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 1ojd_1_L DATA FIRST_RESID 4 DATA SEQUENCE KCDVVVVGGG ISGMAAAKLL HDSGLNVVVL EARDRVGGRT YTLRNQKVKY DATA SEQUENCE VDLGGSYVGP TQNRILRLAK ELGLETYKVN EVERLIHHVK GKSYPFRGPF DATA SEQUENCE PPVWNPITYL DHNNFWRTMD DMGREIPSDA PWKAPLAEEW DNMTMKELLD DATA SEQUENCE KLCWTESAKQ LATLFVNLCV TAETHEVSAL WFLWYVKQCG GTTRIISTTN DATA SEQUENCE GGQERKFVGG SGQVSERIMD LLGDRVKLER PVIYIDQTRE NVLVETLNHE DATA SEQUENCE MYEAKYVISA IPPTLGMKIH FNPPLPMMRN QMITRVPLGS VIKCIVYYKE DATA SEQUENCE PFWRKKDYCG TMIIDGEEAP VAYTLDDTKP EGNYAAIMGF ILAHKARKLA DATA SEQUENCE RLTKEERLKK LCELYAKVLG SLEALEPVHY EEKNWCEEQY SGGCYTTYFP DATA SEQUENCE PGILTQYGRV LRQPVDRIYF AGTETATHWS GYMEGAVEAG ERAAREILHA DATA SEQUENCE MGKIPEDEIW QSEPESVDVP AQPITTTFLE RHLPSVPGLL RLIGLTT 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 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.647 176.600 0.078 0.000 0.988 4 K CA 0.000 56.324 56.287 0.062 0.000 0.838 4 K CB 0.000 32.524 32.500 0.040 0.000 1.064 5 C N 0.320 119.667 119.300 0.077 0.000 2.871 5 C HA 0.307 4.767 4.460 -0.000 0.000 0.378 5 C C 1.178 176.213 174.990 0.076 0.000 1.052 5 C CA -1.027 58.043 59.018 0.087 0.000 1.250 5 C CB 1.209 29.023 27.740 0.124 0.000 1.689 5 C HN 0.720 nan 8.230 nan 0.000 0.506 6 D N 0.628 121.073 120.400 0.075 0.000 2.110 6 D HA 0.024 4.663 4.640 -0.000 0.000 0.202 6 D C 0.419 176.797 176.300 0.131 0.000 0.975 6 D CA 1.618 55.674 54.000 0.093 0.000 0.839 6 D CB 0.512 41.362 40.800 0.084 0.000 0.996 6 D HN 0.420 nan 8.370 nan 0.000 0.464 7 V N 1.514 121.492 119.914 0.106 0.000 2.540 7 V HA 0.279 4.399 4.120 -0.000 0.000 0.302 7 V C -0.051 176.085 176.094 0.070 0.000 1.035 7 V CA -0.724 61.641 62.300 0.108 0.000 0.873 7 V CB 2.686 34.548 31.823 0.064 0.000 0.992 7 V HN -0.217 nan 8.190 nan 0.000 0.428 8 V N 5.362 125.314 119.914 0.064 0.000 2.370 8 V HA 0.386 4.506 4.120 -0.000 0.000 0.283 8 V C -0.129 175.968 176.094 0.005 0.000 1.023 8 V CA -0.449 61.862 62.300 0.018 0.000 0.857 8 V CB 1.926 33.755 31.823 0.010 0.000 0.985 8 V HN 0.631 nan 8.190 nan 0.000 0.443 9 V N 6.659 126.562 119.914 -0.019 0.000 2.364 9 V HA 0.327 4.447 4.120 -0.000 0.000 0.272 9 V C 0.066 176.141 176.094 -0.031 0.000 1.036 9 V CA -0.462 61.831 62.300 -0.012 0.000 0.880 9 V CB 1.705 33.522 31.823 -0.009 0.000 0.991 9 V HN 0.600 nan 8.190 nan 0.000 0.460 10 V N 4.326 124.236 119.914 -0.006 0.000 2.432 10 V HA 0.832 4.952 4.120 -0.000 0.000 0.275 10 V C 0.660 176.768 176.094 0.022 0.000 1.043 10 V CA 0.375 62.672 62.300 -0.006 0.000 0.925 10 V CB 0.794 32.632 31.823 0.024 0.000 0.985 10 V HN 1.240 nan 8.190 nan 0.000 0.466 11 G N 3.593 112.395 108.800 0.002 0.000 3.448 11 G HA2 0.123 4.083 3.960 -0.000 0.000 0.685 11 G HA3 0.123 4.083 3.960 -0.000 0.000 0.685 11 G C 0.244 175.151 174.900 0.011 0.000 1.151 11 G CA -0.440 44.675 45.100 0.025 0.000 1.023 11 G HN 1.254 nan 8.290 nan 0.000 0.499 12 G N 0.623 109.424 108.800 0.002 0.000 3.371 12 G HA2 0.600 4.560 3.960 -0.000 0.000 0.248 12 G HA3 0.600 4.560 3.960 -0.000 0.000 0.248 12 G C 1.046 175.958 174.900 0.020 0.000 1.161 12 G CA 1.008 46.106 45.100 -0.003 0.000 0.796 12 G HN 1.285 nan 8.290 nan 0.000 0.539 13 G N 0.092 108.918 108.800 0.043 0.000 2.508 13 G HA2 0.326 4.286 3.960 -0.000 0.000 0.278 13 G HA3 0.326 4.286 3.960 -0.000 0.000 0.278 13 G C 1.130 176.058 174.900 0.047 0.000 1.389 13 G CA -0.647 44.488 45.100 0.058 0.000 1.050 13 G HN 0.079 nan 8.290 nan 0.000 0.522 14 I N -0.659 119.943 120.570 0.054 0.000 2.226 14 I HA -0.194 3.976 4.170 -0.000 0.000 0.245 14 I C 3.058 179.202 176.117 0.046 0.000 1.100 14 I CA 1.538 62.863 61.300 0.042 0.000 1.374 14 I CB -0.164 37.865 38.000 0.049 0.000 1.057 14 I HN 0.467 nan 8.210 nan 0.000 0.413 15 S N 0.615 116.355 115.700 0.067 0.000 2.353 15 S HA -0.159 4.311 4.470 -0.000 0.000 0.222 15 S C 2.103 176.734 174.600 0.051 0.000 1.035 15 S CA 1.773 60.015 58.200 0.071 0.000 1.025 15 S CB -0.671 62.590 63.200 0.101 0.000 0.902 15 S HN 0.581 nan 8.310 nan 0.000 0.440 16 G N 1.768 110.597 108.800 0.049 0.000 2.446 16 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.217 16 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.217 16 G C 1.472 176.380 174.900 0.013 0.000 1.168 16 G CA 1.174 46.293 45.100 0.032 0.000 0.771 16 G HN 0.405 nan 8.290 nan 0.000 0.551 17 M N 1.281 120.886 119.600 0.009 0.000 2.067 17 M HA 0.037 4.517 4.480 -0.000 0.000 0.260 17 M C 3.110 179.406 176.300 -0.006 0.000 1.069 17 M CA 1.406 56.701 55.300 -0.008 0.000 1.117 17 M CB -1.609 30.983 32.600 -0.013 0.000 1.334 17 M HN 0.302 nan 8.290 nan 0.000 0.407 18 A N 0.512 123.334 122.820 0.003 0.000 1.971 18 A HA -0.152 4.168 4.320 -0.000 0.000 0.222 18 A C 2.453 180.038 177.584 0.002 0.000 1.182 18 A CA 2.801 54.840 52.037 0.004 0.000 0.649 18 A CB -0.999 18.011 19.000 0.017 0.000 0.818 18 A HN 0.548 nan 8.150 nan 0.000 0.458 19 A N -0.667 122.155 122.820 0.003 0.000 1.855 19 A HA 0.310 4.630 4.320 -0.000 0.000 0.213 19 A C 2.554 180.136 177.584 -0.004 0.000 1.195 19 A CA 1.811 53.845 52.037 -0.006 0.000 0.610 19 A CB -1.196 17.801 19.000 -0.004 0.000 0.837 19 A HN 1.194 nan 8.150 nan 0.000 0.444 20 A N 0.178 122.997 122.820 -0.001 0.000 1.927 20 A HA -0.276 4.044 4.320 -0.000 0.000 0.220 20 A C 2.145 179.744 177.584 0.025 0.000 1.185 20 A CA 2.390 54.430 52.037 0.004 0.000 0.639 20 A CB -0.558 18.433 19.000 -0.014 0.000 0.820 20 A HN 0.587 nan 8.150 nan 0.000 0.451 21 K N -0.808 119.597 120.400 0.010 0.000 2.026 21 K HA -0.113 4.207 4.320 -0.000 0.000 0.208 21 K C 1.963 178.600 176.600 0.062 0.000 1.048 21 K CA 1.522 57.827 56.287 0.031 0.000 0.929 21 K CB -0.322 32.178 32.500 0.000 0.000 0.713 21 K HN 0.351 nan 8.250 nan 0.000 0.439 22 L N 1.372 122.610 121.223 0.025 0.000 2.079 22 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 22 L C 1.976 178.851 176.870 0.008 0.000 1.081 22 L CA 1.409 56.255 54.840 0.010 0.000 0.752 22 L CB -0.132 41.918 42.059 -0.015 0.000 0.896 22 L HN 0.232 nan 8.230 nan 0.000 0.433 23 L N -1.689 119.542 121.223 0.013 0.000 2.072 23 L HA -0.195 4.145 4.340 -0.000 0.000 0.205 23 L C 2.571 179.459 176.870 0.030 0.000 1.079 23 L CA 1.359 56.199 54.840 0.001 0.000 0.752 23 L CB -0.858 41.197 42.059 -0.007 0.000 0.906 23 L HN 0.380 nan 8.230 nan 0.000 0.436 24 H N 0.418 119.475 119.070 -0.022 0.000 2.352 24 H HA -0.207 4.349 4.556 -0.000 0.000 0.299 24 H C 1.746 177.065 175.328 -0.014 0.000 1.097 24 H CA 2.052 58.091 56.048 -0.014 0.000 1.311 24 H CB 0.067 29.822 29.762 -0.011 0.000 1.377 24 H HN 0.206 nan 8.280 nan 0.000 0.504 25 D N -0.573 119.862 120.400 0.059 0.000 2.263 25 D HA -0.080 4.560 4.640 -0.000 0.000 0.208 25 D C 1.404 177.668 176.300 -0.059 0.000 0.971 25 D CA 1.188 55.188 54.000 -0.001 0.000 0.867 25 D CB -0.130 40.694 40.800 0.039 0.000 0.929 25 D HN 0.315 nan 8.370 nan 0.000 0.492 26 S N -0.906 114.760 115.700 -0.057 0.000 2.660 26 S HA 0.331 4.801 4.470 -0.000 0.000 0.227 26 S C 1.321 175.875 174.600 -0.077 0.000 0.948 26 S CA 0.320 58.485 58.200 -0.058 0.000 0.948 26 S CB 0.581 63.754 63.200 -0.046 0.000 0.779 26 S HN 0.384 nan 8.310 nan 0.000 0.487 27 G N 1.626 110.351 108.800 -0.125 0.000 2.160 27 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.244 27 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.244 27 G C -0.156 174.690 174.900 -0.090 0.000 1.022 27 G CA -0.127 44.897 45.100 -0.127 0.000 0.741 27 G HN 0.473 nan 8.290 nan 0.000 0.508 28 L N -0.046 121.131 121.223 -0.077 0.000 2.334 28 L HA 0.457 4.797 4.340 -0.000 0.000 0.272 28 L C 0.083 176.952 176.870 -0.001 0.000 1.020 28 L CA -1.214 53.609 54.840 -0.028 0.000 0.812 28 L CB 1.149 43.201 42.059 -0.012 0.000 1.264 28 L HN 0.021 nan 8.230 nan 0.000 0.439 29 N N 2.503 121.218 118.700 0.025 0.000 2.401 29 N HA 0.245 4.985 4.740 -0.000 0.000 0.255 29 N C -0.392 175.162 175.510 0.072 0.000 1.110 29 N CA -0.074 53.010 53.050 0.057 0.000 0.949 29 N CB 1.544 40.061 38.487 0.051 0.000 1.110 29 N HN 0.359 nan 8.380 nan 0.000 0.490 30 V N 0.044 120.014 119.914 0.094 0.000 3.093 30 V HA 0.766 4.886 4.120 -0.000 0.000 0.320 30 V C 0.163 176.291 176.094 0.057 0.000 1.093 30 V CA -0.725 61.618 62.300 0.071 0.000 1.016 30 V CB 2.018 33.881 31.823 0.065 0.000 1.096 30 V HN 0.194 nan 8.190 nan 0.000 0.452 31 V N 1.126 121.056 119.914 0.026 0.000 2.777 31 V HA 0.490 4.610 4.120 -0.000 0.000 0.306 31 V C -0.805 175.253 176.094 -0.060 0.000 1.112 31 V CA -0.378 61.916 62.300 -0.009 0.000 0.917 31 V CB 2.344 34.171 31.823 0.007 0.000 1.018 31 V HN 0.853 nan 8.190 nan 0.000 0.426 32 V N 6.452 126.320 119.914 -0.075 0.000 2.370 32 V HA 0.505 4.625 4.120 -0.000 0.000 0.283 32 V C -0.281 175.728 176.094 -0.141 0.000 1.023 32 V CA -0.476 61.771 62.300 -0.088 0.000 0.857 32 V CB 1.594 33.382 31.823 -0.058 0.000 0.985 32 V HN 0.613 nan 8.190 nan 0.000 0.443 33 L N 4.713 125.830 121.223 -0.175 0.000 2.265 33 L HA 0.659 4.999 4.340 -0.000 0.000 0.289 33 L C -0.257 176.526 176.870 -0.144 0.000 1.033 33 L CA -0.333 54.378 54.840 -0.216 0.000 0.814 33 L CB 1.493 43.371 42.059 -0.302 0.000 1.203 33 L HN 0.648 nan 8.230 nan 0.000 0.423 34 E N 2.402 122.521 120.200 -0.135 0.000 2.234 34 E HA 0.532 4.882 4.350 -0.000 0.000 0.266 34 E C 0.049 176.542 176.600 -0.178 0.000 0.877 34 E CA -0.355 55.969 56.400 -0.128 0.000 0.758 34 E CB 2.096 31.744 29.700 -0.087 0.000 1.170 34 E HN 0.533 nan 8.360 nan 0.000 0.415 35 A N 5.225 127.879 122.820 -0.276 0.000 1.897 35 A HA 0.050 4.370 4.320 -0.000 0.000 0.215 35 A C 1.189 178.548 177.584 -0.374 0.000 1.181 35 A CA 0.819 52.570 52.037 -0.477 0.000 0.620 35 A CB -0.160 18.196 19.000 -1.073 0.000 0.821 35 A HN 0.580 nan 8.150 nan 0.000 0.443 36 R N 0.059 120.404 120.500 -0.260 0.000 2.652 36 R HA 0.192 4.532 4.340 -0.000 0.000 0.271 36 R C -0.134 176.111 176.300 -0.092 0.000 1.129 36 R CA 0.245 56.264 56.100 -0.134 0.000 1.200 36 R CB 0.161 30.415 30.300 -0.076 0.000 1.146 36 R HN 0.478 nan 8.270 nan 0.000 0.581 37 D N 0.542 120.903 120.400 -0.064 0.000 2.413 37 D HA 0.009 4.649 4.640 -0.000 0.000 0.237 37 D C -0.512 175.769 176.300 -0.032 0.000 1.171 37 D CA -0.173 53.801 54.000 -0.044 0.000 0.839 37 D CB -0.096 40.687 40.800 -0.030 0.000 0.950 37 D HN 0.415 nan 8.370 nan 0.000 0.499 38 R N -1.551 118.927 120.500 -0.037 0.000 2.634 38 R HA 0.506 4.846 4.340 -0.000 0.000 0.263 38 R C -0.562 175.735 176.300 -0.005 0.000 1.060 38 R CA -1.126 54.967 56.100 -0.012 0.000 0.898 38 R CB 0.825 31.117 30.300 -0.013 0.000 1.253 38 R HN -0.096 nan 8.270 nan 0.000 0.461 39 V N -0.627 119.295 119.914 0.014 0.000 3.336 39 V HA 0.863 4.983 4.120 -0.000 0.000 0.304 39 V C 1.041 177.170 176.094 0.057 0.000 1.073 39 V CA 0.718 63.030 62.300 0.020 0.000 1.074 39 V CB 0.755 32.584 31.823 0.009 0.000 1.161 39 V HN 1.204 nan 8.190 nan 0.000 0.460 40 G N -0.910 107.931 108.800 0.069 0.000 2.491 40 G HA2 0.163 4.123 3.960 -0.000 0.000 0.203 40 G HA3 0.163 4.123 3.960 -0.000 0.000 0.203 40 G C 1.678 176.660 174.900 0.136 0.000 1.052 40 G CA 0.850 46.016 45.100 0.109 0.000 0.675 40 G HN 2.598 nan 8.290 nan 0.000 0.504 41 G N 0.631 109.520 108.800 0.147 0.000 2.677 41 G HA2 -0.419 3.541 3.960 -0.000 0.000 0.321 41 G HA3 -0.419 3.541 3.960 -0.000 0.000 0.321 41 G C 0.993 176.064 174.900 0.285 0.000 1.181 41 G CA 1.538 46.751 45.100 0.188 0.000 0.965 41 G HN 1.174 nan 8.290 nan 0.000 0.548 42 R N 1.941 122.520 120.500 0.132 0.000 2.313 42 R HA 0.232 4.572 4.340 -0.000 0.000 0.199 42 R C 0.864 177.087 176.300 -0.129 0.000 0.958 42 R CA 1.023 57.036 56.100 -0.145 0.000 1.047 42 R CB -0.067 30.115 30.300 -0.197 0.000 0.955 42 R HN 0.690 nan 8.270 nan 0.000 0.481 43 T N -2.178 112.444 114.554 0.112 0.000 2.824 43 T HA 0.342 4.692 4.350 -0.000 0.000 0.280 43 T C -1.003 173.928 174.700 0.386 0.000 0.995 43 T CA -0.644 61.570 62.100 0.191 0.000 1.009 43 T CB 1.613 70.561 68.868 0.133 0.000 0.955 43 T HN 0.042 nan 8.240 nan 0.000 0.452 44 Y N 1.493 121.956 120.300 0.271 0.000 2.362 44 Y HA 0.481 5.031 4.550 -0.000 0.000 0.326 44 Y C -1.151 174.863 175.900 0.191 0.000 1.083 44 Y CA -1.129 57.120 58.100 0.248 0.000 1.073 44 Y CB 1.808 40.465 38.460 0.328 0.000 1.211 44 Y HN 0.834 nan 8.280 nan 0.000 0.433 45 T N 8.117 122.667 114.554 -0.006 0.000 2.801 45 T HA 0.344 4.694 4.350 -0.000 0.000 0.306 45 T C -0.704 173.795 174.700 -0.335 0.000 1.020 45 T CA -0.379 61.643 62.100 -0.130 0.000 0.948 45 T CB 0.260 69.137 68.868 0.014 0.000 0.962 45 T HN 0.577 nan 8.240 nan 0.000 0.465 46 L N 4.750 125.701 121.223 -0.453 0.000 2.380 46 L HA 0.458 4.798 4.340 -0.000 0.000 0.273 46 L C 0.104 176.903 176.870 -0.118 0.000 1.138 46 L CA 0.276 54.893 54.840 -0.371 0.000 0.832 46 L CB 0.274 42.138 42.059 -0.325 0.000 1.124 46 L HN 0.507 nan 8.230 nan 0.000 0.454 47 R N 3.943 124.403 120.500 -0.067 0.000 2.476 47 R HA 0.559 4.899 4.340 -0.000 0.000 0.305 47 R C -1.184 175.101 176.300 -0.026 0.000 0.965 47 R CA -0.702 55.386 56.100 -0.019 0.000 0.867 47 R CB 1.319 31.623 30.300 0.008 0.000 1.176 47 R HN 0.897 nan 8.270 nan 0.000 0.447 48 N N -0.379 118.292 118.700 -0.048 0.000 3.116 48 N HA 0.013 4.753 4.740 -0.000 0.000 0.244 48 N C -0.076 175.385 175.510 -0.082 0.000 1.485 48 N CA -0.824 52.195 53.050 -0.052 0.000 0.884 48 N CB 0.727 39.187 38.487 -0.044 0.000 1.415 48 N HN 0.166 nan 8.380 nan 0.000 0.524 49 Q N -0.386 119.369 119.800 -0.074 0.000 2.123 49 Q HA 0.087 4.427 4.340 -0.000 0.000 0.199 49 Q C 0.630 176.597 176.000 -0.056 0.000 0.966 49 Q CA 1.000 56.773 55.803 -0.050 0.000 0.845 49 Q CB -0.034 28.680 28.738 -0.040 0.000 0.907 49 Q HN 0.518 nan 8.270 nan 0.000 0.439 50 K N 0.004 120.289 120.400 -0.192 0.000 2.283 50 K HA -0.024 4.296 4.320 -0.000 0.000 0.202 50 K C 1.647 178.118 176.600 -0.215 0.000 1.048 50 K CA 0.538 56.639 56.287 -0.309 0.000 0.948 50 K CB 0.316 32.298 32.500 -0.862 0.000 0.742 50 K HN 0.036 nan 8.250 nan 0.000 0.458 51 V N -0.453 119.301 119.914 -0.268 0.000 3.562 51 V HA -0.017 4.103 4.120 -0.000 0.000 0.270 51 V C 1.105 176.807 176.094 -0.654 0.000 1.418 51 V CA 0.513 62.551 62.300 -0.438 0.000 1.033 51 V CB 0.225 31.855 31.823 -0.321 0.000 0.820 51 V HN 0.300 nan 8.190 nan 0.000 0.441 52 K N 0.757 120.845 120.400 -0.520 0.000 11.017 52 K HA -0.306 4.014 4.320 -0.000 0.000 0.514 52 K C 0.094 176.590 176.600 -0.174 0.000 0.416 52 K CA 2.618 58.650 56.287 -0.426 0.000 1.853 52 K CB -1.100 30.924 32.500 -0.795 0.000 0.797 52 K HN 0.645 nan 8.250 nan 0.000 1.242 53 Y N -1.721 118.424 120.300 -0.258 0.000 2.524 53 Y HA 0.760 5.310 4.550 -0.000 0.000 0.347 53 Y C -1.143 174.702 175.900 -0.092 0.000 1.005 53 Y CA -0.860 57.154 58.100 -0.143 0.000 1.025 53 Y CB 2.097 40.499 38.460 -0.096 0.000 1.275 53 Y HN 0.068 nan 8.280 nan 0.000 0.460 54 V N 2.297 122.244 119.914 0.056 0.000 2.851 54 V HA 0.349 4.468 4.120 -0.000 0.000 0.307 54 V C -1.569 174.562 176.094 0.062 0.000 1.129 54 V CA -0.693 61.639 62.300 0.052 0.000 0.932 54 V CB 2.082 33.949 31.823 0.073 0.000 1.024 54 V HN 0.922 nan 8.190 nan 0.000 0.426 55 D N 5.711 126.163 120.400 0.087 0.000 2.374 55 D HA 0.280 4.920 4.640 -0.000 0.000 0.240 55 D C 1.025 177.389 176.300 0.107 0.000 1.229 55 D CA 0.125 54.172 54.000 0.079 0.000 0.895 55 D CB 1.634 42.462 40.800 0.048 0.000 1.046 55 D HN 0.482 nan 8.370 nan 0.000 0.498 56 L N 1.350 122.654 121.223 0.135 0.000 2.478 56 L HA 0.106 4.446 4.340 -0.000 0.000 0.223 56 L C 1.595 178.807 176.870 0.571 0.000 1.140 56 L CA 0.321 55.334 54.840 0.289 0.000 0.842 56 L CB 0.133 42.334 42.059 0.236 0.000 0.953 56 L HN 0.316 nan 8.230 nan 0.000 0.452 57 G N -0.983 108.096 108.800 0.465 0.000 3.356 57 G HA2 0.424 4.384 3.960 -0.000 0.000 0.178 57 G HA3 0.424 4.384 3.960 -0.000 0.000 0.178 57 G C -0.140 174.817 174.900 0.095 0.000 1.175 57 G CA 0.053 45.329 45.100 0.294 0.000 0.840 57 G HN 0.111 nan 8.290 nan 0.000 0.658 58 G N -0.649 108.150 108.800 -0.001 0.000 2.398 58 G HA2 0.397 4.357 3.960 -0.000 0.000 0.246 58 G HA3 0.397 4.357 3.960 -0.000 0.000 0.246 58 G C 0.344 175.247 174.900 0.004 0.000 1.289 58 G CA 0.943 46.035 45.100 -0.012 0.000 0.869 58 G HN 0.749 nan 8.290 nan 0.000 0.543 59 S N 0.947 116.604 115.700 -0.071 0.000 3.984 59 S HA 0.200 4.670 4.470 -0.000 0.000 0.221 59 S C -0.031 174.333 174.600 -0.393 0.000 1.149 59 S CA -0.331 57.709 58.200 -0.266 0.000 0.950 59 S CB -0.331 62.534 63.200 -0.558 0.000 1.216 59 S HN 0.464 nan 8.310 nan 0.000 0.547 60 Y N 3.095 123.361 120.300 -0.056 0.000 2.411 60 Y HA 0.477 5.026 4.550 -0.000 0.000 0.333 60 Y C 0.300 176.069 175.900 -0.217 0.000 1.186 60 Y CA -0.305 57.705 58.100 -0.150 0.000 1.381 60 Y CB 0.644 39.050 38.460 -0.089 0.000 1.273 60 Y HN 0.158 nan 8.280 nan 0.000 0.546 61 V N -0.369 119.414 119.914 -0.219 0.000 2.876 61 V HA 1.072 5.192 4.120 -0.000 0.000 0.312 61 V C -0.277 175.624 176.094 -0.322 0.000 1.085 61 V CA -0.577 61.524 62.300 -0.332 0.000 0.945 61 V CB 1.578 33.128 31.823 -0.455 0.000 1.017 61 V HN 0.954 nan 8.190 nan 0.000 0.428 62 G N 1.533 110.094 108.800 -0.400 0.000 2.798 62 G HA2 0.814 4.774 3.960 -0.000 0.000 0.286 62 G HA3 0.814 4.774 3.960 -0.000 0.000 0.286 62 G C -3.227 171.514 174.900 -0.264 0.000 1.389 62 G CA -1.763 43.151 45.100 -0.309 0.000 0.894 62 G HN 0.715 nan 8.290 nan 0.000 0.488 63 P HA 0.061 nan 4.420 nan 0.000 0.265 63 P C 0.706 177.988 177.300 -0.030 0.000 1.187 63 P CA 1.829 64.885 63.100 -0.073 0.000 0.766 63 P CB 0.972 32.653 31.700 -0.031 0.000 0.820 64 T N -1.338 113.235 114.554 0.032 0.000 6.424 64 T HA -0.241 