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 3pq8_1_B DATA FIRST_RESID 28 DATA SEQUENCE SLAPEDGSHR PAAEPTPPGA QPTAPGSLKA PDTRNEKLNS LEDVRKGSEN DATA SEQUENCE YALTTNQGVR IADDQNSLRA GSRGPTLLED FILREKITHF DHERIPERIV DATA SEQUENCE HARGSAAHGY FQPYKSLSDI TKADFLSDPN KITPVFVRFS TVQGGAGSAD DATA SEQUENCE TVRDIRGFAT KFYTEEGIFD LVGNNTPIFF IQDAHKFPDF VHAVKPEPHW DATA SEQUENCE AIPQGQSAHD TFWDYVSLQP ETLHNVMWAM SDRGIPRSYR TMEGFGCHTF DATA SEQUENCE RLINAEGKAT FVRFHWKPLA GKASLVWDEA QKLTGRDPDF HRRELWEAIE DATA SEQUENCE AGDFPEYELG FQLIPEEDEF KFDFDLLDPT KLIPEELVPV QRVGKMVLNR DATA SEQUENCE NPDNFFAENE QAAFHPGHIV PGLDFTNDPL LQGRLFSYTD TQISRLGGPN DATA SEQUENCE FHEIPINRPT APYHNFQRDG MHRMGIDTNP ANYEPNSIND NWPRETPPGP DATA SEQUENCE KRGGFESYQE RVEGNKVRER SPSFGEYYSH PRLFWLSQTP FEQRHIVDGF DATA SEQUENCE SFELSKVVRP YIRERVVDQL AHIDLTLAQA VAKNLGIELT DDQLNITPPP DATA SEQUENCE DVNGLKKDPS LSLYAIPDGD VKGRVVAILL NDEVRSADLL AILKALKAKG DATA SEQUENCE VHAKLLYSRM GEVTADDGTV LPIAATFAGA PSLTVDAVIV PAGNIADIAD DATA SEQUENCE NGDANYYLME AYKHLKPIAL AGDARKFKAT IKIADQGEEG IVEADSADGS DATA SEQUENCE FMDELLTLMA AHRVWSRIPK IDKIPA 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 28 S HA 0.000 nan 4.470 nan 0.000 0.327 28 S C 0.000 174.565 174.600 -0.059 0.000 1.055 28 S CA 0.000 58.173 58.200 -0.044 0.000 1.107 28 S CB 0.000 63.173 63.200 -0.045 0.000 0.593 29 L N 2.719 123.898 121.223 -0.074 0.000 2.416 29 L HA 0.415 4.780 4.340 0.041 0.000 0.216 29 L C 1.602 178.395 176.870 -0.128 0.000 1.098 29 L CA 0.612 55.404 54.840 -0.081 0.000 0.840 29 L CB -0.592 41.429 42.059 -0.063 0.000 0.981 29 L HN 0.782 nan 8.230 nan 0.000 0.462 30 A N 1.432 124.124 122.820 -0.214 0.000 2.406 30 A HA 0.372 4.717 4.320 0.041 0.000 0.243 30 A C -2.058 175.396 177.584 -0.217 0.000 1.082 30 A CA -0.867 50.935 52.037 -0.392 0.000 0.786 30 A CB -0.564 17.900 19.000 -0.894 0.000 1.029 30 A HN -0.016 nan 8.150 nan 0.000 0.495 31 P HA 0.139 nan 4.420 nan 0.000 0.275 31 P C 0.246 177.545 177.300 -0.001 0.000 1.227 31 P CA -0.150 62.930 63.100 -0.033 0.000 0.781 31 P CB 1.095 32.813 31.700 0.029 0.000 0.906 32 E N 2.461 122.660 120.200 -0.000 0.000 2.136 32 E HA -0.259 4.115 4.350 0.041 0.000 0.208 32 E C 1.153 177.776 176.600 0.038 0.000 1.035 32 E CA 2.227 58.635 56.400 0.013 0.000 0.838 32 E CB -0.607 29.097 29.700 0.007 0.000 0.748 32 E HN 0.605 nan 8.360 nan 0.000 0.459 33 D N -1.657 118.770 120.400 0.046 0.000 2.363 33 D HA 0.027 4.692 4.640 0.041 0.000 0.226 33 D C 1.265 177.610 176.300 0.076 0.000 1.020 33 D CA 0.972 55.002 54.000 0.050 0.000 0.892 33 D CB -0.495 40.328 40.800 0.037 0.000 0.900 33 D HN 0.285 nan 8.370 nan 0.000 0.531 34 G N 0.396 109.282 108.800 0.143 0.000 2.166 34 G HA2 -0.366 3.618 3.960 0.041 0.000 0.260 34 G HA3 -0.366 3.618 3.960 0.041 0.000 0.260 34 G C 1.014 175.974 174.900 0.101 0.000 0.986 34 G CA 0.930 46.148 45.100 0.198 0.000 0.683 34 G HN 0.735 nan 8.290 nan 0.000 0.527 35 S N 0.493 116.274 115.700 0.135 0.000 2.603 35 S HA -0.007 4.487 4.470 0.041 0.000 0.229 35 S C 1.864 176.502 174.600 0.063 0.000 0.972 35 S CA 1.069 59.304 58.200 0.059 0.000 0.935 35 S CB -0.520 62.713 63.200 0.054 0.000 0.769 35 S HN 0.925 nan 8.310 nan 0.000 0.536 36 H N 0.652 119.729 119.070 0.011 0.000 2.535 36 H HA 0.294 4.874 4.556 0.041 0.000 0.273 36 H C 0.759 176.099 175.328 0.020 0.000 0.983 36 H CA 0.166 56.222 56.048 0.013 0.000 1.238 36 H CB -0.275 29.494 29.762 0.011 0.000 1.412 36 H HN 0.335 nan 8.280 nan 0.000 0.562 37 R N 2.261 122.420 120.500 -0.570 0.000 2.295 37 R HA 0.366 4.731 4.340 0.041 0.000 0.324 37 R C -2.683 173.520 176.300 -0.161 0.000 0.968 37 R CA -2.045 53.818 56.100 -0.394 0.000 0.837 37 R CB 0.930 30.924 30.300 -0.509 0.000 1.133 37 R HN 0.081 nan 8.270 nan 0.000 0.450 38 P HA 0.107 nan 4.420 nan 0.000 0.268 38 P C -1.042 176.248 177.300 -0.016 0.000 1.205 38 P CA -0.188 62.901 63.100 -0.018 0.000 0.771 38 P CB 1.038 32.753 31.700 0.025 0.000 0.858 39 A N 2.871 125.688 122.820 -0.005 0.000 2.462 39 A HA 0.430 4.774 4.320 0.041 0.000 0.243 39 A C 0.758 178.353 177.584 0.017 0.000 1.076 39 A CA 0.041 52.078 52.037 0.000 0.000 0.773 39 A CB -0.236 18.766 19.000 0.004 0.000 1.010 39 A HN 0.559 nan 8.150 nan 0.000 0.493 40 A N 2.856 125.686 122.820 0.017 0.000 3.168 40 A HA 0.514 4.859 4.320 0.041 0.000 0.260 40 A C 0.241 177.844 177.584 0.031 0.000 1.598 40 A CA 0.007 52.061 52.037 0.028 0.000 1.285 40 A CB -0.824 18.190 19.000 0.023 0.000 1.149 40 A HN 0.876 nan 8.150 nan 0.000 0.630 41 E N -0.070 120.151 120.200 0.034 0.000 2.407 41 E HA 0.505 4.879 4.350 0.041 0.000 0.279 41 E C -3.274 173.349 176.600 0.038 0.000 1.012 41 E CA -2.415 54.006 56.400 0.035 0.000 0.800 41 E CB 1.332 31.047 29.700 0.025 0.000 1.276 41 E HN 0.112 nan 8.360 nan 0.000 0.452 42 P HA 0.058 nan 4.420 nan 0.000 0.271 42 P C -0.544 176.764 177.300 0.014 0.000 1.216 42 P CA 0.158 63.274 63.100 0.026 0.000 0.771 42 P CB 0.777 32.481 31.700 0.006 0.000 0.864 43 T N -0.035 114.522 114.554 0.006 0.000 2.916 43 T HA 0.575 4.949 4.350 0.041 0.000 0.305 43 T C -2.979 171.690 174.700 -0.052 0.000 1.119 43 T CA -2.422 59.675 62.100 -0.006 0.000 1.008 43 T CB 1.612 70.483 68.868 0.005 0.000 1.129 43 T HN 0.137 nan 8.240 nan 0.000 0.480 44 P HA 0.371 nan 4.420 nan 0.000 0.273 44 P C -2.738 174.413 177.300 -0.248 0.000 1.250 44 P CA -1.554 61.380 63.100 -0.277 0.000 0.793 44 P CB -0.967 30.638 31.700 -0.159 0.000 1.011 45 P HA 0.068 nan 4.420 nan 0.000 0.265 45 P C 1.056 178.313 177.300 -0.072 0.000 1.193 45 P CA 1.310 64.316 63.100 -0.157 0.000 0.765 45 P CB -0.189 31.425 31.700 -0.144 0.000 0.823 46 G N 2.581 111.367 108.800 -0.023 0.000 2.212 46 G HA2 -0.363 3.622 3.960 0.041 0.000 0.266 46 G HA3 -0.363 3.622 3.960 0.041 0.000 0.266 46 G C 1.148 176.046 174.900 -0.002 0.000 0.978 46 G CA 0.487 45.586 45.100 -0.002 0.000 0.632 46 G HN 0.676 nan 8.290 nan 0.000 0.537 47 A N -1.240 121.574 122.820 -0.011 0.000 2.014 47 A HA 0.400 4.745 4.320 0.041 0.000 0.218 47 A C 1.371 178.958 177.584 0.004 0.000 1.163 47 A CA 1.916 53.951 52.037 -0.003 0.000 0.652 47 A CB 0.026 19.022 19.000 -0.008 0.000 0.808 47 A HN 0.505 nan 8.150 nan 0.000 0.449 48 Q N -0.928 118.879 119.800 0.010 0.000 2.456 48 Q HA 0.437 4.801 4.340 0.041 0.000 0.283 48 Q C -2.939 173.076 176.000 0.024 0.000 1.084 48 Q CA -2.087 53.726 55.803 0.017 0.000 0.801 48 Q CB 1.019 29.770 28.738 0.021 0.000 1.434 48 Q HN 0.072 nan 8.270 nan 0.000 0.419 49 P HA 0.033 nan 4.420 nan 0.000 0.268 49 P C -0.229 177.103 177.300 0.054 0.000 1.205 49 P CA 0.055 63.170 63.100 0.026 0.000 0.771 49 P CB 0.226 31.939 31.700 0.021 0.000 0.858 50 T N -0.628 113.958 114.554 0.054 0.000 2.813 50 T HA 0.614 4.989 4.350 0.041 0.000 0.297 50 T C -0.023 174.766 174.700 0.148 0.000 1.036 50 T CA -0.526 61.658 62.100 0.140 0.000 1.044 50 T CB 0.703 69.606 68.868 0.059 0.000 0.993 50 T HN 0.576 nan 8.240 nan 0.000 0.535 51 A N 1.624 124.629 122.820 0.308 0.000 2.587 51 A HA 0.781 5.125 4.320 0.041 0.000 0.293 51 A C -2.980 174.865 177.584 0.435 0.000 1.087 51 A CA -2.028 50.167 52.037 0.264 0.000 0.692 51 A CB 0.750 19.854 19.000 0.173 0.000 1.291 51 A HN 0.686 nan 8.150 nan 0.000 0.407 52 P HA 0.109 nan 4.420 nan 0.000 0.266 52 P C 1.111 178.564 177.300 0.256 0.000 1.193 52 P CA 0.808 64.125 63.100 0.362 0.000 0.770 52 P CB 0.516 32.351 31.700 0.225 0.000 0.836 53 G N 1.675 110.584 108.800 0.181 0.000 2.422 53 G HA2 -0.231 3.754 3.960 0.041 0.000 0.218 53 G HA3 -0.231 3.754 3.960 0.041 0.000 0.218 53 G C 1.511 176.428 174.900 0.029 0.000 1.140 53 G CA 0.895 46.016 45.100 0.035 0.000 0.775 53 G HN 0.597 nan 8.290 nan 0.000 0.545 54 S N 0.058 115.779 115.700 0.036 0.000 2.481 54 S HA 0.129 4.624 4.470 0.041 0.000 0.231 54 S C 2.166 176.786 174.600 0.034 0.000 0.996 54 S CA 0.590 58.797 58.200 0.012 0.000 0.942 54 S CB -0.173 63.027 63.200 0.000 0.000 0.768 54 S HN 0.303 nan 8.310 nan 0.000 0.520 55 L N -0.257 121.004 121.223 0.063 0.000 2.298 55 L HA 0.265 4.630 4.340 0.041 0.000 0.209 55 L C 2.671 179.577 176.870 0.060 0.000 1.084 55 L CA 0.678 55.555 54.840 0.062 0.000 0.816 55 L CB -0.318 41.787 42.059 0.076 0.000 0.967 55 L HN 0.225 nan 8.230 nan 0.000 0.460 56 K N 1.475 121.921 120.400 0.076 0.000 2.062 56 K HA 0.039 4.384 4.320 0.041 0.000 0.205 56 K C 0.751 177.383 176.600 0.053 0.000 1.051 56 K CA 1.280 57.611 56.287 0.074 0.000 0.941 56 K CB 0.088 32.647 32.500 0.099 0.000 0.719 56 K HN 0.146 nan 8.250 nan 0.000 0.440 57 A N 0.746 123.589 122.820 0.039 0.000 3.317 57 A HA 0.353 4.698 4.320 0.041 0.000 0.307 57 A C -2.196 175.395 177.584 0.010 0.000 1.003 57 A CA -0.994 51.062 52.037 0.032 0.000 0.882 57 A CB 0.584 19.607 19.000 0.038 0.000 1.136 57 A HN 0.120 nan 8.150 nan 0.000 0.488 58 P HA -0.111 nan 4.420 nan 0.000 0.222 58 P C 0.060 177.355 177.300 -0.009 0.000 1.147 58 P CA 1.238 64.339 63.100 0.001 0.000 0.790 58 P CB 0.325 32.029 31.700 0.008 0.000 0.780 59 D N -1.224 119.175 120.400 -0.002 0.000 2.363 59 D HA 0.040 4.705 4.640 0.041 0.000 0.214 59 D C 0.162 176.451 176.300 -0.018 0.000 1.093 59 D CA 0.405 54.400 54.000 -0.009 0.000 0.837 59 D CB -0.215 40.586 40.800 0.002 0.000 0.948 59 D HN 0.076 nan 8.370 nan 0.000 0.507 60 T N 2.638 117.177 114.554 -0.024 0.000 2.737 60 T HA 0.287 4.662 4.350 0.041 0.000 0.296 60 T C 0.444 175.101 174.700 -0.072 0.000 0.922 60 T CA -0.337 61.736 62.100 -0.046 0.000 1.079 60 T CB 0.972 69.809 68.868 -0.051 0.000 0.892 60 T HN -0.141 nan 8.240 nan 0.000 0.514 61 R N 3.190 123.642 120.500 -0.081 0.000 2.795 61 R HA 0.634 4.999 4.340 0.041 0.000 0.275 61 R C -0.497 175.745 176.300 -0.097 0.000 0.981 61 R CA -0.998 55.048 56.100 -0.090 0.000 0.917 61 R CB 1.876 32.131 30.300 -0.075 0.000 1.202 61 R HN 0.808 nan 8.270 nan 0.000 0.469 62 N N -1.999 116.646 118.700 -0.092 0.000 2.934 62 N HA 0.053 4.817 4.740 0.041 0.000 0.253 62 N C 0.268 175.733 175.510 -0.075 0.000 1.466 62 N CA -0.821 52.187 53.050 -0.070 0.000 0.858 62 N CB 0.853 39.329 38.487 -0.018 0.000 1.459 62 N HN 0.569 nan 8.380 nan 0.000 0.532 63 E N -0.277 119.893 120.200 -0.050 0.000 2.085 63 E HA -0.286 4.089 4.350 0.041 0.000 0.194 63 E C 1.044 177.574 176.600 -0.117 0.000 0.994 63 E CA 1.551 57.916 56.400 -0.058 0.000 0.801 63 E CB 0.081 29.772 29.700 -0.014 0.000 0.743 63 E HN 0.507 nan 8.360 nan 0.000 0.453 64 K N 0.601 120.895 120.400 -0.176 0.000 2.062 64 K HA -0.068 4.277 4.320 0.041 0.000 0.205 64 K C 2.084 178.515 176.600 -0.282 0.000 1.051 64 K CA 1.026 57.108 56.287 -0.341 0.000 0.941 64 K CB -0.346 31.779 32.500 -0.624 0.000 0.719 64 K HN 0.162 nan 8.250 nan 0.000 0.440 65 L N 0.842 121.917 121.223 -0.248 0.000 2.046 65 L HA -0.203 4.162 4.340 0.041 0.000 0.208 65 L C 1.857 178.612 176.870 -0.192 0.000 1.077 65 L CA 1.241 55.912 54.840 -0.281 0.000 0.747 65 L CB -0.574 41.313 42.059 -0.286 0.000 0.896 65 L HN 0.262 nan 8.230 nan 0.000 0.432 66 N N -0.327 118.286 118.700 -0.146 0.000 2.142 66 N HA -0.155 4.610 4.740 0.041 0.000 0.186 66 N C 2.069 177.519 175.510 -0.101 0.000 1.023 66 N CA 1.671 54.657 53.050 -0.106 0.000 0.852 66 N CB -0.445 37.993 38.487 -0.081 0.000 0.998 66 N HN 0.344 nan 8.380 nan 0.000 0.424 67 S N 0.454 116.085 115.700 -0.116 0.000 2.474 67 S HA 0.011 4.505 4.470 0.041 0.000 0.235 67 S C 1.813 176.350 174.600 -0.106 0.000 0.997 67 S CA 0.447 58.586 58.200 -0.102 0.000 0.949 67 S CB -0.481 62.654 63.200 -0.108 0.000 0.766 67 S HN 0.250 nan 8.310 nan 0.000 0.517 68 L N 0.739 121.884 121.223 -0.131 0.000 2.552 68 L HA 0.156 4.520 4.340 0.041 0.000 0.227 68 L C 2.667 179.487 176.870 -0.083 0.000 1.146 68 L CA 0.598 55.368 54.840 -0.116 0.000 0.858 68 L CB -0.395 41.575 42.059 -0.148 0.000 0.969 68 L HN 0.278 nan 8.230 nan 0.000 0.451 69 E N 1.127 121.281 120.200 -0.076 0.000 2.160 69 E HA -0.265 4.110 4.350 0.041 0.000 0.195 69 E C 1.656 178.233 176.600 -0.039 0.000 0.991 69 E CA 1.593 57.962 56.400 -0.052 0.000 0.810 69 E CB -0.093 29.579 29.700 -0.046 0.000 0.742 69 E HN 0.583 nan 8.360 nan 0.000 0.466 70 D N -0.609 119.766 120.400 -0.042 0.000 2.309 70 D HA -0.138 4.526 4.640 0.041 0.000 0.212 70 D C 1.612 177.894 176.300 -0.031 0.000 0.968 70 D CA 1.506 55.486 54.000 -0.033 0.000 0.882 70 D CB -0.297 40.484 40.800 -0.033 0.000 0.918 70 D HN 0.314 nan 8.370 nan 0.000 0.503 71 V N -3.656 116.237 119.914 -0.034 0.000 3.605 71 V HA 0.318 4.462 4.120 0.041 0.000 0.284 71 V C 0.859 176.940 176.094 -0.021 0.000 1.386 71 V CA -0.677 61.606 62.300 -0.028 0.000 1.053 71 V CB -0.403 31.402 31.823 -0.029 0.000 0.857 71 V HN -0.161 nan 8.190 nan 0.000 0.436 72 R N 2.083 122.570 120.500 -0.021 0.000 2.537 72 R HA 0.392 4.757 4.340 0.041 0.000 0.280 72 R C -0.206 176.089 176.300 -0.008 0.000 1.058 72 R CA 0.159 56.254 56.100 -0.008 0.000 1.057 72 R CB 0.618 30.914 30.300 -0.006 0.000 0.973 72 R HN 0.369 nan 8.270 nan 0.000 0.438 73 K N 1.188 121.587 120.400 -0.002 0.000 2.376 73 K HA 0.319 4.663 4.320 0.041 0.000 0.257 73 K C -0.032 176.577 176.600 0.015 0.000 0.939 73 K CA -0.428 55.847 56.287 -0.020 0.000 0.809 73 K CB 1.803 34.273 32.500 -0.048 0.000 1.121 73 K HN 0.729 nan 8.250 nan 0.000 0.425 74 G N 0.487 109.315 108.800 0.047 0.000 2.582 74 G HA2 0.231 4.216 3.960 0.041 0.000 0.232 74 G HA3 0.231 4.216 3.960 0.041 0.000 0.232 74 G C 0.343 175.344 174.900 0.167 0.000 1.458 74 G CA 0.296 45.476 45.100 0.134 0.000 1.062 74 G HN 0.711 nan 8.290 nan 0.000 0.566 75 S N -2.705 113.177 115.700 0.303 0.000 2.302 75 S HA 0.108 4.603 4.470 0.041 0.000 0.258 75 S C 0.175 174.946 174.600 0.285 0.000 0.957 75 S CA -0.161 58.215 58.200 0.294 0.000 1.330 75 S CB 0.020 63.305 63.200 0.143 0.000 0.982 75 S HN 0.503 nan 8.310 nan 0.000 0.459 76 E N 3.082 123.372 120.200 0.150 0.000 2.376 76 E HA 0.309 4.684 4.350 0.041 0.000 0.266 76 E C -0.256 176.270 176.600 -0.123 0.000 1.009 76 E CA 0.047 56.462 56.400 0.025 0.000 0.902 76 E CB 0.074 29.779 29.700 0.008 0.000 0.972 76 E HN 0.367 nan 8.360 nan 0.000 0.439 77 N N 0.760 119.398 118.700 -0.103 0.000 2.878 77 N HA -0.207 4.558 4.740 0.041 0.000 0.247 77 N C -1.173 174.202 175.510 -0.225 0.000 1.021 77 N CA 1.139 54.081 53.050 -0.181 0.000 0.873 77 N CB -1.318 37.015 38.487 -0.257 0.000 1.128 77 N HN 0.395 nan 8.380 nan 0.000 0.571 78 Y N 0.535 120.840 120.300 0.009 0.000 2.457 78 Y HA 0.646 5.221 4.550 0.042 0.000 0.333 78 Y C 0.848 176.751 175.900 0.005 0.000 1.119 78 Y CA -0.657 57.447 58.100 0.007 0.000 1.143 78 Y CB 1.134 39.599 38.460 0.008 0.000 1.230 78 Y HN 0.117 nan 8.280 nan 0.000 0.469 79 A N 2.589 125.522 122.820 0.188 0.000 2.425 79 A HA 0.389 4.734 4.320 0.041 0.000 0.249 79 A C -0.703 176.928 177.584 0.079 0.000 1.084 79 A CA -0.497 51.600 52.037 0.100 0.000 0.781 79 A CB 0.042 19.088 19.000 0.076 0.000 1.019 79 A HN 0.703 nan 8.150 nan 0.000 0.490 80 L N 3.142 124.393 121.223 0.047 0.000 2.410 80 L HA 0.472 4.837 4.340 0.041 0.000 0.273 80 L C 0.705 177.584 176.870 0.015 0.000 1.144 80 L CA 1.260 56.114 54.840 0.024 0.000 0.863 80 L CB 0.204 42.269 42.059 0.010 0.000 1.140 80 L HN 0.923 nan 8.230 nan 0.000 0.463 81 T N 0.346 114.903 114.554 0.006 0.000 2.864 81 T HA 0.673 5.048 4.350 0.041 0.000 0.289 81 T C 0.223 174.926 174.700 0.006 0.000 1.082 81 T CA -0.195 61.911 62.100 0.010 0.000 1.009 81 T CB 0.974 69.850 68.868 0.014 0.000 1.234 81 T HN 0.764 nan 8.240 nan 0.000 0.526 82 T N 0.145 114.718 114.554 0.031 0.000 2.698 82 T HA 0.222 4.596 4.350 0.041 0.000 0.295 82 T C 1.075 175.793 174.700 0.030 0.000 1.007 82 T CA -0.526 61.601 62.100 0.045 0.000 0.980 82 T CB -0.111 68.831 68.868 0.123 0.000 1.036 82 T HN 0.564 nan 8.240 nan 0.000 0.526 83 N N 0.491 119.212 118.700 0.035 0.000 2.453 83 N HA -0.070 4.695 4.740 0.041 0.000 0.183 83 N C 1.529 177.059 175.510 0.034 0.000 1.041 83 N CA 0.598 53.660 53.050 0.021 0.000 0.900 83 N CB -0.172 38.336 38.487 0.035 0.000 0.961 83 N HN 0.558 nan 8.380 nan 0.000 0.443 84 Q N -0.597 119.237 119.800 0.056 0.000 2.360 84 Q HA 0.200 4.565 4.340 0.041 0.000 0.202 84 Q C 0.784 176.808 176.000 0.039 0.000 0.915 84 Q CA 0.188 56.019 55.803 0.047 0.000 0.943 84 Q CB 0.553 29.325 28.738 0.056 0.000 1.064 84 Q HN 0.403 nan 8.270 nan 0.000 0.511 85 G N 0.358 109.180 108.800 0.036 0.000 2.141 85 G HA2 -0.224 3.761 3.960 0.041 0.000 0.231 85 G HA3 -0.224 3.761 3.960 0.041 0.000 0.231 85 G C 0.053 174.978 174.900 0.043 0.000 0.984 85 G CA 0.048 45.164 45.100 0.026 0.000 0.660 85 G HN 0.209 nan 8.290 nan 0.000 0.525 86 V N 1.760 121.715 119.914 0.070 0.000 2.432 86 V HA 0.414 4.559 4.120 0.041 0.000 0.275 86 V C 1.210 177.346 176.094 0.070 0.000 1.043 86 V CA -0.648 61.706 62.300 0.090 0.000 0.925 86 V CB 1.198 33.120 31.823 0.165 0.000 0.985 86 V HN 0.385 nan 8.190 nan 0.000 0.466 87 R N 4.288 124.821 120.500 0.056 0.000 2.537 87 R HA 0.398 4.763 4.340 0.041 0.000 0.280 87 R C -0.544 175.773 176.300 0.027 0.000 1.058 87 R CA -0.092 56.031 56.100 0.038 0.000 1.057 87 R CB 0.588 30.910 30.300 0.036 0.000 0.973 87 R HN 0.584 nan 8.270 nan 0.000 0.438 88 I N 2.151 122.725 120.570 0.006 0.000 2.353 88 I HA 0.134 4.328 4.170 0.041 0.000 0.293 88 I C 0.976 177.084 176.117 -0.016 0.000 0.992 88 I CA -0.047 61.241 61.300 -0.020 0.000 1.268 88 I CB 1.885 39.861 38.000 -0.040 0.000 1.387 88 I HN 0.770 nan 8.210 nan 0.000 0.478 89 A N 4.056 126.863 122.820 -0.021 0.000 1.911 89 A HA -0.011 4.334 4.320 0.041 0.000 0.212 89 A C 0.737 178.307 177.584 -0.024 0.000 1.189 89 A CA 1.000 53.028 52.037 -0.016 0.000 0.639 89 A CB 0.023 19.017 19.000 -0.011 0.000 0.839 89 A HN 0.693 nan 8.150 nan 0.000 0.449 90 D N -0.554 119.823 120.400 -0.038 0.000 2.420 90 D HA 0.310 4.975 4.640 0.041 0.000 0.255 90 D C -1.162 175.106 176.300 -0.053 0.000 1.185 90 D CA -0.383 53.593 54.000 -0.040 0.000 0.904 90 D CB 1.015 41.792 40.800 -0.038 0.000 1.102 90 D HN 0.058 nan 8.370 nan 0.000 0.534 91 D N 1.830 122.202 120.400 -0.047 0.000 2.336 91 D HA 0.027 4.691 4.640 0.041 0.000 0.228 91 D C 0.767 177.036 176.300 -0.052 0.000 1.120 91 D CA 0.378 54.347 54.000 -0.053 0.000 0.839 91 D CB 0.516 41.290 40.800 -0.043 0.000 0.932 91 D HN 0.258 nan 8.370 nan 0.000 0.509 92 Q N -0.659 119.112 119.800 -0.048 0.000 2.317 92 Q HA 0.248 4.613 4.340 0.041 0.000 0.220 92 Q C -0.116 175.855 176.000 -0.049 0.000 0.873 92 Q CA 0.225 56.000 55.803 -0.046 0.000 0.936 92 Q CB 0.759 29.475 28.738 -0.038 0.000 1.105 92 Q HN 0.196 nan 8.270 nan 0.000 0.520 93 N N 0.046 118.715 118.700 -0.052 0.000 2.277 93 N HA 0.300 5.065 4.740 0.041 0.000 0.286 93 N C -0.990 174.485 175.510 -0.058 0.000 1.140 93 N CA -0.257 52.763 53.050 -0.050 0.000 0.799 93 N CB 2.109 40.572 38.487 -0.041 0.000 1.596 93 N HN -0.178 nan 8.380 nan 0.000 0.473 94 S N 0.750 116.418 115.700 -0.053 0.000 2.603 94 S HA 0.259 4.753 4.470 0.041 0.000 0.268 94 S C 0.187 174.760 174.600 -0.044 0.000 1.317 94 S CA -0.556 57.613 58.200 -0.053 0.000 1.012 94 S CB 0.685 63.860 63.200 -0.041 0.000 0.926 94 S HN 0.398 nan 8.310 nan 0.000 0.539 95 L N 3.525 124.722 121.223 -0.044 0.000 2.319 95 L HA 0.441 4.806 4.340 0.041 0.000 0.280 95 L C 0.056 176.917 176.870 -0.015 0.000 1.099 95 L CA 0.366 55.189 54.840 -0.028 0.000 0.828 95 L CB -0.040 42.003 42.059 -0.026 0.000 1.150 95 L HN 0.748 nan 8.230 nan 0.000 0.442 96 R N 4.178 124.672 120.500 -0.011 0.000 2.774 96 R HA 0.854 5.218 4.340 0.041 0.000 0.272 96 R C -1.252 175.046 176.300 -0.002 0.000 1.000 96 R CA -0.812 55.284 56.100 -0.006 0.000 0.906 96 R CB 1.181 31.475 30.300 -0.010 0.000 1.227 96 R HN 0.597 nan 8.270 nan 0.000 0.468 97 A N 1.443 124.263 122.820 0.000 0.000 2.527 97 A HA 0.602 4.947 4.320 0.041 0.000 0.313 97 A C 0.633 178.217 177.584 -0.000 0.000 1.410 97 A CA 0.299 52.338 52.037 0.002 0.000 1.060 97 A CB -0.829 18.174 19.000 0.004 0.000 1.137 97 A HN 1.279 nan 8.150 nan 0.000 0.542 98 G N 1.181 109.980 108.800 -0.001 0.000 2.712 98 G HA2 0.034 4.018 3.960 0.041 0.000 0.686 98 G HA3 0.034 4.018 3.960 0.041 0.000 0.686 98 G C 0.669 175.566 174.900 -0.005 0.000 1.321 98 G CA 0.141 45.239 45.100 -0.003 0.000 0.813 98 G HN 1.856 nan 8.290 nan 0.000 0.599 99 S N -0.477 115.219 115.700 -0.007 0.000 2.522 99 S HA 0.051 4.545 4.470 0.041 0.000 0.227 99 S C 1.517 176.111 174.600 -0.010 0.000 0.986 99 S CA 1.240 59.434 58.200 -0.009 0.000 0.929 99 S CB 0.094 63.288 63.200 -0.010 0.000 0.769 99 S HN 0.741 nan 8.310 nan 0.000 0.529 100 R N 0.890 121.385 120.500 -0.008 0.000 2.586 100 R HA 0.338 4.703 4.340 0.041 0.000 0.336 100 R C 0.913 177.209 176.300 -0.006 0.000 1.060 100 R CA 0.042 56.137 56.100 -0.008 0.000 1.079 100 R CB 0.737 31.033 30.300 -0.007 0.000 1.317 100 R HN 0.441 nan 8.270 nan 0.000 0.568 101 G N 1.782 110.578 108.800 -0.006 0.000 2.568 101 G HA2 0.366 4.351 3.960 0.041 0.000 0.293 101 G HA3 0.366 4.351 3.960 0.041 0.000 0.293 101 G C -2.381 172.516 174.900 -0.004 0.000 1.347 101 G CA -1.084 44.014 45.100 -0.004 0.000 1.039 101 G HN -0.097 nan 8.290 nan 0.000 0.523 102 P HA 0.224 nan 4.420 nan 0.000 0.275 102 P C -0.198 177.101 177.300 -0.001 0.000 1.228 102 P CA -0.076 63.023 63.100 -0.001 0.000 0.786 102 P CB 0.816 32.517 31.700 0.002 0.000 0.927 103 T N 2.814 117.367 114.554 -0.002 0.000 2.901 103 T HA 0.249 4.623 4.350 0.041 0.000 0.301 103 T C 0.510 175.212 174.700 0.005 0.000 1.012 103 T CA -0.162 61.936 62.100 -0.003 0.000 1.135 103 T CB 0.028 68.891 68.868 -0.007 0.000 0.936 103 T HN 0.191 nan 8.240 nan 0.000 0.539 104 L N 3.585 124.813 121.223 0.007 0.000 2.334 104 L HA 0.285 4.649 4.340 0.041 0.000 0.277 104 L C 1.406 178.293 176.870 0.028 0.000 1.075 104 L CA -0.741 54.109 54.840 0.018 0.000 0.804 104 L CB 0.914 42.985 42.059 0.021 0.000 1.174 104 L HN 0.527 nan 8.230 nan 0.000 0.438 105 L N 2.478 123.721 121.223 0.034 0.000 2.265 105 L HA -0.178 4.187 4.340 0.041 0.000 0.215 105 L C 2.249 179.159 176.870 0.067 0.000 1.117 105 L CA 1.586 56.452 54.840 0.044 0.000 0.782 105 L CB -0.573 41.510 42.059 0.039 0.000 0.914 105 L HN 0.780 nan 8.230 nan 0.000 0.441 106 E N -1.565 118.679 120.200 0.074 0.000 2.511 106 E HA -0.154 4.221 4.350 0.041 0.000 0.196 106 E C 0.129 176.832 176.600 0.172 0.000 1.066 106 E CA 0.146 56.617 56.400 0.119 0.000 0.871 106 E CB -0.485 29.278 29.700 0.104 0.000 0.863 106 E HN 0.362 nan 8.360 nan 0.000 0.520 107 D N 1.226 121.680 120.400 0.090 0.000 2.455 107 D HA -0.038 4.627 4.640 0.041 0.000 0.234 107 D C 0.385 176.701 176.300 0.026 0.000 1.224 107 D CA -0.512 53.493 54.000 0.009 0.000 0.999 107 D CB -0.154 40.621 40.800 -0.041 0.000 1.072 107 D HN 0.316 nan 8.370 nan 0.000 0.514 108 F N 2.024 121.983 119.950 0.015 0.000 2.558 108 F HA 0.145 4.696 4.527 0.041 0.000 0.298 108 F C 1.552 177.365 175.800 0.022 0.000 1.119 108 F CA 0.017 58.029 58.000 0.020 0.000 1.451 108 F CB -0.505 38.506 39.000 0.018 0.000 1.091 108 F HN 0.177 nan 8.300 nan 0.000 0.563 109 I N 0.392 120.531 120.570 -0.719 0.000 2.233 109 I HA -0.181 4.013 4.170 0.041 0.000 0.243 109 I C 2.465 178.468 176.117 -0.190 0.000 1.093 109 I CA 0.954 61.961 61.300 -0.488 0.000 1.380 109 I CB -0.497 37.166 38.000 -0.561 0.000 1.067 109 I HN 0.277 nan 8.210 nan 0.000 0.413 110 L N 1.186 122.311 121.223 -0.163 0.000 1.989 110 L HA -0.207 4.158 4.340 0.041 0.000 0.211 110 L C 2.633 179.491 176.870 -0.020 0.000 1.071 110 L CA 1.911 56.704 54.840 -0.079 0.000 0.749 110 L CB -0.581 41.439 42.059 -0.065 0.000 0.890 110 L HN 0.049 nan 8.230 nan 0.000 0.431 111 R N -0.688 119.818 120.500 0.011 0.000 2.092 111 R HA -0.156 4.208 4.340 0.041 0.000 0.231 111 R C 2.325 178.680 176.300 0.092 0.000 1.119 111 R CA 1.429 57.567 56.100 0.062 0.000 0.970 111 R CB -0.340 30.013 30.300 0.088 0.000 0.864 111 R HN 0.575 nan 8.270 nan 0.000 0.440 112 E N 1.132 121.392 120.200 0.099 0.000 2.051 112 E HA -0.253 4.122 4.350 0.041 0.000 0.192 112 E C 1.917 178.595 176.600 0.130 0.000 0.991 112 E CA 1.321 57.798 56.400 0.128 0.000 0.799 112 E CB 0.094 29.873 29.700 0.132 0.000 0.748 112 E HN 0.137 nan 8.360 nan 0.000 0.449 113 K N 0.224 120.670 120.400 0.075 0.000 2.032 113 K HA -0.163 4.182 4.320 0.041 0.000 0.209 113 K C 2.107 178.785 176.600 0.130 0.000 1.048 113 K CA 1.452 57.784 56.287 0.075 0.000 0.927 113 K CB -0.034 32.469 32.500 0.004 0.000 0.712 113 K HN 0.159 nan 8.250 nan 0.000 0.441 114 I N 1.122 121.750 120.570 0.097 0.000 2.353 114 I HA -0.170 4.025 4.170 0.041 0.000 0.248 114 I C 2.156 178.382 176.117 0.182 0.000 1.119 114 I CA 1.254 62.631 61.300 0.128 0.000 1.417 114 I CB -1.468 36.568 38.000 0.061 0.000 1.078 114 I HN 0.217 nan 8.210 nan 0.000 0.421 115 T N -0.106 114.546 114.554 0.163 0.000 2.684 115 T HA -0.242 4.133 4.350 0.041 0.000 0.267 115 T C 1.962 176.794 174.700 0.219 0.000 1.036 115 T CA 1.579 63.796 62.100 0.195 0.000 1.148 115 T CB -0.446 68.544 68.868 0.202 0.000 0.863 115 T HN 0.349 nan 8.240 nan 0.000 0.436 116 H N -0.122 119.040 119.070 0.153 0.000 2.326 116 H HA -0.053 4.528 4.556 0.042 0.000 0.301 116 H C 2.215 177.593 175.328 0.084 0.000 1.081 116 H CA 1.550 57.672 56.048 0.122 0.000 1.334 116 H CB -0.481 29.335 29.762 0.089 0.000 1.385 116 H HN 0.383 nan 8.280 nan 0.000 0.504 117 F N 2.156 122.169 119.950 0.105 0.000 2.091 117 F HA -0.246 4.308 4.527 0.044 0.000 0.299 117 F C 1.965 177.710 175.800 -0.091 0.000 1.103 117 F CA 2.039 60.046 