1.973 nan 8.150 nan 0.000 0.407 312 L N 1.097 122.521 121.223 0.335 0.000 2.362 312 L HA 0.805 5.146 4.340 0.001 0.000 0.275 312 L C 0.258 177.362 176.870 0.391 0.000 0.998 312 L CA -0.165 54.864 54.840 0.314 0.000 0.820 312 L CB 1.517 43.805 42.059 0.382 0.000 1.270 312 L HN 1.097 nan 8.230 nan 0.000 0.415 313 A N 4.365 127.354 122.820 0.281 0.000 2.409 313 A HA 0.456 4.776 4.320 0.001 0.000 0.262 313 A C -0.031 177.725 177.584 0.287 0.000 1.113 313 A CA 0.005 52.202 52.037 0.266 0.000 0.790 313 A CB -0.322 18.770 19.000 0.154 0.000 1.046 313 A HN 0.887 nan 8.150 nan 0.000 0.496 314 F N 0.200 120.265 119.950 0.192 0.000 2.798 314 F HA 0.661 5.189 4.527 0.001 0.000 0.328 314 F C -0.038 175.826 175.800 0.108 0.000 1.098 314 F CA -0.598 57.478 58.000 0.126 0.000 1.172 314 F CB 0.320 39.376 39.000 0.092 0.000 1.072 314 F HN 0.381 nan 8.300 nan 0.000 0.555 315 K N 0.894 121.163 120.400 -0.219 0.000 2.572 315 K HA 0.657 4.978 4.320 0.001 0.000 0.263 315 K C -2.064 174.563 176.600 0.047 0.000 0.932 315 K CA -0.494 55.739 56.287 -0.091 0.000 0.838 315 K CB 2.558 34.906 32.500 -0.254 0.000 1.366 315 K HN -0.056 nan 8.250 nan 0.000 0.425 316 V N 4.417 124.385 119.914 0.090 0.000 2.531 316 V HA 0.606 4.726 4.120 0.001 0.000 0.301 316 V C -0.692 175.480 176.094 0.131 0.000 1.034 316 V CA -0.669 61.704 62.300 0.122 0.000 0.865 316 V CB 1.642 33.522 31.823 0.095 0.000 0.995 316 V HN 0.863 nan 8.190 nan 0.000 0.424 317 M N 3.047 122.746 119.600 0.166 0.000 2.602 317 M HA 0.610 5.090 4.480 0.001 0.000 0.312 317 M C -0.407 175.956 176.300 0.105 0.000 1.181 317 M CA 0.020 55.408 55.300 0.146 0.000 0.910 317 M CB 2.610 35.357 32.600 0.245 0.000 1.723 317 M HN 0.604 nan 8.290 nan 0.000 0.459 318 T N 1.857 116.458 114.554 0.078 0.000 2.809 318 T HA 0.269 4.620 4.350 0.001 0.000 0.296 318 T C -1.211 173.512 174.700 0.037 0.000 1.015 318 T CA -0.667 61.465 62.100 0.054 0.000 0.954 318 T CB 0.361 69.259 68.868 0.050 0.000 0.950 318 T HN 0.569 nan 8.240 nan 0.000 0.450 319 D N 4.249 124.671 120.400 0.037 0.000 2.210 319 D HA 0.196 4.837 4.640 0.001 0.000 0.249 319 D C -1.374 174.909 176.300 -0.028 0.000 1.078 319 D CA -2.312 51.707 54.000 0.032 0.000 0.875 319 D CB 2.189 43.034 40.800 0.075 0.000 1.175 319 D HN 0.126 nan 8.370 nan 0.000 0.440 320 P HA -0.149 nan 4.420 nan 0.000 0.218 320 P C 0.560 177.620 177.300 -0.401 0.000 1.146 320 P CA 1.264 64.176 63.100 -0.313 0.000 0.813 320 P CB 0.137 31.535 31.700 -0.505 0.000 0.778 321 Y N -0.764 119.543 120.300 0.012 0.000 2.422 321 Y HA 0.022 4.573 4.550 0.001 0.000 0.291 321 Y C 2.405 178.308 175.900 0.004 0.000 1.144 321 Y CA 0.544 58.648 58.100 0.008 0.000 1.208 321 Y CB -0.936 37.528 38.460 0.007 0.000 1.195 321 Y HN -0.240 nan 8.280 nan 0.000 0.535 322 V N -2.608 117.400 119.914 0.158 0.000 3.506 322 V HA 0.601 4.722 4.120 0.001 0.000 0.263 322 V C 1.162 177.282 176.094 0.043 0.000 1.203 322 V CA 0.545 62.895 62.300 0.084 0.000 1.133 322 V CB -0.506 31.354 31.823 0.061 0.000 0.802 322 V HN 0.513 nan 8.190 nan 0.000 0.459 323 G N 1.076 109.895 108.800 0.032 0.000 2.498 323 G HA2 -0.313 3.648 3.960 0.001 0.000 0.251 323 G HA3 -0.313 3.648 3.960 0.001 0.000 0.251 323 G C -0.058 174.854 174.900 0.020 0.000 1.170 323 G CA 0.269 45.379 45.100 0.017 0.000 0.944 323 G HN 0.823 nan 8.290 nan 0.000 0.567 324 K N 0.576 120.986 120.400 0.016 0.000 2.322 324 K HA 0.532 4.853 4.320 0.001 0.000 0.283 324 K C -0.216 176.383 176.600 -0.001 0.000 1.042 324 K CA -0.308 55.991 56.287 0.020 0.000 0.958 324 K CB 0.000 32.514 32.500 0.023 0.000 0.984 324 K HN 0.432 nan 8.250 nan 0.000 0.473 325 L N 4.195 125.418 121.223 -0.001 0.000 2.305 325 L HA 0.297 4.638 4.340 0.001 0.000 0.284 325 L C -0.544 176.290 176.870 -0.059 0.000 1.013 325 L CA -0.699 54.090 54.840 -0.086 0.000 0.819 325 L CB 2.033 44.014 42.059 -0.129 0.000 1.227 325 L HN 0.667 nan 8.230 nan 0.000 0.417 326 T N 3.070 117.574 114.554 -0.083 0.000 2.788 326 T HA 0.451 4.802 4.350 0.001 0.000 0.296 326 T C -0.291 174.386 174.700 -0.039 0.000 1.009 326 T CA -0.306 61.797 62.100 0.006 0.000 0.949 326 T CB 0.226 69.128 68.868 0.056 0.000 0.946 326 T HN 0.074 nan 8.240 nan 0.000 0.453 327 F N 4.428 124.267 119.950 -0.186 0.000 2.456 327 F HA 0.532 5.060 4.527 0.001 0.000 0.358 327 F C 0.274 175.844 175.800 -0.385 0.000 1.095 327 F CA -0.705 57.034 58.000 -0.435 0.000 1.216 327 F CB 0.430 38.921 39.000 -0.848 0.000 1.125 327 F HN 0.544 nan 8.300 nan 0.000 0.549 328 F N 0.914 120.855 119.950 -0.015 0.000 2.613 328 F HA 0.786 5.314 4.527 0.001 0.000 0.314 328 F C -0.984 175.034 175.800 0.363 0.000 1.075 328 F CA -1.658 56.454 58.000 0.187 0.000 0.945 328 F CB 1.551 40.630 39.000 0.132 0.000 1.310 328 F HN 0.315 nan 8.300 nan 0.000 0.467 329 R N 1.575 122.367 120.500 0.486 0.000 2.445 329 R HA 0.716 5.057 4.340 0.001 0.000 0.308 329 R C -2.110 174.216 176.300 0.044 0.000 0.961 329 R CA -0.605 55.569 56.100 0.124 0.000 0.862 329 R CB 1.718 31.942 30.300 -0.127 0.000 1.144 329 R HN 0.720 nan 8.270 nan 0.000 0.447 330 V N 6.513 126.455 119.914 0.046 0.000 2.432 330 V HA 0.179 4.299 4.120 0.001 0.000 0.271 330 V C 0.002 175.980 176.094 -0.193 0.000 1.046 330 V CA -0.136 62.216 62.300 0.086 0.000 0.945 330 V CB 0.816 32.820 31.823 0.301 0.000 0.992 330 V HN 0.844 nan 8.190 nan 0.000 0.471 331 Y N 2.285 122.629 120.300 0.073 0.000 2.396 331 Y HA 0.144 4.694 4.550 0.001 0.000 0.292 331 Y C 1.459 177.396 175.900 0.063 0.000 1.128 331 Y CA 0.756 58.886 58.100 0.051 0.000 1.194 331 Y CB 0.473 38.937 38.460 0.007 0.000 1.124 331 Y HN 0.727 nan 8.280 nan 0.000 0.543 332 S N -1.183 114.631 115.700 0.191 0.000 2.607 332 S HA 0.714 5.185 4.470 0.001 0.000 0.273 332 S C 0.078 174.804 174.600 0.210 0.000 1.148 332 S CA -0.389 57.910 58.200 0.165 0.000 0.833 332 S CB 1.709 64.984 63.200 0.125 0.000 1.130 332 S HN 0.834 nan 8.310 nan 0.000 0.470 333 G N 0.841 109.766 108.800 0.208 0.000 2.601 333 G HA2 0.209 4.170 3.960 0.001 0.000 0.252 333 G HA3 0.209 4.170 3.960 0.001 0.000 0.252 333 G C -0.062 174.996 174.900 0.264 0.000 1.294 333 G CA 0.449 45.697 45.100 0.246 0.000 0.912 333 G HN 2.482 nan 8.290 nan 0.000 0.574 334 T N -3.142 111.520 114.554 0.180 0.000 2.894 334 T HA 0.707 5.058 4.350 0.001 0.000 0.309 334 T C -0.354 174.158 174.700 -0.313 0.000 1.208 334 T CA 0.255 62.333 62.100 -0.036 0.000 1.016 334 T CB 2.077 70.843 68.868 -0.171 0.000 1.192 334 T HN 1.911 nan 8.240 nan 0.000 0.491 335 M N 1.729 121.049 119.600 -0.467 0.000 2.518 335 M HA 0.582 5.062 4.480 0.001 0.000 0.300 335 M C -1.712 174.363 176.300 -0.375 0.000 1.175 335 M CA -0.314 54.595 55.300 -0.652 0.000 0.890 335 M CB 2.461 34.374 32.600 -1.145 0.000 1.710 335 M HN 0.819 nan 8.290 nan 0.000 0.453 336 T N 2.334 116.706 114.554 -0.303 0.000 2.855 336 T HA 0.437 4.787 4.350 0.001 0.000 0.281 336 T C -0.116 174.485 174.700 -0.166 0.000 1.007 336 T CA -0.527 61.454 62.100 -0.199 0.000 1.009 336 T CB 1.461 70.234 68.868 -0.158 0.000 0.983 336 T HN 0.768 nan 8.240 nan 0.000 0.455 337 S N 1.445 117.075 115.700 -0.116 0.000 2.573 337 S HA 0.439 4.909 4.470 0.001 0.000 0.277 337 S C 1.368 175.900 174.600 -0.113 0.000 1.346 337 S CA 0.151 58.289 58.200 -0.103 0.000 1.034 337 S CB 0.148 63.309 63.200 -0.066 0.000 0.879 337 S HN 1.643 nan 8.310 nan 0.000 0.528 338 G N 0.810 109.530 108.800 -0.133 0.000 2.160 338 G HA2 -0.176 3.784 3.960 0.001 0.000 0.244 338 G HA3 -0.176 3.784 3.960 0.001 0.000 0.244 338 G C 0.083 174.876 174.900 -0.179 0.000 1.022 338 G CA 0.248 45.258 45.100 -0.150 0.000 0.741 338 G HN 1.869 nan 8.290 nan 0.000 0.508 339 S N -1.194 114.384 115.700 -0.202 0.000 2.638 339 S HA 0.805 5.276 4.470 0.001 0.000 0.302 339 S C -0.560 173.915 174.600 -0.209 0.000 1.096 339 S CA -1.108 56.997 58.200 -0.158 0.000 0.953 339 S CB 1.936 65.059 63.200 -0.127 0.000 1.107 339 S HN 0.404 nan 8.310 nan 0.000 0.503 340 Y N 0.643 120.904 120.300 -0.065 0.000 2.323 340 Y HA 0.556 5.107 4.550 0.001 0.000 0.331 340 Y C 0.659 176.530 175.900 -0.048 0.000 1.092 340 Y CA -0.383 57.688 58.100 -0.050 0.000 1.150 340 Y CB 1.562 40.003 38.460 -0.031 0.000 1.200 340 Y HN 0.744 nan 8.280 nan 0.000 0.472 341 V N 0.243 120.233 119.914 0.126 0.000 3.158 341 V HA 0.636 4.757 4.120 0.001 0.000 0.315 341 V C -1.031 175.130 176.094 0.113 0.000 1.148 341 V CA -1.514 60.851 62.300 0.108 0.000 1.042 341 V CB 2.031 33.916 31.823 0.105 0.000 1.101 341 V HN 0.670 nan 8.190 nan 0.000 0.448 342 K N 1.998 122.458 120.400 0.101 0.000 2.213 342 K HA 0.367 4.688 4.320 0.001 0.000 0.270 342 K C -0.479 176.150 176.600 0.048 0.000 1.002 342 K CA -0.540 55.786 56.287 0.065 0.000 0.868 342 K CB 0.959 33.487 32.500 0.047 0.000 1.093 342 K HN 0.884 nan 8.250 nan 0.000 0.454 343 N N 2.903 121.623 118.700 0.033 0.000 2.482 343 N HA -0.029 4.712 4.740 0.001 0.000 0.242 343 N C 0.476 175.991 175.510 0.009 0.000 1.100 343 N CA 0.025 53.084 53.050 0.016 0.000 0.946 343 N CB 0.914 39.411 38.487 0.016 0.000 1.227 343 N HN 0.690 nan 8.380 nan 0.000 0.508 344 S N 1.798 117.496 115.700 -0.004 0.000 2.423 344 S HA -0.108 4.362 4.470 0.001 0.000 0.231 344 S C 1.493 176.087 174.600 -0.010 0.000 1.014 344 S CA 1.103 59.296 58.200 -0.011 0.000 0.965 344 S CB -0.330 62.851 63.200 -0.032 0.000 0.785 344 S HN 0.482 nan 8.310 nan 0.000 0.495 345 T N 1.864 116.413 114.554 -0.010 0.000 2.777 345 T HA 0.043 4.394 4.350 0.001 0.000 0.266 345 T C 1.730 176.435 174.700 0.009 0.000 1.040 345 T CA 1.610 63.711 62.100 0.000 0.000 1.141 345 T CB -0.253 68.617 68.868 0.003 0.000 0.868 345 T HN 0.355 nan 8.240 nan 0.000 0.444 346 K N 0.297 120.702 120.400 0.010 0.000 2.305 346 K HA 0.277 4.598 4.320 0.001 0.000 0.199 346 K C 1.275 177.882 176.600 0.012 0.000 1.047 346 K CA 0.513 56.807 56.287 0.012 0.000 0.976 346 K CB -0.156 32.352 32.500 0.013 0.000 0.765 346 K HN 0.381 nan 8.250 nan 0.000 0.474 347 G N 1.251 110.058 108.800 0.011 0.000 2.225 347 G HA2 -0.287 3.674 3.960 0.001 0.000 0.264 347 G HA3 -0.287 3.674 3.960 0.001 0.000 0.264 347 G C -0.435 174.472 174.900 0.011 0.000 1.060 347 G CA 0.334 45.440 45.100 0.011 0.000 0.833 347 G HN 0.203 nan 8.290 nan 0.000 0.498 348 K N -0.653 119.756 120.400 0.016 0.000 2.469 348 K HA 0.444 4.765 4.320 0.001 0.000 0.254 348 K C 0.436 177.055 176.600 0.032 0.000 0.939 348 K CA -1.046 55.253 56.287 0.020 0.000 0.812 348 K CB 1.871 34.384 32.500 0.022 0.000 1.301 348 K HN 0.217 nan 8.250 nan 0.000 0.433 349 R N 1.430 121.954 120.500 0.041 0.000 2.531 349 R HA 0.231 4.571 4.340 0.001 0.000 0.273 349 R C -0.168 176.202 176.300 0.117 0.000 1.070 349 R CA -0.416 55.734 56.100 0.084 0.000 1.112 349 R CB 0.699 31.045 30.300 0.077 0.000 1.049 349 R HN 0.441 nan 8.270 nan 0.000 0.508 350 E N 1.841 122.125 120.200 0.140 0.000 2.272 350 E HA 0.209 4.560 4.350 0.001 0.000 0.269 350 E C -0.942 175.683 176.600 0.041 0.000 0.877 350 E CA -0.822 55.627 56.400 0.082 0.000 0.755 350 E CB 2.654 32.363 29.700 0.016 0.000 1.192 350 E HN 0.321 nan 8.360 nan 0.000 0.422 351 R N 1.869 122.306 120.500 -0.105 0.000 2.234 351 R HA 0.306 4.647 4.340 0.001 0.000 0.324 351 R C -0.618 175.539 176.300 -0.240 0.000 1.054 351 R CA -0.387 55.468 56.100 -0.408 0.000 0.912 351 R CB 0.681 30.637 30.300 -0.573 0.000 1.030 351 R HN 0.170 nan 8.270 nan 0.000 0.455 352 V N 5.420 125.190 119.914 -0.239 0.000 2.372 352 V HA 0.173 4.294 4.120 0.001 0.000 0.261 352 V C 1.141 177.140 176.094 -0.157 0.000 1.055 352 V CA 0.136 62.334 62.300 -0.170 0.000 0.930 352 V CB 1.044 32.762 31.823 -0.175 0.000 1.031 352 V HN 1.102 nan 8.190 nan 0.000 0.479 353 G N 4.879 113.608 108.800 -0.119 0.000 2.510 353 G HA2 0.100 4.060 3.960 0.001 0.000 0.212 353 G HA3 0.100 4.060 3.960 0.001 0.000 0.212 353 G C 0.664 175.521 174.900 -0.071 0.000 1.151 353 G CA -0.023 45.016 45.100 -0.102 0.000 0.817 353 G HN 0.520 nan 8.290 nan 0.000 0.534 354 R N -0.906 119.563 120.500 -0.053 0.000 2.604 354 R HA 0.584 4.925 4.340 0.001 0.000 0.270 354 R C -1.968 174.322 176.300 -0.017 0.000 1.052 354 R CA -0.621 55.458 56.100 -0.034 0.000 0.902 354 R CB 1.315 31.597 30.300 -0.029 0.000 1.233 354 R HN 0.065 nan 8.270 nan 0.000 0.455 355 L N 4.817 126.037 121.223 -0.006 0.000 2.385 355 L HA 0.589 4.930 4.340 0.001 0.000 0.273 355 L C -0.911 175.954 176.870 -0.008 0.000 0.990 355 L CA -0.806 54.043 54.840 0.015 0.000 0.821 355 L CB 2.082 44.173 42.059 0.054 0.000 1.279 355 L HN 0.401 nan 8.230 nan 0.000 0.412 356 L N 2.749 123.946 121.223 -0.044 0.000 2.362 356 L HA 0.537 4.878 4.340 0.001 0.000 0.271 356 L C -0.664 176.178 176.870 -0.045 0.000 1.002 356 L CA -0.583 54.234 54.840 -0.038 0.000 0.818 356 L CB 2.324 44.346 42.059 -0.061 0.000 1.298 356 L HN 0.586 nan 8.230 nan 0.000 0.420 357 Q N 3.212 123.038 119.800 0.043 0.000 2.293 357 Q HA 0.512 4.852 4.340 0.001 0.000 0.261 357 Q C -1.027 175.079 176.000 0.178 0.000 0.960 357 Q CA -0.840 55.015 55.803 0.086 0.000 0.882 357 Q CB 2.472 31.282 28.738 0.120 0.000 1.275 357 Q HN 0.397 nan 8.270 nan 0.000 0.445 358 M N 3.384 123.068 119.600 0.140 0.000 2.094 358 M HA 0.301 4.781 4.480 0.001 0.000 0.348 358 M C -0.273 176.101 176.300 0.122 0.000 1.267 358 M CA 0.037 55.440 55.300 0.172 0.000 1.125 358 M CB -0.163 