4.109 4.350 -0.000 0.000 0.279 64 T C 0.308 175.090 174.700 0.136 0.000 2.176 64 T CA 1.037 63.242 62.100 0.175 0.000 3.628 64 T CB -2.624 66.449 68.868 0.342 0.000 1.165 64 T HN 0.594 nan 8.240 nan 0.000 1.080 65 Q N 1.241 120.938 119.800 -0.172 0.000 3.041 65 Q HA 0.338 4.678 4.340 -0.000 0.000 0.372 65 Q C 0.999 176.938 176.000 -0.102 0.000 1.241 65 Q CA -0.414 55.190 55.803 -0.330 0.000 1.010 65 Q CB 0.130 28.459 28.738 -0.681 0.000 1.467 65 Q HN 0.552 nan 8.270 nan 0.000 0.462 66 N N 0.947 119.660 118.700 0.022 0.000 2.244 66 N HA -0.104 4.635 4.740 -0.000 0.000 0.183 66 N C 1.351 176.887 175.510 0.043 0.000 1.016 66 N CA 0.909 53.980 53.050 0.035 0.000 0.866 66 N CB 0.193 38.715 38.487 0.059 0.000 0.980 66 N HN 0.389 nan 8.380 nan 0.000 0.430 67 R N 0.647 121.185 120.500 0.062 0.000 2.070 67 R HA -0.047 4.293 4.340 -0.000 0.000 0.233 67 R C 2.166 178.496 176.300 0.050 0.000 1.137 67 R CA 0.905 57.041 56.100 0.062 0.000 0.945 67 R CB -0.473 29.878 30.300 0.085 0.000 0.845 67 R HN 0.118 nan 8.270 nan 0.000 0.430 68 I N 1.241 121.840 120.570 0.049 0.000 2.286 68 I HA -0.213 3.957 4.170 -0.000 0.000 0.248 68 I C 1.926 178.111 176.117 0.112 0.000 1.115 68 I CA 1.373 62.717 61.300 0.073 0.000 1.392 68 I CB -0.111 37.946 38.000 0.094 0.000 1.065 68 I HN 0.122 nan 8.210 nan 0.000 0.418 69 L N 0.223 121.504 121.223 0.096 0.000 2.042 69 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 69 L C 2.801 179.722 176.870 0.085 0.000 1.076 69 L CA 1.758 56.668 54.840 0.117 0.000 0.749 69 L CB -0.700 41.383 42.059 0.040 0.000 0.893 69 L HN 0.299 nan 8.230 nan 0.000 0.432 70 R N 0.414 120.944 120.500 0.051 0.000 2.062 70 R HA -0.210 4.130 4.340 -0.000 0.000 0.231 70 R C 2.355 178.666 176.300 0.018 0.000 1.136 70 R CA 1.730 57.850 56.100 0.033 0.000 0.948 70 R CB -0.456 29.861 30.300 0.029 0.000 0.845 70 R HN 0.235 nan 8.270 nan 0.000 0.430 71 L N 1.111 122.341 121.223 0.011 0.000 2.131 71 L HA -0.057 4.283 4.340 -0.000 0.000 0.210 71 L C 2.258 179.098 176.870 -0.051 0.000 1.092 71 L CA 2.104 56.936 54.840 -0.015 0.000 0.759 71 L CB -0.634 41.416 42.059 -0.014 0.000 0.903 71 L HN 0.283 nan 8.230 nan 0.000 0.435 72 A N -0.436 122.348 122.820 -0.061 0.000 1.873 72 A HA -0.225 4.095 4.320 -0.000 0.000 0.215 72 A C 2.433 179.970 177.584 -0.078 0.000 1.186 72 A CA 1.780 53.721 52.037 -0.161 0.000 0.616 72 A CB -0.603 18.255 19.000 -0.237 0.000 0.823 72 A HN 0.510 nan 8.150 nan 0.000 0.442 73 K N -0.103 120.299 120.400 0.002 0.000 1.991 73 K HA -0.249 4.071 4.320 -0.000 0.000 0.212 73 K C 2.094 178.689 176.600 -0.008 0.000 1.049 73 K CA 1.923 58.219 56.287 0.014 0.000 0.932 73 K CB -0.295 32.223 32.500 0.030 0.000 0.717 73 K HN 0.567 nan 8.250 nan 0.000 0.441 74 E N 0.407 120.601 120.200 -0.010 0.000 2.171 74 E HA -0.205 4.145 4.350 -0.000 0.000 0.197 74 E C 1.666 178.251 176.600 -0.025 0.000 0.997 74 E CA 1.099 57.492 56.400 -0.012 0.000 0.810 74 E CB -0.047 29.648 29.700 -0.008 0.000 0.738 74 E HN 0.403 nan 8.360 nan 0.000 0.467 75 L N -0.732 120.464 121.223 -0.046 0.000 2.599 75 L HA 0.134 4.474 4.340 -0.000 0.000 0.230 75 L C 1.444 178.279 176.870 -0.059 0.000 1.141 75 L CA 0.523 55.326 54.840 -0.060 0.000 0.877 75 L CB 0.317 42.320 42.059 -0.093 0.000 1.009 75 L HN 0.453 nan 8.230 nan 0.000 0.447 76 G N -0.530 108.244 108.800 -0.044 0.000 2.176 76 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.232 76 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.232 76 G C 0.244 175.126 174.900 -0.030 0.000 0.986 76 G CA -0.310 44.771 45.100 -0.032 0.000 0.643 76 G HN 0.173 nan 8.290 nan 0.000 0.522 77 L N 0.087 121.282 121.223 -0.048 0.000 2.439 77 L HA 0.779 5.119 4.340 -0.000 0.000 0.259 77 L C 0.591 177.504 176.870 0.071 0.000 1.129 77 L CA -0.576 54.247 54.840 -0.028 0.000 0.803 77 L CB 1.105 43.070 42.059 -0.157 0.000 1.161 77 L HN 0.162 nan 8.230 nan 0.000 0.462 78 E N -0.445 119.838 120.200 0.139 0.000 2.343 78 E HA 0.415 4.765 4.350 -0.000 0.000 0.270 78 E C -1.136 175.613 176.600 0.248 0.000 0.895 78 E CA -0.584 55.916 56.400 0.166 0.000 0.767 78 E CB 2.578 32.344 29.700 0.111 0.000 1.248 78 E HN 0.702 nan 8.360 nan 0.000 0.440 79 T N -0.986 113.668 114.554 0.165 0.000 2.952 79 T HA 0.634 4.984 4.350 -0.000 0.000 0.286 79 T C -0.721 174.064 174.700 0.143 0.000 1.024 79 T CA -0.670 61.468 62.100 0.064 0.000 1.029 79 T CB 0.757 69.547 68.868 -0.130 0.000 1.094 79 T HN 0.485 nan 8.240 nan 0.000 0.515 80 Y N -1.559 118.729 120.300 -0.020 0.000 2.553 80 Y HA 0.698 5.248 4.550 -0.000 0.000 0.347 80 Y C -0.719 175.177 175.900 -0.006 0.000 1.019 80 Y CA -1.580 56.523 58.100 0.005 0.000 1.032 80 Y CB 1.333 39.816 38.460 0.038 0.000 1.284 80 Y HN 0.623 nan 8.280 nan 0.000 0.466 81 K N 2.644 123.106 120.400 0.104 0.000 2.379 81 K HA 0.322 4.642 4.320 -0.000 0.000 0.284 81 K C -0.595 176.023 176.600 0.030 0.000 1.044 81 K CA -0.516 55.772 56.287 0.002 0.000 0.974 81 K CB 1.090 33.616 32.500 0.043 0.000 0.962 81 K HN 0.560 nan 8.250 nan 0.000 0.474 82 V N 3.206 123.072 119.914 -0.081 0.000 2.788 82 V HA -0.121 3.999 4.120 -0.000 0.000 0.307 82 V C 0.625 176.757 176.094 0.063 0.000 1.069 82 V CA -0.123 62.188 62.300 0.020 0.000 1.173 82 V CB 0.309 32.142 31.823 0.017 0.000 0.925 82 V HN 0.742 nan 8.190 nan 0.000 0.492 83 N N 3.528 122.291 118.700 0.106 0.000 2.427 83 N HA 0.035 4.775 4.740 -0.000 0.000 0.269 83 N C 0.275 175.801 175.510 0.027 0.000 1.235 83 N CA 0.386 53.487 53.050 0.085 0.000 0.934 83 N CB 0.303 38.867 38.487 0.127 0.000 1.121 83 N HN 0.808 nan 8.380 nan 0.000 0.480 84 E N 2.962 123.169 120.200 0.012 0.000 2.968 84 E HA 0.102 4.452 4.350 -0.000 0.000 0.202 84 E C 0.424 177.017 176.600 -0.011 0.000 0.979 84 E CA -0.056 56.332 56.400 -0.020 0.000 1.192 84 E CB 0.313 29.987 29.700 -0.043 0.000 1.059 84 E HN 0.494 nan 8.360 nan 0.000 0.470 85 V N 0.296 120.217 119.914 0.012 0.000 2.358 85 V HA -0.160 3.960 4.120 -0.000 0.000 0.246 85 V C 0.998 177.097 176.094 0.008 0.000 1.047 85 V CA 1.495 63.802 62.300 0.012 0.000 1.035 85 V CB -0.287 31.548 31.823 0.019 0.000 0.658 85 V HN 0.217 nan 8.190 nan 0.000 0.452 86 E N -0.508 119.703 120.200 0.018 0.000 3.188 86 E HA 0.403 4.753 4.350 -0.000 0.000 0.262 86 E C 0.244 176.847 176.600 0.005 0.000 1.341 86 E CA -0.637 55.780 56.400 0.027 0.000 1.140 86 E CB 0.245 29.981 29.700 0.059 0.000 1.306 86 E HN 0.311 nan 8.360 nan 0.000 0.694 87 R N 0.402 120.927 120.500 0.042 0.000 2.539 87 R HA 0.327 4.667 4.340 -0.000 0.000 0.275 87 R C -0.206 176.014 176.300 -0.133 0.000 1.077 87 R CA -0.370 55.719 56.100 -0.018 0.000 1.097 87 R CB 0.199 30.559 30.300 0.100 0.000 1.018 87 R HN 0.313 nan 8.270 nan 0.000 0.483 88 L N 2.466 123.428 121.223 -0.437 0.000 2.439 88 L HA 0.505 4.845 4.340 -0.000 0.000 0.259 88 L C 0.167 176.746 176.870 -0.485 0.000 1.129 88 L CA -0.731 53.749 54.840 -0.599 0.000 0.803 88 L CB 0.447 41.897 42.059 -1.016 0.000 1.161 88 L HN 0.470 nan 8.230 nan 0.000 0.462 89 I N 0.270 120.707 120.570 -0.221 0.000 2.389 89 I HA 0.226 4.396 4.170 -0.000 0.000 0.288 89 I C -0.598 175.783 176.117 0.441 0.000 0.999 89 I CA -0.537 60.803 61.300 0.065 0.000 1.129 89 I CB 1.545 39.445 38.000 -0.167 0.000 1.288 89 I HN 0.507 nan 8.210 nan 0.000 0.444 90 H N 5.507 124.919 119.070 0.569 0.000 2.652 90 H HA 0.299 4.855 4.556 -0.000 0.000 0.298 90 H C -1.069 174.487 175.328 0.380 0.000 1.076 90 H CA -0.301 56.002 56.048 0.424 0.000 1.360 90 H CB 0.396 30.314 29.762 0.261 0.000 1.421 90 H HN 0.490 nan 8.280 nan 0.000 0.464 91 H N 4.249 123.377 119.070 0.097 0.000 2.556 91 H HA 0.532 5.088 4.556 -0.000 0.000 0.310 91 H C -1.313 173.956 175.328 -0.098 0.000 1.057 91 H CA -0.509 55.541 56.048 0.002 0.000 1.264 91 H CB 0.376 30.155 29.762 0.029 0.000 1.404 91 H HN 0.401 nan 8.280 nan 0.000 0.462 92 V N 5.979 125.696 119.914 -0.329 0.000 2.808 92 V HA 0.232 4.352 4.120 -0.000 0.000 0.308 92 V C -0.674 175.340 176.094 -0.133 0.000 1.099 92 V CA -0.960 61.206 62.300 -0.224 0.000 0.920 92 V CB 1.499 33.141 31.823 -0.301 0.000 1.014 92 V HN 1.047 nan 8.190 nan 0.000 0.425 93 K N 4.764 125.112 120.400 -0.087 0.000 3.311 93 K HA -0.234 4.086 4.320 -0.000 0.000 0.270 93 K C 0.962 177.508 176.600 -0.090 0.000 0.927 93 K CA 0.821 57.083 56.287 -0.042 0.000 0.706 93 K CB -1.517 30.989 32.500 0.009 0.000 1.418 93 K HN 1.772 nan 8.250 nan 0.000 0.459 94 G N -0.373 108.314 108.800 -0.189 0.000 2.184 94 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.264 94 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.264 94 G C -0.032 174.703 174.900 -0.274 0.000 0.975 94 G CA 0.951 45.967 45.100 -0.140 0.000 0.642 94 G HN 0.376 nan 8.290 nan 0.000 0.536 95 K N 0.063 120.151 120.400 -0.520 0.000 2.375 95 K HA 0.598 4.918 4.320 -0.000 0.000 0.249 95 K C -0.733 175.520 176.600 -0.579 0.000 0.942 95 K CA -0.547 55.477 56.287 -0.440 0.000 0.806 95 K CB 1.791 34.060 32.500 -0.386 0.000 1.227 95 K HN 0.070 nan 8.250 nan 0.000 0.430 96 S N 1.888 117.369 115.700 -0.365 0.000 2.429 96 S HA 0.393 4.863 4.470 -0.000 0.000 0.302 96 S C -1.310 173.077 174.600 -0.356 0.000 1.115 96 S CA -0.540 57.562 58.200 -0.163 0.000 1.095 96 S CB 0.156 63.377 63.200 0.036 0.000 0.987 96 S HN 0.316 nan 8.310 nan 0.000 0.474 97 Y N 2.812 123.198 120.300 0.142 0.000 2.345 97 Y HA 0.402 4.952 4.550 -0.000 0.000 0.331 97 Y C -2.502 173.583 175.900 0.307 0.000 0.959 97 Y CA -2.590 55.633 58.100 0.206 0.000 1.204 97 Y CB 0.758 39.339 38.460 0.202 0.000 1.135 97 Y HN 0.442 nan 8.280 nan 0.000 0.477 98 P HA 0.339 nan 4.420 nan 0.000 0.274 98 P C -0.915 176.654 177.300 0.448 0.000 1.237 98 P CA -0.166 63.130 63.100 0.325 0.000 0.793 98 P CB 0.738 32.618 31.700 0.300 0.000 0.977 99 F N -1.858 118.187 119.950 0.159 0.000 2.817 99 F HA 0.669 5.196 4.527 -0.000 0.000 0.317 99 F C -1.211 174.644 175.800 0.092 0.000 1.168 99 F CA -1.236 56.841 58.000 0.129 0.000 0.911 99 F CB 1.187 40.256 39.000 0.115 0.000 1.337 99 F HN 0.030 nan 8.300 nan 0.000 0.464 100 R N 0.789 121.430 120.500 0.235 0.000 2.912 100 R HA 0.764 5.103 4.340 -0.000 0.000 0.262 100 R C -0.157 176.290 176.300 0.245 0.000 1.057 100 R CA -0.702 55.453 56.100 0.092 0.000 0.981 100 R CB 1.529 31.876 30.300 0.079 0.000 1.201 100 R HN 1.519 nan 8.270 nan 0.000 0.484 101 G N 0.966 109.840 108.800 0.123 0.000 2.782 101 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.228 101 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.228 101 G C -2.152 172.851 174.900 0.171 0.000 1.372 101 G CA -0.634 44.546 45.100 0.133 0.000 0.862 101 G HN 0.422 nan 8.290 nan 0.000 0.547 102 P HA 0.219 nan 4.420 nan 0.000 0.221 102 P C 0.465 177.616 177.300 -0.247 0.000 1.155 102 P CA 0.925 63.925 63.100 -0.166 0.000 0.812 102 P CB 0.166 31.605 31.700 -0.436 0.000 0.801 103 F N 0.170 120.089 119.950 -0.052 0.000 2.458 103 F HA 0.423 4.950 4.527 -0.000 0.000 0.336 103 F C -2.151 173.398 175.800 -0.419 0.000 1.114 103 F CA -2.950 54.912 58.000 -0.231 0.000 0.987 103 F CB 0.701 39.525 39.000 -0.293 0.000 1.130 103 F HN -0.295 nan 8.300 nan 0.000 0.458 104 P HA 0.140 nan 4.420 nan 0.000 0.271 104 P C -2.477 174.465 177.300 -0.596 0.000 1.216 104 P CA -0.952 61.338 63.100 -1.350 0.000 0.776 104 P CB -0.003 30.944 31.700 -1.255 0.000 0.881 105 P HA 0.210 nan 4.420 nan 0.000 0.279 105 P C -1.145 175.895 177.300 -0.433 0.000 1.252 105 P CA -0.250 62.605 63.100 -0.408 0.000 0.811 105 P CB 1.080 32.515 31.700 -0.441 0.000 1.035 106 V N 2.509 122.141 119.914 -0.470 0.000 2.709 106 V HA 0.386 4.506 4.120 -0.000 0.000 0.308 106 V C -0.470 175.392 176.094 -0.386 0.000 1.062 106 V CA -0.525 61.555 62.300 -0.366 0.000 0.901 106 V CB 1.814 33.405 31.823 -0.388 0.000 1.003 106 V HN 0.628 nan 8.190 nan 0.000 0.425 107 W N 2.623 123.860 121.300 -0.105 0.000 2.699 107 W HA 0.305 4.965 4.660 -0.000 0.000 0.267 107 W C 1.321 177.796 176.519 -0.074 0.000 1.182 107 W CA 0.008 57.292 57.345 -0.103 0.000 1.453 107 W CB 0.249 29.655 29.460 -0.090 0.000 1.054 107 W HN 0.623 nan 8.180 nan 0.000 0.595 108 N N 2.118 120.929 118.700 0.185 0.000 2.365 108 N HA -0.074 4.666 4.740 -0.000 0.000 0.265 108 N C -1.793 173.792 175.510 0.124 0.000 1.288 108 N CA -0.127 52.998 53.050 0.124 0.000 0.869 108 N CB 1.242 39.782 38.487 0.089 0.000 1.071 108 N HN -0.090 nan 8.380 nan 0.000 0.480 109 P HA -0.064 nan 4.420 nan 0.000 0.217 109 P C 1.604 178.994 177.300 0.151 0.000 1.151 109 P CA 0.590 63.768 63.100 0.131 0.000 0.828 109 P CB 0.388 32.142 31.700 0.090 0.000 0.788 110 I N -0.187 120.446 120.570 0.104 0.000 2.090 110 I HA -0.191 3.979 4.170 -0.000 0.000 0.236 110 I C 2.021 178.198 176.117 0.100 0.000 1.064 110 I CA 1.949 63.298 61.300 0.082 0.000 1.324 110 I CB -2.075 35.966 38.000 0.069 0.000 1.044 110 I HN 0.016 nan 8.210 nan 0.000 0.399 111 T N 0.575 115.197 114.554 0.114 0.000 2.714 111 T HA -0.303 4.047 4.350 -0.000 0.000 0.268 111 T C 1.847 176.633 174.700 0.144 0.000 1.036 111 T CA 1.994 64.176 62.100 0.138 0.000 1.148 111 T CB -0.816 68.110 68.868 0.096 0.000 0.856 111 T HN 0.395 nan 8.240 nan 0.000 0.462 112 Y N 1.431 121.721 120.300 -0.015 0.000 2.181 112 Y HA -0.098 4.452 4.550 -0.000 0.000 0.288 112 Y C 2.081 177.990 175.900 0.015 0.000 1.146 112 Y CA 1.126 59.197 58.100 -0.048 0.000 1.164 112 Y CB -0.333 38.081 38.460 -0.077 0.000 0.982 112 Y HN 0.128 nan 8.280 nan 0.000 0.515 113 L N -0.108 121.096 121.223 -0.031 0.000 2.017 113 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 113 L C 2.195 178.992 176.870 -0.122 0.000 1.073 113 L CA 1.767 56.532 54.840 -0.125 0.000 0.745 113 L CB -0.677 41.359 42.059 -0.039 0.000 0.894 113 L HN 0.230 nan 8.230 nan 0.000 0.432 114 D N -0.827 119.558 120.400 -0.024 0.000 2.092 114 D HA -0.233 4.407 4.640 -0.000 0.000 0.193 114 D C 2.177 178.485 176.300 0.014 0.000 0.994 114 D CA 1.423 55.432 54.000 0.015 0.000 0.828 114 D CB 0.027 40.880 40.800 0.089 0.000 0.963 114 D HN 0.294 nan 8.370 nan 0.000 0.450 115 H N -0.371 118.644 119.070 -0.092 0.000 2.293 115 H HA -0.122 4.434 4.556 -0.000 0.000 0.300 115 H C 2.171 177.476 175.328 -0.039 0.000 1.082 115 H CA 1.366 57.378 56.048 -0.060 0.000 1.308 115 H CB -0.210 29.536 29.762 -0.027 0.000 1.375 115 H HN 0.308 nan 8.280 nan 0.000 0.495 116 N N 1.067 119.703 118.700 -0.106 0.000 2.166 116 N HA -0.171 4.569 4.740 -0.000 0.000 0.186 116 N C 1.779 177.216 175.510 -0.121 0.000 1.019 116 N CA 0.845 53.771 53.050 -0.207 0.000 0.856 116 N CB -0.230 37.936 38.487 -0.535 0.000 0.993 116 N HN 0.397 nan 8.380 nan 0.000 0.426 117 N N 0.314 118.944 118.700 -0.117 0.000 2.120 117 N HA -0.194 4.546 4.740 -0.000 0.000 0.188 117 N C 1.895 177.358 175.510 -0.078 0.000 1.024 117 N CA 0.853 53.845 53.050 -0.096 0.000 0.852 117 N CB -0.444 37.992 38.487 -0.085 0.000 1.003 117 N HN 0.267 nan 8.380 nan 0.000 0.424 118 F N 0.821 120.647 119.950 -0.207 0.000 2.025 118 F HA -0.180 4.347 4.527 -0.000 0.000 0.297 118 F C 1.912 177.555 175.800 -0.262 0.000 1.132 118 F CA 1.917 59.739 58.000 -0.296 0.000 1.191 118 F CB -1.045 37.655 39.000 -0.499 0.000 0.963 118 F HN 0.065 nan 8.300 nan 0.000 0.481 119 W N 0.687 121.738 121.300 -0.415 0.000 2.350 119 W HA -0.155 4.505 4.660 -0.000 0.000 0.289 119 W C 2.812 179.073 176.519 -0.430 0.000 1.215 119 W CA 1.406 58.437 57.345 -0.523 0.000 1.236 119 W CB -0.441 28.853 29.460 -0.277 0.000 1.130 119 W HN 0.000 nan 8.180 nan 0.000 0.541 120 R N 0.046 120.471 120.500 -0.124 0.000 2.093 120 R HA -0.090 4.250 4.340 -0.000 0.000 0.224 120 R C 1.689 177.889 176.300 -0.166 0.000 1.101 120 R CA 1.825 57.844 56.100 -0.136 0.000 0.979 120 R CB -0.646 29.570 30.300 -0.140 0.000 0.877 120 R HN 0.063 nan 8.270 nan 0.000 0.441 121 T N 1.496 115.925 114.554 -0.209 0.000 2.904 121 T HA -0.065 4.285 4.350 -0.000 0.000 0.267 121 T C 1.861 176.417 174.700 -0.240 0.000 1.059 121 T CA 0.923 62.906 62.100 -0.194 0.000 1.137 121 T CB -0.016 68.753 68.868 -0.165 0.000 0.879 121 T HN 0.106 nan 8.240 nan 0.000 0.467 122 M N 1.720 121.109 119.600 -0.352 0.000 2.080 122 M HA -0.089 4.391 4.480 -0.000 0.000 0.260 122 M C 1.804 177.994 176.300 -0.184 0.000 1.068 122 M CA 1.445 56.572 55.300 -0.289 0.000 1.109 122 M CB -1.129 31.281 32.600 -0.316 0.000 1.342 122 M HN 0.128 nan 8.290 nan 0.000 0.405 123 D N 0.258 120.564 120.400 -0.157 0.000 2.149 123 D HA -0.105 4.534 4.640 -0.000 0.000 0.201 123 D C 1.643 177.883 176.300 -0.101 0.000 0.972 123 D CA 0.911 54.840 54.000 -0.118 0.000 0.835 123 D CB -0.171 40.569 40.800 -0.101 0.000 0.966 123 D HN 0.255 nan 8.370 nan 0.000 0.476 124 D N 0.126 120.467 120.400 -0.100 0.000 2.084 124 D HA -0.106 4.534 4.640 -0.000 0.000 0.194 124 D C 2.154 178.444 176.300 -0.016 0.000 0.990 124 D CA 0.746 54.710 54.000 -0.059 0.000 0.826 124 D CB -0.248 40.516 40.800 -0.059 0.000 0.971 124 D HN 0.188 nan 8.370 nan 0.000 0.453 125 M N 0.058 119.624 119.600 -0.056 0.000 2.202 125 M HA -0.089 4.391 4.480 -0.000 0.000 0.262 125 M C 2.118 178.442 176.300 0.039 0.000 1.063 125 M CA 1.619 56.892 55.300 -0.046 0.000 1.097 125 M CB -0.239 32.110 32.600 -0.419 0.000 1.382 125 M HN 0.050 nan 8.290 nan 0.000 0.413 126 G N -0.681 108.094 108.800 -0.042 0.000 2.448 126 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.218 126 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.218 126 G C 1.590 176.490 174.900 -0.001 0.000 1.135 126 G CA 0.215 45.294 45.100 -0.034 0.000 0.784 126 G HN 0.361 nan 8.290 nan 0.000 0.543 127 R N -0.258 120.241 120.500 -0.003 0.000 2.237 127 R HA 0.004 4.343 4.340 -0.000 0.000 0.219 127 R C 1.833 178.143 