58.000 0.012 0.000 1.228 117 F CB -0.359 38.642 39.000 0.002 0.000 0.984 117 F HN 0.098 nan 8.300 nan 0.000 0.477 118 D N -1.397 118.914 120.400 -0.147 0.000 2.310 118 D HA -0.111 4.554 4.640 0.041 0.000 0.212 118 D C 1.093 176.978 176.300 -0.692 0.000 0.965 118 D CA 1.069 54.815 54.000 -0.423 0.000 0.879 118 D CB -0.341 40.199 40.800 -0.433 0.000 0.921 118 D HN 0.500 nan 8.370 nan 0.000 0.510 119 H N -0.466 118.484 119.070 -0.200 0.000 2.510 119 H HA 0.232 4.812 4.556 0.040 0.000 0.266 119 H C 0.934 176.102 175.328 -0.267 0.000 1.146 119 H CA -0.112 55.816 56.048 -0.200 0.000 0.993 119 H CB 0.499 30.165 29.762 -0.161 0.000 1.727 119 H HN 0.252 nan 8.280 nan 0.000 0.590 120 E N 0.639 120.672 120.200 -0.278 0.000 2.150 120 E HA -0.036 4.339 4.350 0.041 0.000 0.193 120 E C 0.525 176.972 176.600 -0.255 0.000 0.985 120 E CA 0.540 56.752 56.400 -0.314 0.000 0.814 120 E CB 0.485 29.974 29.700 -0.352 0.000 0.752 120 E HN 0.146 nan 8.360 nan 0.000 0.466 121 R N 1.132 121.539 120.500 -0.155 0.000 2.459 121 R HA 0.378 4.743 4.340 0.041 0.000 0.281 121 R C 0.414 176.750 176.300 0.059 0.000 1.050 121 R CA -0.295 55.787 56.100 -0.030 0.000 1.055 121 R CB 0.790 31.066 30.300 -0.040 0.000 1.045 121 R HN 0.154 nan 8.270 nan 0.000 0.495 122 I N -1.109 119.559 120.570 0.162 0.000 2.957 122 I HA 0.607 4.802 4.170 0.041 0.000 0.310 122 I C -2.251 173.926 176.117 0.100 0.000 1.063 122 I CA -2.897 58.487 61.300 0.140 0.000 1.033 122 I CB 1.866 39.983 38.000 0.194 0.000 1.230 122 I HN 0.245 nan 8.210 nan 0.000 0.447 123 P HA 0.112 nan 4.420 nan 0.000 0.269 123 P C -0.994 176.335 177.300 0.048 0.000 1.209 123 P CA -0.106 63.021 63.100 0.045 0.000 0.776 123 P CB 0.436 32.152 31.700 0.027 0.000 0.876 124 E N 2.257 122.487 120.200 0.050 0.000 2.345 124 E HA 0.249 4.624 4.350 0.041 0.000 0.259 124 E C -0.490 176.134 176.600 0.041 0.000 1.117 124 E CA -0.902 55.532 56.400 0.057 0.000 0.913 124 E CB 0.660 30.401 29.700 0.068 0.000 1.057 124 E HN 0.243 nan 8.360 nan 0.000 0.432 125 R N 0.747 121.277 120.500 0.049 0.000 2.623 125 R HA 0.006 4.371 4.340 0.041 0.000 0.271 125 R C 1.306 177.639 176.300 0.055 0.000 1.043 125 R CA -0.419 55.708 56.100 0.044 0.000 1.083 125 R CB 0.260 30.605 30.300 0.076 0.000 0.974 125 R HN 0.573 nan 8.270 nan 0.000 0.436 126 I N 1.686 122.283 120.570 0.044 0.000 2.208 126 I HA -0.146 4.049 4.170 0.041 0.000 0.245 126 I C 1.221 177.390 176.117 0.087 0.000 1.097 126 I CA 1.554 62.890 61.300 0.060 0.000 1.363 126 I CB -1.070 36.969 38.000 0.065 0.000 1.051 126 I HN 0.394 nan 8.210 nan 0.000 0.413 127 V N -3.242 116.758 119.914 0.144 0.000 3.040 127 V HA 0.508 4.653 4.120 0.041 0.000 0.312 127 V C 0.396 176.666 176.094 0.293 0.000 1.115 127 V CA -0.867 61.549 62.300 0.194 0.000 0.998 127 V CB 1.727 33.739 31.823 0.315 0.000 1.042 127 V HN 0.443 nan 8.190 nan 0.000 0.433 128 H N 0.285 119.418 119.070 0.104 0.000 2.862 128 H HA -0.225 4.353 4.556 0.036 0.000 0.290 128 H C 1.557 176.931 175.328 0.077 0.000 1.211 128 H CA 0.700 56.803 56.048 0.092 0.000 1.140 128 H CB -1.234 28.572 29.762 0.074 0.000 1.341 128 H HN 1.156 nan 8.280 nan 0.000 0.392 129 A N 0.743 123.652 122.820 0.149 0.000 1.978 129 A HA -0.125 4.220 4.320 0.041 0.000 0.220 129 A C 1.691 179.364 177.584 0.147 0.000 1.170 129 A CA 1.407 53.520 52.037 0.126 0.000 0.636 129 A CB -0.091 18.963 19.000 0.089 0.000 0.810 129 A HN 0.279 nan 8.150 nan 0.000 0.448 130 R N 0.052 120.640 120.500 0.147 0.000 2.202 130 R HA 0.524 4.888 4.340 0.041 0.000 0.334 130 R C -0.145 176.278 176.300 0.205 0.000 1.036 130 R CA 0.684 56.889 56.100 0.174 0.000 0.878 130 R CB 0.409 30.799 30.300 0.150 0.000 1.067 130 R HN 0.358 nan 8.270 nan 0.000 0.457 131 G N 0.816 109.764 108.800 0.246 0.000 2.632 131 G HA2 0.495 4.480 3.960 0.041 0.000 0.292 131 G HA3 0.495 4.480 3.960 0.041 0.000 0.292 131 G C -1.654 173.401 174.900 0.258 0.000 1.465 131 G CA -0.599 44.617 45.100 0.192 0.000 0.824 131 G HN 0.510 nan 8.290 nan 0.000 0.509 132 S N -1.087 114.713 115.700 0.166 0.000 2.541 132 S HA 0.901 5.395 4.470 0.041 0.000 0.280 132 S C -0.208 174.405 174.600 0.022 0.000 1.112 132 S CA -0.123 58.237 58.200 0.265 0.000 0.925 132 S CB 1.794 65.253 63.200 0.432 0.000 1.067 132 S HN 1.666 nan 8.310 nan 0.000 0.479 133 A N 1.413 124.213 122.820 -0.033 0.000 2.498 133 A HA 1.023 5.368 4.320 0.041 0.000 0.298 133 A C -0.953 176.426 177.584 -0.341 0.000 1.075 133 A CA -0.721 51.059 52.037 -0.428 0.000 0.714 133 A CB 1.631 20.212 19.000 -0.699 0.000 1.299 133 A HN 1.377 nan 8.150 nan 0.000 0.407 134 A N 0.745 123.208 122.820 -0.595 0.000 2.606 134 A HA 0.711 5.056 4.320 0.041 0.000 0.293 134 A C -1.130 176.272 177.584 -0.303 0.000 1.082 134 A CA -0.655 51.209 52.037 -0.289 0.000 0.685 134 A CB 0.766 19.681 19.000 -0.141 0.000 1.284 134 A HN 0.879 nan 8.150 nan 0.000 0.408 135 H N -0.149 118.954 119.070 0.054 0.000 2.511 135 H HA 0.644 5.226 4.556 0.043 0.000 0.346 135 H C 0.670 175.996 175.328 -0.004 0.000 1.128 135 H CA 1.099 57.229 56.048 0.136 0.000 1.342 135 H CB 1.782 31.612 29.762 0.113 0.000 1.470 135 H HN 1.117 nan 8.280 nan 0.000 0.546 136 G N 1.063 109.955 108.800 0.153 0.000 2.588 136 G HA2 0.371 4.356 3.960 0.041 0.000 0.281 136 G HA3 0.371 4.356 3.960 0.041 0.000 0.281 136 G C -1.955 173.074 174.900 0.214 0.000 1.223 136 G CA -0.577 44.574 45.100 0.083 0.000 0.871 136 G HN 0.623 nan 8.290 nan 0.000 0.492 137 Y N -1.854 118.481 120.300 0.059 0.000 2.609 137 Y HA 0.820 5.394 4.550 0.041 0.000 0.336 137 Y C -1.869 174.169 175.900 0.230 0.000 1.129 137 Y CA -1.973 56.208 58.100 0.135 0.000 1.040 137 Y CB 1.749 40.262 38.460 0.087 0.000 1.310 137 Y HN 0.798 nan 8.280 nan 0.000 0.460 138 F N 2.176 122.294 119.950 0.279 0.000 2.563 138 F HA 0.721 5.274 4.527 0.044 0.000 0.316 138 F C -1.177 174.849 175.800 0.376 0.000 1.076 138 F CA -0.578 57.597 58.000 0.292 0.000 0.921 138 F CB 2.346 41.650 39.000 0.506 0.000 1.209 138 F HN 0.795 nan 8.300 nan 0.000 0.462 139 Q N 6.633 125.903 119.800 -0.884 0.000 2.309 139 Q HA 0.495 4.859 4.340 0.041 0.000 0.273 139 Q C -2.880 172.559 176.000 -0.934 0.000 1.040 139 Q CA -2.377 53.091 55.803 -0.558 0.000 0.834 139 Q CB 3.017 31.705 28.738 -0.083 0.000 1.345 139 Q HN 0.334 nan 8.270 nan 0.000 0.414 140 P HA 0.056 nan 4.420 nan 0.000 0.274 140 P C -0.577 176.665 177.300 -0.097 0.000 1.246 140 P CA 0.163 63.079 63.100 -0.307 0.000 0.795 140 P CB 0.473 32.139 31.700 -0.056 0.000 1.006 141 Y N 0.063 120.317 120.300 -0.077 0.000 2.490 141 Y HA 0.021 4.597 4.550 0.043 0.000 0.285 141 Y C 1.357 177.238 175.900 -0.033 0.000 1.117 141 Y CA 0.123 58.195 58.100 -0.046 0.000 1.262 141 Y CB 0.415 38.854 38.460 -0.035 0.000 1.043 141 Y HN 0.342 nan 8.280 nan 0.000 0.553 142 K N -0.980 119.495 120.400 0.125 0.000 2.579 142 K HA 0.312 4.656 4.320 0.041 0.000 0.284 142 K C -1.043 175.570 176.600 0.022 0.000 0.990 142 K CA -0.916 55.408 56.287 0.061 0.000 0.880 142 K CB 1.423 33.956 32.500 0.056 0.000 1.488 142 K HN -0.238 nan 8.250 nan 0.000 0.425 143 S N 0.937 116.644 115.700 0.013 0.000 2.533 143 S HA 0.155 4.649 4.470 0.041 0.000 0.282 143 S C 0.500 175.093 174.600 -0.012 0.000 1.304 143 S CA -0.660 57.538 58.200 -0.004 0.000 1.063 143 S CB -0.224 62.976 63.200 -0.000 0.000 0.881 143 S HN 0.540 nan 8.310 nan 0.000 0.493 144 L N 4.805 126.009 121.223 -0.031 0.000 2.728 144 L HA 0.151 4.516 4.340 0.041 0.000 0.235 144 L C 1.807 178.660 176.870 -0.027 0.000 1.197 144 L CA -0.208 54.618 54.840 -0.022 0.000 0.992 144 L CB -0.265 41.785 42.059 -0.016 0.000 1.263 144 L HN 0.619 nan 8.230 nan 0.000 0.484 145 S N -0.069 115.613 115.700 -0.029 0.000 2.440 145 S HA -0.171 4.323 4.470 0.041 0.000 0.238 145 S C 1.289 175.872 174.600 -0.029 0.000 1.010 145 S CA 1.192 59.373 58.200 -0.031 0.000 0.972 145 S CB -0.139 63.047 63.200 -0.022 0.000 0.774 145 S HN 0.487 nan 8.310 nan 0.000 0.501 146 D N 1.580 121.969 120.400 -0.019 0.000 2.218 146 D HA -0.051 4.614 4.640 0.041 0.000 0.204 146 D C 1.712 177.995 176.300 -0.029 0.000 0.976 146 D CA 0.964 54.952 54.000 -0.019 0.000 0.853 146 D CB -0.150 40.644 40.800 -0.010 0.000 0.939 146 D HN 0.677 nan 8.370 nan 0.000 0.481 147 I N -4.653 115.900 120.570 -0.028 0.000 4.312 147 I HA 0.232 4.427 4.170 0.041 0.000 0.324 147 I C 0.441 176.514 176.117 -0.073 0.000 1.298 147 I CA -0.051 61.223 61.300 -0.044 0.000 1.231 147 I CB 1.140 39.132 38.000 -0.013 0.000 1.152 147 I HN -0.247 nan 8.210 nan 0.000 0.421 148 T N 1.659 116.173 114.554 -0.068 0.000 2.993 148 T HA 0.300 4.675 4.350 0.041 0.000 0.312 148 T C 0.034 174.680 174.700 -0.090 0.000 1.115 148 T CA -0.715 61.325 62.100 -0.099 0.000 1.027 148 T CB 1.722 70.520 68.868 -0.117 0.000 1.116 148 T HN 0.416 nan 8.240 nan 0.000 0.464 149 K N 2.666 123.011 120.400 -0.090 0.000 2.505 149 K HA 0.499 4.844 4.320 0.041 0.000 0.192 149 K C 0.727 177.289 176.600 -0.063 0.000 1.025 149 K CA -0.257 55.990 56.287 -0.068 0.000 1.086 149 K CB 0.100 32.565 32.500 -0.058 0.000 0.840 149 K HN 0.494 nan 8.250 nan 0.000 0.514 150 A N 2.161 124.922 122.820 -0.100 0.000 2.522 150 A HA -0.051 4.294 4.320 0.041 0.000 0.256 150 A C 0.566 178.118 177.584 -0.053 0.000 1.086 150 A CA 0.090 52.081 52.037 -0.076 0.000 0.763 150 A CB 0.114 19.014 19.000 -0.166 0.000 1.024 150 A HN 0.499 nan 8.150 nan 0.000 0.502 151 D N 2.239 122.681 120.400 0.070 0.000 2.144 151 D HA -0.227 4.438 4.640 0.041 0.000 0.199 151 D C 1.375 177.750 176.300 0.126 0.000 0.984 151 D CA 2.145 56.198 54.000 0.089 0.000 0.834 151 D CB -0.244 40.629 40.800 0.123 0.000 0.955 151 D HN 0.730 nan 8.370 nan 0.000 0.465 152 F N -0.327 119.652 119.950 0.047 0.000 2.408 152 F HA 0.094 4.647 4.527 0.043 0.000 0.300 152 F C 1.074 176.967 175.800 0.155 0.000 1.090 152 F CA 0.524 58.594 58.000 0.115 0.000 1.427 152 F CB -0.286 38.790 39.000 0.126 0.000 1.070 152 F HN -0.053 nan 8.300 nan 0.000 0.549 153 L N 1.001 121.893 121.223 -0.550 0.000 2.818 153 L HA 0.197 4.562 4.340 0.041 0.000 0.243 153 L C 1.785 178.563 176.870 -0.152 0.000 1.185 153 L CA 0.302 54.900 54.840 -0.404 0.000 0.988 153 L CB -0.232 41.481 42.059 -0.577 0.000 1.292 153 L HN 0.335 nan 8.230 nan 0.000 0.519 154 S N -2.812 112.846 115.700 -0.071 0.000 2.503 154 S HA 0.074 4.569 4.470 0.041 0.000 0.217 154 S C 0.478 175.076 174.600 -0.003 0.000 0.999 154 S CA -0.229 57.953 58.200 -0.031 0.000 0.914 154 S CB 0.393 63.590 63.200 -0.006 0.000 0.782 154 S HN 0.375 nan 8.310 nan 0.000 0.520 155 D N 0.477 120.886 120.400 0.014 0.000 2.886 155 D HA 0.242 4.906 4.640 0.041 0.000 0.216 155 D C -2.635 173.685 176.300 0.033 0.000 1.256 155 D CA -1.521 52.494 54.000 0.025 0.000 0.844 155 D CB 2.327 43.147 40.800 0.033 0.000 1.669 155 D HN -0.179 nan 8.370 nan 0.000 0.513 156 P HA -0.104 nan 4.420 nan 0.000 0.222 156 P C 0.832 178.158 177.300 0.042 0.000 1.147 156 P CA 0.964 64.086 63.100 0.038 0.000 0.790 156 P CB -0.231 31.500 31.700 0.052 0.000 0.780 157 N N -0.682 118.044 118.700 0.044 0.000 2.521 157 N HA -0.069 4.696 4.740 0.041 0.000 0.188 157 N C 0.686 176.234 175.510 0.064 0.000 1.146 157 N CA -0.204 52.874 53.050 0.046 0.000 0.893 157 N CB -0.284 38.225 38.487 0.037 0.000 0.975 157 N HN -0.031 nan 8.380 nan 0.000 0.451 158 K N 1.578 122.029 120.400 0.084 0.000 2.292 158 K HA 0.261 4.606 4.320 0.041 0.000 0.290 158 K C -0.896 175.808 176.600 0.173 0.000 1.083 158 K CA -0.219 56.146 56.287 0.131 0.000 0.918 158 K CB 0.525 33.120 32.500 0.158 0.000 1.089 158 K HN 0.187 nan 8.250 nan 0.000 0.473 159 I N 3.557 124.225 120.570 0.162 0.000 2.315 159 I HA 0.136 4.331 4.170 0.041 0.000 0.291 159 I C -0.134 176.153 176.117 0.282 0.000 1.006 159 I CA -0.359 61.064 61.300 0.205 0.000 1.265 159 I CB 1.767 39.827 38.000 0.099 0.000 1.387 159 I HN 0.475 nan 8.210 nan 0.000 0.475 160 T N 7.548 122.359 114.554 0.428 0.000 2.772 160 T HA 0.339 4.713 4.350 0.041 0.000 0.288 160 T C -2.434 172.526 174.700 0.433 0.000 0.994 160 T CA -1.424 60.951 62.100 0.458 0.000 0.951 160 T CB 1.336 70.591 68.868 0.644 0.000 0.933 160 T HN 0.239 nan 8.240 nan 0.000 0.447 161 P HA 0.214 nan 4.420 nan 0.000 0.267 161 P C -0.612 176.925 177.300 0.396 0.000 1.200 161 P CA -0.387 62.904 63.100 0.318 0.000 0.772 161 P CB 0.492 32.298 31.700 0.178 0.000 0.855 162 V N -0.210 119.878 119.914 0.291 0.000 3.040 162 V HA 0.741 4.886 4.120 0.041 0.000 0.312 162 V C -1.396 174.858 176.094 0.266 0.000 1.115 162 V CA -0.931 61.444 62.300 0.126 0.000 0.998 162 V CB 2.256 33.926 31.823 -0.255 0.000 1.042 162 V HN 0.314 nan 8.190 nan 0.000 0.433 163 F N 2.266 122.199 119.950 -0.029 0.000 2.536 163 F HA 0.843 5.393 4.527 0.038 0.000 0.322 163 F C -0.834 174.856 175.800 -0.183 0.000 1.144 163 F CA -0.868 57.046 58.000 -0.143 0.000 0.924 163 F CB 1.916 40.864 39.000 -0.086 0.000 1.181 163 F HN 0.534 nan 8.300 nan 0.000 0.438 164 V N 6.581 126.033 119.914 -0.771 0.000 2.555 164 V HA 0.581 4.726 4.120 0.041 0.000 0.302 164 V C -0.638 174.760 176.094 -1.160 0.000 1.038 164 V CA -0.864 60.894 62.300 -0.904 0.000 0.887 164 V CB 1.980 33.198 31.823 -1.008 0.000 0.991 164 V HN 0.731 nan 8.190 nan 0.000 0.434 165 R N 3.458 123.261 120.500 -1.161 0.000 2.480 165 R HA 0.598 4.963 4.340 0.041 0.000 0.306 165 R C -1.681 173.978 176.300 -1.068 0.000 0.958 165 R CA -0.440 55.078 56.100 -0.970 0.000 0.861 165 R CB 1.150 31.064 30.300 -0.643 0.000 1.171 165 R HN 0.548 nan 8.270 nan 0.000 0.445 166 F N 2.098 121.621 119.950 -0.711 0.000 2.397 166 F HA 0.478 5.031 4.527 0.042 0.000 0.331 166 F C 0.429 175.870 175.800 -0.599 0.000 1.090 166 F CA -0.183 57.278 58.000 -0.899 0.000 1.065 166 F CB 2.138 40.077 39.000 -1.768 0.000 1.184 166 F HN 0.593 nan 8.300 nan 0.000 0.499 167 S N -0.694 114.934 115.700 -0.120 0.000 2.570 167 S HA 0.628 5.123 4.470 0.041 0.000 0.270 167 S C -0.461 174.274 174.600 0.226 0.000 1.149 167 S CA -0.856 57.413 58.200 0.114 0.000 0.837 167 S CB 1.381 64.694 63.200 0.187 0.000 1.124 167 S HN 0.720 nan 8.310 nan 0.000 0.465 168 T N -1.093 113.595 114.554 0.223 0.000 2.833 168 T HA 0.626 5.001 4.350 0.041 0.000 0.312 168 T C 0.830 175.498 174.700 -0.054 0.000 1.085 168 T CA 0.050 62.238 62.100 0.146 0.000 0.955 168 T CB 0.075 69.034 68.868 0.153 0.000 1.353 168 T HN 0.651 nan 8.240 nan 0.000 0.544 169 V N -0.309 119.536 119.914 -0.115 0.000 3.029 169 V HA 0.139 4.284 4.120 0.041 0.000 0.230 169 V C 2.712 178.734 176.094 -0.120 0.000 1.254 169 V CA 0.256 62.361 62.300 -0.325 0.000 1.276 169 V CB -0.180 31.515 31.823 -0.213 0.000 1.080 169 V HN 0.852 nan 8.190 nan 0.000 0.495 170 Q N 1.121 120.886 119.800 -0.058 0.000 2.062 170 Q HA 0.058 4.423 4.340 0.041 0.000 0.196 170 Q C 1.262 177.241 176.000 -0.035 0.000 0.967 170 Q CA 1.433 57.201 55.803 -0.058 0.000 0.832 170 Q CB -0.255 28.435 28.738 -0.079 0.000 0.899 170 Q HN 0.586 nan 8.270 nan 0.000 0.442 171 G N -0.117 108.676 108.800 -0.011 0.000 2.569 171 G HA2 0.388 4.373 3.960 0.041 0.000 0.249 171 G HA3 0.388 4.373 3.960 0.041 0.000 0.249 171 G C 0.161 175.070 174.900 0.016 0.000 1.216 171 G CA 0.061 45.159 45.100 -0.003 0.000 0.845 171 G HN 0.336 nan 8.290 nan 0.000 0.568 172 G N -0.923 107.881 108.800 0.008 0.000 2.683 172 G HA2 0.455 4.440 3.960 0.041 0.000 0.260 172 G HA3 0.455 4.440 3.960 0.041 0.000 0.260 172 G C 1.356 176.287 174.900 0.052 0.000 1.238 172 G CA 0.429 45.543 45.100 0.025 0.000 0.934 172 G HN 1.102 nan 8.290 nan 0.000 0.534 173 A N -0.762 122.099 122.820 0.069 0.000 2.070 173 A HA 0.156 4.501 4.320 0.041 0.000 0.220 173 A C 2.172 179.798 177.584 0.070 0.000 1.159 173 A CA 1.886 53.983 52.037 0.101 0.000 0.656 173 A CB -0.281 18.795 19.000 0.126 0.000 0.800 173 A HN 1.137 nan 8.150 nan 0.000 0.453 174 G N -0.121 108.701 108.800 0.037 0.000 3.434 174 G HA2 0.349 4.334 3.960 0.041 0.000 0.258 174 G HA3 0.349 4.334 3.960 0.041 0.000 0.258 174 G C 0.632 175.536 174.900 0.006 0.000 1.128 174 G CA 0.629 45.736 45.100 0.012 0.000 0.792 174 G HN 0.623 nan 8.290 nan 0.000 0.539 175 S N -0.235 115.477 115.700 0.020 0.000 2.661 175 S HA 0.760 5.254 4.470 0.041 0.000 0.265 175 S C 0.465 175.081 174.600 0.026 0.000 1.225 175 S CA -0.102 58.106 58.200 0.013 0.000 0.986 175 S CB 1.630 64.839 63.200 0.015 0.000 1.008 175 S HN 0.549 nan 8.310 nan 0.000 0.565 176 A N 0.049 122.880 122.820 0.017 0.000 2.286 176 A HA 0.468 4.813 4.320 0.041 0.000 0.286 176 A C 0.528 178.138 177.584 0.042 0.000 1.097 176 A CA -0.590 51.455 52.037 0.013 0.000 0.821 176 A CB -0.001 18.987 19.000 -0.019 0.000 1.076 176 A HN 0.860 nan 8.150 nan 0.000 0.490 177 D N 0.235 120.650 120.400 0.025 0.000 2.149 177 D HA -0.044 4.620 4.640 0.041 0.000 0.206 177 D C 1.578 177.881 176.300 0.005 0.000 0.967 177 D CA 2.206 56.245 54.000 0.064 0.000 0.848 177 D CB -0.217 40.586 40.800 0.006 0.000 0.998 177 D HN 0.664 nan 8.370 nan 0.000 0.474 178 T N 0.063 114.529 114.554 -0.146 0.000 3.406 178 T HA 0.278 4.653 4.350 0.041 0.000 0.244 178 T C 0.866 175.551 174.700 -0.026 0.000 0.949 178 T CA -0.550 61.455 62.100 -0.158 0.000 0.926 178 T CB -0.992 67.701 68.868 -0.291 0.000 1.089 178 T HN -0.083 nan 8.240 nan 0.000 0.604 179 V N -1.242 118.710 119.914 0.062 0.000 3.319 179 V HA 0.424 4.569 4.120 0.041 0.000 0.303 179 V C 0.713 176.952 176.094 0.242 0.000 1.094 179 V CA -1.417 60.966 62.300 0.139 0.000 1.106 179 V CB 0.428 32.324 31.823 0.121 0.000 1.099 179 V HN 0.574 nan 8.190 nan 0.000 0.476 180 R N 1.582 122.292 120.500 0.350 0.000 2.216 180 R HA 0.473 4.838 4.340 0.041 0.000 0.332 180 R C -1.065 175.320 176.300 0.142 0.000 1.056 180 R CA -0.122 56.130 56.100 0.255 0.000 0.901 180 R CB 0.279 30.671 30.300 0.154 0.000 1.039 180 R HN 1.052 nan 8.270 nan 0.000 0.456 181 D N 3.340 123.833 120.400 0.155 0.000 2.671 181 D HA 0.209 4.874 4.640 0.041 0.000 0.273 181 D C -0.562 175.850 176.300 0.187 0.000 1.264 181 D CA -0.622 53.458 54.000 0.133 0.000 0.788 181 D CB 1.299 42.168 40.800 0.116 0.000 1.324 181 D HN 0.249 nan 8.370 nan 0.000 0.424 182 I N 1.410 122.107 120.570 0.212 0.000 2.779 182 I HA 0.220 4.415 4.170 0.041 0.000 0.285 182 I C 0.853 177.105 176.117 0.224 0.000 1.134 182 I CA -0.042 61.397 61.300 0.232 0.000 1.398 182 I CB -0.013 38.163 38.000 0.292 0.000 1.404 182 I HN 0.228 nan 8.210 nan 0.000 0.587 183 R N 2.980 123.636 120.500 0.260 0.000 2.589 183 R HA 0.579 4.943 4.340 0.041 0.000 0.293 183 R C -0.026 176.462 176.300 0.313 0.000 0.963 183 R CA -0.753 55.517 56.100 0.284 0.000 0.905 183 R CB 1.492 31.986 30.300 0.323 0.000 1.144 183 R HN 0.809 nan 8.270 nan 0.000 0.459 184 G N 0.897 109.901 108.800 0.340 0.000 2.425 184 G HA2 0.489 4.474 3.960 0.041 0.000 0.302 184 G HA3 0.489 4.474 3.960 0.041 0.000 0.302 184 G C -1.309 173.676 174.900 0.141 0.000 1.159 184 G CA -0.082 45.197 45.100 0.299 0.000 0.865 184 G HN 0.354 nan 8.290 nan 0.000 0.515 185 F N 1.813 121.667 119.950 -0.160 0.000 2.902 185 F HA 0.645 5.195 4.527 0.038 0.000 0.368 185 F C -0.248 175.248 175.800 -0.506 0.000 1.202 185 F CA -1.843 55.943 58.000 -0.357 0.000 1.109 185 F CB 1.099 40.013 39.000 -0.144 0.000 1.418 185 F HN 0.662 nan 8.300 nan 0.000 0.527 186 A N 3.542 126.081 122.820 -0.469 0.000 2.303 186 A HA 0.790 5.135 4.320 0.041 0.000 0.320 186 A C -0.659 176.461 177.584 -0.774 0.000 1.192 186 A CA -0.446 51.154 52.037 -0.729 0.000 0.821 186 A CB 0.853 19.079 19.000 -1.290 0.000 1.188 186 A HN 0.556 nan 8.150 nan 0.000 0.492 187 T N 2.276 116.543 114.554 -0.478 0.000 2.840 187 T HA 0.389 4.764 4.350 0.041 0.000 0.287 187 T C -0.374 174.121 174.700 -0.342 0.000 0.991 187 T CA -0.495 61.322 62.100 -0.473 0.000 0.964 187 T CB 1.108 69.610 68.868 -0.611 0.000 0.954 187 T HN 0.639 nan 8.240 nan 0.000 0.438 188 K N 3.693 123.983 120.400 -0.183 0.000 2.281 188 K HA 0.425 4.769 4.320 0.041 0.000 0.272 188 K C -1.223 175.047 176.600 -0.550 0.000 1.048 188 K CA -0.574 55.514 56.287 -0.331 0.000 0.898 188 K CB 0.269 32.514 32.500 -0.425 0.000 1.128 188 K HN 0.397 nan 8.250 nan 0.000 0.460 189 F N 4.144 123.804 119.950 -0.484 0.000 2.411 189 F HA 0.212 4.762 4.527 0.038 0.000 0.355 189 F C -0.304 175.304 175.800 -0.320 0.000 1.117 189 F CA -0.490 57.294 58.000 -0.359 0.000 1.139 189 F CB 0.650 39.331 39.000 -0.531 0.000 1.120 189 F HN 0.452 nan 8.300 nan 0.000 0.493 190 Y N 1.946 122.306 120.300 0.100 0.000 2.714 190 Y HA 0.206 4.782 4.550 0.044 0.000 0.333 190 Y C 1.020 176.978 175.900 0.098 0.000 1.220 190 Y CA -0.890 57.251 58.100 0.068 0.000 1.513 190 Y CB -0.230 38.258 38.460 0.047 0.000 1.435 190 Y HN 0.540 nan 8.280 nan 0.000 0.489 191 T N -2.600 112.056 114.554 0.170 0.000 2.816 191 T HA 0.152 4.527 4.350 0.041 0.000 0.282 191 T C 0.987 175.786 174.700 0.166 0.000 0.993 191 T CA -0.697 61.508 62.100 0.175 0.000 0.994 191 T CB 1.066 70.009 68.868 0.125 0.000 1.025 191 T HN 0.640 nan 8.240 nan 0.000 0.529 192 E N -0.009 120.294 120.200 0.170 0.000 2.478 192 E HA -0.037 4.338 4.350 0.041 0.000 0.198 192 E C 0.951 177.622 176.600 0.118 0.000 1.046 192 E CA 0.652 57.133 56.400 0.135 0.000 0.870 192 E CB 0.116 29.892 29.700 0.127 0.000 0.818 192 E HN 0.717 nan 8.360 nan 0.000 0.527 193 E N 0.076 120.349 120.200 0.122 0.000 2.734 193 E HA 0.261 4.635 4.350 0.041 0.000 0.211 193 E C 0.006 176.659 176.600 0.088 0.000 0.991 193 E CA -0.261 56.202 56.400 0.105 0.000 1.065 193 E CB 1.362 31.127 29.700 0.109 0.000 1.047 193 E HN 0.176 nan 8.360 nan 0.000 0.470 194 G N 1.226 110.073 108.800 0.079 0.000 2.428 194 G HA2 -0.106 3.878 3.960 0.041 0.000 0.681 194 G HA3 -0.106 3.878 3.960 0.041 0.000 0.681 194 G C -0.814 174.102 174.900 0.026 0.000 1.340 194 G CA -1.121 44.003 45.100 0.039 0.000 0.915 194 G HN 0.033 nan 8.290 nan 0.000 0.645 195 I N 0.982 121.533 120.570 -0.032 0.000 2.598 195 I HA 0.268 4.463 4.170 0.041 0.000 0.284 195 I C 0.184 176.321 176.117 0.033 0.000 1.140 195 I CA 0.212 61.465 61.300 -0.077 0.000 1.420 195 I CB 0.474 38.358 38.000 -0.193 0.000 1.387 195 I HN 0.447 nan 8.210 nan 0.000 0.553 196 F N 7.154 127.007 119.950 -0.161 0.000 2.426 196 F HA 0.427 4.978 4.527 0.039 0.000 0.348 196 F C -0.424 175.349 175.800 -0.045 0.000 1.124 196 F CA -1.288 56.620 58.000 -0.152 0.000 1.008 196 F CB 0.710 39.477 39.000 -0.388 0.000 1.139 196 F HN 0.346 nan 8.300 nan 0.000 0.452 197 D N 6.681 126.930 120.400 -0.252 0.000 2.280 197 D HA 0.238 4.903 4.640 0.041 0.000 0.236 197 D C -0.906 174.954 176.300 -0.733 0.000 1.082 197 D CA -0.095 53.683 54.000 -0.370 0.000 0.834 197 D CB 2.004 42.769 40.800 -0.059 0.000 1.100 197 D HN 0.470 nan 8.370 nan 0.000 0.486 198 L N 3.974 124.697 121.223 -0.834 0.000 2.272 198 L HA 0.271 4.636 4.340 0.041 0.000 0.284 198 L C -1.033 175.609 176.870 -0.380 0.000 1.045 198 L CA -0.614 53.809 54.840 -0.695 0.000 0.842 198 L CB 1.117 42.763 42.059 -0.689 0.000 1.224 198 L HN 0.084 nan 8.230 nan 0.000 0.430 199 V N 6.064 125.795 119.914 -0.304 0.000 2.259 199 V HA 0.677 4.822 4.120 0.041 0.000 0.267 199 V C 0.815 176.804 176.094 -0.175 0.000 1.051 199 V CA -0.104 62.027 62.300 -0.281 0.000 0.830 199 V CB 0.351 31.967 31.823 -0.346 0.000 1.080 199 V HN 0.851 nan 8.190 nan 0.000 0.467 200 G N 3.222 111.932 108.800 -0.150 0.000 2.667 200 G HA2 0.669 4.653 3.960 0.041 0.000 0.310 200 G HA3 0.669 4.653 3.960 0.041 0.000 0.310 200 G C -0.825 174.097 174.900 0.037 0.000 1.259 200 G CA -0.564 44.502 45.100 -0.056 0.000 1.019 200 G HN 0.487 nan 8.290 nan 0.000 0.496 201 N N -1.161 117.606 118.700 0.112 0.000 2.761 201 N HA 0.246 5.010 4.740 0.041 0.000 0.283 201 N C 0.272 175.958 175.510 0.293 0.000 1.377 201 N CA -0.756 52.422 53.050 0.214 0.000 0.791 201 N CB 1.357 39.959 38.487 0.192 0.000 1.540 201 N HN 0.520 nan 8.380 nan 0.000 0.539 202 N N -1.264 117.627 118.700 0.318 0.000 2.276 202 N HA 0.012 4.777 4.740 0.041 0.000 0.212 202 N C -0.559 175.207 175.510 0.426 0.000 1.127 202 N CA -0.110 53.182 53.050 0.402 0.000 0.834 202 N CB -0.194 38.513 38.487 0.366 0.000 1.014 202 N HN 0.549 nan 8.380 nan 0.000 0.491 203 T N -3.991 110.649 114.554 0.143 0.000 2.896 203 T HA 0.471 4.846 4.350 0.041 0.000 0.297 203 T C -2.716 171.357 174.700 -1.045 0.000 1.108 203 T CA -1.529 60.212 62.100 -0.598 0.000 1.004 203 T CB 2.787 71.178 68.868 -0.796 0.000 1.159 203 T HN -0.239 nan 8.240 nan 0.000 0.499 204 P HA 0.238 nan 4.420 nan 0.000 0.253 204 P C 0.261 177.040 177.300 -0.869 0.000 1.260 204 P CA 0.013 62.214 63.100 -1.500 0.000 0.800 204 P CB -0.141 30.623 31.700 -1.561 0.000 1.162 205 I N -4.649 115.395 120.570 -0.876 0.000 3.279 205 I HA 0.546 4.740 4.170 0.041 0.000 0.315 205 I C -1.478 174.377 176.117 -0.438 0.000 1.187 205 I CA -1.921 59.014 61.300 -0.607 0.000 0.953 205 I CB 1.397 38.988 38.000 -0.682 0.000 1.279 205 I HN -0.241 nan 8.210 nan 0.000 0.465 206 F N 0.324 119.991 119.950 -0.471 0.000 2.613 206 F HA 0.526 5.083 4.527 0.051 0.000 0.342 206 F C 0.440 175.987 175.800 -0.421 0.000 1.066 206 F CA -0.713 57.043 58.000 -0.407 0.000 1.002 206 F CB 1.854 40.745 39.000 -0.180 0.000 1.319 206 F HN 0.388 nan 8.300 nan 0.000 0.495 207 F N 2.077 121.156 119.950 -1.451 0.000 2.234 207 F HA 0.009 4.558 4.527 0.038 0.000 0.299 207 F C 0.718 176.200 175.800 -0.531 0.000 1.087 207 F CA 0.914 58.285 58.000 -1.048 0.000 1.340 207 F CB -0.176 37.776 39.000 -1.747 0.000 1.031 207 F HN 0.140 nan 8.300 nan 0.000 0.500 208 I N -3.218 117.312 120.570 -0.066 0.000 2.892 208 I HA 0.361 4.556 4.170 0.041 0.000 0.306 208 I C 0.391 176.666 176.117 0.264 0.000 1.078 208 I CA -0.831 60.568 61.300 0.165 0.000 1.032 208 I CB 1.922 40.085 38.000 0.272 0.000 1.229 208 I HN -0.140 nan 8.210 nan 0.000 0.435 209 Q N 0.559 120.506 119.800 0.245 0.000 2.259 209 Q HA 0.111 4.476 4.340 0.041 0.000 0.201 209 Q C -0.237 175.937 176.000 0.291 0.000 0.938 209 Q CA 0.747 56.733 55.803 0.305 0.000 0.872 209 Q CB 0.387 29.369 28.738 0.406 0.000 0.971 209 Q HN 0.662 nan 8.270 nan 0.000 0.494 210 D N -1.135 119.408 120.400 0.239 0.000 2.505 210 D HA 0.299 4.964 4.640 0.041 0.000 0.249 210 D C 0.061 176.486 176.300 0.208 0.000 1.082 210 D CA -0.203 53.907 54.000 0.183 0.000 0.839 210 D CB 1.811 42.691 40.800 0.135 0.000 1.317 210 D HN 0.053 nan 8.370 nan 0.000 0.497 211 A N 3.447 126.358 122.820 0.152 0.000 2.032 211 A HA -0.259 4.086 4.320 0.041 0.000 0.221 211 A C 1.802 179.503 177.584 0.194 0.000 1.165 211 A CA 1.804 53.923 52.037 0.136 0.000 0.645 211 A CB -0.790 18.235 19.000 0.042 0.000 0.807 211 A HN 0.815 nan 8.150 nan 0.000 0.453 212 H N 0.038 119.167 119.070 0.098 0.000 2.457 212 H HA -0.012 4.570 4.556 0.045 0.000 0.297 212 H C 1.560 176.968 175.328 0.133 0.000 1.092 212 H CA 1.914 58.013 56.048 0.085 0.000 1.309 212 H CB 0.028 29.817 29.762 0.046 0.000 1.382 212 H HN 0.439 nan 8.280 nan 0.000 0.535 213 K N -0.645 119.874 120.400 0.198 0.000 2.444 213 K HA -0.033 4.312 4.320 0.041 0.000 0.193 213 K C 1.395 178.133 176.600 0.230 0.000 1.024 213 K CA 0.007 56.409 56.287 0.192 0.000 1.077 213 K CB 0.060 32.729 32.500 0.282 0.000 0.833 213 K HN 0.284 nan 8.250 nan 0.000 0.517 214 F N 2.917 122.919 119.950 0.086 0.000 2.126 214 F HA -0.143 4.392 4.527 0.014 0.000 0.299 214 F C -1.027 174.786 175.800 0.022 0.000 1.096 214 F CA 1.296 59.374 58.000 0.129 0.000 1.255 214 F CB -0.372 38.690 39.000 0.103 0.000 0.997 214 F HN 0.019 nan 8.300 nan 0.000 0.479 215 P HA -0.120 nan 4.420 nan 0.000 0.220 215 P C 0.952 177.921 177.300 -0.553 0.000 1.148 215 P CA 1.561 64.416 63.100 -0.407 0.000 0.803 215 P CB -0.034 31.454 31.700 -0.353 0.000 0.782 216 D N -1.314 118.916 120.400 -0.282 0.000 2.097 216 D HA -0.137 4.528 4.640 0.041 0.000 0.197 216 D C 1.769 177.778 176.300 -0.484 0.000 0.984 216 D CA 1.046 54.918 54.000 -0.214 0.000 0.826 216 D CB -0.809 40.043 40.800 0.088 0.000 0.973 216 D HN 0.161 nan 8.370 nan 0.000 0.460 217 F N 1.693 121.244 119.950 -0.665 0.000 2.113 217 F HA -0.195 4.351 4.527 0.031 0.000 0.297 217 F C 2.245 177.664 175.800 -0.634 0.000 1.103 217 F CA 1.026 58.431 58.000 -0.992 0.000 1.248 217 F CB -0.164 38.495 39.000 -0.568 0.000 0.999 217 F HN -0.258 nan 8.300 nan 0.000 0.475 218 V N 0.380 119.893 119.914 -0.669 0.000 2.343 218 V HA -0.343 3.802 4.120 0.041 0.000 0.247 218 V C 2.280 178.160 176.094 -0.356 0.000 1.051 218 V CA 2.466 64.407 62.300 -0.598 0.000 1.036 218 V CB -1.022 30.462 31.823 -0.565 0.000 0.654 218 V HN 0.475 nan 8.190 nan 0.000 0.451 219 H N -0.384 118.462 119.070 -0.373 0.000 2.387 219 H HA -0.135 4.447 4.556 0.042 0.000 0.299 219 H C 2.319 177.499 175.328 -0.247 0.000 1.090 219 H CA 1.052 56.959 56.048 -0.236 0.000 1.332 219 H CB 0.035 29.706 29.762 -0.153 0.000 1.386 219 H HN 0.489 nan 8.280 nan 0.000 0.516 220 A N 0.376 123.029 122.820 -0.279 0.000 1.930 220 A HA -0.111 4.234 4.320 0.041 0.000 0.217 220 A C 2.486 179.909 177.584 -0.269 0.000 1.175 220 A CA 1.394 53.253 52.037 -0.296 0.000 0.627 220 A CB -0.642 18.065 19.000 -0.488 0.000 0.815 220 A HN 0.308 nan 8.150 nan 0.000 0.443 221 V N -0.285 119.344 119.914 -0.475 0.000 2.725 221 V HA 0.013 4.158 4.120 0.041 0.000 0.247 221 V C 0.934 176.996 176.094 -0.053 0.000 1.058 221 V CA 0.709 62.804 62.300 -0.341 0.000 1.080 221 V CB -0.439 30.982 31.823 -0.670 0.000 0.713 221 V HN 0.347 nan 8.190 nan 0.000 0.465 222 K N 1.072 121.406 120.400 -0.110 0.000 2.187 222 K HA 0.199 4.544 4.320 0.041 0.000 0.247 222 K C -2.276 174.284 176.600 -0.068 0.000 1.019 222 K CA -1.436 54.804 56.287 -0.079 0.000 0.893 222 K CB -0.373 32.072 32.500 -0.093 0.000 1.025 222 K HN 0.180 nan 8.250 nan 0.000 0.500 223 P HA 0.009 nan 4.420 nan 0.000 0.266 223 P C -0.524 176.721 177.300 -0.091 0.000 1.195 223 P CA 0.327 63.297 63.100 -0.217 0.000 0.768 223 P CB 0.397 31.976 31.700 -0.202 0.000 0.838 224 E N 4.604 124.794 120.200 -0.017 0.000 2.404 224 E HA 0.014 4.389 4.350 0.041 0.000 0.261 224 E C -1.315 175.356 176.600 0.118 0.000 1.074 224 E CA -1.327 55.165 56.400 0.154 0.000 0.917 224 E CB 0.142 30.063 29.700 0.369 0.000 0.965 224 E HN 0.414 nan 8.360 nan 0.000 0.433 225 P HA -0.161 nan 4.420 nan 0.000 0.227 225 P C 0.921 178.287 177.300 0.110 0.000 1.161 225 P CA 1.208 64.349 63.100 0.069 0.000 0.788 225 P CB 0.078 31.795 31.700 0.029 0.000 0.822 226 H N -0.682 118.434 119.070 0.078 0.000 2.326 226 H HA -0.075 4.505 4.556 0.040 0.000 0.301 226 H C 1.458 176.893 175.328 0.178 0.000 1.081 226 H CA 1.444 57.527 56.048 0.059 0.000 1.334 226 H CB -1.337 28.394 29.762 -0.052 0.000 1.385 226 H HN 0.299 nan 8.280 nan 0.000 0.504 227 W N 0.107 121.021 121.300 -0.643 0.000 2.871 227 W HA 0.686 5.369 4.660 0.039 0.000 0.340 227 W C 0.509 176.860 176.519 -0.280 0.000 1.058 227 W CA -0.857 56.245 57.345 -0.405 0.000 1.633 227 W CB -0.674 28.518 29.460 -0.447 0.000 1.067 227 W HN 0.434 nan 8.180 nan 0.000 0.554 228 A N 1.288 124.071 122.820 -0.061 0.000 2.739 228 A HA -0.169 4.176 4.320 0.041 0.000 0.296 228 A C -0.391 176.958 177.584 -0.391 0.000 1.488 228 A CA 1.413 53.343 52.037 -0.178 0.000 0.746 228 A CB -2.421 16.503 19.000 -0.128 0.000 1.047 228 A HN 0.451 nan 8.150 nan 0.000 0.477 229 I N 0.525 120.713 120.570 -0.637 0.000 2.608 229 I HA 0.589 4.783 4.170 0.041 0.000 0.295 229 I C -2.446 173.373 176.117 -0.497 0.000 1.049 229 I CA -2.365 58.460 61.300 -0.791 0.000 1.063 229 I CB 2.949 39.980 38.000 -1.616 0.000 1.248 229 I HN 0.215 nan 8.210 nan 0.000 0.424 230 P HA 0.347 nan 4.420 nan 0.000 0.294 230 P C -1.682 175.457 177.300 -0.269 0.000 1.325 230 P CA -0.943 61.941 63.100 -0.361 0.000 0.978 230 P CB 1.871 33.432 31.700 -0.231 0.000 1.288 231 Q N 0.513 120.199 119.800 -0.189 0.000 2.261 231 Q HA 0.496 4.860 4.340 0.041 0.000 0.252 231 Q C 1.135 177.095 176.000 -0.065 0.000 0.915 231 Q CA 1.116 56.844 55.803 -0.125 0.000 0.915 231 Q CB -0.261 28.415 28.738 -0.104 0.000 1.204 231 Q HN 0.819 nan 8.270 nan 0.000 0.421 232 G N 3.037 111.809 108.800 -0.046 0.000 2.179 232 G HA2 -0.295 3.690 3.960 0.041 0.000 0.257 232 G HA3 -0.295 3.690 3.960 0.041 0.000 0.257 232 G C -0.394 174.521 174.900 0.025 0.000 1.010 232 G CA 0.594 45.693 45.100 -0.001 0.000 0.736 232 G HN 0.538 nan 8.290 nan 0.000 0.513 233 Q N -0.962 118.840 119.800 0.003 0.000 2.315 233 Q HA 0.554 4.919 4.340 0.041 0.000 0.273 233 Q C 0.781 176.797 176.000 0.026 0.000 1.053 233 Q CA -0.114 55.721 55.803 0.054 0.000 0.817 233 Q CB 1.821 30.634 28.738 0.125 0.000 1.326 233 Q HN 0.436 nan 8.270 nan 0.000 0.423 234 S N -0.400 115.214 115.700 -0.143 0.000 2.593 234 S HA 0.166 4.661 4.470 0.041 0.000 0.217 234 S C 0.942 175.474 174.600 -0.113 0.000 0.966 234 S CA 0.037 57.927 58.200 -0.517 0.000 0.914 234 S CB 0.270 62.639 63.200 -1.386 0.000 0.776 234 S HN 0.598 nan 8.310 nan 0.000 0.523 235 A N 2.257 125.221 122.820 0.240 0.000 3.077 235 A HA 0.502 4.847 4.320 0.041 0.000 0.255 235 A C 0.136 177.977 177.584 0.430 0.000 1.728 235 A CA -0.586 51.684 52.037 0.387 0.000 1.383 235 A CB -1.267 17.920 19.000 0.311 0.000 1.097 235 A HN 0.902 nan 8.150 nan 0.000 0.634 236 H N -3.931 115.343 119.070 0.339 0.000 3.014 236 H HA 0.508 5.088 4.556 0.039 0.000 0.337 236 H C -0.221 175.312 175.328 0.342 0.000 1.320 236 H CA -0.761 55.453 56.048 0.277 0.000 1.128 236 H CB 0.305 30.186 29.762 0.199 0.000 1.862 236 H HN 0.054 nan 8.280 nan 0.000 0.536 237 D N 0.263 120.845 120.400 0.304 0.000 2.116 237 D HA -0.220 4.445 4.640 0.041 0.000 0.193 237 D C 2.136 178.508 176.300 0.120 0.000 0.998 237 D CA 3.189 57.301 54.000 0.187 0.000 0.836 237 D CB -0.356 40.528 40.800 0.139 0.000 0.951 237 D HN 0.789 nan 8.370 nan 0.000 0.449 238 T N -1.775 112.847 114.554 0.112 0.000 2.867 238 T HA -0.184 4.191 4.350 0.041 0.000 0.268 238 T C 1.901 176.551 174.700 -0.084 0.000 1.057 238 T CA 0.666 62.795 62.100 0.049 0.000 1.136 238 T CB -0.664 68.274 68.868 0.118 0.000 0.874 238 T HN 0.181 nan 8.240 nan 0.000 0.466 239 F N 0.659 120.320 119.950 -0.482 0.000 2.113 239 F HA 0.118 4.667 4.527 0.037 0.000 0.297 239 F C 1.822 177.363 175.800 -0.431 0.000 1.103 239 F CA 0.605 58.236 58.000 -0.614 0.000 1.248 239 F CB -0.536 37.896 39.000 -0.946 0.000 0.999 239 F HN 0.141 nan 8.300 nan 0.000 0.475 240 W N 0.680 121.926 121.300 -0.089 0.000 2.425 240 W HA -0.093 4.596 4.660 0.048 0.000 0.277 240 W C 2.277 178.723 176.519 -0.121 0.000 1.231 240 W CA 1.031 58.311 57.345 -0.108 0.000 1.248 240 W CB -0.597 28.879 29.460 0.027 0.000 1.117 240 W HN 0.091 nan 8.180 nan 0.000 0.568 241 D N -0.655 119.794 120.400 0.081 0.000 2.097 241 D HA -0.291 4.374 4.640 0.041 0.000 0.195 241 D C 1.887 178.198 176.300 0.018 0.000 0.989 241 D CA 1.471 55.500 54.000 0.049 0.000 0.827 241 D CB -0.527 40.309 40.800 0.060 0.000 0.966 241 D HN 0.195 nan 8.370 nan 0.000 0.456 242 Y N 0.277 120.474 120.300 -0.171 0.000 2.145 242 Y HA -0.177 4.400 4.550 0.045 0.000 0.286 242 Y C 2.271 178.042 175.900 -0.216 0.000 1.145 242 Y CA 1.436 59.422 58.100 -0.189 0.000 1.148 242 Y CB -0.358 37.946 38.460 -0.260 0.000 0.981 242 Y HN -0.111 nan 8.280 nan 0.000 0.507 243 V N 0.102 119.909 119.914 -0.179 0.000 2.287 243 V HA -0.356 3.789 4.120 0.041 0.000 0.248 243 V C 2.583 178.629 176.094 -0.080 0.000 1.053 243 V CA 2.308 64.491 62.300 -0.195 0.000 1.027 243 V CB -1.211 30.393 31.823 -0.366 0.000 0.646 243 V HN 0.669 nan 8.190 nan 0.000 0.447 244 S N -0.376 115.323 115.700 -0.002 0.000 2.442 244 S HA -0.062 4.433 4.470 0.041 0.000 0.236 244 S C 1.657 176.230 174.600 -0.044 0.000 1.007 244 S CA 1.355 59.572 58.200 0.028 0.000 0.965 244 S CB -0.456 62.786 63.200 0.070 0.000 0.773 244 S HN 0.566 nan 8.310 nan 0.000 0.504 245 L N -0.107 121.040 121.223 -0.127 0.000 2.585 245 L HA 0.332 4.697 4.340 0.041 0.000 0.226 245 L C 0.561 177.265 176.870 -0.277 0.000 1.113 245 L CA 0.094 54.831 54.840 -0.172 0.000 0.876 245 L CB 0.064 42.021 42.059 -0.170 0.000 1.072 245 L HN 0.243 nan 8.230 nan 0.000 0.468 246 Q N 0.391 119.988 119.800 -0.339 0.000 3.300 246 Q HA 0.220 4.585 4.340 0.041 0.000 0.271 246 Q C -1.944 173.834 176.000 -0.370 0.000 0.926 246 Q CA -1.332 54.223 55.803 -0.414 0.000 0.788 246 Q CB 1.402 29.779 28.738 -0.601 0.000 1.385 246 Q HN 0.015 nan 8.270 nan 0.000 0.424 247 P HA -0.220 nan 4.420 nan 0.000 0.226 247 P C 0.909 177.872 177.300 -0.561 0.000 1.146 247 P CA 1.085 63.932 63.100 -0.422 0.000 0.773 247 P CB 0.257 31.713 31.700 -0.406 0.000 0.772 248 E N 0.729 120.454 120.200 -0.792 0.000 2.267 248 E HA -0.181 4.194 4.350 0.041 0.000 0.197 248 E C 1.546 178.076 176.600 -0.117 0.000 0.998 248 E CA 1.840 58.020 56.400 -0.367 0.000 0.830 248 E CB -1.364 28.223 29.700 -0.190 0.000 0.751 248 E HN 0.292 nan 8.360 nan 0.000 0.491 249 T N -0.566 113.928 114.554 -0.100 0.000 3.007 249 T HA -0.015 4.359 4.350 0.041 0.000 0.270 249 T C 1.904 176.659 174.700 0.090 0.000 1.107 249 T CA 0.526 62.639 62.100 0.021 0.000 1.118 249 T CB -0.298 68.610 68.868 0.067 0.000 0.889 249 T HN 0.160 nan 8.240 nan 0.000 0.506 250 L N -0.225 121.055 121.223 0.096 0.000 2.156 250 L HA 0.028 4.393 4.340 0.041 0.000 0.208 250 L C 2.822 179.855 176.870 0.272 0.000 1.095 250 L CA 1.370 56.342 54.840 0.220 0.000 0.770 250 L CB -0.707 41.497 42.059 0.242 0.000 0.914 250 L HN 0.461 nan 8.230 nan 0.000 0.439 251 H N 0.183 119.297 119.070 0.073 0.000 2.290 251 H HA -0.217 4.364 4.556 0.042 0.000 0.298 251 H C 2.133 177.458 175.328 -0.005 0.000 1.087 251 H CA 1.863 57.951 56.048 0.067 0.000 1.291 251 H CB 0.237 30.010 29.762 0.018 0.000 1.369 251 H HN 0.363 nan 8.280 nan 0.000 0.492 252 N N -0.122 118.396 118.700 -0.304 0.000 2.244 252 N HA -0.131 4.634 4.740 0.041 0.000 0.183 252 N C 1.984 177.308 175.510 -0.309 0.000 1.016 252 N CA 0.792 53.436 53.050 -0.677 0.000 0.866 252 N CB 0.250 37.832 38.487 -1.509 0.000 0.980 252 N HN 0.127 nan 8.380 nan 0.000 0.430 253 V N 1.798 121.748 119.914 0.060 0.000 2.287 253 V HA -0.267 3.878 4.120 0.041 0.000 0.248 253 V C 2.521 178.744 176.094 0.215 0.000 1.053 253 V CA 1.306 63.796 62.300 0.317 0.000 1.027 253 V CB -0.372 31.694 31.823 0.405 0.000 0.646 253 V HN 0.395 nan 8.190 nan 0.000 0.447 254 M N -1.620 118.144 119.600 0.274 0.000 2.082 254 M HA -0.234 4.271 4.480 0.041 0.000 0.258 254 M C 2.082 178.388 176.300 0.009 0.000 1.069 254 M CA 1.990 57.453 55.300 0.272 0.000 1.102 254 M CB -1.316 31.470 32.600 0.311 0.000 1.336 254 M HN 0.468 nan 8.290 nan 0.000 0.404 255 W N 0.563 121.603 121.300 -0.433 0.000 2.335 255 W HA -0.153 4.534 4.660 0.045 0.000 0.311 255 W C 2.849 179.303 176.519 -0.110 0.000 1.213 255 W CA 2.088 59.153 57.345 -0.466 0.000 1.274 255 W CB -1.110 28.005 29.460 -0.575 0.000 1.148 255 W HN 0.313 nan 8.180 nan 0.000 0.498 256 A N -0.806 122.096 122.820 0.137 0.000 1.930 256 A HA -0.177 4.167 4.320 0.041 0.000 0.217 256 A C 1.931 179.565 177.584 0.082 0.000 1.175 256 A CA 1.708 53.830 52.037 0.142 0.000 0.627 256 A CB -0.598 18.518 19.000 0.194 0.000 0.815 256 A HN 0.116 nan 8.150 nan 0.000 0.443 257 M N 0.705 120.311 119.600 0.010 0.000 2.492 257 M HA 0.012 4.516 4.480 0.041 0.000 0.262 257 M C 1.473 177.811 176.300 0.064 0.000 1.090 257 M CA 0.813 56.060 55.300 -0.088 0.000 1.110 257 M CB -1.400 30.900 32.600 -0.500 0.000 1.407 257 M HN 0.549 nan 8.290 nan 0.000 0.470 258 S N 0.195 115.992 115.700 0.161 0.000 2.641 258 S HA 0.091 4.586 4.470 0.041 0.000 0.261 258 S C 0.745 175.469 174.600 0.208 0.000 1.257 258 S CA -0.442 57.892 58.200 0.223 0.000 0.983 258 S CB 0.969 64.346 63.200 0.296 0.000 0.990 258 S HN 0.173 nan 8.310 nan 0.000 0.572 259 D N 0.206 120.746 120.400 0.234 0.000 2.350 259 D HA 0.020 4.685 4.640 0.041 0.000 0.216 259 D C 1.912 178.353 176.300 0.234 0.000 0.968 259 D CA 0.338 54.497 54.000 0.265 0.000 0.894 259 D CB -0.171 40.851 40.800 0.369 0.000 0.909 259 D HN 0.388 nan 8.370 nan 0.000 0.520 260 R N 0.207 120.837 120.500 0.217 0.000 2.139 260 R HA -0.097 4.268 4.340 0.041 0.000 0.243 260 R C 2.012 178.467 176.300 0.257 0.000 1.145 260 R CA 1.169 57.423 56.100 0.257 0.000 0.976 260 R CB -0.834 29.677 30.300 0.352 0.000 0.866 260 R HN 0.194 nan 8.270 nan 0.000 0.449 261 G N 1.045 109.984 108.800 0.232 0.000 2.920 261 G HA2 0.039 4.024 3.960 0.041 0.000 0.208 261 G HA3 0.039 4.024 3.960 0.041 0.000 0.208 261 G C 0.993 176.036 174.900 0.238 0.000 1.159 261 G CA -0.035 45.196 45.100 0.220 0.000 0.784 261 G HN 0.407 nan 8.290 nan 0.000 0.535 262 I N -1.950 118.770 120.570 0.250 0.000 2.956 262 I HA 0.348 4.543 4.170 0.041 0.000 0.311 262 I C -2.758 173.514 176.117 0.258 0.000 1.436 262 I CA -2.584 58.871 61.300 0.259 0.000 0.872 262 I CB 1.511 39.670 38.000 0.265 0.000 2.099 262 I HN -0.263 nan 8.210 nan 0.000 0.624 263 P HA -0.030 nan 4.420 nan 0.000 0.265 263 P C 0.639 178.096 177.300 0.261 0.000 1.187 263 P CA 0.028 63.240 63.100 0.187 0.000 0.766 263 P CB 1.087 32.829 31.700 0.070 0.000 0.820 264 R N 2.163 122.799 120.500 0.226 0.000 2.120 264 R HA -0.019 4.346 4.340 0.041 0.000 0.234 264 R C 0.358 176.821 176.300 0.272 0.000 1.123 264 R CA 1.494 57.772 56.100 0.298 0.000 0.975 264 R CB -0.325 30.115 30.300 0.233 0.000 0.866 264 R HN 0.563 nan 8.270 nan 0.000 0.446 265 S N -2.728 112.925 115.700 -0.078 0.000 2.580 265 S HA 0.171 4.666 4.470 0.041 0.000 0.281 265 S C -0.384 173.921 174.600 -0.492 0.000 1.129 265 S CA -0.876 57.120 58.200 -0.341 0.000 0.862 265 S CB -0.001 63.121 63.200 -0.129 0.000 1.090 265 S HN 0.113 nan 8.310 nan 0.000 0.451 266 Y N 2.726 122.642 120.300 -0.640 0.000 2.315 266 Y HA -0.009 4.567 4.550 0.043 0.000 0.288 266 Y C 2.364 177.908 175.900 -0.594 0.000 1.154 266 Y CA 1.337 58.927 58.100 -0.849 0.000 1.229 266 Y CB -0.316 37.237 38.460 -1.512 0.000 0.980 266 Y HN 0.589 nan 8.280 nan 0.000 0.540 267 R N -0.578 119.787 120.500 -0.225 0.000 2.235 267 R HA -0.035 4.330 4.340 0.041 0.000 0.213 267 R C 1.008 177.266 176.300 -0.071 0.000 1.059 267 R CA 1.475 57.498 56.100 -0.129 0.000 0.997 267 R CB -0.351 29.871 30.300 -0.130 0.000 0.884 267 R HN 0.339 nan 8.270 nan 0.000 0.462 268 T N -1.811 112.719 114.554 -0.040 0.000 3.374 268 T HA 0.368 4.742 4.350 0.041 0.000 0.267 268 T C 0.112 174.855 174.700 0.070 0.000 0.996 268 T CA -0.693 61.413 62.100 0.010 0.000 0.977 268 T CB -0.084 68.777 68.868 -0.012 0.000 1.149 268 T HN 0.069 nan 8.240 nan 0.000 0.517 269 M N -1.239 118.448 119.600 0.144 0.000 2.593 269 M HA 0.736 5.241 4.480 0.041 0.000 0.290 269 M C -1.219 175.268 176.300 0.312 0.000 1.244 269 M CA -0.895 54.532 55.300 0.211 0.000 0.857 269 M CB 2.156 34.877 32.600 0.203 0.000 1.738 269 M HN -0.142 nan 8.290 nan 0.000 0.461 270 E N 0.406 120.782 120.200 0.294 0.000 2.314 270 E HA 0.668 5.043 4.350 0.041 0.000 0.262 270 E C -0.314 176.358 176.600 0.120 0.000 1.093 270 E CA -0.592 55.916 56.400 0.179 0.000 0.908 270 E CB 1.751 31.493 29.700 0.070 0.000 1.091 270 E HN 0.854 nan 8.360 nan 0.000 0.425 271 G N 0.680 109.374 108.800 -0.176 0.000 2.519 271 G HA2 0.642 4.627 3.960 0.041 0.000 0.307 271 G HA3 0.642 4.627 3.960 0.041 0.000 0.307 271 G C -1.467 172.971 174.900 -0.770 0.000 1.266 271 G CA -0.476 44.480 45.100 -0.240 0.000 0.970 271 G HN 0.290 nan 8.290 nan 0.000 0.481 272 F N -0.615 119.263 119.950 -0.121 0.000 2.608 272 F HA 0.482 5.033 4.527 0.039 0.000 0.309 272 F C 1.081 176.781 175.800 -0.166 0.000 1.103 272 F CA -0.558 57.295 58.000 -0.245 0.000 0.954 272 F CB 2.506 41.315 39.000 -0.319 0.000 1.267 272 F HN 0.611 nan 8.300 nan 0.000 0.444 273 G N -0.259 108.593 108.800 0.087 0.000 2.776 273 G HA2 0.096 4.080 3.960 0.041 0.000 0.209 273 G HA3 0.096 4.080 3.960 0.041 0.000 0.209 273 G C 0.829 175.806 174.900 0.128 0.000 1.145 273 G CA 0.730 45.948 45.100 0.197 0.000 0.791 273 G HN 1.030 nan 8.290 nan 0.000 0.530 274 C N -1.545 117.722 119.300 -0.056 0.000 5.885 274 C HA -0.180 4.305 4.460 0.041 0.000 0.328 274 C C 0.870 175.598 174.990 -0.437 0.000 2.432 274 C CA 0.829 59.646 59.018 -0.336 0.000 2.196 274 C CB -1.902 25.521 27.740 -0.528 0.000 3.235 274 C HN 0.615 nan 8.230 nan 0.000 0.261 275 H N 0.388 119.500 119.070 0.071 0.000 2.567 275 H HA 0.472 5.052 4.556 0.039 0.000 0.345 275 H C -0.080 175.227 175.328 -0.036 0.000 1.169 275 H CA 0.112 56.111 56.048 -0.082 0.000 1.227 275 H CB 0.677 30.233 29.762 -0.344 0.000 1.607 275 H HN 0.345 nan 8.280 nan 0.000 0.534 276 T N 3.160 117.715 114.554 0.002 0.000 2.769 276 T HA 0.164 4.539 4.350 0.041 0.000 0.293 276 T C 0.220 174.890 174.700 -0.051 0.000 0.931 276 T CA 0.299 62.385 62.100 -0.024 0.000 1.139 276 T CB -0.483 68.312 68.868 -0.121 0.000 0.881 276 T HN 0.217 nan 8.240 nan 0.000 0.532 277 F N 1.555 121.478 119.950 -0.045 0.000 2.561 277 F HA 0.661 5.210 4.527 0.037 0.000 0.384 277 F C 1.129 176.897 175.800 -0.053 0.000 1.131 277 F CA -1.292 56.708 58.000 -0.001 0.000 1.133 277 F CB 1.237 40.242 39.000 0.008 0.000 1.506 277 F HN 0.180 nan 8.300 nan 0.000 0.499 278 R N 0.477 121.042 120.500 0.108 0.000 2.686 278 R HA 0.598 4.963 4.340 0.041 0.000 0.286 278 R C -1.596 174.588 176.300 -0.193 0.000 0.969 278 R CA -0.840 55.184 56.100 -0.128 0.000 0.898 278 R CB 2.037 32.195 30.300 -0.236 0.000 1.183 278 R HN 0.424 nan 8.270 nan 0.000 0.456 279 L N 3.502 124.560 121.223 -0.275 0.000 2.343 279 L HA 0.550 4.915 4.340 0.041 0.000 0.275 279 L C -0.346 176.361 176.870 -0.273 0.000 1.056 279 L CA -0.898 53.787 54.840 -0.259 0.000 0.804 279 L CB 1.145 43.052 42.059 -0.253 0.000 1.203 279 L HN 0.367 nan 8.230 nan 0.000 0.440 280 I N 2.065 122.499 120.570 -0.227 0.000 2.498 280 I HA 0.309 4.504 4.170 0.041 0.000 0.290 280 I C -0.459 175.566 176.117 -0.153 0.000 1.032 280 I CA -0.698 60.472 61.300 -0.216 0.000 1.073 280 I CB 1.593 39.470 38.000 -0.204 0.000 1.251 280 I HN 0.627 nan 8.210 nan 0.000 0.426 281 N N 4.365 122.989 118.700 -0.126 0.000 2.530 281 N HA 0.466 5.231 4.740 0.041 0.000 0.283 281 N C 0.761 176.228 175.510 -0.072 0.000 1.238 281 N CA -0.423 52.573 53.050 -0.090 0.000 0.971 281 N CB 0.628 39.070 38.487 -0.075 0.000 1.195 281 N HN 0.526 nan 8.380 nan 0.000 0.583 282 A N -0.296 122.491 122.820 -0.054 0.000 1.978 282 A HA -0.157 4.188 4.320 0.041 0.000 0.220 282 A C 1.519 179.081 177.584 -0.037 0.000 1.170 282 A CA 1.551 53.562 52.037 -0.043 0.000 0.636 282 A CB -0.881 18.100 19.000 -0.031 0.000 0.810 282 A HN 0.778 nan 8.150 nan 0.000 0.448 283 E N -1.395 118.784 120.200 -0.034 0.000 2.511 283 E HA 0.264 4.639 4.350 0.041 0.000 0.196 283 E C 1.268 177.856 176.600 -0.020 0.000 1.066 283 E CA 0.777 57.161 56.400 -0.025 0.000 0.871 283 E CB -0.221 29.466 29.700 -0.022 0.000 0.863 283 E HN 0.777 nan 8.360 nan 0.000 0.520 284 G N 1.217 110.001 108.800 -0.026 0.000 2.157 284 G HA2 -0.382 3.603 3.960 0.041 0.000 0.248 284 G HA3 -0.382 3.603 3.960 0.041 0.000 0.248 284 G C 0.293 175.207 174.900 0.023 0.000 0.979 284 G CA 0.318 45.420 45.100 0.004 0.000 0.650 284 G HN 0.299 nan 8.290 nan 0.000 0.529 285 K N 0.821 121.199 120.400 -0.036 0.000 2.368 285 K HA 0.613 4.958 4.320 0.041 0.000 0.282 285 K C 0.616 177.083 176.600 -0.221 0.000 1.035 285 K CA 0.313 56.554 56.287 -0.077 0.000 0.973 285 K CB 0.434 32.888 32.500 -0.077 0.000 0.957 285 K HN 0.659 nan 8.250 nan 0.000 0.474 286 A N 3.531 126.110 122.820 -0.402 0.000 2.305 286 A HA 0.446 4.791 4.320 0.041 0.000 0.322 286 A C -0.799 176.458 177.584 -0.544 0.000 1.187 286 A CA -0.575 51.048 52.037 -0.691 0.000 0.825 286 A CB 1.217 19.338 19.000 -1.464 0.000 1.164 286 A HN 0.735 nan 8.150 nan 0.000 0.498 287 T N 2.138 116.409 114.554 -0.472 0.000 2.841 287 T HA 0.558 4.933 4.350 0.041 0.000 0.283 287 T C -0.651 173.819 174.700 -0.385 0.000 1.000 287 T CA -0.101 61.774 62.100 -0.375 0.000 0.977 287 T CB 0.554 69.300 68.868 -0.204 0.000 0.979 287 T HN 0.338 nan 8.240 nan 0.000 0.446 288 F N 1.856 121.709 119.950 -0.160 0.000 2.418 288 F HA 0.562 5.113 4.527 0.040 0.000 0.341 288 F C 0.539 176.218 175.800 -0.201 0.000 1.120 288 F CA -0.490 57.412 58.000 -0.163 0.000 1.232 288 F CB 0.794 39.724 39.000 -0.117 0.000 1.175 288 F HN 0.196 nan 8.300 nan 0.000 0.569 289 V N 4.402 124.275 119.914 -0.069 0.000 2.888 289 V HA 0.605 4.750 4.120 0.041 0.000 0.309 289 V C -1.034 174.833 176.094 -0.378 0.000 1.114 289 V CA -0.746 61.356 62.300 -0.331 0.000 0.940 289 V CB 2.137 33.525 31.823 -0.725 0.000 1.021 289 V HN 0.760 nan 8.190 nan 0.000 0.426 290 R N 4.467 124.786 120.500 -0.302 0.000 2.599 290 R HA 0.564 4.929 4.340 0.041 0.000 0.295 290 R C -1.668 174.534 176.300 -0.164 0.000 0.963 290 R CA -0.463 55.501 56.100 -0.227 0.000 0.883 290 R CB 2.167 32.463 30.300 -0.006 0.000 1.171 290 R HN 0.592 nan 8.270 nan 0.000 0.450 291 F N 1.793 121.783 119.950 0.065 0.000 2.397 291 F HA 0.401 4.951 4.527 0.039 0.000 0.331 291 F C 0.922 176.663 175.800 -0.098 0.000 1.090 291 F CA -0.124 57.886 58.000 0.016 0.000 1.065 291 F CB 1.013 39.908 39.000 -0.174 0.000 1.184 291 F HN 0.198 nan 8.300 nan 0.000 0.499 292 H N 0.654 119.716 119.070 -0.014 0.000 2.851 292 H HA 0.241 4.823 4.556 0.043 0.000 0.372 292 H C -1.613 173.474 175.328 -0.401 0.000 1.158 292 H CA -1.020 54.907 56.048 -0.202 0.000 1.159 292 H CB 2.011 31.741 29.762 -0.054 0.000 1.757 292 H HN 0.664 nan 8.280 nan 0.000 0.546 293 W N 2.288 123.468 121.300 -0.200 0.000 2.532 293 W HA 0.321 5.003 4.660 0.037 0.000 0.321 293 W C -0.126 176.423 176.519 0.049 0.000 1.037 293 W CA -0.767 56.521 57.345 -0.096 0.000 1.220 293 W CB 1.813 31.044 29.460 -0.383 0.000 1.361 293 W HN 0.276 nan 8.180 nan 0.000 0.468 294 K N 5.866 126.541 120.400 0.457 0.000 2.293 294 K HA 0.376 4.721 4.320 0.041 0.000 0.267 294 K C -2.456 174.365 176.600 0.369 0.000 1.010 294 K CA -1.885 54.601 56.287 0.332 0.000 0.875 294 K CB 1.443 34.085 32.500 0.237 0.000 1.106 294 K HN 0.051 nan 8.250 nan 0.000 0.450 295 P HA 0.046 nan 4.420 nan 0.000 0.276 295 P C 0.383 177.689 177.300 0.010 0.000 1.253 295 P CA -0.108 63.052 63.100 0.100 0.000 0.766 295 P CB 0.847 32.623 31.700 0.126 0.000 0.845 296 L N 2.782 123.958 121.223 -0.079 0.000 2.376 296 L HA -0.059 4.306 4.340 0.041 0.000 0.219 296 L C 2.190 179.040 176.870 -0.032 0.000 1.133 296 L CA 1.012 55.842 54.840 -0.018 0.000 0.816 296 L CB -0.528 41.530 42.059 -0.002 0.000 0.933 296 L HN 0.351 nan 8.230 nan 0.000 0.449 297 A N 0.063 122.835 122.820 -0.081 0.000 2.238 297 A HA 0.406 4.750 4.320 0.041 0.000 0.208 297 A C 1.270 178.850 177.584 -0.005 0.000 1.177 297 A CA 0.633 52.641 52.037 -0.049 0.000 0.804 297 A CB -0.514 18.438 19.000 -0.081 0.000 0.823 297 A HN 0.442 nan 8.150 nan 0.000 0.482 298 G N -0.543 108.268 108.800 0.019 0.000 2.795 298 G HA2 -0.161 3.824 3.960 0.041 0.000 0.664 298 G HA3 -0.161 3.824 3.960 0.041 0.000 0.664 298 G C -0.595 174.336 174.900 0.053 0.000 1.381 298 G CA -0.334 44.798 45.100 0.053 0.000 0.853 298 G HN 0.508 nan 8.290 nan 0.000 0.545 