32.557 32.600 0.201 0.000 1.527 358 M HN 0.508 nan 8.290 nan 0.000 0.447 359 H N 0.932 120.030 119.070 0.047 0.000 2.499 359 H HA 0.401 4.958 4.556 0.001 0.000 0.352 359 H C 0.919 176.263 175.328 0.027 0.000 1.237 359 H CA -0.261 55.807 56.048 0.034 0.000 1.343 359 H CB 1.305 31.082 29.762 0.024 0.000 1.578 359 H HN 0.763 nan 8.280 nan 0.000 0.577 360 A N 1.272 124.167 122.820 0.125 0.000 1.908 360 A HA -0.195 4.126 4.320 0.001 0.000 0.218 360 A C 1.502 179.123 177.584 0.061 0.000 1.181 360 A CA 1.669 53.748 52.037 0.068 0.000 0.627 360 A CB -0.184 18.839 19.000 0.037 0.000 0.818 360 A HN 0.708 nan 8.150 nan 0.000 0.445 361 N N -0.958 117.777 118.700 0.057 0.000 2.177 361 N HA 0.098 4.839 4.740 0.001 0.000 0.218 361 N C -0.365 175.157 175.510 0.020 0.000 1.182 361 N CA 0.840 53.905 53.050 0.025 0.000 0.882 361 N CB 0.709 39.189 38.487 -0.012 0.000 1.052 361 N HN 0.583 nan 8.380 nan 0.000 0.519 362 S N -0.289 115.438 115.700 0.046 0.000 2.588 362 S HA 0.623 5.093 4.470 0.001 0.000 0.269 362 S C -1.261 173.369 174.600 0.049 0.000 1.157 362 S CA -0.887 57.319 58.200 0.010 0.000 0.824 362 S CB 2.419 65.584 63.200 -0.060 0.000 1.126 362 S HN -0.116 nan 8.310 nan 0.000 0.464 363 R N 0.992 121.503 120.500 0.019 0.000 2.460 363 R HA 0.693 5.033 4.340 0.001 0.000 0.303 363 R C -0.852 175.451 176.300 0.005 0.000 0.968 363 R CA -0.465 55.662 56.100 0.046 0.000 0.889 363 R CB 1.143 31.460 30.300 0.030 0.000 1.123 363 R HN 0.638 nan 8.270 nan 0.000 0.455 364 Q N 1.298 121.123 119.800 0.040 0.000 2.292 364 Q HA 0.229 4.570 4.340 0.001 0.000 0.270 364 Q C -0.960 175.059 176.000 0.031 0.000 1.024 364 Q CA -0.529 55.273 55.803 -0.002 0.000 0.768 364 Q CB 2.521 31.225 28.738 -0.056 0.000 1.250 364 Q HN 0.599 nan 8.270 nan 0.000 0.447 365 E N 3.559 123.764 120.200 0.008 0.000 2.316 365 E HA 0.374 4.725 4.350 0.001 0.000 0.275 365 E C -0.450 176.163 176.600 0.022 0.000 1.029 365 E CA -0.203 56.203 56.400 0.009 0.000 0.871 365 E CB 0.571 30.269 29.700 -0.004 0.000 1.022 365 E HN 0.578 nan 8.360 nan 0.000 0.418 366 I N 0.729 121.316 120.570 0.028 0.000 2.892 366 I HA 0.430 4.601 4.170 0.001 0.000 0.306 366 I C -0.166 175.961 176.117 0.017 0.000 1.078 366 I CA -0.899 60.424 61.300 0.038 0.000 1.032 366 I CB 2.039 40.080 38.000 0.068 0.000 1.229 366 I HN 0.340 nan 8.210 nan 0.000 0.435 367 D N 1.581 121.989 120.400 0.013 0.000 2.277 367 D HA 0.121 4.762 4.640 0.001 0.000 0.209 367 D C 0.077 176.347 176.300 -0.050 0.000 0.970 367 D CA 1.218 55.208 54.000 -0.016 0.000 0.874 367 D CB 0.694 41.488 40.800 -0.010 0.000 0.982 367 D HN 0.671 nan 8.370 nan 0.000 0.504 368 T N 0.308 114.829 114.554 -0.055 0.000 2.916 368 T HA 0.493 4.844 4.350 0.001 0.000 0.298 368 T C -0.505 174.072 174.700 -0.204 0.000 1.031 368 T CA -0.603 61.379 62.100 -0.197 0.000 0.993 368 T CB 2.980 71.656 68.868 -0.321 0.000 1.045 368 T HN -0.348 nan 8.240 nan 0.000 0.454 369 V N 3.259 123.035 119.914 -0.231 0.000 2.495 369 V HA 0.559 4.679 4.120 0.001 0.000 0.298 369 V C -1.128 174.869 176.094 -0.162 0.000 1.031 369 V CA -0.898 61.368 62.300 -0.056 0.000 0.871 369 V CB 1.011 32.932 31.823 0.164 0.000 0.988 369 V HN 0.822 nan 8.190 nan 0.000 0.432 370 Y N 0.646 121.019 120.300 0.121 0.000 2.596 370 Y HA 0.450 5.000 4.550 0.001 0.000 0.326 370 Y C 1.129 177.107 175.900 0.131 0.000 1.167 370 Y CA -0.774 57.396 58.100 0.117 0.000 1.246 370 Y CB 1.135 39.646 38.460 0.086 0.000 1.347 370 Y HN 0.530 nan 8.280 nan 0.000 0.515 371 S N 0.678 116.556 115.700 0.297 0.000 2.546 371 S HA 0.285 4.755 4.470 0.001 0.000 0.290 371 S C 0.993 175.675 174.600 0.137 0.000 1.290 371 S CA 0.998 59.314 58.200 0.193 0.000 1.069 371 S CB -0.196 63.106 63.200 0.171 0.000 0.846 371 S HN 1.092 nan 8.310 nan 0.000 0.495 372 G N 2.924 111.757 108.800 0.055 0.000 2.195 372 G HA2 -0.190 3.770 3.960 0.001 0.000 0.246 372 G HA3 -0.190 3.770 3.960 0.001 0.000 0.246 372 G C -0.250 174.652 174.900 0.003 0.000 0.984 372 G CA -0.054 45.051 45.100 0.008 0.000 0.633 372 G HN 0.626 nan 8.290 nan 0.000 0.525 373 D N 0.060 120.492 120.400 0.055 0.000 2.294 373 D HA 0.693 5.333 4.640 0.001 0.000 0.250 373 D C 0.513 176.809 176.300 -0.006 0.000 1.058 373 D CA -0.024 54.010 54.000 0.056 0.000 0.950 373 D CB 1.304 42.184 40.800 0.134 0.000 1.158 373 D HN 0.271 nan 8.370 nan 0.000 0.453 374 I N 0.817 121.365 120.570 -0.037 0.000 2.509 374 I HA 0.632 4.803 4.170 0.001 0.000 0.293 374 I C -0.083 175.912 176.117 -0.202 0.000 1.020 374 I CA -0.449 60.797 61.300 -0.090 0.000 1.088 374 I CB 1.848 39.875 38.000 0.045 0.000 1.267 374 I HN 0.377 nan 8.210 nan 0.000 0.430 375 A N 4.199 126.684 122.820 -0.558 0.000 2.529 375 A HA 0.967 5.288 4.320 0.001 0.000 0.296 375 A C -1.716 175.419 177.584 -0.748 0.000 1.205 375 A CA -0.624 51.110 52.037 -0.505 0.000 0.671 375 A CB 1.525 20.306 19.000 -0.364 0.000 1.301 375 A HN 0.740 nan 8.150 nan 0.000 0.450 376 A N -0.365 122.123 122.820 -0.553 0.000 2.343 376 A HA 0.788 5.109 4.320 0.001 0.000 0.316 376 A C 0.011 177.501 177.584 -0.156 0.000 1.104 376 A CA 0.119 51.789 52.037 -0.613 0.000 0.768 376 A CB 0.871 19.154 19.000 -1.195 0.000 1.213 376 A HN 2.329 nan 8.150 nan 0.000 0.456 377 A N 1.952 124.834 122.820 0.102 0.000 2.331 377 A HA 0.587 4.908 4.320 0.001 0.000 0.283 377 A C -0.107 177.461 177.584 -0.027 0.000 1.142 377 A CA -0.290 51.804 52.037 0.096 0.000 0.812 377 A CB 0.257 19.320 19.000 0.106 0.000 1.074 377 A HN 1.086 nan 8.150 nan 0.000 0.497 378 V N 2.117 122.011 119.914 -0.033 0.000 2.432 378 V HA 0.541 4.662 4.120 0.001 0.000 0.275 378 V C 1.278 177.356 176.094 -0.027 0.000 1.043 378 V CA 0.756 63.033 62.300 -0.038 0.000 0.925 378 V CB 0.566 32.370 31.823 -0.031 0.000 0.985 378 V HN 1.846 nan 8.190 nan 0.000 0.466 379 G N 4.630 113.419 108.800 -0.018 0.000 2.295 379 G HA2 -0.222 3.738 3.960 0.001 0.000 0.287 379 G HA3 -0.222 3.738 3.960 0.001 0.000 0.287 379 G C -0.042 174.849 174.900 -0.015 0.000 1.055 379 G CA -0.076 45.017 45.100 -0.012 0.000 0.922 379 G HN 0.603 nan 8.290 nan 0.000 0.503 380 L N -0.978 120.236 121.223 -0.014 0.000 2.456 380 L HA 0.197 4.538 4.340 0.001 0.000 0.272 380 L C 1.934 178.803 176.870 -0.002 0.000 1.189 380 L CA 0.015 54.846 54.840 -0.014 0.000 0.846 380 L CB 0.603 42.653 42.059 -0.015 0.000 1.111 380 L HN 0.211 nan 8.230 nan 0.000 0.475 381 K N 1.145 121.545 120.400 0.000 0.000 2.001 381 K HA -0.111 4.209 4.320 0.001 0.000 0.208 381 K C 0.366 176.973 176.600 0.012 0.000 1.048 381 K CA 1.516 57.808 56.287 0.008 0.000 0.932 381 K CB 0.055 32.564 32.500 0.014 0.000 0.715 381 K HN 0.525 nan 8.250 nan 0.000 0.437 382 D N -0.373 120.035 120.400 0.013 0.000 2.908 382 D HA 0.127 4.768 4.640 0.001 0.000 0.361 382 D C -1.489 174.820 176.300 0.015 0.000 1.416 382 D CA -0.039 53.970 54.000 0.014 0.000 0.796 382 D CB 0.808 41.617 40.800 0.015 0.000 1.185 382 D HN -0.090 nan 8.370 nan 0.000 0.451 383 T N -0.151 114.413 114.554 0.016 0.000 2.815 383 T HA 0.681 5.031 4.350 0.001 0.000 0.289 383 T C 0.231 174.951 174.700 0.033 0.000 1.000 383 T CA -0.703 61.409 62.100 0.020 0.000 0.958 383 T CB 1.606 70.480 68.868 0.010 0.000 0.944 383 T HN 0.126 nan 8.240 nan 0.000 0.442 384 G N 1.433 110.257 108.800 0.040 0.000 3.013 384 G HA2 0.595 4.555 3.960 0.001 0.000 0.278 384 G HA3 0.595 4.555 3.960 0.001 0.000 0.278 384 G C -0.349 174.593 174.900 0.069 0.000 1.353 384 G CA -0.671 44.461 45.100 0.054 0.000 1.043 384 G HN 0.543 nan 8.290 nan 0.000 0.523 385 T N 0.096 114.700 114.554 0.083 0.000 2.908 385 T HA 0.381 4.731 4.350 0.001 0.000 0.301 385 T C 1.484 176.244 174.700 0.099 0.000 1.019 385 T CA 1.868 64.029 62.100 0.102 0.000 1.152 385 T CB 0.628 69.563 68.868 0.112 0.000 0.966 385 T HN 1.918 nan 8.240 nan 0.000 0.540 386 G N 3.147 112.017 108.800 0.117 0.000 2.195 386 G HA2 -0.195 3.765 3.960 0.001 0.000 0.246 386 G HA3 -0.195 3.765 3.960 0.001 0.000 0.246 386 G C -0.143 174.802 174.900 0.075 0.000 0.984 386 G CA -0.295 44.864 45.100 0.099 0.000 0.633 386 G HN 0.677 nan 8.290 nan 0.000 0.525 387 D N 1.222 121.664 120.400 0.070 0.000 2.341 387 D HA 0.526 5.167 4.640 0.001 0.000 0.245 387 D C 0.516 176.840 176.300 0.040 0.000 1.106 387 D CA 0.568 54.594 54.000 0.043 0.000 0.905 387 D CB 1.084 41.905 40.800 0.035 0.000 1.202 387 D HN 0.077 nan 8.370 nan 0.000 0.426 388 T N 1.885 116.441 114.554 0.004 0.000 2.799 388 T HA 0.473 4.824 4.350 0.001 0.000 0.286 388 T C 0.229 174.903 174.700 -0.043 0.000 0.973 388 T CA -0.559 61.525 62.100 -0.026 0.000 1.035 388 T CB 0.539 69.367 68.868 -0.066 0.000 0.932 388 T HN 0.061 nan 8.240 nan 0.000 0.469 389 L N 3.401 124.574 121.223 -0.083 0.000 2.325 389 L HA 0.776 5.117 4.340 0.001 0.000 0.278 389 L C 0.314 177.066 176.870 -0.196 0.000 1.023 389 L CA -0.848 53.950 54.840 -0.070 0.000 0.811 389 L CB 1.327 43.382 42.059 -0.008 0.000 1.249 389 L HN 0.873 nan 8.230 nan 0.000 0.431 390 C N -0.246 119.039 119.300 -0.025 0.000 3.340 390 C HA 0.854 5.315 4.460 0.001 0.000 0.333 390 C C 0.644 175.791 174.990 0.261 0.000 1.464 390 C CA -0.797 58.219 59.018 -0.004 0.000 1.337 390 C CB 0.810 28.517 27.740 -0.056 0.000 1.740 390 C HN 0.907 nan 8.230 nan 0.000 0.450 391 G N 0.238 109.195 108.800 0.263 0.000 2.559 391 G HA2 0.302 4.262 3.960 0.001 0.000 0.235 391 G HA3 0.302 4.262 3.960 0.001 0.000 0.235 391 G C 0.518 175.482 174.900 0.107 0.000 1.266 391 G CA 0.151 45.364 45.100 0.189 0.000 0.847 391 G HN 0.977 nan 8.290 nan 0.000 0.583 392 E N 0.716 120.966 120.200 0.084 0.000 2.136 392 E HA -0.202 4.148 4.350 0.001 0.000 0.202 392 E C 2.082 178.700 176.600 0.031 0.000 1.019 392 E CA 1.483 57.913 56.400 0.050 0.000 0.819 392 E CB 0.024 29.744 29.700 0.033 0.000 0.739 392 E HN 0.544 nan 8.360 nan 0.000 0.458 393 K N 0.068 120.488 120.400 0.032 0.000 2.459 393 K HA 0.015 4.335 4.320 0.001 0.000 0.193 393 K C 0.614 177.227 176.600 0.022 0.000 1.030 393 K CA -0.074 56.226 56.287 0.022 0.000 1.026 393 K CB 0.160 32.672 32.500 0.021 0.000 0.809 393 K HN -0.035 nan 8.250 nan 0.000 0.504 394 N N 0.986 119.704 118.700 0.029 0.000 2.531 394 N HA 0.060 4.800 4.740 0.001 0.000 0.290 394 N C -1.338 174.179 175.510 0.011 0.000 1.257 394 N CA -0.650 52.413 53.050 0.022 0.000 0.863 394 N CB 1.469 39.974 38.487 0.029 0.000 1.320 394 N HN -0.043 nan 8.380 nan 0.000 0.538 395 D N -0.002 120.397 120.400 -0.001 0.000 2.914 395 D HA 0.123 4.764 4.640 0.001 0.000 0.349 395 D C -0.380 175.897 176.300 -0.039 0.000 1.540 395 D CA -0.288 53.706 54.000 -0.011 0.000 0.778 395 D CB -1.074 39.728 40.800 0.002 0.000 1.213 395 D HN 0.492 nan 8.370 nan 0.000 0.451 396 I N 0.484 121.018 120.570 -0.060 0.000 2.529 396 I HA 0.345 4.516 4.170 0.001 0.000 0.284 396 I C -0.644 175.377 176.117 -0.160 0.000 1.082 396 I CA -0.423 60.812 61.300 -0.108 0.000 1.406 396 I CB 0.594 38.536 38.000 -0.096 0.000 1.405 396 I HN 0.007 nan 8.210 nan 0.000 0.548 397 I N 7.795 128.197 120.570 -0.281 0.000 2.465 397 I HA 0.202 4.373 4.170 0.001 0.000 0.291 397 I C 0.235 176.139 176.117 -0.355 0.000 1.014 397 I CA -0.514 60.592 61.300 -0.324 0.000 1.093 397 I CB 2.021 39.757 38.000 -0.439 0.000 1.267 397 I HN 0.677 nan 8.210 nan 0.000 0.431 398 L N 4.208 125.303 121.223 -0.212 0.000 2.638 398 L HA 0.329 4.670 4.340 0.001 0.000 0.232 398 L C 0.534 177.339 176.870 -0.109 0.000 1.099 398 L CA 0.349 55.083 54.840 -0.177 0.000 0.883 398 L CB 0.395 42.352 42.059 -0.170 0.000 1.136 398 L HN 0.582 nan 8.230 nan 0.000 0.492 399 E N 0.795 120.952 120.200 -0.072 0.000 2.260 399 E HA 0.465 4.816 4.350 0.001 0.000 0.266 399 E C -1.024 175.585 176.600 0.015 0.000 0.887 399 E CA -0.263 56.131 56.400 -0.010 0.000 0.777 399 E CB 1.774 31.487 29.700 0.022 0.000 1.205 399 E HN 0.093 nan 8.360 nan 0.000 0.414 400 S N 3.267 118.997 115.700 0.050 0.000 2.643 400 S HA 0.567 5.038 4.470 0.001 0.000 0.270 400 S C -0.847 173.783 174.600 0.049 0.000 1.166 400 S CA -1.028 57.214 58.200 0.070 0.000 0.815 400 S CB 1.107 64.391 63.200 0.139 0.000 1.139 400 S HN 0.490 nan 8.310 nan 0.000 0.472 401 M N 1.473 121.094 119.600 0.036 0.000 2.364 401 M HA 0.432 4.912 4.480 0.001 0.000 0.334 401 M C 1.200 177.462 176.300 -0.064 0.000 1.107 401 M CA -0.518 54.791 55.300 0.015 0.000 0.988 401 M CB 1.898 34.545 32.600 0.078 0.000 1.673 401 M HN 1.057 nan 8.290 nan 0.000 0.441 402 E N 2.865 122.966 120.200 -0.165 0.000 2.085 402 E HA -0.118 4.233 4.350 0.001 0.000 0.194 402 E C -0.580 175.680 176.600 -0.567 0.000 0.994 402 E CA 1.459 57.608 56.400 -0.418 0.000 0.801 402 E CB 0.302 29.665 29.700 -0.562 0.000 0.743 402 E HN 0.559 nan 8.360 nan 0.000 0.453 403 F N 0.610 120.594 119.950 0.057 0.000 2.359 403 F HA 0.281 4.809 4.527 0.001 0.000 0.370 403 F C -1.625 174.183 175.800 0.013 0.000 1.077 403 F CA -1.966 56.055 58.000 0.035 0.000 1.136 403 F CB 1.638 40.688 39.000 0.083 0.000 1.387 403 F HN 0.009 nan 8.300 nan 0.000 0.468 404 P HA -0.094 nan 4.420 nan 0.000 0.223 404 P C 0.015 177.350 177.300 0.059 0.000 1.151 404 P CA 0.862 64.009 63.100 0.077 0.000 0.787 404 P CB 0.376 32.099 31.700 0.040 0.000 0.788 405 E N 1.423 121.641 120.200 0.031 0.000 2.373 405 E HA 0.203 4.554 4.350 0.001 0.000 0.267 405 E C -2.091 174.503 176.600 -0.009 0.000 1.032 405 E CA -2.221 54.173 