176.300 0.016 0.000 1.080 127 R CA 0.716 56.808 56.100 -0.013 0.000 0.995 127 R CB 0.079 30.365 30.300 -0.023 0.000 0.875 127 R HN 0.177 nan 8.270 nan 0.000 0.462 128 E N -0.161 120.088 120.200 0.082 0.000 2.489 128 E HA 0.107 4.457 4.350 -0.000 0.000 0.193 128 E C -0.434 176.206 176.600 0.067 0.000 1.057 128 E CA 0.373 56.823 56.400 0.083 0.000 0.866 128 E CB 0.368 30.163 29.700 0.158 0.000 0.916 128 E HN 0.220 nan 8.360 nan 0.000 0.500 129 I N 1.479 122.100 120.570 0.085 0.000 2.382 129 I HA 0.301 4.471 4.170 -0.000 0.000 0.286 129 I C -2.367 173.760 176.117 0.018 0.000 1.002 129 I CA -2.616 58.729 61.300 0.076 0.000 1.135 129 I CB 1.866 39.974 38.000 0.179 0.000 1.288 129 I HN -0.247 nan 8.210 nan 0.000 0.448 130 P HA 0.196 nan 4.420 nan 0.000 0.276 130 P C 0.322 177.594 177.300 -0.045 0.000 1.243 130 P CA -0.079 62.963 63.100 -0.098 0.000 0.768 130 P CB 1.100 32.688 31.700 -0.187 0.000 0.856 131 S N 2.315 118.018 115.700 0.006 0.000 2.354 131 S HA -0.231 4.239 4.470 -0.000 0.000 0.219 131 S C 1.467 176.142 174.600 0.125 0.000 1.035 131 S CA 1.636 59.944 58.200 0.179 0.000 1.037 131 S CB -1.091 62.120 63.200 0.018 0.000 0.956 131 S HN 0.534 nan 8.310 nan 0.000 0.428 132 D N 1.669 122.018 120.400 -0.085 0.000 5.151 132 D HA -0.234 4.406 4.640 -0.000 0.000 0.243 132 D C 0.382 176.454 176.300 -0.381 0.000 1.563 132 D CA 2.105 55.969 54.000 -0.227 0.000 0.858 132 D CB -0.170 40.475 40.800 -0.259 0.000 0.880 132 D HN 0.543 nan 8.370 nan 0.000 0.721 133 A N -2.453 119.984 122.820 -0.638 0.000 2.893 133 A HA 0.346 4.666 4.320 -0.000 0.000 0.298 133 A C -2.078 174.680 177.584 -1.377 0.000 1.227 133 A CA -0.659 50.492 52.037 -1.477 0.000 0.845 133 A CB 1.001 19.367 19.000 -1.056 0.000 1.430 133 A HN 0.027 nan 8.150 nan 0.000 0.493 134 P HA -0.158 nan 4.420 nan 0.000 0.222 134 P C 1.088 178.194 177.300 -0.325 0.000 1.147 134 P CA 1.353 64.126 63.100 -0.545 0.000 0.790 134 P CB -0.236 31.099 31.700 -0.608 0.000 0.780 135 W N 0.718 121.950 121.300 -0.113 0.000 2.825 135 W HA 0.175 4.835 4.660 -0.000 0.000 0.243 135 W C 1.303 177.785 176.519 -0.061 0.000 1.293 135 W CA 0.248 57.550 57.345 -0.072 0.000 1.403 135 W CB -1.302 28.111 29.460 -0.079 0.000 1.134 135 W HN -0.122 nan 8.180 nan 0.000 0.666 136 K N 0.862 121.133 120.400 -0.215 0.000 2.404 136 K HA 0.330 4.649 4.320 -0.000 0.000 0.194 136 K C 0.989 177.523 176.600 -0.110 0.000 1.023 136 K CA 0.075 56.298 56.287 -0.107 0.000 1.094 136 K CB 0.028 32.423 32.500 -0.176 0.000 0.841 136 K HN 0.089 nan 8.250 nan 0.000 0.523 137 A N 2.286 125.039 122.820 -0.111 0.000 2.531 137 A HA 0.072 4.392 4.320 -0.000 0.000 0.236 137 A C -1.571 175.912 177.584 -0.169 0.000 1.062 137 A CA -0.979 50.986 52.037 -0.119 0.000 0.760 137 A CB 0.045 19.001 19.000 -0.073 0.000 0.995 137 A HN 0.009 nan 8.150 nan 0.000 0.501 138 P HA -0.161 nan 4.420 nan 0.000 0.216 138 P C 0.568 177.677 177.300 -0.319 0.000 1.154 138 P CA 1.359 64.326 63.100 -0.222 0.000 0.865 138 P CB 0.049 31.620 31.700 -0.215 0.000 0.789 139 L N -2.638 118.243 121.223 -0.571 0.000 3.017 139 L HA 0.350 4.690 4.340 -0.000 0.000 0.255 139 L C 1.906 178.456 176.870 -0.534 0.000 1.247 139 L CA -0.239 54.179 54.840 -0.704 0.000 1.038 139 L CB -0.445 40.885 42.059 -1.215 0.000 1.380 139 L HN -0.112 nan 8.230 nan 0.000 0.548 140 A N 0.691 123.357 122.820 -0.256 0.000 1.896 140 A HA -0.263 4.057 4.320 -0.000 0.000 0.220 140 A C 2.180 179.790 177.584 0.043 0.000 1.206 140 A CA 1.984 54.007 52.037 -0.024 0.000 0.647 140 A CB -0.250 18.773 19.000 0.039 0.000 0.828 140 A HN 0.481 nan 8.150 nan 0.000 0.455 141 E N -0.943 119.257 120.200 0.001 0.000 2.033 141 E HA -0.257 4.093 4.350 -0.000 0.000 0.199 141 E C 2.126 178.769 176.600 0.073 0.000 1.011 141 E CA 1.490 57.912 56.400 0.037 0.000 0.815 141 E CB -0.384 29.319 29.700 0.005 0.000 0.755 141 E HN 0.831 nan 8.360 nan 0.000 0.451 142 E N -0.271 119.948 120.200 0.032 0.000 2.077 142 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 142 E C 1.902 178.670 176.600 0.280 0.000 0.989 142 E CA 1.010 57.474 56.400 0.105 0.000 0.800 142 E CB -0.004 29.721 29.700 0.042 0.000 0.746 142 E HN 0.266 nan 8.360 nan 0.000 0.452 143 W N 1.032 122.375 121.300 0.071 0.000 2.407 143 W HA -0.064 4.596 4.660 -0.000 0.000 0.305 143 W C 2.049 178.637 176.519 0.115 0.000 1.196 143 W CA 0.934 58.332 57.345 0.089 0.000 1.311 143 W CB -1.145 28.368 29.460 0.088 0.000 1.135 143 W HN 0.203 nan 8.180 nan 0.000 0.514 144 D N -0.326 120.282 120.400 0.347 0.000 2.264 144 D HA -0.143 4.496 4.640 -0.000 0.000 0.208 144 D C 1.337 177.762 176.300 0.209 0.000 0.966 144 D CA 0.961 55.122 54.000 0.269 0.000 0.864 144 D CB -0.273 40.667 40.800 0.233 0.000 0.933 144 D HN -0.132 nan 8.370 nan 0.000 0.499 145 N N -0.145 118.663 118.700 0.180 0.000 2.515 145 N HA 0.034 4.774 4.740 -0.000 0.000 0.191 145 N C 0.033 175.621 175.510 0.130 0.000 1.182 145 N CA 0.205 53.336 53.050 0.135 0.000 0.879 145 N CB 0.066 38.617 38.487 0.106 0.000 0.984 145 N HN 0.413 nan 8.380 nan 0.000 0.453 146 M N -0.052 119.641 119.600 0.154 0.000 2.446 146 M HA 0.284 4.764 4.480 -0.000 0.000 0.294 146 M C -0.786 175.589 176.300 0.125 0.000 1.158 146 M CA -0.525 54.851 55.300 0.127 0.000 0.899 146 M CB 2.003 34.684 32.600 0.135 0.000 1.687 146 M HN -0.031 nan 8.290 nan 0.000 0.455 147 T N 0.586 115.195 114.554 0.093 0.000 2.847 147 T HA 0.295 4.644 4.350 -0.000 0.000 0.279 147 T C 0.989 175.720 174.700 0.051 0.000 0.984 147 T CA -0.811 61.340 62.100 0.084 0.000 0.988 147 T CB 0.910 69.820 68.868 0.070 0.000 1.040 147 T HN 0.776 nan 8.240 nan 0.000 0.528 148 M N 0.229 119.840 119.600 0.018 0.000 2.296 148 M HA 0.054 4.534 4.480 -0.000 0.000 0.265 148 M C 2.117 178.379 176.300 -0.064 0.000 1.064 148 M CA 1.431 56.700 55.300 -0.051 0.000 1.109 148 M CB -1.361 31.123 32.600 -0.194 0.000 1.396 148 M HN 0.908 nan 8.290 nan 0.000 0.430 149 K N 0.228 120.603 120.400 -0.042 0.000 2.097 149 K HA -0.121 4.198 4.320 -0.000 0.000 0.205 149 K C 1.785 178.369 176.600 -0.027 0.000 1.050 149 K CA 1.458 57.726 56.287 -0.033 0.000 0.938 149 K CB -0.115 32.396 32.500 0.018 0.000 0.718 149 K HN 0.323 nan 8.250 nan 0.000 0.442 150 E N 0.030 120.227 120.200 -0.005 0.000 2.047 150 E HA -0.171 4.179 4.350 -0.000 0.000 0.191 150 E C 1.904 178.498 176.600 -0.009 0.000 0.987 150 E CA 1.186 57.584 56.400 -0.002 0.000 0.799 150 E CB -0.108 29.605 29.700 0.022 0.000 0.752 150 E HN 0.286 nan 8.360 nan 0.000 0.449 151 L N 1.084 122.303 121.223 -0.007 0.000 2.046 151 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 151 L C 2.030 178.894 176.870 -0.009 0.000 1.077 151 L CA 1.524 56.356 54.840 -0.014 0.000 0.747 151 L CB -0.443 41.595 42.059 -0.035 0.000 0.896 151 L HN 0.130 nan 8.230 nan 0.000 0.432 152 L N -0.690 120.520 121.223 -0.022 0.000 2.017 152 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 152 L C 2.292 179.121 176.870 -0.069 0.000 1.073 152 L CA 1.478 56.290 54.840 -0.047 0.000 0.745 152 L CB -0.983 41.014 42.059 -0.104 0.000 0.894 152 L HN 0.253 nan 8.230 nan 0.000 0.432 153 D N 0.049 120.406 120.400 -0.072 0.000 2.190 153 D HA -0.221 4.419 4.640 -0.000 0.000 0.200 153 D C 2.132 178.368 176.300 -0.106 0.000 0.992 153 D CA 1.312 55.256 54.000 -0.093 0.000 0.854 153 D CB 0.007 40.760 40.800 -0.079 0.000 0.936 153 D HN 0.250 nan 8.370 nan 0.000 0.462 154 K N -0.530 119.833 120.400 -0.061 0.000 2.166 154 K HA 0.005 4.325 4.320 -0.000 0.000 0.201 154 K C 1.810 178.414 176.600 0.007 0.000 1.052 154 K CA 0.150 56.411 56.287 -0.043 0.000 0.969 154 K CB 0.109 32.610 32.500 0.001 0.000 0.761 154 K HN -0.031 nan 8.250 nan 0.000 0.459 155 L N 0.507 121.754 121.223 0.040 0.000 2.307 155 L HA 0.103 4.443 4.340 -0.000 0.000 0.211 155 L C -0.193 176.787 176.870 0.183 0.000 1.099 155 L CA 0.685 55.598 54.840 0.121 0.000 0.816 155 L CB 0.418 42.541 42.059 0.108 0.000 0.952 155 L HN 0.107 nan 8.230 nan 0.000 0.455 156 C N -0.869 118.474 119.300 0.072 0.000 2.264 156 C HA 0.193 4.652 4.460 -0.000 0.000 0.324 156 C C 0.753 175.791 174.990 0.080 0.000 1.267 156 C CA -0.933 58.118 59.018 0.055 0.000 1.618 156 C CB -0.556 27.113 27.740 -0.120 0.000 2.278 156 C HN 0.550 nan 8.230 nan 0.000 0.499 157 W N 1.824 123.092 121.300 -0.053 0.000 3.003 157 W HA 0.110 4.770 4.660 -0.000 0.000 0.257 157 W C 1.458 177.961 176.519 -0.026 0.000 1.308 157 W CA 0.200 57.527 57.345 -0.031 0.000 1.529 157 W CB -0.148 29.303 29.460 -0.015 0.000 1.115 157 W HN 0.661 nan 8.180 nan 0.000 0.659 158 T N -3.218 111.423 114.554 0.145 0.000 2.856 158 T HA 0.286 4.636 4.350 -0.000 0.000 0.283 158 T C 0.884 175.593 174.700 0.015 0.000 1.008 158 T CA -0.631 61.521 62.100 0.087 0.000 0.997 158 T CB 2.567 71.506 68.868 0.118 0.000 0.992 158 T HN -0.191 nan 8.240 nan 0.000 0.454 159 E N 1.367 121.575 120.200 0.014 0.000 2.118 159 E HA -0.154 4.196 4.350 -0.000 0.000 0.195 159 E C 2.270 178.869 176.600 -0.000 0.000 0.992 159 E CA 1.637 58.032 56.400 -0.009 0.000 0.804 159 E CB -0.399 29.302 29.700 0.002 0.000 0.741 159 E HN 0.830 nan 8.360 nan 0.000 0.458 160 S N 0.570 116.305 115.700 0.058 0.000 2.383 160 S HA -0.142 4.328 4.470 -0.000 0.000 0.229 160 S C 2.100 176.742 174.600 0.070 0.000 1.030 160 S CA 1.462 59.740 58.200 0.130 0.000 1.002 160 S CB -0.025 63.308 63.200 0.222 0.000 0.829 160 S HN 0.248 nan 8.310 nan 0.000 0.467 161 A N 1.157 123.911 122.820 -0.110 0.000 1.930 161 A HA 0.136 4.456 4.320 -0.000 0.000 0.215 161 A C 2.208 179.477 177.584 -0.525 0.000 1.176 161 A CA 1.326 53.017 52.037 -0.576 0.000 0.632 161 A CB -0.644 18.013 19.000 -0.571 0.000 0.819 161 A HN 0.606 nan 8.150 nan 0.000 0.445 162 K N -0.434 119.779 120.400 -0.312 0.000 2.103 162 K HA -0.185 4.134 4.320 -0.000 0.000 0.207 162 K C 2.264 178.721 176.600 -0.239 0.000 1.048 162 K CA 1.657 57.774 56.287 -0.282 0.000 0.930 162 K CB -0.139 32.262 32.500 -0.165 0.000 0.716 162 K HN 0.612 nan 8.250 nan 0.000 0.444 163 Q N 0.024 119.735 119.800 -0.149 0.000 2.083 163 Q HA -0.150 4.190 4.340 -0.000 0.000 0.198 163 Q C 2.099 178.074 176.000 -0.043 0.000 0.969 163 Q CA 0.949 56.716 55.803 -0.060 0.000 0.838 163 Q CB -0.024 28.721 28.738 0.012 0.000 0.900 163 Q HN 0.201 nan 8.270 nan 0.000 0.436 164 L N 0.682 121.856 121.223 -0.081 0.000 2.056 164 L HA -0.082 4.258 4.340 -0.000 0.000 0.207 164 L C 2.163 178.976 176.870 -0.095 0.000 1.078 164 L CA 1.917 56.751 54.840 -0.010 0.000 0.749 164 L CB -0.888 41.188 42.059 0.029 0.000 0.901 164 L HN 0.105 nan 8.230 nan 0.000 0.433 165 A N -1.490 121.050 122.820 -0.466 0.000 1.865 165 A HA -0.252 4.068 4.320 -0.000 0.000 0.217 165 A C 2.270 179.775 177.584 -0.131 0.000 1.191 165 A CA 2.531 54.236 52.037 -0.553 0.000 0.623 165 A CB -1.321 16.953 19.000 -1.209 0.000 0.826 165 A HN 0.483 nan 8.150 nan 0.000 0.444 166 T N 0.164 114.618 114.554 -0.167 0.000 2.624 166 T HA -0.221 4.129 4.350 -0.000 0.000 0.268 166 T C 1.853 176.543 174.700 -0.016 0.000 1.041 166 T CA 1.666 63.707 62.100 -0.099 0.000 1.159 166 T CB -0.505 68.319 68.868 -0.073 0.000 0.863 166 T HN 0.389 nan 8.240 nan 0.000 0.434 167 L N 0.117 121.377 121.223 0.063 0.000 2.042 167 L HA -0.098 4.242 4.340 -0.000 0.000 0.210 167 L C 2.236 179.226 176.870 0.199 0.000 1.076 167 L CA 1.544 56.465 54.840 0.135 0.000 0.749 167 L CB -0.397 41.777 42.059 0.191 0.000 0.893 167 L HN 0.228 nan 8.230 nan 0.000 0.432 168 F N -0.475 119.532 119.950 0.096 0.000 2.126 168 F HA -0.199 4.328 4.527 -0.000 0.000 0.299 168 F C 2.045 177.951 175.800 0.177 0.000 1.096 168 F CA 1.905 60.029 58.000 0.205 0.000 1.255 168 F CB -0.762 38.453 39.000 0.358 0.000 0.997 168 F HN -0.120 nan 8.300 nan 0.000 0.479 169 V N 1.041 120.826 119.914 -0.216 0.000 2.270 169 V HA -0.322 3.798 4.120 -0.000 0.000 0.245 169 V C 2.087 178.029 176.094 -0.253 0.000 1.043 169 V CA 2.316 64.312 62.300 -0.507 0.000 1.014 169 V CB -1.038 30.365 31.823 -0.700 0.000 0.645 169 V HN 0.370 nan 8.190 nan 0.000 0.447 170 N N 0.120 118.727 118.700 -0.155 0.000 2.091 170 N HA -0.257 4.483 4.740 -0.000 0.000 0.193 170 N C 1.688 177.156 175.510 -0.069 0.000 1.021 170 N CA 1.523 54.511 53.050 -0.103 0.000 0.862 170 N CB -0.231 38.236 38.487 -0.033 0.000 1.018 170 N HN 0.313 nan 8.380 nan 0.000 0.429 171 L N 0.466 121.689 121.223 0.001 0.000 2.131 171 L HA 0.041 4.381 4.340 -0.000 0.000 0.206 171 L C 1.988 178.911 176.870 0.089 0.000 1.087 171 L CA 1.329 56.192 54.840 0.038 0.000 0.767 171 L CB -0.574 41.518 42.059 0.056 0.000 0.917 171 L HN 0.231 nan 8.230 nan 0.000 0.441 172 C N -1.342 118.013 119.300 0.092 0.000 2.446 172 C HA -0.021 4.439 4.460 -0.000 0.000 0.277 172 C C 2.310 177.435 174.990 0.224 0.000 1.275 172 C CA 1.053 60.192 59.018 0.202 0.000 1.727 172 C CB -0.459 27.369 27.740 0.145 0.000 2.010 172 C HN 0.559 nan 8.230 nan 0.000 0.486 173 V N -2.278 117.665 119.914 0.049 0.000 3.398 173 V HA 0.299 4.419 4.120 -0.000 0.000 0.298 173 V C 0.755 176.730 176.094 -0.198 0.000 1.496 173 V CA 0.879 63.165 62.300 -0.023 0.000 1.044 173 V CB -1.220 30.691 31.823 0.146 0.000 0.880 173 V HN 0.523 nan 8.190 nan 0.000 0.443 174 T N -1.575 112.802 114.554 -0.294 0.000 4.096 174 T HA -0.058 4.292 4.350 -0.000 0.000 0.343 174 T C 0.069 174.592 174.700 -0.295 0.000 0.756 174 T CA 1.278 63.165 62.100 -0.354 0.000 1.914 174 T CB -2.665 65.867 68.868 -0.561 0.000 1.873 174 T HN 2.460 nan 8.240 nan 0.000 0.850 175 A N -0.461 122.171 122.820 -0.313 0.000 2.594 175 A HA 0.741 5.061 4.320 -0.000 0.000 0.291 175 A C -0.398 176.960 177.584 -0.376 0.000 1.105 175 A CA -1.038 50.732 52.037 -0.445 0.000 0.694 175 A CB 1.235 19.750 19.000 -0.807 0.000 1.291 175 A HN 0.322 nan 8.150 nan 0.000 0.410 176 E N 0.282 120.220 120.200 -0.436 0.000 2.371 176 E HA 0.256 4.606 4.350 -0.000 0.000 0.257 176 E C 1.232 177.561 176.600 -0.451 0.000 1.134 176 E CA 0.546 56.684 56.400 -0.436 0.000 0.919 176 E CB 0.755 30.037 29.700 -0.697 0.000 1.025 176 E HN 0.792 nan 8.360 nan 0.000 0.438 177 T N -1.672 112.686 114.554 -0.326 0.000 2.821 177 T HA -0.176 4.174 4.350 -0.000 0.000 0.267 177 T C 1.469 176.056 174.700 -0.187 0.000 1.046 177 T CA 1.504 63.449 62.100 -0.258 0.000 1.139 177 T CB -0.373 68.386 68.868 -0.182 0.000 0.871 177 T HN 0.605 nan 8.240 nan 0.000 0.454 178 H N 0.941 119.951 119.070 -0.099 0.000 2.559 178 H HA 0.209 4.765 4.556 -0.000 0.000 0.273 178 H C 1.381 176.680 175.328 -0.047 0.000 1.000 178 H CA 0.892 56.902 56.048 -0.064 0.000 1.195 178 H CB -0.243 29.483 29.762 -0.060 0.000 1.368 178 H HN 0.517 nan 8.280 nan 0.000 0.592 179 E N 1.241 121.208 120.200 -0.390 0.000 2.318 179 E HA 0.052 4.402 4.350 -0.000 0.000 0.193 179 E C 0.738 177.316 176.600 -0.036 0.000 0.998 179 E CA 0.481 56.746 56.400 -0.226 0.000 0.859 179 E CB 0.786 30.221 29.700 -0.442 0.000 0.812 179 E HN 0.377 nan 8.360 nan 0.000 0.492 180 V N -0.867 119.018 119.914 -0.049 0.000 2.715 180 V HA 0.434 4.554 4.120 -0.000 0.000 0.310 180 V C -0.090 176.130 176.094 0.210 0.000 1.054 180 V CA -1.217 61.158 62.300 0.125 0.000 0.928 180 V CB 1.838 33.766 31.823 0.174 0.000 1.007 180 V HN -0.001 nan 8.190 nan 0.000 0.437 181 S N 3.630 119.520 115.700 0.318 0.000 2.531 181 S HA 0.499 4.969 4.470 -0.000 0.000 0.279 181 S C 1.465 176.297 174.600 0.387 0.000 1.305 181 S CA 0.161 58.555 58.200 0.324 0.000 1.058 181 S CB 1.002 64.415 63.200 0.354 0.000 0.899 181 S HN 1.881 nan 8.310 nan 0.000 0.493 182 A N 4.844 127.823 122.820 0.265 0.000 1.892 182 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 182 A C 2.056 179.798 177.584 0.264 0.000 1.188 182 A CA 1.916 54.082 52.037 0.215 0.000 0.631 182 A CB -1.100 17.950 19.000 0.083 0.000 0.822 182 A HN 1.109 nan 8.150 nan 0.000 0.447 183 L N -1.485 119.934 121.223 0.327 0.000 2.012 183 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 183 L C 2.252 179.343 176.870 0.368 0.000 1.073 183 L CA 2.681 57.743 54.840 0.370 0.000 0.748 183 L CB -0.804 41.494 42.059 0.398 0.000 0.891 183 L HN 0.660 nan 8.230 nan 0.000 0.431 184 W N -0.449 120.997 121.300 0.243 0.000 2.355 184 W HA -0.291 4.369 4.660 -0.000 0.000 0.309 184 W C 2.357 179.108 176.519 0.387 0.000 1.206 184 W CA 1.976 59.477 57.345 0.261 0.000 1.284 184 W CB -0.762 28.822 29.460 0.206 0.000 1.145 184 W HN 0.292 nan 8.180 nan 0.000 0.502 185 F N 1.024 121.062 119.950 0.148 0.000 2.091 185 F HA -0.250 4.276 4.527 -0.000 0.000 0.299 185 F C 2.124 177.813 175.800 -0.186 0.000 1.103 185 F CA 2.405 60.269 58.000 -0.228 0.000 1.228 185 F CB -0.807 38.186 39.000 -0.011 0.000 0.984 185 F HN -0.132 nan 8.300 nan 0.000 0.477 186 L N -1.513 119.679 121.223 -0.051 0.000 2.083 186 L HA -0.212 4.128 4.340 -0.000 0.000 0.209 186 L C 2.279 179.046 176.870 -0.172 0.000 1.083 186 L CA 1.538 56.291 54.840 -0.146 0.000 0.752 186 L CB -1.011 40.995 42.059 -0.089 0.000 0.899 186 L HN 0.438 nan 8.230 nan 0.000 0.433 187 W N 0.138 121.285 121.300 -0.256 0.000 2.333 187 W HA -0.318 4.342 4.660 -0.000 0.000 0.316 187 W C 2.643 178.935 176.519 -0.378 0.000 1.215 187 W CA 1.627 58.813 57.345 -0.264 0.000 1.278 187 W CB -0.731 28.605 29.460 -0.208 0.000 1.154 187 W HN 0.104 nan 8.180 nan 0.000 0.486 188 Y N 0.774 120.569 120.300 -0.842 0.000 2.069 188 Y HA -0.359 4.191 4.550 -0.000 0.000 0.278 188 Y C 2.456 177.796 175.900 -0.934 0.000 1.175 188 Y CA 3.246 60.666 58.100 -1.133 0.000 1.134 188 Y CB -1.004 36.752 38.460 -1.174 0.000 0.965 188 Y HN -0.132 nan 8.280 nan 0.000 0.498 189 V N 0.849 120.318 119.914 -0.741 0.000 2.343 189 V HA -0.320 3.799 4.120 -0.000 0.000 0.247 189 V C 2.278 178.033 176.094 -0.565 0.000 1.051 189 V CA 2.409 64.359 62.300 -0.583 0.000 1.036 189 V CB -0.827 30.740 31.823 -0.427 0.000 0.654 189 V HN 0.492 nan 8.190 nan 0.000 0.451 190 K N 1.920 122.006 120.400 -0.524 0.000 2.148 190 K HA -0.242 4.077 4.320 -0.000 0.000 0.204 190 K C 1.916 178.172 176.600 -0.572 0.000 1.050 190 K CA 1.884 57.905 56.287 -0.443 0.000 0.942 190 K CB -0.468 31.856 32.500 -0.294 0.000 0.724 190 K HN 0.590 nan 8.250 nan 0.000 0.446 191 Q N -0.366 118.945 119.800 -0.815 0.000 2.515 191 Q HA 0.042 4.382 4.340 -0.000 0.000 0.212 191 Q C 1.071 176.481 176.000 -0.984 0.000 0.970 191 Q CA 0.993 56.310 55.803 -0.810 0.000 0.941 191 Q CB -0.289 27.818 28.738 -1.052 0.000 0.998 191 Q HN 0.359 nan 8.270 nan 0.000 0.518 192 C N -0.926 117.677 119.300 -1.161 0.000 2.865 192 C HA 0.630 5.090 4.460 -0.000 0.000 0.280 192 C C 1.486 175.683 174.990 -1.322 0.000 1.255 192 C CA 0.100 58.006 59.018 -1.854 0.000 1.705 192 C CB -0.193 26.398 27.740 -1.915 0.000 2.080 192 C HN 0.770 nan 8.230 nan 0.000 0.591 193 G N -0.037 108.330 108.800 -0.721 0.000 2.148 193 G HA2 0.420 4.380 3.960 -0.000 0.000 0.120 193 G HA3 0.420 4.380 3.960 -0.000 0.000 0.120 193 G C 0.372 175.099 174.900 -0.289 0.000 1.034 193 G CA -0.049 44.811 45.100 -0.400 0.000 0.710 193 G HN 1.494 nan 8.290 nan 0.000 0.495 194 G N -1.333 107.279 108.800 -0.314 0.000 2.760 194 G HA2 0.220 4.180 3.960 -0.000 0.000 0.246 194 G HA3 0.220 4.180 3.960 -0.000 0.000 0.246 194 G C 1.208 176.024 174.900 -0.139 0.000 1.359 194 G CA 0.987 45.967 45.100 -0.200 0.000 0.861 194 G HN 1.837 nan 8.290 nan 0.000 0.541 195 T N -3.033 111.489 114.554 -0.055 0.000 2.674 195 T HA -0.135 4.215 4.350 -0.000 0.000 0.265 195 T C 2.368 176.982 174.700 -0.143 0.000 1.039 195 T CA 2.952 65.036 62.100 -0.027 0.000 1.150 195 T CB -0.981 67.938 68.868 0.085 0.000 0.864 195 T HN 1.031 nan 8.240 nan 0.000 0.427 196 T N 1.354 115.848 114.554 -0.099 0.000 2.665 196 T HA -0.106 4.244 4.350 -0.000 0.000 0.268 196 T C 2.141 176.756 174.700 -0.141 0.000 1.035 196 T CA 1.764 63.786 62.100 -0.131 0.000 1.151 196 T CB -0.361 68.493 68.868 -0.023 0.000 0.862 196 T HN 0.337 nan 8.240 nan 0.000 0.438 197 R N 0.756 121.195 120.500 -0.102 0.000 2.081 197 R HA 0.128 4.468 4.340 -0.000 0.000 0.235 197 R C 2.232 178.526 176.300 -0.009 0.000 1.131 197 R CA 1.235 57.302 56.100 -0.055 0.000 0.960 197 R CB -0.826 29.431 30.300 -0.073 0.000 0.856 197 R HN 0.464 nan 8.270 nan 0.000 0.436 198 I N 0.382 120.917 120.570 -0.057 0.000 2.315 198 I HA -0.181 3.989 4.170 -0.000 0.000 0.248 198 I C 1.850 178.001 176.117 0.056 0.000 1.117 198 I CA 1.287 62.612 61.300 0.043 0.000 1.404 198 I CB 0.007 38.024 38.000 0.028 0.000 1.071 198 I HN 0.353 nan 8.210 nan 0.000 0.419 199 I N -2.364 118.159 120.570 -0.078 0.000 2.876 199 I HA 0.035 4.205 4.170 -0.000 0.000 0.264 199 I C 1.061 177.069 176.117 -0.182 0.000 1.204 199 I CA 0.192 61.391 61.300 -0.169 0.000 1.485 199 I CB -0.315 37.424 38.000 -0.436 0.000 1.103 199 I HN -0.084 nan 8.210 nan 0.000 0.446 200 S N 1.685 117.280 115.700 -0.174 0.000 2.549 200 S HA 0.145 4.615 4.470 -0.000 0.000 0.279 200 S C 1.017 175.565 174.600 -0.086 0.000 1.321 200 S CA -0.105 58.007 58.200 -0.147 0.000 1.054 200 S CB 1.355 64.478 63.200 -0.128 0.000 0.899 200 S HN 0.358 nan 8.310 nan 0.000 0.497 201 T N 2.962 117.470 114.554 -0.077 0.000 2.697 201 T HA -0.013 4.337 4.350 -0.000 0.000 0.244 201 T C 0.835 175.493 174.700 -0.070 0.000 1.090 201 T CA 0.808 62.863 62.100 -0.075 0.000 1.255 201 T CB -0.285 68.542 68.868 -0.070 0.000 0.931 201 T HN 0.581 nan 8.240 nan 0.000 0.406 202 T N 3.206 117.724 114.554 -0.059 0.000 2.908 202 T HA 0.102 4.452 4.350 -0.000 0.000 0.301 202 T C 0.642 175.314 174.700 -0.047 0.000 1.019 202 T CA 0.366 62.438 62.100 -0.047 0.000 1.152 202 T CB -0.183 68.665 68.868 -0.034 0.000 0.966 202 T HN 0.544 nan 8.240 nan 0.000 0.540 203 N N 1.146 119.821 118.700 -0.043 0.000 2.735 203 N HA -0.155 4.585 4.740 -0.000 0.000 0.248 203 N C 0.067 175.555 175.510 -0.036 0.000 1.083 203 N CA 1.315 54.343 53.050 -0.036 0.000 0.703 203 N CB -1.005 37.467 38.487 -0.025 0.000 1.005 203 N HN 0.965 nan 8.380 nan 0.000 0.550 204 G N -3.014 105.757 108.800 -0.048 0.000 2.753 204 G HA2 0.538 4.498 3.960 -0.000 0.000 0.303 204 G HA3 0.538 4.498 3.960 -0.000 0.000 0.303 204 G C 0.916 175.778 174.900 -0.064 0.000 1.242 204 G CA 0.003 45.087 45.100 -0.026 0.000 0.810 204 G HN 0.336 nan 8.290 nan 0.000 0.515 205 G N -0.803 107.984 108.800 -0.021 0.000 2.448 205 G HA2 0.032 3.992 3.960 -0.000 0.000 0.219 205 G HA3 0.032 3.992 3.960 -0.000 0.000 0.219 205 G C 1.165 175.992 174.900 -0.121 0.000 1.127 205 G CA 1.179 46.196 45.100 -0.139 0.000 0.766 205 G HN 0.411 nan 8.290 nan 0.000 0.552 206 Q N -0.418 119.327 119.800 -0.092 0.000 2.188 206 Q HA 0.281 4.621 4.340 -0.000 0.000 0.212 206 Q C 1.589 177.530 176.000 -0.100 0.000 0.846 206 Q CA -0.129 55.591 55.803 -0.139 0.000 0.989 206 Q CB 0.766 29.323 28.738 -0.301 0.000 1.114 206 Q HN 0.628 nan 8.270 nan 0.000 0.488 207 E N 0.945 121.086 120.200 -0.098 0.000 2.070 207 E HA -0.157 4.193 4.350 -0.000 0.000 0.197 207 E C -0.067 176.467 176.600 -0.109 0.000 1.004 207 E CA 1.003 57.346 56.400 -0.096 0.000 0.805 207 E CB 0.394 30.033 29.700 -0.102 0.000 0.744 207 E HN 0.221 nan 8.360 nan 0.000 0.451 208 R N -1.078 119.333 120.500 -0.149 0.000 2.817 208 R HA 0.492 4.832 4.340 -0.000 0.000 0.268 208 R C -0.831 175.233 176.300 -0.394 0.000 1.027 208 R CA -0.866 55.059 56.100 -0.292 0.000 0.928 208 R CB 1.787 31.898 30.300 -0.314 0.000 1.228 208 R HN -0.163 nan 8.270 nan 0.000 0.469 209 K N 0.731 120.731 120.400 -0.667 0.000 2.433 209 K HA 0.429 4.749 4.320 -0.000 0.000 0.252 209 K C -1.073 175.192 176.600 -0.558 0.000 1.015 209 K CA -0.798 55.099 56.287 -0.650 0.000 0.860 209 K CB 1.668 33.825 32.500 -0.573 0.000 1.359 209 K HN 0.248 nan 8.250 nan 0.000 0.452 210 F N 1.123 121.018 119.950 -0.093 0.000 2.410 210 F HA 0.136 4.663 4.527 -0.000 0.000 0.348 210 F C 0.618 176.498 175.800 0.133 0.000 1.106 210 F CA -0.979 57.023 58.000 0.004 0.000 1.163 210 F CB 1.089 40.068 39.000 -0.035 0.000 1.129 210 F HN 0.023 nan 8.300 nan 0.000 0.516 211 V N 3.887 124.025 119.914 0.374 0.000 2.509 211 V HA 0.192 4.312 4.120 -0.000 0.000 0.297 211 V C 0.973 177.008 176.094 -0.097 0.000 1.014 211 V CA 1.366 63.804 62.300 0.230 0.000 1.127 211 V CB -0.036 31.881 31.823 0.156 0.000 0.925 211 V HN 1.125 nan 8.190 nan 0.000 0.480 212 G N 3.051 111.463 108.800 -0.646 0.000 2.213 212 G HA2 0.186 4.146 3.960 -0.000 0.000 0.236 212 G HA3 0.186 4.146 3.960 -0.000 0.000 0.236 212 G C 0.790 175.243 174.900 -0.745 0.000 0.991 212 G CA -0.065 44.378 45.100 -1.095 0.000 0.629 212 G HN 2.406 nan 8.290 nan 0.000 0.517 213 G N -1.646 106.998 108.800 -0.260 0.000 2.497 213 G HA2 0.418 4.377 3.960 -0.000 0.000 0.686 213 G HA3 0.418 4.377 3.960 -0.000 0.000 0.686 213 G C 0.673 175.609 174.900 0.061 0.000 1.288 213 G CA 0.887 45.993 45.100 0.011 0.000 0.899 213 G HN 1.855 nan 8.290 nan 0.000 0.608 214 S N -1.038 114.724 115.700 0.104 0.000 2.497 214 S HA 0.308 4.778 4.470 -0.000 0.000 0.218 214 S C 2.470 177.071 174.600 0.002 0.000 1.023 214 S CA 1.278 59.521 58.200 0.070 0.000 0.913 214 S CB 0.404 63.724 63.200 0.201 0.000 0.800 214 S HN 2.173 nan 8.310 nan 0.000 0.505 215 G N 1.934 110.762 108.800 0.047 0.000 2.507 215 G HA2 -0.273 3.686 3.960 -0.000 0.000 0.221 215 G HA3 -0.273 3.686 3.960 -0.000 0.000 0.221 215 G C 1.431 176.327 174.900 -0.006 0.000 1.119 215 G CA 1.044 46.180 45.100 0.060 0.000 0.751 215 G HN 0.597 nan 8.290 nan 0.000 0.574 216 Q N -0.337 119.428 119.800 -0.059 0.000 2.173 216 Q HA -0.146 4.194 4.340 -0.000 0.000 0.208 216 Q C 2.840 178.764 176.000 -0.128 0.000 0.989 216 Q CA 1.572 57.313 55.803 -0.103 0.000 0.872 216 Q CB -0.340 28.309 28.738 -0.148 0.000 0.909 216 Q HN 0.451 nan 8.270 nan 0.000 0.420 217 V N 0.830 120.638 119.914 -0.175 0.000 2.255 217 V HA -0.303 3.817 4.120 -0.000 0.000 0.247 217 V C 2.262 178.296 176.094 -0.099 0.000 1.051 217 V CA 2.272 64.460 62.300 -0.186 0.000 1.018 217 V CB -0.724 30.966 31.823 -0.222 0.000 0.641 217 V HN 0.446 nan 8.190 nan 0.000 0.445 218 S N -0.967 114.700 115.700 -0.055 0.000 2.436 218 S HA -0.118 4.352 4.470 -0.000 0.000 0.228 218 S C 1.782 176.364 174.600 -0.029 0.000 1.014 218 S CA 0.982 59.164 58.200 -0.029 0.000 0.950 218 S CB -0.248 62.952 63.200 0.001 0.000 0.784 218 S HN 0.641 nan 8.310 nan 0.000 0.504 219 E N 1.599 121.783 120.200 -0.026 0.000 2.038 219 E HA -0.077 4.273 4.350 -0.000 0.000 0.195 219 E C 2.410 178.986 176.600 -0.040 0.000 1.000 219 E CA 1.067 57.453 56.400 -0.023 0.000 0.803 219 E CB -0.055 29.633 29.700 -0.019 0.000 0.750 219 E HN 0.409 nan 8.360 nan 0.000 0.448 220 R N 0.064 120.530 120.500 -0.056 0.000 2.115 220 R HA -0.069 4.271 4.340 -0.000 0.000 0.230 220 R C 2.370 178.635 176.300 -0.059 0.000 1.111 220 R CA 0.900 56.965 56.100 -0.059 0.000 0.976 220 R CB -0.221 30.035 30.300 -0.073 0.000 0.870 220 R HN 0.274 nan 8.270 nan 0.000 0.445 221 I N 0.734 121.267 120.570 -0.061 0.000 2.226 221 I HA -0.307 3.863 4.170 -0.000 0.000 0.245 221 I C 2.683 178.756 176.117 -0.074 0.000 1.100 221 I CA 1.193 62.453 61.300 -0.066 0.000 1.374 221 I CB -0.217 37.749 38.000 -0.058 0.000 1.057 221 I HN 0.214 nan 8.210 nan 0.000 0.413 222 M N 0.805 120.370 119.600 -0.058 0.000 2.202 222 M HA -0.247 4.233 4.480 -0.000 0.000 0.262 222 M C 1.558 177.822 176.300 -0.060 0.000 1.063 222 M CA 1.923 57.189 55.300 -0.056 0.000 1.097 222 M CB -0.179 32.399 32.600 -0.036 0.000 1.382 222 M HN 0.135 nan 8.290 nan 0.000 0.413 223 D N 0.724 121.092 120.400 -0.054 0.000 2.097 223 D HA -0.120 4.520 4.640 -0.000 0.000 0.197 223 D C 2.012 178.275 176.300 -0.061 0.000 0.984 223 D CA 1.381 55.353 54.000 -0.047 0.000 0.826 223 D CB -0.465 40.312 40.800 -0.038 0.000 0.973 223 D HN 0.430 nan 8.370 nan 0.000 0.460 224 L N 0.206 121.381 121.223 -0.080 0.000 2.265 224 L HA -0.085 4.255 4.340 -0.000 0.000 0.215 224 L C 2.027 178.784 176.870 -0.188 0.000 1.117 224 L CA 0.527 55.304 54.840 -0.104 0.000 0.782 224 L CB -0.145 41.851 42.059 -0.104 0.000 0.914 224 L HN 0.035 nan 8.230 nan 0.000 0.441 225 L N -1.235 119.874 121.223 -0.189 0.000 2.640 225 L HA 0.245 4.585 4.340 -0.000 0.000 0.230 225 L C 1.612 178.413 176.870 -0.116 0.000 1.123 225 L CA 0.150 54.845 54.840 -0.241 0.000 0.900 225 L CB -0.450 41.484 42.059 -0.209 0.000 1.146 225 L HN 0.371 nan 8.230 nan 0.000 0.484 226 G N 2.308 111.065 108.800 -0.072 0.000 2.627 226 G HA2 -0.434 3.526 3.960 -0.000 0.000 0.312 226 G HA3 -0.434 3.526 3.960 -0.000 0.000 0.312 226 G C 0.690 175.577 174.900 -0.023 0.000 1.299 226 G CA 0.568 45.649 45.100 -0.032 0.000 0.989 226 G HN 0.552 nan 8.290 nan 0.000 0.547 227 D N 0.710 121.107 120.400 -0.004 0.000 2.392 227 D HA -0.043 4.597 4.640 -0.000 0.000 0.228 227 D C 2.072 178.379 176.300 0.012 0.000 1.003 227 D CA 0.945 54.950 54.000 0.007 0.000 0.917 227 D CB -0.273 40.539 40.800 0.019 0.000 0.890 227 D HN 0.589 nan 8.370 nan 0.000 0.532 228 R N -0.053 120.446 120.500 -0.001 0.000 2.189 228 R HA 0.061 4.401 4.340 -0.000 0.000 0.223 228 R C 0.413 176.704 176.300 -0.014 0.000 1.092 228 R CA 0.236 56.339 56.100 0.005 0.000 0.989 228 R CB 0.282 30.578 30.300 -0.006 0.000 0.876 228 R HN 0.060 nan 8.270 nan 0.000 0.457 229 V N 2.887 122.783 119.914 -0.029 0.000 2.461 229 V HA 0.085 4.205 4.120 -0.000 0.000 0.275 229 V C -0.204 175.871 176.094 -0.031 0.000 1.047 229 V CA -0.168 62.108 62.300 -0.040 0.000 0.955 229 V CB 1.456 33.254 31.823 -0.042 0.000 0.988 229 V HN 0.060 nan 8.190 nan 0.000 0.471 230 K N 6.701 127.070 120.400 -0.051 0.000 2.404 230 K HA 0.500 4.820 4.320 -0.000 0.000 0.257 230 K C -0.534 176.033 176.600 -0.055 0.000 1.026 230 K CA -0.342 55.924 56.287 -0.035 0.000 0.951 230 K CB 1.406 33.889 32.500 -0.028 0.000 1.203 230 K HN 0.484 nan 8.250 nan 0.000 0.446 231 L N 1.115 122.314 121.223 -0.039 0.000 2.474 231 L HA 0.057 4.397 4.340 -0.000 0.000 0.259 231 L C 0.892 177.730 176.870 -0.053 0.000 1.232 231 L CA -0.048 54.762 54.840 -0.050 0.000 0.821 231 L CB -0.082 41.956 42.059 -0.035 0.000 1.108 231 L HN 0.699 nan 8.230 nan 0.000 0.495 232 E N -0.160 119.995 120.200 -0.074 0.000 2.539 232 E HA -0.229 4.121 4.350 -0.000 0.000 0.253 232 E C -0.587 175.963 176.600 -0.083 0.000 1.145 232 E CA 0.465 56.819 56.400 -0.078 0.000 0.738 232 E CB -0.495 29.179 29.700 -0.043 0.000 1.308 232 E HN 0.303 nan 8.360 nan 0.000 0.409 233 R N 0.087 120.520 120.500 -0.112 0.000 2.564 233 R HA 0.275 4.614 4.340 -0.000 0.000 0.282 233 R C -2.734 173.478 176.300 -0.146 0.000 1.573 233 R CA -2.054 53.986 56.100 -0.100 0.000 1.588 233 R CB 0.767 31.014 30.300 -0.089 0.000 1.154 233 R HN -0.039 nan 8.270 nan 0.000 0.606 234 P HA 0.069 nan 4.420 nan 0.000 0.282 234 P C -0.243 177.016 177.300 -0.068 0.000 1.274 234 P CA -0.301 62.690 63.100 -0.182 0.000 0.770 234 P CB 1.019 32.610 31.700 -0.181 0.000 0.867 235 V N 5.562 125.445 119.914 -0.052 0.000 2.585 235 V HA -0.009 4.111 4.120 -0.000 0.000 0.296 235 V C 1.745 177.852 176.094 0.021 0.000 1.035 235 V CA 0.650 62.940 62.300 -0.017 0.000 1.084 235 V CB 0.064 31.870 31.823 -0.028 0.000 0.953 235 V HN 0.537 nan 8.190 nan 0.000 0.483 236 I N 1.844 122.436 120.570 0.037 0.000 4.403 236 I HA 0.459 4.629 4.170 -0.000 0.000 0.331 236 I C -0.038 176.148 176.117 0.115 0.000 1.327 236 I CA -0.006 61.336 61.300 0.070 0.000 1.175 236 I CB 0.531 38.554 38.000 0.038 0.000 1.165 236 I HN 0.493 nan 8.210 nan 0.000 0.413 237 Y N 1.671 121.912 120.300 -0.098 0.000 2.390 237 Y HA 0.691 5.241 4.550 -0.000 0.000 0.324 237 Y C -1.849 173.965 175.900 -0.144 0.000 1.151 237 Y CA -1.191 56.836 58.100 -0.122 0.000 1.053 237 Y CB 1.593 40.016 38.460 -0.062 0.000 1.277 237 Y HN -0.017 nan 8.280 nan 0.000 0.432 238 I N 5.694 125.865 120.570 -0.666 0.000 2.465 238 I HA 0.337 4.507 4.170 -0.000 0.000 0.291 238 I C -1.364 174.400 176.117 -0.589 0.000 1.014 238 I CA -0.649 60.371 61.300 -0.468 0.000 1.093 238 I CB 1.828 39.658 38.000 -0.283 0.000 1.267 238 I HN 0.547 nan 8.210 nan 0.000 0.431 239 D N 5.589 125.768 120.400 -0.368 0.000 2.549 239 D HA 0.280 4.920 4.640 -0.000 0.000 0.251 239 D C -0.377 175.889 176.300 -0.057 0.000 1.153 239 D CA -0.237 53.614 54.000 -0.248 0.000 0.861 239 D CB 1.696 42.449 40.800 -0.079 0.000 1.207 239 D HN 0.488 nan 8.370 nan 0.000 0.543 240 Q N 1.945 121.732 119.800 -0.022 0.000 2.159 240 Q HA 0.117 4.456 4.340 -0.000 0.000 0.217 240 Q C 0.933 176.939 176.000 0.009 0.000 0.818 240 Q CA -0.039 55.765 55.803 0.002 0.000 1.008 240 Q CB 0.888 29.635 28.738 0.016 0.000 1.148 240 Q HN 0.491 nan 8.270 nan 0.000 0.491 241 T N 0.387 114.953 114.554 0.020 0.000 2.708 241 T HA -0.099 4.251 4.350 -0.000 0.000 0.266 241 T C 1.113 175.824 174.700 0.019 0.000 1.037 241 T CA 1.120 63.236 62.100 0.027 0.000 1.146 241 T CB 0.100 68.995 68.868 0.044 0.000 0.865 241 T HN 0.154 nan 8.240 nan 0.000 0.435 242 R N 0.642 121.153 120.500 0.018 0.000 2.745 242 R HA 0.256 4.596 4.340 -0.000 0.000 0.251 242 R C 2.033 178.331 176.300 -0.004 0.000 1.257 242 R CA -0.226 55.881 56.100 0.011 0.000 1.102 242 R CB 0.144 30.454 30.300 0.017 0.000 1.151 242 R HN 0.156 nan 8.270 nan 0.000 0.571 243 E N 0.385 120.580 120.200 -0.009 0.000 2.028 243 E HA -0.108 4.242 4.350 -0.000 0.000 0.191 243 E C -0.245 176.330 176.600 -0.041 0.000 0.988 243 E CA 0.980 57.366 56.400 -0.024 0.000 0.799 243 E CB 0.117 29.806 29.700 -0.018 0.000 0.755 243 E HN 0.306 nan 8.360 nan 0.000 0.447 244 N N 0.375 119.058 118.700 -0.028 0.000 2.509 244 N HA 0.131 4.871 4.740 -0.000 0.000 0.287 244 N C -0.806 174.693 175.510 -0.019 0.000 1.121 244 N CA -0.210 52.819 53.050 -0.035 0.000 0.977 244 N CB 1.973 40.451 38.487 -0.016 0.000 1.167 244 N HN -0.162 nan 8.380 nan 0.000 0.476 245 V N 2.694 122.593 119.914 -0.025 0.000 2.470 245 V HA 0.178 4.298 4.120 -0.000 0.000 0.276 245 V C 0.559 176.670 176.094 0.028 0.000 1.040 245 V CA -0.400 61.898 62.300 -0.003 0.000 1.008 245 V CB 0.096 31.917 31.823 -0.004 0.000 0.990 245 V HN 0.367 nan 8.190 nan 0.000 0.477 246 L N 5.870 127.117 121.223 0.040 0.000 2.292 246 L HA 0.548 4.888 4.340 -0.000 0.000 0.284 246 L C -0.371 176.547 176.870 0.080 0.000 1.065 246 L CA -0.328 54.561 54.840 0.081 0.000 0.806 246 L CB 1.563 43.691 42.059 0.116 0.000 1.175 246 L HN 0.395 nan 8.230 nan 0.000 0.431 247 V N 2.680 122.668 119.914 0.124 0.000 2.487 247 V HA 0.414 4.533 4.120 -0.000 0.000 0.298 247 V C -0.316 175.897 176.094 0.197 0.000 1.028 247 V CA -0.675 61.694 62.300 0.114 0.000 0.860 247 V CB 1.717 33.586 31.823 0.077 0.000 0.991 247 V HN 0.737 nan 8.190 nan 0.000 0.427 248 E N 2.605 122.920 120.200 0.191 0.000 2.222 248 E HA 0.616 4.966 4.350 -0.000 0.000 0.267 248 E C -0.402 176.274 176.600 0.127 0.000 0.884 248 E CA -0.457 56.060 56.400 0.196 0.000 0.764 248 E CB 2.119 31.942 29.700 0.205 0.000 1.169 248 E HN 0.867 nan 8.360 nan 0.000 0.413 249 T N 0.849 115.473 114.554 0.116 0.000 2.936 249 T HA 0.191 4.540 4.350 -0.000 0.000 0.282 249 T C 1.015 175.688 174.700 -0.044 0.000 1.003 249 T CA -0.775 61.347 62.100 0.038 0.000 1.005 249 T CB 1.022 69.924 68.868 0.057 0.000 1.097 249 T HN 0.423 nan 8.240 nan 0.000 0.532 250 L N 1.547 122.720 121.223 -0.083 0.000 2.141 250 L HA 0.036 4.376 4.340 -0.000 0.000 0.209 250 L C 2.016 178.666 176.870 -0.367 0.000 1.094 250 L CA 2.054 56.798 54.840 -0.162 0.000 0.763 250 L CB -1.106 40.904 42.059 -0.082 0.000 0.908 