299 K N 0.126 120.566 120.400 0.065 0.000 2.156 299 K HA 0.738 5.083 4.320 0.041 0.000 0.271 299 K C 0.215 176.821 176.600 0.010 0.000 0.995 299 K CA 0.172 56.483 56.287 0.041 0.000 0.890 299 K CB 1.845 34.359 32.500 0.022 0.000 1.073 299 K HN 1.459 nan 8.250 nan 0.000 0.454 300 A N 1.653 124.465 122.820 -0.014 0.000 2.566 300 A HA 0.611 4.956 4.320 0.041 0.000 0.297 300 A C -1.161 176.472 177.584 0.082 0.000 1.059 300 A CA -0.691 51.301 52.037 -0.075 0.000 0.691 300 A CB 1.698 20.433 19.000 -0.443 0.000 1.282 300 A HN 0.514 nan 8.150 nan 0.000 0.401 301 S N 0.487 116.382 115.700 0.325 0.000 2.632 301 S HA 0.752 5.247 4.470 0.041 0.000 0.289 301 S C -0.077 174.836 174.600 0.521 0.000 1.115 301 S CA -0.629 57.799 58.200 0.381 0.000 0.889 301 S CB 1.194 64.603 63.200 0.349 0.000 1.116 301 S HN 0.653 nan 8.310 nan 0.000 0.486 302 L N 1.342 122.769 121.223 0.339 0.000 2.482 302 L HA 0.513 4.877 4.340 0.041 0.000 0.242 302 L C 0.161 177.155 176.870 0.206 0.000 1.210 302 L CA -0.725 54.238 54.840 0.205 0.000 0.819 302 L CB 0.113 42.203 42.059 0.051 0.000 1.203 302 L HN 0.500 nan 8.230 nan 0.000 0.495 303 V N -3.002 116.936 119.914 0.039 0.000 2.850 303 V HA 0.195 4.340 4.120 0.041 0.000 0.315 303 V C 0.648 176.689 176.094 -0.087 0.000 1.064 303 V CA -0.773 61.517 62.300 -0.017 0.000 0.979 303 V CB 1.652 33.438 31.823 -0.062 0.000 1.039 303 V HN 0.943 nan 8.190 nan 0.000 0.452 304 W N 1.553 122.720 121.300 -0.222 0.000 2.333 304 W HA -0.195 4.489 4.660 0.040 0.000 0.316 304 W C 1.838 178.201 176.519 -0.260 0.000 1.215 304 W CA 2.483 59.691 57.345 -0.229 0.000 1.278 304 W CB -0.161 29.147 29.460 -0.253 0.000 1.154 304 W HN 0.995 nan 8.180 nan 0.000 0.486 305 D N 0.335 120.479 120.400 -0.426 0.000 2.133 305 D HA -0.310 4.354 4.640 0.041 0.000 0.195 305 D C 2.118 178.059 176.300 -0.598 0.000 0.997 305 D CA 2.311 56.021 54.000 -0.483 0.000 0.840 305 D CB -0.502 40.252 40.800 -0.077 0.000 0.947 305 D HN 0.411 nan 8.370 nan 0.000 0.452 306 E N -0.448 119.287 120.200 -0.775 0.000 2.028 306 E HA -0.183 4.192 4.350 0.041 0.000 0.191 306 E C 2.069 178.321 176.600 -0.581 0.000 0.988 306 E CA 1.022 56.887 56.400 -0.892 0.000 0.799 306 E CB -0.258 28.835 29.700 -1.011 0.000 0.755 306 E HN 0.288 nan 8.360 nan 0.000 0.447 307 A N 1.294 123.800 122.820 -0.523 0.000 1.892 307 A HA -0.296 4.049 4.320 0.041 0.000 0.218 307 A C 2.203 179.443 177.584 -0.574 0.000 1.188 307 A CA 2.010 53.777 52.037 -0.450 0.000 0.631 307 A CB -0.815 18.028 19.000 -0.263 0.000 0.822 307 A HN 0.485 nan 8.150 nan 0.000 0.447 308 Q N -0.626 118.628 119.800 -0.910 0.000 2.079 308 Q HA -0.187 4.177 4.340 0.041 0.000 0.200 308 Q C 2.199 177.923 176.000 -0.462 0.000 0.974 308 Q CA 1.804 57.110 55.803 -0.829 0.000 0.840 308 Q CB -0.154 27.847 28.738 -1.229 0.000 0.898 308 Q HN 0.675 nan 8.270 nan 0.000 0.430 309 K N 0.024 120.176 120.400 -0.414 0.000 2.097 309 K HA -0.161 4.184 4.320 0.041 0.000 0.206 309 K C 2.072 178.525 176.600 -0.244 0.000 1.049 309 K CA 0.829 56.961 56.287 -0.258 0.000 0.933 309 K CB -0.077 32.315 32.500 -0.181 0.000 0.717 309 K HN 0.184 nan 8.250 nan 0.000 0.442 310 L N 1.446 122.479 121.223 -0.316 0.000 2.131 310 L HA -0.161 4.204 4.340 0.041 0.000 0.210 310 L C 2.261 178.992 176.870 -0.233 0.000 1.092 310 L CA 2.241 56.891 54.840 -0.317 0.000 0.759 310 L CB -0.994 40.787 42.059 -0.465 0.000 0.903 310 L HN 0.373 nan 8.230 nan 0.000 0.435 311 T N -4.486 109.935 114.554 -0.222 0.000 2.881 311 T HA -0.075 4.300 4.350 0.041 0.000 0.270 311 T C 1.880 176.515 174.700 -0.109 0.000 1.068 311 T CA 0.988 63.000 62.100 -0.147 0.000 1.131 311 T CB -0.983 67.810 68.868 -0.125 0.000 0.871 311 T HN 0.372 nan 8.240 nan 0.000 0.479 312 G N 1.211 109.940 108.800 -0.118 0.000 2.408 312 G HA2 -0.022 3.962 3.960 0.041 0.000 0.213 312 G HA3 -0.022 3.962 3.960 0.041 0.000 0.213 312 G C 1.921 176.775 174.900 -0.077 0.000 1.177 312 G CA -0.200 44.848 45.100 -0.087 0.000 0.802 312 G HN 0.317 nan 8.290 nan 0.000 0.533 313 R N 0.242 120.686 120.500 -0.095 0.000 2.115 313 R HA 0.041 4.406 4.340 0.041 0.000 0.226 313 R C -0.113 176.156 176.300 -0.051 0.000 1.100 313 R CA 0.855 56.912 56.100 -0.072 0.000 0.980 313 R CB -0.185 30.062 30.300 -0.088 0.000 0.875 313 R HN 0.345 nan 8.270 nan 0.000 0.445 314 D N -0.545 119.819 120.400 -0.060 0.000 2.527 314 D HA 0.138 4.803 4.640 0.041 0.000 0.242 314 D C -2.165 174.134 176.300 -0.003 0.000 1.285 314 D CA -1.664 52.332 54.000 -0.005 0.000 0.886 314 D CB 1.242 42.082 40.800 0.066 0.000 1.402 314 D HN -0.139 nan 8.370 nan 0.000 0.528 315 P HA 0.028 nan 4.420 nan 0.000 0.234 315 P C 0.077 177.382 177.300 0.008 0.000 1.167 315 P CA 0.551 63.639 63.100 -0.021 0.000 0.763 315 P CB 0.504 32.190 31.700 -0.024 0.000 0.835 316 D N -1.490 118.925 120.400 0.025 0.000 2.388 316 D HA 0.072 4.736 4.640 0.041 0.000 0.221 316 D C 1.295 177.630 176.300 0.058 0.000 1.133 316 D CA -0.444 53.575 54.000 0.032 0.000 0.831 316 D CB -0.514 40.282 40.800 -0.007 0.000 0.962 316 D HN 0.109 nan 8.370 nan 0.000 0.502 317 F N 1.478 121.369 119.950 -0.099 0.000 2.063 317 F HA -0.302 4.250 4.527 0.041 0.000 0.298 317 F C 2.080 177.846 175.800 -0.056 0.000 1.109 317 F CA 1.977 59.908 58.000 -0.116 0.000 1.212 317 F CB 0.025 38.892 39.000 -0.221 0.000 0.973 317 F HN 0.125 nan 8.300 nan 0.000 0.480 318 H N -1.341 117.629 119.070 -0.167 0.000 2.395 318 H HA -0.073 4.508 4.556 0.041 0.000 0.299 318 H C 2.352 177.572 175.328 -0.180 0.000 1.070 318 H CA 0.822 56.625 56.048 -0.407 0.000 1.356 318 H CB -0.115 29.248 29.762 -0.665 0.000 1.401 318 H HN 0.200 nan 8.280 nan 0.000 0.524 319 R N 1.342 121.932 120.500 0.149 0.000 2.073 319 R HA -0.140 4.225 4.340 0.041 0.000 0.234 319 R C 2.406 178.802 176.300 0.160 0.000 1.134 319 R CA 1.400 57.637 56.100 0.229 0.000 0.952 319 R CB -0.043 30.377 30.300 0.201 0.000 0.850 319 R HN 0.197 nan 8.270 nan 0.000 0.433 320 R N 0.332 120.851 120.500 0.031 0.000 2.073 320 R HA -0.143 4.222 4.340 0.041 0.000 0.234 320 R C 2.230 178.530 176.300 0.000 0.000 1.134 320 R CA 1.704 57.809 56.100 0.007 0.000 0.952 320 R CB -0.270 30.000 30.300 -0.049 0.000 0.850 320 R HN 0.274 nan 8.270 nan 0.000 0.433 321 E N 0.695 120.783 120.200 -0.188 0.000 2.118 321 E HA -0.211 4.164 4.350 0.041 0.000 0.195 321 E C 1.975 178.544 176.600 -0.051 0.000 0.992 321 E CA 1.128 57.389 56.400 -0.231 0.000 0.804 321 E CB -0.056 29.312 29.700 -0.554 0.000 0.741 321 E HN 0.257 nan 8.360 nan 0.000 0.458 322 L N 0.682 121.920 121.223 0.024 0.000 2.005 322 L HA -0.129 4.235 4.340 0.041 0.000 0.207 322 L C 2.248 179.223 176.870 0.176 0.000 1.072 322 L CA 1.813 56.716 54.840 0.105 0.000 0.744 322 L CB -1.008 41.173 42.059 0.204 0.000 0.895 322 L HN 0.294 nan 8.230 nan 0.000 0.433 323 W N 0.965 122.301 121.300 0.060 0.000 2.335 323 W HA -0.220 4.464 4.660 0.039 0.000 0.311 323 W C 2.218 178.770 176.519 0.056 0.000 1.213 323 W CA 2.232 59.625 57.345 0.080 0.000 1.274 323 W CB -0.142 29.368 29.460 0.083 0.000 1.148 323 W HN 0.360 nan 8.180 nan 0.000 0.498 324 E N -0.107 120.280 120.200 0.311 0.000 2.152 324 E HA -0.125 4.249 4.350 0.041 0.000 0.192 324 E C 2.360 179.002 176.600 0.071 0.000 0.983 324 E CA 1.004 57.509 56.400 0.175 0.000 0.818 324 E CB -0.338 29.417 29.700 0.092 0.000 0.758 324 E HN 0.184 nan 8.360 nan 0.000 0.467 325 A N 1.330 124.187 122.820 0.063 0.000 1.908 325 A HA -0.194 4.150 4.320 0.041 0.000 0.218 325 A C 2.149 179.774 177.584 0.069 0.000 1.181 325 A CA 1.154 53.222 52.037 0.052 0.000 0.627 325 A CB -0.571 18.457 19.000 0.046 0.000 0.818 325 A HN 0.149 nan 8.150 nan 0.000 0.445 326 I N -0.586 120.042 120.570 0.096 0.000 2.315 326 I HA -0.219 3.976 4.170 0.041 0.000 0.248 326 I C 2.442 178.646 176.117 0.145 0.000 1.117 326 I CA 1.309 62.717 61.300 0.180 0.000 1.404 326 I CB -0.426 37.604 38.000 0.050 0.000 1.071 326 I HN 0.426 nan 8.210 nan 0.000 0.419 327 E N 0.932 121.163 120.200 0.052 0.000 2.153 327 E HA -0.186 4.189 4.350 0.041 0.000 0.194 327 E C 2.167 178.790 176.600 0.037 0.000 0.988 327 E CA 1.274 57.711 56.400 0.062 0.000 0.811 327 E CB -0.081 29.684 29.700 0.108 0.000 0.746 327 E HN 0.498 nan 8.360 nan 0.000 0.466 328 A N 0.047 122.864 122.820 -0.005 0.000 2.169 328 A HA 0.203 4.548 4.320 0.041 0.000 0.212 328 A C 1.759 179.275 177.584 -0.114 0.000 1.153 328 A CA 0.979 52.987 52.037 -0.048 0.000 0.756 328 A CB -0.081 18.868 19.000 -0.086 0.000 0.813 328 A HN 0.339 nan 8.150 nan 0.000 0.471 329 G N -0.499 108.142 108.800 -0.265 0.000 2.157 329 G HA2 -0.190 3.794 3.960 0.041 0.000 0.248 329 G HA3 -0.190 3.794 3.960 0.041 0.000 0.248 329 G C -0.212 174.186 174.900 -0.837 0.000 0.979 329 G CA 0.235 44.855 45.100 -0.801 0.000 0.650 329 G HN 0.431 nan 8.290 nan 0.000 0.529 330 D N 0.943 121.126 120.400 -0.363 0.000 2.994 330 D HA 0.273 4.937 4.640 0.041 0.000 0.240 330 D C 0.802 177.066 176.300 -0.060 0.000 1.195 330 D CA -0.196 53.698 54.000 -0.177 0.000 0.957 330 D CB -0.689 40.106 40.800 -0.007 0.000 1.105 330 D HN 0.456 nan 8.370 nan 0.000 0.477 331 F N 1.245 121.199 119.950 0.005 0.000 2.602 331 F HA 0.082 4.634 4.527 0.042 0.000 0.385 331 F C -1.377 174.396 175.800 -0.045 0.000 1.063 331 F CA -1.911 56.084 58.000 -0.009 0.000 1.233 331 F CB 0.008 39.013 39.000 0.008 0.000 1.067 331 F HN -0.133 nan 8.300 nan 0.000 0.564 332 P HA 0.004 nan 4.420 nan 0.000 0.262 332 P C -1.117 176.131 177.300 -0.088 0.000 1.199 332 P CA 0.474 63.565 63.100 -0.016 0.000 0.763 332 P CB 0.414 32.190 31.700 0.127 0.000 0.790 333 E N 2.644 122.652 120.200 -0.319 0.000 2.222 333 E HA 0.474 4.848 4.350 0.041 0.000 0.267 333 E C -1.015 175.313 176.600 -0.454 0.000 0.884 333 E CA -0.597 55.676 56.400 -0.213 0.000 0.764 333 E CB 1.548 31.219 29.700 -0.049 0.000 1.169 333 E HN 0.386 nan 8.360 nan 0.000 0.413 334 Y N 0.226 120.602 120.300 0.127 0.000 2.492 334 Y HA 0.251 4.828 4.550 0.044 0.000 0.346 334 Y C -0.247 175.892 175.900 0.398 0.000 0.997 334 Y CA -1.025 57.229 58.100 0.258 0.000 1.025 334 Y CB 2.049 40.657 38.460 0.246 0.000 1.263 334 Y HN 0.475 nan 8.280 nan 0.000 0.454 335 E N 2.526 123.047 120.200 0.535 0.000 2.174 335 E HA 0.397 4.771 4.350 0.041 0.000 0.282 335 E C -1.468 175.392 176.600 0.432 0.000 0.992 335 E CA -0.923 55.734 56.400 0.428 0.000 0.803 335 E CB 1.035 30.923 29.700 0.313 0.000 1.090 335 E HN 0.575 nan 8.360 nan 0.000 0.396 336 L N 4.256 125.637 121.223 0.263 0.000 2.331 336 L HA 0.535 4.899 4.340 0.041 0.000 0.278 336 L C -0.122 176.633 176.870 -0.192 0.000 1.106 336 L CA 0.457 55.158 54.840 -0.232 0.000 0.824 336 L CB 1.091 42.947 42.059 -0.340 0.000 1.142 336 L HN 0.554 nan 8.230 nan 0.000 0.443 337 G N 4.433 113.144 108.800 -0.148 0.000 2.563 337 G HA2 0.573 4.558 3.960 0.041 0.000 0.302 337 G HA3 0.573 4.558 3.960 0.041 0.000 0.302 337 G C -1.578 173.434 174.900 0.186 0.000 1.301 337 G CA -0.523 44.535 45.100 -0.071 0.000 0.965 337 G HN 0.482 nan 8.290 nan 0.000 0.480 338 F N 0.289 120.235 119.950 -0.006 0.000 2.507 338 F HA 0.378 4.931 4.527 0.042 0.000 0.325 338 F C 0.391 176.164 175.800 -0.046 0.000 1.116 338 F CA -0.968 57.026 58.000 -0.011 0.000 0.930 338 F CB 2.521 41.503 39.000 -0.030 0.000 1.146 338 F HN 0.130 nan 8.300 nan 0.000 0.447 339 Q N 4.436 124.331 119.800 0.158 0.000 2.296 339 Q HA 0.485 4.849 4.340 0.041 0.000 0.257 339 Q C -1.035 174.995 176.000 0.049 0.000 0.942 339 Q CA -0.456 55.392 55.803 0.074 0.000 0.939 339 Q CB 2.069 30.856 28.738 0.082 0.000 1.198 339 Q HN 0.554 nan 8.270 nan 0.000 0.429 340 L N 4.146 125.408 121.223 0.065 0.000 2.322 340 L HA 0.560 4.925 4.340 0.041 0.000 0.281 340 L C -0.827 176.092 176.870 0.081 0.000 1.014 340 L CA -0.816 54.052 54.840 0.047 0.000 0.815 340 L CB 1.233 43.327 42.059 0.057 0.000 1.247 340 L HN 0.505 nan 8.230 nan 0.000 0.421 341 I N 4.505 125.142 120.570 0.112 0.000 2.439 341 I HA 0.411 4.606 4.170 0.041 0.000 0.285 341 I C -2.299 173.929 176.117 0.185 0.000 1.021 341 I CA -1.788 59.623 61.300 0.186 0.000 1.091 341 I CB 1.745 39.890 38.000 0.242 0.000 1.242 341 I HN 0.293 nan 8.210 nan 0.000 0.439 342 P HA 0.039 nan 4.420 nan 0.000 0.270 342 P C 0.727 178.078 177.300 0.085 0.000 1.223 342 P CA -0.192 62.934 63.100 0.045 0.000 0.785 342 P CB 0.791 32.513 31.700 0.036 0.000 0.923 343 E N 1.123 121.287 120.200 -0.060 0.000 2.153 343 E HA -0.240 4.134 4.350 0.041 0.000 0.194 343 E C 0.701 177.382 176.600 0.136 0.000 0.988 343 E CA 1.257 57.628 56.400 -0.049 0.000 0.811 343 E CB 0.006 29.577 29.700 -0.215 0.000 0.746 343 E HN 0.401 nan 8.360 nan 0.000 0.466 344 E N 0.598 120.850 120.200 0.085 0.000 2.478 344 E HA -0.088 4.287 4.350 0.041 0.000 0.198 344 E C 0.645 177.299 176.600 0.090 0.000 1.046 344 E CA 0.752 57.209 56.400 0.095 0.000 0.870 344 E CB 0.100 29.836 29.700 0.060 0.000 0.818 344 E HN 0.233 nan 8.360 nan 0.000 0.527 345 D N 0.389 120.844 120.400 0.092 0.000 2.328 345 D HA -0.029 4.636 4.640 0.041 0.000 0.221 345 D C 1.274 177.577 176.300 0.004 0.000 1.072 345 D CA 0.112 54.135 54.000 0.038 0.000 0.850 345 D CB 0.034 40.872 40.800 0.063 0.000 0.922 345 D HN 0.293 nan 8.370 nan 0.000 0.516 346 E N -0.236 119.945 120.200 -0.032 0.000 2.114 346 E HA -0.207 4.168 4.350 0.041 0.000 0.199 346 E C 0.432 176.673 176.600 -0.598 0.000 1.008 346 E CA 1.123 57.284 56.400 -0.398 0.000 0.810 346 E CB 0.010 29.327 29.700 -0.638 0.000 0.739 346 E HN 0.282 nan 8.360 nan 0.000 0.456 347 F N -0.544 119.390 119.950 -0.026 0.000 2.684 347 F HA 0.276 4.828 4.527 0.041 0.000 0.298 347 F C 1.401 177.102 175.800 -0.166 0.000 1.120 347 F CA -0.270 57.688 58.000 -0.070 0.000 1.332 347 F CB 0.571 39.547 39.000 -0.040 0.000 0.986 347 F HN -0.188 nan 8.300 nan 0.000 0.524 348 K N -0.002 120.260 120.400 -0.231 0.000 2.426 348 K HA 0.115 4.460 4.320 0.041 0.000 0.193 348 K C -0.169 175.965 176.600 -0.777 0.000 1.028 348 K CA 0.355 56.341 56.287 -0.501 0.000 1.047 348 K CB 0.220 32.368 32.500 -0.586 0.000 0.821 348 K HN 0.138 nan 8.250 nan 0.000 0.513 349 F N 0.543 120.336 119.950 -0.261 0.000 2.450 349 F HA 0.096 4.648 4.527 0.042 0.000 0.328 349 F C 1.107 176.709 175.800 -0.331 0.000 1.068 349 F CA -1.244 56.500 58.000 -0.427 0.000 1.007 349 F CB 0.716 39.088 39.000 -1.047 0.000 1.251 349 F HN -0.026 nan 8.300 nan 0.000 0.492 350 D N -0.338 120.060 120.400 -0.004 0.000 2.325 350 D HA 0.073 4.738 4.640 0.041 0.000 0.225 350 D C -0.473 175.921 176.300 0.156 0.000 1.096 350 D CA 0.068 54.114 54.000 0.078 0.000 0.844 350 D CB -0.866 40.009 40.800 0.125 0.000 0.925 350 D HN 0.251 nan 8.370 nan 0.000 0.513 351 F N -1.744 118.286 119.950 0.134 0.000 2.611 351 F HA 0.552 5.103 4.527 0.040 0.000 0.324 351 F C -0.303 175.493 175.800 -0.007 0.000 1.061 351 F CA -1.725 56.278 58.000 0.005 0.000 0.954 351 F CB 0.964 39.915 39.000 -0.082 0.000 1.301 351 F HN -0.335 nan 8.300 nan 0.000 0.482 352 D N 1.687 122.108 120.400 0.036 0.000 2.277 352 D HA 0.207 4.872 4.640 0.041 0.000 0.249 352 D C 0.954 177.208 176.300 -0.078 0.000 1.134 352 D CA -0.084 53.884 54.000 -0.054 0.000 0.863 352 D CB 1.511 42.295 40.800 -0.026 0.000 1.143 352 D HN 0.748 nan 8.370 nan 0.000 0.458 353 L N 3.437 124.554 121.223 -0.176 0.000 2.265 353 L HA -0.124 4.241 4.340 0.041 0.000 0.215 353 L C 1.933 178.678 176.870 -0.209 0.000 1.117 353 L CA 0.675 55.388 54.840 -0.211 0.000 0.782 353 L CB -0.061 41.731 42.059 -0.445 0.000 0.914 353 L HN 0.460 nan 8.230 nan 0.000 0.441 354 L N -1.104 120.015 121.223 -0.174 0.000 2.591 354 L HA 0.060 4.425 4.340 0.041 0.000 0.228 354 L C 0.475 177.262 176.870 -0.139 0.000 1.133 354 L CA -0.110 54.691 54.840 -0.066 0.000 0.880 354 L CB -0.236 41.896 42.059 0.123 0.000 1.033 354 L HN 0.089 nan 8.230 nan 0.000 0.450 355 D N 2.130 122.206 120.400 -0.541 0.000 2.339 355 D HA 0.110 4.775 4.640 0.041 0.000 0.241 355 D C -1.651 174.422 176.300 -0.378 0.000 1.183 355 D CA -2.243 51.175 54.000 -0.970 0.000 0.859 355 D CB 1.504 41.520 40.800 -1.305 0.000 1.067 355 D HN -0.045 nan 8.370 nan 0.000 0.484 356 P HA 0.001 nan 4.420 nan 0.000 0.253 356 P C 0.739 177.955 177.300 -0.141 0.000 1.260 356 P CA 0.376 63.417 63.100 -0.098 0.000 0.800 356 P CB -0.059 31.673 31.700 0.054 0.000 1.162 357 T N -4.361 110.097 114.554 -0.161 0.000 3.086 357 T HA 0.163 4.537 4.350 0.041 0.000 0.250 357 T C 0.728 175.355 174.700 -0.122 0.000 1.074 357 T CA -0.113 61.903 62.100 -0.140 0.000 0.988 357 T CB -0.131 68.699 68.868 -0.063 0.000 0.988 357 T HN -0.140 nan 8.240 nan 0.000 0.530 358 K N 2.199 122.433 120.400 -0.276 0.000 2.182 358 K HA 0.570 4.914 4.320 0.041 0.000 0.262 358 K C -0.288 176.146 176.600 -0.277 0.000 0.957 358 K CA -0.842 55.174 56.287 -0.451 0.000 0.842 358 K CB 2.138 34.226 32.500 -0.686 0.000 1.099 358 K HN 0.314 nan 8.250 nan 0.000 0.438 359 L N -0.310 120.882 121.223 -0.053 0.000 2.387 359 L HA 0.632 4.996 4.340 0.041 0.000 0.266 359 L C -0.045 176.640 176.870 -0.309 0.000 1.059 359 L CA -0.450 54.299 54.840 -0.152 0.000 0.801 359 L CB 0.341 42.372 42.059 -0.046 0.000 1.223 359 L HN 0.446 nan 8.230 nan 0.000 0.456 360 I N 1.805 122.278 120.570 -0.161 0.000 2.291 360 I HA 0.357 4.552 4.170 0.041 0.000 0.290 360 I C -2.082 174.032 176.117 -0.004 0.000 1.050 360 I CA -1.650 59.598 61.300 -0.087 0.000 1.245 360 I CB 0.919 38.888 38.000 -0.051 0.000 1.405 360 I HN 0.463 nan 8.210 nan 0.000 0.478 361 P HA 0.056 nan 4.420 nan 0.000 0.268 361 P C 0.298 177.647 177.300 0.082 0.000 1.204 361 P CA -0.019 63.111 63.100 0.050 0.000 0.768 361 P CB 0.646 32.367 31.700 0.035 0.000 0.842 362 E N 1.580 121.841 120.200 0.102 0.000 2.268 362 E HA -0.181 4.194 4.350 0.041 0.000 0.195 362 E C 1.367 178.012 176.600 0.075 0.000 0.995 362 E CA 0.729 57.179 56.400 0.083 0.000 0.836 362 E CB -0.012 29.740 29.700 0.087 0.000 0.763 362 E HN 0.503 nan 8.360 nan 0.000 0.491 363 E N 0.522 120.768 120.200 0.078 0.000 2.153 363 E HA -0.148 4.227 4.350 0.041 0.000 0.194 363 E C 2.078 178.735 176.600 0.096 0.000 0.988 363 E CA 0.774 57.219 56.400 0.075 0.000 0.811 363 E CB 0.041 29.780 29.700 0.065 0.000 0.746 363 E HN 0.370 nan 8.360 nan 0.000 0.466 364 L N -0.333 120.964 121.223 0.123 0.000 2.168 364 L HA 0.036 4.401 4.340 0.041 0.000 0.203 364 L C 0.717 177.692 176.870 0.176 0.000 1.078 364 L CA 0.484 55.435 54.840 0.184 0.000 0.780 364 L CB 0.301 42.528 42.059 0.281 0.000 0.939 364 L HN -0.194 nan 8.230 nan 0.000 0.451 365 V N 1.602 121.589 119.914 0.122 0.000 2.380 365 V HA 0.320 4.465 4.120 0.041 0.000 0.286 365 V C -2.318 173.811 176.094 0.060 0.000 1.015 365 V CA -1.491 60.869 62.300 0.100 0.000 0.834 365 V CB 1.502 33.371 31.823 0.077 0.000 1.009 365 V HN -0.026 nan 8.190 nan 0.000 0.428 366 P HA 0.181 nan 4.420 nan 0.000 0.274 366 P C -0.286 177.007 177.300 -0.012 0.000 1.237 366 P CA -0.076 63.038 63.100 0.024 0.000 0.793 366 P CB 1.235 32.955 31.700 0.034 0.000 0.977 367 V N 3.009 122.884 119.914 -0.065 0.000 2.427 367 V HA 0.057 4.202 4.120 0.041 0.000 0.268 367 V C 0.945 177.018 176.094 -0.034 0.000 1.046 367 V CA 0.113 62.336 62.300 -0.128 0.000 0.970 367 V CB 0.053 31.720 31.823 -0.261 0.000 1.001 367 V HN 0.555 nan 8.190 nan 0.000 0.476 368 Q N 6.213 126.014 119.800 0.002 0.000 2.295 368 Q HA 0.296 4.661 4.340 0.041 0.000 0.259 368 Q C -0.145 175.835 176.000 -0.035 0.000 0.976 368 Q CA -0.520 55.288 55.803 0.008 0.000 0.923 368 Q CB 0.599 29.357 28.738 0.034 0.000 1.185 368 Q HN 0.659 nan 8.270 nan 0.000 0.410 369 R N 3.082 123.594 120.500 0.020 0.000 2.267 369 R HA 0.160 4.525 4.340 0.041 0.000 0.319 369 R C 0.070 176.404 176.300 0.057 0.000 1.067 369 R CA -0.346 55.797 56.100 0.072 0.000 0.936 369 R CB 1.064 31.496 30.300 0.221 0.000 1.006 369 R HN 0.510 nan 8.270 nan 0.000 0.452 370 V N 1.470 121.276 119.914 -0.180 0.000 3.484 370 V HA 0.296 4.441 4.120 0.041 0.000 0.252 370 V C 0.670 176.472 176.094 -0.486 0.000 1.282 370 V CA 1.024 63.127 62.300 -0.329 0.000 1.104 370 V CB 1.167 32.528 31.823 -0.770 0.000 0.868 370 V HN 1.027 nan 8.190 nan 0.000 0.457 371 G N -0.302 108.040 108.800 -0.764 0.000 2.441 371 G HA2 0.486 4.470 3.960 0.041 0.000 0.294 371 G HA3 0.486 4.470 3.960 0.041 0.000 0.294 371 G C -1.806 172.719 174.900 -0.626 0.000 1.393 371 G CA -0.553 43.920 45.100 -1.045 0.000 0.796 371 G HN 0.008 nan 8.290 nan 0.000 0.494 372 K N -0.229 119.911 120.400 -0.433 0.000 2.443 372 K HA 0.681 5.025 4.320 0.041 0.000 0.252 372 K C -0.754 175.918 176.600 0.119 0.000 0.933 372 K CA -0.769 55.542 56.287 0.040 0.000 0.792 372 K CB 2.038 34.610 32.500 0.119 0.000 1.185 372 K HN 0.620 nan 8.250 nan 0.000 0.425 373 M N 4.614 124.425 119.600 0.352 0.000 2.336 373 M HA 0.437 4.941 4.480 0.041 0.000 0.342 373 M C -1.643 174.642 176.300 -0.025 0.000 1.128 373 M CA -0.704 54.711 55.300 0.192 0.000 1.016 373 M CB 1.604 34.317 32.600 0.188 0.000 1.665 373 M HN 0.359 nan 8.290 nan 0.000 0.445 374 V N 6.215 125.945 119.914 -0.305 0.000 2.531 374 V HA 0.414 4.559 4.120 0.041 0.000 0.301 374 V C -0.625 175.315 176.094 -0.257 0.000 1.034 374 V CA -0.718 61.405 62.300 -0.294 0.000 0.865 374 V CB 1.816 33.330 31.823 -0.514 0.000 0.995 374 V HN 0.812 nan 8.190 nan 0.000 0.424 375 L N 5.529 126.692 121.223 -0.101 0.000 2.255 375 L HA 0.482 4.847 4.340 0.041 0.000 0.289 375 L C 0.495 177.249 176.870 -0.194 0.000 1.046 375 L CA -0.285 54.497 54.840 -0.096 0.000 0.816 375 L CB 0.865 42.925 42.059 0.001 0.000 1.197 375 L HN 0.878 nan 8.230 nan 0.000 0.427 376 N N 2.341 120.838 118.700 -0.340 0.000 2.160 376 N HA 0.123 4.888 4.740 0.041 0.000 0.226 376 N C 0.020 175.324 175.510 -0.343 0.000 1.256 376 N CA -0.368 52.213 53.050 -0.781 0.000 0.890 376 N CB 0.769 38.499 38.487 -1.262 0.000 1.116 376 N HN 0.448 nan 8.380 nan 0.000 0.517 377 R N 0.279 120.695 120.500 -0.141 0.000 2.535 377 R HA 0.316 4.681 4.340 0.041 0.000 0.274 377 R C -1.286 174.961 176.300 -0.089 0.000 1.090 377 R CA -0.550 55.494 56.100 -0.093 0.000 0.930 377 R CB 1.263 31.519 30.300 -0.074 0.000 1.223 377 R HN 0.050 nan 8.270 nan 0.000 0.441 378 N N 3.293 121.821 118.700 -0.286 0.000 2.467 378 N HA 0.285 5.050 4.740 0.041 0.000 0.262 378 N C -2.274 173.156 175.510 -0.132 0.000 1.234 378 N CA -1.219 51.515 53.050 -0.527 0.000 0.952 378 N CB 0.572 38.062 38.487 -1.661 0.000 1.158 378 N HN 0.337 nan 8.380 nan 0.000 0.463 379 P HA 0.085 nan 4.420 nan 0.000 0.272 379 P C 0.155 177.630 177.300 0.291 0.000 1.254 379 P CA -0.048 63.233 63.100 0.301 0.000 0.795 379 P CB 0.987 32.919 31.700 0.387 0.000 1.022 380 D N -1.233 119.319 120.400 0.253 0.000 2.269 380 D HA -0.016 4.649 4.640 0.041 0.000 0.220 380 D C 0.424 176.901 176.300 0.294 0.000 0.962 380 D CA 1.291 55.438 54.000 0.245 0.000 0.884 380 D CB 0.173 41.058 40.800 0.143 0.000 1.023 380 D HN 0.377 nan 8.370 nan 0.000 0.484 381 N N -0.089 118.775 118.700 0.273 0.000 2.448 381 N HA 0.011 4.776 4.740 0.041 0.000 0.279 381 N C 0.081 175.799 175.510 0.346 0.000 1.025 381 N CA -0.327 52.898 53.050 0.291 0.000 0.898 381 N CB 1.537 40.160 38.487 0.227 0.000 1.303 381 N HN -0.161 nan 8.380 nan 0.000 0.495 382 F N 4.442 124.547 119.950 0.259 0.000 2.069 382 F HA -0.183 4.368 4.527 0.041 0.000 0.298 382 F C 1.711 177.645 175.800 0.223 0.000 1.113 382 F CA 1.579 59.734 58.000 0.258 0.000 1.214 382 F CB -0.169 38.957 39.000 0.209 0.000 0.978 382 F HN 0.609 nan 8.300 nan 0.000 0.474 383 F N 0.822 121.006 119.950 0.389 0.000 2.095 383 F HA -0.151 4.402 4.527 0.043 0.000 0.298 383 F C 2.257 178.108 175.800 0.085 0.000 1.104 383 F CA 1.792 59.932 58.000 0.234 0.000 1.232 383 F CB -0.856 38.266 39.000 0.203 0.000 0.987 383 F HN -0.002 nan 8.300 nan 0.000 0.475 384 A N -0.489 122.468 122.820 0.228 0.000 1.968 384 A HA -0.098 4.247 4.320 0.041 0.000 0.217 384 A C 2.057 179.580 177.584 -0.102 0.000 1.169 384 A CA 1.777 53.864 52.037 0.083 0.000 0.638 384 A CB -0.553 18.548 19.000 0.168 0.000 0.812 384 A HN 0.582 nan 8.150 nan 0.000 0.446 385 E N -1.247 118.905 120.200 -0.080 0.000 2.175 385 E HA -0.051 4.324 4.350 0.041 0.000 0.195 385 E C 1.892 178.419 176.600 -0.122 0.000 0.934 385 E CA 0.428 56.727 56.400 -0.169 0.000 0.870 385 E CB -0.102 29.552 29.700 -0.076 0.000 0.838 385 E HN 0.551 nan 8.360 nan 0.000 0.474 386 N N 1.306 119.917 118.700 -0.148 0.000 2.245 386 N HA -0.147 4.618 4.740 0.041 0.000 0.185 386 N C 1.814 177.149 175.510 -0.293 0.000 1.036 386 N CA 1.242 54.161 53.050 -0.218 0.000 0.857 386 N CB 0.141 38.099 38.487 -0.881 0.000 1.015 386 N HN -0.067 nan 8.380 nan 0.000 0.436 387 E N 0.838 120.778 120.200 -0.433 0.000 2.153 387 E HA -0.087 4.288 4.350 0.041 0.000 0.194 387 E C 1.634 178.036 176.600 -0.330 0.000 0.988 387 E CA 1.396 57.618 56.400 -0.297 0.000 0.811 387 E CB -0.099 29.434 29.700 -0.279 0.000 0.746 387 E HN 0.481 nan 8.360 nan 0.000 0.466 388 Q N -0.379 119.165 119.800 -0.427 0.000 2.425 388 Q HA 0.251 4.615 4.340 0.041 0.000 0.204 388 Q C 0.026 175.908 176.000 -0.196 0.000 0.933 388 Q CA 0.227 55.832 55.803 -0.330 0.000 0.939 388 Q CB 0.468 28.991 28.738 -0.359 0.000 1.044 388 Q HN 0.222 nan 8.270 nan 0.000 0.513 389 A N 1.179 123.907 122.820 -0.153 0.000 2.511 389 A HA 0.424 4.769 4.320 0.041 0.000 0.242 389 A C -0.134 177.345 177.584 -0.175 0.000 1.069 389 A CA 0.226 52.161 52.037 -0.170 0.000 0.763 389 A CB 0.193 19.196 19.000 0.005 0.000 1.001 389 A HN 0.271 nan 8.150 nan 0.000 