56.400 -0.010 0.000 0.889 405 E CB -0.532 29.140 29.700 -0.046 0.000 0.984 405 E HN 0.204 nan 8.360 nan 0.000 0.425 406 P HA -0.057 nan 4.420 nan 0.000 0.266 406 P C 0.690 177.944 177.300 -0.076 0.000 1.195 406 P CA 0.119 63.186 63.100 -0.055 0.000 0.768 406 P CB 0.494 32.095 31.700 -0.166 0.000 0.838 407 V N 0.818 120.684 119.914 -0.081 0.000 3.605 407 V HA 0.419 4.540 4.120 0.001 0.000 0.284 407 V C 0.576 176.635 176.094 -0.059 0.000 1.386 407 V CA 0.323 62.593 62.300 -0.051 0.000 1.053 407 V CB -0.392 31.416 31.823 -0.025 0.000 0.857 407 V HN 0.399 nan 8.190 nan 0.000 0.436 408 I N 0.181 120.670 120.570 -0.136 0.000 2.752 408 I HA 0.683 4.853 4.170 0.001 0.000 0.295 408 I C -1.312 174.686 176.117 -0.199 0.000 1.219 408 I CA -0.547 60.718 61.300 -0.059 0.000 1.030 408 I CB 2.580 40.569 38.000 -0.018 0.000 1.259 408 I HN 0.245 nan 8.210 nan 0.000 0.423 409 H N 5.526 124.651 119.070 0.092 0.000 2.894 409 H HA 0.784 5.340 4.556 0.001 0.000 0.368 409 H C -1.559 173.822 175.328 0.087 0.000 1.181 409 H CA -0.620 55.485 56.048 0.096 0.000 1.146 409 H CB 2.255 32.081 29.762 0.108 0.000 1.839 409 H HN 0.330 nan 8.280 nan 0.000 0.557 410 L N 1.256 122.599 121.223 0.200 0.000 2.455 410 L HA 0.474 4.815 4.340 0.001 0.000 0.264 410 L C -0.612 176.320 176.870 0.103 0.000 0.968 410 L CA -0.551 54.361 54.840 0.119 0.000 0.827 410 L CB 2.045 44.141 42.059 0.061 0.000 1.317 410 L HN 0.805 nan 8.230 nan 0.000 0.407 411 S N 3.119 118.865 115.700 0.076 0.000 2.554 411 S HA 0.882 5.352 4.470 0.001 0.000 0.278 411 S C -0.709 173.908 174.600 0.030 0.000 1.242 411 S CA -0.557 57.676 58.200 0.055 0.000 1.051 411 S CB 1.552 64.780 63.200 0.048 0.000 0.986 411 S HN 0.395 nan 8.310 nan 0.000 0.502 412 V N 2.366 122.290 119.914 0.017 0.000 2.577 412 V HA 0.520 4.641 4.120 0.001 0.000 0.303 412 V C -0.655 175.436 176.094 -0.005 0.000 1.042 412 V CA -0.596 61.704 62.300 -0.000 0.000 0.872 412 V CB 1.553 33.367 31.823 -0.015 0.000 0.998 412 V HN 1.006 nan 8.190 nan 0.000 0.423 413 E N 6.601 126.797 120.200 -0.005 0.000 2.141 413 E HA 0.467 4.818 4.350 0.001 0.000 0.259 413 E C -2.626 173.968 176.600 -0.009 0.000 0.883 413 E CA -1.999 54.397 56.400 -0.007 0.000 0.744 413 E CB 1.975 31.674 29.700 -0.003 0.000 1.150 413 E HN 0.446 nan 8.360 nan 0.000 0.420 414 P HA 0.008 nan 4.420 nan 0.000 0.269 414 P C -0.042 177.254 177.300 -0.007 0.000 1.209 414 P CA -0.126 62.968 63.100 -0.011 0.000 0.776 414 P CB 1.167 32.858 31.700 -0.015 0.000 0.876 415 K N 0.807 121.204 120.400 -0.004 0.000 2.288 415 K HA 0.019 4.339 4.320 0.001 0.000 0.201 415 K C 0.814 177.412 176.600 -0.003 0.000 1.048 415 K CA 0.803 57.088 56.287 -0.002 0.000 0.956 415 K CB 0.090 32.590 32.500 -0.000 0.000 0.746 415 K HN 0.723 nan 8.250 nan 0.000 0.461 416 S N -2.728 112.970 115.700 -0.003 0.000 2.703 416 S HA 0.332 4.803 4.470 0.001 0.000 0.273 416 S C 0.001 174.598 174.600 -0.005 0.000 1.178 416 S CA -1.014 57.184 58.200 -0.003 0.000 0.838 416 S CB 0.914 64.113 63.200 -0.001 0.000 1.178 416 S HN -0.181 nan 8.310 nan 0.000 0.494 417 K N 1.252 121.649 120.400 -0.004 0.000 2.009 417 K HA 0.176 4.496 4.320 0.001 0.000 0.210 417 K C 2.395 178.993 176.600 -0.003 0.000 1.049 417 K CA 2.134 58.418 56.287 -0.005 0.000 0.929 417 K CB -1.190 31.308 32.500 -0.004 0.000 0.714 417 K HN 0.713 nan 8.250 nan 0.000 0.440 418 A N 1.571 124.391 122.820 0.000 0.000 1.917 418 A HA -0.250 4.071 4.320 0.001 0.000 0.219 418 A C 1.749 179.336 177.584 0.006 0.000 1.182 418 A CA 2.224 54.263 52.037 0.004 0.000 0.633 418 A CB -0.667 nan 19.000 nan 0.000 0.819 418 A HN 0.281 nan 8.150 nan 0.000 0.448 419 D N -1.164 119.238 120.400 0.004 0.000 2.224 419 D HA -0.115 4.525 4.640 0.001 0.000 0.205 419 D C 2.078 178.375 176.300 -0.005 0.000 0.965 419 D CA 0.973 54.975 54.000 0.004 0.000 0.852 419 D CB -0.202 40.599 40.800 0.003 0.000 0.947 419 D HN 0.618 nan 8.370 nan 0.000 0.494 420 Q N 0.484 120.279 119.800 -0.009 0.000 2.016 420 Q HA -0.138 4.202 4.340 0.001 0.000 0.200 420 Q C 1.442 177.430 176.000 -0.020 0.000 0.978 420 Q CA 1.077 56.869 55.803 -0.018 0.000 0.833 420 Q CB 0.187 28.914 28.738 -0.019 0.000 0.895 420 Q HN 0.173 nan 8.270 nan 0.000 0.427 421 D N 0.577 120.969 120.400 -0.012 0.000 2.133 421 D HA -0.175 4.465 4.640 0.001 0.000 0.195 421 D C 1.731 178.026 176.300 -0.009 0.000 0.997 421 D CA 1.277 55.271 54.000 -0.010 0.000 0.840 421 D CB -0.100 40.699 40.800 -0.002 0.000 0.947 421 D HN 0.209 nan 8.370 nan 0.000 0.452 422 K N -0.086 120.316 120.400 0.003 0.000 2.147 422 K HA -0.072 4.249 4.320 0.001 0.000 0.205 422 K C 2.154 178.739 176.600 -0.025 0.000 1.049 422 K CA 0.593 56.891 56.287 0.019 0.000 0.936 422 K CB -0.111 32.418 32.500 0.048 0.000 0.722 422 K HN 0.166 nan 8.250 nan 0.000 0.446 423 M N 0.464 120.039 119.600 -0.041 0.000 2.156 423 M HA -0.154 4.326 4.480 0.001 0.000 0.264 423 M C 1.843 178.081 176.300 -0.105 0.000 1.067 423 M CA 1.528 56.781 55.300 -0.078 0.000 1.131 423 M CB -0.040 32.526 32.600 -0.056 0.000 1.368 423 M HN 0.015 nan 8.290 nan 0.000 0.416 424 T N 0.514 115.023 114.554 -0.075 0.000 2.665 424 T HA -0.262 4.089 4.350 0.001 0.000 0.268 424 T C 1.684 176.330 174.700 -0.089 0.000 1.035 424 T CA 1.847 63.904 62.100 -0.072 0.000 1.151 424 T CB -0.336 68.502 68.868 -0.049 0.000 0.862 424 T HN 0.527 nan 8.240 nan 0.000 0.438 425 Q N 0.454 120.201 119.800 -0.088 0.000 2.050 425 Q HA -0.122 4.219 4.340 0.001 0.000 0.202 425 Q C 2.613 178.457 176.000 -0.260 0.000 0.980 425 Q CA 1.634 57.377 55.803 -0.099 0.000 0.840 425 Q CB -0.354 28.370 28.738 -0.023 0.000 0.898 425 Q HN 0.533 nan 8.270 nan 0.000 0.424 426 A N 1.019 123.559 122.820 -0.467 0.000 1.917 426 A HA -0.205 4.116 4.320 0.001 0.000 0.219 426 A C 2.125 179.362 177.584 -0.577 0.000 1.182 426 A CA 1.466 52.876 52.037 -1.046 0.000 0.633 426 A CB -0.782 17.689 19.000 -0.882 0.000 0.819 426 A HN 0.452 nan 8.150 nan 0.000 0.448 427 L N -0.845 120.214 121.223 -0.273 0.000 2.109 427 L HA -0.130 4.210 4.340 0.001 0.000 0.207 427 L C 2.532 179.399 176.870 -0.006 0.000 1.086 427 L CA 0.870 55.662 54.840 -0.080 0.000 0.760 427 L CB -0.424 41.615 42.059 -0.034 0.000 0.910 427 L HN 0.260 nan 8.230 nan 0.000 0.437 428 V N -0.332 119.544 119.914 -0.062 0.000 2.295 428 V HA -0.256 3.864 4.120 0.001 0.000 0.246 428 V C 2.556 178.649 176.094 -0.002 0.000 1.049 428 V CA 1.533 63.816 62.300 -0.028 0.000 1.024 428 V CB -0.506 31.298 31.823 -0.031 0.000 0.648 428 V HN 0.367 nan 8.190 nan 0.000 0.447 429 K N -0.104 120.274 120.400 -0.037 0.000 2.097 429 K HA 0.003 4.324 4.320 0.001 0.000 0.205 429 K C 2.061 178.716 176.600 0.092 0.000 1.050 429 K CA 1.129 57.440 56.287 0.040 0.000 0.938 429 K CB -0.540 32.022 32.500 0.103 0.000 0.718 429 K HN 0.394 nan 8.250 nan 0.000 0.442 430 L N 0.898 122.156 121.223 0.057 0.000 2.141 430 L HA -0.176 4.165 4.340 0.001 0.000 0.209 430 L C 2.518 179.634 176.870 0.411 0.000 1.094 430 L CA 1.125 56.085 54.840 0.199 0.000 0.763 430 L CB -0.315 41.782 42.059 0.063 0.000 0.908 430 L HN 0.247 nan 8.230 nan 0.000 0.437 431 Q N -0.139 119.838 119.800 0.296 0.000 2.119 431 Q HA -0.209 4.131 4.340 0.001 0.000 0.201 431 Q C 2.020 178.051 176.000 0.052 0.000 0.972 431 Q CA 1.324 57.149 55.803 0.037 0.000 0.847 431 Q CB -0.013 28.638 28.738 -0.145 0.000 0.903 431 Q HN 0.561 nan 8.270 nan 0.000 0.433 432 E N 0.704 120.951 120.200 0.077 0.000 2.118 432 E HA -0.206 4.144 4.350 0.001 0.000 0.195 432 E C 1.586 178.249 176.600 0.105 0.000 0.992 432 E CA 1.045 57.491 56.400 0.077 0.000 0.804 432 E CB 0.023 29.770 29.700 0.077 0.000 0.741 432 E HN 0.429 nan 8.360 nan 0.000 0.458 433 E N 0.167 120.454 120.200 0.145 0.000 2.250 433 E HA -0.040 4.311 4.350 0.001 0.000 0.192 433 E C 0.093 176.797 176.600 0.173 0.000 0.986 433 E CA 0.358 56.850 56.400 0.154 0.000 0.849 433 E CB 0.420 30.219 29.700 0.165 0.000 0.797 433 E HN -0.015 nan 8.360 nan 0.000 0.482 434 D N -0.366 120.167 120.400 0.222 0.000 2.478 434 D HA 0.081 4.721 4.640 0.001 0.000 0.240 434 D C -2.236 174.182 176.300 0.195 0.000 1.364 434 D CA -2.128 52.027 54.000 0.259 0.000 0.987 434 D CB 1.516 42.557 40.800 0.401 0.000 1.328 434 D HN -0.227 nan 8.370 nan 0.000 0.584 435 P HA 0.004 nan 4.420 nan 0.000 0.241 435 P C 0.888 178.207 177.300 0.032 0.000 1.191 435 P CA 0.573 63.689 63.100 0.026 0.000 0.771 435 P CB 0.027 31.750 31.700 0.040 0.000 0.929 436 T N -3.798 110.837 114.554 0.136 0.000 3.086 436 T HA 0.177 4.528 4.350 0.001 0.000 0.250 436 T C 0.396 175.310 174.700 0.357 0.000 1.074 436 T CA -0.573 61.628 62.100 0.169 0.000 0.988 436 T CB -0.947 67.958 68.868 0.062 0.000 0.988 436 T HN 0.062 nan 8.240 nan 0.000 0.530 437 F N 0.640 120.732 119.950 0.238 0.000 2.541 437 F HA 0.826 5.353 4.527 0.001 0.000 0.331 437 F C -0.543 175.349 175.800 0.154 0.000 1.057 437 F CA -1.788 56.318 58.000 0.176 0.000 0.975 437 F CB 0.966 39.980 39.000 0.023 0.000 1.246 437 F HN 0.089 nan 8.300 nan 0.000 0.484 438 H N 1.007 120.124 119.070 0.078 0.000 2.690 438 H HA 0.808 5.364 4.556 0.001 0.000 0.368 438 H C -1.792 173.663 175.328 0.212 0.000 1.150 438 H CA -0.603 55.444 56.048 -0.002 0.000 1.174 438 H CB 1.893 31.686 29.762 0.052 0.000 1.684 438 H HN 1.089 nan 8.280 nan 0.000 0.538 439 A N 4.190 126.692 122.820 -0.529 0.000 2.422 439 A HA 0.365 4.686 4.320 0.001 0.000 0.302 439 A C -1.762 175.665 177.584 -0.262 0.000 1.041 439 A CA -0.630 51.309 52.037 -0.162 0.000 0.708 439 A CB 1.095 20.128 19.000 0.055 0.000 1.257 439 A HN 0.854 nan 8.150 nan 0.000 0.414 440 H N 2.162 121.186 119.070 -0.077 0.000 2.547 440 H HA 0.561 5.118 4.556 0.001 0.000 0.342 440 H C -0.714 174.616 175.328 0.004 0.000 1.048 440 H CA -0.086 55.956 56.048 -0.011 0.000 1.204 440 H CB 1.504 31.323 29.762 0.095 0.000 1.493 440 H HN 0.636 nan 8.280 nan 0.000 0.511 446 G N 1.785 110.555 108.800 -0.050 0.000 2.179 446 G HA2 -0.245 3.715 3.960 0.001 0.000 0.260 446 G HA3 -0.245 3.715 3.960 0.001 0.000 0.260 446 G C -0.083 174.786 174.900 -0.051 0.000 0.977 446 G CA 0.760 45.827 45.100 -0.055 0.000 0.641 446 G HN 0.849 nan 8.290 nan 0.000 0.533 447 Q N 0.353 120.126 119.800 -0.044 0.000 2.332 447 Q HA 0.491 4.831 4.340 0.001 0.000 0.263 447 Q C -0.025 175.944 176.000 -0.051 0.000 0.979 447 Q CA 0.032 55.817 55.803 -0.030 0.000 0.885 447 Q CB 1.389 30.122 28.738 -0.007 0.000 1.218 447 Q HN 0.768 nan 8.270 nan 0.000 0.405 448 V N 6.222 126.116 119.914 -0.032 0.000 2.459 448 V HA 0.506 4.626 4.120 0.001 0.000 0.295 448 V C -0.703 175.411 176.094 0.033 0.000 1.029 448 V CA -0.658 61.624 62.300 -0.030 0.000 0.874 448 V CB 1.421 33.220 31.823 -0.040 0.000 0.985 448 V HN 0.768 nan 8.190 nan 0.000 0.438 449 I N 7.527 128.151 120.570 0.089 0.000 2.339 449 I HA 0.444 4.615 4.170 0.001 0.000 0.290 449 I C -0.258 175.978 176.117 0.198 0.000 0.994 449 I CA -0.446 60.945 61.300 0.153 0.000 1.191 449 I CB 1.704 39.811 38.000 0.180 0.000 1.343 449 I HN 0.484 nan 8.210 nan 0.000 0.458 450 I N 4.847 125.524 120.570 0.178 0.000 2.392 450 I HA 0.453 4.624 4.170 0.001 0.000 0.295 450 I C 0.571 176.814 176.117 0.210 0.000 0.985 450 I CA -0.304 61.100 61.300 0.173 0.000 1.221 450 I CB 1.918 39.939 38.000 0.035 0.000 1.366 450 I HN 0.605 nan 8.210 nan 0.000 0.467 451 G N 3.368 112.300 108.800 0.221 0.000 2.461 451 G HA2 0.728 4.689 3.960 0.001 0.000 0.323 451 G HA3 0.728 4.689 3.960 0.001 0.000 0.323 451 G C -0.579 174.335 174.900 0.022 0.000 1.229 451 G CA -0.500 44.556 45.100 -0.074 0.000 0.941 451 G HN 0.828 nan 8.290 nan 0.000 0.477 452 G N 0.378 109.139 108.800 -0.065 0.000 2.870 452 G HA2 0.452 4.412 3.960 0.001 0.000 0.299 452 G HA3 0.452 4.412 3.960 0.001 0.000 0.299 452 G C 0.279 175.284 174.900 0.175 0.000 1.324 452 G CA -0.540 44.638 45.100 0.130 0.000 0.808 452 G HN 0.366 nan 8.290 nan 0.000 0.535 453 M N 0.119 119.964 119.600 0.408 0.000 2.382 453 M HA 0.335 4.815 4.480 0.001 0.000 0.247 453 M C 0.856 177.190 176.300 0.056 0.000 1.104 453 M CA 0.188 55.573 55.300 0.142 0.000 1.030 453 M CB 0.107 32.709 32.600 0.003 0.000 1.424 453 M HN 0.939 nan 8.290 nan 0.000 0.486 454 G N 0.213 109.069 108.800 0.094 0.000 2.356 454 G HA2 0.265 4.226 3.960 0.001 0.000 0.294 454 G HA3 0.265 4.226 3.960 0.001 0.000 0.294 454 G C 0.105 175.031 174.900 0.043 0.000 1.423 454 G CA -0.143 44.965 45.100 0.013 0.000 0.806 454 G HN 0.230 nan 8.290 nan 0.000 0.527 455 E N -0.370 119.837 120.200 0.013 0.000 2.110 455 E HA -0.144 4.207 4.350 0.001 0.000 0.193 455 E C 2.252 178.900 176.600 0.080 0.000 0.988 455 E CA 1.499 57.949 56.400 0.083 0.000 0.804 455 E CB -0.058 29.738 29.700 0.159 0.000 0.745 455 E HN 0.377 nan 8.360 nan 0.000 0.458 456 L N 1.321 122.589 121.223 0.076 0.000 2.017 456 L HA -0.193 4.147 4.340 0.001 0.000 0.208 456 L C 2.536 179.442 176.870 0.060 0.000 1.073 456 L CA 2.308 57.183 54.840 0.058 0.000 0.745 456 L CB -0.774 41.313 42.059 0.046 0.000 0.894 456 L HN 0.323 nan 8.230 nan 0.000 0.432 457 H N -0.587 118.459 119.070 -0.040 0.000 2.289 457 H HA -0.213 4.343 4.556 0.001 0.000 0.296 457 H C 2.203 177.500 175.328 -0.053 0.000 1.091 457 H CA 2.350 58.370 56.048 -0.046 0.000 1.274 457 H CB 0.009 29.755 29.762 -0.026 0.000 1.364 457 H HN 0.400 nan 8.280 nan 0.000 0.490 458 L N 0.147 