250 L HN 0.935 nan 8.230 nan 0.000 0.437 251 N N -2.393 116.145 118.700 -0.269 0.000 2.461 251 N HA -0.088 4.651 4.740 -0.000 0.000 0.188 251 N C 0.359 175.715 175.510 -0.258 0.000 1.134 251 N CA 0.979 53.850 53.050 -0.299 0.000 0.878 251 N CB -0.245 38.196 38.487 -0.077 0.000 0.972 251 N HN 0.590 nan 8.380 nan 0.000 0.456 252 H N -3.480 115.603 119.070 0.021 0.000 3.817 252 H HA -0.120 4.436 4.556 -0.000 0.000 0.148 252 H C -0.908 174.426 175.328 0.009 0.000 0.766 252 H CA 0.536 56.587 56.048 0.004 0.000 1.241 252 H CB -1.686 28.067 29.762 -0.015 0.000 0.797 252 H HN 0.342 nan 8.280 nan 0.000 0.513 253 E N 2.245 122.513 120.200 0.113 0.000 2.413 253 E HA 0.160 4.510 4.350 -0.000 0.000 0.263 253 E C 0.187 176.818 176.600 0.052 0.000 1.015 253 E CA 0.254 56.683 56.400 0.048 0.000 0.916 253 E CB 0.521 30.276 29.700 0.092 0.000 0.947 253 E HN 0.107 nan 8.360 nan 0.000 0.440 254 M N 2.656 122.188 119.600 -0.114 0.000 2.364 254 M HA 0.348 4.828 4.480 -0.000 0.000 0.334 254 M C -1.156 175.003 176.300 -0.236 0.000 1.107 254 M CA -0.540 54.736 55.300 -0.041 0.000 0.988 254 M CB 0.949 33.534 32.600 -0.025 0.000 1.673 254 M HN 0.448 nan 8.290 nan 0.000 0.441 255 Y N 0.205 120.524 120.300 0.032 0.000 2.425 255 Y HA 0.456 5.006 4.550 -0.000 0.000 0.344 255 Y C -0.046 175.869 175.900 0.025 0.000 0.969 255 Y CA -0.701 57.413 58.100 0.025 0.000 1.052 255 Y CB 1.857 40.330 38.460 0.021 0.000 1.215 255 Y HN 0.575 nan 8.280 nan 0.000 0.451 256 E N 1.665 121.952 120.200 0.146 0.000 2.199 256 E HA 0.858 5.208 4.350 -0.000 0.000 0.269 256 E C -1.360 175.288 176.600 0.080 0.000 0.899 256 E CA -0.829 55.622 56.400 0.086 0.000 0.772 256 E CB 1.817 31.543 29.700 0.043 0.000 1.155 256 E HN 0.746 nan 8.360 nan 0.000 0.408 257 A N 2.838 125.689 122.820 0.052 0.000 2.606 257 A HA 0.317 4.637 4.320 -0.000 0.000 0.293 257 A C -0.004 177.566 177.584 -0.024 0.000 1.082 257 A CA -0.640 51.421 52.037 0.040 0.000 0.685 257 A CB 1.403 20.447 19.000 0.073 0.000 1.284 257 A HN 0.642 nan 8.150 nan 0.000 0.408 258 K N -0.630 119.743 120.400 -0.045 0.000 2.148 258 K HA 0.038 4.357 4.320 -0.000 0.000 0.204 258 K C -0.625 175.663 176.600 -0.520 0.000 1.050 258 K CA 1.615 57.748 56.287 -0.256 0.000 0.942 258 K CB -0.112 32.283 32.500 -0.176 0.000 0.724 258 K HN 0.608 nan 8.250 nan 0.000 0.446 259 Y N -1.710 118.613 120.300 0.039 0.000 2.655 259 Y HA 0.394 4.944 4.550 -0.000 0.000 0.336 259 Y C -0.794 175.133 175.900 0.046 0.000 1.154 259 Y CA -1.285 56.850 58.100 0.058 0.000 1.055 259 Y CB 1.971 40.446 38.460 0.025 0.000 1.295 259 Y HN -0.452 nan 8.280 nan 0.000 0.465 260 V N 3.010 123.077 119.914 0.256 0.000 2.686 260 V HA 0.443 4.563 4.120 -0.000 0.000 0.306 260 V C -0.808 175.341 176.094 0.091 0.000 1.065 260 V CA -0.836 61.538 62.300 0.123 0.000 0.894 260 V CB 2.135 33.998 31.823 0.067 0.000 1.004 260 V HN 0.525 nan 8.190 nan 0.000 0.424 261 I N 3.102 123.697 120.570 0.042 0.000 2.321 261 I HA 0.370 4.540 4.170 -0.000 0.000 0.291 261 I C 0.269 176.394 176.117 0.013 0.000 0.998 261 I CA -0.135 61.173 61.300 0.014 0.000 1.227 261 I CB 1.862 39.873 38.000 0.018 0.000 1.368 261 I HN 0.626 nan 8.210 nan 0.000 0.466 262 S N 5.512 121.208 115.700 -0.007 0.000 2.410 262 S HA 0.566 5.036 4.470 -0.000 0.000 0.304 262 S C 0.281 174.996 174.600 0.191 0.000 1.095 262 S CA -0.435 57.835 58.200 0.118 0.000 1.089 262 S CB 0.783 64.125 63.200 0.236 0.000 0.968 262 S HN 0.727 nan 8.310 nan 0.000 0.480 263 A N 5.838 128.746 122.820 0.147 0.000 2.911 263 A HA 0.473 4.793 4.320 -0.000 0.000 0.304 263 A C 0.278 177.950 177.584 0.147 0.000 1.144 263 A CA -0.699 51.427 52.037 0.149 0.000 0.988 263 A CB -0.559 18.502 19.000 0.102 0.000 1.141 263 A HN 0.938 nan 8.150 nan 0.000 0.552 264 I N -3.771 116.902 120.570 0.172 0.000 2.863 264 I HA 0.708 4.878 4.170 -0.000 0.000 0.311 264 I C -2.894 173.319 176.117 0.161 0.000 1.026 264 I CA -3.091 58.304 61.300 0.158 0.000 1.077 264 I CB 1.446 39.541 38.000 0.158 0.000 1.262 264 I HN -0.139 nan 8.210 nan 0.000 0.461 265 P HA 0.184 nan 4.420 nan 0.000 0.265 265 P C -2.196 175.155 177.300 0.086 0.000 1.193 265 P CA -0.770 62.401 63.100 0.117 0.000 0.765 265 P CB 0.047 31.807 31.700 0.100 0.000 0.823 266 P HA -0.277 nan 4.420 nan 0.000 0.216 266 P C 1.640 178.919 177.300 -0.035 0.000 1.167 266 P CA 2.093 65.189 63.100 -0.007 0.000 0.933 266 P CB -0.461 31.212 31.700 -0.045 0.000 0.793 267 T N -1.388 113.123 114.554 -0.071 0.000 2.897 267 T HA -0.106 4.244 4.350 -0.000 0.000 0.271 267 T C 1.412 176.098 174.700 -0.024 0.000 1.084 267 T CA 0.769 62.815 62.100 -0.090 0.000 1.123 267 T CB -0.809 67.978 68.868 -0.136 0.000 0.865 267 T HN -0.027 nan 8.240 nan 0.000 0.496 268 L N 0.212 121.451 121.223 0.028 0.000 2.599 268 L HA 0.218 4.558 4.340 -0.000 0.000 0.230 268 L C 2.605 179.544 176.870 0.114 0.000 1.141 268 L CA 0.380 55.261 54.840 0.068 0.000 0.877 268 L CB -0.452 41.669 42.059 0.105 0.000 1.009 268 L HN 0.318 nan 8.230 nan 0.000 0.447 269 G N -0.238 108.637 108.800 0.124 0.000 2.471 269 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.219 269 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.219 269 G C 1.587 176.621 174.900 0.222 0.000 1.125 269 G CA 0.074 45.308 45.100 0.224 0.000 0.775 269 G HN 0.134 nan 8.290 nan 0.000 0.548 270 M N 0.383 120.045 119.600 0.103 0.000 2.337 270 M HA -0.035 4.445 4.480 -0.000 0.000 0.261 270 M C 1.985 178.318 176.300 0.055 0.000 1.067 270 M CA 1.068 56.401 55.300 0.055 0.000 1.074 270 M CB -0.438 32.158 32.600 -0.008 0.000 1.395 270 M HN 0.168 nan 8.290 nan 0.000 0.431 271 K N -0.081 120.372 120.400 0.088 0.000 2.487 271 K HA 0.214 4.534 4.320 -0.000 0.000 0.192 271 K C 0.325 177.000 176.600 0.124 0.000 1.027 271 K CA 0.294 56.641 56.287 0.101 0.000 1.054 271 K CB 0.305 32.881 32.500 0.127 0.000 0.824 271 K HN 0.325 nan 8.250 nan 0.000 0.510 272 I N 0.812 121.425 120.570 0.071 0.000 2.441 272 I HA 0.136 4.306 4.170 -0.000 0.000 0.295 272 I C 0.111 176.132 176.117 -0.161 0.000 0.994 272 I CA -0.752 60.496 61.300 -0.088 0.000 1.144 272 I CB 1.561 39.354 38.000 -0.345 0.000 1.314 272 I HN 0.028 nan 8.210 nan 0.000 0.445 273 H N 5.858 124.805 119.070 -0.206 0.000 2.527 273 H HA 0.351 4.907 4.556 -0.000 0.000 0.321 273 H C -1.132 174.016 175.328 -0.301 0.000 1.087 273 H CA -0.206 55.804 56.048 -0.064 0.000 1.337 273 H CB 1.159 31.010 29.762 0.148 0.000 1.440 273 H HN 0.299 nan 8.280 nan 0.000 0.490 274 F N 1.760 121.733 119.950 0.038 0.000 2.492 274 F HA 0.205 4.731 4.527 -0.000 0.000 0.327 274 F C 0.483 176.240 175.800 -0.071 0.000 1.079 274 F CA -0.757 57.197 58.000 -0.078 0.000 0.967 274 F CB 1.556 40.532 39.000 -0.040 0.000 1.169 274 F HN 0.481 nan 8.300 nan 0.000 0.472 275 N N 3.371 122.098 118.700 0.046 0.000 2.549 275 N HA 0.362 5.102 4.740 -0.000 0.000 0.290 275 N C -3.152 172.380 175.510 0.036 0.000 1.122 275 N CA -2.080 50.997 53.050 0.044 0.000 0.885 275 N CB 2.202 40.715 38.487 0.044 0.000 1.455 275 N HN 0.063 nan 8.380 nan 0.000 0.521 276 P HA 0.310 nan 4.420 nan 0.000 0.273 276 P C -2.589 174.760 177.300 0.082 0.000 1.250 276 P CA -0.913 62.225 63.100 0.063 0.000 0.793 276 P CB -0.348 31.376 31.700 0.040 0.000 1.011 277 P HA -0.003 nan 4.420 nan 0.000 0.267 277 P C 0.084 177.381 177.300 -0.004 0.000 1.195 277 P CA 0.604 63.741 63.100 0.060 0.000 0.773 277 P CB 0.135 31.857 31.700 0.037 0.000 0.837 278 L N 4.035 125.211 121.223 -0.079 0.000 2.467 278 L HA 0.160 4.500 4.340 -0.000 0.000 0.270 278 L C -1.620 175.189 176.870 -0.101 0.000 1.205 278 L CA -1.676 53.056 54.840 -0.180 0.000 0.828 278 L CB -0.707 41.156 42.059 -0.328 0.000 1.101 278 L HN 0.306 nan 8.230 nan 0.000 0.479 279 P HA -0.110 nan 4.420 nan 0.000 0.266 279 P C 0.702 177.966 177.300 -0.060 0.000 1.186 279 P CA 0.097 63.160 63.100 -0.063 0.000 0.767 279 P CB 0.427 32.089 31.700 -0.063 0.000 0.820 280 M N 2.566 122.142 119.600 -0.039 0.000 2.089 280 M HA -0.248 4.231 4.480 -0.000 0.000 0.257 280 M C 1.281 177.578 176.300 -0.005 0.000 1.071 280 M CA 2.305 57.591 55.300 -0.024 0.000 1.096 280 M CB -0.418 32.173 32.600 -0.015 0.000 1.330 280 M HN 0.208 nan 8.290 nan 0.000 0.403 281 M N -0.118 119.477 119.600 -0.008 0.000 2.082 281 M HA -0.215 4.265 4.480 -0.000 0.000 0.258 281 M C 2.299 178.631 176.300 0.053 0.000 1.069 281 M CA 2.120 57.446 55.300 0.044 0.000 1.102 281 M CB -1.553 31.023 32.600 -0.039 0.000 1.336 281 M HN 0.419 nan 8.290 nan 0.000 0.404 282 R N 0.313 120.780 120.500 -0.056 0.000 2.062 282 R HA -0.161 4.179 4.340 -0.000 0.000 0.231 282 R C 2.023 178.235 176.300 -0.146 0.000 1.136 282 R CA 1.951 57.971 56.100 -0.133 0.000 0.948 282 R CB -0.430 29.748 30.300 -0.202 0.000 0.845 282 R HN 0.373 nan 8.270 nan 0.000 0.430 283 N N 0.134 118.756 118.700 -0.131 0.000 2.096 283 N HA -0.261 4.479 4.740 -0.000 0.000 0.195 283 N C 1.601 177.037 175.510 -0.124 0.000 1.017 283 N CA 2.168 55.146 53.050 -0.120 0.000 0.870 283 N CB -0.015 38.422 38.487 -0.083 0.000 1.024 283 N HN 0.433 nan 8.380 nan 0.000 0.434 284 Q N -1.358 118.376 119.800 -0.110 0.000 2.204 284 Q HA -0.005 4.335 4.340 -0.000 0.000 0.198 284 Q C 1.973 177.725 176.000 -0.414 0.000 0.946 284 Q CA 0.515 56.203 55.803 -0.191 0.000 0.859 284 Q CB -0.080 28.608 28.738 -0.085 0.000 0.946 284 Q HN 0.476 nan 8.270 nan 0.000 0.474 285 M N 1.559 120.923 119.600 -0.392 0.000 2.082 285 M HA -0.183 4.297 4.480 -0.000 0.000 0.258 285 M C 1.993 178.054 176.300 -0.398 0.000 1.069 285 M CA 1.710 56.717 55.300 -0.490 0.000 1.102 285 M CB -0.499 32.005 32.600 -0.161 0.000 1.336 285 M HN 0.311 nan 8.290 nan 0.000 0.404 286 I N -1.453 118.947 120.570 -0.283 0.000 3.334 286 I HA -0.077 4.093 4.170 -0.000 0.000 0.282 286 I C 1.391 177.365 176.117 -0.237 0.000 1.313 286 I CA 1.337 62.495 61.300 -0.237 0.000 1.396 286 I CB -0.917 36.984 38.000 -0.164 0.000 1.054 286 I HN 0.308 nan 8.210 nan 0.000 0.495 287 T N -2.820 111.566 114.554 -0.280 0.000 3.054 287 T HA 0.293 4.643 4.350 -0.000 0.000 0.255 287 T C 1.471 175.984 174.700 -0.312 0.000 1.035 287 T CA -0.238 61.712 62.100 -0.250 0.000 0.941 287 T CB -0.048 68.698 68.868 -0.202 0.000 1.026 287 T HN 0.393 nan 8.240 nan 0.000 0.533 288 R N 1.215 121.464 120.500 -0.418 0.000 2.468 288 R HA 0.334 4.674 4.340 -0.000 0.000 0.280 288 R C -0.057 175.890 176.300 -0.587 0.000 0.963 288 R CA -0.027 55.790 56.100 -0.472 0.000 1.083 288 R CB 1.104 31.059 30.300 -0.575 0.000 1.200 288 R HN 0.435 nan 8.270 nan 0.000 0.541 289 V N -1.007 118.559 119.914 -0.580 0.000 2.383 289 V HA 0.463 4.583 4.120 -0.000 0.000 0.261 289 V C -2.694 173.044 176.094 -0.593 0.000 0.987 289 V CA -2.385 59.463 62.300 -0.754 0.000 0.853 289 V CB 0.703 32.051 31.823 -0.792 0.000 1.095 289 V HN -0.102 nan 8.190 nan 0.000 0.461 290 P HA 0.509 nan 4.420 nan 0.000 0.276 290 P C -0.557 176.501 177.300 -0.402 0.000 1.252 290 P CA -0.342 62.458 63.100 -0.500 0.000 0.802 290 P CB 1.963 33.337 31.700 -0.542 0.000 1.035 291 L N 0.528 121.671 121.223 -0.133 0.000 2.375 291 L HA 0.576 4.916 4.340 -0.000 0.000 0.268 291 L C 1.527 178.474 176.870 0.128 0.000 1.058 291 L CA -0.247 54.599 54.840 0.010 0.000 0.803 291 L CB 0.552 42.626 42.059 0.025 0.000 1.212 291 L HN 0.458 nan 8.230 nan 0.000 0.451 292 G N -0.012 108.861 108.800 0.121 0.000 2.611 292 G HA2 0.426 4.386 3.960 -0.000 0.000 0.273 292 G HA3 0.426 4.386 3.960 -0.000 0.000 0.273 292 G C -0.817 174.064 174.900 -0.032 0.000 1.305 292 G CA -0.362 44.745 45.100 0.013 0.000 1.010 292 G HN 0.510 nan 8.290 nan 0.000 0.509 293 S N -1.437 114.210 115.700 -0.089 0.000 2.594 293 S HA 0.594 5.064 4.470 -0.000 0.000 0.296 293 S C -1.039 173.521 174.600 -0.067 0.000 1.124 293 S CA -0.544 57.634 58.200 -0.036 0.000 1.011 293 S CB 1.747 64.940 63.200 -0.011 0.000 1.016 293 S HN 0.857 nan 8.310 nan 0.000 0.485 294 V N 4.438 124.361 119.914 0.015 0.000 3.077 294 V HA 0.592 4.712 4.120 -0.000 0.000 0.299 294 V C -1.956 174.268 176.094 0.217 0.000 1.276 294 V CA -0.795 61.541 62.300 0.060 0.000 0.993 294 V CB 1.827 33.615 31.823 -0.059 0.000 1.076 294 V HN 0.905 nan 8.190 nan 0.000 0.434 295 I N 4.938 125.656 120.570 0.247 0.000 2.406 295 I HA 0.516 4.686 4.170 -0.000 0.000 0.290 295 I C -0.235 176.106 176.117 0.374 0.000 0.999 295 I CA -0.704 60.766 61.300 0.283 0.000 1.124 295 I CB 1.798 39.910 38.000 0.187 0.000 1.289 295 I HN 0.506 nan 8.210 nan 0.000 0.441 296 K N 5.460 126.111 120.400 0.418 0.000 2.227 296 K HA 0.581 4.901 4.320 -0.000 0.000 0.280 296 K C -1.400 175.310 176.600 0.183 0.000 1.041 296 K CA -0.331 56.179 56.287 0.372 0.000 0.905 296 K CB 1.008 33.779 32.500 0.452 0.000 1.068 296 K HN 0.693 nan 8.250 nan 0.000 0.470 297 C N 5.171 124.536 119.300 0.108 0.000 2.482 297 C HA 0.572 5.031 4.460 -0.000 0.000 0.317 297 C C -0.757 174.248 174.990 0.025 0.000 1.197 297 C CA -1.165 57.898 59.018 0.075 0.000 1.432 297 C CB 0.006 27.892 27.740 0.243 0.000 2.062 297 C HN 0.709 nan 8.230 nan 0.000 0.471 298 I N 2.754 123.277 120.570 -0.078 0.000 2.447 298 I HA 0.457 4.627 4.170 -0.000 0.000 0.287 298 I C -0.326 175.718 176.117 -0.122 0.000 1.023 298 I CA -0.195 61.008 61.300 -0.162 0.000 1.083 298 I CB 1.553 39.407 38.000 -0.244 0.000 1.245 298 I HN 0.371 nan 8.210 nan 0.000 0.434 299 V N 6.795 126.650 119.914 -0.100 0.000 2.398 299 V HA 0.377 4.497 4.120 -0.000 0.000 0.286 299 V C -0.632 175.196 176.094 -0.445 0.000 1.026 299 V CA -0.672 61.580 62.300 -0.081 0.000 0.868 299 V CB 0.991 32.833 31.823 0.032 0.000 0.982 299 V HN 0.413 nan 8.190 nan 0.000 0.443 300 Y N 4.241 124.468 120.300 -0.122 0.000 2.334 300 Y HA 0.613 5.163 4.550 -0.000 0.000 0.328 300 Y C -0.238 175.545 175.900 -0.195 0.000 1.130 300 Y CA -0.189 57.892 58.100 -0.031 0.000 1.163 300 Y CB 1.207 39.752 38.460 0.141 0.000 1.207 300 Y HN 0.522 nan 8.280 nan 0.000 0.471 301 Y N 0.147 120.699 120.300 0.421 0.000 2.553 301 Y HA 0.252 4.802 4.550 -0.000 0.000 0.347 301 Y C 1.073 177.122 175.900 0.247 0.000 1.019 301 Y CA -1.386 56.931 58.100 0.362 0.000 1.032 301 Y CB 2.017 40.784 38.460 0.512 0.000 1.284 301 Y HN 0.516 nan 8.280 nan 0.000 0.466 302 K N 0.504 121.122 120.400 0.364 0.000 2.127 302 K HA -0.156 4.164 4.320 -0.000 0.000 0.208 302 K C -0.273 176.396 176.600 0.115 0.000 1.047 302 K CA 1.821 58.215 56.287 0.179 0.000 0.927 302 K CB 0.199 32.774 32.500 0.124 0.000 0.716 302 K HN 0.684 nan 8.250 nan 0.000 0.450 303 E N -1.553 118.728 120.200 0.135 0.000 2.392 303 E HA 0.166 4.516 4.350 -0.000 0.000 0.279 303 E C -2.719 173.737 176.600 -0.240 0.000 0.964 303 E CA -2.001 54.385 56.400 -0.024 0.000 0.777 303 E CB 2.256 31.935 29.700 -0.035 0.000 1.249 303 E HN -0.128 nan 8.360 nan 0.000 0.449 304 P HA 0.008 nan 4.420 nan 0.000 0.235 304 P C 0.618 177.039 177.300 -1.464 0.000 1.720 304 P CA 0.156 62.415 63.100 -1.402 0.000 1.003 304 P CB -1.060 30.140 31.700 -0.834 0.000 1.968 305 F N -0.036 119.332 119.950 -0.971 0.000 2.192 305 F HA -0.201 4.326 4.527 -0.000 0.000 0.301 305 F C 1.808 177.407 175.800 -0.335 0.000 1.079 305 F CA 0.354 58.066 58.000 -0.479 0.000 1.303 305 F CB -2.012 36.836 39.000 -0.252 0.000 1.024 305 F HN 0.114 nan 8.300 nan 0.000 0.494 306 W N 1.350 122.334 121.300 -0.528 0.000 2.342 306 W HA -0.041 4.618 4.660 -0.000 0.000 0.297 306 W C 2.140 178.596 176.519 -0.105 0.000 1.213 306 W CA 1.116 58.318 57.345 -0.240 0.000 1.251 306 W CB -1.158 28.111 29.460 -0.318 0.000 1.136 306 W HN -0.110 nan 8.180 nan 0.000 0.526 307 R N 1.172 121.472 120.500 -0.332 0.000 2.081 307 R HA -0.089 4.251 4.340 -0.000 0.000 0.235 307 R C 2.062 178.287 176.300 -0.125 0.000 1.131 307 R CA 1.701 57.708 56.100 -0.155 0.000 0.960 307 R CB -0.610 29.557 30.300 -0.222 0.000 0.856 307 R HN 0.247 nan 8.270 nan 0.000 0.436 308 K N 0.940 121.253 120.400 -0.144 0.000 2.211 308 K HA -0.120 4.200 4.320 -0.000 0.000 0.204 308 K C 1.515 178.045 176.600 -0.115 0.000 1.047 308 K CA 1.217 57.442 56.287 -0.103 0.000 0.935 308 K CB 0.095 32.548 32.500 -0.077 0.000 0.728 308 K HN 0.072 nan 8.250 nan 0.000 0.452 309 K N 0.389 120.696 120.400 -0.155 0.000 2.417 309 K HA -0.045 4.275 4.320 -0.000 0.000 0.196 309 K C -0.398 175.912 176.600 -0.484 0.000 1.023 309 K CA 0.245 56.342 56.287 -0.317 0.000 1.122 309 K CB 0.352 32.610 32.500 -0.403 0.000 0.850 309 K HN 0.056 nan 8.250 nan 0.000 0.521 310 D N -0.044 120.206 120.400 -0.250 0.000 2.800 310 D HA -0.220 4.420 4.640 -0.000 0.000 0.232 310 D C -1.373 174.910 176.300 -0.029 0.000 1.137 310 D CA 0.870 54.788 54.000 -0.137 0.000 0.718 310 D CB -1.398 39.338 40.800 -0.107 0.000 1.084 310 D HN 0.344 nan 8.370 nan 0.000 0.432 311 Y N -0.751 119.581 120.300 0.052 0.000 2.352 311 Y HA 0.313 4.863 4.550 -0.000 0.000 0.339 311 Y C 2.014 177.970 175.900 0.093 0.000 0.992 311 Y CA -0.969 57.157 58.100 0.044 0.000 1.100 311 Y CB 1.285 39.783 38.460 0.063 0.000 1.192 311 Y HN 0.276 nan 8.280 nan 0.000 0.458 312 C N -0.859 118.544 119.300 0.172 0.000 2.495 312 C HA 0.444 4.904 4.460 -0.000 0.000 0.275 312 C C 1.671 176.703 174.990 0.069 0.000 1.392 312 C CA 0.748 59.842 59.018 0.127 0.000 1.766 312 C CB -0.845 26.903 27.740 0.013 0.000 1.933 312 C HN 1.198 nan 8.230 nan 0.000 0.519 313 G N -0.527 108.163 108.800 -0.184 0.000 2.367 313 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.181 313 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.181 313 G C 0.031 174.608 174.900 -0.538 0.000 1.000 313 G CA 0.169 44.888 45.100 -0.636 0.000 0.693 313 G HN 0.512 nan 8.290 nan 0.000 0.480 314 T N 2.505 116.830 114.554 -0.381 0.000 2.794 314 T HA 0.646 