0.498 390 A N 2.680 125.338 122.820 -0.270 0.000 2.311 390 A HA 0.705 5.049 4.320 0.041 0.000 0.306 390 A C -0.739 176.697 177.584 -0.247 0.000 1.189 390 A CA -0.410 51.530 52.037 -0.162 0.000 0.791 390 A CB 0.233 19.154 19.000 -0.131 0.000 1.172 390 A HN 0.640 nan 8.150 nan 0.000 0.481 391 F N 0.866 120.820 119.950 0.008 0.000 2.458 391 F HA 0.655 5.201 4.527 0.032 0.000 0.330 391 F C 0.365 176.137 175.800 -0.046 0.000 1.082 391 F CA -0.023 57.958 58.000 -0.033 0.000 0.995 391 F CB 1.979 40.905 39.000 -0.124 0.000 1.170 391 F HN 0.755 nan 8.300 nan 0.000 0.478 392 H N 2.900 121.815 119.070 -0.259 0.000 3.026 392 H HA 0.283 4.853 4.556 0.023 0.000 0.352 392 H C -2.450 172.512 175.328 -0.609 0.000 1.090 392 H CA -1.728 53.951 56.048 -0.615 0.000 1.268 392 H CB 2.750 32.094 29.762 -0.696 0.000 1.816 392 H HN 0.191 nan 8.280 nan 0.000 0.518 393 P HA 0.001 nan 4.420 nan 0.000 0.230 393 P C 1.023 178.227 177.300 -0.160 0.000 1.158 393 P CA 1.260 64.051 63.100 -0.514 0.000 0.769 393 P CB 0.140 31.578 31.700 -0.436 0.000 0.807 394 G N -1.100 107.461 108.800 -0.399 0.000 2.744 394 G HA2 -0.123 3.861 3.960 0.041 0.000 0.211 394 G HA3 -0.123 3.861 3.960 0.041 0.000 0.211 394 G C 0.461 175.612 174.900 0.419 0.000 1.143 394 G CA -0.089 45.136 45.100 0.208 0.000 0.788 394 G HN 0.431 nan 8.290 nan 0.000 0.534 395 H N 0.980 120.190 119.070 0.233 0.000 3.356 395 H HA 0.281 4.867 4.556 0.049 0.000 0.260 395 H C 0.665 176.112 175.328 0.198 0.000 1.570 395 H CA -0.711 55.435 56.048 0.162 0.000 1.547 395 H CB -0.218 29.604 29.762 0.099 0.000 1.774 395 H HN 0.387 nan 8.280 nan 0.000 0.542 396 I N -0.632 120.072 120.570 0.222 0.000 3.217 396 I HA 0.666 4.861 4.170 0.041 0.000 0.308 396 I C -0.040 176.064 176.117 -0.022 0.000 1.091 396 I CA -1.384 59.961 61.300 0.074 0.000 1.013 396 I CB 1.818 39.748 38.000 -0.116 0.000 1.250 396 I HN 0.080 nan 8.210 nan 0.000 0.496 397 V N -2.170 117.703 119.914 -0.068 0.000 3.102 397 V HA 0.666 4.811 4.120 0.041 0.000 0.312 397 V C -2.836 173.354 176.094 0.161 0.000 1.135 397 V CA -2.563 59.765 62.300 0.047 0.000 1.022 397 V CB 0.963 32.797 31.823 0.018 0.000 1.056 397 V HN 0.631 nan 8.190 nan 0.000 0.436 398 P HA 0.384 nan 4.420 nan 0.000 0.264 398 P C 0.868 178.159 177.300 -0.015 0.000 1.193 398 P CA 1.890 65.057 63.100 0.112 0.000 0.763 398 P CB 0.717 32.462 31.700 0.076 0.000 0.810 399 G N 1.521 110.263 108.800 -0.096 0.000 2.201 399 G HA2 -0.159 3.826 3.960 0.041 0.000 0.212 399 G HA3 -0.159 3.826 3.960 0.041 0.000 0.212 399 G C -0.263 174.540 174.900 -0.161 0.000 0.994 399 G CA -0.411 44.613 45.100 -0.126 0.000 0.644 399 G HN 0.442 nan 8.290 nan 0.000 0.508 400 L N -0.181 120.956 121.223 -0.144 0.000 2.309 400 L HA 0.943 5.308 4.340 0.041 0.000 0.261 400 L C -0.501 176.299 176.870 -0.116 0.000 1.021 400 L CA -1.097 53.638 54.840 -0.174 0.000 0.823 400 L CB 2.160 44.043 42.059 -0.293 0.000 1.366 400 L HN 0.083 nan 8.230 nan 0.000 0.423 401 D N -0.842 119.476 120.400 -0.137 0.000 2.692 401 D HA 0.445 5.109 4.640 0.041 0.000 0.290 401 D C -1.247 174.963 176.300 -0.150 0.000 1.281 401 D CA -0.373 53.502 54.000 -0.208 0.000 0.804 401 D CB 1.864 42.617 40.800 -0.079 0.000 1.331 401 D HN 0.132 nan 8.370 nan 0.000 0.432 402 F N -0.173 119.909 119.950 0.219 0.000 2.251 402 F HA 0.532 5.093 4.527 0.056 0.000 0.302 402 F C 1.507 177.329 175.800 0.037 0.000 1.143 402 F CA -0.139 57.911 58.000 0.084 0.000 1.104 402 F CB 1.047 40.072 39.000 0.042 0.000 1.516 402 F HN 0.244 nan 8.300 nan 0.000 0.511 403 T N -3.339 111.319 114.554 0.174 0.000 2.716 403 T HA 0.299 4.674 4.350 0.041 0.000 0.286 403 T C -0.188 174.554 174.700 0.069 0.000 1.052 403 T CA -0.970 61.217 62.100 0.144 0.000 1.024 403 T CB 1.190 70.120 68.868 0.103 0.000 1.349 403 T HN 0.317 nan 8.240 nan 0.000 0.525 404 N N 1.125 119.869 118.700 0.074 0.000 2.383 404 N HA 0.071 4.836 4.740 0.041 0.000 0.192 404 N C 0.020 175.544 175.510 0.024 0.000 1.141 404 N CA 0.061 53.138 53.050 0.044 0.000 0.851 404 N CB -0.396 38.135 38.487 0.073 0.000 0.976 404 N HN 0.691 nan 8.380 nan 0.000 0.465 405 D N 2.277 122.675 120.400 -0.002 0.000 2.662 405 D HA -0.089 4.575 4.640 0.041 0.000 0.237 405 D C -1.390 174.903 176.300 -0.011 0.000 1.154 405 D CA -0.816 53.198 54.000 0.023 0.000 0.861 405 D CB 1.181 41.938 40.800 -0.072 0.000 1.146 405 D HN 0.164 nan 8.370 nan 0.000 0.518 406 P HA -0.098 nan 4.420 nan 0.000 0.229 406 P C 1.576 178.887 177.300 0.020 0.000 1.160 406 P CA 0.102 63.218 63.100 0.027 0.000 0.777 406 P CB 0.437 32.151 31.700 0.025 0.000 0.814 407 L N -0.262 120.990 121.223 0.048 0.000 2.068 407 L HA -0.027 4.338 4.340 0.041 0.000 0.204 407 L C 2.400 179.166 176.870 -0.173 0.000 1.076 407 L CA 1.267 56.119 54.840 0.019 0.000 0.753 407 L CB -1.535 40.624 42.059 0.167 0.000 0.910 407 L HN -0.165 nan 8.230 nan 0.000 0.439 408 L N -0.546 120.397 121.223 -0.468 0.000 2.012 408 L HA -0.246 4.119 4.340 0.041 0.000 0.210 408 L C 2.477 179.096 176.870 -0.418 0.000 1.073 408 L CA 1.824 56.200 54.840 -0.774 0.000 0.748 408 L CB -0.953 40.455 42.059 -1.086 0.000 0.891 408 L HN 0.381 nan 8.230 nan 0.000 0.431 409 Q N -0.210 119.416 119.800 -0.291 0.000 2.077 409 Q HA -0.186 4.179 4.340 0.041 0.000 0.206 409 Q C 2.095 178.014 176.000 -0.136 0.000 0.989 409 Q CA 1.928 57.604 55.803 -0.211 0.000 0.853 409 Q CB -0.854 27.811 28.738 -0.121 0.000 0.907 409 Q HN 0.712 nan 8.270 nan 0.000 0.418 410 G N 0.463 109.212 108.800 -0.084 0.000 2.421 410 G HA2 -0.204 3.781 3.960 0.041 0.000 0.217 410 G HA3 -0.204 3.781 3.960 0.041 0.000 0.217 410 G C 1.477 176.392 174.900 0.025 0.000 1.143 410 G CA 0.227 45.325 45.100 -0.003 0.000 0.784 410 G HN 0.257 nan 8.290 nan 0.000 0.541 411 R N 0.016 120.477 120.500 -0.064 0.000 2.119 411 R HA -0.082 4.283 4.340 0.041 0.000 0.246 411 R C 2.483 178.858 176.300 0.125 0.000 1.146 411 R CA 1.252 57.373 56.100 0.034 0.000 0.962 411 R CB -0.584 29.704 30.300 -0.021 0.000 0.863 411 R HN 0.350 nan 8.270 nan 0.000 0.442 412 L N -0.519 120.681 121.223 -0.038 0.000 2.127 412 L HA -0.198 4.167 4.340 0.041 0.000 0.211 412 L C 2.332 179.345 176.870 0.237 0.000 1.089 412 L CA 1.128 55.972 54.840 0.007 0.000 0.757 412 L CB -0.474 41.437 42.059 -0.247 0.000 0.899 412 L HN 0.154 nan 8.230 nan 0.000 0.434 413 F N 0.224 120.209 119.950 0.058 0.000 2.128 413 F HA -0.204 4.304 4.527 -0.032 0.000 0.295 413 F C 2.821 178.664 175.800 0.071 0.000 1.100 413 F CA 1.644 59.672 58.000 0.048 0.000 1.260 413 F CB -0.236 38.770 39.000 0.010 0.000 1.009 413 F HN -0.030 nan 8.300 nan 0.000 0.476 414 S N -0.776 114.938 115.700 0.025 0.000 2.368 414 S HA -0.212 4.282 4.470 0.041 0.000 0.224 414 S C 2.012 176.491 174.600 -0.202 0.000 1.029 414 S CA 1.338 59.440 58.200 -0.163 0.000 0.988 414 S CB -0.849 62.276 63.200 -0.125 0.000 0.838 414 S HN 0.533 nan 8.310 nan 0.000 0.462 415 Y N 1.399 121.723 120.300 0.039 0.000 2.509 415 Y HA 0.022 4.628 4.550 0.093 0.000 0.293 415 Y C 2.788 178.367 175.900 -0.534 0.000 1.133 415 Y CA 1.098 59.234 58.100 0.060 0.000 1.283 415 Y CB -0.380 39.045 38.460 1.607 0.000 1.001 415 Y HN 0.286 nan 8.280 nan 0.000 0.555 416 T N -0.846 113.339 114.554 -0.615 0.000 2.814 416 T HA -0.143 4.231 4.350 0.041 0.000 0.254 416 T C 1.437 175.919 174.700 -0.363 0.000 1.037 416 T CA 1.390 63.206 62.100 -0.473 0.000 1.143 416 T CB -0.331 68.317 68.868 -0.368 0.000 0.866 416 T HN 0.301 nan 8.240 nan 0.000 0.431 417 D N 0.922 121.047 120.400 -0.458 0.000 2.106 417 D HA -0.135 4.530 4.640 0.041 0.000 0.191 417 D C 2.236 178.369 176.300 -0.278 0.000 0.997 417 D CA 1.686 55.436 54.000 -0.416 0.000 0.834 417 D CB -0.551 39.810 40.800 -0.732 0.000 0.956 417 D HN 0.240 nan 8.370 nan 0.000 0.448 418 T N -0.982 113.400 114.554 -0.286 0.000 2.849 418 T HA -0.151 4.224 4.350 0.041 0.000 0.270 418 T C 1.603 176.172 174.700 -0.218 0.000 1.066 418 T CA 1.294 63.268 62.100 -0.209 0.000 1.130 418 T CB -0.203 68.542 68.868 -0.206 0.000 0.864 418 T HN 0.186 nan 8.240 nan 0.000 0.481 419 Q N 0.491 120.089 119.800 -0.338 0.000 2.230 419 Q HA 0.040 4.405 4.340 0.041 0.000 0.202 419 Q C 2.287 178.160 176.000 -0.212 0.000 0.963 419 Q CA 0.605 56.147 55.803 -0.434 0.000 0.866 419 Q CB -0.369 27.697 28.738 -1.120 0.000 0.931 419 Q HN 0.518 nan 8.270 nan 0.000 0.452 420 I N 1.364 121.867 120.570 -0.111 0.000 2.264 420 I HA -0.224 3.971 4.170 0.041 0.000 0.248 420 I C 2.305 178.427 176.117 0.008 0.000 1.111 420 I CA 1.746 63.048 61.300 0.004 0.000 1.382 420 I CB -1.395 36.612 38.000 0.011 0.000 1.060 420 I HN 0.185 nan 8.210 nan 0.000 0.418 421 S N 0.367 116.054 115.700 -0.022 0.000 2.427 421 S HA -0.055 4.440 4.470 0.041 0.000 0.224 421 S C 2.150 176.746 174.600 -0.007 0.000 1.047 421 S CA 0.120 58.320 58.200 0.000 0.000 0.953 421 S CB -0.372 62.829 63.200 0.002 0.000 0.824 421 S HN 0.299 nan 8.310 nan 0.000 0.502 422 R N 0.993 121.465 120.500 -0.045 0.000 2.081 422 R HA 0.131 4.496 4.340 0.041 0.000 0.235 422 R C 1.348 177.624 176.300 -0.039 0.000 1.131 422 R CA 1.491 57.563 56.100 -0.046 0.000 0.960 422 R CB -0.240 30.008 30.300 -0.086 0.000 0.856 422 R HN 0.453 nan 8.270 nan 0.000 0.436 423 L N -1.111 120.079 121.223 -0.055 0.000 2.857 423 L HA 0.341 4.706 4.340 0.041 0.000 0.249 423 L C 0.822 177.707 176.870 0.024 0.000 1.172 423 L CA 0.286 55.108 54.840 -0.031 0.000 0.980 423 L CB 1.219 43.250 42.059 -0.046 0.000 1.299 423 L HN 0.571 nan 8.230 nan 0.000 0.535 424 G N 0.056 108.892 108.800 0.061 0.000 2.176 424 G HA2 -0.122 3.863 3.960 0.041 0.000 0.253 424 G HA3 -0.122 3.863 3.960 0.041 0.000 0.253 424 G C 0.443 175.472 174.900 0.214 0.000 0.979 424 G CA -0.001 45.186 45.100 0.145 0.000 0.641 424 G HN 0.783 nan 8.290 nan 0.000 0.530 425 G N -1.566 107.351 108.800 0.195 0.000 2.343 425 G HA2 0.603 4.588 3.960 0.041 0.000 0.289 425 G HA3 0.603 4.588 3.960 0.041 0.000 0.289 425 G C -2.290 172.775 174.900 0.275 0.000 1.295 425 G CA 0.393 45.614 45.100 0.202 0.000 0.869 425 G HN 0.470 nan 8.290 nan 0.000 0.522 426 P HA 0.134 nan 4.420 nan 0.000 0.255 426 P C 0.200 177.533 177.300 0.056 0.000 1.248 426 P CA 0.264 63.482 63.100 0.197 0.000 0.807 426 P CB 0.229 31.995 31.700 0.111 0.000 1.150 427 N N 0.570 119.313 118.700 0.070 0.000 2.378 427 N HA 0.066 4.831 4.740 0.041 0.000 0.243 427 N C 0.967 176.353 175.510 -0.207 0.000 1.137 427 N CA -0.170 52.819 53.050 -0.101 0.000 0.862 427 N CB -0.621 37.831 38.487 -0.059 0.000 1.116 427 N HN 0.286 nan 8.380 nan 0.000 0.499 428 F N 0.444 120.392 119.950 -0.003 0.000 2.451 428 F HA -0.034 4.530 4.527 0.060 0.000 0.299 428 F C 2.210 177.952 175.800 -0.096 0.000 1.101 428 F CA 0.599 58.561 58.000 -0.063 0.000 1.436 428 F CB -0.682 38.294 39.000 -0.040 0.000 1.074 428 F HN 0.162 nan 8.300 nan 0.000 0.553 429 H N 0.541 119.221 119.070 -0.650 0.000 2.545 429 H HA 0.049 4.628 4.556 0.039 0.000 0.282 429 H C 0.784 175.953 175.328 -0.264 0.000 1.020 429 H CA 1.332 57.107 56.048 -0.456 0.000 1.243 429 H CB -0.757 28.604 29.762 -0.668 0.000 1.377 429 H HN 0.535 nan 8.280 nan 0.000 0.581 430 E N 0.932 120.727 120.200 -0.675 0.000 2.474 430 E HA 0.182 4.557 4.350 0.041 0.000 0.194 430 E C 0.357 176.842 176.600 -0.192 0.000 1.041 430 E CA -0.298 55.855 56.400 -0.411 0.000 0.874 430 E CB 0.546 30.010 29.700 -0.393 0.000 0.914 430 E HN 0.410 nan 8.360 nan 0.000 0.498 431 I N 3.030 123.510 120.570 -0.151 0.000 2.662 431 I HA -0.067 4.128 4.170 0.041 0.000 0.285 431 I C -1.567 174.492 176.117 -0.096 0.000 1.161 431 I CA -1.236 60.007 61.300 -0.094 0.000 1.415 431 I CB 0.502 38.461 38.000 -0.069 0.000 1.385 431 I HN -0.188 nan 8.210 nan 0.000 0.552 432 P HA -0.249 nan 4.420 nan 0.000 0.216 432 P C 1.744 178.973 177.300 -0.118 0.000 1.157 432 P CA 1.278 64.323 63.100 -0.093 0.000 0.880 432 P CB 0.167 31.818 31.700 -0.082 0.000 0.791 433 I N -0.767 119.707 120.570 -0.159 0.000 2.454 433 I HA -0.188 4.007 4.170 0.041 0.000 0.254 433 I C 1.288 177.337 176.117 -0.113 0.000 1.156 433 I CA 1.714 62.871 61.300 -0.237 0.000 1.433 433 I CB -0.681 37.064 38.000 -0.425 0.000 1.082 433 I HN -0.106 nan 8.210 nan 0.000 0.432 434 N N 0.647 119.294 118.700 -0.088 0.000 2.412 434 N HA 0.043 4.808 4.740 0.041 0.000 0.184 434 N C 0.289 175.805 175.510 0.011 0.000 1.101 434 N CA 0.190 53.215 53.050 -0.043 0.000 0.881 434 N CB -0.093 38.385 38.487 -0.015 0.000 0.969 434 N HN 0.377 nan 8.380 nan 0.000 0.459 435 R N 1.560 122.064 120.500 0.008 0.000 2.537 435 R HA 0.150 4.514 4.340 0.041 0.000 0.280 435 R C -2.202 174.163 176.300 0.108 0.000 1.058 435 R CA -1.123 54.985 56.100 0.014 0.000 1.057 435 R CB -0.040 30.255 30.300 -0.010 0.000 0.973 435 R HN 0.034 nan 8.270 nan 0.000 0.438 436 P HA 0.010 nan 4.420 nan 0.000 0.272 436 P C 0.532 177.910 177.300 0.131 0.000 1.223 436 P CA -0.124 63.060 63.100 0.140 0.000 0.784 436 P CB 0.769 32.504 31.700 0.058 0.000 0.923 437 T N -1.717 112.929 114.554 0.153 0.000 3.043 437 T HA 0.189 4.564 4.350 0.041 0.000 0.263 437 T C 0.981 175.732 174.700 0.085 0.000 1.094 437 T CA 0.139 62.283 62.100 0.073 0.000 1.127 437 T CB -0.424 68.474 68.868 0.050 0.000 0.905 437 T HN 0.476 nan 8.240 nan 0.000 0.490 438 A N 3.029 125.914 122.820 0.108 0.000 2.466 438 A HA 0.508 4.853 4.320 0.041 0.000 0.238 438 A C -2.141 175.505 177.584 0.102 0.000 1.074 438 A CA -1.224 50.873 52.037 0.100 0.000 0.774 438 A CB -0.485 18.576 19.000 0.101 0.000 1.015 438 A HN 0.278 nan 8.150 nan 0.000 0.498 439 P HA 0.274 nan 4.420 nan 0.000 0.266 439 P C -1.035 176.331 177.300 0.111 0.000 1.195 439 P CA 0.692 63.858 63.100 0.109 0.000 0.768 439 P CB 0.111 31.924 31.700 0.188 0.000 0.838 440 Y N 1.036 121.206 120.300 -0.216 0.000 2.386 440 Y HA 0.668 5.245 4.550 0.046 0.000 0.334 440 Y C -1.368 174.185 175.900 -0.577 0.000 1.002 440 Y CA -0.927 57.029 58.100 -0.239 0.000 1.068 440 Y CB 1.444 39.798 38.460 -0.177 0.000 1.203 440 Y HN 0.433 nan 8.280 nan 0.000 0.443 441 H N 3.848 122.814 119.070 -0.173 0.000 2.947 441 H HA 0.528 5.110 4.556 0.042 0.000 0.354 441 H C -1.193 174.018 175.328 -0.196 0.000 1.085 441 H CA -0.759 55.104 56.048 -0.308 0.000 1.253 441 H CB 1.646 31.268 29.762 -0.234 0.000 1.757 441 H HN 0.898 nan 8.280 nan 0.000 0.523 442 N N 0.430 119.019 118.700 -0.186 0.000 3.449 442 N HA 0.179 4.944 4.740 0.041 0.000 0.312 442 N C -1.237 174.042 175.510 -0.386 0.000 1.557 442 N CA -0.918 51.987 53.050 -0.242 0.000 0.864 442 N CB 0.681 39.180 38.487 0.021 0.000 1.799 442 N HN 0.293 nan 8.380 nan 0.000 0.554 443 F N -0.362 119.628 119.950 0.066 0.000 2.647 443 F HA 0.370 4.921 4.527 0.039 0.000 0.300 443 F C 0.383 176.225 175.800 0.069 0.000 1.106 443 F CA -0.349 57.684 58.000 0.056 0.000 1.313 443 F CB 0.238 39.265 39.000 0.045 0.000 1.007 443 F HN 0.133 nan 8.300 nan 0.000 0.536 444 Q N 1.665 121.571 119.800 0.177 0.000 2.314 444 Q HA 0.424 4.789 4.340 0.041 0.000 0.258 444 Q C 0.032 176.107 176.000 0.125 0.000 0.954 444 Q CA -0.139 55.748 55.803 0.140 0.000 0.890 444 Q CB 1.154 29.952 28.738 0.100 0.000 1.210 444 Q HN 0.106 nan 8.270 nan 0.000 0.410 445 R N 1.828 122.396 120.500 0.113 0.000 2.836 445 R HA 0.381 4.746 4.340 0.041 0.000 0.269 445 R C -0.567 175.778 176.300 0.076 0.000 1.010 445 R CA -0.644 55.512 56.100 0.094 0.000 0.930 445 R CB 1.190 31.548 30.300 0.096 0.000 1.218 445 R HN 0.711 nan 8.270 nan 0.000 0.473 446 D N -0.135 120.301 120.400 0.061 0.000 3.455 446 D HA -0.181 4.484 4.640 0.041 0.000 0.216 446 D C 0.346 176.671 176.300 0.042 0.000 1.510 446 D CA 1.915 55.941 54.000 0.043 0.000 1.128 446 D CB -1.117 39.706 40.800 0.039 0.000 0.680 446 D HN 0.906 nan 8.370 nan 0.000 0.828 447 G N -1.109 107.709 108.800 0.031 0.000 2.716 447 G HA2 0.160 4.145 3.960 0.041 0.000 0.686 447 G HA3 0.160 4.145 3.960 0.041 0.000 0.686 447 G C -0.166 174.734 174.900 -0.000 0.000 1.337 447 G CA 0.124 45.242 45.100 0.030 0.000 0.829 447 G HN 0.804 nan 8.290 nan 0.000 0.599 448 M N 1.422 121.007 119.600 -0.025 0.000 2.246 448 M HA 0.414 4.919 4.480 0.041 0.000 0.327 448 M C 1.293 177.516 176.300 -0.130 0.000 1.090 448 M CA 1.498 56.694 55.300 -0.173 0.000 1.087 448 M CB -0.668 31.788 32.600 -0.241 0.000 1.587 448 M HN 1.327 nan 8.290 nan 0.000 0.444 449 H N -0.658 118.417 119.070 0.008 0.000 2.839 449 H HA -0.164 4.415 4.556 0.039 0.000 0.298 449 H C -0.536 174.782 175.328 -0.016 0.000 1.224 449 H CA 0.624 56.672 56.048 -0.000 0.000 1.144 449 H CB -1.648 28.116 29.762 0.004 0.000 1.372 449 H HN 0.557 nan 8.280 nan 0.000 0.408 450 R N 1.339 121.863 120.500 0.039 0.000 2.296 450 R HA 0.176 4.540 4.340 0.041 0.000 0.323 450 R C 0.876 177.186 176.300 0.018 0.000 1.067 450 R CA -0.172 55.943 56.100 0.024 0.000 0.946 450 R CB 0.356 30.668 30.300 0.020 0.000 0.991 450 R HN 0.277 nan 8.270 nan 0.000 0.448 451 M N 2.341 121.941 119.600 -0.000 0.000 2.412 451 M HA 0.236 4.741 4.480 0.041 0.000 0.263 451 M C 0.935 177.231 176.300 -0.007 0.000 1.122 451 M CA 0.936 56.232 55.300 -0.006 0.000 1.179 451 M CB -0.761 31.823 32.600 -0.027 0.000 1.335 451 M HN 0.687 nan 8.290 nan 0.000 0.465 452 G N 1.926 110.724 108.800 -0.004 0.000 2.365 452 G HA2 0.408 4.393 3.960 0.041 0.000 0.249 452 G HA3 0.408 4.393 3.960 0.041 0.000 0.249 452 G C -0.389 174.507 174.900 -0.007 0.000 1.288 452 G CA -0.374 44.720 45.100 -0.009 0.000 0.887 452 G HN 0.314 nan 8.290 nan 0.000 0.524 453 I N 2.850 123.411 120.570 -0.016 0.000 2.307 453 I HA 0.104 4.299 4.170 0.041 0.000 0.287 453 I C -0.280 175.829 176.117 -0.014 0.000 1.054 453 I CA -0.558 60.737 61.300 -0.008 0.000 1.218 453 I CB 0.990 38.986 38.000 -0.006 0.000 1.398 453 I HN 0.359 nan 8.210 nan 0.000 0.475 454 D N 4.903 125.299 120.400 -0.007 0.000 2.348 454 D HA 0.051 4.716 4.640 0.041 0.000 0.253 454 D C 1.234 177.535 176.300 0.002 0.000 1.161 454 D CA 0.252 54.245 54.000 -0.011 0.000 0.876 454 D CB 1.782 42.582 40.800 -0.001 0.000 1.160 454 D HN 0.572 nan 8.370 nan 0.000 0.459 455 T N -0.707 113.843 114.554 -0.006 0.000 3.060 455 T HA -0.071 4.304 4.350 0.041 0.000 0.249 455 T C 0.849 175.556 174.700 0.012 0.000 1.079 455 T CA -0.514 61.587 62.100 0.002 0.000 1.013 455 T CB 0.151 69.013 68.868 -0.010 0.000 0.975 455 T HN 0.123 nan 8.240 nan 0.000 0.518 456 N N 3.240 121.948 118.700 0.013 0.000 2.411 456 N HA 0.098 4.863 4.740 0.041 0.000 0.261 456 N C -1.700 173.848 175.510 0.064 0.000 1.248 456 N CA -1.598 51.472 53.050 0.033 0.000 0.885 456 N CB 1.417 39.919 38.487 0.026 0.000 1.062 456 N HN 0.039 nan 8.380 nan 0.000 0.471 457 P HA -0.026 nan 4.420 nan 0.000 0.219 457 P C -0.576 176.789 177.300 0.108 0.000 1.146 457 P CA 0.972 64.119 63.100 0.079 0.000 0.808 457 P CB 0.193 31.935 31.700 0.070 0.000 0.779 458 A N 0.565 123.439 122.820 0.089 0.000 2.312 458 A HA 0.399 4.744 4.320 0.041 0.000 0.326 458 A C 0.486 178.178 177.584 0.180 0.000 1.172 458 A CA -0.644 51.398 52.037 0.009 0.000 0.821 458 A CB 0.038 18.857 19.000 -0.302 0.000 1.166 458 A HN 0.268 nan 8.150 nan 0.000 0.493 459 N N 0.181 119.030 118.700 0.250 0.000 2.338 459 N HA 0.353 5.117 4.740 0.041 0.000 0.251 459 N C -0.843 174.841 175.510 0.289 0.000 1.199 459 N CA -0.359 52.916 53.050 0.374 0.000 0.879 459 N CB 0.293 38.948 38.487 0.280 0.000 1.159 459 N HN 0.685 nan 8.380 nan 0.000 0.514 460 Y N -1.056 119.129 120.300 -0.192 0.000 2.597 460 Y HA 0.670 5.244 4.550 0.040 0.000 0.340 460 Y C -1.450 173.843 175.900 -1.012 0.000 1.097 460 Y CA -1.386 56.420 58.100 -0.489 0.000 1.037 460 Y CB 0.997 39.333 38.460 -0.207 0.000 1.305 460 Y HN 0.076 nan 8.280 nan 0.000 0.463 461 E N 0.885 120.575 120.200 -0.849 0.000 2.367 461 E HA 0.661 5.036 4.350 0.041 0.000 0.273 461 E C -3.141 173.344 176.600 -0.191 0.000 0.903 461 E CA -2.096 53.920 56.400 -0.641 0.000 0.764 461 E CB 1.661 30.937 29.700 -0.707 0.000 1.252 461 E HN 0.562 nan 8.360 nan 0.000 0.446 462 P HA 0.257 nan 4.420 nan 0.000 0.275 462 P C -1.266 175.984 177.300 -0.082 0.000 1.228 462 P CA -0.418 62.613 63.100 -0.115 0.000 0.786 462 P CB 0.454 32.123 31.700 -0.052 0.000 0.927 463 N N -1.367 117.215 118.700 -0.197 0.000 2.242 463 N HA 0.316 5.081 4.740 0.041 0.000 0.292 463 N C 0.332 175.797 175.510 -0.074 0.000 1.125 463 N CA -0.754 52.189 53.050 -0.178 0.000 0.783 463 N CB 1.465 39.541 38.487 -0.684 0.000 1.558 463 N HN 0.185 nan 8.380 nan 0.000 0.472 464 S N 0.959 116.665 115.700 0.010 0.000 2.483 464 S HA -0.024 4.471 4.470 0.041 0.000 0.221 464 S C 1.585 176.202 174.600 0.028 0.000 1.030 464 S CA 0.162 58.370 58.200 0.013 0.000 0.925 464 S CB -0.820 62.400 63.200 0.032 0.000 0.795 464 S HN 0.713 nan 8.310 nan 0.000 0.511 465 I N -0.616 119.979 120.570 0.041 0.000 2.676 465 I HA 0.191 4.386 4.170 0.041 0.000 0.259 465 I C 1.380 177.531 176.117 0.057 0.000 1.194 465 I CA 1.337 62.672 61.300 0.059 0.000 1.473 465 I CB -0.408 37.647 38.000 0.093 0.000 1.096 465 I HN 0.168 nan 8.210 nan 0.000 0.443 466 N N 1.116 119.845 118.700 0.049 0.000 2.282 466 N HA 0.034 4.799 4.740 0.041 0.000 0.240 466 N C -0.059 175.561 175.510 0.183 0.000 1.182 466 N CA -0.025 53.095 53.050 0.118 0.000 0.874 466 N CB -0.058 38.512 38.487 0.137 0.000 1.126 466 N HN 0.202 nan 8.380 nan 0.000 0.516 467 D N 0.674 121.132 120.400 0.096 0.000 2.811 467 D HA -0.265 4.400 4.640 0.041 0.000 0.231 467 D C -0.043 176.149 176.300 -0.180 0.000 1.157 467 D CA 1.073 55.095 54.000 0.036 0.000 0.716 467 D CB -1.307 39.596 40.800 0.173 0.000 1.077 467 D HN 0.478 nan 8.370 nan 0.000 0.428 468 N N -1.828 116.795 118.700 -0.128 0.000 2.828 468 N HA -0.246 4.519 4.740 0.041 0.000 0.248 468 N C -0.793 174.638 175.510 -0.132 0.000 1.044 468 N CA 1.410 54.353 53.050 -0.179 0.000 0.851 468 N CB -1.309 37.025 38.487 -0.256 0.000 1.136 468 N HN 0.521 nan 8.380 nan 0.000 0.572 469 W N 1.232 122.585 121.300 0.088 0.000 2.313 469 W HA 0.435 5.119 4.660 0.040 0.000 0.328 469 W C -1.631 174.925 176.519 0.062 0.000 1.197 469 W CA -1.565 55.812 57.345 0.053 0.000 1.235 469 W CB 0.442 29.883 29.460 -0.032 0.000 1.158 469 W HN -0.036 nan 8.180 nan 0.000 0.578 470 P HA 0.148 nan 4.420 nan 0.000 0.271 470 P C -0.704 176.725 177.300 0.214 0.000 1.216 470 P CA -0.017 63.215 63.100 0.221 0.000 0.776 470 P CB 0.918 32.599 31.700 -0.033 0.000 0.881 471 R N 1.519 122.119 120.500 0.166 0.000 2.540 471 R HA 0.300 4.665 4.340 0.041 0.000 0.287 471 R C 0.423 176.752 176.300 0.048 0.000 0.980 471 R CA -0.797 55.279 56.100 -0.039 0.000 0.966 471 R CB 1.053 31.108 30.300 -0.409 0.000 1.106 471 R HN 0.491 nan 8.270 nan 0.000 0.480 472 E N 0.781 121.002 120.200 0.035 0.000 2.459 472 E HA -0.014 4.360 4.350 0.041 0.000 0.264 472 E C -0.512 176.110 176.600 0.037 0.000 1.055 472 E CA 0.777 57.207 56.400 0.050 0.000 0.957 472 E CB 0.551 30.270 29.700 0.032 0.000 0.952 472 E HN 0.378 nan 8.360 nan 0.000 0.448 473 T N 3.342 117.930 114.554 0.056 0.000 2.879 473 T HA 0.332 4.707 4.350 0.041 0.000 0.290 473 T C -2.463 172.262 174.700 0.042 0.000 0.993 473 T CA -1.504 60.628 62.100 0.052 0.000 0.975 473 T CB 1.537 70.448 68.868 0.072 0.000 0.981 473 T HN 0.223 nan 8.240 nan 0.000 0.439 474 P HA 0.205 nan 4.420 nan 0.000 0.269 474 P C -2.345 174.962 177.300 0.010 0.000 1.209 474 P CA -1.078 62.030 63.100 0.014 0.000 0.776 474 P CB -0.231 31.472 31.700 0.006 0.000 0.876 475 P HA 0.191 nan 4.420 nan 0.000 0.268 475 P C -0.007 177.280 177.300 -0.021 0.000 1.208 475 P CA 0.461 63.545 63.100 -0.027 0.000 0.777 475 P CB 0.654 32.317 31.700 -0.063 0.000 0.875 476 G N 1.250 110.036 108.800 -0.023 0.000 2.548 476 G HA2 0.402 4.387 3.960 0.041 0.000 0.301 476 G HA3 0.402 4.387 3.960 0.041 0.000 0.301 476 G C -2.538 172.350 174.900 -0.019 0.000 1.349 476 G CA -0.704 44.386 45.100 -0.016 0.000 0.792 476 G HN 0.183 nan 8.290 nan 0.000 0.481 477 P HA 0.102 nan 4.420 nan 0.000 0.225 477 P C 0.210 177.506 177.300 -0.007 0.000 1.156 477 P CA 1.078 64.168 63.100 -0.015 0.000 0.787 477 P CB 0.461 32.155 31.700 -0.011 0.000 0.802 478 K N -1.017 119.386 120.400 0.005 0.000 2.557 478 K HA 0.305 4.650 4.320 0.041 0.000 0.261 478 K C -0.244 176.374 176.600 0.029 0.000 0.932 478 K CA -0.720 55.577 56.287 0.018 0.000 0.829 478 K CB 1.162 33.673 32.500 0.019 0.000 1.358 478 K HN -0.392 nan 8.250 nan 0.000 0.430 479 R N -0.030 120.495 120.500 0.042 0.000 3.627 479 R HA -0.154 4.211 4.340 0.041 0.000 0.281 479 R C -0.168 176.163 176.300 0.052 0.000 1.140 479 R CA 1.108 57.239 56.100 0.053 0.000 0.761 479 R CB -2.318 28.012 30.300 0.051 0.000 1.181 479 R HN 0.821 nan 8.270 nan 0.000 0.472 480 G N -0.892 107.934 108.800 0.044 0.000 2.491 480 G HA2 0.632 4.617 3.960 0.041 0.000 0.327 480 G HA3 0.632 4.617 3.960 0.041 0.000 0.327 480 G C 0.349 175.284 174.900 0.059 0.000 1.189 480 G CA 0.068 45.191 45.100 0.039 0.000 0.956 480 G HN 0.253 nan 8.290 nan 0.000 0.491 481 G N -1.231 107.606 108.800 0.062 0.000 2.572 481 G HA2 0.414 4.399 3.960 0.041 0.000 0.261 481 G HA3 0.414 4.399 3.960 0.041 0.000 0.261 481 G C -0.743 174.217 174.900 0.099 0.000 1.197 481 G CA -0.566 44.594 45.100 0.100 0.000 0.870 481 G HN 0.469 nan 8.290 nan 0.000 0.548 482 F N 0.352 120.318 119.950 0.027 0.000 2.438 482 F HA 0.418 4.973 4.527 0.047 0.000 0.356 482 F C 0.474 176.290 175.800 0.026 0.000 1.099 482 F CA -0.363 57.649 58.000 0.019 0.000 1.185 482 F CB 0.938 39.952 39.000 0.024 0.000 1.115 482 F HN 0.437 nan 8.300 nan 0.000 0.526 483 E N 