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 3phe_1_A DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNMVYAT TSRSAGLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSVEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSKAVNHIH SVWKDLLEDT VTPIDTTIMA KNEVFCVQXX DATA SEQUENCE XXXRKPARLI VFPDLGVRVC EKMALYDVVS TLPQVVMGSS YGFQYSPGQR DATA SEQUENCE VEFLVNTWKS KKNPMGFSYD TRCFDSTVTE NDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIKSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAS DATA SEQUENCE AACRAAKLQD CTMLVNGDDL VVICESAGTQ EDAASLRVFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPVNSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFSLHSYSPG EINRVASCLR KLGVPPLRVW DATA SEQUENCE RHRARSVRAR LLSQGGRAAT CGKYLFNWAV KTKLKLTPIP AASQLDLSGW DATA SEQUENCE FVAGYSGGDI YHS 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.557 174.600 -0.072 0.000 1.055 1 S CA 0.000 58.166 58.200 -0.056 0.000 1.107 1 S CB 0.000 63.179 63.200 -0.036 0.000 0.593 2 M N 3.208 122.754 119.600 -0.089 0.000 2.144 2 M HA 0.449 4.929 4.480 -0.000 0.000 0.356 2 M C 1.221 177.395 176.300 -0.210 0.000 1.217 2 M CA -0.101 55.133 55.300 -0.110 0.000 1.087 2 M CB 1.224 33.782 32.600 -0.071 0.000 1.609 2 M HN 0.323 nan 8.290 nan 0.000 0.467 3 S N 4.178 119.690 115.700 -0.314 0.000 2.370 3 S HA -0.092 4.378 4.470 -0.000 0.000 0.226 3 S C 0.066 174.252 174.600 -0.691 0.000 1.033 3 S CA 1.012 58.908 58.200 -0.507 0.000 1.011 3 S CB -0.304 62.522 63.200 -0.623 0.000 0.852 3 S HN 0.644 nan 8.310 nan 0.000 0.457 4 Y N 0.912 121.042 120.300 -0.284 0.000 2.524 4 Y HA 0.562 5.112 4.550 0.000 0.000 0.347 4 Y C 0.010 175.590 175.900 -0.533 0.000 1.005 4 Y CA -0.771 57.027 58.100 -0.503 0.000 1.025 4 Y CB 2.156 40.192 38.460 -0.706 0.000 1.275 4 Y HN 0.197 nan 8.280 nan 0.000 0.460 5 T N -1.986 112.299 114.554 -0.447 0.000 2.887 5 T HA 0.706 5.056 4.350 -0.000 0.000 0.288 5 T C -1.289 173.145 174.700 -0.443 0.000 1.021 5 T CA -0.788 61.113 62.100 -0.331 0.000 1.000 5 T CB 1.157 69.955 68.868 -0.117 0.000 1.034 5 T HN 0.544 nan 8.240 nan 0.000 0.467 6 W N 0.960 122.316 121.300 0.093 0.000 2.736 6 W HA 0.468 5.129 4.660 0.000 0.000 0.335 6 W C 1.493 178.043 176.519 0.051 0.000 1.059 6 W CA -0.756 56.630 57.345 0.069 0.000 1.226 6 W CB 2.141 31.627 29.460 0.043 0.000 1.416 6 W HN 0.918 nan 8.180 nan 0.000 0.505 7 T N -2.121 112.614 114.554 0.301 0.000 3.014 7 T HA 0.267 4.617 4.350 -0.000 0.000 0.263 7 T C 1.490 176.278 174.700 0.147 0.000 1.078 7 T CA 1.079 63.284 62.100 0.175 0.000 1.135 7 T CB -0.086 68.864 68.868 0.137 0.000 0.895 7 T HN 1.231 nan 8.240 nan 0.000 0.480 8 G N 1.221 110.118 108.800 0.163 0.000 2.218 8 G HA2 0.031 3.991 3.960 -0.000 0.000 0.216 8 G HA3 0.031 3.991 3.960 -0.000 0.000 0.216 8 G C 0.360 175.288 174.900 0.047 0.000 0.994 8 G CA -0.122 45.026 45.100 0.081 0.000 0.637 8 G HN 1.126 nan 8.290 nan 0.000 0.505 9 A N 0.959 123.822 122.820 0.070 0.000 2.498 9 A HA 0.609 4.929 4.320 -0.000 0.000 0.239 9 A C 0.810 178.404 177.584 0.017 0.000 1.068 