4.996 4.350 -0.000 0.000 0.296 314 T C 0.241 174.735 174.700 -0.343 0.000 0.949 314 T CA 0.576 62.432 62.100 -0.406 0.000 1.101 314 T CB 0.783 69.456 68.868 -0.326 0.000 0.905 314 T HN 0.272 nan 8.240 nan 0.000 0.516 315 M N 4.054 123.443 119.600 -0.352 0.000 2.327 315 M HA 0.505 4.984 4.480 -0.000 0.000 0.298 315 M C -0.977 175.318 176.300 -0.008 0.000 1.065 315 M CA -0.604 54.605 55.300 -0.151 0.000 0.916 315 M CB 2.303 34.803 32.600 -0.167 0.000 1.630 315 M HN 0.393 nan 8.290 nan 0.000 0.442 316 I N 4.430 125.139 120.570 0.232 0.000 2.354 316 I HA 0.442 4.612 4.170 -0.000 0.000 0.286 316 I C -0.919 175.446 176.117 0.413 0.000 1.007 316 I CA -0.307 61.233 61.300 0.401 0.000 1.167 316 I CB 1.149 39.437 38.000 0.481 0.000 1.320 316 I HN 0.606 nan 8.210 nan 0.000 0.458 317 I N 5.585 126.356 120.570 0.336 0.000 2.390 317 I HA 0.259 4.429 4.170 -0.000 0.000 0.283 317 I C -0.092 176.183 176.117 0.263 0.000 1.016 317 I CA -0.543 60.931 61.300 0.290 0.000 1.151 317 I CB 0.853 38.979 38.000 0.210 0.000 1.293 317 I HN 0.453 nan 8.210 nan 0.000 0.458 318 D N 4.813 125.361 120.400 0.247 0.000 2.368 318 D HA 0.442 5.082 4.640 -0.000 0.000 0.240 318 D C 0.485 176.878 176.300 0.155 0.000 1.169 318 D CA 0.966 55.082 54.000 0.193 0.000 0.906 318 D CB 1.569 42.460 40.800 0.151 0.000 1.187 318 D HN 0.811 nan 8.370 nan 0.000 0.435 319 G N 1.184 110.060 108.800 0.128 0.000 2.650 319 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.686 319 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.686 319 G C 0.495 175.461 174.900 0.110 0.000 1.205 319 G CA 0.066 45.231 45.100 0.107 0.000 0.781 319 G HN 0.458 nan 8.290 nan 0.000 0.648 320 E N 0.235 120.495 120.200 0.100 0.000 2.107 320 E HA 0.013 4.362 4.350 -0.000 0.000 0.191 320 E C 2.139 178.797 176.600 0.097 0.000 0.982 320 E CA 2.292 58.761 56.400 0.115 0.000 0.809 320 E CB -0.038 29.727 29.700 0.107 0.000 0.756 320 E HN 0.643 nan 8.360 nan 0.000 0.459 321 E N 0.701 120.948 120.200 0.080 0.000 2.152 321 E HA 0.086 4.436 4.350 -0.000 0.000 0.192 321 E C 0.432 177.063 176.600 0.051 0.000 0.983 321 E CA 0.876 57.313 56.400 0.062 0.000 0.818 321 E CB -0.403 29.331 29.700 0.056 0.000 0.758 321 E HN 0.297 nan 8.360 nan 0.000 0.467 322 A N 2.872 125.732 122.820 0.065 0.000 2.491 322 A HA 0.144 4.464 4.320 -0.000 0.000 0.261 322 A C -1.336 176.270 177.584 0.036 0.000 1.101 322 A CA -1.055 51.013 52.037 0.052 0.000 0.772 322 A CB 0.094 19.147 19.000 0.087 0.000 1.043 322 A HN 0.017 nan 8.150 nan 0.000 0.501 323 P HA -0.014 nan 4.420 nan 0.000 0.226 323 P C 0.028 177.349 177.300 0.034 0.000 1.153 323 P CA 0.927 64.026 63.100 -0.001 0.000 0.777 323 P CB 0.138 31.819 31.700 -0.032 0.000 0.794 324 V N -0.329 119.622 119.914 0.063 0.000 2.686 324 V HA 0.471 4.591 4.120 -0.000 0.000 0.306 324 V C 0.850 177.050 176.094 0.176 0.000 1.065 324 V CA -0.255 62.127 62.300 0.136 0.000 0.894 324 V CB 1.792 33.706 31.823 0.152 0.000 1.004 324 V HN -0.098 nan 8.190 nan 0.000 0.424 325 A N 4.147 127.107 122.820 0.232 0.000 2.115 325 A HA 0.331 4.651 4.320 -0.000 0.000 0.211 325 A C 0.117 177.920 177.584 0.365 0.000 1.169 325 A CA 0.667 52.864 52.037 0.266 0.000 0.787 325 A CB 0.212 19.360 19.000 0.246 0.000 0.858 325 A HN 0.796 nan 8.150 nan 0.000 0.474 326 Y N 0.378 120.798 120.300 0.201 0.000 2.396 326 Y HA 0.480 5.030 4.550 -0.000 0.000 0.332 326 Y C -0.430 175.527 175.900 0.096 0.000 1.034 326 Y CA -0.542 57.663 58.100 0.175 0.000 1.057 326 Y CB 1.654 40.266 38.460 0.253 0.000 1.220 326 Y HN 0.113 nan 8.280 nan 0.000 0.440 327 T N 4.352 118.642 114.554 -0.441 0.000 2.907 327 T HA 0.837 5.187 4.350 -0.000 0.000 0.292 327 T C -1.275 173.009 174.700 -0.693 0.000 1.043 327 T CA -0.841 60.978 62.100 -0.467 0.000 1.003 327 T CB 1.890 70.491 68.868 -0.445 0.000 1.084 327 T HN 0.593 nan 8.240 nan 0.000 0.483 328 L N 0.985 121.910 121.223 -0.498 0.000 2.333 328 L HA 0.545 4.885 4.340 -0.000 0.000 0.263 328 L C -0.620 176.050 176.870 -0.333 0.000 1.014 328 L CA -1.255 53.344 54.840 -0.401 0.000 0.820 328 L CB 2.192 44.086 42.059 -0.275 0.000 1.352 328 L HN 0.728 nan 8.230 nan 0.000 0.421 329 D N 0.450 120.696 120.400 -0.256 0.000 2.390 329 D HA 0.031 4.671 4.640 -0.000 0.000 0.249 329 D C -0.343 175.965 176.300 0.013 0.000 1.144 329 D CA 0.392 54.296 54.000 -0.160 0.000 0.880 329 D CB 1.331 42.133 40.800 0.003 0.000 1.182 329 D HN 0.444 nan 8.370 nan 0.000 0.451 330 D N 1.667 122.086 120.400 0.031 0.000 2.479 330 D HA 0.081 4.721 4.640 -0.000 0.000 0.218 330 D C -0.433 175.958 176.300 0.153 0.000 1.177 330 D CA -0.097 53.955 54.000 0.087 0.000 0.830 330 D CB 0.360 41.151 40.800 -0.015 0.000 1.014 330 D HN 0.257 nan 8.370 nan 0.000 0.503 331 T N 1.857 116.538 114.554 0.211 0.000 2.867 331 T HA 0.018 4.368 4.350 -0.000 0.000 0.297 331 T C 0.599 175.378 174.700 0.131 0.000 0.989 331 T CA -0.085 62.138 62.100 0.204 0.000 1.159 331 T CB 0.787 69.783 68.868 0.213 0.000 0.928 331 T HN -0.039 nan 8.240 nan 0.000 0.538 332 K N 4.524 124.962 120.400 0.064 0.000 2.397 332 K HA 0.030 4.349 4.320 -0.000 0.000 0.265 332 K C -1.398 175.099 176.600 -0.172 0.000 0.982 332 K CA -1.447 54.777 56.287 -0.104 0.000 0.931 332 K CB 0.045 32.499 32.500 -0.076 0.000 0.943 332 K HN 0.345 nan 8.250 nan 0.000 0.501 333 P HA -0.140 nan 4.420 nan 0.000 0.223 333 P C 0.410 177.641 177.300 -0.115 0.000 1.144 333 P CA 1.334 64.230 63.100 -0.339 0.000 0.783 333 P CB 0.317 31.710 31.700 -0.511 0.000 0.771 334 E N -0.508 119.647 120.200 -0.075 0.000 2.072 334 E HA 0.064 4.414 4.350 -0.000 0.000 0.191 334 E C 1.809 178.402 176.600 -0.012 0.000 0.985 334 E CA 1.703 58.089 56.400 -0.022 0.000 0.801 334 E CB -0.745 28.960 29.700 0.008 0.000 0.750 334 E HN 0.346 nan 8.360 nan 0.000 0.452 335 G N -0.698 108.101 108.800 -0.001 0.000 2.296 335 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.188 335 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.188 335 G C 0.152 175.056 174.900 0.007 0.000 1.000 335 G CA -0.266 44.830 45.100 -0.007 0.000 0.672 335 G HN 0.093 nan 8.290 nan 0.000 0.483 336 N N 0.213 118.937 118.700 0.041 0.000 2.381 336 N HA 0.346 5.086 4.740 -0.000 0.000 0.241 336 N C 0.469 176.094 175.510 0.192 0.000 1.279 336 N CA 0.226 53.314 53.050 0.063 0.000 0.896 336 N CB -0.241 38.387 38.487 0.236 0.000 1.118 336 N HN 0.352 nan 8.380 nan 0.000 0.438 337 Y N -2.234 118.093 120.300 0.046 0.000 2.980 337 Y HA -0.267 4.283 4.550 -0.000 0.000 0.199 337 Y C 0.742 176.774 175.900 0.220 0.000 1.319 337 Y CA 0.239 58.410 58.100 0.119 0.000 0.877 337 Y CB -1.902 36.590 38.460 0.054 0.000 1.259 337 Y HN 0.483 nan 8.280 nan 0.000 0.437 338 A N 0.733 123.734 122.820 0.302 0.000 2.445 338 A HA 0.758 5.077 4.320 -0.000 0.000 0.242 338 A C 0.610 178.455 177.584 0.436 0.000 1.075 338 A CA 0.411 52.640 52.037 0.321 0.000 0.777 338 A CB 0.503 19.608 19.000 0.175 0.000 1.013 338 A HN 1.459 nan 8.150 nan 0.000 0.493 339 A N 1.471 124.535 122.820 0.407 0.000 2.608 339 A HA 0.648 4.968 4.320 -0.000 0.000 0.292 339 A C -1.151 176.407 177.584 -0.044 0.000 1.066 339 A CA -0.491 51.592 52.037 0.076 0.000 0.676 339 A CB 0.957 19.724 19.000 -0.387 0.000 1.277 339 A HN 0.699 nan 8.150 nan 0.000 0.413 340 I N 1.988 122.406 120.570 -0.253 0.000 2.436 340 I HA 0.395 4.565 4.170 -0.000 0.000 0.289 340 I C -0.409 175.515 176.117 -0.320 0.000 1.010 340 I CA -0.368 60.654 61.300 -0.462 0.000 1.098 340 I CB 1.741 39.288 38.000 -0.754 0.000 1.266 340 I HN 0.737 nan 8.210 nan 0.000 0.434 341 M N 5.317 124.739 119.600 -0.296 0.000 2.238 341 M HA 0.661 5.141 4.480 -0.000 0.000 0.350 341 M C -0.403 175.747 176.300 -0.251 0.000 1.138 341 M CA -0.172 54.995 55.300 -0.222 0.000 1.040 341 M CB 1.310 33.816 32.600 -0.157 0.000 1.639 341 M HN 0.741 nan 8.290 nan 0.000 0.451 342 G N 4.179 112.872 108.800 -0.179 0.000 2.696 342 G HA2 0.670 4.629 3.960 -0.000 0.000 0.295 342 G HA3 0.670 4.629 3.960 -0.000 0.000 0.295 342 G C -2.055 172.777 174.900 -0.112 0.000 1.398 342 G CA -0.552 44.479 45.100 -0.115 0.000 0.920 342 G HN 0.632 nan 8.290 nan 0.000 0.492 343 F N 0.339 120.428 119.950 0.231 0.000 2.443 343 F HA 0.537 5.064 4.527 -0.000 0.000 0.335 343 F C 0.557 176.453 175.800 0.160 0.000 1.104 343 F CA -0.770 57.361 58.000 0.217 0.000 1.013 343 F CB 2.254 41.407 39.000 0.254 0.000 1.136 343 F HN 0.045 nan 8.300 nan 0.000 0.470 344 I N 5.190 125.958 120.570 0.330 0.000 2.306 344 I HA 0.270 4.440 4.170 -0.000 0.000 0.288 344 I C -0.737 175.453 176.117 0.121 0.000 1.036 344 I CA -0.323 61.084 61.300 0.179 0.000 1.221 344 I CB 0.746 38.822 38.000 0.126 0.000 1.385 344 I HN 0.362 nan 8.210 nan 0.000 0.472 345 L N 6.170 127.429 121.223 0.060 0.000 2.334 345 L HA 0.716 5.056 4.340 -0.000 0.000 0.275 345 L C 1.062 177.877 176.870 -0.092 0.000 1.036 345 L CA -0.163 54.664 54.840 -0.020 0.000 0.807 345 L CB 1.419 43.470 42.059 -0.014 0.000 1.231 345 L HN 0.861 nan 8.230 nan 0.000 0.438 346 A N 1.877 124.635 122.820 -0.102 0.000 5.391 346 A HA -0.368 3.952 4.320 -0.000 0.000 0.315 346 A C 1.711 179.262 177.584 -0.054 0.000 1.874 346 A CA 1.567 53.549 52.037 -0.092 0.000 0.714 346 A CB -1.651 17.294 19.000 -0.091 0.000 1.335 346 A HN 1.105 nan 8.150 nan 0.000 0.382 347 H N 0.826 119.876 119.070 -0.034 0.000 2.457 347 H HA -0.061 4.495 4.556 -0.000 0.000 0.297 347 H C 1.735 177.071 175.328 0.013 0.000 1.092 347 H CA 1.867 57.913 56.048 -0.003 0.000 1.309 347 H CB -0.288 29.481 29.762 0.013 0.000 1.382 347 H HN 0.713 nan 8.280 nan 0.000 0.535 348 K N 0.650 120.728 120.400 -0.537 0.000 2.155 348 K HA 0.085 4.405 4.320 -0.000 0.000 0.203 348 K C 2.573 179.109 176.600 -0.105 0.000 1.052 348 K CA 0.819 56.901 56.287 -0.340 0.000 0.948 348 K CB 0.035 32.331 32.500 -0.341 0.000 0.728 348 K HN 0.324 nan 8.250 nan 0.000 0.448 349 A N 1.491 124.271 122.820 -0.065 0.000 2.019 349 A HA -0.175 4.144 4.320 -0.000 0.000 0.219 349 A C 1.936 179.531 177.584 0.018 0.000 1.164 349 A CA 1.289 53.328 52.037 0.004 0.000 0.644 349 A CB -0.282 18.732 19.000 0.022 0.000 0.805 349 A HN 0.216 nan 8.150 nan 0.000 0.449 350 R N -0.620 119.891 120.500 0.017 0.000 2.100 350 R HA 0.035 4.375 4.340 -0.000 0.000 0.220 350 R C 2.274 178.596 176.300 0.036 0.000 1.091 350 R CA 1.189 57.309 56.100 0.035 0.000 0.986 350 R CB -0.212 30.117 30.300 0.049 0.000 0.888 350 R HN 0.479 nan 8.270 nan 0.000 0.444 351 K N 1.170 121.592 120.400 0.037 0.000 2.057 351 K HA -0.056 4.264 4.320 -0.000 0.000 0.206 351 K C 1.550 178.166 176.600 0.027 0.000 1.050 351 K CA 1.162 57.474 56.287 0.043 0.000 0.935 351 K CB 0.146 32.682 32.500 0.059 0.000 0.715 351 K HN 0.178 nan 8.250 nan 0.000 0.439 352 L N 0.012 121.246 121.223 0.018 0.000 2.592 352 L HA 0.144 4.484 4.340 -0.000 0.000 0.227 352 L C 2.066 178.952 176.870 0.027 0.000 1.127 352 L CA 0.111 54.962 54.840 0.019 0.000 0.884 352 L CB 0.077 42.144 42.059 0.014 0.000 1.065 352 L HN 0.115 nan 8.230 nan 0.000 0.457 353 A N 0.244 123.082 122.820 0.030 0.000 2.119 353 A HA -0.085 4.234 4.320 -0.000 0.000 0.217 353 A C 2.344 179.944 177.584 0.026 0.000 1.153 353 A CA 0.712 52.768 52.037 0.032 0.000 0.692 353 A CB -0.268 18.750 19.000 0.031 0.000 0.799 353 A HN 0.290 nan 8.150 nan 0.000 0.458 354 R N -0.497 120.017 120.500 0.023 0.000 2.092 354 R HA 0.036 4.376 4.340 -0.000 0.000 0.231 354 R C 0.349 176.659 176.300 0.017 0.000 1.119 354 R CA 0.395 56.506 56.100 0.019 0.000 0.970 354 R CB -0.480 29.831 30.300 0.018 0.000 0.864 354 R HN 0.450 nan 8.270 nan 0.000 0.440 355 L N 0.535 121.768 121.223 0.017 0.000 2.475 355 L HA 0.053 4.393 4.340 -0.000 0.000 0.250 355 L C 1.016 177.897 176.870 0.019 0.000 1.224 355 L CA -0.202 54.646 54.840 0.013 0.000 0.821 355 L CB 0.181 42.244 42.059 0.008 0.000 1.141 355 L HN 0.159 nan 8.230 nan 0.000 0.494 356 T N -3.174 111.389 114.554 0.015 0.000 2.902 356 T HA 0.165 4.515 4.350 -0.000 0.000 0.280 356 T C 0.847 175.568 174.700 0.034 0.000 0.992 356 T CA -0.829 61.285 62.100 0.023 0.000 1.015 356 T CB 1.519 70.397 68.868 0.017 0.000 1.044 356 T HN 0.611 nan 8.240 nan 0.000 0.520 357 K N 0.358 120.793 120.400 0.059 0.000 2.077 357 K HA -0.270 4.049 4.320 -0.000 0.000 0.213 357 K C 1.918 178.544 176.600 0.043 0.000 1.051 357 K CA 2.231 58.584 56.287 0.109 0.000 0.929 357 K CB -0.226 32.354 32.500 0.133 0.000 0.715 357 K HN 0.689 nan 8.250 nan 0.000 0.451 358 E N 0.508 120.712 120.200 0.006 0.000 2.072 358 E HA -0.146 4.204 4.350 -0.000 0.000 0.191 358 E C 1.839 178.389 176.600 -0.083 0.000 0.985 358 E CA 1.463 57.834 56.400 -0.048 0.000 0.801 358 E CB 0.006 29.695 29.700 -0.018 0.000 0.750 358 E HN 0.398 nan 8.360 nan 0.000 0.452 359 E N 0.218 120.389 120.200 -0.048 0.000 2.153 359 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 359 E C 2.116 178.669 176.600 -0.077 0.000 0.988 359 E CA 0.739 57.108 56.400 -0.051 0.000 0.811 359 E CB -0.024 29.662 29.700 -0.025 0.000 0.746 359 E HN 0.122 nan 8.360 nan 0.000 0.466 360 R N 0.494 120.949 120.500 -0.076 0.000 2.066 360 R HA -0.070 4.270 4.340 -0.000 0.000 0.232 360 R C 2.547 178.706 176.300 -0.235 0.000 1.131 360 R CA 0.793 56.836 56.100 -0.095 0.000 0.955 360 R CB -0.437 29.863 30.300 0.001 0.000 0.851 360 R HN 0.213 nan 8.270 nan 0.000 0.432 361 L N 1.398 122.366 121.223 -0.424 0.000 2.013 361 L HA -0.296 4.044 4.340 -0.000 0.000 0.212 361 L C 2.480 179.152 176.870 -0.330 0.000 1.073 361 L CA 1.772 56.223 54.840 -0.647 0.000 0.753 361 L CB -0.298 41.324 42.059 -0.729 0.000 0.890 361 L HN 0.197 nan 8.230 nan 0.000 0.432 362 K N -0.260 120.013 120.400 -0.212 0.000 2.063 362 K HA -0.217 4.103 4.320 -0.000 0.000 0.208 362 K C 2.139 178.661 176.600 -0.131 0.000 1.048 362 K CA 1.418 57.627 56.287 -0.131 0.000 0.928 362 K CB 0.060 32.509 32.500 -0.085 0.000 0.713 362 K HN 0.265 nan 8.250 nan 0.000 0.442 363 K N 0.390 120.705 120.400 -0.143 0.000 2.155 363 K HA -0.060 4.260 4.320 -0.000 0.000 0.203 363 K C 2.092 178.562 176.600 -0.217 0.000 1.052 363 K CA 0.797 57.003 56.287 -0.135 0.000 0.948 363 K CB 0.024 32.463 32.500 -0.102 0.000 0.728 363 K HN 0.232 nan 8.250 nan 0.000 0.448 364 L N 0.265 121.307 121.223 -0.303 0.000 2.072 364 L HA -0.191 4.149 4.340 -0.000 0.000 0.205 364 L C 2.602 179.074 176.870 -0.663 0.000 1.079 364 L CA 0.924 55.422 54.840 -0.569 0.000 0.752 364 L CB -0.544 41.211 42.059 -0.506 0.000 0.906 364 L HN 0.265 nan 8.230 nan 0.000 0.436 365 C N 0.175 119.307 119.300 -0.280 0.000 2.453 365 C HA -0.134 4.326 4.460 -0.000 0.000 0.277 365 C C 2.639 177.623 174.990 -0.009 0.000 1.262 365 C CA 0.593 59.596 59.018 -0.025 0.000 1.718 365 C CB -0.627 27.143 27.740 0.050 0.000 2.031 365 C HN 0.506 nan 8.230 nan 0.000 0.480 366 E N 0.347 120.508 120.200 -0.064 0.000 2.110 366 E HA -0.237 4.113 4.350 -0.000 0.000 0.193 366 E C 1.959 178.535 176.600 -0.040 0.000 0.988 366 E CA 1.066 57.446 56.400 -0.033 0.000 0.804 366 E CB -0.255 29.420 29.700 -0.041 0.000 0.745 366 E HN 0.532 nan 8.360 nan 0.000 0.458 367 L N 0.113 121.266 121.223 -0.117 0.000 2.005 367 L HA -0.181 4.159 4.340 -0.000 0.000 0.207 367 L C 2.005 178.879 176.870 0.008 0.000 1.072 367 L CA 1.705 56.480 54.840 -0.110 0.000 0.744 367 L CB -0.553 41.390 42.059 -0.194 0.000 0.895 367 L HN 0.188 nan 8.230 nan 0.000 0.433 368 Y N -0.710 119.581 120.300 -0.015 0.000 2.224 368 Y HA -0.233 4.317 4.550 -0.000 0.000 0.289 368 Y C 2.516 178.439 175.900 0.039 0.000 1.146 368 Y CA 0.295 58.395 58.100 0.001 0.000 1.182 368 Y CB -0.389 38.118 38.460 0.079 0.000 0.983 368 Y HN 0.405 nan 8.280 nan 0.000 0.524 369 A N 0.471 123.418 122.820 0.211 0.000 1.898 369 A HA -0.221 4.099 4.320 -0.000 0.000 0.216 369 A C 2.129 179.763 177.584 0.083 0.000 1.181 369 A CA 1.815 53.934 52.037 0.137 0.000 0.620 369 A CB -0.539 18.512 19.000 0.085 0.000 0.819 369 A HN 0.379 nan 8.150 nan 0.000 0.442 370 K N -0.458 119.964 120.400 0.036 0.000 2.057 370 K HA -0.057 4.263 4.320 -0.000 0.000 0.206 370 K C 1.760 178.337 176.600 -0.038 0.000 1.050 370 K CA 1.490 57.780 56.287 0.005 0.000 0.935 370 K CB -0.179 32.311 32.500 -0.017 0.000 0.715 370 K HN 0.218 nan 8.250 nan 0.000 0.439 371 V N 1.269 121.110 119.914 -0.121 0.000 2.379 371 V HA -0.169 3.950 4.120 -0.000 0.000 0.245 371 V C 2.074 178.123 176.094 -0.075 0.000 1.044 371 V CA 1.377 63.538 62.300 -0.231 0.000 1.036 371 V CB -0.200 31.450 31.823 -0.289 0.000 0.664 371 V HN 0.310 nan 8.190 nan 0.000 0.453 372 L N 0.373 121.608 121.223 0.019 0.000 2.492 372 L HA 0.242 4.582 4.340 -0.000 0.000 0.223 372 L C 1.577 178.604 176.870 0.262 0.000 1.132 372 L CA 0.776 55.699 54.840 0.138 0.000 0.850 372 L CB -0.709 41.508 42.059 0.263 0.000 0.966 372 L HN 0.545 nan 8.230 nan 0.000 0.454 373 G N 1.208 110.106 108.800 0.163 0.000 2.350 373 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.298 373 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.298 373 G C -0.140 174.844 174.900 0.141 0.000 1.037 373 G CA 0.510 45.696 45.100 0.143 0.000 1.074 373 G HN 0.408 nan 8.290 nan 0.000 0.511 374 S N -0.458 115.316 115.700 0.123 0.000 2.668 374 S HA 0.494 4.964 4.470 -0.000 0.000 0.277 374 S C 0.924 175.484 174.600 -0.068 0.000 1.170 374 S CA -0.661 57.558 58.200 0.033 0.000 0.994 374 S CB 1.997 65.234 63.200 0.061 0.000 1.051 374 S HN 0.225 nan 8.310 nan 0.000 0.484 375 L N 1.589 122.758 121.223 -0.089 0.000 2.197 375 L HA -0.206 4.134 4.340 -0.000 0.000 0.215 375 L C 2.339 179.091 176.870 -0.196 0.000 1.095 375 L CA 1.638 56.419 54.840 -0.100 0.000 0.764 375 L CB -0.287 41.723 42.059 -0.083 0.000 0.897 375 L HN 0.810 nan 8.230 nan 0.000 