4.336 124.189 120.200 -0.580 0.000 2.246 483 E HA 0.308 4.683 4.350 0.041 0.000 0.266 483 E C -1.114 175.159 176.600 -0.544 0.000 0.880 483 E CA -0.776 55.429 56.400 -0.326 0.000 0.762 483 E CB 1.521 31.117 29.700 -0.173 0.000 1.180 483 E HN 0.625 nan 8.360 nan 0.000 0.416 484 S N 2.647 118.253 115.700 -0.156 0.000 2.562 484 S HA -0.021 4.474 4.470 0.041 0.000 0.281 484 S C -0.487 174.094 174.600 -0.031 0.000 1.333 484 S CA -0.296 57.891 58.200 -0.021 0.000 1.052 484 S CB 0.101 63.423 63.200 0.203 0.000 0.884 484 S HN 0.473 nan 8.310 nan 0.000 0.506 485 Y N 2.495 122.724 120.300 -0.117 0.000 2.620 485 Y HA -0.015 4.558 4.550 0.040 0.000 0.330 485 Y C 0.852 176.731 175.900 -0.035 0.000 1.186 485 Y CA 0.172 58.216 58.100 -0.093 0.000 1.467 485 Y CB 0.175 38.578 38.460 -0.094 0.000 1.262 485 Y HN 0.581 nan 8.280 nan 0.000 0.550 486 Q N 5.267 124.672 119.800 -0.660 0.000 3.247 486 Q HA 0.044 4.409 4.340 0.041 0.000 0.326 486 Q C -0.260 175.446 176.000 -0.490 0.000 1.402 486 Q CA -0.120 55.431 55.803 -0.420 0.000 0.994 486 Q CB -0.096 28.465 28.738 -0.296 0.000 1.647 486 Q HN 0.652 nan 8.270 nan 0.000 0.523 487 E N 1.446 121.435 120.200 -0.352 0.000 2.413 487 E HA -0.002 4.372 4.350 0.041 0.000 0.263 487 E C -0.246 176.322 176.600 -0.053 0.000 1.015 487 E CA -0.361 55.964 56.400 -0.126 0.000 0.916 487 E CB 0.647 30.418 29.700 0.119 0.000 0.947 487 E HN 0.133 nan 8.360 nan 0.000 0.440 488 R N 3.005 123.498 120.500 -0.013 0.000 2.340 488 R HA 0.241 4.605 4.340 0.041 0.000 0.300 488 R C -1.492 174.830 176.300 0.037 0.000 1.069 488 R CA -0.293 55.809 56.100 0.003 0.000 0.984 488 R CB 0.950 31.258 30.300 0.014 0.000 1.003 488 R HN 0.282 nan 8.270 nan 0.000 0.459 489 V N 4.816 124.745 119.914 0.025 0.000 2.409 489 V HA 0.427 4.572 4.120 0.041 0.000 0.291 489 V C -0.481 175.626 176.094 0.022 0.000 1.020 489 V CA -0.587 61.733 62.300 0.033 0.000 0.848 489 V CB 1.570 33.411 31.823 0.029 0.000 0.990 489 V HN 0.817 nan 8.190 nan 0.000 0.430 490 E N 2.779 122.995 120.200 0.025 0.000 2.281 490 E HA 0.711 5.086 4.350 0.041 0.000 0.266 490 E C -0.097 176.509 176.600 0.010 0.000 0.893 490 E CA -0.397 56.011 56.400 0.014 0.000 0.798 490 E CB 2.371 32.080 29.700 0.014 0.000 1.245 490 E HN 0.986 nan 8.360 nan 0.000 0.410 491 G N 2.414 111.215 108.800 0.002 0.000 2.313 491 G HA2 0.114 4.098 3.960 0.041 0.000 0.296 491 G HA3 0.114 4.098 3.960 0.041 0.000 0.296 491 G C -1.485 173.410 174.900 -0.009 0.000 1.356 491 G CA -1.042 44.055 45.100 -0.005 0.000 0.833 491 G HN 0.368 nan 8.290 nan 0.000 0.552 492 N N 0.067 118.758 118.700 -0.015 0.000 2.495 492 N HA 0.438 5.203 4.740 0.041 0.000 0.280 492 N C -0.194 175.303 175.510 -0.022 0.000 1.168 492 N CA -0.530 52.510 53.050 -0.017 0.000 0.978 492 N CB 0.968 39.444 38.487 -0.018 0.000 1.191 492 N HN 0.429 nan 8.380 nan 0.000 0.497 493 K N 1.079 121.466 120.400 -0.022 0.000 2.351 493 K HA 0.164 4.508 4.320 0.041 0.000 0.287 493 K C -0.690 175.889 176.600 -0.035 0.000 1.068 493 K CA -0.112 56.158 56.287 -0.028 0.000 0.998 493 K CB -0.352 32.133 32.500 -0.026 0.000 0.968 493 K HN 0.363 nan 8.250 nan 0.000 0.464 494 V N 0.266 120.154 119.914 -0.044 0.000 3.007 494 V HA 0.481 4.625 4.120 0.041 0.000 0.311 494 V C -0.501 175.553 176.094 -0.067 0.000 1.120 494 V CA -1.362 60.908 62.300 -0.051 0.000 0.980 494 V CB 2.060 33.854 31.823 -0.048 0.000 1.033 494 V HN 0.600 nan 8.190 nan 0.000 0.429 495 R N 2.250 122.707 120.500 -0.073 0.000 2.522 495 R HA 0.588 4.953 4.340 0.041 0.000 0.290 495 R C -0.485 175.767 176.300 -0.079 0.000 1.216 495 R CA -0.116 55.929 56.100 -0.092 0.000 1.250 495 R CB 0.690 30.923 30.300 -0.111 0.000 1.143 495 R HN 0.939 nan 8.270 nan 0.000 0.553 496 E N 2.046 122.195 120.200 -0.085 0.000 2.335 496 E HA 0.231 4.605 4.350 0.041 0.000 0.280 496 E C -1.340 175.191 176.600 -0.115 0.000 0.918 496 E CA -0.996 55.356 56.400 -0.080 0.000 0.765 496 E CB 1.613 31.273 29.700 -0.067 0.000 1.218 496 E HN 0.121 nan 8.360 nan 0.000 0.425 497 R N 1.775 122.210 120.500 -0.109 0.000 2.357 497 R HA 0.261 4.626 4.340 0.041 0.000 0.296 497 R C -0.598 175.576 176.300 -0.210 0.000 1.052 497 R CA -0.051 55.939 56.100 -0.183 0.000 0.988 497 R CB 1.377 31.628 30.300 -0.082 0.000 1.025 497 R HN 0.396 nan 8.270 nan 0.000 0.469 498 S N 4.832 120.293 115.700 -0.399 0.000 2.537 498 S HA 0.099 4.594 4.470 0.041 0.000 0.286 498 S C -1.557 173.011 174.600 -0.052 0.000 1.299 498 S CA -1.156 56.903 58.200 -0.235 0.000 1.067 498 S CB 0.645 63.661 63.200 -0.306 0.000 0.864 498 S HN 0.546 nan 8.310 nan 0.000 0.494 499 P HA -0.131 nan 4.420 nan 0.000 0.217 499 P C 1.580 178.930 177.300 0.083 0.000 1.148 499 P CA 1.388 64.507 63.100 0.032 0.000 0.828 499 P CB -0.072 31.638 31.700 0.016 0.000 0.783 500 S N -2.054 113.733 115.700 0.145 0.000 2.469 500 S HA -0.126 4.369 4.470 0.041 0.000 0.238 500 S C 1.436 176.205 174.600 0.282 0.000 0.998 500 S CA 0.898 59.219 58.200 0.201 0.000 0.957 500 S CB -1.397 61.956 63.200 0.256 0.000 0.764 500 S HN -0.020 nan 8.310 nan 0.000 0.514 501 F N 2.224 122.167 119.950 -0.011 0.000 2.797 501 F HA 0.388 4.938 4.527 0.038 0.000 0.302 501 F C 2.004 177.744 175.800 -0.101 0.000 1.130 501 F CA -0.838 57.154 58.000 -0.015 0.000 1.387 501 F CB -0.672 38.351 39.000 0.039 0.000 1.107 501 F HN 0.368 nan 8.300 nan 0.000 0.577 502 G N 0.028 108.820 108.800 -0.012 0.000 3.474 502 G HA2 0.041 4.026 3.960 0.041 0.000 0.269 502 G HA3 0.041 4.026 3.960 0.041 0.000 0.269 502 G C 0.083 174.522 174.900 -0.768 0.000 1.339 502 G CA 0.112 45.027 45.100 -0.309 0.000 1.258 502 G HN 0.060 nan 8.290 nan 0.000 0.560 503 E N 0.001 119.739 120.200 -0.771 0.000 2.246 503 E HA 0.348 4.723 4.350 0.041 0.000 0.266 503 E C -0.834 175.396 176.600 -0.617 0.000 0.880 503 E CA -0.763 55.244 56.400 -0.655 0.000 0.762 503 E CB 1.512 31.066 29.700 -0.242 0.000 1.180 503 E HN 0.182 nan 8.360 nan 0.000 0.416 504 Y N 2.650 122.750 120.300 -0.334 0.000 2.432 504 Y HA 0.184 4.759 4.550 0.041 0.000 0.252 504 Y C 0.757 176.404 175.900 -0.422 0.000 1.097 504 Y CA -0.121 57.692 58.100 -0.478 0.000 1.250 504 Y CB 0.341 38.342 38.460 -0.766 0.000 1.245 504 Y HN 0.436 nan 8.280 nan 0.000 0.522 505 Y N -1.253 119.136 120.300 0.148 0.000 2.483 505 Y HA 0.087 4.663 4.550 0.043 0.000 0.258 505 Y C 2.417 178.379 175.900 0.104 0.000 1.083 505 Y CA 0.240 58.419 58.100 0.131 0.000 1.283 505 Y CB -0.370 38.172 38.460 0.136 0.000 1.178 505 Y HN 0.046 nan 8.280 nan 0.000 0.515 506 S N -0.707 115.127 115.700 0.223 0.000 2.383 506 S HA -0.189 4.306 4.470 0.041 0.000 0.227 506 S C 1.430 176.109 174.600 0.130 0.000 1.026 506 S CA 1.576 59.890 58.200 0.190 0.000 0.981 506 S CB -0.554 62.765 63.200 0.199 0.000 0.818 506 S HN 0.423 nan 8.310 nan 0.000 0.472 507 H N 2.717 121.707 119.070 -0.132 0.000 2.363 507 H HA 0.202 4.783 4.556 0.042 0.000 0.301 507 H C -0.649 174.483 175.328 -0.327 0.000 1.074 507 H CA 1.118 56.939 56.048 -0.379 0.000 1.354 507 H CB -1.708 27.613 29.762 -0.734 0.000 1.397 507 H HN 0.376 nan 8.280 nan 0.000 0.516 508 P HA -0.161 nan 4.420 nan 0.000 0.216 508 P C 1.499 178.976 177.300 0.295 0.000 1.150 508 P CA 1.687 64.929 63.100 0.235 0.000 0.843 508 P CB 0.112 31.980 31.700 0.279 0.000 0.787 509 R N -0.477 120.148 120.500 0.208 0.000 2.073 509 R HA -0.082 4.283 4.340 0.041 0.000 0.229 509 R C 2.142 178.568 176.300 0.210 0.000 1.120 509 R CA 0.962 57.192 56.100 0.217 0.000 0.967 509 R CB -1.031 29.360 30.300 0.153 0.000 0.862 509 R HN 0.051 nan 8.270 nan 0.000 0.436 510 L N 0.575 121.863 121.223 0.108 0.000 2.046 510 L HA -0.125 4.240 4.340 0.041 0.000 0.208 510 L C 1.961 178.886 176.870 0.092 0.000 1.077 510 L CA 1.718 56.586 54.840 0.046 0.000 0.747 510 L CB -0.687 41.322 42.059 -0.082 0.000 0.896 510 L HN 0.252 nan 8.230 nan 0.000 0.432 511 F N -0.808 119.162 119.950 0.035 0.000 2.102 511 F HA -0.256 4.298 4.527 0.044 0.000 0.298 511 F C 2.308 178.104 175.800 -0.007 0.000 1.105 511 F CA 2.045 60.045 58.000 -0.000 0.000 1.239 511 F CB -0.628 38.402 39.000 0.049 0.000 0.991 511 F HN 0.380 nan 8.300 nan 0.000 0.474 512 W N 1.482 122.770 121.300 -0.021 0.000 2.333 512 W HA -0.254 4.430 4.660 0.040 0.000 0.316 512 W C 1.708 178.104 176.519 -0.205 0.000 1.215 512 W CA 1.814 59.092 57.345 -0.112 0.000 1.278 512 W CB -0.781 28.703 29.460 0.040 0.000 1.154 512 W HN 0.072 nan 8.180 nan 0.000 0.486 513 L N 1.180 122.337 121.223 -0.109 0.000 2.456 513 L HA -0.147 4.217 4.340 0.041 0.000 0.224 513 L C 2.266 178.949 176.870 -0.311 0.000 1.148 513 L CA 0.954 55.654 54.840 -0.234 0.000 0.825 513 L CB -0.581 41.465 42.059 -0.021 0.000 0.937 513 L HN -0.104 nan 8.230 nan 0.000 0.450 514 S N -1.471 114.022 115.700 -0.344 0.000 2.558 514 S HA 0.060 4.555 4.470 0.041 0.000 0.217 514 S C 0.697 175.017 174.600 -0.467 0.000 0.975 514 S CA 0.022 58.020 58.200 -0.338 0.000 0.912 514 S CB 0.089 63.118 63.200 -0.284 0.000 0.776 514 S HN 0.295 nan 8.310 nan 0.000 0.526 515 Q N 2.222 121.640 119.800 -0.637 0.000 2.260 515 Q HA 0.273 4.638 4.340 0.041 0.000 0.242 515 Q C 0.562 176.174 176.000 -0.646 0.000 0.932 515 Q CA -0.125 55.261 55.803 -0.695 0.000 0.891 515 Q CB 0.477 28.729 28.738 -0.810 0.000 1.222 515 Q HN 0.417 nan 8.270 nan 0.000 0.453 516 T N -1.533 112.600 114.554 -0.702 0.000 2.795 516 T HA 0.114 4.489 4.350 0.041 0.000 0.314 516 T C -1.733 172.506 174.700 -0.768 0.000 1.069 516 T CA -1.173 60.465 62.100 -0.771 0.000 1.071 516 T CB 0.337 68.484 68.868 -1.203 0.000 0.988 516 T HN 0.230 nan 8.240 nan 0.000 0.543 517 P HA -0.013 nan 4.420 nan 0.000 0.217 517 P C 1.397 178.486 177.300 -0.353 0.000 1.150 517 P CA 1.007 63.887 63.100 -0.367 0.000 0.832 517 P CB -0.240 31.359 31.700 -0.168 0.000 0.787 518 F N 0.116 119.871 119.950 -0.325 0.000 2.186 518 F HA -0.019 4.533 4.527 0.041 0.000 0.299 518 F C 1.810 177.242 175.800 -0.614 0.000 1.090 518 F CA 0.968 58.704 58.000 -0.439 0.000 1.307 518 F CB -1.647 37.087 39.000 -0.444 0.000 1.019 518 F HN -0.098 nan 8.300 nan 0.000 0.489 519 E N 0.613 120.224 120.200 -0.983 0.000 2.077 519 E HA -0.231 4.143 4.350 0.041 0.000 0.193 519 E C 2.216 178.611 176.600 -0.343 0.000 0.989 519 E CA 1.554 57.619 56.400 -0.559 0.000 0.800 519 E CB -0.358 28.972 29.700 -0.615 0.000 0.746 519 E HN 0.639 nan 8.360 nan 0.000 0.452 520 Q N 0.426 119.943 119.800 -0.472 0.000 2.061 520 Q HA -0.215 4.150 4.340 0.041 0.000 0.204 520 Q C 2.298 178.325 176.000 0.044 0.000 0.984 520 Q CA 1.449 57.021 55.803 -0.385 0.000 0.846 520 Q CB -0.213 28.026 28.738 -0.830 0.000 0.902 520 Q HN 0.133 nan 8.270 nan 0.000 0.421 521 R N 0.082 120.580 120.500 -0.003 0.000 2.091 521 R HA -0.185 4.179 4.340 0.041 0.000 0.238 521 R C 1.831 178.301 176.300 0.283 0.000 1.136 521 R CA 1.785 57.972 56.100 0.144 0.000 0.959 521 R CB -0.179 30.180 30.300 0.098 0.000 0.856 521 R HN 0.482 nan 8.270 nan 0.000 0.437 522 H N -0.578 118.581 119.070 0.148 0.000 2.423 522 H HA -0.069 4.512 4.556 0.041 0.000 0.297 522 H C 2.150 177.587 175.328 0.182 0.000 1.075 522 H CA 1.251 57.400 56.048 0.170 0.000 1.342 522 H CB 0.044 29.912 29.762 0.177 0.000 1.395 522 H HN 0.235 nan 8.280 nan 0.000 0.530 523 I N 0.145 120.923 120.570 0.346 0.000 2.252 523 I HA -0.240 3.955 4.170 0.041 0.000 0.245 523 I C 2.280 178.675 176.117 0.463 0.000 1.102 523 I CA 0.692 62.228 61.300 0.393 0.000 1.385 523 I CB -0.085 38.236 38.000 0.534 0.000 1.064 523 I HN 0.085 nan 8.210 nan 0.000 0.414 524 V N 0.895 121.073 119.914 0.440 0.000 2.287 524 V HA -0.313 3.831 4.120 0.041 0.000 0.248 524 V C 2.027 178.292 176.094 0.284 0.000 1.053 524 V CA 2.065 64.576 62.300 0.352 0.000 1.027 524 V CB -0.651 31.336 31.823 0.273 0.000 0.646 524 V HN 0.419 nan 8.190 nan 0.000 0.447 525 D N 0.343 120.895 120.400 0.253 0.000 2.144 525 D HA -0.091 4.574 4.640 0.041 0.000 0.200 525 D C 2.161 178.539 176.300 0.131 0.000 0.978 525 D CA 1.493 55.610 54.000 0.195 0.000 0.833 525 D CB -0.569 40.351 40.800 0.200 0.000 0.961 525 D HN 0.476 nan 8.370 nan 0.000 0.470 526 G N 0.320 109.177 108.800 0.095 0.000 2.453 526 G HA2 -0.263 3.722 3.960 0.041 0.000 0.215 526 G HA3 -0.263 3.722 3.960 0.041 0.000 0.215 526 G C 1.474 176.375 174.900 0.002 0.000 1.201 526 G CA 0.287 45.347 45.100 -0.066 0.000 0.784 526 G HN 0.177 nan 8.290 nan 0.000 0.545 527 F N 1.736 121.724 119.950 0.063 0.000 2.126 527 F HA -0.090 4.462 4.527 0.042 0.000 0.299 527 F C 3.186 178.905 175.800 -0.135 0.000 1.096 527 F CA 1.610 59.580 58.000 -0.049 0.000 1.255 527 F CB -0.306 38.669 39.000 -0.041 0.000 0.997 527 F HN 0.086 nan 8.300 nan 0.000 0.479 528 S N -0.122 115.673 115.700 0.157 0.000 2.356 528 S HA -0.211 4.284 4.470 0.041 0.000 0.223 528 S C 1.867 176.485 174.600 0.031 0.000 1.032 528 S CA 1.263 59.500 58.200 0.062 0.000 1.005 528 S CB -0.789 62.470 63.200 0.098 0.000 0.867 528 S HN 0.390 nan 8.310 nan 0.000 0.449 529 F N 2.553 122.462 119.950 -0.068 0.000 2.102 529 F HA -0.125 4.426 4.527 0.040 0.000 0.298 529 F C 2.382 178.122 175.800 -0.101 0.000 1.105 529 F CA 1.567 59.516 58.000 -0.084 0.000 1.239 529 F CB -0.255 38.632 39.000 -0.189 0.000 0.991 529 F HN 0.145 nan 8.300 nan 0.000 0.474 530 E N 0.398 120.618 120.200 0.033 0.000 2.072 530 E HA -0.195 4.180 4.350 0.041 0.000 0.191 530 E C 2.372 178.806 176.600 -0.277 0.000 0.985 530 E CA 1.471 57.858 56.400 -0.021 0.000 0.801 530 E CB -0.432 29.383 29.700 0.191 0.000 0.750 530 E HN 0.476 nan 8.360 nan 0.000 0.452 531 L N 1.311 122.281 121.223 -0.421 0.000 2.141 531 L HA -0.125 4.240 4.340 0.041 0.000 0.209 531 L C 2.703 179.412 176.870 -0.269 0.000 1.094 531 L CA 1.063 55.620 54.840 -0.471 0.000 0.763 531 L CB -0.422 41.366 42.059 -0.452 0.000 0.908 531 L HN 0.142 nan 8.230 nan 0.000 0.437 532 S N -0.619 114.940 115.700 -0.235 0.000 2.469 532 S HA -0.133 4.361 4.470 0.041 0.000 0.238 532 S C 1.745 176.233 174.600 -0.188 0.000 0.998 532 S CA 0.767 58.850 58.200 -0.197 0.000 0.957 532 S CB -0.129 62.946 63.200 -0.208 0.000 0.764 532 S HN 0.266 nan 8.310 nan 0.000 0.514 533 K N 1.027 121.303 120.400 -0.207 0.000 2.404 533 K HA 0.365 4.710 4.320 0.041 0.000 0.194 533 K C -0.078 176.525 176.600 0.006 0.000 1.023 533 K CA -0.044 56.180 56.287 -0.105 0.000 1.094 533 K CB 0.039 32.476 32.500 -0.104 0.000 0.841 533 K HN 0.324 nan 8.250 nan 0.000 0.523 534 V N 2.222 122.118 119.914 -0.029 0.000 2.408 534 V HA 0.015 4.160 4.120 0.041 0.000 0.267 534 V C 1.653 177.736 176.094 -0.018 0.000 1.047 534 V CA -0.087 62.219 62.300 0.011 0.000 0.937 534 V CB 1.348 33.140 31.823 -0.051 0.000 0.999 534 V HN -0.134 nan 8.190 nan 0.000 0.472 535 V N 5.158 125.082 119.914 0.018 0.000 2.488 535 V HA -0.012 4.132 4.120 0.041 0.000 0.246 535 V C 1.320 177.404 176.094 -0.018 0.000 1.046 535 V CA 1.137 63.443 62.300 0.010 0.000 1.053 535 V CB -0.453 31.393 31.823 0.037 0.000 0.679 535 V HN 0.747 nan 8.190 nan 0.000 0.458 536 R N 0.969 121.437 120.500 -0.054 0.000 2.242 536 R HA 0.175 4.540 4.340 0.041 0.000 0.334 536 R C -1.746 174.442 176.300 -0.188 0.000 1.071 536 R CA -1.345 54.696 56.100 -0.099 0.000 0.922 536 R CB 0.652 30.840 30.300 -0.187 0.000 1.023 536 R HN 0.250 nan 8.270 nan 0.000 0.458 537 P HA -0.178 nan 4.420 nan 0.000 0.219 537 P C 0.656 177.914 177.300 -0.070 0.000 1.150 537 P CA 0.985 64.052 63.100 -0.055 0.000 0.814 537 P CB 0.016 31.723 31.700 0.011 0.000 0.787 538 Y N -1.295 119.006 120.300 0.001 0.000 2.333 538 Y HA -0.098 4.476 4.550 0.041 0.000 0.290 538 Y C 1.867 177.774 175.900 0.011 0.000 1.144 538 Y CA 0.731 58.833 58.100 0.003 0.000 1.228 538 Y CB -1.754 36.709 38.460 0.004 0.000 0.985 538 Y HN -0.100 nan 8.280 nan 0.000 0.542 539 I N 0.906 121.049 120.570 -0.711 0.000 2.286 539 I HA -0.229 3.966 4.170 0.041 0.000 0.245 539 I C 2.506 178.526 176.117 -0.162 0.000 1.104 539 I CA 1.271 62.318 61.300 -0.422 0.000 1.397 539 I CB -0.370 37.384 38.000 -0.411 0.000 1.072 539 I HN 0.189 nan 8.210 nan 0.000 0.417 540 R N 0.959 121.356 120.500 -0.172 0.000 2.083 540 R HA -0.207 4.158 4.340 0.041 0.000 0.237 540 R C 2.118 178.365 176.300 -0.087 0.000 1.137 540 R CA 1.636 57.651 56.100 -0.142 0.000 0.951 540 R CB -0.570 29.645 30.300 -0.142 0.000 0.851 540 R HN 0.436 nan 8.270 nan 0.000 0.434 541 E N 0.557 120.728 120.200 -0.049 0.000 2.085 541 E HA -0.188 4.187 4.350 0.041 0.000 0.194 541 E C 2.169 178.774 176.600 0.009 0.000 0.994 541 E CA 1.202 57.595 56.400 -0.011 0.000 0.801 541 E CB -0.055 29.663 29.700 0.031 0.000 0.743 541 E HN 0.292 nan 8.360 nan 0.000 0.453 542 R N 0.172 120.691 120.500 0.033 0.000 2.115 542 R HA -0.089 4.276 4.340 0.041 0.000 0.230 542 R C 2.370 178.698 176.300 0.045 0.000 1.111 542 R CA 0.927 57.061 56.100 0.056 0.000 0.976 542 R CB -0.151 30.203 30.300 0.089 0.000 0.870 542 R HN 0.064 nan 8.270 nan 0.000 0.445 543 V N 0.264 120.197 119.914 0.033 0.000 2.358 543 V HA -0.192 3.953 4.120 0.041 0.000 0.246 543 V C 2.298 178.376 176.094 -0.028 0.000 1.047 543 V CA 1.437 63.768 62.300 0.052 0.000 1.035 543 V CB -0.261 31.602 31.823 0.067 0.000 0.658 543 V HN 0.105 nan 8.190 nan 0.000 0.452 544 V N 0.564 120.434 119.914 -0.073 0.000 2.332 544 V HA -0.349 3.796 4.120 0.041 0.000 0.248 544 V C 2.315 178.370 176.094 -0.065 0.000 1.055 544 V CA 2.560 64.795 62.300 -0.108 0.000 1.038 544 V CB -0.743 31.020 31.823 -0.099 0.000 0.651 544 V HN 0.657 nan 8.190 nan 0.000 0.450 545 D N -0.557 119.838 120.400 -0.009 0.000 2.116 545 D HA -0.242 4.423 4.640 0.041 0.000 0.193 545 D C 2.274 178.660 176.300 0.143 0.000 0.998 545 D CA 1.725 55.755 54.000 0.050 0.000 0.836 545 D CB -0.099 40.751 40.800 0.082 0.000 0.951 545 D HN 0.523 nan 8.370 nan 0.000 0.449 546 Q N -0.502 119.355 119.800 0.094 0.000 2.096 546 Q HA -0.137 4.227 4.340 0.041 0.000 0.204 546 Q C 2.499 178.532 176.000 0.055 0.000 0.982 546 Q CA 1.031 56.898 55.803 0.106 0.000 0.850 546 Q CB -0.142 28.670 28.738 0.123 0.000 0.901 546 Q HN 0.416 nan 8.270 nan 0.000 0.422 547 L N 0.011 121.198 121.223 -0.060 0.000 2.079 547 L HA -0.189 4.175 4.340 0.041 0.000 0.210 547 L C 2.391 179.146 176.870 -0.192 0.000 1.081 547 L CA 0.901 55.626 54.840 -0.192 0.000 0.752 547 L CB -0.614 41.228 42.059 -0.362 0.000 0.896 547 L HN 0.217 nan 8.230 nan 0.000 0.433 548 A N -0.904 121.825 122.820 -0.151 0.000 2.121 548 A HA -0.185 4.160 4.320 0.041 0.000 0.218 548 A C 1.729 179.133 177.584 -0.300 0.000 1.154 548 A CA 1.155 53.065 52.037 -0.211 0.000 0.679 548 A CB -0.714 18.166 19.000 -0.200 0.000 0.795 548 A HN 0.452 nan 8.150 nan 0.000 0.458 549 H N -1.254 117.608 119.070 -0.347 0.000 2.548 549 H HA 0.264 4.845 4.556 0.042 0.000 0.268 549 H C 1.573 176.620 175.328 -0.468 0.000 0.975 549 H CA 0.985 56.684 56.048 -0.581 0.000 1.195 549 H CB 0.106 29.107 29.762 -1.268 0.000 1.397 549 H HN 0.499 nan 8.280 nan 0.000 0.572 550 I N -1.191 119.278 120.570 -0.168 0.000 2.900 550 I HA 0.087 4.282 4.170 0.041 0.000 0.251 550 I C -0.145 175.897 176.117 -0.125 0.000 1.102 550 I CA 0.432 61.698 61.300 -0.056 0.000 1.457 550 I CB 0.669 38.659 38.000 -0.018 0.000 1.285 550 I HN 0.088 nan 8.210 nan 0.000 0.459 551 D N -0.417 119.836 120.400 -0.245 0.000 2.878 551 D HA 0.166 4.831 4.640 0.041 0.000 0.211 551 D C 0.218 176.353 176.300 -0.275 0.000 1.271 551 D CA -0.378 53.463 54.000 -0.264 0.000 0.845 551 D CB 1.565 42.072 40.800 -0.487 0.000 1.679 551 D HN -0.022 nan 8.370 nan 0.000 0.536 552 L N 2.836 123.957 121.223 -0.170 0.000 2.083 552 L HA -0.074 4.291 4.340 0.041 0.000 0.209 552 L C 1.248 178.037 176.870 -0.135 0.000 1.083 552 L CA 1.705 56.458 54.840 -0.146 0.000 0.752 552 L CB -0.335 41.668 42.059 -0.092 0.000 0.899 552 L HN 0.570 nan 8.230 nan 0.000 0.433 553 T N 0.661 115.158 114.554 -0.094 0.000 2.737 553 T HA -0.194 4.181 4.350 0.041 0.000 0.265 553 T C 1.806 176.447 174.700 -0.098 0.000 1.038 553 T CA 1.470 63.558 62.100 -0.020 0.000 1.144 553 T CB -0.331 68.614 68.868 0.129 0.000 0.866 553 T HN 0.279 nan 8.240 nan 0.000 0.434 554 L N 1.891 122.902 121.223 -0.354 0.000 1.990 554 L HA -0.071 4.293 4.340 0.041 0.000 0.213 554 L C 2.594 179.244 176.870 -0.367 0.000 1.072 554 L CA 2.253 56.728 54.840 -0.608 0.000 0.755 554 L CB -1.231 40.041 42.059 -1.311 0.000 0.889 554 L HN 0.226 nan 8.230 nan 0.000 0.432 555 A N -1.094 121.523 122.820 -0.338 0.000 1.883 555 A HA -0.280 4.065 4.320 0.041 0.000 0.217 555 A C 2.198 179.684 177.584 -0.165 0.000 1.186 555 A CA 1.981 53.865 52.037 -0.254 0.000 0.624 555 A CB -0.716 18.152 19.000 -0.220 0.000 0.822 555 A HN 0.712 nan 8.150 nan 0.000 0.444 556 Q N -0.757 118.970 119.800 -0.123 0.000 2.084 556 Q HA -0.128 4.237 4.340 0.041 0.000 0.202 556 Q C 2.431 178.402 176.000 -0.048 0.000 0.978 556 Q CA 1.425 57.185 55.803 -0.072 0.000 0.844 556 Q CB -0.395 28.315 28.738 -0.046 0.000 0.898 556 Q HN 0.700 nan 8.270 nan 0.000 0.426 557 A N 0.235 123.032 122.820 -0.039 0.000 1.898 557 A HA -0.124 4.220 4.320 0.041 0.000 0.216 557 A C 2.309 179.890 177.584 -0.006 0.000 1.181 557 A CA 1.295 53.336 52.037 0.006 0.000 0.620 557 A CB -0.573 18.462 19.000 0.058 0.000 0.819 557 A HN 0.209 nan 8.150 nan 0.000 0.442 558 V N -0.233 119.648 119.914 -0.054 0.000 2.379 558 V HA -0.177 3.968 4.120 0.041 0.000 0.245 558 V C 3.049 179.107 176.094 -0.060 0.000 1.044 558 V CA 1.722 63.988 62.300 -0.056 0.000 1.036 558 V CB -1.175 30.560 31.823 -0.145 0.000 0.664 558 V HN 0.599 nan 8.190 nan 0.000 0.453 559 A N -0.203 122.570 122.820 -0.077 0.000 1.908 559 A HA -0.301 4.043 4.320 0.041 0.000 0.218 559 A C 2.301 179.864 177.584 -0.035 0.000 1.181 559 A CA 2.338 54.337 52.037 -0.062 0.000 0.627 559 A CB -0.522 18.438 19.000 -0.066 0.000 0.818 559 A HN 0.514 nan 8.150 nan 0.000 0.445 560 K N -0.338 120.049 120.400 -0.022 0.000 2.063 560 K HA -0.180 4.165 4.320 0.041 0.000 0.208 560 K C 1.498 178.100 176.600 0.003 0.000 1.048 560 K CA 1.684 57.968 56.287 -0.005 0.000 0.928 560 K CB -0.162 32.343 32.500 0.007 0.000 0.713 560 K HN 0.452 nan 8.250 nan 0.000 0.442 561 N N 0.187 118.891 118.700 0.008 0.000 2.459 561 N HA -0.098 4.667 4.740 0.041 0.000 0.181 561 N C 0.774 176.283 175.510 -0.001 0.000 1.046 561 N CA 0.706 53.767 53.050 0.018 0.000 0.904 561 N CB 0.164 38.675 38.487 0.039 0.000 0.964 561 N HN 0.122 nan 8.380 nan 0.000 0.444 562 L N -0.570 120.641 121.223 -0.020 0.000 2.693 562 L HA 0.308 4.673 4.340 0.041 0.000 0.235 562 L C 1.118 177.973 176.870 -0.026 0.000 1.127 562 L CA 0.123 54.942 54.840 -0.035 0.000 0.914 562 L CB -0.783 41.241 42.059 -0.059 0.000 1.193 562 L HN 0.173 nan 8.230 nan 0.000 0.502 563 G N 0.892 109.682 108.800 -0.016 0.000 2.221 563 G HA2 -0.287 3.697 3.960 0.041 0.000 0.265 563 G HA3 -0.287 3.697 3.960 0.041 0.000 0.265 563 G C 0.319 175.209 174.900 -0.016 0.000 1.041 563 G CA 0.411 45.504 45.100 -0.012 0.000 0.807 563 G HN 0.316 nan 8.290 nan 0.000 0.502 564 I N -0.304 120.252 120.570 -0.023 0.000 2.525 564 I HA 0.457 4.652 4.170 0.041 0.000 0.301 564 I C 0.250 176.352 176.117 -0.025 0.000 0.992 564 I CA -0.739 60.546 61.300 -0.025 0.000 1.162 564 I CB 1.766 39.744 38.000 -0.036 0.000 1.332 564 I HN 0.036 nan 8.210 nan 0.000 0.458 565 E N 4.506 124.693 120.200 -0.022 0.000 2.176 565 E HA 0.337 4.711 4.350 0.041 0.000 0.267 565 E C -1.234 175.349 176.600 -0.029 0.000 0.893 565 E CA -1.096 55.290 56.400 -0.023 0.000 0.761 565 E CB 2.186 31.876 29.700 -0.016 0.000 1.133 565 E HN 0.257 nan 8.360 nan 0.000 0.409 566 L N 2.961 124.162 121.223 -0.037 0.000 2.525 566 L HA -0.017 4.348 4.340 0.041 0.000 0.278 566 L C 1.237 178.085 176.870 -0.037 0.000 1.218 566 L CA 0.682 55.495 54.840 -0.045 0.000 0.878 566 L CB 0.084 42.109 42.059 -0.058 0.000 1.127 566 L HN 0.588 nan 8.230 nan 0.000 0.492 567 T N -1.090 113.442 114.554 -0.036 0.000 2.726 567 T HA 0.105 4.479 4.350 0.041 0.000 0.294 567 T C 0.899 175.576 174.700 -0.037 0.000 1.013 567 T CA -0.350 61.731 62.100 -0.030 0.000 0.996 567 T CB 0.464 69.317 68.868 -0.024 0.000 1.016 567 T HN 0.593 nan 8.240 nan 0.000 0.529 568 D N 0.155 120.537 120.400 -0.031 0.000 2.117 568 D HA -0.050 4.614 4.640 0.041 0.000 0.197 568 D C 1.700 177.975 176.300 -0.043 0.000 0.987 568 D CA 1.167 55.147 54.000 -0.034 0.000 0.829 568 D CB -0.165 40.620 40.800 -0.025 0.000 0.961 568 D HN 0.591 nan 8.370 nan 0.000 0.460 569 D N 0.105 120.480 120.400 -0.041 0.000 2.116 569 D HA -0.161 4.504 4.640 0.041 0.000 0.193 569 D C 2.064 178.313 176.300 -0.084 0.000 0.998 569 D CA 0.950 54.919 54.000 -0.051 0.000 0.836 569 D CB -0.227 40.551 40.800 -0.037 0.000 0.951 569 D HN 0.342 nan 8.370 nan 0.000 0.449 570 Q N -0.464 119.284 119.800 -0.086 0.000 2.079 570 Q HA -0.092 4.273 4.340 0.041 0.000 0.200 570 Q C 2.020 177.943 176.000 -0.128 0.000 0.974 570 Q CA 0.482 56.209 55.803 -0.126 0.000 0.840 570 Q CB -0.040 28.637 28.738 -0.101 0.000 0.898 570 Q HN 0.169 nan 8.270 nan 0.000 0.430 571 L N 1.127 122.296 121.223 -0.091 0.000 2.187 571 L HA -0.166 4.199 4.340 0.041 0.000 0.213 571 L C 1.243 178.064 176.870 -0.083 0.000 1.100 571 L CA 1.577 56.369 54.840 -0.080 0.000 0.765 571 L CB -0.669 41.357 42.059 -0.056 0.000 0.904 571 L HN 0.251 nan 8.230 nan 0.000 0.437 572 N N -1.022 117.626 118.700 -0.087 0.000 2.236 572 N HA 0.164 4.929 4.740 0.041 0.000 0.196 572 N C 0.358 175.807 175.510 -0.101 0.000 1.114 572 N CA -0.015 52.988 53.050 -0.078 0.000 0.859 572 N CB 0.327 38.779 38.487 -0.058 