121.298 121.223 -0.120 0.000 1.989 458 L HA -0.208 4.132 4.340 0.001 0.000 0.211 458 L C 2.508 179.306 176.870 -0.120 0.000 1.071 458 L CA 1.738 56.470 54.840 -0.181 0.000 0.749 458 L CB -0.597 41.416 42.059 -0.077 0.000 0.890 458 L HN 0.371 nan 8.230 nan 0.000 0.431 459 D N 0.341 120.714 120.400 -0.046 0.000 2.133 459 D HA -0.232 4.409 4.640 0.001 0.000 0.195 459 D C 2.118 178.387 176.300 -0.052 0.000 0.997 459 D CA 1.395 55.376 54.000 -0.032 0.000 0.840 459 D CB 0.004 40.804 40.800 0.001 0.000 0.947 459 D HN 0.259 nan 8.370 nan 0.000 0.452 460 I N -0.279 120.255 120.570 -0.061 0.000 2.252 460 I HA -0.227 3.943 4.170 0.001 0.000 0.245 460 I C 2.250 178.317 176.117 -0.083 0.000 1.102 460 I CA 0.623 61.886 61.300 -0.062 0.000 1.385 460 I CB -0.127 37.840 38.000 -0.056 0.000 1.064 460 I HN 0.134 nan 8.210 nan 0.000 0.414 461 L N -0.400 120.727 121.223 -0.160 0.000 2.017 461 L HA -0.197 4.144 4.340 0.001 0.000 0.208 461 L C 2.577 179.346 176.870 -0.168 0.000 1.073 461 L CA 1.062 55.758 54.840 -0.239 0.000 0.745 461 L CB -0.668 41.104 42.059 -0.479 0.000 0.894 461 L HN 0.047 nan 8.230 nan 0.000 0.432 462 V N 0.153 119.982 119.914 -0.142 0.000 2.287 462 V HA -0.361 3.759 4.120 0.001 0.000 0.248 462 V C 2.198 178.267 176.094 -0.041 0.000 1.053 462 V CA 2.275 64.522 62.300 -0.087 0.000 1.027 462 V CB -0.526 31.256 31.823 -0.068 0.000 0.646 462 V HN 0.524 nan 8.190 nan 0.000 0.447 463 D N -0.387 119.993 120.400 -0.033 0.000 2.133 463 D HA -0.223 4.417 4.640 0.001 0.000 0.195 463 D C 2.387 178.695 176.300 0.013 0.000 0.997 463 D CA 1.615 55.609 54.000 -0.010 0.000 0.840 463 D CB -0.055 40.738 40.800 -0.013 0.000 0.947 463 D HN 0.339 nan 8.370 nan 0.000 0.452 464 R N -0.543 119.970 120.500 0.021 0.000 2.066 464 R HA -0.076 4.264 4.340 0.001 0.000 0.232 464 R C 2.595 179.011 176.300 0.193 0.000 1.131 464 R CA 1.202 57.353 56.100 0.086 0.000 0.955 464 R CB -0.372 29.986 30.300 0.097 0.000 0.851 464 R HN 0.358 nan 8.270 nan 0.000 0.432 465 M N 0.826 120.509 119.600 0.139 0.000 2.088 465 M HA -0.268 4.212 4.480 0.001 0.000 0.256 465 M C 2.201 178.586 176.300 0.142 0.000 1.071 465 M CA 1.999 57.385 55.300 0.143 0.000 1.097 465 M CB -0.396 32.200 32.600 -0.007 0.000 1.315 465 M HN 0.080 nan 8.290 nan 0.000 0.406 466 K N -0.184 120.256 120.400 0.067 0.000 2.025 466 K HA -0.119 4.201 4.320 0.001 0.000 0.207 466 K C 2.073 178.697 176.600 0.041 0.000 1.049 466 K CA 1.298 57.611 56.287 0.044 0.000 0.933 466 K CB -0.039 32.471 32.500 0.018 0.000 0.714 466 K HN 0.240 nan 8.250 nan 0.000 0.438 467 K N 0.441 120.860 120.400 0.032 0.000 2.099 467 K HA -0.054 4.266 4.320 0.001 0.000 0.203 467 K C 2.076 178.661 176.600 -0.025 0.000 1.047 467 K CA 0.844 57.134 56.287 0.004 0.000 0.963 467 K CB 0.245 32.743 32.500 -0.004 0.000 0.759 467 K HN 0.094 nan 8.250 nan 0.000 0.451 468 E N -0.567 119.610 120.200 -0.039 0.000 2.190 468 E HA -0.027 4.323 4.350 0.001 0.000 0.191 468 E C 0.448 176.828 176.600 -0.368 0.000 0.978 468 E CA 0.655 56.929 56.400 -0.210 0.000 0.839 468 E CB 0.348 29.884 29.700 -0.273 0.000 0.787 468 E HN 0.180 nan 8.360 nan 0.000 0.473 469 F N 0.514 120.456 119.950 -0.013 0.000 2.654 469 F HA 0.269 4.797 4.527 0.001 0.000 0.303 469 F C 0.092 175.885 175.800 -0.012 0.000 1.099 469 F CA -0.376 57.618 58.000 -0.011 0.000 1.270 469 F CB 0.328 39.321 39.000 -0.012 0.000 1.024 469 F HN -0.114 nan 8.300 nan 0.000 0.548 470 N N -0.205 118.555 118.700 0.100 0.000 2.693 470 N HA -0.175 4.565 4.740 0.001 0.000 0.249 470 N C -0.667 174.879 175.510 0.060 0.000 1.119 470 N CA 0.528 53.611 53.050 0.056 0.000 0.717 470 N CB -1.619 36.886 38.487 0.031 0.000 1.071 470 N HN 0.022 nan 8.380 nan 0.000 0.555 471 V N 0.494 120.454 119.914 0.077 0.000 2.508 471 V HA 0.080 4.201 4.120 0.001 0.000 0.281 471 V C 0.799 176.908 176.094 0.026 0.000 1.041 471 V CA -0.170 62.158 62.300 0.047 0.000 1.016 471 V CB 1.195 33.042 31.823 0.039 0.000 0.984 471 V HN 0.084 nan 8.190 nan 0.000 0.478 472 E N 4.107 124.317 120.200 0.016 0.000 2.167 472 E HA 0.468 4.818 4.350 0.001 0.000 0.284 472 E C -0.526 176.076 176.600 0.003 0.000 1.016 472 E CA -0.118 56.287 56.400 0.008 0.000 0.817 472 E CB 1.552 31.256 29.700 0.006 0.000 1.080 472 E HN 0.913 nan 8.360 nan 0.000 0.397 473 C N 1.482 120.782 119.300 0.001 0.000 3.082 473 C HA 0.505 4.965 4.460 0.001 0.000 0.324 473 C C -0.479 174.509 174.990 -0.003 0.000 1.210 473 C CA -1.359 57.657 59.018 -0.003 0.000 1.366 473 C CB 0.841 28.576 27.740 -0.008 0.000 1.756 473 C HN 0.488 nan 8.230 nan 0.000 0.485 474 N N 0.569 119.267 118.700 -0.003 0.000 2.499 474 N HA 0.665 5.406 4.740 0.001 0.000 0.281 474 N C -0.579 174.930 175.510 -0.001 0.000 1.098 474 N CA -0.289 52.760 53.050 -0.002 0.000 0.979 474 N CB 1.608 40.094 38.487 -0.001 0.000 1.121 474 N HN 0.691 nan 8.380 nan 0.000 0.466 475 V N 0.646 120.560 119.914 -0.000 0.000 2.581 475 V HA 0.694 4.815 4.120 0.001 0.000 0.303 475 V C 0.997 177.096 176.094 0.008 0.000 1.041 475 V CA -0.766 61.535 62.300 0.002 0.000 0.907 475 V CB 1.651 33.473 31.823 -0.002 0.000 0.994 475 V HN 0.736 nan 8.190 nan 0.000 0.442 476 G N 1.973 110.783 108.800 0.016 0.000 2.543 476 G HA2 0.628 4.589 3.960 0.001 0.000 0.290 476 G HA3 0.628 4.589 3.960 0.001 0.000 0.290 476 G C -0.048 174.865 174.900 0.023 0.000 1.310 476 G CA -0.114 44.998 45.100 0.021 0.000 1.025 476 G HN 1.083 nan 8.290 nan 0.000 0.502 477 A N 0.281 123.113 122.820 0.020 0.000 2.407 477 A HA 0.610 4.931 4.320 0.001 0.000 0.248 477 A C -1.977 175.637 177.584 0.049 0.000 1.082 477 A CA -0.877 51.165 52.037 0.008 0.000 0.785 477 A CB -0.070 18.921 19.000 -0.015 0.000 1.020 477 A HN 0.468 nan 8.150 nan 0.000 0.489 478 P HA 0.299 nan 4.420 nan 0.000 0.271 478 P C -0.751 176.662 177.300 0.188 0.000 1.218 478 P CA 0.310 63.504 63.100 0.156 0.000 0.780 478 P CB 0.412 32.279 31.700 0.279 0.000 0.901 479 M N 2.069 121.798 119.600 0.216 0.000 2.142 479 M HA 0.271 4.751 4.480 0.001 0.000 0.299 479 M C -0.123 176.302 176.300 0.208 0.000 0.960 479 M CA -1.131 54.308 55.300 0.231 0.000 0.920 479 M CB 2.101 34.842 32.600 0.234 0.000 1.541 479 M HN 0.118 nan 8.290 nan 0.000 0.429 480 V N 1.736 121.717 119.914 0.113 0.000 2.775 480 V HA 0.302 4.423 4.120 0.001 0.000 0.299 480 V C 0.384 176.359 176.094 -0.198 0.000 1.062 480 V CA 0.007 62.236 62.300 -0.119 0.000 1.063 480 V CB 1.752 33.391 31.823 -0.308 0.000 0.994 480 V HN 0.904 nan 8.190 nan 0.000 0.483 481 S N 5.219 120.859 115.700 -0.101 0.000 3.530 481 S HA 0.373 4.844 4.470 0.001 0.000 0.279 481 S C -0.330 174.213 174.600 -0.095 0.000 1.280 481 S CA -0.451 57.771 58.200 0.036 0.000 0.946 481 S CB -1.269 62.038 63.200 0.179 0.000 1.501 481 S HN 0.677 nan 8.310 nan 0.000 0.498 482 Y N 2.828 123.026 120.300 -0.171 0.000 2.335 482 Y HA 0.438 4.988 4.550 0.001 0.000 0.348 482 Y C 1.465 177.234 175.900 -0.218 0.000 1.280 482 Y CA -0.167 57.704 58.100 -0.381 0.000 1.504 482 Y CB 0.528 38.328 38.460 -1.100 0.000 1.366 482 Y HN 0.367 nan 8.280 nan 0.000 0.621 483 R N 0.191 120.680 120.500 -0.018 0.000 2.885 483 R HA 0.510 4.850 4.340 0.001 0.000 0.260 483 R C -1.227 175.056 176.300 -0.028 0.000 1.107 483 R CA -1.154 54.903 56.100 -0.073 0.000 0.978 483 R CB 1.726 31.799 30.300 -0.379 0.000 1.227 483 R HN 0.714 nan 8.270 nan 0.000 0.473 484 E N -0.402 119.774 120.200 -0.040 0.000 2.369 484 E HA 0.545 4.896 4.350 0.001 0.000 0.270 484 E C -0.923 175.629 176.600 -0.081 0.000 0.909 484 E CA -0.662 55.725 56.400 -0.021 0.000 0.775 484 E CB 2.736 32.447 29.700 0.018 0.000 1.270 484 E HN 0.407 nan 8.360 nan 0.000 0.445 485 T N 0.023 114.555 114.554 -0.037 0.000 2.787 485 T HA 0.551 4.902 4.350 0.001 0.000 0.297 485 T C -1.740 173.019 174.700 0.098 0.000 1.221 485 T CA -0.603 61.461 62.100 -0.060 0.000 1.006 485 T CB 0.550 69.411 68.868 -0.013 0.000 1.328 485 T HN 0.210 nan 8.240 nan 0.000 0.509 486 F N 2.087 122.058 119.950 0.035 0.000 2.399 486 F HA 0.565 5.093 4.527 0.001 0.000 0.334 486 F C 1.511 177.335 175.800 0.040 0.000 1.097 486 F CA -1.296 56.723 58.000 0.032 0.000 1.076 486 F CB 1.622 40.650 39.000 0.047 0.000 1.162 486 F HN 0.479 nan 8.300 nan 0.000 0.495 487 K N 0.523 121.054 120.400 0.219 0.000 2.354 487 K HA 0.151 4.471 4.320 0.001 0.000 0.194 487 K C 0.242 176.895 176.600 0.088 0.000 1.038 487 K CA 0.353 56.715 56.287 0.124 0.000 1.052 487 K CB 0.469 33.018 32.500 0.081 0.000 0.861 487 K HN 0.646 nan 8.250 nan 0.000 0.535 488 S N -0.751 114.988 115.700 0.065 0.000 2.794 488 S HA 0.554 5.025 4.470 0.001 0.000 0.299 488 S C -0.522 174.100 174.600 0.037 0.000 1.179 488 S CA -0.780 57.441 58.200 0.036 0.000 0.838 488 S CB 2.014 65.214 63.200 -0.001 0.000 1.206 488 S HN -0.072 nan 8.310 nan 0.000 0.523 489 S N -0.156 115.568 115.700 0.040 0.000 2.621 489 S HA 0.973 5.444 4.470 0.001 0.000 0.302 489 S C -0.566 174.065 174.600 0.052 0.000 1.093 489 S CA -0.431 57.816 58.200 0.077 0.000 1.017 489 S CB 1.362 64.614 63.200 0.086 0.000 1.077 489 S HN 1.411 nan 8.310 nan 0.000 0.517 490 A N 1.482 124.369 122.820 0.111 0.000 2.604 490 A HA 0.615 4.936 4.320 0.001 0.000 0.295 490 A C -1.618 176.089 177.584 0.205 0.000 1.067 490 A CA -0.867 51.236 52.037 0.110 0.000 0.683 490 A CB 1.114 20.139 19.000 0.041 0.000 1.281 490 A HN 0.695 nan 8.150 nan 0.000 0.407 491 Q N 0.255 120.166 119.800 0.185 0.000 2.243 491 Q HA 0.590 4.931 4.340 0.001 0.000 0.252 491 Q C -0.348 175.797 176.000 0.241 0.000 0.909 491 Q CA -0.664 55.299 55.803 0.267 0.000 0.922 491 Q CB 2.124 31.022 28.738 0.266 0.000 1.215 491 Q HN 1.027 nan 8.270 nan 0.000 0.427 492 V N -0.735 119.336 119.914 0.261 0.000 3.049 492 V HA 0.512 4.633 4.120 0.001 0.000 0.309 492 V C -1.141 174.978 176.094 0.043 0.000 1.148 492 V CA -1.118 61.277 62.300 0.158 0.000 0.990 492 V CB 1.935 33.865 31.823 0.178 0.000 1.039 492 V HN 0.812 nan 8.190 nan 0.000 0.430 493 Q N 1.176 120.919 119.800 -0.095 0.000 2.256 493 Q HA 0.719 5.060 4.340 0.001 0.000 0.257 493 Q C -0.211 175.707 176.000 -0.138 0.000 0.936 493 Q CA -0.271 55.343 55.803 -0.314 0.000 0.903 493 Q CB 1.853 30.300 28.738 -0.486 0.000 1.263 493 Q HN 1.288 nan 8.270 nan 0.000 0.440 494 G N 3.217 111.943 108.800 -0.124 0.000 2.557 494 G HA2 0.445 4.405 3.960 0.001 0.000 0.310 494 G HA3 0.445 4.405 3.960 0.001 0.000 0.310 494 G C -1.569 173.269 174.900 -0.103 0.000 1.328 494 G CA -0.460 44.603 45.100 -0.061 0.000 0.945 494 G HN 0.529 nan 8.290 nan 0.000 0.494 495 K N 1.960 122.311 120.400 -0.082 0.000 2.471 495 K HA 0.618 4.938 4.320 0.001 0.000 0.252 495 K C -2.015 174.565 176.600 -0.033 0.000 0.938 495 K CA -0.901 55.316 56.287 -0.117 0.000 0.796 495 K CB 1.815 34.259 32.500 -0.094 0.000 1.161 495 K HN 0.302 nan 8.250 nan 0.000 0.425 496 F N 2.858 122.629 119.950 -0.299 0.000 2.499 496 F HA 0.468 4.996 4.527 0.001 0.000 0.333 496 F C -1.220 174.469 175.800 -0.186 0.000 1.138 496 F CA -0.381 57.486 58.000 -0.221 0.000 0.945 496 F CB 1.998 40.859 39.000 -0.233 0.000 1.181 496 F HN 0.369 nan 8.300 nan 0.000 0.435 497 S N 7.279 122.598 115.700 -0.636 0.000 2.620 497 S HA 0.585 5.055 4.470 0.001 0.000 0.244 497 S C -1.060 173.252 174.600 -0.481 0.000 1.192 497 S CA -0.482 57.473 58.200 -0.408 0.000 1.148 497 S CB 0.263 63.428 63.200 -0.059 0.000 1.106 497 S HN 0.912 nan 8.310 nan 0.000 0.474 498 R N 2.208 122.354 120.500 -0.589 0.000 2.740 498 R HA 0.440 4.781 4.340 0.001 0.000 0.273 498 R C -0.890 175.282 176.300 -0.214 0.000 0.998 498 R CA -0.436 55.428 56.100 -0.392 0.000 0.900 498 R CB 1.355 31.372 30.300 -0.471 0.000 1.223 498 R HN 0.547 nan 8.270 nan 0.000 0.466 499 Q N 1.327 121.055 119.800 -0.119 0.000 2.233 499 Q HA 0.185 4.526 4.340 0.001 0.000 0.340 499 Q C -0.953 175.029 176.000 -0.030 0.000 0.899 499 Q CA -0.252 55.512 55.803 -0.065 0.000 1.139 499 Q CB 1.534 30.234 28.738 -0.063 0.000 1.273 499 Q HN 0.562 nan 8.270 nan 0.000 0.431 500 S N -0.726 114.967 115.700 -0.012 0.000 2.438 500 S HA 0.700 5.171 4.470 0.001 0.000 0.316 500 S C 0.196 174.812 174.600 0.026 0.000 1.084 500 S CA -0.806 57.399 58.200 0.009 0.000 1.107 500 S CB 1.540 64.749 63.200 0.016 0.000 0.981 500 S HN 0.273 nan 8.310 nan 0.000 0.466 501 G N 0.535 109.347 108.800 0.020 0.000 3.171 501 G HA2 0.608 4.568 3.960 0.001 0.000 0.305 501 G HA3 0.608 4.568 3.960 0.001 0.000 0.305 501 G C 0.396 175.302 174.900 0.009 0.000 1.584 501 G CA -0.279 44.827 45.100 0.009 0.000 1.070 501 G HN 1.406 nan 8.290 nan 0.000 0.535 502 G N 0.912 109.715 108.800 0.006 0.000 3.897 502 G HA2 0.166 4.126 3.960 0.001 0.000 0.207 502 G HA3 0.166 4.126 3.960 0.001 0.000 0.207 502 G C 0.151 175.055 174.900 0.006 0.000 0.872 502 G CA 0.074 45.178 45.100 0.007 0.000 0.872 502 G HN 0.801 nan 8.290 nan 0.000 0.442 503 R N -0.484 120.021 120.500 0.007 0.000 2.728 503 R HA 0.516 4.857 4.340 0.001 0.000 0.274 503 R C -0.512 175.788 176.300 -0.001 0.000 1.032 503 R CA -0.152 55.950 56.100 0.004 0.000 0.866 503 R CB 0.563 30.875 30.300 0.019 0.000 1.263 503 R HN 0.442 nan 8.270 nan 0.000 0.475 504 G N 1.262 110.053 108.800 -0.015 0.000 2.432 504 G HA2 0.275 4.236 3.960 0.001 0.000 0.257 504 G HA3 0.275 4.236 3.960 0.001 0.000 0.257 504 G C -0.857 174.050 174.900 0.012 0.000 1.238 504 G CA -0.222 44.858 45.100 -0.033 0.000 0.838 504 G HN 0.377 nan 8.290 nan 0.000 0.547 505 Q N 0.084 119.879 119.800 -0.008 0.000 2.337 505 Q HA 0.404 4.745 4.340 0.001 0.000 0.266 505 Q C -1.846 174.166 176.000 0.021 0.000 1.023 505 Q CA -0.714 55.130 55.803 0.068 0.000 0.829 505 Q CB 3.013 31.875 28.738 0.206 0.000 1.306 505 Q HN 0.627 nan 8.270 nan 0.000 0.449 506 Y N -0.187 120.078 120.300 -0.059 0.000 2.396 506 Y HA 0.591 5.141 4.550 0.001 0.000 0.332 506 Y C -1.013 174.759 175.900 -0.213 0.000 1.034 506 Y CA -0.424 57.602 58.100 -0.124 0.000 1.057 506 Y CB 1.972 40.376 38.460 -0.093 0.000 1.220 506 Y HN 0.677 nan 8.280 nan 0.000 0.440 507 G N 3.700 111.920 108.800 -0.968 0.000 2.753 507 G HA2 0.474 4.434 3.960 0.001 0.000 0.297 507 G HA3 0.474 4.434 3.960 0.001 0.000 0.297 507 G C -2.495 171.773 174.900 -1.052 0.000 1.430 507 G CA -0.693 43.586 45.100 -1.368 0.000 1.040 507 G HN 0.501 nan 8.290 nan 0.000 0.530 508 D N 0.206 120.124 120.400 -0.804 0.000 2.763 508 D HA 0.492 5.132 4.640 0.001 0.000 0.235 508 D C -0.546 175.765 176.300 0.018 0.000 1.334 508 D CA -0.277 53.536 54.000 -0.312 0.000 0.950 508 D CB 1.789 42.463 40.800 -0.210 0.000 1.433 508 D HN 0.783 nan 8.370 nan 0.000 0.580 509 V N 1.051 120.971 119.914 0.010 0.000 2.876 509 V HA 0.683 4.804 4.120 0.001 0.000 0.312 509 V C -0.957 175.121 176.094 -0.025 0.000 1.085 509 V CA -0.644 61.721 62.300 0.109 0.000 0.945 509 V CB 2.099 34.017 31.823 0.159 0.000 1.017 509 V HN 0.612 nan 8.190 nan 0.000 0.428 510 H N 4.235 123.196 119.070 -0.181 0.000 2.481 510 H HA 0.692 5.249 4.556 0.001 0.000 0.333 510 H C -1.070 173.973 175.328 -0.475 0.000 1.066 510 H CA -0.491 55.348 56.048 -0.348 0.000 1.209 510 H CB 2.341 31.734 29.762 -0.615 0.000 1.445 510 H HN 0.618 nan 8.280 nan 0.000 0.488 511 I N 2.189 122.725 120.570 -0.057 0.000 2.533 511 I HA 0.109 4.279 4.170 0.001 0.000 0.290 511 I C -0.030 176.172 176.117 0.141 0.000 1.056 511 I CA -0.593 60.695 61.300 -0.020 0.000 1.057 511 I CB 2.870 40.770 38.000 -0.167 0.000 1.240 511 I HN 0.502 nan 8.210 nan 0.000 0.423 512 E N 6.118 126.432 120.200 0.190 0.000 2.130 512 E HA 0.367 4.718 4.350 0.001 0.000 0.284 512 E C -1.600 174.978 176.600 -0.036 0.000 1.018 512 E CA -0.502 55.987 56.400 0.149 0.000 0.817 512 E CB 0.846 30.606 29.700 0.100 0.000 1.078 512 E HN 0.323 nan 8.360 nan 0.000 0.396 513 F N 2.395 122.459 119.950 0.189 0.000 2.420 513 F HA 0.283 4.811 4.527 0.001 0.000 0.342 513 F C 0.677 176.594 175.800 0.195 0.000 1.113 513 F CA -0.294 57.847 58.000 0.235 0.000 1.059 513 F CB 1.932 41.134 39.000 0.337 0.000 1.128 513 F HN 0.277 nan 8.300 nan 0.000 0.475 514 T N 1.448 116.213 114.554 0.351 0.000 2.912 514 T HA 0.559 4.909 4.350 0.001 0.000 0.299 514 T C -3.170 171.682 174.700 0.254 0.000 1.052 514 T CA -2.857 59.392 62.100 0.247 0.000 0.996 514 T CB 2.134 71.080 68.868 0.131 0.000 1.070 514 T HN 0.081 nan 8.240 nan 0.000 0.465 515 P HA 0.269 nan 4.420 nan 0.000 0.268 515 P C -0.443 176.935 177.300 0.130 0.000 1.204 515 P CA -0.289 62.926 63.100 0.191 0.000 0.768 515 P CB 0.399 32.197 31.700 0.164 0.000 0.842 516 N N 2.024 120.793 118.700 0.115 0.000 2.476 516 N HA 0.095 4.836 4.740 0.001 0.000 0.275 516 N C -0.234 175.320 175.510 0.073 0.000 1.190 516 N CA -0.482 52.619 53.050 0.084 0.000 0.977 516 N CB 0.543 39.080 38.487 0.084 0.000 1.200 516 N HN 0.269 nan 8.380 nan 0.000 0.515 517 E N 0.361 120.596 120.200 0.059 0.000 2.568 517 E HA -0.047 4.304 4.350 0.001 0.000 0.262 517 E C -0.182 176.458 176.600 0.068 0.000 0.961 517 E CA 0.594 57.027 56.400 0.055 0.000 0.945 517 E CB -0.332 29.395 29.700 0.045 0.000 0.924 517 E HN 0.440 nan 8.360 nan 0.000 0.467 518 T N 2.041 116.636 114.554 0.068 0.000 2.849 518 T HA 0.199 4.550 4.350 0.001 0.000 0.289 518 T C 1.331 176.094 174.700 0.105 0.000 1.010 518 T CA 0.942 63.096 62.100 0.091 0.000 1.161 518 T CB 0.187 69.104 68.868 0.083 0.000 0.989 518 T HN 0.725 nan 8.240 nan 0.000 0.523 519 G N 2.392 111.277 108.800 0.141 0.000 2.225 519 G HA2 -0.250 3.710 3.960 0.001 0.000 0.254 519 G HA3 -0.250 3.710 3.960 0.001 0.000 0.254 519 G C 1.022 176.001 174.900 0.132 0.000 0.988 519 G CA 0.157 45.354 45.100 0.163 0.000 0.625 519 G HN 1.090 nan 8.290 nan 0.000 0.527 520 A N 0.255 123.135 122.820 0.101 0.000 2.169 520 A HA 0.582 4.903 4.320 0.001 0.000 0.212 520 A C 2.428 180.065 177.584 0.088 0.000 1.153 520 A CA 1.882 53.969 52.037 0.083 0.000 0.756 520 A CB -0.531 18.506 19.000 0.061 0.000 0.813 520 A HN 2.650 nan 8.150 nan 0.000 0.471 521 G N -1.115 107.749 108.800 0.106 0.000 2.642 521 G HA2 -0.123 3.837 3.960 0.001 0.000 0.231 521 G HA3 -0.123 3.837 3.960 0.001 0.000 0.231 521 G C -0.252 174.755 174.900 0.179 0.000 1.338 521 G CA -0.091 45.087 45.100 0.130 0.000 0.883 521 G HN 1.121 nan 8.290 nan 0.000 0.570 522 F N 2.290 122.263 119.950 0.038 0.000 2.396 522 F HA 0.677 5.205 4.527 0.001 0.000 0.343 522 F C 0.384 176.227 175.800 0.072 0.000 1.104 522 F CA -0.576 57.456 58.000 0.053 0.000 1.161 522 F CB 1.071 40.099 39.000 0.046 0.000 1.146 522 F HN 0.501 nan 8.300 nan 0.000 0.522 523 E N 6.520 126.336 120.200 -0.641 0.000 2.241 523 E HA 0.220 4.570 4.350 0.001 0.000 0.263 523 E C -1.844 174.338 176.600 -0.696 0.000 0.882 523 E CA -0.730 55.337 56.400 -0.554 0.000 0.769 523 E CB 2.268 31.835 29.700 -0.222 0.000 1.185 523 E HN 0.527 nan 8.360 nan 0.000 0.415 524 F N 2.710 122.230 119.950 -0.717 0.000 2.444 524 F HA 0.319 4.847 4.527 0.001 0.000 0.342 524 F C -0.371 175.305 175.800 -0.207 0.000 1.121 524 F CA -0.599 57.146 58.000 -0.425 0.000 0.997 524 F CB 1.168 40.008 39.000 -0.266 0.000 1.130 524 F HN 0.363 nan 8.300 nan 0.000 0.454 525 E N 4.812 124.490 120.200 -0.871 0.000 2.176 525 E HA 0.215 4.566 4.350 0.001 0.000 0.267 525 E C -1.446 174.671 176.600 -0.804 0.000 0.893 525 E CA -0.909 55.122 56.400 -0.616 0.000 0.761 525 E CB 1.036 30.530 29.700 -0.343 0.000 1.133 525 E HN 0.598 nan 8.360 nan 0.000 0.409 526 N N 3.428 121.859 118.700 -0.448 0.000 2.437 526 N HA 0.239 4.980 4.740 0.001 0.000 0.243 526 N C -0.766 174.661 175.510 -0.139 0.000 1.041 526 N CA -0.100 52.802 53.050 -0.248 0.000 0.940 526 N CB 1.309 39.776 38.487 -0.032 0.000 1.133 526 N HN 0.498 nan 8.380 nan 0.000 0.506 527 A N 4.776 127.533 122.820 -0.105 0.000 2.574 527 A HA 0.270 4.591 4.320 0.001 0.000 0.283 527 A C 0.266 177.861 177.584 0.018 0.000 1.270 527 A CA -0.424 51.594 52.037 -0.032 0.000 0.945 527 A CB -0.192 18.800 19.000 -0.013 0.000 1.127 527 A HN 0.564 nan 8.150 nan 0.000 0.522 528 I N 1.347 121.923 120.570 0.009 0.000 2.533 528 I HA 0.158 4.329 4.170 0.001 0.000 0.284 528 I C -0.164 175.962 176.117 0.015 0.000 1.109 528 I CA 0.447 61.762 61.300 0.024 0.000 1.412 528 I CB 0.776 38.787 38.000 0.018 0.000 1.396 528 I HN -0.039 nan 8.210 nan 0.000 0.543 529 V N 4.259 124.188 119.914 0.026 0.000 2.735 529 V HA 0.661 4.782 4.120 0.001 0.000 0.310 529 V C 0.701 176.811 176.094 0.026 0.000 1.061 529 V CA -0.226 62.085 62.300 0.018 0.000 0.913 529 V CB 1.649 33.482 31.823 0.017 0.000 1.005 529 V HN 0.997 nan 8.190 nan 0.000 0.428 530 G N 2.720 111.532 108.800 0.020 0.000 2.160 530 G HA2 0.023 3.983 3.960 0.001 0.000 0.251 530 G HA3 0.023 3.983 3.960 0.001 0.000 0.251 530 G C 1.076 176.000 174.900 0.040 0.000 1.008 530 G CA 0.442 45.559 45.100 0.029 0.000 0.724 530 G HN 2.422 nan 8.290 nan 0.000 0.514 531 G N -1.887 106.925 108.800 0.021 0.000 2.283 531 G HA2 -0.087 3.874 3.960 0.001 0.000 0.280 531 G HA3 -0.087 3.874 3.960 0.001 0.000 0.280 531 G C 1.675 176.615 174.900 0.067 0.000 1.029 531 G CA 1.776 46.880 45.100 0.007 0.000 0.840 531 G HN 2.188 nan 8.290 nan 0.000 0.505 532 V N -3.479 116.497 119.914 0.104 0.000 2.626 532 V HA 0.234 4.354 4.120 0.001 0.000 0.252 532 V C 1.237 177.479 176.094 0.248 0.000 1.067 532 V CA 1.454 63.871 62.300 0.194 0.000 1.081 532 V CB -0.129 31.780 31.823 0.144 0.000 0.686 532 V HN 0.571 nan 8.190 nan 0.000 0.468 533 V N 2.252 122.234 119.914 0.114 0.000 2.378 533 V HA 0.482 4.602 4.120 0.001 0.000 0.288 533 V C -2.565 173.454 176.094 -0.126 0.000 1.016 533 V CA -1.867 60.458 62.300 0.041 0.000 0.840 533 V CB 1.221 33.063 31.823 0.032 0.000 0.994 533 V HN 0.271 nan 8.190 nan 0.000 0.431 534 P HA 0.172 nan 4.420 nan 0.000 0.268 534 P C 0.805 177.919 177.300 -0.309 0.000 1.204 534 P CA -0.386 62.505 63.100 -0.349 0.000 0.768 534 P CB 0.507 31.905 31.700 -0.502 0.000 0.842 535 R N 3.529 123.877 120.500 -0.253 0.000 2.139 535 R HA -0.230 4.111 4.340 0.001 0.000 0.243 535 R C 1.471 177.614 176.300 -0.262 0.000 1.145 535 R CA 1.895 57.876 56.100 -0.199 0.000 0.976 535 R CB -0.970 29.244 30.300 -0.144 0.000 0.866 535 R HN 0.548 nan 8.270 nan 0.000 0.449 536 E N 0.243 120.186 120.200 -0.428 0.000 2.338 536 E HA -0.180 4.170 4.350 0.001 0.000 0.197 536 E C 0.561 176.860 176.600 -0.501 0.000 1.007 536 E CA 0.827 56.932 56.400 -0.492 0.000 0.849 536 E CB -0.098 29.223 29.700 -0.632 0.000 0.774 536 E HN 0.592 nan 8.360 nan 0.000 0.506 537 Y N 0.047 120.198 120.300 -0.248 0.000 2.444 537 Y HA 0.338 4.888 4.550 0.001 0.000 0.249 537 Y C 1.763 177.468 175.900 -0.326 0.000 1.134 537 Y CA -0.783 57.115 58.100 -0.338 0.000 1.261 537 Y CB 0.112 38.135 38.460 -0.729 0.000 1.143 537 Y HN -0.018 nan 8.280 nan 0.000 0.523 538 I N 1.140 121.636 120.570 -0.122 0.000 2.226 538 I HA -0.202 3.969 4.170 0.001 0.000 0.245 538 I C -0.568 175.517 176.117 -0.054 0.000 1.100 538 I CA 1.165 62.441 61.300 -0.039 0.000 1.374 538 I CB -1.301 36.715 38.000 0.026 0.000 1.057 538 I HN 0.093 nan 8.210 nan 0.000 0.413 539 P HA -0.095 nan 4.420 nan 0.000 0.218 539 P C 1.679 178.914 177.300 -0.108 0.000 1.148 539 P CA 1.312 64.353 63.100 -0.098 0.000 0.822 539 P CB -0.001 31.664 31.700 -0.058 0.000 0.784 540 S N -0.690 114.986 115.700 -0.039 0.000 2.382 540 S HA -0.102 4.369 4.470 0.001 0.000 0.228 540 S C 1.997 176.592 174.600 -0.009 0.000 1.027 540 S CA 1.146 59.350 58.200 0.007 0.000 0.991 540 S CB -1.226 62.037 63.200 0.105 0.000 0.823 540 S HN -0.016 nan 8.310 nan 0.000 0.469 541 V N 1.852 121.756 119.914 -0.016 0.000 2.295 541 V HA -0.212 3.909 4.120 0.001 0.000 0.246 541 V C 2.506 178.490 176.094 -0.183 0.000 1.049 541 V CA 2.039 64.343 62.300 0.007 0.000 1.024 541 V CB -0.624 31.275 31.823 0.126 0.000 0.648 541 V HN 0.537 nan 8.190 nan 0.000 0.447 542 E N 0.285 120.166 120.200 -0.531 0.000 2.051 542 E HA -0.225 4.126 4.350 0.001 0.000 0.192 542 E C 2.219 178.683 176.600 -0.227 0.000 0.991 542 E CA 1.419 57.408 56.400 -0.685 0.000 0.799 542 E CB -0.243 28.890 29.700 -0.945 0.000 0.748 542 E HN 0.558 nan 8.360 nan 0.000 0.449 543 A N 0.575 123.297 122.820 -0.163 0.000 1.930 543 A HA -0.045 4.276 4.320 0.001 0.000 0.217 543 A C 2.367 179.903 177.584 -0.080 0.000 1.175 543 A CA 1.526 53.508 52.037 -0.092 0.000 0.627 543 A CB -0.969 17.993 19.000 -0.063 0.000 0.815 543 A HN 0.450 nan 8.150 nan 0.000 0.443 544 G N -0.172 108.591 108.800 -0.062 0.000 2.402 544 G HA2 -0.127 3.833 3.960 0.001 0.000 0.216 544 G HA3 -0.127 3.833 3.960 0.001 0.000 0.216 544 G C 1.545 176.418 174.900 -0.044 0.000 1.162 544 G CA 0.941 46.014 45.100 -0.045 0.000 0.777 544 G HN 0.420 nan 8.290 nan 0.000 0.539 545 L N -0.091 121.118 121.223 -0.024 0.000 2.017 545 L HA -0.078 4.263 4.340 0.001 0.000 0.208 545 L C 2.991 179.749 176.870 -0.186 0.000 1.073 545 L CA 1.341 56.173 54.840 -0.012 0.000 0.745 545 L CB -0.335 41.799 42.059 0.125 0.000 0.894 545 L HN 0.177 nan 8.230 nan 0.000 0.432 546 K N -0.135 120.114 120.400 -0.252 0.000 2.032 546 K HA -0.201 4.119 4.320 0.001 0.000 0.209 546 K C 1.769 178.241 176.600 -0.212 0.000 1.048 546 K CA 1.753 57.843 56.287 -0.328 0.000 0.927 546 K CB -0.178 32.194 32.500 -0.214 0.000 0.712 546 K HN 0.303 nan 8.250 nan 0.000 0.441 547 D N 0.359 120.675 120.400 -0.141 0.000 2.097 547 D HA -0.125 4.515 4.640 0.001 0.000 0.197 547 D C 1.844 178.080 176.300 -0.107 0.000 0.984 547 D CA 1.319 55.253 54.000 -0.109 0.000 0.826 547 D CB -0.240 40.509 40.800 -0.084 0.000 0.973 547 D HN 0.200 nan 8.370 nan 0.000 0.460 548 A N 0.774 123.535 122.820 -0.100 0.000 1.933 548 A HA -0.167 4.154 4.320 0.001 0.000 0.218 548 A C 2.279 179.798 177.584 -0.107 0.000 1.175 548 A CA 1.377 53.361 52.037 -0.088 0.000 0.628 548 A CB -0.574 18.390 19.000 -0.059 0.000 0.814 548 A HN 0.162 nan 8.150 nan 0.000 0.444 549 M N -1.039 118.473 119.600 -0.147 0.000 2.159 549 M HA -0.157 4.323 4.480 0.001 0.000 0.263 549 M C 1.984 178.193 176.300 -0.152 0.000 1.063 549 M CA 1.451 56.644 55.300 -0.178 0.000 1.110 549 M CB -0.431 32.008 32.600 -0.268 0.000 1.374 549 M HN 0.476 nan 8.290 nan 0.000 0.411 550 E N 0.477 120.592 120.200 -0.142 0.000 2.171 550 E HA -0.187 4.163 4.350 0.001 0.000 0.197 550 E C 1.308 177.852 176.600 -0.093 0.000 0.997 550 E CA 0.907 57.239 56.400 -0.113 0.000 0.810 550 E CB -0.144 29.493 29.700 -0.106 0.000 0.738 550 E HN 0.525 nan 8.360 nan 0.000 0.467 551 N N 0.004 118.648 118.700 -0.094 0.000 2.467 551 N HA 0.018 4.758 4.740 0.001 0.000 0.184 551 N C 0.703 176.162 175.510 -0.085 0.000 1.106 551 N CA 0.883 53.880 53.050 -0.088 0.000 0.892 551 N CB 0.592 39.029 38.487 -0.083 0.000 0.969 551 N HN 0.166 nan 8.380 nan 0.000 0.454 552 G N 0.133 108.887 108.800 -0.077 0.000 