9 A CA 0.243 52.307 52.037 0.046 0.000 0.766 9 A CB 0.152 19.189 19.000 0.062 0.000 1.003 9 A HN 0.903 nan 8.150 nan 0.000 0.497 10 L N 2.267 123.487 121.223 -0.005 0.000 2.417 10 L HA 0.255 4.595 4.340 -0.000 0.000 0.268 10 L C 0.104 176.959 176.870 -0.026 0.000 1.158 10 L CA -0.267 54.552 54.840 -0.035 0.000 0.819 10 L CB 0.629 42.671 42.059 -0.030 0.000 1.112 10 L HN 0.551 nan 8.230 nan 0.000 0.458 11 I N 2.082 122.618 120.570 -0.056 0.000 2.436 11 I HA 0.067 4.237 4.170 -0.000 0.000 0.289 11 I C 0.555 176.663 176.117 -0.014 0.000 1.083 11 I CA 0.067 61.349 61.300 -0.030 0.000 1.372 11 I CB 0.620 38.586 38.000 -0.057 0.000 1.408 11 I HN 0.660 nan 8.210 nan 0.000 0.516 12 T N 4.974 119.531 114.554 0.005 0.000 2.895 12 T HA 0.571 4.921 4.350 -0.000 0.000 0.283 12 T C -2.406 172.308 174.700 0.023 0.000 1.014 12 T CA -2.082 60.024 62.100 0.010 0.000 1.037 12 T CB 1.827 70.700 68.868 0.010 0.000 1.006 12 T HN 0.265 nan 8.240 nan 0.000 0.468 13 P HA 0.267 nan 4.420 nan 0.000 0.274 13 P C 0.025 177.347 177.300 0.036 0.000 1.256 13 P CA -0.617 62.505 63.100 0.037 0.000 0.795 13 P CB 0.843 32.565 31.700 0.037 0.000 1.038 14 C N -0.489 118.836 119.300 0.042 0.000 3.230 14 C HA 0.658 5.118 4.460 -0.000 0.000 0.300 14 C C 0.683 175.692 174.990 0.031 0.000 1.292 14 C CA 0.674 59.714 59.018 0.038 0.000 1.707 14 C CB -0.944 26.826 27.740 0.050 0.000 2.181 14 C HN 0.736 nan 8.230 nan 0.000 0.655 15 A N -0.213 122.629 122.820 0.036 0.000 2.581 15 A HA 0.742 5.062 4.320 -0.000 0.000 0.290 15 A C -0.658 176.951 177.584 0.042 0.000 1.119 15 A CA 0.204 52.261 52.037 0.034 0.000 0.670 15 A CB -0.129 18.891 19.000 0.033 0.000 1.280 15 A HN 0.827 nan 8.150 nan 0.000 0.425 16 A N 0.177 123.022 122.820 0.042 0.000 2.531 16 A HA 0.499 4.819 4.320 -0.000 0.000 0.236 16 A C 0.035 177.661 177.584 0.070 0.000 1.062 16 A CA 0.513 52.580 52.037 0.051 0.000 0.760 16 A CB -0.302 18.726 19.000 0.046 0.000 0.995 16 A HN 0.636 nan 8.150 nan 0.000 0.501 17 E N 1.456 121.704 120.200 0.080 0.000 2.187 17 E HA 0.366 4.716 4.350 -0.000 0.000 0.268 17 E C -0.973 175.712 176.600 0.141 0.000 0.896 17 E CA -0.773 55.691 56.400 0.107 0.000 0.766 17 E CB 1.614 31.368 29.700 0.090 0.000 1.142 17 E HN 0.641 nan 8.360 nan 0.000 0.408 18 E N 1.193 121.521 120.200 0.212 0.000 2.216 18 E HA 0.167 4.517 4.350 -0.000 0.000 0.279 18 E C 0.089 176.910 176.600 0.369 0.000 0.997 18 E CA -0.245 56.331 56.400 0.294 0.000 0.817 18 E CB 1.737 31.659 29.700 0.370 0.000 1.096 18 E HN 0.596 nan 8.360 nan 0.000 0.393 19 S N 1.099 117.000 115.700 0.336 0.000 2.666 19 S HA 0.042 4.512 4.470 -0.000 0.000 0.239 19 S C 0.390 175.238 174.600 0.413 0.000 1.031 19 S CA -0.447 57.947 58.200 0.322 0.000 1.015 19 S CB 0.271 63.603 63.200 0.221 0.000 0.981 19 S HN 0.323 nan 8.310 nan 0.000 0.547 20 K N 1.493 122.144 120.400 0.418 0.000 2.207 20 K HA 0.545 4.865 4.320 -0.000 0.000 0.255 20 K C -1.055 175.720 176.600 0.291 0.000 0.941 20 K CA -1.162 55.319 56.287 0.324 0.000 0.825 20 K CB 1.303 33.907 32.500 0.174 0.000 