0.000 0.982 572 N HN 0.214 nan 8.380 nan 0.000 0.493 573 I N 1.551 122.027 120.570 -0.157 0.000 2.587 573 I HA -0.045 4.150 4.170 0.041 0.000 0.284 573 I C 0.406 176.435 176.117 -0.146 0.000 1.134 573 I CA 0.241 61.419 61.300 -0.203 0.000 1.410 573 I CB 0.305 38.062 38.000 -0.405 0.000 1.392 573 I HN -0.141 nan 8.210 nan 0.000 0.545 574 T N 8.489 122.986 114.554 -0.096 0.000 2.867 574 T HA 0.102 4.476 4.350 0.041 0.000 0.297 574 T C -1.871 172.797 174.700 -0.053 0.000 0.989 574 T CA -0.745 61.322 62.100 -0.055 0.000 1.159 574 T CB -0.119 68.735 68.868 -0.023 0.000 0.928 574 T HN 0.436 nan 8.240 nan 0.000 0.538 575 P HA 0.209 nan 4.420 nan 0.000 0.270 575 P C -2.419 174.897 177.300 0.027 0.000 1.223 575 P CA -1.370 61.720 63.100 -0.018 0.000 0.785 575 P CB -0.388 31.311 31.700 -0.002 0.000 0.923 576 P HA 0.204 nan 4.420 nan 0.000 0.272 576 P C -2.302 175.054 177.300 0.093 0.000 1.240 576 P CA -1.223 61.946 63.100 0.114 0.000 0.791 576 P CB -1.030 30.785 31.700 0.191 0.000 0.978 577 P HA 0.109 nan 4.420 nan 0.000 0.272 577 P C -0.227 177.125 177.300 0.086 0.000 1.240 577 P CA 0.063 63.212 63.100 0.082 0.000 0.791 577 P CB 0.353 32.102 31.700 0.083 0.000 0.978 578 D N -0.475 119.969 120.400 0.072 0.000 2.361 578 D HA 0.100 4.765 4.640 0.041 0.000 0.239 578 D C -0.143 176.210 176.300 0.087 0.000 1.200 578 D CA 0.059 54.099 54.000 0.066 0.000 0.915 578 D CB 0.348 41.181 40.800 0.055 0.000 1.170 578 D HN -0.028 nan 8.370 nan 0.000 0.444 579 V N 2.118 122.075 119.914 0.072 0.000 2.348 579 V HA 0.072 4.217 4.120 0.041 0.000 0.270 579 V C 0.241 176.430 176.094 0.159 0.000 1.037 579 V CA -0.572 61.802 62.300 0.123 0.000 0.872 579 V CB -0.017 31.799 31.823 -0.011 0.000 1.002 579 V HN 0.575 nan 8.190 nan 0.000 0.464 580 N N 4.426 123.241 118.700 0.192 0.000 2.701 580 N HA -0.242 4.523 4.740 0.041 0.000 0.252 580 N C 1.166 176.742 175.510 0.111 0.000 1.002 580 N CA 1.081 54.227 53.050 0.160 0.000 0.758 580 N CB -0.819 37.808 38.487 0.234 0.000 0.937 580 N HN 1.313 nan 8.380 nan 0.000 0.538 581 G N -2.164 106.687 108.800 0.085 0.000 2.176 581 G HA2 -0.316 3.669 3.960 0.041 0.000 0.253 581 G HA3 -0.316 3.669 3.960 0.041 0.000 0.253 581 G C 0.065 174.997 174.900 0.053 0.000 0.979 581 G CA 0.208 45.345 45.100 0.061 0.000 0.641 581 G HN 0.386 nan 8.290 nan 0.000 0.530 582 L N 1.208 122.466 121.223 0.059 0.000 2.305 582 L HA 0.426 4.791 4.340 0.041 0.000 0.281 582 L C 1.468 178.353 176.870 0.026 0.000 1.085 582 L CA -0.393 54.471 54.840 0.040 0.000 0.813 582 L CB 1.096 43.178 42.059 0.038 0.000 1.157 582 L HN 0.212 nan 8.230 nan 0.000 0.436 583 K N 3.784 124.194 120.400 0.016 0.000 2.440 583 K HA 0.240 4.584 4.320 0.041 0.000 0.206 583 K C -0.536 176.058 176.600 -0.011 0.000 1.025 583 K CA -0.252 56.041 56.287 0.010 0.000 1.135 583 K CB 0.446 32.954 32.500 0.013 0.000 0.856 583 K HN 0.742 nan 8.250 nan 0.000 0.502 584 K N -0.640 119.750 120.400 -0.017 0.000 3.120 584 K HA 0.160 4.505 4.320 0.041 0.000 0.337 584 K C -2.348 174.234 176.600 -0.029 0.000 1.147 584 K CA -0.737 55.524 56.287 -0.043 0.000 0.901 584 K CB 0.179 32.635 32.500 -0.073 0.000 1.386 584 K HN -0.112 nan 8.250 nan 0.000 0.391 585 D N 1.749 122.126 120.400 -0.038 0.000 2.478 585 D HA 0.328 4.992 4.640 0.041 0.000 0.240 585 D C -2.286 173.999 176.300 -0.024 0.000 1.364 585 D CA -1.893 52.102 54.000 -0.007 0.000 0.987 585 D CB 2.272 43.089 40.800 0.027 0.000 1.328 585 D HN 0.283 nan 8.370 nan 0.000 0.584 586 P HA -0.060 nan 4.420 nan 0.000 0.230 586 P C 1.284 178.577 177.300 -0.013 0.000 1.158 586 P CA 0.671 63.743 63.100 -0.047 0.000 0.769 586 P CB 0.254 31.938 31.700 -0.027 0.000 0.807 587 S N -1.020 114.705 115.700 0.041 0.000 2.507 587 S HA -0.061 4.434 4.470 0.041 0.000 0.235 587 S C 1.671 176.355 174.600 0.141 0.000 0.988 587 S CA 0.774 59.035 58.200 0.101 0.000 0.944 587 S CB -1.367 61.914 63.200 0.136 0.000 0.762 587 S HN 0.143 nan 8.310 nan 0.000 0.526 588 L N 1.285 122.555 121.223 0.079 0.000 2.418 588 L HA 0.178 4.543 4.340 0.041 0.000 0.218 588 L C 1.545 178.323 176.870 -0.153 0.000 1.125 588 L CA 0.223 55.104 54.840 0.067 0.000 0.835 588 L CB -0.329 41.758 42.059 0.045 0.000 0.953 588 L HN 0.334 nan 8.230 nan 0.000 0.454 589 S N -0.358 115.230 115.700 -0.188 0.000 2.586 589 S HA 0.259 4.753 4.470 0.041 0.000 0.274 589 S C 1.076 175.563 174.600 -0.189 0.000 1.281 589 S CA -0.612 57.424 58.200 -0.274 0.000 1.035 589 S CB 1.231 64.267 63.200 -0.273 0.000 0.962 589 S HN 0.172 nan 8.310 nan 0.000 0.512 590 L N 3.270 124.298 121.223 -0.324 0.000 2.217 590 L HA 0.023 4.388 4.340 0.041 0.000 0.211 590 L C 0.707 177.326 176.870 -0.418 0.000 1.107 590 L CA 1.052 55.606 54.840 -0.477 0.000 0.783 590 L CB -0.261 41.215 42.059 -0.971 0.000 0.919 590 L HN 0.762 nan 8.230 nan 0.000 0.442 591 Y N -2.715 117.587 120.300 0.003 0.000 2.476 591 Y HA 0.340 4.915 4.550 0.042 0.000 0.261 591 Y C 2.089 178.020 175.900 0.051 0.000 1.077 591 Y CA -0.270 57.886 58.100 0.093 0.000 1.240 591 Y CB -0.499 38.069 38.460 0.179 0.000 1.317 591 Y HN -0.072 nan 8.280 nan 0.000 0.540 592 A N 0.909 123.763 122.820 0.056 0.000 1.892 592 A HA -0.101 4.244 4.320 0.041 0.000 0.218 592 A C 0.964 178.586 177.584 0.062 0.000 1.188 592 A CA 1.221 53.260 52.037 0.005 0.000 0.631 592 A CB -0.768 18.181 19.000 -0.084 0.000 0.822 592 A HN 0.278 nan 8.150 nan 0.000 0.447 593 I N 0.782 121.394 120.570 0.071 0.000 2.312 593 I HA 0.239 4.433 4.170 0.041 0.000 0.290 593 I C -2.485 173.706 176.117 0.123 0.000 1.008 593 I CA -2.187 59.164 61.300 0.083 0.000 1.226 593 I CB 1.451 39.489 38.000 0.063 0.000 1.371 593 I HN 0.019 nan 8.210 nan 0.000 0.468 594 P HA -0.013 nan 4.420 nan 0.000 0.264 594 P C -0.292 177.083 177.300 0.125 0.000 1.183 594 P CA 0.500 63.689 63.100 0.148 0.000 0.763 594 P CB 0.495 32.265 31.700 0.117 0.000 0.807 595 D N 1.207 121.691 120.400 0.140 0.000 2.825 595 D HA 0.103 4.768 4.640 0.041 0.000 0.294 595 D C 0.296 176.662 176.300 0.110 0.000 1.651 595 D CA -0.225 53.843 54.000 0.114 0.000 0.847 595 D CB -0.432 40.438 40.800 0.117 0.000 1.389 595 D HN 0.367 nan 8.370 nan 0.000 0.426 596 G N 0.347 109.218 108.800 0.118 0.000 2.491 596 G HA2 0.394 4.378 3.960 0.041 0.000 0.242 596 G HA3 0.394 4.378 3.960 0.041 0.000 0.242 596 G C -0.579 174.359 174.900 0.065 0.000 1.266 596 G CA -0.058 45.104 45.100 0.103 0.000 0.844 596 G HN 0.182 nan 8.290 nan 0.000 0.571 597 D N 0.731 121.162 120.400 0.051 0.000 2.736 597 D HA 0.175 4.840 4.640 0.041 0.000 0.243 597 D C 0.912 177.224 176.300 0.020 0.000 1.304 597 D CA -0.602 53.414 54.000 0.027 0.000 0.934 597 D CB 1.854 42.663 40.800 0.015 0.000 1.382 597 D HN 0.290 nan 8.370 nan 0.000 0.571 598 V N 1.728 121.647 119.914 0.007 0.000 3.541 598 V HA 0.252 4.396 4.120 0.041 0.000 0.267 598 V C 0.991 177.066 176.094 -0.031 0.000 1.213 598 V CA 0.064 62.364 62.300 -0.000 0.000 1.149 598 V CB -0.683 31.135 31.823 -0.007 0.000 0.822 598 V HN 0.367 nan 8.190 nan 0.000 0.462 599 K N 1.204 121.578 120.400 -0.043 0.000 2.412 599 K HA 0.427 4.772 4.320 0.041 0.000 0.281 599 K C 1.276 177.828 176.600 -0.079 0.000 1.027 599 K CA 1.028 57.265 56.287 -0.083 0.000 0.989 599 K CB 0.284 32.742 32.500 -0.068 0.000 0.935 599 K HN 0.615 nan 8.250 nan 0.000 0.475 600 G N 3.249 111.962 108.800 -0.146 0.000 2.234 600 G HA2 -0.221 3.764 3.960 0.041 0.000 0.235 600 G HA3 -0.221 3.764 3.960 0.041 0.000 0.235 600 G C 0.084 175.010 174.900 0.044 0.000 0.997 600 G CA -0.245 44.839 45.100 -0.028 0.000 0.623 600 G HN 0.574 nan 8.290 nan 0.000 0.514 601 R N 0.017 120.521 120.500 0.007 0.000 2.801 601 R HA 0.572 4.936 4.340 0.041 0.000 0.273 601 R C 0.200 176.549 176.300 0.081 0.000 1.080 601 R CA 0.177 56.314 56.100 0.062 0.000 1.197 601 R CB 0.348 30.680 30.300 0.054 0.000 1.109 601 R HN 0.442 nan 8.270 nan 0.000 0.535 602 V N 0.568 120.551 119.914 0.116 0.000 2.760 602 V HA 0.360 4.504 4.120 0.041 0.000 0.309 602 V C -0.318 175.842 176.094 0.109 0.000 1.077 602 V CA -0.914 61.471 62.300 0.142 0.000 0.910 602 V CB 2.389 34.319 31.823 0.179 0.000 1.008 602 V HN 0.384 nan 8.190 nan 0.000 0.424 603 V N 2.635 122.609 119.914 0.099 0.000 2.555 603 V HA 0.821 4.966 4.120 0.041 0.000 0.302 603 V C 0.418 176.571 176.094 0.098 0.000 1.038 603 V CA -0.580 61.771 62.300 0.084 0.000 0.887 603 V CB 1.926 33.785 31.823 0.060 0.000 0.991 603 V HN 1.058 nan 8.190 nan 0.000 0.434 604 A N 5.503 128.388 122.820 0.109 0.000 2.309 604 A HA 0.812 5.157 4.320 0.041 0.000 0.298 604 A C -0.504 177.098 177.584 0.030 0.000 1.165 604 A CA -0.348 51.742 52.037 0.089 0.000 0.821 604 A CB 0.199 19.286 19.000 0.146 0.000 1.102 604 A HN 0.766 nan 8.150 nan 0.000 0.500 605 I N 3.315 123.895 120.570 0.018 0.000 2.382 605 I HA 0.216 4.410 4.170 0.041 0.000 0.285 605 I C -0.721 175.406 176.117 0.017 0.000 1.007 605 I CA -0.207 61.105 61.300 0.020 0.000 1.142 605 I CB 1.390 39.412 38.000 0.038 0.000 1.289 605 I HN 0.482 nan 8.210 nan 0.000 0.453 606 L N 7.176 128.396 121.223 -0.005 0.000 2.283 606 L HA 0.432 4.797 4.340 0.041 0.000 0.287 606 L C 0.035 177.007 176.870 0.170 0.000 1.073 606 L CA -0.338 54.552 54.840 0.083 0.000 0.822 606 L CB 0.222 42.189 42.059 -0.154 0.000 1.186 606 L HN 0.445 nan 8.230 nan 0.000 0.436 607 L N 3.486 124.858 121.223 0.249 0.000 2.468 607 L HA 0.364 4.728 4.340 0.041 0.000 0.254 607 L C 0.094 177.150 176.870 0.310 0.000 1.171 607 L CA -0.447 54.496 54.840 0.171 0.000 0.809 607 L CB 1.014 43.080 42.059 0.012 0.000 1.155 607 L HN 0.716 nan 8.230 nan 0.000 0.473 608 N N -2.315 116.463 118.700 0.130 0.000 2.571 608 N HA 0.198 4.963 4.740 0.041 0.000 0.273 608 N C -0.279 175.196 175.510 -0.058 0.000 1.340 608 N CA -0.754 52.413 53.050 0.195 0.000 0.789 608 N CB 0.737 39.335 38.487 0.185 0.000 1.514 608 N HN 0.536 nan 8.380 nan 0.000 0.499 609 D N -1.405 119.006 120.400 0.018 0.000 2.371 609 D HA -0.112 4.553 4.640 0.041 0.000 0.221 609 D C -0.410 175.852 176.300 -0.063 0.000 0.986 609 D CA 1.000 54.949 54.000 -0.085 0.000 0.899 609 D CB -0.005 40.818 40.800 0.039 0.000 0.902 609 D HN 0.732 nan 8.370 nan 0.000 0.530 610 E N 0.478 120.660 120.200 -0.030 0.000 3.284 610 E HA 0.209 4.584 4.350 0.041 0.000 0.277 610 E C -1.192 175.395 176.600 -0.022 0.000 1.218 610 E CA -0.363 56.020 56.400 -0.028 0.000 0.925 610 E CB 1.241 30.933 29.700 -0.014 0.000 1.409 610 E HN -0.114 nan 8.360 nan 0.000 0.388 611 V N 2.171 122.064 119.914 -0.035 0.000 2.655 611 V HA 0.066 4.211 4.120 0.041 0.000 0.300 611 V C 0.899 176.977 176.094 -0.027 0.000 1.044 611 V CA 0.222 62.508 62.300 -0.024 0.000 1.095 611 V CB 0.873 32.676 31.823 -0.033 0.000 0.952 611 V HN 0.473 nan 8.190 nan 0.000 0.485 612 R N 3.447 123.932 120.500 -0.025 0.000 2.435 612 R HA 0.031 4.395 4.340 0.041 0.000 0.325 612 R C 1.633 177.909 176.300 -0.039 0.000 1.149 612 R CA 0.486 56.566 56.100 -0.034 0.000 0.995 612 R CB 0.068 30.343 30.300 -0.041 0.000 1.008 612 R HN 1.000 nan 8.270 nan 0.000 0.470 613 S N 2.895 118.574 115.700 -0.034 0.000 2.402 613 S HA -0.278 4.217 4.470 0.041 0.000 0.233 613 S C 1.980 176.559 174.600 -0.035 0.000 1.030 613 S CA 1.060 59.241 58.200 -0.032 0.000 1.003 613 S CB -0.183 63.000 63.200 -0.028 0.000 0.813 613 S HN 0.680 nan 8.310 nan 0.000 0.477 614 A N 2.480 125.276 122.820 -0.040 0.000 1.902 614 A HA -0.134 4.211 4.320 0.041 0.000 0.217 614 A C 1.981 179.528 177.584 -0.061 0.000 1.181 614 A CA 1.677 53.687 52.037 -0.045 0.000 0.623 614 A CB -0.891 18.081 19.000 -0.046 0.000 0.818 614 A HN 0.471 nan 8.150 nan 0.000 0.443 615 D N -0.031 120.321 120.400 -0.080 0.000 2.087 615 D HA -0.159 4.505 4.640 0.041 0.000 0.192 615 D C 1.921 178.179 176.300 -0.069 0.000 0.993 615 D CA 1.075 55.007 54.000 -0.113 0.000 0.828 615 D CB -0.505 40.215 40.800 -0.133 0.000 0.968 615 D HN 0.346 nan 8.370 nan 0.000 0.448 616 L N 0.497 121.694 121.223 -0.043 0.000 2.083 616 L HA -0.144 4.221 4.340 0.041 0.000 0.209 616 L C 2.418 179.280 176.870 -0.012 0.000 1.083 616 L CA 0.771 55.599 54.840 -0.020 0.000 0.752 616 L CB -0.228 41.821 42.059 -0.017 0.000 0.899 616 L HN 0.098 nan 8.230 nan 0.000 0.433 617 L N -0.621 120.591 121.223 -0.019 0.000 2.046 617 L HA -0.212 4.152 4.340 0.041 0.000 0.208 617 L C 2.758 179.625 176.870 -0.006 0.000 1.077 617 L CA 1.305 56.139 54.840 -0.011 0.000 0.747 617 L CB -0.616 41.434 42.059 -0.015 0.000 0.896 617 L HN 0.282 nan 8.230 nan 0.000 0.432 618 A N -0.089 122.723 122.820 -0.013 0.000 1.929 618 A HA -0.095 4.250 4.320 0.041 0.000 0.216 618 A C 2.170 179.768 177.584 0.023 0.000 1.176 618 A CA 1.045 53.081 52.037 -0.002 0.000 0.628 618 A CB -0.466 18.520 19.000 -0.024 0.000 0.816 618 A HN 0.312 nan 8.150 nan 0.000 0.444 619 I N -0.238 120.346 120.570 0.024 0.000 2.142 619 I HA -0.251 3.944 4.170 0.041 0.000 0.240 619 I C 2.337 178.483 176.117 0.048 0.000 1.078 619 I CA 1.216 62.554 61.300 0.063 0.000 1.343 619 I CB -0.285 37.756 38.000 0.069 0.000 1.046 619 I HN 0.263 nan 8.210 nan 0.000 0.405 620 L N 0.477 121.719 121.223 0.031 0.000 2.156 620 L HA -0.179 4.185 4.340 0.041 0.000 0.208 620 L C 2.612 179.496 176.870 0.023 0.000 1.095 620 L CA 1.121 55.978 54.840 0.029 0.000 0.770 620 L CB -0.578 41.495 42.059 0.023 0.000 0.914 620 L HN 0.265 nan 8.230 nan 0.000 0.439 621 K N 0.893 121.304 120.400 0.019 0.000 2.057 621 K HA -0.180 4.165 4.320 0.041 0.000 0.207 621 K C 2.087 178.696 176.600 0.016 0.000 1.049 621 K CA 1.443 57.739 56.287 0.015 0.000 0.931 621 K CB -0.032 32.474 32.500 0.011 0.000 0.714 621 K HN 0.240 nan 8.250 nan 0.000 0.440 622 A N 1.352 124.186 122.820 0.024 0.000 1.929 622 A HA -0.029 4.316 4.320 0.041 0.000 0.216 622 A C 2.126 179.718 177.584 0.013 0.000 1.176 622 A CA 0.890 52.941 52.037 0.024 0.000 0.628 622 A CB -0.412 18.613 19.000 0.043 0.000 0.816 622 A HN 0.301 nan 8.150 nan 0.000 0.444 623 L N -0.691 120.541 121.223 0.015 0.000 2.027 623 L HA -0.178 4.187 4.340 0.041 0.000 0.206 623 L C 2.605 179.461 176.870 -0.024 0.000 1.074 623 L CA 1.903 56.741 54.840 -0.003 0.000 0.745 623 L CB -0.477 41.589 42.059 0.012 0.000 0.898 623 L HN 0.439 nan 8.230 nan 0.000 0.433 624 K N 0.526 120.921 120.400 -0.008 0.000 2.074 624 K HA -0.226 4.118 4.320 0.041 0.000 0.209 624 K C 2.060 178.647 176.600 -0.022 0.000 1.048 624 K CA 1.572 57.851 56.287 -0.013 0.000 0.926 624 K CB -0.131 32.372 32.500 0.006 0.000 0.713 624 K HN 0.287 nan 8.250 nan 0.000 0.444 625 A N 0.664 123.476 122.820 -0.013 0.000 2.019 625 A HA -0.098 4.246 4.320 0.041 0.000 0.219 625 A C 1.604 179.174 177.584 -0.023 0.000 1.164 625 A CA 1.314 53.343 52.037 -0.013 0.000 0.644 625 A CB -0.114 18.884 19.000 -0.004 0.000 0.805 625 A HN 0.140 nan 8.150 nan 0.000 0.449 626 K N -1.341 119.039 120.400 -0.033 0.000 2.358 626 K HA 0.193 4.538 4.320 0.041 0.000 0.197 626 K C 0.936 177.490 176.600 -0.077 0.000 1.025 626 K CA 0.608 56.869 56.287 -0.043 0.000 1.104 626 K CB 0.011 32.491 32.500 -0.034 0.000 0.855 626 K HN 0.690 nan 8.250 nan 0.000 0.531 627 G N 1.607 110.347 108.800 -0.100 0.000 2.221 627 G HA2 -0.228 3.756 3.960 0.041 0.000 0.265 627 G HA3 -0.228 3.756 3.960 0.041 0.000 0.265 627 G C 0.037 174.737 174.900 -0.335 0.000 1.041 627 G CA 0.276 45.269 45.100 -0.178 0.000 0.807 627 G HN 0.107 nan 8.290 nan 0.000 0.502 628 V N 0.461 120.226 119.914 -0.249 0.000 2.481 628 V HA 0.527 4.672 4.120 0.041 0.000 0.286 628 V C 0.751 176.693 176.094 -0.253 0.000 1.042 628 V CA -0.708 61.442 62.300 -0.251 0.000 0.928 628 V CB 1.253 33.018 31.823 -0.097 0.000 0.986 628 V HN 0.472 nan 8.190 nan 0.000 0.462 629 H N 1.620 120.704 119.070 0.023 0.000 2.517 629 H HA 0.812 5.393 4.556 0.041 0.000 0.346 629 H C 0.111 175.461 175.328 0.036 0.000 1.222 629 H CA -0.074 55.990 56.048 0.026 0.000 1.314 629 H CB 1.380 31.158 29.762 0.028 0.000 1.609 629 H HN 0.836 nan 8.280 nan 0.000 0.571 630 A N 0.849 123.780 122.820 0.185 0.000 2.475 630 A HA 0.535 4.880 4.320 0.041 0.000 0.301 630 A C -1.219 176.422 177.584 0.096 0.000 1.059 630 A CA -1.016 51.089 52.037 0.114 0.000 0.710 630 A CB 1.246 20.294 19.000 0.080 0.000 1.288 630 A HN 0.772 nan 8.150 nan 0.000 0.408 631 K N 2.182 122.633 120.400 0.085 0.000 2.426 631 K HA 0.698 5.043 4.320 0.041 0.000 0.254 631 K C -1.580 175.050 176.600 0.051 0.000 0.936 631 K CA -0.521 55.808 56.287 0.069 0.000 0.801 631 K CB 1.477 34.028 32.500 0.084 0.000 1.139 631 K HN 0.510 nan 8.250 nan 0.000 0.424 632 L N 4.293 125.537 121.223 0.034 0.000 2.260 632 L HA 0.330 4.695 4.340 0.041 0.000 0.289 632 L C -0.767 176.111 176.870 0.014 0.000 1.057 632 L CA -1.068 53.785 54.840 0.022 0.000 0.811 632 L CB 0.465 42.528 42.059 0.006 0.000 1.184 632 L HN 0.493 nan 8.230 nan 0.000 0.429 633 L N 4.330 125.568 121.223 0.025 0.000 2.342 633 L HA 0.622 4.986 4.340 0.041 0.000 0.271 633 L C -0.546 176.265 176.870 -0.098 0.000 1.008 633 L CA -0.426 54.393 54.840 -0.035 0.000 0.818 633 L CB 1.665 43.739 42.059 0.024 0.000 1.296 633 L HN 0.346 nan 8.230 nan 0.000 0.427 634 Y N -0.765 119.121 120.300 -0.689 0.000 2.840 634 Y HA 0.305 4.880 4.550 0.041 0.000 0.324 634 Y C 0.811 175.975 175.900 -1.227 0.000 1.378 634 Y CA -0.530 57.063 58.100 -0.845 0.000 1.077 634 Y CB 1.429 39.703 38.460 -0.309 0.000 1.361 634 Y HN 0.544 nan 8.280 nan 0.000 0.459 635 S N 0.722 115.513 115.700 -1.514 0.000 2.593 635 S HA 0.248 4.742 4.470 0.041 0.000 0.217 635 S C 0.071 174.383 174.600 -0.481 0.000 0.966 635 S CA 0.353 58.020 58.200 -0.888 0.000 0.914 635 S CB -0.196 62.627 63.200 -0.629 0.000 0.776 635 S HN 0.614 nan 8.310 nan 0.000 0.523 636 R N -1.163 119.130 120.500 -0.345 0.000 2.752 636 R HA 0.595 4.960 4.340 0.041 0.000 0.271 636 R C -0.904 175.387 176.300 -0.014 0.000 1.026 636 R CA -1.076 54.957 56.100 -0.111 0.000 0.901 636 R CB 0.514 30.791 30.300 -0.039 0.000 1.243 636 R HN -0.084 nan 8.270 nan 0.000 0.463 637 M N 0.238 119.832 119.600 -0.009 0.000 2.012 637 M HA 0.491 4.996 4.480 0.041 0.000 0.248 637 M C 1.057 177.372 176.300 0.025 0.000 1.238 637 M CA 1.015 56.317 55.300 0.004 0.000 0.980 637 M CB 0.413 33.009 32.600 -0.008 0.000 1.346 637 M HN 1.057 nan 8.290 nan 0.000 0.511 638 G N 0.781 109.587 108.800 0.010 0.000 2.578 638 G HA2 -0.129 3.856 3.960 0.041 0.000 0.232 638 G HA3 -0.129 3.856 3.960 0.041 0.000 0.232 638 G C -0.763 174.129 174.900 -0.012 0.000 1.176 638 G CA 0.088 45.190 45.100 0.004 0.000 0.968 638 G HN 0.962 nan 8.290 nan 0.000 0.583 639 E N -1.045 119.139 120.200 -0.026 0.000 2.393 639 E HA 0.722 5.097 4.350 0.041 0.000 0.273 639 E C -0.270 176.263 176.600 -0.111 0.000 0.918 639 E CA -0.594 55.769 56.400 -0.061 0.000 0.773 639 E CB 2.573 32.246 29.700 -0.045 0.000 1.275 639 E HN 1.632 nan 8.360 nan 0.000 0.451 640 V N -1.803 118.008 119.914 -0.171 0.000 3.155 640 V HA 0.755 4.900 4.120 0.041 0.000 0.313 640 V C -0.503 175.508 176.094 -0.139 0.000 1.162 640 V CA -0.727 61.443 62.300 -0.217 0.000 1.048 640 V CB 1.726 33.293 31.823 -0.427 0.000 1.092 640 V HN 0.775 nan 8.190 nan 0.000 0.447 641 T N 1.631 116.113 114.554 -0.119 0.000 2.812 641 T HA 0.796 5.171 4.350 0.041 0.000 0.282 641 T C 0.081 174.738 174.700 -0.071 0.000 0.990 641 T CA 0.205 62.259 62.100 -0.077 0.000 0.960 641 T CB 1.320 70.156 68.868 -0.054 0.000 0.948 641 T HN 1.328 nan 8.240 nan 0.000 0.438 642 A N 2.098 124.882 122.820 -0.058 0.000 2.296 642 A HA 0.424 4.769 4.320 0.041 0.000 0.264 642 A C 1.439 179.001 177.584 -0.036 0.000 1.097 642 A CA -0.438 51.570 52.037 -0.048 0.000 0.811 642 A CB 0.119 19.094 19.000 -0.042 0.000 1.072 642 A HN 0.901 nan 8.150 nan 0.000 0.495 643 D N -0.113 120.268 120.400 -0.031 0.000 2.263 643 D HA -0.168 4.497 4.640 0.041 0.000 0.208 643 D C 0.398 176.684 176.300 -0.023 0.000 0.971 643 D CA 1.461 55.446 54.000 -0.025 0.000 0.867 643 D CB -0.262 40.524 40.800 -0.023 0.000 0.929 643 D HN 0.578 nan 8.370 nan 0.000 0.492 644 D N -1.432 118.954 120.400 -0.024 0.000 2.427 644 D HA 0.257 4.922 4.640 0.041 0.000 0.224 644 D C 1.539 177.827 176.300 -0.020 0.000 1.157 644 D CA -0.046 53.942 54.000 -0.020 0.000 0.828 644 D CB -0.218 40.570 40.800 -0.019 0.000 0.974 644 D HN 0.268 nan 8.370 nan 0.000 0.498 645 G N 0.042 108.828 108.800 -0.023 0.000 2.168 645 G HA2 -0.301 3.684 3.960 0.041 0.000 0.263 645 G HA3 -0.301 3.684 3.960 0.041 0.000 0.263 645 G C 0.425 175.310 174.900 -0.025 0.000 0.977 645 G CA 0.479 45.565 45.100 -0.023 0.000 0.659 645 G HN 0.455 nan 8.290 nan 0.000 0.533 646 T N 0.885 115.423 114.554 -0.027 0.000 2.867 646 T HA 0.389 4.764 4.350 0.041 0.000 0.297 646 T C 0.719 175.399 174.700 -0.034 0.000 0.989 646 T CA 0.048 62.132 62.100 -0.027 0.000 1.159 646 T CB 1.998 70.851 68.868 -0.026 0.000 0.928 646 T HN 0.413 nan 8.240 nan 0.000 0.538 647 V N 5.947 125.842 119.914 -0.031 0.000 2.432 647 V HA 0.274 4.419 4.120 0.041 0.000 0.271 647 V C 0.239 176.309 176.094 -0.040 0.000 1.046 647 V CA -0.512 61.765 62.300 -0.038 0.000 0.945 647 V CB 0.476 32.281 31.823 -0.030 0.000 0.992 647 V HN 0.672 nan 8.190 nan 0.000 0.471 648 L N 8.340 129.529 121.223 -0.056 0.000 2.280 648 L HA 0.472 4.837 4.340 0.041 0.000 0.287 648 L C -2.343 174.492 176.870 -0.060 0.000 1.023 648 L CA -1.805 53.001 54.840 -0.056 0.000 0.819 648 L CB 1.759 43.775 42.059 -0.072 0.000 1.212 648 L HN 0.410 nan 8.230 nan 0.000 0.420 649 P HA 0.265 nan 4.420 nan 0.000 0.279 649 P C -0.549 176.733 177.300 -0.029 0.000 1.239 649 P CA -0.127 62.955 63.100 -0.030 0.000 0.789 649 P CB 1.124 32.815 31.700 -0.016 0.000 0.933 650 I N 2.028 122.582 120.570 -0.026 0.000 2.331 650 I HA 0.255 4.450 4.170 0.041 0.000 0.292 650 I C 1.514 177.626 176.117 -0.008 0.000 0.998 650 I CA -0.349 60.940 61.300 -0.018 0.000 1.267 650 I CB 1.448 39.446 38.000 -0.004 0.000 1.386 650 I HN 0.354 nan 8.210 nan 0.000 0.476 651 A N 5.138 127.956 122.820 -0.003 0.000 1.935 651 A HA 0.601 4.946 4.320 0.041 0.000 0.214 651 A C 0.973 178.559 177.584 0.003 0.000 1.178 651 A CA 1.204 53.245 52.037 0.006 0.000 0.640 651 A CB 0.027 19.038 19.000 0.019 0.000 0.825 651 A HN 0.804 nan 8.150 nan 0.000 0.447 652 A N -1.992 120.823 122.820 -0.009 0.000 2.586 652 A HA 0.574 4.919 4.320 0.041 0.000 0.290 652 A C 0.005 177.539 177.584 -0.083 0.000 1.086 652 A CA 0.084 52.111 52.037 -0.017 0.000 0.665 652 A CB -0.249 18.766 19.000 0.026 0.000 1.279 652 A HN 0.751 nan 8.150 nan 0.000 0.423 653 T N -1.558 112.938 114.554 -0.097 0.000 2.816 653 T HA 0.529 4.904 4.350 0.041 0.000 0.282 653 T C 0.970 175.609 174.700 -0.102 0.000 0.993 653 T CA 0.174 62.141 62.100 -0.222 0.000 0.994 653 T CB 0.012 68.790 68.868 -0.149 0.000 1.025 653 T HN 0.461 nan 8.240 nan 0.000 0.529 654 F N 0.477 120.443 119.950 0.026 0.000 2.126 654 F HA -0.015 4.537 4.527 0.041 0.000 0.299 654 F C 2.967 178.901 175.800 0.223 0.000 1.096 654 F CA 0.975 59.042 58.000 0.113 0.000 1.255 654 F CB -0.632 38.412 39.000 0.073 0.000 0.997 654 F HN 0.698 nan 8.300 nan 0.000 0.479 655 A N 0.255 123.248 122.820 0.288 0.000 1.970 655 A HA 0.059 4.404 4.320 0.041 0.000 0.216 655 A C 2.422 180.077 177.584 0.119 0.000 1.170 655 A CA 1.340 53.484 52.037 0.179 0.000 0.645 655 A CB -1.391 17.671 19.000 0.103 0.000 0.816 655 A HN 0.387 nan 8.150 nan 0.000 0.447 656 G N -0.614 108.241 108.800 0.091 0.000 2.408 656 G HA2 0.241 4.226 3.960 0.041 0.000 0.217 656 G HA3 0.241 4.226 3.960 0.041 0.000 0.217 656 G C 0.717 175.666 174.900 0.082 0.000 1.150 656 G CA 0.988 46.124 45.100 0.060 0.000 0.776 656 G HN 1.054 nan 8.290 nan 0.000 0.542 657 A N 0.936 123.839 122.820 0.139 0.000 2.978 657 A HA 0.702 5.047 4.320 0.041 0.000 0.341 657 A C -2.624 175.120 177.584 0.266 0.000 1.105 657 A CA -1.224 50.913 52.037 0.166 0.000 0.819 657 A CB 1.181 20.276 19.000 0.158 0.000 1.080 657 A HN 0.122 nan 8.150 nan 0.000 0.476 658 P HA 0.046 nan 4.420 nan 0.000 0.271 658 P C 1.366 178.502 177.300 -0.273 0.000 1.233 658 P CA 0.291 63.344 63.100 -0.078 0.000 0.789 658 P CB 0.747 32.388 31.700 -0.098 0.000 0.951 659 S N 1.007 116.179 115.700 -0.880 0.000 2.440 659 S HA -0.177 4.318 4.470 0.041 0.000 0.240 659 S C 1.807 176.261 174.600 -0.245 0.000 1.014 659 S CA 1.149 58.981 58.200 -0.614 0.000 0.980 659 S CB -1.397 61.347 63.200 -0.760 0.000 0.775 659 S HN 0.350 nan 8.310 nan 0.000 0.499 660 L N 1.710 122.792 121.223 -0.234 0.000 2.089 660 L HA -0.131 4.234 4.340 0.041 0.000 0.213 660 L C 2.960 179.653 176.870 -0.296 0.000 1.079 660 L CA 1.804 56.497 54.840 -0.245 0.000 0.758 660 L CB -1.480 40.411 42.059 -0.279 0.000 0.891 660 L HN 0.668 nan 8.230 nan 0.000 0.433 661 T N -3.436 111.013 114.554 -0.175 0.000 3.107 661 T HA 0.221 4.596 4.350 0.041 0.000 0.249 661 T C 0.385 175.165 174.700 0.133 0.000 1.096 661 T CA 0.141 62.210 62.100 -0.051 0.000 1.012 661 T CB -0.342 68.588 68.868 0.103 0.000 0.977 661 T HN 0.162 nan 8.240 nan 0.000 0.527 662 V N -2.463 117.496 119.914 0.075 0.000 3.103 662 V HA 0.576 4.720 4.120 0.041 0.000 0.318 662 V C -0.032 176.106 176.094 0.073 0.000 1.114 662 V CA -0.944 61.427 62.300 0.118 0.000 1.020 662 V CB 2.051 33.961 31.823 0.145 0.000 1.085 662 V HN 0.004 nan 8.190 nan 0.000 0.446 663 D N 0.800 121.247 120.400 0.078 0.000 2.366 663 D HA 0.498 5.163 4.640 0.041 0.000 0.205 663 D C 0.521 176.807 176.300 -0.023 0.000 1.022 663 D CA 1.429 55.451 54.000 0.037 0.000 0.868 663 D CB 1.513 42.358 40.800 0.074 0.000 0.953 663 D HN 