2.877 552 G HA2 -0.244 3.717 3.960 0.001 0.000 0.279 552 G HA3 -0.244 3.717 3.960 0.001 0.000 0.279 552 G C 0.564 175.437 174.900 -0.045 0.000 1.431 552 G CA 0.091 45.158 45.100 -0.055 0.000 0.883 552 G HN 0.457 nan 8.290 nan 0.000 0.547 553 V N -3.731 116.176 119.914 -0.012 0.000 3.408 553 V HA 0.583 4.704 4.120 0.001 0.000 0.263 553 V C 1.828 177.933 176.094 0.018 0.000 1.503 553 V CA 1.552 63.858 62.300 0.010 0.000 1.046 553 V CB 0.411 32.272 31.823 0.063 0.000 0.851 553 V HN 1.580 nan 8.190 nan 0.000 0.435 554 L N 0.775 122.017 121.223 0.031 0.000 2.600 554 L HA 0.844 5.185 4.340 0.001 0.000 0.213 554 L C 1.603 178.487 176.870 0.023 0.000 1.045 554 L CA 1.729 56.591 54.840 0.036 0.000 0.863 554 L CB 0.683 42.779 42.059 0.062 0.000 1.189 554 L HN 0.277 nan 8.230 nan 0.000 0.484 555 A N -1.457 121.383 122.820 0.032 0.000 2.569 555 A HA 0.599 4.920 4.320 0.001 0.000 0.284 555 A C 1.145 178.590 177.584 -0.231 0.000 0.948 555 A CA 0.330 52.361 52.037 -0.010 0.000 1.007 555 A CB -0.253 18.828 19.000 0.134 0.000 1.232 555 A HN 0.811 nan 8.150 nan 0.000 0.530 556 G N -1.146 107.533 108.800 -0.203 0.000 2.141 556 G HA2 -0.283 3.677 3.960 0.001 0.000 0.242 556 G HA3 -0.283 3.677 3.960 0.001 0.000 0.242 556 G C -0.184 174.479 174.900 -0.396 0.000 0.982 556 G CA 0.519 45.431 45.100 -0.315 0.000 0.662 556 G HN 0.559 nan 8.290 nan 0.000 0.527 557 Y N 0.122 120.416 120.300 -0.010 0.000 2.361 557 Y HA 0.548 5.099 4.550 0.001 0.000 0.332 557 Y C -1.907 173.964 175.900 -0.048 0.000 1.101 557 Y CA -2.792 55.306 58.100 -0.003 0.000 1.137 557 Y CB 1.138 39.630 38.460 0.054 0.000 1.207 557 Y HN -0.084 nan 8.280 nan 0.000 0.463 558 P HA -0.091 nan 4.420 nan 0.000 0.261 558 P C -0.699 176.565 177.300 -0.061 0.000 1.173 558 P CA 0.138 63.225 63.100 -0.023 0.000 0.760 558 P CB 0.415 32.094 31.700 -0.034 0.000 0.783 559 L N 6.084 127.235 121.223 -0.119 0.000 2.331 559 L HA 0.469 4.810 4.340 0.001 0.000 0.278 559 L C 0.016 176.777 176.870 -0.182 0.000 1.106 559 L CA -0.051 54.678 54.840 -0.184 0.000 0.824 559 L CB -0.195 41.692 42.059 -0.286 0.000 1.142 559 L HN 0.314 nan 8.230 nan 0.000 0.443 560 I N -0.421 120.051 120.570 -0.164 0.000 3.264 560 I HA 0.566 4.737 4.170 0.001 0.000 0.315 560 I C -0.919 175.170 176.117 -0.046 0.000 1.154 560 I CA -0.944 60.297 61.300 -0.098 0.000 0.962 560 I CB 2.020 39.946 38.000 -0.123 0.000 1.265 560 I HN 0.458 nan 8.210 nan 0.000 0.463 561 D N 1.106 121.528 120.400 0.038 0.000 2.697 561 D HA -0.099 4.541 4.640 0.001 0.000 0.238 561 D C -0.875 175.477 176.300 0.087 0.000 1.152 561 D CA 0.580 54.623 54.000 0.072 0.000 0.666 561 D CB -0.994 39.839 40.800 0.055 0.000 1.037 561 D HN 0.391 nan 8.370 nan 0.000 0.423 562 V N 0.191 120.194 119.914 0.150 0.000 2.656 562 V HA 0.359 4.480 4.120 0.001 0.000 0.307 562 V C 0.461 176.728 176.094 0.288 0.000 1.051 562 V CA -0.887 61.533 62.300 0.201 0.000 0.893 562 V CB 2.623 34.508 31.823 0.102 0.000 0.999 562 V HN -0.048 nan 8.190 nan 0.000 0.426 563 K N 2.737 123.269 120.400 0.221 0.000 2.123 563 K HA 0.883 5.203 4.320 0.001 0.000 0.259 563 K C -0.584 176.098 176.600 0.137 0.000 0.960 563 K CA -0.569 55.783 56.287 0.109 0.000 0.872 563 K CB 2.256 34.774 32.500 0.029 0.000 1.079 563 K HN 0.793 nan 8.250 nan 0.000 0.440 564 A N 2.557 125.379 122.820 0.004 0.000 2.375 564 A HA 0.354 4.674 4.320 0.001 0.000 0.295 564 A C -1.208 176.225 177.584 -0.251 0.000 1.066 564 A CA -0.734 51.218 52.037 -0.140 0.000 0.722 564 A CB 1.111 20.143 19.000 0.053 0.000 1.206 564 A HN 0.640 nan 8.150 nan 0.000 0.435 565 K N 3.352 123.602 120.400 -0.250 0.000 2.450 565 K HA 0.494 4.815 4.320 0.001 0.000 0.257 565 K C -1.681 174.852 176.600 -0.112 0.000 0.953 565 K CA -0.688 55.449 56.287 -0.249 0.000 0.844 565 K CB 1.270 33.693 32.500 -0.128 0.000 1.103 565 K HN 0.639 nan 8.250 nan 0.000 0.429 566 L N 6.590 127.681 121.223 -0.220 0.000 2.278 566 L HA 0.206 4.547 4.340 0.001 0.000 0.287 566 L C -0.370 176.509 176.870 0.014 0.000 1.072 566 L CA 0.243 55.047 54.840 -0.060 0.000 0.819 566 L CB 0.238 42.321 42.059 0.040 0.000 1.176 566 L HN 0.745 nan 8.230 nan 0.000 0.435 567 Y N 1.387 121.685 120.300 -0.002 0.000 2.540 567 Y HA 0.574 5.125 4.550 0.001 0.000 0.257 567 Y C -0.198 175.706 175.900 0.006 0.000 1.090 567 Y CA -0.737 57.355 58.100 -0.014 0.000 1.242 567 Y CB 0.269 38.708 38.460 -0.034 0.000 1.325 567 Y HN 0.506 nan 8.280 nan 0.000 0.544 568 D N -0.560 119.631 120.400 -0.349 0.000 2.665 568 D HA 0.590 5.231 4.640 0.001 0.000 0.287 568 D C -0.303 175.985 176.300 -0.020 0.000 1.266 568 D CA 0.596 54.469 54.000 -0.211 0.000 0.830 568 D CB 1.958 42.469 40.800 -0.482 0.000 1.356 568 D HN 0.509 nan 8.370 nan 0.000 0.437 569 G N -0.368 108.498 108.800 0.109 0.000 2.352 569 G HA2 0.529 4.490 3.960 0.001 0.000 0.283 569 G HA3 0.529 4.490 3.960 0.001 0.000 0.283 569 G C -1.409 173.663 174.900 0.287 0.000 1.308 569 G CA 0.290 45.556 45.100 0.278 0.000 0.892 569 G HN 1.207 nan 8.290 nan 0.000 0.504 570 S N -1.575 114.342 115.700 0.362 0.000 2.656 570 S HA 0.939 5.410 4.470 0.001 0.000 0.273 570 S C -0.989 174.004 174.600 0.655 0.000 1.168 570 S CA -0.005 58.462 58.200 0.445 0.000 0.817 570 S CB 2.089 65.499 63.200 0.350 0.000 1.146 570 S HN 2.494 nan 8.310 nan 0.000 0.475 571 Y N -1.363 119.251 120.300 0.523 0.000 2.713 571 Y HA 0.728 5.278 4.550 0.001 0.000 0.335 571 Y C -1.390 174.771 175.900 0.435 0.000 1.222 571 Y CA -1.067 57.377 58.100 0.574 0.000 1.061 571 Y CB 0.781 39.546 38.460 0.507 0.000 1.314 571 Y HN 1.079 nan 8.280 nan 0.000 0.453 572 H N 1.752 120.982 119.070 0.268 0.000 2.717 572 H HA 0.240 4.797 4.556 0.001 0.000 0.366 572 H C -0.506 175.018 175.328 0.327 0.000 1.132 572 H CA -0.155 55.901 56.048 0.013 0.000 1.180 572 H CB 2.322 32.030 29.762 -0.090 0.000 1.678 572 H HN 0.978 nan 8.280 nan 0.000 0.537 573 D N 2.939 123.104 120.400 -0.393 0.000 2.264 573 D HA -0.140 4.501 4.640 0.001 0.000 0.208 573 D C 1.590 177.905 176.300 0.026 0.000 0.966 573 D CA 1.528 55.521 54.000 -0.011 0.000 0.864 573 D CB -0.132 40.656 40.800 -0.020 0.000 0.933 573 D HN 0.288 nan 8.370 nan 0.000 0.499 574 V N -2.344 117.561 119.914 -0.015 0.000 2.908 574 V HA 0.106 4.227 4.120 0.001 0.000 0.240 574 V C 1.456 177.718 176.094 0.279 0.000 1.117 574 V CA 0.683 63.097 62.300 0.191 0.000 1.133 574 V CB -0.200 31.735 31.823 0.187 0.000 0.857 574 V HN -0.169 nan 8.190 nan 0.000 0.478 575 D N 1.424 122.091 120.400 0.444 0.000 2.317 575 D HA 0.092 4.733 4.640 0.001 0.000 0.211 575 D C 1.191 177.638 176.300 0.245 0.000 0.966 575 D CA 0.679 54.844 54.000 0.275 0.000 0.876 575 D CB 0.083 40.979 40.800 0.159 0.000 0.927 575 D HN 0.460 nan 8.370 nan 0.000 0.519 576 S N -0.089 115.782 115.700 0.285 0.000 2.603 576 S HA 0.431 4.902 4.470 0.001 0.000 0.268 576 S C 0.385 175.007 174.600 0.036 0.000 1.317 576 S CA -0.499 57.786 58.200 0.142 0.000 1.012 576 S CB 1.176 64.485 63.200 0.181 0.000 0.926 576 S HN 0.285 nan 8.310 nan 0.000 0.539 577 S N 0.632 116.280 115.700 -0.087 0.000 2.565 577 S HA 0.386 4.857 4.470 0.001 0.000 0.269 577 S C 0.312 174.966 174.600 0.091 0.000 1.153 577 S CA -0.949 57.288 58.200 0.063 0.000 0.835 577 S CB 0.910 64.181 63.200 0.118 0.000 1.122 577 S HN 0.609 nan 8.310 nan 0.000 0.462 578 E N 0.418 120.771 120.200 0.255 0.000 2.114 578 E HA -0.269 4.081 4.350 0.001 0.000 0.199 578 E C 1.765 178.453 176.600 0.147 0.000 1.008 578 E CA 1.960 58.507 56.400 0.244 0.000 0.810 578 E CB -0.256 29.552 29.700 0.181 0.000 0.739 578 E HN 0.707 nan 8.360 nan 0.000 0.456 579 M N 0.507 120.162 119.600 0.093 0.000 2.099 579 M HA -0.143 4.338 4.480 0.001 0.000 0.262 579 M C 2.331 178.616 176.300 -0.025 0.000 1.067 579 M CA 1.785 57.101 55.300 0.027 0.000 1.124 579 M CB -0.079 32.535 32.600 0.023 0.000 1.353 579 M HN 0.106 nan 8.290 nan 0.000 0.410 580 A N 0.170 122.995 122.820 0.008 0.000 1.917 580 A HA -0.214 4.107 4.320 0.001 0.000 0.219 580 A C 1.793 179.257 177.584 -0.202 0.000 1.182 580 A CA 1.942 53.951 52.037 -0.047 0.000 0.633 580 A CB -1.369 17.628 19.000 -0.006 0.000 0.819 580 A HN 0.639 nan 8.150 nan 0.000 0.448 581 F N -0.052 119.839 119.950 -0.099 0.000 2.325 581 F HA -0.022 4.506 4.527 0.001 0.000 0.299 581 F C 2.273 178.032 175.800 -0.068 0.000 1.090 581 F CA 1.450 59.405 58.000 -0.076 0.000 1.392 581 F CB -0.020 38.953 39.000 -0.046 0.000 1.053 581 F HN 0.146 nan 8.300 nan 0.000 0.521 582 K N 0.207 120.646 120.400 0.066 0.000 2.097 582 K HA -0.126 4.195 4.320 0.001 0.000 0.205 582 K C 1.950 178.495 176.600 -0.093 0.000 1.050 582 K CA 1.494 57.774 56.287 -0.010 0.000 0.938 582 K CB -0.308 32.174 32.500 -0.031 0.000 0.718 582 K HN 0.280 nan 8.250 nan 0.000 0.442 583 I N 1.036 121.478 120.570 -0.213 0.000 2.286 583 I HA -0.210 3.961 4.170 0.001 0.000 0.245 583 I C 2.525 178.486 176.117 -0.260 0.000 1.104 583 I CA 0.832 61.921 61.300 -0.352 0.000 1.397 583 I CB -0.353 37.180 38.000 -0.778 0.000 1.072 583 I HN 0.097 nan 8.210 nan 0.000 0.417 584 A N 0.940 123.626 122.820 -0.222 0.000 1.917 584 A HA -0.257 4.063 4.320 0.001 0.000 0.219 584 A C 2.538 180.107 177.584 -0.026 0.000 1.182 584 A CA 2.216 54.175 52.037 -0.129 0.000 0.633 584 A CB -0.977 17.891 19.000 -0.221 0.000 0.819 584 A HN 0.438 nan 8.150 nan 0.000 0.448 585 A N -1.046 121.791 122.820 0.027 0.000 1.902 585 A HA -0.095 4.226 4.320 0.001 0.000 0.217 585 A C 2.460 180.098 177.584 0.090 0.000 1.181 585 A CA 2.156 54.255 52.037 0.104 0.000 0.623 585 A CB -1.085 17.985 19.000 0.117 0.000 0.818 585 A HN 0.580 nan 8.150 nan 0.000 0.443 586 S N -0.282 115.424 115.700 0.009 0.000 2.368 586 S HA -0.194 4.277 4.470 0.001 0.000 0.226 586 S C 1.921 176.518 174.600 -0.006 0.000 1.044 586 S CA 1.842 60.033 58.200 -0.016 0.000 1.062 586 S CB -0.546 62.608 63.200 -0.076 0.000 0.931 586 S HN 0.483 nan 8.310 nan 0.000 0.440 587 L N 0.973 122.183 121.223 -0.021 0.000 2.131 587 L HA -0.085 4.256 4.340 0.001 0.000 0.210 587 L C 2.852 179.737 176.870 0.024 0.000 1.092 587 L CA 1.154 55.989 54.840 -0.008 0.000 0.759 587 L CB -0.632 41.420 42.059 -0.012 0.000 0.903 587 L HN 0.416 nan 8.230 nan 0.000 0.435 588 A N 0.031 122.896 122.820 0.075 0.000 1.902 588 A HA -0.219 4.101 4.320 0.001 0.000 0.217 588 A C 2.236 179.908 177.584 0.147 0.000 1.181 588 A CA 1.674 53.809 52.037 0.163 0.000 0.623 588 A CB -0.699 18.462 19.000 0.268 0.000 0.818 588 A HN 0.322 nan 8.150 nan 0.000 0.443 589 L N -0.196 121.095 121.223 0.114 0.000 2.042 589 L HA -0.162 4.178 4.340 0.001 0.000 0.210 589 L C 2.304 179.107 176.870 -0.112 0.000 1.076 589 L CA 2.574 57.339 54.840 -0.125 0.000 0.749 589 L CB -0.450 41.596 42.059 -0.020 0.000 0.893 589 L HN 0.417 nan 8.230 nan 0.000 0.432 590 K N -0.830 119.544 120.400 -0.043 0.000 2.063 590 K HA -0.195 4.125 4.320 0.001 0.000 0.208 590 K C 2.028 178.596 176.600 -0.053 0.000 1.048 590 K CA 1.633 57.896 56.287 -0.040 0.000 0.928 590 K CB -0.033 32.451 32.500 -0.027 0.000 0.713 590 K HN 0.359 nan 8.250 nan 0.000 0.442 591 E N 0.024 120.198 120.200 -0.044 0.000 2.077 591 E HA -0.173 4.177 4.350 0.001 0.000 0.193 591 E C 1.962 178.503 176.600 -0.098 0.000 0.989 591 E CA 1.220 57.593 56.400 -0.045 0.000 0.800 591 E CB -0.250 29.445 29.700 -0.008 0.000 0.746 591 E HN 0.392 nan 8.360 nan 0.000 0.452 592 A N 1.477 124.199 122.820 -0.163 0.000 1.972 592 A HA -0.055 4.266 4.320 0.001 0.000 0.219 592 A C 2.382 179.701 177.584 -0.442 0.000 1.169 592 A CA 1.721 53.569 52.037 -0.315 0.000 0.635 592 A CB -0.444 18.184 19.000 -0.620 0.000 0.810 592 A HN 0.251 nan 8.150 nan 0.000 0.446 593 A N -0.157 122.510 122.820 -0.256 0.000 2.070 593 A HA -0.127 4.193 4.320 0.001 0.000 0.220 593 A C 2.005 179.483 177.584 -0.177 0.000 1.159 593 A CA 1.676 53.608 52.037 -0.175 0.000 0.656 593 A CB -0.346 18.664 19.000 0.016 0.000 0.800 593 A HN 0.564 nan 8.150 nan 0.000 0.453 594 K N -0.717 119.595 120.400 -0.148 0.000 2.296 594 K HA -0.005 4.316 4.320 0.001 0.000 0.200 594 K C 1.424 177.946 176.600 -0.129 0.000 1.048 594 K CA 1.186 57.409 56.287 -0.108 0.000 0.966 594 K CB 0.034 32.491 32.500 -0.071 0.000 0.754 594 K HN 0.400 nan 8.250 nan 0.000 0.466 595 K N -1.066 119.218 120.400 -0.192 0.000 2.425 595 K HA 0.145 4.465 4.320 0.001 0.000 0.201 595 K C 0.761 177.227 176.600 -0.224 0.000 1.128 595 K CA 0.027 56.216 56.287 -0.163 0.000 1.000 595 K CB 0.895 33.327 32.500 -0.114 0.000 0.961 595 K HN -0.009 nan 8.250 nan 0.000 0.555 596 C N 2.079 121.127 119.300 -0.420 0.000 2.688 596 C HA 0.137 4.598 4.460 0.001 0.000 0.297 596 C C 0.010 174.797 174.990 -0.339 0.000 1.308 596 C CA -0.663 58.035 59.018 -0.534 0.000 1.726 596 C CB -1.240 25.746 27.740 -1.257 0.000 1.982 596 C HN 0.517 nan 8.230 nan 0.000 0.604 597 D N 1.824 122.111 120.400 -0.188 0.000 2.812 597 D HA -0.123 4.518 4.640 0.001 0.000 0.237 597 D C -2.193 174.126 176.300 0.033 0.000 1.162 597 D CA 0.312 54.279 54.000 -0.055 0.000 0.740 597 D CB -0.134 40.653 40.800 -0.021 0.000 1.000 597 D HN 0.262 nan 8.370 nan 0.000 0.416 598 P HA 0.216 nan 4.420 nan 0.000 0.271 598 P C 0.064 177.438 177.300 0.123 0.000 1.218 598 P CA -0.347 62.886 63.100 0.222 0.000 0.780 598 P CB 1.273 33.119 31.700 0.244 0.000 0.901 599 V N 0.012 119.997 119.914 0.118 0.000 3.102 