0.436 376 E N -0.456 119.494 120.200 -0.417 0.000 2.160 376 E HA -0.218 4.132 4.350 -0.000 0.000 0.195 376 E C 2.132 178.349 176.600 -0.639 0.000 0.991 376 E CA 1.113 57.110 56.400 -0.671 0.000 0.810 376 E CB -0.109 28.833 29.700 -1.263 0.000 0.742 376 E HN 0.537 nan 8.360 nan 0.000 0.466 377 A N 0.513 123.023 122.820 -0.516 0.000 2.125 377 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 377 A C 1.849 179.590 177.584 0.263 0.000 1.156 377 A CA 0.797 52.828 52.037 -0.009 0.000 0.671 377 A CB -0.391 18.782 19.000 0.290 0.000 0.794 377 A HN 0.195 nan 8.150 nan 0.000 0.459 378 L N -1.135 120.147 121.223 0.099 0.000 2.599 378 L HA 0.075 4.415 4.340 -0.000 0.000 0.230 378 L C 0.476 177.429 176.870 0.139 0.000 1.141 378 L CA 0.393 55.301 54.840 0.113 0.000 0.877 378 L CB -0.133 41.951 42.059 0.040 0.000 1.009 378 L HN 0.314 nan 8.230 nan 0.000 0.447 379 E N 1.019 121.345 120.200 0.211 0.000 3.406 379 E HA 0.193 4.543 4.350 -0.000 0.000 0.210 379 E C -2.271 174.534 176.600 0.341 0.000 1.167 379 E CA -1.752 54.770 56.400 0.204 0.000 1.132 379 E CB 0.849 30.612 29.700 0.106 0.000 1.309 379 E HN 0.055 nan 8.360 nan 0.000 0.424 380 P HA -0.006 nan 4.420 nan 0.000 0.275 380 P C 0.428 177.805 177.300 0.128 0.000 1.227 380 P CA -0.141 63.005 63.100 0.077 0.000 0.781 380 P CB 2.054 33.728 31.700 -0.043 0.000 0.906 381 V N 1.621 121.627 119.914 0.154 0.000 3.471 381 V HA 0.101 4.221 4.120 -0.000 0.000 0.258 381 V C 0.717 176.961 176.094 0.251 0.000 1.192 381 V CA 1.042 63.451 62.300 0.183 0.000 1.116 381 V CB -0.674 31.263 31.823 0.190 0.000 0.792 381 V HN 0.694 nan 8.190 nan 0.000 0.459 382 H N -1.709 117.453 119.070 0.153 0.000 2.969 382 H HA 0.297 4.853 4.556 -0.000 0.000 0.304 382 H C -2.347 173.213 175.328 0.386 0.000 1.400 382 H CA -0.461 55.699 56.048 0.186 0.000 1.182 382 H CB 1.734 31.519 29.762 0.039 0.000 1.865 382 H HN 0.003 nan 8.280 nan 0.000 0.512 383 Y N 1.784 121.764 120.300 -0.533 0.000 2.479 383 Y HA 0.350 4.900 4.550 -0.000 0.000 0.338 383 Y C -1.630 174.086 175.900 -0.306 0.000 1.055 383 Y CA -0.548 57.414 58.100 -0.229 0.000 1.023 383 Y CB 1.666 40.047 38.460 -0.132 0.000 1.287 383 Y HN 0.531 nan 8.280 nan 0.000 0.447 384 E N 4.464 124.297 120.200 -0.612 0.000 2.293 384 E HA 0.357 4.707 4.350 -0.000 0.000 0.270 384 E C -1.492 174.688 176.600 -0.701 0.000 0.879 384 E CA -0.764 55.325 56.400 -0.519 0.000 0.756 384 E CB 2.520 32.159 29.700 -0.100 0.000 1.208 384 E HN 0.777 nan 8.360 nan 0.000 0.428 385 E N 0.654 120.573 120.200 -0.468 0.000 2.356 385 E HA 0.665 5.015 4.350 -0.000 0.000 0.275 385 E C -1.163 175.395 176.600 -0.070 0.000 0.904 385 E CA -1.061 55.193 56.400 -0.243 0.000 0.757 385 E CB 2.425 32.002 29.700 -0.204 0.000 1.232 385 E HN 0.086 nan 8.360 nan 0.000 0.442 386 K N 1.583 121.998 120.400 0.025 0.000 2.426 386 K HA 0.340 4.660 4.320 -0.000 0.000 0.254 386 K C -1.526 175.070 176.600 -0.008 0.000 0.936 386 K CA -0.682 55.574 56.287 -0.052 0.000 0.801 386 K CB 1.526 33.947 32.500 -0.130 0.000 1.139 386 K HN 0.503 nan 8.250 nan 0.000 0.424 387 N N 4.310 122.957 118.700 -0.090 0.000 2.589 387 N HA 0.153 4.893 4.740 -0.000 0.000 0.232 387 N C -0.352 175.127 175.510 -0.052 0.000 1.015 387 N CA -0.513 52.545 53.050 0.013 0.000 0.931 387 N CB 0.220 38.722 38.487 0.025 0.000 1.150 387 N HN 0.656 nan 8.380 nan 0.000 0.512 388 W N 1.996 123.344 121.300 0.080 0.000 2.421 388 W HA -0.048 4.612 4.660 -0.000 0.000 0.270 388 W C 2.025 178.567 176.519 0.039 0.000 1.233 388 W CA 0.067 57.454 57.345 0.070 0.000 1.226 388 W CB -0.449 29.064 29.460 0.089 0.000 1.121 388 W HN 0.556 nan 8.180 nan 0.000 0.579 389 C N 0.658 120.075 119.300 0.195 0.000 2.397 389 C HA -0.219 4.240 4.460 -0.000 0.000 0.286 389 C C 2.228 177.253 174.990 0.058 0.000 1.308 389 C CA 1.738 60.821 59.018 0.108 0.000 1.805 389 C CB -1.587 26.197 27.740 0.073 0.000 1.952 389 C HN 0.513 nan 8.230 nan 0.000 0.518 390 E N 0.160 120.374 120.200 0.024 0.000 2.481 390 E HA 0.072 4.422 4.350 -0.000 0.000 0.198 390 E C -0.189 176.393 176.600 -0.031 0.000 1.027 390 E CA 0.024 56.415 56.400 -0.014 0.000 0.900 390 E CB -0.081 29.599 29.700 -0.032 0.000 0.993 390 E HN 0.469 nan 8.360 nan 0.000 0.482 391 E N 2.143 122.344 120.200 0.002 0.000 2.180 391 E HA 0.003 4.353 4.350 -0.000 0.000 0.283 391 E C 0.418 177.016 176.600 -0.003 0.000 1.061 391 E CA 0.000 56.405 56.400 0.007 0.000 0.861 391 E CB 1.695 31.451 29.700 0.092 0.000 1.056 391 E HN 0.347 nan 8.360 nan 0.000 0.407 392 Q N 3.118 122.859 119.800 -0.097 0.000 2.079 392 Q HA -0.152 4.188 4.340 -0.000 0.000 0.200 392 Q C 0.310 176.108 176.000 -0.337 0.000 0.974 392 Q CA 1.407 57.040 55.803 -0.282 0.000 0.840 392 Q CB 0.097 28.534 28.738 -0.502 0.000 0.898 392 Q HN 0.584 nan 8.270 nan 0.000 0.430 393 Y N -0.433 119.895 120.300 0.047 0.000 2.596 393 Y HA 0.231 4.780 4.550 -0.000 0.000 0.316 393 Y C 1.218 177.177 175.900 0.098 0.000 1.156 393 Y CA -0.314 57.821 58.100 0.060 0.000 1.300 393 Y CB 0.668 39.154 38.460 0.044 0.000 1.130 393 Y HN 0.061 nan 8.280 nan 0.000 0.518 394 S N -1.839 113.973 115.700 0.187 0.000 3.171 394 S HA 0.298 4.768 4.470 -0.000 0.000 0.258 394 S C 1.776 176.461 174.600 0.141 0.000 1.083 394 S CA 0.534 58.861 58.200 0.210 0.000 0.801 394 S CB 0.420 63.831 63.200 0.351 0.000 0.831 394 S HN 0.545 nan 8.310 nan 0.000 0.462 395 G N 0.958 109.820 108.800 0.105 0.000 2.253 395 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.251 395 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.251 395 G C 0.560 175.509 174.900 0.081 0.000 0.998 395 G CA 0.290 45.425 45.100 0.058 0.000 0.621 395 G HN 1.412 nan 8.290 nan 0.000 0.524 396 G N -2.350 106.534 108.800 0.141 0.000 2.333 396 G HA2 0.546 4.506 3.960 -0.000 0.000 0.288 396 G HA3 0.546 4.506 3.960 -0.000 0.000 0.288 396 G C -1.212 173.767 174.900 0.132 0.000 1.286 396 G CA 0.387 45.571 45.100 0.140 0.000 0.865 396 G HN 1.477 nan 8.290 nan 0.000 0.506 397 C N -1.540 117.779 119.300 0.031 0.000 3.307 397 C HA 0.562 5.021 4.460 -0.000 0.000 0.333 397 C C 0.635 175.446 174.990 -0.298 0.000 1.291 397 C CA -0.694 58.266 59.018 -0.098 0.000 1.273 397 C CB 0.635 28.225 27.740 -0.250 0.000 1.580 397 C HN 0.745 nan 8.230 nan 0.000 0.481 398 Y N 0.710 120.939 120.300 -0.119 0.000 2.365 398 Y HA 0.231 4.781 4.550 -0.000 0.000 0.293 398 Y C 1.610 177.474 175.900 -0.061 0.000 1.119 398 Y CA 1.216 59.220 58.100 -0.160 0.000 1.203 398 Y CB -0.391 37.947 38.460 -0.203 0.000 1.026 398 Y HN 0.688 nan 8.280 nan 0.000 0.549 399 T N -1.868 112.771 114.554 0.142 0.000 2.618 399 T HA 0.414 4.764 4.350 -0.000 0.000 0.286 399 T C -0.605 174.201 174.700 0.177 0.000 1.027 399 T CA -0.634 61.586 62.100 0.201 0.000 1.063 399 T CB 1.210 70.279 68.868 0.334 0.000 1.440 399 T HN -0.127 nan 8.240 nan 0.000 0.505 400 T N 1.988 116.675 114.554 0.222 0.000 2.845 400 T HA 0.587 4.937 4.350 -0.000 0.000 0.288 400 T C -1.182 173.570 174.700 0.086 0.000 0.980 400 T CA -0.132 62.024 62.100 0.094 0.000 1.071 400 T CB -0.005 68.915 68.868 0.087 0.000 0.941 400 T HN 0.492 nan 8.240 nan 0.000 0.487 401 Y N 0.961 121.079 120.300 -0.303 0.000 2.509 401 Y HA 0.806 5.356 4.550 -0.000 0.000 0.341 401 Y C -1.504 173.933 175.900 -0.771 0.000 1.038 401 Y CA -2.047 55.554 58.100 -0.832 0.000 1.089 401 Y CB 0.795 38.837 38.460 -0.697 0.000 1.241 401 Y HN 0.383 nan 8.280 nan 0.000 0.468 402 F N 3.599 122.777 119.950 -1.287 0.000 2.411 402 F HA 0.566 5.092 4.527 -0.000 0.000 0.352 402 F C -2.291 173.365 175.800 -0.240 0.000 1.123 402 F CA -2.970 54.632 58.000 -0.663 0.000 1.044 402 F CB 1.356 40.042 39.000 -0.524 0.000 1.135 402 F HN 0.357 nan 8.300 nan 0.000 0.461 403 P HA 0.101 nan 4.420 nan 0.000 0.272 403 P C -2.502 174.867 177.300 0.115 0.000 1.240 403 P CA -1.093 62.048 63.100 0.068 0.000 0.791 403 P CB -0.199 31.483 31.700 -0.031 0.000 0.978 404 P HA -0.093 nan 4.420 nan 0.000 0.263 404 P C 0.968 178.344 177.300 0.127 0.000 1.175 404 P CA 1.418 64.604 63.100 0.143 0.000 0.761 404 P CB -0.102 31.668 31.700 0.116 0.000 0.794 405 G N 2.574 111.466 108.800 0.152 0.000 2.199 405 G HA2 -0.267 3.692 3.960 -0.000 0.000 0.254 405 G HA3 -0.267 3.692 3.960 -0.000 0.000 0.254 405 G C 0.772 175.773 174.900 0.167 0.000 0.982 405 G CA 0.114 45.296 45.100 0.136 0.000 0.632 405 G HN 0.465 nan 8.290 nan 0.000 0.529 406 I N -0.038 120.654 120.570 0.203 0.000 2.867 406 I HA 0.204 4.373 4.170 -0.000 0.000 0.265 406 I C 2.536 178.879 176.117 0.378 0.000 1.162 406 I CA 0.965 62.425 61.300 0.267 0.000 1.471 406 I CB -0.898 37.162 38.000 0.100 0.000 1.123 406 I HN 0.271 nan 8.210 nan 0.000 0.440 407 L N 1.386 122.843 121.223 0.389 0.000 2.017 407 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 407 L C 2.670 179.628 176.870 0.147 0.000 1.073 407 L CA 2.628 57.619 54.840 0.251 0.000 0.745 407 L CB -1.037 41.092 42.059 0.117 0.000 0.894 407 L HN 0.391 nan 8.230 nan 0.000 0.432 408 T N -3.680 110.962 114.554 0.147 0.000 2.746 408 T HA -0.193 4.157 4.350 -0.000 0.000 0.267 408 T C 1.832 176.477 174.700 -0.091 0.000 1.039 408 T CA 1.219 63.363 62.100 0.073 0.000 1.142 408 T CB -0.441 68.479 68.868 0.087 0.000 0.866 408 T HN 0.369 nan 8.240 nan 0.000 0.444 409 Q N 0.143 119.900 119.800 -0.073 0.000 2.096 409 Q HA 0.070 4.410 4.340 -0.000 0.000 0.197 409 Q C 1.278 176.964 176.000 -0.523 0.000 0.964 409 Q CA 1.337 56.969 55.803 -0.285 0.000 0.838 409 Q CB -0.131 28.461 28.738 -0.242 0.000 0.906 409 Q HN 0.777 nan 8.270 nan 0.000 0.444 410 Y N -1.158 119.065 120.300 -0.127 0.000 2.527 410 Y HA 0.260 4.809 4.550 -0.000 0.000 0.247 410 Y C 1.916 177.702 175.900 -0.190 0.000 1.138 410 Y CA -0.013 57.999 58.100 -0.146 0.000 1.228 410 Y CB 0.277 38.681 38.460 -0.093 0.000 1.252 410 Y HN 0.090 nan 8.280 nan 0.000 0.531 411 G N 1.880 110.565 108.800 -0.191 0.000 2.586 411 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.218 411 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.218 411 G C 1.691 176.158 174.900 -0.720 0.000 1.216 411 G CA 1.180 46.015 45.100 -0.443 0.000 0.786 411 G HN 0.339 nan 8.290 nan 0.000 0.583 412 R N 0.897 120.712 120.500 -1.143 0.000 2.346 412 R HA 0.113 4.453 4.340 -0.000 0.000 0.199 412 R C 1.698 177.841 176.300 -0.261 0.000 1.015 412 R CA 0.607 56.278 56.100 -0.715 0.000 1.058 412 R CB -0.700 29.234 30.300 -0.611 0.000 0.921 412 R HN 0.356 nan 8.270 nan 0.000 0.475 413 V N 1.079 120.863 119.914 -0.216 0.000 2.788 413 V HA -0.083 4.037 4.120 -0.000 0.000 0.251 413 V C 2.414 178.433 176.094 -0.125 0.000 1.068 413 V CA 0.773 62.995 62.300 -0.130 0.000 1.090 413 V CB -0.353 31.417 31.823 -0.087 0.000 0.710 413 V HN 0.186 nan 8.190 nan 0.000 0.467 414 L N 0.705 121.886 121.223 -0.069 0.000 2.046 414 L HA -0.146 4.193 4.340 -0.000 0.000 0.208 414 L C 2.372 179.203 176.870 -0.064 0.000 1.077 414 L CA 1.963 56.765 54.840 -0.064 0.000 0.747 414 L CB -0.258 41.858 42.059 0.096 0.000 0.896 414 L HN 0.429 nan 8.230 nan 0.000 0.432 415 R N -0.465 120.093 120.500 0.096 0.000 2.586 415 R HA 0.156 4.496 4.340 -0.000 0.000 0.336 415 R C 0.343 176.792 176.300 0.248 0.000 1.060 415 R CA -0.235 56.003 56.100 0.230 0.000 1.079 415 R CB 0.050 30.532 30.300 0.304 0.000 1.317 415 R HN 0.195 nan 8.270 nan 0.000 0.568 416 Q N 2.460 122.350 119.800 0.150 0.000 2.295 416 Q HA 0.268 4.608 4.340 -0.000 0.000 0.259 416 Q C -2.174 173.939 176.000 0.189 0.000 0.976 416 Q CA -2.282 53.598 55.803 0.128 0.000 0.923 416 Q CB 1.192 29.954 28.738 0.040 0.000 1.185 416 Q HN 0.091 nan 8.270 nan 0.000 0.410 417 P HA -0.060 nan 4.420 nan 0.000 0.266 417 P C -1.211 176.051 177.300 -0.063 0.000 1.195 417 P CA 0.020 63.011 63.100 -0.182 0.000 0.768 417 P CB 0.627 31.993 31.700 -0.557 0.000 0.838 418 V N 3.644 123.523 119.914 -0.058 0.000 2.239 418 V HA 0.140 4.260 4.120 -0.000 0.000 0.267 418 V C 0.663 176.705 176.094 -0.087 0.000 1.056 418 V CA 0.234 62.520 62.300 -0.024 0.000 0.830 418 V CB -0.114 31.743 31.823 0.057 0.000 1.090 418 V HN 0.781 nan 8.190 nan 0.000 0.459 419 D N 3.629 123.980 120.400 -0.082 0.000 4.529 419 D HA -0.286 4.354 4.640 -0.000 0.000 0.151 419 D C 1.407 177.686 176.300 -0.035 0.000 0.685 419 D CA 2.315 56.290 54.000 -0.042 0.000 1.198 419 D CB -0.326 40.465 40.800 -0.015 0.000 0.658 419 D HN 0.526 nan 8.370 nan 0.000 0.542 420 R N 0.031 120.536 120.500 0.008 0.000 2.397 420 R HA 0.435 4.774 4.340 -0.000 0.000 0.241 420 R C -0.028 176.377 176.300 0.176 0.000 0.914 420 R CA -0.114 56.083 56.100 0.161 0.000 1.071 420 R CB 0.471 30.786 30.300 0.025 0.000 1.116 420 R HN 0.311 nan 8.270 nan 0.000 0.524 421 I N 1.608 122.130 120.570 -0.079 0.000 2.352 421 I HA 0.152 4.322 4.170 -0.000 0.000 0.290 421 I C -0.568 175.205 176.117 -0.573 0.000 1.036 421 I CA -0.317 60.843 61.300 -0.232 0.000 1.336 421 I CB 0.438 38.266 38.000 -0.288 0.000 1.407 421 I HN -0.066 nan 8.210 nan 0.000 0.497 422 Y N 5.510 125.553 120.300 -0.429 0.000 2.509 422 Y HA 0.517 5.067 4.550 -0.000 0.000 0.341 422 Y C -0.479 175.118 175.900 -0.505 0.000 1.038 422 Y CA -0.797 57.078 58.100 -0.376 0.000 1.089 422 Y CB 1.664 40.042 38.460 -0.136 0.000 1.241 422 Y HN 0.287 nan 8.280 nan 0.000 0.468 423 F N 1.438 121.501 119.950 0.189 0.000 2.427 423 F HA 0.697 5.224 4.527 -0.000 0.000 0.348 423 F C 0.464 176.344 175.800 0.133 0.000 1.125 423 F CA -0.560 57.523 58.000 0.138 0.000 0.989 423 F CB 1.139 40.202 39.000 0.106 0.000 1.165 423 F HN 0.634 nan 8.300 nan 0.000 0.442 424 A N 2.581 125.570 122.820 0.282 0.000 3.696 424 A HA 0.928 5.248 4.320 -0.000 0.000 0.156 424 A C 0.531 178.250 177.584 0.226 0.000 1.732 424 A CA -0.274 51.885 52.037 0.204 0.000 1.004 424 A CB -0.441 18.637 19.000 0.130 0.000 1.799 424 A HN 1.407 nan 8.150 nan 0.000 0.665 425 G N -2.560 106.351 108.800 0.185 0.000 2.722 425 G HA2 0.038 3.998 3.960 -0.000 0.000 0.686 425 G HA3 0.038 3.998 3.960 -0.000 0.000 0.686 425 G C 0.513 175.542 174.900 0.214 0.000 1.282 425 G CA 0.683 45.896 45.100 0.189 0.000 0.817 425 G HN 1.613 nan 8.290 nan 0.000 0.605 426 T N -0.097 114.586 114.554 0.215 0.000 2.803 426 T HA -0.113 4.237 4.350 -0.000 0.000 0.269 426 T C 2.135 177.029 174.700 0.323 0.000 1.052 426 T CA 2.335 64.588 62.100 0.255 0.000 1.136 426 T CB -0.309 68.705 68.868 0.244 0.000 0.864 426 T HN 0.693 nan 8.240 nan 0.000 0.467 427 E N 0.758 121.154 120.200 0.327 0.000 2.409 427 E HA -0.078 4.272 4.350 -0.000 0.000 0.198 427 E C 1.941 178.787 176.600 0.410 0.000 1.024 427 E CA 1.407 58.051 56.400 0.407 0.000 0.861 427 E CB -0.629 29.289 29.700 0.362 0.000 0.788 427 E HN 0.746 nan 8.360 nan 0.000 0.521 428 T N -2.043 112.718 114.554 0.345 0.000 3.086 428 T HA 0.491 4.841 4.350 -0.000 0.000 0.250 428 T C 0.951 175.879 174.700 0.380 0.000 1.074 428 T CA 0.090 62.397 62.100 0.345 0.000 0.988 428 T CB 0.295 69.343 68.868 0.299 0.000 0.988 428 T HN 0.195 nan 8.240 nan 0.000 0.530 429 A N 0.786 123.833 122.820 0.378 0.000 2.256 429 A HA 0.599 4.919 4.320 -0.000 0.000 0.276 429 A C 1.355 179.199 177.584 0.435 0.000 1.259 429 A CA 0.074 52.339 52.037 0.380 0.000 0.813 429 A CB -0.004 19.187 19.000 0.319 0.000 1.200 429 A HN 0.271 nan 8.150 nan 0.000 0.506 430 T N -1.807 112.971 114.554 0.373 0.000 3.029 430 T HA 0.206 4.556 4.350 -0.000 0.000 0.256 430 T C -0.163 174.643 174.700 0.177 0.000 0.914 430 T CA 0.191 62.477 62.100 0.309 0.000 0.880 430 T CB -0.154 68.894 68.868 0.300 0.000 1.246 430 T HN 0.675 nan 8.240 nan 0.000 0.523 431 H N -1.149 117.947 119.070 0.043 0.000 2.782 431 H HA 0.225 4.781 4.556 -0.000 0.000 0.347 431 H C -0.839 174.506 175.328 0.029 0.000 1.038 431 H CA -0.735 55.262 56.048 -0.084 0.000 1.255 431 H CB 0.915 30.692 29.762 0.025 0.000 1.623 431 H HN 0.323 nan 8.280 nan 0.000 0.525 432 W N 2.274 123.288 121.300 -0.476 0.000 5.538 432 W HA -0.246 4.414 4.660 -0.000 0.000 0.377 432 W C 0.471 176.939 176.519 -0.085 0.000 1.406 432 W CA 0.969 58.041 57.345 -0.456 0.000 0.940 432 W CB -1.496 27.652 29.460 -0.520 0.000 2.536 432 W HN 0.366 nan 8.180 nan 0.000 1.504 433 S N 0.451 116.189 115.700 0.064 0.000 2.560 433 S HA 0.449 4.919 4.470 -0.000 0.000 0.284 433 S C 1.346 176.160 174.600 0.357 0.000 1.327 433 S CA 1.438 59.789 58.200 0.252 0.000 1.055 433 S CB 1.067 64.464 63.200 0.328 0.000 0.868 433 S HN 1.328 nan 8.310 nan 0.000 0.506 434 G N 2.822 111.892 108.800 0.450 0.000 2.259 434 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.217 434 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.217 434 G C -0.227 174.777 174.900 0.174 0.000 1.001 434 G CA 0.162 45.522 45.100 0.434 0.000 0.627 434 G HN 0.689 nan 8.290 nan 0.000 0.501 435 Y N -0.267 120.148 120.300 0.193 0.000 2.621 435 Y HA 0.711 5.261 4.550 -0.000 0.000 0.334 435 Y C 2.011 177.961 175.900 0.083 0.000 1.074 435 Y CA -0.744 57.420 58.100 0.108 0.000 1.149 435 Y CB 0.845 39.354 38.460 0.082 0.000 1.302 435 Y HN -0.020 nan 8.280 nan 0.000 0.501 436 M N -0.171 119.551 119.600 0.203 0.000 2.106 436 M HA -0.231 4.249 4.480 -0.000 0.000 0.259 436 M C 1.856 178.232 176.300 0.128 0.000 1.068 436 M CA 2.070 57.452 55.300 0.137 0.000 1.100 436 M CB -0.301 32.371 32.600 0.120 0.000 1.351 436 M HN 0.806 nan 8.290 nan 0.000 0.404 437 E N 0.724 120.981 120.200 0.095 0.000 2.033 437 E HA -0.174 4.176 4.350 -0.000 0.000 0.199 437 E C 1.954 178.651 176.600 0.161 0.000 1.011 437 E CA 2.243 58.682 56.400 0.066 0.000 0.815 437 E CB -0.791 28.854 29.700 -0.093 0.000 0.755 437 E HN 0.437 nan 8.360 nan 0.000 0.451 438 G N 0.204 109.144 108.800 0.234 0.000 2.505 438 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.220 