0.979 nan 8.370 nan 0.000 0.514 664 A N 0.152 122.974 122.820 0.003 0.000 2.597 664 A HA 0.514 4.859 4.320 0.041 0.000 0.292 664 A C -1.594 176.008 177.584 0.031 0.000 1.057 664 A CA -0.545 51.481 52.037 -0.017 0.000 0.674 664 A CB 1.430 20.408 19.000 -0.038 0.000 1.278 664 A HN -0.105 nan 8.150 nan 0.000 0.416 665 V N 1.260 121.186 119.914 0.021 0.000 2.588 665 V HA 0.609 4.754 4.120 0.041 0.000 0.304 665 V C -0.710 175.395 176.094 0.017 0.000 1.042 665 V CA -0.242 62.085 62.300 0.045 0.000 0.877 665 V CB 1.601 33.469 31.823 0.075 0.000 0.996 665 V HN 0.697 nan 8.190 nan 0.000 0.425 666 I N 4.282 124.870 120.570 0.030 0.000 2.466 666 I HA 0.548 4.742 4.170 0.041 0.000 0.289 666 I C -0.874 175.275 176.117 0.053 0.000 1.026 666 I CA -0.931 60.414 61.300 0.075 0.000 1.078 666 I CB 2.261 40.337 38.000 0.125 0.000 1.249 666 I HN 0.278 nan 8.210 nan 0.000 0.429 667 V N 7.386 127.346 119.914 0.077 0.000 2.357 667 V HA 0.388 4.532 4.120 0.041 0.000 0.284 667 V C -2.111 174.043 176.094 0.099 0.000 1.018 667 V CA -1.653 60.683 62.300 0.061 0.000 0.841 667 V CB 1.220 33.064 31.823 0.035 0.000 0.991 667 V HN 0.552 nan 8.190 nan 0.000 0.437 668 P HA 0.383 nan 4.420 nan 0.000 0.276 668 P C -0.245 177.070 177.300 0.025 0.000 1.261 668 P CA -0.190 62.919 63.100 0.016 0.000 0.800 668 P CB 1.118 32.820 31.700 0.004 0.000 1.066 669 A N 0.098 122.908 122.820 -0.017 0.000 2.259 669 A HA 0.727 5.071 4.320 0.041 0.000 0.278 669 A C 0.715 178.300 177.584 0.002 0.000 1.107 669 A CA 0.487 52.522 52.037 -0.004 0.000 0.828 669 A CB -0.515 18.466 19.000 -0.032 0.000 1.111 669 A HN 0.838 nan 8.150 nan 0.000 0.498 670 G N -0.508 108.294 108.800 0.004 0.000 2.366 670 G HA2 0.091 4.076 3.960 0.041 0.000 0.190 670 G HA3 0.091 4.076 3.960 0.041 0.000 0.190 670 G C -0.676 174.231 174.900 0.012 0.000 1.299 670 G CA -0.099 45.004 45.100 0.004 0.000 1.056 670 G HN 1.012 nan 8.290 nan 0.000 0.468 671 N N 1.938 120.651 118.700 0.021 0.000 2.671 671 N HA 0.191 4.955 4.740 0.041 0.000 0.274 671 N C 1.757 177.298 175.510 0.052 0.000 1.188 671 N CA -0.361 52.706 53.050 0.028 0.000 1.065 671 N CB -0.245 38.261 38.487 0.031 0.000 1.415 671 N HN 0.394 nan 8.380 nan 0.000 0.511 672 I N 1.005 121.594 120.570 0.030 0.000 2.394 672 I HA -0.185 4.010 4.170 0.041 0.000 0.251 672 I C 2.038 178.158 176.117 0.004 0.000 1.136 672 I CA 0.610 61.926 61.300 0.028 0.000 1.425 672 I CB -1.493 36.478 38.000 -0.047 0.000 1.079 672 I HN 0.453 nan 8.210 nan 0.000 0.425 673 A N 0.803 123.617 122.820 -0.010 0.000 2.024 673 A HA -0.288 4.057 4.320 0.041 0.000 0.220 673 A C 2.068 179.673 177.584 0.035 0.000 1.164 673 A CA 2.127 54.158 52.037 -0.010 0.000 0.643 673 A CB -0.773 18.222 19.000 -0.009 0.000 0.806 673 A HN 0.425 nan 8.150 nan 0.000 0.451 674 D N 0.056 120.502 120.400 0.076 0.000 2.182 674 D HA -0.138 4.527 4.640 0.041 0.000 0.201 674 D C 1.509 177.899 176.300 0.150 0.000 0.986 674 D CA 1.739 55.812 54.000 0.122 0.000 0.847 674 D CB -0.162 40.743 40.800 0.175 0.000 0.942 674 D HN 0.666 nan 8.370 nan 0.000 0.467 675 I N -4.448 116.227 120.570 0.175 0.000 4.403 675 I HA 0.478 4.673 4.170 0.041 0.000 0.331 675 I C 1.911 178.171 176.117 0.240 0.000 1.327 675 I CA -0.074 61.363 61.300 0.228 0.000 1.175 675 I CB 0.023 38.210 38.000 0.312 0.000 1.165 675 I HN -0.113 nan 8.210 nan 0.000 0.413 676 A N 1.593 124.480 122.820 0.111 0.000 1.997 676 A HA -0.195 4.150 4.320 0.041 0.000 0.221 676 A C 1.342 178.939 177.584 0.022 0.000 1.172 676 A CA 2.285 54.277 52.037 -0.075 0.000 0.645 676 A CB -0.513 18.381 19.000 -0.177 0.000 0.813 676 A HN 0.570 nan 8.150 nan 0.000 0.454 677 D N -1.169 119.264 120.400 0.054 0.000 2.571 677 D HA 0.072 4.737 4.640 0.041 0.000 0.239 677 D C -0.329 176.010 176.300 0.064 0.000 1.267 677 D CA -0.270 53.758 54.000 0.047 0.000 0.823 677 D CB -0.207 40.605 40.800 0.020 0.000 1.056 677 D HN 0.313 nan 8.370 nan 0.000 0.494 678 N N 1.027 119.783 118.700 0.093 0.000 2.408 678 N HA 0.076 4.841 4.740 0.041 0.000 0.257 678 N C 1.442 176.990 175.510 0.064 0.000 1.064 678 N CA -0.019 53.080 53.050 0.081 0.000 0.952 678 N CB 1.514 40.068 38.487 0.111 0.000 1.093 678 N HN 0.042 nan 8.380 nan 0.000 0.490 679 G N 3.386 112.221 108.800 0.059 0.000 2.505 679 G HA2 -0.295 3.690 3.960 0.041 0.000 0.220 679 G HA3 -0.295 3.690 3.960 0.041 0.000 0.220 679 G C 0.955 175.901 174.900 0.076 0.000 1.145 679 G CA 0.715 45.850 45.100 0.058 0.000 0.761 679 G HN 0.596 nan 8.290 nan 0.000 0.571 680 D N 0.603 121.052 120.400 0.083 0.000 2.144 680 D HA 0.058 4.723 4.640 0.041 0.000 0.200 680 D C 2.804 179.086 176.300 -0.030 0.000 0.978 680 D CA 1.132 55.210 54.000 0.129 0.000 0.833 680 D CB -0.403 40.548 40.800 0.252 0.000 0.961 680 D HN 0.312 nan 8.370 nan 0.000 0.470 681 A N 0.898 123.532 122.820 -0.311 0.000 1.873 681 A HA -0.158 4.186 4.320 0.041 0.000 0.215 681 A C 2.017 179.351 177.584 -0.417 0.000 1.186 681 A CA 1.131 52.723 52.037 -0.742 0.000 0.616 681 A CB -0.452 18.125 19.000 -0.704 0.000 0.823 681 A HN 0.144 nan 8.150 nan 0.000 0.442 682 N N -1.444 117.165 118.700 -0.151 0.000 2.120 682 N HA -0.190 4.575 4.740 0.041 0.000 0.188 682 N C 1.705 177.181 175.510 -0.057 0.000 1.024 682 N CA 1.796 54.808 53.050 -0.063 0.000 0.852 682 N CB -0.447 38.093 38.487 0.087 0.000 1.003 682 N HN 0.680 nan 8.380 nan 0.000 0.424 683 Y N 0.597 120.847 120.300 -0.084 0.000 2.224 683 Y HA -0.277 4.297 4.550 0.041 0.000 0.289 683 Y C 2.404 178.249 175.900 -0.093 0.000 1.146 683 Y CA 1.239 59.294 58.100 -0.075 0.000 1.182 683 Y CB -0.336 38.092 38.460 -0.054 0.000 0.983 683 Y HN 0.026 nan 8.280 nan 0.000 0.524 684 Y N 0.434 120.591 120.300 -0.238 0.000 2.081 684 Y HA -0.346 4.229 4.550 0.042 0.000 0.280 684 Y C 2.125 177.817 175.900 -0.347 0.000 1.163 684 Y CA 2.226 60.158 58.100 -0.280 0.000 1.135 684 Y CB -0.585 37.706 38.460 -0.281 0.000 0.970 684 Y HN 0.121 nan 8.280 nan 0.000 0.498 685 L N -1.119 120.020 121.223 -0.140 0.000 2.056 685 L HA -0.267 4.097 4.340 0.041 0.000 0.207 685 L C 2.467 179.208 176.870 -0.214 0.000 1.078 685 L CA 1.470 56.206 54.840 -0.173 0.000 0.749 685 L CB -0.549 41.357 42.059 -0.255 0.000 0.901 685 L HN 0.291 nan 8.230 nan 0.000 0.433 686 M N -0.561 118.858 119.600 -0.301 0.000 2.108 686 M HA -0.245 4.260 4.480 0.041 0.000 0.261 686 M C 2.274 178.316 176.300 -0.429 0.000 1.066 686 M CA 1.807 56.920 55.300 -0.311 0.000 1.107 686 M CB -0.406 32.008 32.600 -0.310 0.000 1.356 686 M HN 0.245 nan 8.290 nan 0.000 0.406 687 E N 0.561 120.319 120.200 -0.737 0.000 2.046 687 E HA -0.159 4.216 4.350 0.041 0.000 0.190 687 E C 2.021 178.254 176.600 -0.611 0.000 0.982 687 E CA 1.157 57.074 56.400 -0.804 0.000 0.800 687 E CB 0.011 29.167 29.700 -0.906 0.000 0.756 687 E HN 0.452 nan 8.360 nan 0.000 0.449 688 A N 0.471 123.055 122.820 -0.393 0.000 1.908 688 A HA -0.225 4.120 4.320 0.041 0.000 0.218 688 A C 2.055 179.529 177.584 -0.183 0.000 1.181 688 A CA 1.594 53.493 52.037 -0.230 0.000 0.627 688 A CB -0.969 17.959 19.000 -0.119 0.000 0.818 688 A HN 0.567 nan 8.150 nan 0.000 0.445 689 Y N 0.434 120.568 120.300 -0.277 0.000 2.114 689 Y HA -0.200 4.375 4.550 0.042 0.000 0.284 689 Y C 2.416 178.184 175.900 -0.220 0.000 1.143 689 Y CA 2.309 60.278 58.100 -0.218 0.000 1.135 689 Y CB -0.323 38.022 38.460 -0.192 0.000 0.980 689 Y HN 0.306 nan 8.280 nan 0.000 0.499 690 K N -0.605 119.668 120.400 -0.211 0.000 2.113 690 K HA -0.240 4.105 4.320 0.041 0.000 0.208 690 K C 1.141 177.608 176.600 -0.221 0.000 1.047 690 K CA 2.110 58.242 56.287 -0.258 0.000 0.928 690 K CB -0.443 31.850 32.500 -0.344 0.000 0.716 690 K HN 0.597 nan 8.250 nan 0.000 0.446 691 H N 0.186 119.137 119.070 -0.199 0.000 2.536 691 H HA 0.175 4.756 4.556 0.042 0.000 0.276 691 H C 0.010 175.181 175.328 -0.263 0.000 1.019 691 H CA 0.149 56.078 56.048 -0.199 0.000 1.159 691 H CB 0.086 29.729 29.762 -0.198 0.000 1.373 691 H HN 0.125 nan 8.280 nan 0.000 0.584 692 L N -0.188 120.887 121.223 -0.247 0.000 4.089 692 L HA -0.275 4.089 4.340 0.041 0.000 0.408 692 L C -0.322 176.296 176.870 -0.420 0.000 1.184 692 L CA 0.561 55.170 54.840 -0.384 0.000 0.947 692 L CB -1.775 40.051 42.059 -0.387 0.000 2.066 692 L HN 0.302 nan 8.230 nan 0.000 0.851 693 K N 0.866 121.082 120.400 -0.306 0.000 2.144 693 K HA 0.451 4.796 4.320 0.041 0.000 0.270 693 K C -2.116 174.348 176.600 -0.226 0.000 1.005 693 K CA -1.791 54.333 56.287 -0.272 0.000 0.932 693 K CB 0.547 32.941 32.500 -0.178 0.000 1.021 693 K HN -0.207 nan 8.250 nan 0.000 0.462 694 P HA 0.012 nan 4.420 nan 0.000 0.264 694 P C -0.756 176.481 177.300 -0.106 0.000 1.193 694 P CA 0.497 63.497 63.100 -0.166 0.000 0.763 694 P CB 0.383 31.984 31.700 -0.165 0.000 0.810 695 I N 2.038 122.558 120.570 -0.083 0.000 2.465 695 I HA 0.626 4.821 4.170 0.041 0.000 0.291 695 I C -0.153 175.919 176.117 -0.075 0.000 1.014 695 I CA -0.881 60.389 61.300 -0.049 0.000 1.093 695 I CB 2.150 40.147 38.000 -0.006 0.000 1.267 695 I HN 0.270 nan 8.210 nan 0.000 0.431 696 A N 7.569 130.356 122.820 -0.054 0.000 2.356 696 A HA 0.903 5.248 4.320 0.041 0.000 0.310 696 A C -1.124 176.556 177.584 0.159 0.000 1.075 696 A CA -0.452 51.532 52.037 -0.088 0.000 0.746 696 A CB 1.161 19.971 19.000 -0.318 0.000 1.221 696 A HN 0.671 nan 8.150 nan 0.000 0.443 697 L N 1.925 123.300 121.223 0.254 0.000 2.376 697 L HA 0.740 5.105 4.340 0.041 0.000 0.275 697 L C 0.149 177.227 176.870 0.346 0.000 0.987 697 L CA -0.520 54.484 54.840 0.273 0.000 0.828 697 L CB 2.055 44.217 42.059 0.172 0.000 1.249 697 L HN 0.806 nan 8.230 nan 0.000 0.409 698 A N 2.071 125.001 122.820 0.184 0.000 2.350 698 A HA 0.866 5.211 4.320 0.041 0.000 0.324 698 A C 0.633 178.210 177.584 -0.012 0.000 1.118 698 A CA 0.212 52.235 52.037 -0.023 0.000 0.783 698 A CB 1.325 20.125 19.000 -0.333 0.000 1.236 698 A HN 0.969 nan 8.150 nan 0.000 0.457 699 G N 1.619 110.400 108.800 -0.031 0.000 2.685 699 G HA2 -0.373 3.611 3.960 0.041 0.000 0.329 699 G HA3 -0.373 3.611 3.960 0.041 0.000 0.329 699 G C 0.603 175.504 174.900 0.001 0.000 1.271 699 G CA 1.146 46.234 45.100 -0.019 0.000 1.003 699 G HN 0.735 nan 8.290 nan 0.000 0.549 700 D N 1.406 121.801 120.400 -0.008 0.000 2.371 700 D HA 0.299 4.963 4.640 0.041 0.000 0.221 700 D C 2.570 178.857 176.300 -0.021 0.000 0.986 700 D CA 1.381 55.367 54.000 -0.024 0.000 0.899 700 D CB -0.600 40.179 40.800 -0.035 0.000 0.902 700 D HN 0.715 nan 8.370 nan 0.000 0.530 701 A N 0.334 123.185 122.820 0.052 0.000 2.125 701 A HA -0.163 4.182 4.320 0.041 0.000 0.219 701 A C 2.022 179.700 177.584 0.157 0.000 1.156 701 A CA 0.775 52.913 52.037 0.168 0.000 0.671 701 A CB -0.345 18.785 19.000 0.217 0.000 0.794 701 A HN 0.143 nan 8.150 nan 0.000 0.459 702 R N -0.766 119.777 120.500 0.073 0.000 2.285 702 R HA -0.070 4.295 4.340 0.041 0.000 0.213 702 R C 1.493 177.793 176.300 0.000 0.000 1.068 702 R CA 0.944 57.076 56.100 0.055 0.000 1.004 702 R CB -0.098 30.225 30.300 0.039 0.000 0.873 702 R HN 0.206 nan 8.270 nan 0.000 0.467 703 K N 0.076 120.426 120.400 -0.083 0.000 2.211 703 K HA -0.119 4.226 4.320 0.041 0.000 0.204 703 K C 1.237 177.713 176.600 -0.207 0.000 1.047 703 K CA 1.386 57.558 56.287 -0.192 0.000 0.935 703 K CB -0.255 32.051 32.500 -0.324 0.000 0.728 703 K HN 0.198 nan 8.250 nan 0.000 0.452 704 F N 0.673 120.597 119.950 -0.043 0.000 2.558 704 F HA -0.054 4.498 4.527 0.042 0.000 0.298 704 F C 1.735 177.483 175.800 -0.086 0.000 1.119 704 F CA 0.529 58.490 58.000 -0.064 0.000 1.451 704 F CB 0.031 38.992 39.000 -0.065 0.000 1.091 704 F HN -0.045 nan 8.300 nan 0.000 0.563 705 K N 0.427 120.874 120.400 0.078 0.000 2.160 705 K HA -0.231 4.114 4.320 0.041 0.000 0.206 705 K C 2.269 178.841 176.600 -0.047 0.000 1.047 705 K CA 1.159 57.440 56.287 -0.009 0.000 0.930 705 K CB -0.386 32.107 32.500 -0.012 0.000 0.720 705 K HN 0.267 nan 8.250 nan 0.000 0.450 706 A N 0.745 123.547 122.820 -0.029 0.000 1.933 706 A HA -0.154 4.191 4.320 0.041 0.000 0.218 706 A C 2.095 179.654 177.584 -0.042 0.000 1.175 706 A CA 1.990 54.003 52.037 -0.041 0.000 0.628 706 A CB -0.730 18.244 19.000 -0.043 0.000 0.814 706 A HN 0.279 nan 8.150 nan 0.000 0.444 707 T N 0.361 114.906 114.554 -0.015 0.000 3.023 707 T HA 0.039 4.414 4.350 0.041 0.000 0.266 707 T C 1.405 176.035 174.700 -0.116 0.000 1.093 707 T CA 1.257 63.343 62.100 -0.024 0.000 1.129 707 T CB -0.380 68.517 68.868 0.048 0.000 0.899 707 T HN 0.733 nan 8.240 nan 0.000 0.491 708 I N -2.392 118.051 120.570 -0.212 0.000 3.914 708 I HA 0.403 4.598 4.170 0.041 0.000 0.333 708 I C -0.458 175.408 176.117 -0.418 0.000 1.449 708 I CA -0.585 60.440 61.300 -0.458 0.000 1.135 708 I CB 0.003 37.519 38.000 -0.807 0.000 1.073 708 I HN -0.192 nan 8.210 nan 0.000 0.401 709 K N 2.019 122.295 120.400 -0.206 0.000 3.148 709 K HA -0.122 4.223 4.320 0.041 0.000 0.267 709 K C -0.317 176.217 176.600 -0.111 0.000 0.996 709 K CA 0.550 56.763 56.287 -0.123 0.000 0.737 709 K CB -1.692 30.760 32.500 -0.081 0.000 1.308 709 K HN 0.455 nan 8.250 nan 0.000 0.470 710 I N 0.547 121.046 120.570 -0.118 0.000 2.325 710 I HA 0.219 4.414 4.170 0.041 0.000 0.291 710 I C 1.357 177.454 176.117 -0.034 0.000 1.019 710 I CA -1.064 60.194 61.300 -0.069 0.000 1.302 710 I CB 0.707 38.663 38.000 -0.073 0.000 1.401 710 I HN 0.244 nan 8.210 nan 0.000 0.485 711 A N 5.315 128.126 122.820 -0.015 0.000 2.520 711 A HA 0.033 4.378 4.320 0.041 0.000 0.235 711 A C 1.204 178.783 177.584 -0.007 0.000 1.065 711 A CA -0.139 51.893 52.037 -0.009 0.000 0.764 711 A CB 0.080 19.079 19.000 -0.001 0.000 1.002 711 A HN 0.759 nan 8.150 nan 0.000 0.502 712 D N 0.905 121.301 120.400 -0.007 0.000 2.149 712 D HA -0.228 4.437 4.640 0.041 0.000 0.194 712 D C 1.918 178.218 176.300 -0.000 0.000 1.001 712 D CA 2.305 56.302 54.000 -0.005 0.000 0.849 712 D CB -0.228 40.569 40.800 -0.005 0.000 0.939 712 D HN 0.845 nan 8.370 nan 0.000 0.449 713 Q N 0.264 120.064 119.800 0.001 0.000 2.541 713 Q HA 0.236 4.600 4.340 0.041 0.000 0.215 713 Q C 1.153 177.156 176.000 0.004 0.000 0.977 713 Q CA 0.708 56.513 55.803 0.003 0.000 0.934 713 Q CB -0.095 28.645 28.738 0.003 0.000 0.988 713 Q HN 0.184 nan 8.270 nan 0.000 0.521 714 G N 0.690 109.493 108.800 0.004 0.000 2.728 714 G HA2 -0.245 3.740 3.960 0.041 0.000 0.294 714 G HA3 -0.245 3.740 3.960 0.041 0.000 0.294 714 G C -1.161 173.743 174.900 0.007 0.000 1.342 714 G CA -0.248 44.855 45.100 0.005 0.000 0.866 714 G HN 0.378 nan 8.290 nan 0.000 0.534 715 E N -0.594 119.611 120.200 0.007 0.000 2.388 715 E HA 0.354 4.729 4.350 0.041 0.000 0.289 715 E C -0.540 176.057 176.600 -0.004 0.000 0.944 715 E CA -0.754 55.653 56.400 0.013 0.000 0.792 715 E CB 0.937 30.662 29.700 0.042 0.000 1.239 715 E HN 0.474 nan 8.360 nan 0.000 0.412 716 E N 1.716 121.906 120.200 -0.017 0.000 2.558 716 E HA 0.114 4.489 4.350 0.041 0.000 0.255 716 E C 0.827 177.388 176.600 -0.065 0.000 0.968 716 E CA 1.759 58.134 56.400 -0.041 0.000 0.939 716 E CB 0.950 30.625 29.700 -0.041 0.000 0.921 716 E HN 0.893 nan 8.360 nan 0.000 0.477 717 G N 3.062 111.808 108.800 -0.089 0.000 2.213 717 G HA2 -0.215 3.770 3.960 0.041 0.000 0.236 717 G HA3 -0.215 3.770 3.960 0.041 0.000 0.236 717 G C 0.225 175.073 174.900 -0.087 0.000 0.991 717 G CA -0.185 44.842 45.100 -0.121 0.000 0.629 717 G HN 0.426 nan 8.290 nan 0.000 0.517 718 I N 1.662 122.203 120.570 -0.048 0.000 2.378 718 I HA 0.565 4.760 4.170 0.041 0.000 0.291 718 I C 0.165 176.238 176.117 -0.073 0.000 0.992 718 I CA -1.060 60.218 61.300 -0.037 0.000 1.154 718 I CB 1.458 39.467 38.000 0.015 0.000 1.315 718 I HN -0.114 nan 8.210 nan 0.000 0.448 719 V N 6.937 126.773 119.914 -0.129 0.000 2.417 719 V HA 0.467 4.612 4.120 0.041 0.000 0.291 719 V C -0.039 175.978 176.094 -0.128 0.000 1.024 719 V CA -0.501 61.668 62.300 -0.218 0.000 0.861 719 V CB 1.741 33.277 31.823 -0.478 0.000 0.985 719 V HN 0.888 nan 8.190 nan 0.000 0.436 720 E N 4.324 124.526 120.200 0.003 0.000 2.343 720 E HA 0.891 5.266 4.350 0.041 0.000 0.278 720 E C -1.102 175.633 176.600 0.225 0.000 0.910 720 E CA -1.012 55.489 56.400 0.168 0.000 0.757 720 E CB 2.697 32.455 29.700 0.096 0.000 1.218 720 E HN 0.813 nan 8.360 nan 0.000 0.435 721 A N 2.023 125.011 122.820 0.281 0.000 2.597 721 A HA 0.344 4.688 4.320 0.041 0.000 0.292 721 A C -0.463 177.162 177.584 0.069 0.000 1.057 721 A CA -0.602 51.547 52.037 0.186 0.000 0.674 721 A CB 1.365 20.533 19.000 0.281 0.000 1.278 721 A HN 0.602 nan 8.150 nan 0.000 0.416 722 D N 0.583 120.998 120.400 0.024 0.000 2.172 722 D HA -0.034 4.631 4.640 0.041 0.000 0.196 722 D C 1.173 177.432 176.300 -0.069 0.000 0.999 722 D CA 2.689 56.680 54.000 -0.015 0.000 0.856 722 D CB 0.090 40.883 40.800 -0.012 0.000 0.934 722 D HN 0.908 nan 8.370 nan 0.000 0.453 723 S N -2.521 113.106 115.700 -0.122 0.000 2.656 723 S HA 0.645 5.140 4.470 0.041 0.000 0.273 723 S C 0.121 174.443 174.600 -0.462 0.000 1.168 723 S CA -0.321 57.740 58.200 -0.232 0.000 0.817 723 S CB 1.553 64.665 63.200 -0.146 0.000 1.146 723 S HN -0.043 nan 8.310 nan 0.000 0.475 724 A N 0.928 123.393 122.820 -0.592 0.000 2.265 724 A HA 0.269 4.613 4.320 0.041 0.000 0.213 724 A C 0.693 178.130 177.584 -0.245 0.000 1.255 724 A CA 0.635 52.200 52.037 -0.787 0.000 0.862 724 A CB -2.047 16.604 19.000 -0.582 0.000 0.852 724 A HN 1.055 nan 8.150 nan 0.000 0.484 725 D N -0.993 119.330 120.400 -0.129 0.000 2.023 725 D HA -0.009 4.655 4.640 0.041 0.000 0.225 725 D C 1.320 177.657 176.300 0.062 0.000 1.427 725 D CA 0.997 54.990 54.000 -0.012 0.000 0.907 725 D CB -0.277 40.529 40.800 0.010 0.000 1.503 725 D HN 0.032 nan 8.370 nan 0.000 0.585 726 G N -1.581 107.253 108.800 0.057 0.000 2.394 726 G HA2 -0.222 3.763 3.960 0.041 0.000 0.214 726 G HA3 -0.222 3.763 3.960 0.041 0.000 0.214 726 G C 1.627 176.578 174.900 0.086 0.000 1.176 726 G CA 1.030 46.169 45.100 0.065 0.000 0.786 726 G HN 0.602 nan 8.290 nan 0.000 0.533 727 S N 0.037 115.788 115.700 0.084 0.000 2.370 727 S HA -0.178 4.317 4.470 0.041 0.000 0.226 727 S C 2.120 176.785 174.600 0.108 0.000 1.033 727 S CA 1.604 59.850 58.200 0.076 0.000 1.011 727 S CB -0.494 62.743 63.200 0.062 0.000 0.852 727 S HN 0.348 nan 8.310 nan 0.000 0.457 728 F N 1.897 121.845 119.950 -0.004 0.000 2.063 728 F HA -0.158 4.394 4.527 0.041 0.000 0.298 728 F C 2.220 178.016 175.800 -0.006 0.000 1.109 728 F CA 2.183 60.181 58.000 -0.004 0.000 1.212 728 F CB -0.309 38.690 39.000 -0.002 0.000 0.973 728 F HN 0.231 nan 8.300 nan 0.000 0.480 729 M N -0.055 119.699 119.600 0.257 0.000 2.200 729 M HA -0.135 4.370 4.480 0.041 0.000 0.265 729 M C 1.802 178.111 176.300 0.014 0.000 1.066 729 M CA 1.222 56.599 55.300 0.128 0.000 1.127 729 M CB -1.359 31.338 32.600 0.161 0.000 1.379 729 M HN 0.114 nan 8.290 nan 0.000 0.420 730 D N 0.683 121.096 120.400 0.022 0.000 2.149 730 D HA -0.158 4.507 4.640 0.041 0.000 0.198 730 D C 1.958 178.234 176.300 -0.040 0.000 0.990 730 D CA 1.212 55.209 54.000 -0.005 0.000 0.839 730 D CB -0.087 40.717 40.800 0.006 0.000 0.948 730 D HN 0.481 nan 8.370 nan 0.000 0.460 731 E N 0.192 120.351 120.200 -0.069 0.000 2.072 731 E HA -0.107 4.268 4.350 0.041 0.000 0.191 731 E C 2.114 178.629 176.600 -0.141 0.000 0.985 731 E CA 0.128 56.466 56.400 -0.104 0.000 0.801 731 E CB -0.018 29.603 29.700 -0.132 0.000 0.750 731 E HN 0.143 nan 8.360 nan 0.000 0.452 732 L N 1.121 122.227 121.223 -0.195 0.000 1.994 732 L HA -0.182 4.182 4.340 0.041 0.000 0.208 732 L C 2.200 179.005 176.870 -0.109 0.000 1.071 732 L CA 1.658 56.384 54.840 -0.190 0.000 0.745 732 L CB -0.608 41.313 42.059 -0.231 0.000 0.892 732 L HN 0.239 nan 8.230 nan 0.000 0.431 733 L N -0.490 120.690 121.223 -0.072 0.000 2.127 733 L HA -0.228 4.137 4.340 0.041 0.000 0.211 733 L C 2.454 179.299 176.870 -0.042 0.000 1.089 733 L CA 1.612 56.425 54.840 -0.044 0.000 0.757 733 L CB -0.789 41.255 42.059 -0.024 0.000 0.899 733 L HN 0.285 nan 8.230 nan 0.000 0.434 734 T N 0.110 114.635 114.554 -0.049 0.000 2.746 734 T HA -0.158 4.217 4.350 0.041 0.000 0.267 734 T C 1.961 176.627 174.700 -0.056 0.000 1.039 734 T CA 1.186 63.262 62.100 -0.041 0.000 1.142 734 T CB -0.239 68.606 68.868 -0.038 0.000 0.866 734 T HN 0.195 nan 8.240 nan 0.000 0.444 735 L N 0.312 121.482 121.223 -0.087 0.000 2.012 735 L HA -0.123 4.242 4.340 0.041 0.000 0.210 735 L C 2.723 179.525 176.870 -0.114 0.000 1.073 735 L CA 1.476 56.243 54.840 -0.122 0.000 0.748 735 L CB -0.561 41.406 42.059 -0.153 0.000 0.891 735 L HN 0.312 nan 8.230 nan 0.000 0.431 736 M N -0.853 118.697 119.600 -0.083 0.000 2.279 736 M HA -0.157 4.347 4.480 0.041 0.000 0.264 736 M C 2.366 178.666 176.300 0.000 0.000 1.062 736 M CA 1.571 56.842 55.300 -0.049 0.000 1.099 736 M CB -0.431 32.150 32.600 -0.032 0.000 1.394 736 M HN 0.315 nan 8.290 nan 0.000 0.426 737 A N 0.085 122.905 122.820 0.001 0.000 2.067 737 A HA 0.106 4.451 4.320 0.041 0.000 0.219 737 A C 2.115 179.739 177.584 0.066 0.000 1.158 737 A CA 1.583 53.642 52.037 0.035 0.000 0.661 737 A CB -0.526 18.489 19.000 0.025 0.000 0.801 737 A HN 0.487 nan 8.150 nan 0.000 0.452 738 A N -2.804 120.032 122.820 0.028 0.000 2.308 738 A HA 0.390 4.735 4.320 0.041 0.000 0.217 738 A C 0.884 178.482 177.584 0.023 0.000 1.216 738 A CA 1.181 53.244 52.037 0.043 0.000 0.864 738 A CB -0.348 18.634 19.000 -0.030 0.000 0.902 738 A HN 0.919 nan 8.150 nan 0.000 0.499 739 H N -1.259 117.740 119.070 -0.119 0.000 4.806 739 H HA -0.170 4.411 4.556 0.041 0.000 0.061 739 H C 0.026 175.125 175.328 -0.382 0.000 0.604 739 H CA 2.296 58.256 56.048 -0.146 0.000 0.938 739 H CB -0.629 29.149 29.762 0.028 0.000 0.431 739 H HN 0.449 nan 8.280 nan 0.000 0.803 740 R N -0.251 119.642 120.500 -1.011 0.000 2.836 740 R HA 0.628 4.993 4.340 0.041 0.000 0.269 740 R C -0.705 174.735 176.300 -1.432 0.000 1.010 740 R CA -0.303 54.987 56.100 -1.350 0.000 0.930 740 R CB 1.784 30.979 30.300 -1.841 0.000 1.218 740 R HN 0.074 nan 8.270 nan 0.000 0.473 741 V N 2.136 121.439 119.914 -1.018 0.000 2.221 741 V HA 0.124 4.269 4.120 0.041 0.000 0.258 741 V C 0.639 176.359 176.094 -0.623 0.000 1.179 741 V CA -0.456 61.420 62.300 -0.707 0.000 1.022 741 V CB -0.193 31.363 31.823 -0.445 0.000 1.228 741 V HN 0.724 nan 8.190 nan 0.000 0.487 742 W N 1.612 122.629 121.300 -0.470 0.000 2.425 742 W HA -0.150 4.535 4.660 0.041 0.000 0.277 742 W C 2.484 178.793 176.519 -0.350 0.000 1.231 742 W CA 0.781 57.756 57.345 -0.616 0.000 1.248 742 W CB -0.324 28.362 29.460 -1.290 0.000 1.117 742 W HN 0.650 nan 8.180 nan 0.000 0.568 743 S N 0.671 116.326 115.700 -0.075 0.000 2.507 743 S HA -0.145 4.350 4.470 0.041 0.000 0.235 743 S C 1.677 176.240 174.600 -0.061 0.000 0.988 743 S CA 0.840 59.017 58.200 -0.038 0.000 0.944 743 S CB -0.430 62.747 63.200 -0.038 0.000 0.762 743 S HN 0.400 nan 8.310 nan 0.000 0.526 744 R N 0.782 121.203 120.500 -0.132 0.000 2.235 744 R HA 0.194 4.559 4.340 0.041 0.000 0.213 744 R C 1.809 178.040 176.300 -0.115 0.000 1.059 744 R CA 0.586 56.584 56.100 -0.171 0.000 0.997 744 R CB -0.411 29.674 30.300 -0.358 0.000 0.884 744 R HN 0.475 nan 8.270 nan 0.000 0.462 745 I N 1.417 121.961 120.570 -0.042 0.000 2.151 745 I HA -0.217 3.977 4.170 0.041 0.000 0.243 745 I C -0.831 175.308 176.117 0.037 0.000 1.080 745 I CA 1.295 62.610 61.300 0.024 0.000 1.339 745 I CB -0.770 37.296 38.000 0.110 0.000 1.039 745 I HN 0.145 nan 8.210 nan 0.000 0.409 746 P HA -0.137 nan 4.420 nan 0.000 0.228 746 P C 1.074 178.402 177.300 0.046 0.000 1.151 746 P CA 1.269 64.398 63.100 0.048 0.000 0.770 746 P CB -0.027 31.700 31.700 0.044 0.000 0.786 747 K N -0.425 119.996 120.400 0.036 0.000 2.314 747 K HA 0.086 4.431 4.320 0.041 0.000 0.198 747 K C 1.924 178.584 176.600 0.100 0.000 1.045 747 K CA 0.623 56.955 56.287 0.075 0.000 0.988 747 K CB -0.272 32.298 32.500 0.116 0.000 0.783 747 K HN 0.286 nan 8.250 nan 0.000 0.484 748 I N -1.271 119.326 120.570 0.045 0.000 2.676 748 I HA -0.116 4.079 4.170 0.041 0.000 0.259 748 I C 1.094 177.254 176.117 0.072 0.000 1.194 748 I CA 1.130 62.462 61.300 0.054 0.000 1.473 748 I CB -0.147 37.837 38.000 -0.026 0.000 1.096 748 I HN -0.106 nan 8.210 nan 0.000 0.443 749 D N 2.429 122.872 120.400 0.070 0.000 2.190 749 D HA -0.175 4.489 4.640 0.041 0.000 0.200 749 D C 1.964 178.303 176.300 0.066 0.000 0.992 749 D CA 1.493 55.536 54.000 0.071 0.000 0.854 749 D CB 0.025 40.866 40.800 0.069 0.000 0.936 749 D HN 0.438 nan 8.370 nan 0.000 0.462 750 K N 0.078 120.517 120.400 0.066 0.000 2.262 750 K HA 0.168 4.513 4.320 0.041 0.000 0.200 750 K C 1.023 177.654 176.600 0.053 0.000 1.049 750 K CA -0.137 56.183 56.287 0.055 0.000 0.979 750 K CB 0.503 33.034 32.500 0.051 0.000 0.773 750 K HN 0.154 nan 8.250 nan 0.000 0.474 751 I N 3.700 124.310 120.570 0.066 0.000 2.533 751 I HA 0.080 4.275 4.170 0.041 0.000 0.284 751 I C -2.209 173.937 176.117 0.048 0.000 1.109 751 I CA -2.171 59.162 61.300 0.054 0.000 1.412 751 I CB 0.846 38.897 38.000 0.084 0.000 1.396 751 I HN 0.013 nan 8.210 nan 0.000 0.543 752 P HA 0.364 nan 4.420 nan 0.000 0.262 752 P C -1.052 176.304 177.300 0.094 0.000 1.620 752 P CA -0.122 63.014 63.100 0.060 0.000 1.089 752 P CB 0.679 32.410 31.700 0.052 0.000 1.601 753 A N 0.000 122.877 122.820 0.094 0.000 2.254 753 A HA 0.000 4.345 4.320 0.041 0.000 0.244 753 A CA 0.000 52.139 52.037 0.171 0.000 0.836 753 A CB 0.000 18.958 19.000 -0.071 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486