599 V HA 0.561 4.681 4.120 0.001 0.000 0.312 599 V C -0.207 175.919 176.094 0.052 0.000 1.135 599 V CA -1.311 61.030 62.300 0.069 0.000 1.022 599 V CB 1.850 33.710 31.823 0.061 0.000 1.056 599 V HN 0.271 nan 8.190 nan 0.000 0.436 600 I N 2.670 123.254 120.570 0.024 0.000 2.371 600 I HA 0.404 4.575 4.170 0.001 0.000 0.290 600 I C -0.369 175.763 176.117 0.023 0.000 1.028 600 I CA -0.156 61.139 61.300 -0.008 0.000 1.345 600 I CB 1.082 39.020 38.000 -0.104 0.000 1.407 600 I HN 0.448 nan 8.210 nan 0.000 0.501 601 L N 6.775 128.028 121.223 0.051 0.000 2.331 601 L HA 0.536 4.876 4.340 0.001 0.000 0.275 601 L C -0.069 176.974 176.870 0.289 0.000 1.022 601 L CA -0.642 54.281 54.840 0.137 0.000 0.812 601 L CB 1.538 43.645 42.059 0.081 0.000 1.257 601 L HN 0.629 nan 8.230 nan 0.000 0.435 602 E N 2.132 122.537 120.200 0.342 0.000 2.288 602 E HA 0.523 4.874 4.350 0.001 0.000 0.268 602 E C -2.826 173.891 176.600 0.195 0.000 0.885 602 E CA -2.416 54.181 56.400 0.328 0.000 0.767 602 E CB 2.145 32.034 29.700 0.315 0.000 1.220 602 E HN 0.190 nan 8.360 nan 0.000 0.427 603 P HA 0.028 nan 4.420 nan 0.000 0.267 603 P C -0.571 176.544 177.300 -0.308 0.000 1.209 603 P CA 0.150 63.115 63.100 -0.224 0.000 0.763 603 P CB 0.412 32.067 31.700 -0.075 0.000 0.816 604 M N 4.235 123.482 119.600 -0.588 0.000 2.180 604 M HA 0.369 4.850 4.480 0.001 0.000 0.350 604 M C 0.171 176.127 176.300 -0.573 0.000 1.125 604 M CA -0.576 54.374 55.300 -0.582 0.000 1.031 604 M CB 1.051 33.105 32.600 -0.909 0.000 1.623 604 M HN 0.238 nan 8.290 nan 0.000 0.451 605 M N 2.570 121.995 119.600 -0.293 0.000 2.277 605 M HA 0.357 4.837 4.480 0.001 0.000 0.350 605 M C 0.082 176.347 176.300 -0.058 0.000 1.180 605 M CA -0.343 54.843 55.300 -0.191 0.000 1.103 605 M CB 0.664 33.170 32.600 -0.156 0.000 1.577 605 M HN 0.490 nan 8.290 nan 0.000 0.459 606 K N 2.510 122.908 120.400 -0.002 0.000 2.316 606 K HA 0.412 4.732 4.320 0.001 0.000 0.289 606 K C -1.403 175.137 176.600 -0.100 0.000 1.070 606 K CA -0.220 56.030 56.287 -0.063 0.000 0.928 606 K CB 0.462 33.004 32.500 0.069 0.000 1.039 606 K HN 0.535 nan 8.250 nan 0.000 0.480 607 V N 4.643 124.436 119.914 -0.201 0.000 2.328 607 V HA 0.170 4.291 4.120 0.001 0.000 0.278 607 V C -0.319 175.706 176.094 -0.114 0.000 1.021 607 V CA -0.699 61.505 62.300 -0.161 0.000 0.838 607 V CB 1.413 33.071 31.823 -0.275 0.000 0.999 607 V HN 0.774 nan 8.190 nan 0.000 0.447 608 T N 6.942 121.481 114.554 -0.025 0.000 2.743 608 T HA 0.649 4.999 4.350 0.001 0.000 0.292 608 T C -0.206 174.523 174.700 0.048 0.000 0.972 608 T CA -0.012 62.082 62.100 -0.010 0.000 0.967 608 T CB 0.527 69.400 68.868 0.009 0.000 0.926 608 T HN 0.389 nan 8.240 nan 0.000 0.459 609 I N 2.956 123.553 120.570 0.046 0.000 2.362 609 I HA 0.377 4.548 4.170 0.001 0.000 0.289 609 I C 0.258 176.417 176.117 0.071 0.000 0.994 609 I CA -0.605 60.758 61.300 0.104 0.000 1.158 609 I CB 1.633 39.701 38.000 0.114 0.000 1.315 609 I HN 0.527 nan 8.210 nan 0.000 0.451 610 E N 8.465 128.712 120.200 0.077 0.000 2.165 610 E HA 0.607 4.958 4.350 0.001 0.000 0.266 610 E C -1.166 175.484 176.600 0.084 0.000 0.889 610 E CA -0.852 55.584 56.400 0.061 0.000 0.756 610 E CB 1.161 30.883 29.700 0.036 0.000 1.131 610 E HN 0.553 nan 8.360 nan 0.000 0.411 611 M N 2.479 122.136 119.600 0.094 0.000 2.520 611 M HA 0.554 5.034 4.480 0.001 0.000 0.283 611 M C -3.063 173.322 176.300 0.141 0.000 1.237 611 M CA -2.767 52.616 55.300 0.139 0.000 0.885 611 M CB 0.561 33.267 32.600 0.176 0.000 1.727 611 M HN 0.056 nan 8.290 nan 0.000 0.468 612 P HA 0.023 nan 4.420 nan 0.000 0.263 612 P C 0.252 177.531 177.300 -0.035 0.000 1.175 612 P CA 0.568 63.699 63.100 0.052 0.000 0.761 612 P CB 0.311 32.036 31.700 0.042 0.000 0.794 613 E N 3.911 124.066 120.200 -0.076 0.000 2.153 613 E HA -0.262 4.088 4.350 0.001 0.000 0.194 613 E C 1.342 177.865 176.600 -0.129 0.000 0.988 613 E CA 1.373 57.734 56.400 -0.065 0.000 0.811 613 E CB -0.972 28.700 29.700 -0.048 0.000 0.746 613 E HN 0.530 nan 8.360 nan 0.000 0.466 614 E N 0.600 120.632 120.200 -0.280 0.000 2.331 614 E HA -0.234 4.117 4.350 0.001 0.000 0.199 614 E C 0.579 176.990 176.600 -0.315 0.000 1.008 614 E CA 0.951 57.144 56.400 -0.345 0.000 0.843 614 E CB -0.505 28.922 29.700 -0.455 0.000 0.761 614 E HN 0.544 nan 8.360 nan 0.000 0.507 615 Y N 0.382 120.676 120.300 -0.010 0.000 2.470 615 Y HA 0.300 4.851 4.550 0.001 0.000 0.284 615 Y C 2.134 178.027 175.900 -0.011 0.000 1.188 615 Y CA -0.190 57.902 58.100 -0.014 0.000 1.269 615 Y CB -0.361 38.089 38.460 -0.018 0.000 1.094 615 Y HN -0.087 nan 8.280 nan 0.000 0.518 616 M N -0.165 119.486 119.600 0.084 0.000 2.089 616 M HA -0.224 4.257 4.480 0.001 0.000 0.257 616 M C 2.536 178.868 176.300 0.052 0.000 1.071 616 M CA 2.189 57.523 55.300 0.057 0.000 1.096 616 M CB -0.789 31.825 32.600 0.024 0.000 1.330 616 M HN 0.515 nan 8.290 nan 0.000 0.403 617 G N -0.049 108.779 108.800 0.047 0.000 2.459 617 G HA2 -0.232 3.729 3.960 0.001 0.000 0.217 617 G HA3 -0.232 3.729 3.960 0.001 0.000 0.217 617 G C 1.075 175.996 174.900 0.036 0.000 1.183 617 G CA 1.318 46.439 45.100 0.035 0.000 0.776 617 G HN 0.369 nan 8.290 nan 0.000 0.552 618 D N 0.201 120.630 120.400 0.049 0.000 2.183 618 D HA -0.032 4.608 4.640 0.001 0.000 0.203 618 D C 2.455 178.757 176.300 0.003 0.000 0.969 618 D CA 0.240 54.253 54.000 0.021 0.000 0.842 618 D CB -0.070 40.739 40.800 0.015 0.000 0.957 618 D HN 0.201 nan 8.370 nan 0.000 0.484 619 I N 0.546 121.130 120.570 0.023 0.000 2.179 619 I HA -0.220 3.951 4.170 0.001 0.000 0.242 619 I C 2.146 178.280 176.117 0.027 0.000 1.088 619 I CA 1.018 62.326 61.300 0.014 0.000 1.357 619 I CB -0.266 37.761 38.000 0.045 0.000 1.051 619 I HN -0.061 nan 8.210 nan 0.000 0.409 620 M N 0.068 119.687 119.600 0.031 0.000 2.132 620 M HA -0.003 4.477 4.480 0.001 0.000 0.263 620 M C 2.344 178.659 176.300 0.025 0.000 1.065 620 M CA 1.669 56.987 55.300 0.030 0.000 1.122 620 M CB -1.765 30.851 32.600 0.027 0.000 1.365 620 M HN 0.266 nan 8.290 nan 0.000 0.411 621 G N -0.666 108.146 108.800 0.019 0.000 2.469 621 G HA2 -0.313 3.647 3.960 0.001 0.000 0.219 621 G HA3 -0.313 3.647 3.960 0.001 0.000 0.219 621 G C 1.296 176.204 174.900 0.014 0.000 1.150 621 G CA 1.565 46.674 45.100 0.015 0.000 0.763 621 G HN 0.522 nan 8.290 nan 0.000 0.561 622 D N -0.436 119.967 120.400 0.006 0.000 2.117 622 D HA -0.096 4.545 4.640 0.001 0.000 0.197 622 D C 2.585 178.912 176.300 0.045 0.000 0.987 622 D CA 0.996 54.998 54.000 0.003 0.000 0.829 622 D CB -0.090 40.682 40.800 -0.047 0.000 0.961 622 D HN 0.123 nan 8.370 nan 0.000 0.460 623 V N 0.139 120.089 119.914 0.060 0.000 2.332 623 V HA -0.280 3.841 4.120 0.001 0.000 0.248 623 V C 2.496 178.619 176.094 0.047 0.000 1.055 623 V CA 2.183 64.523 62.300 0.066 0.000 1.038 623 V CB -0.820 31.034 31.823 0.051 0.000 0.651 623 V HN 0.368 nan 8.190 nan 0.000 0.450 624 T N 0.199 114.776 114.554 0.038 0.000 2.746 624 T HA -0.183 4.168 4.350 0.001 0.000 0.267 624 T C 2.063 176.783 174.700 0.034 0.000 1.039 624 T CA 1.891 64.011 62.100 0.034 0.000 1.142 624 T CB -0.393 68.491 68.868 0.028 0.000 0.866 624 T HN 0.738 nan 8.240 nan 0.000 0.444 625 S N 1.539 117.258 115.700 0.032 0.000 2.442 625 S HA -0.064 4.407 4.470 0.001 0.000 0.236 625 S C 1.703 176.327 174.600 0.041 0.000 1.007 625 S CA 0.669 58.887 58.200 0.031 0.000 0.965 625 S CB -0.364 62.850 63.200 0.023 0.000 0.773 625 S HN 0.442 nan 8.310 nan 0.000 0.504 626 R N 0.787 121.316 120.500 0.049 0.000 2.480 626 R HA 0.355 4.695 4.340 0.001 0.000 0.277 626 R C 0.045 176.373 176.300 0.047 0.000 1.008 626 R CA -0.170 55.964 56.100 0.056 0.000 1.090 626 R CB -0.084 30.257 30.300 0.069 0.000 1.234 626 R HN 0.332 nan 8.270 nan 0.000 0.549 627 R N -1.054 119.473 120.500 0.044 0.000 3.770 627 R HA -0.154 4.186 4.340 0.001 0.000 0.305 627 R C 0.349 176.674 176.300 0.043 0.000 1.184 627 R CA 0.583 56.709 56.100 0.043 0.000 0.823 627 R CB -1.946 28.381 30.300 0.045 0.000 1.285 627 R HN 0.435 nan 8.270 nan 0.000 0.499 628 G N 0.447 109.272 108.800 0.043 0.000 2.613 628 G HA2 0.714 4.675 3.960 0.001 0.000 0.303 628 G HA3 0.714 4.675 3.960 0.001 0.000 0.303 628 G C -0.224 174.713 174.900 0.061 0.000 1.312 628 G CA -0.634 44.495 45.100 0.049 0.000 1.036 628 G HN 0.264 nan 8.290 nan 0.000 0.513 629 R N -2.275 118.275 120.500 0.084 0.000 2.764 629 R HA 0.699 5.039 4.340 0.001 0.000 0.270 629 R C -2.043 174.311 176.300 0.089 0.000 1.014 629 R CA -0.825 55.329 56.100 0.091 0.000 0.904 629 R CB 1.711 32.079 30.300 0.113 0.000 1.236 629 R HN 0.358 nan 8.270 nan 0.000 0.466 630 V N 0.957 120.914 119.914 0.071 0.000 2.495 630 V HA 0.297 4.418 4.120 0.001 0.000 0.298 630 V C -1.060 175.078 176.094 0.072 0.000 1.031 630 V CA -0.480 61.846 62.300 0.042 0.000 0.871 630 V CB 1.703 33.538 31.823 0.021 0.000 0.988 630 V HN 0.826 nan 8.190 nan 0.000 0.432 631 D N 3.516 123.957 120.400 0.069 0.000 2.441 631 D HA 0.554 5.194 4.640 0.001 0.000 0.287 631 D C 0.076 176.403 176.300 0.045 0.000 1.198 631 D CA 0.700 54.759 54.000 0.097 0.000 0.894 631 D CB 0.660 41.600 40.800 0.233 0.000 1.070 631 D HN 1.028 nan 8.370 nan 0.000 0.499 632 G N 2.381 111.197 108.800 0.027 0.000 3.055 632 G HA2 0.014 3.974 3.960 0.001 0.000 0.686 632 G HA3 0.014 3.974 3.960 0.001 0.000 0.686 632 G C -0.739 174.161 174.900 -0.000 0.000 1.087 632 G CA -0.337 44.771 45.100 0.013 0.000 0.779 632 G HN 0.508 nan 8.290 nan 0.000 0.599 633 M N 1.558 121.160 119.600 0.003 0.000 2.271 633 M HA 0.684 5.165 4.480 0.001 0.000 0.285 633 M C -1.496 174.807 176.300 0.004 0.000 1.059 633 M CA -0.813 54.489 55.300 0.002 0.000 0.940 633 M CB 1.848 34.452 32.600 0.006 0.000 1.636 633 M HN 0.484 nan 8.290 nan 0.000 0.460 634 E N 4.862 125.064 120.200 0.003 0.000 2.272 634 E HA 0.582 4.932 4.350 0.001 0.000 0.269 634 E C -2.729 173.874 176.600 0.006 0.000 0.877 634 E CA -1.697 54.705 56.400 0.003 0.000 0.755 634 E CB 2.208 31.909 29.700 0.001 0.000 1.192 634 E HN 0.429 nan 8.360 nan 0.000 0.422 635 P HA 0.244 nan 4.420 nan 0.000 0.271 635 P C -0.523 176.783 177.300 0.012 0.000 1.218 635 P CA -0.192 62.913 63.100 0.008 0.000 0.780 635 P CB 0.675 32.379 31.700 0.005 0.000 0.901 636 R N 1.990 122.501 120.500 0.017 0.000 2.631 636 R HA 0.485 4.826 4.340 0.001 0.000 0.289 636 R C 0.462 176.783 176.300 0.035 0.000 1.303 636 R CA 0.045 56.160 56.100 0.025 0.000 0.989 636 R CB 0.224 30.539 30.300 0.025 0.000 1.208 636 R HN 0.758 nan 8.270 nan 0.000 0.461 637 G N 4.015 112.837 108.800 0.037 0.000 2.591 637 G HA2 -0.447 3.513 3.960 0.001 0.000 0.298 637 G HA3 -0.447 3.513 3.960 0.001 0.000 0.298 637 G C 0.169 175.082 174.900 0.022 0.000 1.195 637 G CA 0.550 45.675 45.100 0.042 0.000 0.989 637 G HN 0.790 nan 8.290 nan 0.000 0.551 638 N N 1.971 120.681 118.700 0.018 0.000 2.313 638 N HA 0.568 5.308 4.740 0.001 0.000 0.207 638 N C 0.395 175.902 175.510 -0.005 0.000 1.141 638 N CA 1.280 54.327 53.050 -0.004 0.000 0.830 638 N CB 0.057 38.532 38.487 -0.019 0.000 1.008 638 N HN 1.311 nan 8.380 nan 0.000 0.481 639 A N -0.267 122.562 122.820 0.015 0.000 2.313 639 A HA 0.678 4.998 4.320 0.001 0.000 0.323 639 A C -0.442 177.154 177.584 0.020 0.000 1.133 639 A CA -0.635 51.417 52.037 0.024 0.000 0.847 639 A CB 1.349 20.375 19.000 0.044 0.000 1.308 639 A HN 0.169 nan 8.150 nan 0.000 0.475 640 Q N 0.029 119.846 119.800 0.028 0.000 2.342 640 Q HA 0.527 4.868 4.340 0.001 0.000 0.267 640 Q C -1.355 174.662 176.000 0.028 0.000 1.038 640 Q CA -0.618 55.199 55.803 0.024 0.000 0.832 640 Q CB 2.138 30.890 28.738 0.023 0.000 1.323 640 Q HN 0.427 nan 8.270 nan 0.000 0.448 641 V N 2.318 122.243 119.914 0.017 0.000 2.334 641 V HA 0.316 4.437 4.120 0.001 0.000 0.281 641 V C -0.128 175.968 176.094 0.003 0.000 1.016 641 V CA -0.698 61.609 62.300 0.012 0.000 0.832 641 V CB 1.573 33.397 31.823 0.001 0.000 0.999 641 V HN 0.462 nan 8.190 nan 0.000 0.439 642 V N 4.207 124.123 119.914 0.004 0.000 2.394 642 V HA 0.337 4.457 4.120 0.001 0.000 0.282 642 V C 0.240 176.304 176.094 -0.049 0.000 1.031 642 V CA -0.616 61.677 62.300 -0.012 0.000 0.881 642 V CB 1.620 33.446 31.823 0.005 0.000 0.982 642 V HN 0.887 nan 8.190 nan 0.000 0.451 643 N N 3.990 122.643 118.700 -0.078 0.000 2.521 643 N HA 0.542 5.283 4.740 0.001 0.000 0.236 643 N C -0.277 175.075 175.510 -0.264 0.000 1.067 643 N CA 0.008 52.957 53.050 -0.169 0.000 0.939 643 N CB 0.936 39.344 38.487 -0.132 0.000 1.201 643 N HN 0.888 nan 8.380 nan 0.000 0.511 644 A N 2.868 125.493 122.820 -0.324 0.000 2.330 644 A HA 0.648 4.969 4.320 0.001 0.000 0.329 644 A C -1.472 175.770 177.584 -0.570 0.000 1.135 644 A CA -0.460 51.388 52.037 -0.315 0.000 0.817 644 A CB 0.655 19.566 19.000 -0.148 0.000 1.269 644 A HN 0.598 nan 8.150 nan 0.000 0.469 645 Y N 0.168 120.453 120.300 -0.025 0.000 2.326 645 Y HA 0.536 5.086 4.550 0.001 0.000 0.331 645 Y C -0.268 175.589 175.900 -0.073 0.000 0.962 645 Y CA -0.618 57.454 58.100 -0.046 0.000 1.167 645 Y CB 2.134 40.605 38.460 0.019 0.000 1.148 645 Y HN 0.390 nan 8.280 nan 0.000 0.463 646 V N 5.213 125.130 119.914 0.005 0.000 2.709 646 V HA 0.496 4.617 4.120 0.001 0.000 0.308 646 V C -2.495 173.550 176.094 -0.082 0.000 1.062 646 V CA -2.680 59.595 62.300 -0.042 0.000 0.901 646 V CB 2.384 