438 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.220 438 G C 1.741 176.765 174.900 0.207 0.000 1.145 438 G CA 1.642 46.893 45.100 0.251 0.000 0.761 438 G HN 0.517 nan 8.290 nan 0.000 0.571 439 A N -0.255 122.674 122.820 0.182 0.000 1.972 439 A HA 0.114 4.434 4.320 -0.000 0.000 0.219 439 A C 2.598 180.253 177.584 0.119 0.000 1.169 439 A CA 1.868 53.995 52.037 0.150 0.000 0.635 439 A CB -0.396 18.680 19.000 0.128 0.000 0.810 439 A HN 0.293 nan 8.150 nan 0.000 0.446 440 V N -0.334 119.646 119.914 0.109 0.000 2.283 440 V HA -0.218 3.902 4.120 -0.000 0.000 0.243 440 V C 2.453 178.598 176.094 0.085 0.000 1.039 440 V CA 1.941 64.290 62.300 0.081 0.000 1.016 440 V CB -0.737 31.128 31.823 0.069 0.000 0.650 440 V HN 0.707 nan 8.190 nan 0.000 0.449 441 E N 0.403 120.675 120.200 0.121 0.000 2.086 441 E HA -0.345 4.005 4.350 -0.000 0.000 0.205 441 E C 2.202 178.850 176.600 0.079 0.000 1.027 441 E CA 2.115 58.592 56.400 0.129 0.000 0.830 441 E CB -0.210 29.616 29.700 0.210 0.000 0.751 441 E HN 0.541 nan 8.360 nan 0.000 0.456 442 A N 0.549 123.437 122.820 0.114 0.000 1.873 442 A HA -0.070 4.250 4.320 -0.000 0.000 0.215 442 A C 2.459 180.070 177.584 0.045 0.000 1.186 442 A CA 1.821 53.915 52.037 0.095 0.000 0.616 442 A CB -1.176 17.924 19.000 0.166 0.000 0.823 442 A HN 0.466 nan 8.150 nan 0.000 0.442 443 G N -0.192 108.642 108.800 0.057 0.000 2.476 443 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.218 443 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.218 443 G C 1.444 176.339 174.900 -0.009 0.000 1.164 443 G CA 1.113 46.233 45.100 0.034 0.000 0.768 443 G HN 0.676 nan 8.290 nan 0.000 0.560 444 E N -0.202 119.986 120.200 -0.020 0.000 2.046 444 E HA -0.050 4.299 4.350 -0.000 0.000 0.190 444 E C 2.539 179.071 176.600 -0.114 0.000 0.982 444 E CA 0.296 56.666 56.400 -0.050 0.000 0.800 444 E CB -0.187 29.497 29.700 -0.027 0.000 0.756 444 E HN 0.304 nan 8.360 nan 0.000 0.449 445 R N 1.309 121.708 120.500 -0.169 0.000 2.080 445 R HA -0.181 4.159 4.340 -0.000 0.000 0.236 445 R C 2.323 178.461 176.300 -0.270 0.000 1.137 445 R CA 1.564 57.459 56.100 -0.341 0.000 0.943 445 R CB -0.395 29.544 30.300 -0.601 0.000 0.846 445 R HN 0.147 nan 8.270 nan 0.000 0.431 446 A N 0.867 123.593 122.820 -0.155 0.000 1.903 446 A HA -0.210 4.110 4.320 -0.000 0.000 0.219 446 A C 2.426 179.910 177.584 -0.168 0.000 1.191 446 A CA 2.268 54.252 52.037 -0.090 0.000 0.638 446 A CB -0.895 18.110 19.000 0.008 0.000 0.823 446 A HN 0.605 nan 8.150 nan 0.000 0.451 447 A N -0.669 122.066 122.820 -0.141 0.000 1.902 447 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 447 A C 2.252 179.713 177.584 -0.205 0.000 1.181 447 A CA 1.508 53.450 52.037 -0.159 0.000 0.623 447 A CB -0.478 18.464 19.000 -0.097 0.000 0.818 447 A HN 0.539 nan 8.150 nan 0.000 0.443 448 R N -0.526 119.864 120.500 -0.184 0.000 2.148 448 R HA -0.101 4.239 4.340 -0.000 0.000 0.227 448 R C 2.030 178.212 176.300 -0.197 0.000 1.103 448 R CA 1.255 57.253 56.100 -0.170 0.000 0.983 448 R CB -0.261 29.946 30.300 -0.156 0.000 0.874 448 R HN 0.684 nan 8.270 nan 0.000 0.451 449 E N 0.592 120.638 120.200 -0.258 0.000 2.085 449 E HA -0.190 4.160 4.350 -0.000 0.000 0.194 449 E C 1.976 178.294 176.600 -0.470 0.000 0.994 449 E CA 1.123 57.362 56.400 -0.269 0.000 0.801 449 E CB -0.053 29.526 29.700 -0.200 0.000 0.743 449 E HN 0.319 nan 8.360 nan 0.000 0.453 450 I N 0.934 121.091 120.570 -0.689 0.000 2.252 450 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 450 I C 2.363 178.149 176.117 -0.552 0.000 1.102 450 I CA 0.706 61.479 61.300 -0.878 0.000 1.385 450 I CB -0.155 37.347 38.000 -0.830 0.000 1.064 450 I HN 0.148 nan 8.210 nan 0.000 0.414 451 L N 0.120 121.147 121.223 -0.327 0.000 1.990 451 L HA -0.323 4.017 4.340 -0.000 0.000 0.213 451 L C 2.762 179.545 176.870 -0.145 0.000 1.072 451 L CA 2.086 56.809 54.840 -0.194 0.000 0.755 451 L CB -0.995 40.990 42.059 -0.122 0.000 0.889 451 L HN 0.390 nan 8.230 nan 0.000 0.432 452 H N -0.192 118.765 119.070 -0.190 0.000 2.421 452 H HA -0.132 4.423 4.556 -0.000 0.000 0.298 452 H C 2.043 177.313 175.328 -0.096 0.000 1.087 452 H CA 1.516 57.496 56.048 -0.114 0.000 1.330 452 H CB 0.115 29.828 29.762 -0.080 0.000 1.388 452 H HN 0.320 nan 8.280 nan 0.000 0.526 453 A N 0.437 123.126 122.820 -0.219 0.000 1.969 453 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 453 A C 2.179 179.682 177.584 -0.135 0.000 1.169 453 A CA 1.478 53.412 52.037 -0.172 0.000 0.635 453 A CB -0.477 18.438 19.000 -0.142 0.000 0.810 453 A HN 0.553 nan 8.150 nan 0.000 0.445 454 M N -0.721 118.776 119.600 -0.172 0.000 2.618 454 M HA 0.153 4.633 4.480 -0.000 0.000 0.240 454 M C 1.173 177.421 176.300 -0.087 0.000 1.123 454 M CA 0.619 55.879 55.300 -0.067 0.000 1.060 454 M CB -0.035 32.528 32.600 -0.062 0.000 1.535 454 M HN 0.559 nan 8.290 nan 0.000 0.507 455 G N 1.803 110.503 108.800 -0.167 0.000 2.295 455 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.287 455 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.287 455 G C 0.678 175.527 174.900 -0.086 0.000 1.055 455 G CA 0.397 45.406 45.100 -0.153 0.000 0.922 455 G HN 0.521 nan 8.290 nan 0.000 0.503 456 K N -1.012 119.341 120.400 -0.078 0.000 2.354 456 K HA 0.347 4.667 4.320 -0.000 0.000 0.194 456 K C 1.088 177.676 176.600 -0.021 0.000 1.045 456 K CA 1.134 57.395 56.287 -0.045 0.000 1.026 456 K CB 0.536 33.006 32.500 -0.051 0.000 0.866 456 K HN 0.792 nan 8.250 nan 0.000 0.530 457 I N -2.059 118.511 120.570 -0.000 0.000 2.913 457 I HA 0.416 4.586 4.170 -0.000 0.000 0.302 457 I C -3.013 173.186 176.117 0.136 0.000 1.246 457 I CA -2.833 58.493 61.300 0.044 0.000 1.010 457 I CB 2.177 40.195 38.000 0.030 0.000 1.259 457 I HN -0.238 nan 8.210 nan 0.000 0.434 458 P HA 0.087 nan 4.420 nan 0.000 0.272 458 P C 0.218 177.626 177.300 0.181 0.000 1.240 458 P CA -0.027 63.186 63.100 0.189 0.000 0.791 458 P CB 1.059 32.816 31.700 0.095 0.000 0.978 459 E N 0.692 120.929 120.200 0.061 0.000 2.085 459 E HA -0.307 4.043 4.350 -0.000 0.000 0.194 459 E C 1.306 177.866 176.600 -0.066 0.000 0.994 459 E CA 1.682 57.913 56.400 -0.282 0.000 0.801 459 E CB -0.505 29.058 29.700 -0.228 0.000 0.743 459 E HN 0.450 nan 8.360 nan 0.000 0.453 460 D N 0.352 120.758 120.400 0.010 0.000 3.181 460 D HA -0.263 4.377 4.640 -0.000 0.000 0.190 460 D C 1.378 177.709 176.300 0.051 0.000 1.155 460 D CA 2.119 56.142 54.000 0.038 0.000 0.901 460 D CB -0.064 40.760 40.800 0.041 0.000 0.891 460 D HN 0.320 nan 8.370 nan 0.000 0.498 461 E N -1.652 118.568 120.200 0.035 0.000 2.501 461 E HA 0.195 4.545 4.350 -0.000 0.000 0.201 461 E C 1.704 178.307 176.600 0.005 0.000 1.016 461 E CA -0.276 56.143 56.400 0.031 0.000 0.920 461 E CB 0.342 30.058 29.700 0.026 0.000 1.023 461 E HN 0.418 nan 8.360 nan 0.000 0.474 462 I N -0.298 120.262 120.570 -0.016 0.000 2.193 462 I HA -0.135 4.035 4.170 -0.000 0.000 0.240 462 I C 0.385 176.376 176.117 -0.210 0.000 1.084 462 I CA 0.835 62.052 61.300 -0.139 0.000 1.365 462 I CB 0.003 37.886 38.000 -0.195 0.000 1.064 462 I HN 0.113 nan 8.210 nan 0.000 0.410 463 W N 2.343 123.638 121.300 -0.008 0.000 2.387 463 W HA 0.424 5.084 4.660 -0.000 0.000 0.310 463 W C 0.180 176.700 176.519 0.001 0.000 1.181 463 W CA -0.195 57.153 57.345 0.006 0.000 1.333 463 W CB 0.235 29.698 29.460 0.006 0.000 1.286 463 W HN 0.037 nan 8.180 nan 0.000 0.455 464 Q N 2.113 122.012 119.800 0.165 0.000 2.274 464 Q HA 0.400 4.740 4.340 -0.000 0.000 0.260 464 Q C 0.405 176.474 176.000 0.114 0.000 0.974 464 Q CA -0.512 55.357 55.803 0.110 0.000 0.876 464 Q CB 1.573 30.343 28.738 0.054 0.000 1.297 464 Q HN 0.536 nan 8.270 nan 0.000 0.446 465 S N 1.605 117.353 115.700 0.079 0.000 2.645 465 S HA 0.428 4.898 4.470 -0.000 0.000 0.266 465 S C -0.395 174.232 174.600 0.045 0.000 1.258 465 S CA -0.698 57.534 58.200 0.053 0.000 0.990 465 S CB 1.459 64.673 63.200 0.024 0.000 0.967 465 S HN 0.606 nan 8.310 nan 0.000 0.556 466 E N 0.720 120.942 120.200 0.037 0.000 2.224 466 E HA 0.574 4.923 4.350 -0.000 0.000 0.265 466 E C -2.838 173.780 176.600 0.030 0.000 0.878 466 E CA -2.076 54.347 56.400 0.040 0.000 0.759 466 E CB 1.052 30.787 29.700 0.058 0.000 1.164 466 E HN 0.548 nan 8.360 nan 0.000 0.414 467 P HA 0.061 nan 4.420 nan 0.000 0.268 467 P C -0.728 176.586 177.300 0.024 0.000 1.204 467 P CA -0.139 62.974 63.100 0.020 0.000 0.768 467 P CB 0.535 32.246 31.700 0.018 0.000 0.842 468 E N 2.160 122.372 120.200 0.021 0.000 2.442 468 E HA 0.067 4.416 4.350 -0.000 0.000 0.262 468 E C -0.081 176.531 176.600 0.019 0.000 1.004 468 E CA -0.306 56.107 56.400 0.023 0.000 0.928 468 E CB 0.430 30.140 29.700 0.018 0.000 0.937 468 E HN 0.367 nan 8.360 nan 0.000 0.446 469 S N 2.589 118.299 115.700 0.018 0.000 2.562 469 S HA 0.021 4.491 4.470 -0.000 0.000 0.281 469 S C 0.899 175.505 174.600 0.011 0.000 1.333 469 S CA -0.598 57.611 58.200 0.014 0.000 1.052 469 S CB 1.098 64.303 63.200 0.009 0.000 0.884 469 S HN 0.475 nan 8.310 nan 0.000 0.506 470 V N 3.976 123.897 119.914 0.012 0.000 2.446 470 V HA -0.035 4.085 4.120 -0.000 0.000 0.244 470 V C 1.918 178.017 176.094 0.009 0.000 1.039 470 V CA 1.710 64.016 62.300 0.011 0.000 1.045 470 V CB -0.531 31.299 31.823 0.012 0.000 0.681 470 V HN 0.873 nan 8.190 nan 0.000 0.459 471 D N 0.430 120.837 120.400 0.011 0.000 2.269 471 D HA -0.047 4.593 4.640 -0.000 0.000 0.208 471 D C 0.662 176.962 176.300 -0.000 0.000 0.963 471 D CA 1.100 55.106 54.000 0.010 0.000 0.864 471 D CB 0.373 41.184 40.800 0.018 0.000 0.936 471 D HN 0.411 nan 8.370 nan 0.000 0.505 472 V N 3.025 122.935 119.914 -0.007 0.000 2.384 472 V HA 0.184 4.304 4.120 -0.000 0.000 0.257 472 V C -2.380 173.705 176.094 -0.015 0.000 0.969 472 V CA -1.352 60.936 62.300 -0.021 0.000 0.910 472 V CB 1.072 32.868 31.823 -0.046 0.000 1.150 472 V HN -0.056 nan 8.190 nan 0.000 0.481 473 P HA 0.270 nan 4.420 nan 0.000 0.271 473 P C -0.258 177.040 177.300 -0.003 0.000 1.218 473 P CA 0.152 63.251 63.100 -0.001 0.000 0.780 473 P CB 1.384 33.084 31.700 0.001 0.000 0.901 474 A N 2.697 125.520 122.820 0.004 0.000 2.294 474 A HA 0.237 4.557 4.320 -0.000 0.000 0.316 474 A C 0.322 177.909 177.584 0.005 0.000 1.359 474 A CA -0.399 51.642 52.037 0.008 0.000 0.956 474 A CB -0.250 18.764 19.000 0.024 0.000 1.155 474 A HN 0.426 nan 8.150 nan 0.000 0.544 475 Q N 3.083 122.884 119.800 0.000 0.000 2.263 475 Q HA 0.226 4.566 4.340 -0.000 0.000 0.289 475 Q C -1.941 174.060 176.000 0.000 0.000 1.061 475 Q CA -0.679 55.124 55.803 -0.000 0.000 0.927 475 Q CB 0.450 29.187 28.738 -0.003 0.000 1.154 475 Q HN 0.581 nan 8.270 nan 0.000 0.378 476 P HA 0.125 nan 4.420 nan 0.000 0.274 476 P C -0.634 176.661 177.300 -0.008 0.000 1.246 476 P CA -0.262 62.835 63.100 -0.004 0.000 0.795 476 P CB 0.819 32.516 31.700 -0.005 0.000 1.006 477 I N 1.322 121.883 120.570 -0.015 0.000 2.396 477 I HA 0.270 4.440 4.170 -0.000 0.000 0.292 477 I C 1.005 177.111 176.117 -0.018 0.000 0.999 477 I CA -0.007 61.282 61.300 -0.018 0.000 1.310 477 I CB 0.975 38.957 38.000 -0.030 0.000 1.404 477 I HN 0.450 nan 8.210 nan 0.000 0.496 478 T N 1.343 115.890 114.554 -0.013 0.000 2.916 478 T HA 0.784 5.134 4.350 -0.000 0.000 0.292 478 T C -0.223 174.466 174.700 -0.017 0.000 1.055 478 T CA -0.745 61.349 62.100 -0.011 0.000 1.009 478 T CB 2.171 71.040 68.868 0.001 0.000 1.118 478 T HN 0.657 nan 8.240 nan 0.000 0.497 479 T N -1.193 113.349 114.554 -0.020 0.000 2.893 479 T HA 0.572 4.922 4.350 -0.000 0.000 0.293 479 T C -0.041 174.658 174.700 -0.003 0.000 1.027 479 T CA -0.773 61.306 62.100 -0.034 0.000 0.988 479 T CB 1.221 70.045 68.868 -0.073 0.000 1.043 479 T HN 0.676 nan 8.240 nan 0.000 0.461 480 T N 2.638 117.194 114.554 0.003 0.000 2.932 480 T HA 0.121 4.471 4.350 -0.000 0.000 0.312 480 T C 0.882 175.632 174.700 0.084 0.000 1.071 480 T CA -0.217 61.918 62.100 0.058 0.000 1.128 480 T CB 0.061 68.961 68.868 0.053 0.000 0.984 480 T HN 0.608 nan 8.240 nan 0.000 0.549 481 F N 2.254 122.221 119.950 0.028 0.000 2.091 481 F HA -0.144 4.383 4.527 -0.000 0.000 0.299 481 F C 1.967 177.823 175.800 0.094 0.000 1.103 481 F CA 1.579 59.627 58.000 0.080 0.000 1.228 481 F CB -0.360 38.693 39.000 0.088 0.000 0.984 481 F HN 0.499 nan 8.300 nan 0.000 0.477 482 L N 0.087 121.411 121.223 0.169 0.000 2.046 482 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 482 L C 2.451 179.292 176.870 -0.048 0.000 1.077 482 L CA 1.714 56.598 54.840 0.074 0.000 0.747 482 L CB -0.684 41.472 42.059 0.163 0.000 0.896 482 L HN 0.218 nan 8.230 nan 0.000 0.432 483 E N -0.316 119.849 120.200 -0.057 0.000 2.058 483 E HA -0.272 4.078 4.350 -0.000 0.000 0.194 483 E C 2.297 178.765 176.600 -0.220 0.000 0.997 483 E CA 1.198 57.519 56.400 -0.131 0.000 0.801 483 E CB -0.072 29.554 29.700 -0.124 0.000 0.746 483 E HN 0.357 nan 8.360 nan 0.000 0.450 484 R N -0.669 119.647 120.500 -0.307 0.000 2.189 484 R HA -0.061 4.279 4.340 -0.000 0.000 0.218 484 R C 1.443 177.314 176.300 -0.716 0.000 1.074 484 R CA 0.874 56.666 56.100 -0.514 0.000 0.991 484 R CB 0.192 30.116 30.300 -0.627 0.000 0.883 484 R HN 0.266 nan 8.270 nan 0.000 0.457 485 H N -1.571 117.294 119.070 -0.342 0.000 3.440 485 H HA 0.174 4.730 4.556 -0.000 0.000 0.259 485 H C 0.004 175.209 175.328 -0.205 0.000 1.120 485 H CA -0.231 55.615 56.048 -0.337 0.000 1.191 485 H CB 0.505 29.908 29.762 -0.598 0.000 1.537 485 H HN 0.005 nan 8.280 nan 0.000 0.547 486 L N 4.525 125.706 121.223 -0.070 0.000 2.525 486 L HA 0.043 4.382 4.340 -0.000 0.000 0.278 486 L C -1.591 175.241 176.870 -0.062 0.000 1.218 486 L CA -1.277 53.540 54.840 -0.038 0.000 0.878 486 L CB 0.183 42.226 42.059 -0.027 0.000 1.127 486 L HN -0.014 nan 8.230 nan 0.000 0.492 487 P HA 0.049 nan 4.420 nan 0.000 0.270 487 P C -0.534 176.704 177.300 -0.103 0.000 1.223 487 P CA -0.465 62.593 63.100 -0.071 0.000 0.785 487 P CB 0.648 32.309 31.700 -0.065 0.000 0.923 488 S N 0.352 115.976 115.700 -0.126 0.000 2.617 488 S HA 0.107 4.577 4.470 -0.000 0.000 0.259 488 S C 1.504 175.960 174.600 -0.240 0.000 1.301 488 S CA -0.666 57.435 58.200 -0.165 0.000 0.984 488 S CB -0.156 62.949 63.200 -0.159 0.000 0.954 488 S HN 0.221 nan 8.310 nan 0.000 0.572 489 V N 2.438 122.146 119.914 -0.343 0.000 2.295 489 V HA -0.069 4.050 4.120 -0.000 0.000 0.246 489 V C -0.439 175.250 176.094 -0.676 0.000 1.049 489 V CA 1.840 63.860 62.300 -0.467 0.000 1.024 489 V CB -1.838 29.703 31.823 -0.471 0.000 0.648 489 V HN 0.791 nan 8.190 nan 0.000 0.447 490 P HA -0.131 nan 4.420 nan 0.000 0.216 490 P C 1.807 178.903 177.300 -0.341 0.000 1.153 490 P CA 2.065 64.725 63.100 -0.732 0.000 0.848 490 P CB -0.351 31.040 31.700 -0.516 0.000 0.787 491 G N 0.430 109.077 108.800 -0.254 0.000 2.469 491 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.220 491 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.220 491 G C 1.585 176.408 174.900 -0.128 0.000 1.136 491 G CA 0.734 45.745 45.100 -0.147 0.000 0.759 491 G HN 0.260 nan 8.290 nan 0.000 0.562 492 L N 0.248 121.379 121.223 -0.155 0.000 2.027 492 L HA 0.151 4.490 4.340 -0.000 0.000 0.206 492 L C 2.755 179.560 176.870 -0.108 0.000 1.074 492 L CA 1.172 55.944 54.840 -0.112 0.000 0.745 492 L CB -0.294 41.700 42.059 -0.107 0.000 0.898 492 L HN 0.179 nan 8.230 nan 0.000 0.433 493 L N -0.664 120.464 121.223 -0.159 0.000 2.079 493 L HA -0.267 4.072 4.340 -0.000 0.000 0.210 493 L C 2.805 179.629 176.870 -0.076 0.000 1.081 493 L CA 1.445 56.212 54.840 -0.121 0.000 0.752 493 L CB -0.640 41.315 42.059 -0.172 0.000 0.896 493 L HN 0.345 nan 8.230 nan 0.000 0.433 494 R N 0.051 120.502 120.500 -0.082 0.000 2.083 494 R HA -0.217 4.123 4.340 -0.000 0.000 0.237 494 R C 2.301 178.582 176.300 -0.032 0.000 1.137 494 R CA 1.495 57.567 56.100 -0.046 0.000 0.951 494 R CB -0.206 30.067 30.300 -0.045 0.000 0.851 494 R HN 0.173 nan 8.270 nan 0.000 0.434 495 L N 0.496 121.697 121.223 -0.037 0.000 2.013 495 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 495 L C 2.213 179.073 176.870 -0.016 0.000 1.073 495 L CA 1.815 56.641 54.840 -0.024 0.000 0.753 495 L CB -0.511 41.533 42.059 -0.025 0.000 0.890 495 L HN 0.230 nan 8.230 nan 0.000 0.432 496 I N -1.464 119.095 120.570 -0.018 0.000 2.584 496 I HA -0.054 4.116 4.170 -0.000 0.000 0.255 496 I C 2.319 178.433 176.117 -0.005 0.000 1.145 496 I CA 1.036 62.330 61.300 -0.010 0.000 1.462 496 I CB -0.708 37.285 38.000 -0.010 0.000 1.102 496 I HN 0.249 nan 8.210 nan 0.000 0.433 497 G N 0.465 109.261 108.800 -0.006 0.000 2.679 497 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.212 497 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.212 497 G C 1.417 176.319 174.900 0.003 0.000 1.137 497 G CA 0.295 45.396 45.100 0.001 0.000 0.787 497 G HN 0.156 nan 8.290 nan 0.000 0.534 498 L N 0.542 121.765 121.223 -0.001 0.000 2.249 498 L HA 0.137 4.477 4.340 -0.000 0.000 0.207 498 L C 2.853 179.724 176.870 0.002 0.000 1.090 498 L CA 1.383 56.224 54.840 0.001 0.000 0.802 498 L CB -0.623 41.435 42.059 -0.002 0.000 0.947 498 L HN 0.082 nan 8.230 nan 0.000 0.453 499 T N -1.603 112.951 114.554 0.001 0.000 2.904 499 T HA -0.063 4.287 4.350 -0.000 0.000 0.267 499 T C 1.051 175.753 174.700 0.004 0.000 1.059 499 T CA 0.748 62.849 62.100 0.002 0.000 1.137 499 T CB -0.536 68.332 68.868 0.001 0.000 0.879 499 T HN 0.314 nan 8.240 nan 0.000 0.467 500 T N 0.000 114.557 114.554 0.005 0.000 3.816 500 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 500 T CA 0.000 62.104 62.100 0.006 0.000 1.349 500 T CB 0.000 68.873 68.868 0.008 0.000 0.612 500 T HN 0.000 nan 8.240 nan 0.000 0.658