1.119 20 K HN 0.144 nan 8.250 nan 0.000 0.430 21 L N 4.970 126.362 121.223 0.282 0.000 2.325 21 L HA 0.291 4.631 4.340 -0.000 0.000 0.284 21 L C -2.115 174.719 176.870 -0.060 0.000 1.089 21 L CA -1.376 53.522 54.840 0.098 0.000 0.836 21 L CB 0.161 42.370 42.059 0.251 0.000 1.184 21 L HN 0.603 nan 8.230 nan 0.000 0.444 22 P HA 0.126 nan 4.420 nan 0.000 0.272 22 P C -0.961 176.223 177.300 -0.192 0.000 1.240 22 P CA -0.289 62.701 63.100 -0.183 0.000 0.791 22 P CB 0.858 32.429 31.700 -0.216 0.000 0.978 23 I N 2.311 122.765 120.570 -0.193 0.000 2.354 23 I HA 0.291 4.461 4.170 -0.000 0.000 0.286 23 I C 0.707 176.745 176.117 -0.130 0.000 1.007 23 I CA -0.637 60.537 61.300 -0.211 0.000 1.167 23 I CB 0.100 37.926 38.000 -0.291 0.000 1.320 23 I HN 0.507 nan 8.210 nan 0.000 0.458 24 N N 3.896 122.536 118.700 -0.100 0.000 2.509 24 N HA 0.581 5.321 4.740 -0.000 0.000 0.280 24 N C 0.378 175.861 175.510 -0.045 0.000 1.306 24 N CA -0.700 52.309 53.050 -0.069 0.000 0.782 24 N CB 2.161 40.608 38.487 -0.067 0.000 1.493 24 N HN 0.310 nan 8.380 nan 0.000 0.498 25 A N 0.465 123.264 122.820 -0.035 0.000 1.968 25 A HA -0.027 4.293 4.320 -0.000 0.000 0.217 25 A C 2.019 179.595 177.584 -0.013 0.000 1.169 25 A CA 0.609 52.632 52.037 -0.023 0.000 0.638 25 A CB -0.708 18.276 19.000 -0.026 0.000 0.812 25 A HN 0.662 nan 8.150 nan 0.000 0.446 26 L N -0.739 120.473 121.223 -0.018 0.000 2.056 26 L HA -0.133 4.207 4.340 -0.000 0.000 0.207 26 L C 2.796 179.702 176.870 0.060 0.000 1.078 26 L CA 1.820 56.659 54.840 -0.002 0.000 0.749 26 L CB -0.179 41.857 42.059 -0.038 0.000 0.901 26 L HN 0.475 nan 8.230 nan 0.000 0.433 27 S N -0.431 115.290 115.700 0.034 0.000 2.414 27 S HA -0.186 4.284 4.470 -0.000 0.000 0.227 27 S C 1.665 176.289 174.600 0.040 0.000 1.022 27 S CA 1.474 59.703 58.200 0.047 0.000 0.958 27 S CB -0.257 62.951 63.200 0.013 0.000 0.797 27 S HN 0.536 nan 8.310 nan 0.000 0.493 28 N N 0.888 119.607 118.700 0.031 0.000 2.396 28 N HA -0.057 4.683 4.740 -0.000 0.000 0.180 28 N C 1.739 177.263 175.510 0.024 0.000 1.028 28 N CA 1.401 54.479 53.050 0.046 0.000 0.893 28 N CB -0.171 38.342 38.487 0.042 0.000 0.967 28 N HN 0.504 nan 8.380 nan 0.000 0.440 29 S N -0.662 115.047 115.700 0.015 0.000 2.453 29 S HA -0.075 4.395 4.470 -0.000 0.000 0.231 29 S C 1.745 176.340 174.600 -0.009 0.000 1.005 29 S CA 0.407 58.595 58.200 -0.020 0.000 0.949 29 S CB -0.281 62.908 63.200 -0.019 0.000 0.774 29 S HN 0.317 nan 8.310 nan 0.000 0.510 30 L N 0.441 121.687 121.223 0.039 0.000 2.102 30 L HA 0.533 4.873 4.340 -0.000 0.000 0.202 30 L C 0.394 177.307 176.870 0.071 0.000 1.076 30 L CA 1.198 56.070 54.840 0.053 0.000 0.761 30 L CB -0.129 41.767 42.059 -0.273 0.000 0.921 30 L HN 0.539 nan 8.230 nan 0.000 0.444 31 L N -0.970 120.270 121.223 0.029 0.000 2.505 31 L HA 0.372 4.712 4.340 -0.000 0.000 0.266 31 L C 0.642 177.527 176.870 0.024 0.000 0.954 31 L CA -0.526 54.325 54.840 0.020 0.000 0.852 31 L CB 1.496 43.580 42.059 0.042 0.000 1.282 31 L HN -0.018 nan 8.230 nan 0.000 0.403 32 R N 1.342 121.801 