34.145 31.823 -0.104 0.000 1.003 646 V HN 0.492 nan 8.190 nan 0.000 0.425 647 P HA 0.100 nan 4.420 nan 0.000 0.268 647 P C 0.643 177.882 177.300 -0.103 0.000 1.204 647 P CA -0.126 62.930 63.100 -0.073 0.000 0.768 647 P CB 0.718 32.415 31.700 -0.004 0.000 0.842 648 L N 4.282 125.418 121.223 -0.145 0.000 2.079 648 L HA -0.211 4.129 4.340 0.001 0.000 0.210 648 L C 2.060 178.793 176.870 -0.228 0.000 1.081 648 L CA 2.438 57.155 54.840 -0.204 0.000 0.752 648 L CB -1.444 40.493 42.059 -0.203 0.000 0.896 648 L HN 0.412 nan 8.230 nan 0.000 0.433 649 S N -1.520 114.131 115.700 -0.081 0.000 2.465 649 S HA -0.116 4.354 4.470 0.001 0.000 0.241 649 S C 1.371 176.079 174.600 0.180 0.000 1.000 649 S CA 1.137 59.405 58.200 0.113 0.000 0.964 649 S CB -0.510 62.814 63.200 0.206 0.000 0.763 649 S HN 0.617 nan 8.310 nan 0.000 0.512 650 E N -0.013 120.222 120.200 0.058 0.000 2.501 650 E HA 0.274 4.624 4.350 0.001 0.000 0.200 650 E C 0.552 177.179 176.600 0.045 0.000 1.016 650 E CA -0.086 56.371 56.400 0.096 0.000 0.921 650 E CB 0.220 29.961 29.700 0.068 0.000 1.034 650 E HN 0.496 nan 8.360 nan 0.000 0.468 651 M N -0.117 119.423 119.600 -0.100 0.000 2.428 651 M HA 0.184 4.664 4.480 0.001 0.000 0.239 651 M C 0.032 176.276 176.300 -0.094 0.000 1.121 651 M CA -0.112 55.115 55.300 -0.122 0.000 1.019 651 M CB -0.407 32.047 32.600 -0.242 0.000 1.485 651 M HN -0.073 nan 8.290 nan 0.000 0.484 652 F N 1.376 121.360 119.950 0.057 0.000 2.578 652 F HA 0.333 4.861 4.527 0.001 0.000 0.376 652 F C 1.749 177.581 175.800 0.054 0.000 1.085 652 F CA 1.211 59.244 58.000 0.054 0.000 1.260 652 F CB -0.173 38.852 39.000 0.040 0.000 1.095 652 F HN 0.538 nan 8.300 nan 0.000 0.573 653 G N 2.328 111.262 108.800 0.223 0.000 2.148 653 G HA2 -0.412 3.548 3.960 0.001 0.000 0.254 653 G HA3 -0.412 3.548 3.960 0.001 0.000 0.254 653 G C 0.799 175.725 174.900 0.043 0.000 0.981 653 G CA 0.458 45.627 45.100 0.116 0.000 0.670 653 G HN 0.768 nan 8.290 nan 0.000 0.528 654 Y N 0.868 121.134 120.300 -0.057 0.000 2.145 654 Y HA 0.089 4.640 4.550 0.001 0.000 0.286 654 Y C 2.815 178.589 175.900 -0.210 0.000 1.145 654 Y CA 2.702 60.695 58.100 -0.178 0.000 1.148 654 Y CB -0.422 37.849 38.460 -0.315 0.000 0.981 654 Y HN 0.443 nan 8.280 nan 0.000 0.507 655 A N -0.846 121.962 122.820 -0.019 0.000 1.902 655 A HA -0.177 4.144 4.320 0.001 0.000 0.217 655 A C 2.219 179.753 177.584 -0.082 0.000 1.181 655 A CA 2.199 54.244 52.037 0.013 0.000 0.623 655 A CB -1.329 17.812 19.000 0.236 0.000 0.818 655 A HN 0.499 nan 8.150 nan 0.000 0.443 656 T N 0.174 114.691 114.554 -0.062 0.000 2.684 656 T HA -0.138 4.212 4.350 0.001 0.000 0.267 656 T C 2.265 176.878 174.700 -0.147 0.000 1.036 656 T CA 1.889 63.944 62.100 -0.076 0.000 1.148 656 T CB -0.359 68.487 68.868 -0.038 0.000 0.863 656 T HN 0.492 nan 8.240 nan 0.000 0.436 657 S N 1.160 116.729 115.700 -0.219 0.000 2.368 657 S HA -0.012 4.459 4.470 0.001 0.000 0.224 657 S C 1.953 176.349 174.600 -0.340 0.000 1.029 657 S CA 0.651 58.693 58.200 -0.263 0.000 0.988 657 S CB -0.486 62.536 63.200 -0.296 0.000 0.838 657 S HN 0.285 nan 8.310 nan 0.000 0.462 658 L N 2.118 123.041 121.223 -0.499 0.000 2.042 658 L HA -0.052 4.289 4.340 0.001 0.000 0.210 658 L C 2.346 179.066 176.870 -0.250 0.000 1.076 658 L CA 1.747 56.332 54.840 -0.425 0.000 0.749 658 L CB -0.436 41.326 42.059 -0.495 0.000 0.893 658 L HN 0.139 nan 8.230 nan 0.000 0.432 659 R N -1.217 119.173 120.500 -0.183 0.000 2.083 659 R HA -0.190 4.151 4.340 0.001 0.000 0.237 659 R C 2.536 178.736 176.300 -0.166 0.000 1.137 659 R CA 1.689 57.710 56.100 -0.133 0.000 0.951 659 R CB -0.463 29.792 30.300 -0.075 0.000 0.851 659 R HN 0.514 nan 8.270 nan 0.000 0.434 660 S N 0.220 115.823 115.700 -0.163 0.000 2.383 660 S HA -0.064 4.407 4.470 0.001 0.000 0.227 660 S C 1.445 175.927 174.600 -0.197 0.000 1.026 660 S CA 1.237 59.346 58.200 -0.150 0.000 0.981 660 S CB -0.138 62.990 63.200 -0.119 0.000 0.818 660 S HN 0.411 nan 8.310 nan 0.000 0.472 661 N N 0.679 119.237 118.700 -0.237 0.000 2.446 661 N HA 0.018 4.758 4.740 0.001 0.000 0.179 661 N C 1.185 176.394 175.510 -0.502 0.000 1.054 661 N CA 1.384 54.281 53.050 -0.255 0.000 0.905 661 N CB -0.031 38.338 38.487 -0.195 0.000 0.973 661 N HN 0.698 nan 8.380 nan 0.000 0.448 662 T N -2.732 111.445 114.554 -0.628 0.000 3.182 662 T HA 0.170 4.521 4.350 0.001 0.000 0.277 662 T C 0.123 174.311 174.700 -0.854 0.000 1.013 662 T CA -0.370 61.020 62.100 -1.184 0.000 0.900 662 T CB 0.031 68.550 68.868 -0.581 0.000 1.098 662 T HN 0.040 nan 8.240 nan 0.000 0.543 663 Q N 0.553 120.063 119.800 -0.483 0.000 2.435 663 Q HA -0.243 4.098 4.340 0.001 0.000 0.286 663 Q C 1.183 177.102 176.000 -0.134 0.000 1.229 663 Q CA 0.781 56.458 55.803 -0.210 0.000 0.884 663 Q CB -2.146 26.542 28.738 -0.083 0.000 1.245 663 Q HN 1.162 nan 8.270 nan 0.000 0.488 664 G N -0.672 108.039 108.800 -0.149 0.000 2.159 664 G HA2 -0.363 3.598 3.960 0.001 0.000 0.256 664 G HA3 -0.363 3.598 3.960 0.001 0.000 0.256 664 G C 0.599 175.466 174.900 -0.056 0.000 0.977 664 G CA 0.532 45.581 45.100 -0.084 0.000 0.652 664 G HN 0.463 nan 8.290 nan 0.000 0.531 665 R N 0.248 120.708 120.500 -0.067 0.000 2.308 665 R HA 0.356 4.696 4.340 0.001 0.000 0.202 665 R C 1.630 177.951 176.300 0.036 0.000 0.898 665 R CA 0.439 56.543 56.100 0.007 0.000 1.046 665 R CB 0.466 30.814 30.300 0.080 0.000 1.026 665 R HN 0.390 nan 8.270 nan 0.000 0.512 666 G N -0.055 108.749 108.800 0.008 0.000 2.476 666 G HA2 0.350 4.311 3.960 0.001 0.000 0.286 666 G HA3 0.350 4.311 3.960 0.001 0.000 0.286 666 G C -0.790 174.167 174.900 0.095 0.000 1.177 666 G CA -0.074 45.059 45.100 0.055 0.000 0.870 666 G HN -0.048 nan 8.290 nan 0.000 0.528 667 T N -0.938 113.694 114.554 0.130 0.000 2.883 667 T HA 0.723 5.074 4.350 0.001 0.000 0.296 667 T C -1.500 173.350 174.700 0.250 0.000 1.117 667 T CA -0.616 61.586 62.100 0.170 0.000 1.006 667 T CB 1.323 70.233 68.868 0.070 0.000 1.191 667 T HN 0.928 nan 8.240 nan 0.000 0.508 668 Y N -0.722 119.600 120.300 0.037 0.000 2.624 668 Y HA 0.709 5.260 4.550 0.001 0.000 0.334 668 Y C -0.705 175.185 175.900 -0.017 0.000 1.155 668 Y CA -1.037 57.070 58.100 0.012 0.000 1.046 668 Y CB 1.050 39.557 38.460 0.078 0.000 1.316 668 Y HN 0.774 nan 8.280 nan 0.000 0.457 669 T N 0.871 115.314 114.554 -0.185 0.000 2.916 669 T HA 0.713 5.064 4.350 0.001 0.000 0.292 669 T C -0.834 173.716 174.700 -0.251 0.000 1.064 669 T CA -0.859 61.050 62.100 -0.319 0.000 1.011 669 T CB 2.099 70.913 68.868 -0.089 0.000 1.152 669 T HN 1.193 nan 8.240 nan 0.000 0.510 670 M N 1.804 121.111 119.600 -0.489 0.000 2.277 670 M HA 0.610 5.091 4.480 0.001 0.000 0.282 670 M C -2.486 173.452 176.300 -0.602 0.000 1.074 670 M CA -0.695 54.397 55.300 -0.347 0.000 0.954 670 M CB 1.644 34.152 32.600 -0.154 0.000 1.672 670 M HN 0.817 nan 8.290 nan 0.000 0.471 671 Y N 2.814 123.126 120.300 0.020 0.000 2.512 671 Y HA 0.505 5.055 4.550 0.001 0.000 0.348 671 Y C -0.604 175.335 175.900 0.064 0.000 0.990 671 Y CA -0.811 57.340 58.100 0.085 0.000 1.033 671 Y CB 1.635 40.180 38.460 0.142 0.000 1.259 671 Y HN 0.682 nan 8.280 nan 0.000 0.461 672 F N 2.319 122.334 119.950 0.108 0.000 2.635 672 F HA -0.039 4.489 4.527 0.001 0.000 0.379 672 F C 0.567 176.275 175.800 -0.153 0.000 1.094 672 F CA 0.947 58.873 58.000 -0.124 0.000 1.300 672 F CB 0.574 39.413 39.000 -0.269 0.000 1.035 672 F HN 0.761 nan 8.300 nan 0.000 0.581 673 D N 2.036 121.718 120.400 -1.197 0.000 2.932 673 D HA 0.086 4.727 4.640 0.001 0.000 0.294 673 D C -0.591 175.057 176.300 -1.086 0.000 1.119 673 D CA 0.544 54.076 54.000 -0.779 0.000 0.980 673 D CB 0.321 41.054 40.800 -0.111 0.000 1.361 673 D HN 0.661 nan 8.370 nan 0.000 0.466 674 H N -2.683 115.539 119.070 -1.413 0.000 2.967 674 H HA 0.231 4.788 4.556 0.001 0.000 0.318 674 H C -1.618 173.288 175.328 -0.704 0.000 1.375 674 H CA -0.846 54.705 56.048 -0.828 0.000 1.132 674 H CB -0.139 29.395 29.762 -0.380 0.000 1.848 674 H HN -0.028 nan 8.280 nan 0.000 0.524 675 Y N 0.195 120.501 120.300 0.011 0.000 2.352 675 Y HA 0.625 5.175 4.550 0.001 0.000 0.326 675 Y C 0.438 176.393 175.900 0.091 0.000 1.166 675 Y CA 0.003 58.133 58.100 0.050 0.000 1.182 675 Y CB 1.911 40.447 38.460 0.126 0.000 1.216 675 Y HN 0.872 nan 8.280 nan 0.000 0.474 676 A N 2.143 125.092 122.820 0.215 0.000 2.475 676 A HA 0.429 4.749 4.320 0.001 0.000 0.301 676 A C -1.042 176.628 177.584 0.144 0.000 1.059 676 A CA -0.946 51.191 52.037 0.166 0.000 0.710 676 A CB 1.229 20.299 19.000 0.118 0.000 1.288 676 A HN 0.750 nan 8.150 nan 0.000 0.408 677 E N 1.069 121.335 120.200 0.109 0.000 2.376 677 E HA 0.326 4.677 4.350 0.001 0.000 0.266 677 E C -0.526 176.118 176.600 0.074 0.000 1.009 677 E CA -0.164 56.287 56.400 0.086 0.000 0.902 677 E CB 0.593 30.333 29.700 0.066 0.000 0.972 677 E HN 0.418 nan 8.360 nan 0.000 0.439 678 V N 6.749 126.702 119.914 0.064 0.000 2.715 678 V HA 0.097 4.218 4.120 0.001 0.000 0.299 678 V C -1.875 174.240 176.094 0.034 0.000 1.054 678 V CA -1.251 61.080 62.300 0.051 0.000 1.077 678 V CB 0.797 32.627 31.823 0.012 0.000 0.972 678 V HN 0.795 nan 8.190 nan 0.000 0.484 679 P HA 0.055 nan 4.420 nan 0.000 0.269 679 P C 0.794 178.104 177.300 0.017 0.000 1.217 679 P CA -0.256 62.860 63.100 0.028 0.000 0.783 679 P CB 0.530 32.249 31.700 0.030 0.000 0.898 680 K N 1.418 121.828 120.400 0.015 0.000 2.025 680 K HA -0.124 4.196 4.320 0.001 0.000 0.207 680 K C 1.908 178.512 176.600 0.006 0.000 1.049 680 K CA 2.356 58.649 56.287 0.010 0.000 0.933 680 K CB -0.689 31.818 32.500 0.011 0.000 0.714 680 K HN 0.549 nan 8.250 nan 0.000 0.438 681 S N 0.550 116.256 115.700 0.009 0.000 2.423 681 S HA -0.076 4.395 4.470 0.001 0.000 0.231 681 S C 2.146 176.750 174.600 0.006 0.000 1.014 681 S CA 0.804 59.009 58.200 0.008 0.000 0.965 681 S CB -0.396 62.811 63.200 0.011 0.000 0.785 681 S HN 0.326 nan 8.310 nan 0.000 0.495 682 I N 1.937 122.512 120.570 0.008 0.000 2.286 682 I HA -0.049 4.122 4.170 0.001 0.000 0.245 682 I C 3.129 179.230 176.117 -0.027 0.000 1.104 682 I CA 0.992 62.294 61.300 0.003 0.000 1.397 682 I CB -0.842 37.171 38.000 0.021 0.000 1.072 682 I HN 0.432 nan 8.210 nan 0.000 0.417 683 A N 0.879 123.678 122.820 -0.035 0.000 1.908 683 A HA -0.238 4.082 4.320 0.001 0.000 0.218 683 A C 2.199 179.760 177.584 -0.037 0.000 1.181 683 A CA 1.780 53.782 52.037 -0.058 0.000 0.627 683 A CB -0.620 18.358 19.000 -0.038 0.000 0.818 683 A HN 0.460 nan 8.150 nan 0.000 0.445 684 E N -0.206 119.984 120.200 -0.017 0.000 2.077 684 E HA -0.204 4.147 4.350 0.001 0.000 0.193 684 E C 1.509 178.105 176.600 -0.008 0.000 0.989 684 E CA 1.187 57.582 56.400 -0.009 0.000 0.800 684 E CB -0.251 29.448 29.700 -0.002 0.000 0.746 684 E HN 0.557 nan 8.360 nan 0.000 0.452 685 D N 0.794 121.189 120.400 -0.008 0.000 2.104 685 D HA -0.152 4.488 4.640 0.001 0.000 0.194 685 D C 2.016 178.312 176.300 -0.005 0.000 0.994 685 D CA 0.929 54.928 54.000 -0.002 0.000 0.830 685 D CB -0.270 40.533 40.800 0.005 0.000 0.959 685 D HN 0.194 nan 8.370 nan 0.000 0.452 686 I N 0.634 121.187 120.570 -0.030 0.000 2.226 686 I HA -0.234 3.937 4.170 0.001 0.000 0.245 686 I C 2.297 178.415 176.117 0.002 0.000 1.100 686 I CA 0.829 62.106 61.300 -0.037 0.000 1.374 686 I CB -0.180 37.719 38.000 -0.168 0.000 1.057 686 I HN -0.032 nan 8.210 nan 0.000 0.413 687 I N 0.327 120.894 120.570 -0.005 0.000 2.353 687 I HA -0.229 3.942 4.170 0.001 0.000 0.248 687 I C 2.451 178.570 176.117 0.003 0.000 1.119 687 I CA 1.234 62.537 61.300 0.005 0.000 1.417 687 I CB -0.391 37.610 38.000 0.001 0.000 1.078 687 I HN 0.103 nan 8.210 nan 0.000 0.421 688 K N 0.851 121.252 120.400 0.002 0.000 2.097 688 K HA -0.167 4.154 4.320 0.001 0.000 0.206 688 K C 2.210 178.813 176.600 0.005 0.000 1.049 688 K CA 1.252 57.540 56.287 0.002 0.000 0.933 688 K CB -0.026 32.475 32.500 0.002 0.000 0.717 688 K HN 0.206 nan 8.250 nan 0.000 0.442 689 K N 0.580 120.986 120.400 0.011 0.000 2.031 689 K HA -0.055 4.266 4.320 0.001 0.000 0.205 689 K C 1.555 178.165 176.600 0.016 0.000 1.049 689 K CA 1.118 57.415 56.287 0.017 0.000 0.939 689 K CB 0.050 32.568 32.500 0.029 0.000 0.717 689 K HN 0.040 nan 8.250 nan 0.000 0.438 690 N N 1.080 119.791 118.700 0.019 0.000 2.573 690 N HA -0.086 4.654 4.740 0.001 0.000 0.187 690 N C 0.664 176.167 175.510 -0.013 0.000 1.107 690 N CA 0.924 53.976 53.050 0.004 0.000 0.918 690 N CB 0.146 38.632 38.487 -0.002 0.000 0.966 690 N HN 0.153 nan 8.380 nan 0.000 0.448 691 K N -0.644 119.752 120.400 -0.007 0.000 2.374 691 K HA 0.190 4.510 4.320 0.001 0.000 0.196 691 K C 0.564 177.160 176.600 -0.007 0.000 1.023 691 K CA 0.162 56.443 56.287 -0.011 0.000 1.103 691 K CB 0.502 32.997 32.500 -0.009 0.000 0.848 691 K HN 0.118 nan 8.250 nan 0.000 0.528 692 G N 0.735 109.533 108.800 -0.003 0.000 2.176 692 G HA2 -0.279 3.681 3.960 0.001 0.000 0.252 692 G HA3 -0.279 3.681 3.960 0.001 0.000 0.252 692 G C -0.096 174.804 174.900 -0.001 0.000 1.024 692 G CA 0.678 45.777 45.100 -0.002 0.000 0.755 692 G HN 0.539 nan 8.290 nan 0.000 0.507 693 E N 0.000 120.200 120.200 -0.000 0.000 2.725 693 E HA 0.000 4.351 4.350 0.001 0.000 0.291 693 E CA 0.000 nan 56.400 nan 0.000 0.976 693 E CB 0.000 nan 29.700 nan 0.000 0.812 693 E HN 0.000 nan 8.360 nan 0.000 0.440