120.500 -0.068 0.000 2.075 32 R HA 0.103 4.443 4.340 -0.000 0.000 0.220 32 R C 0.144 176.451 176.300 0.011 0.000 1.118 32 R CA 0.568 56.644 56.100 -0.039 0.000 0.986 32 R CB 0.026 30.235 30.300 -0.151 0.000 0.884 32 R HN 0.671 nan 8.270 nan 0.000 0.439 33 H N 1.190 120.230 119.070 -0.049 0.000 2.966 33 H HA 0.008 4.564 4.556 -0.000 0.000 0.217 33 H C 0.759 176.012 175.328 -0.125 0.000 1.906 33 H CA -0.427 55.534 56.048 -0.146 0.000 1.351 33 H CB -0.159 29.565 29.762 -0.064 0.000 1.722 33 H HN 0.454 nan 8.280 nan 0.000 0.562 34 H N -1.210 117.960 119.070 0.165 0.000 2.489 34 H HA -0.101 4.455 4.556 -0.000 0.000 0.293 34 H C 1.403 176.822 175.328 0.151 0.000 1.066 34 H CA 0.686 56.817 56.048 0.138 0.000 1.305 34 H CB -0.028 29.794 29.762 0.099 0.000 1.386 34 H HN 0.336 nan 8.280 nan 0.000 0.551 35 N N 0.291 119.021 118.700 0.051 0.000 2.550 35 N HA -0.027 4.713 4.740 -0.000 0.000 0.186 35 N C 1.018 176.606 175.510 0.131 0.000 1.110 35 N CA 0.760 53.884 53.050 0.124 0.000 0.912 35 N CB -0.019 38.481 38.487 0.021 0.000 0.968 35 N HN 0.544 nan 8.380 nan 0.000 0.448 36 M N -0.321 119.365 119.600 0.144 0.000 2.502 36 M HA 0.095 4.575 4.480 -0.000 0.000 0.243 36 M C -0.037 176.421 176.300 0.264 0.000 1.130 36 M CA 0.272 55.674 55.300 0.170 0.000 1.055 36 M CB 0.781 33.469 32.600 0.147 0.000 1.457 36 M HN -0.266 nan 8.290 nan 0.000 0.488 37 V N 1.711 121.795 119.914 0.283 0.000 2.370 37 V HA 0.266 4.386 4.120 -0.000 0.000 0.279 37 V C -0.755 175.579 176.094 0.401 0.000 1.029 37 V CA -0.692 61.791 62.300 0.305 0.000 0.870 37 V CB 0.248 32.246 31.823 0.292 0.000 0.984 37 V HN 0.286 nan 8.190 nan 0.000 0.451 38 Y N 2.960 123.358 120.300 0.164 0.000 2.605 38 Y HA 0.938 5.488 4.550 -0.000 0.000 0.343 38 Y C -0.342 175.539 175.900 -0.031 0.000 1.036 38 Y CA -1.707 56.475 58.100 0.136 0.000 1.065 38 Y CB 1.781 40.314 38.460 0.122 0.000 1.288 38 Y HN 0.633 nan 8.280 nan 0.000 0.481 39 A N 1.595 124.393 122.820 -0.037 0.000 2.343 39 A HA 0.643 4.963 4.320 -0.000 0.000 0.316 39 A C -0.161 177.465 177.584 0.070 0.000 1.104 39 A CA -0.437 51.429 52.037 -0.285 0.000 0.768 39 A CB 0.356 18.970 19.000 -0.643 0.000 1.213 39 A HN 1.049 nan 8.150 nan 0.000 0.456 40 T N 0.404 115.013 114.554 0.092 0.000 2.898 40 T HA 0.561 4.911 4.350 -0.000 0.000 0.301 40 T C 0.448 175.207 174.700 0.098 0.000 1.049 40 T CA 0.434 62.638 62.100 0.174 0.000 1.095 40 T CB 0.716 69.695 68.868 0.185 0.000 0.976 40 T HN 1.404 nan 8.240 nan 0.000 0.539 41 T N -2.148 112.464 114.554 0.097 0.000 2.838 41 T HA 0.482 4.832 4.350 -0.000 0.000 0.292 41 T C 1.313 176.043 174.700 0.050 0.000 1.113 41 T CA -0.277 61.865 62.100 0.071 0.000 1.008 41 T CB 1.163 70.079 68.868 0.078 0.000 1.259 41 T HN 0.750 nan 8.240 nan 0.000 0.520 42 S N -0.324 115.399 115.700 0.039 0.000 2.537 42 S HA -0.091 4.379 4.470 -0.000 0.000 0.240 42 S C 1.649 176.251 174.600 0.003 0.000 0.981 42 S CA 0.240 58.450 58.200 0.018 0.000 0.948 42 S CB -0.681 62.530 63.200 0.017 0.000 0.759 42 S HN 0.681 nan 8.310 nan 0.000 0.531 43 R N 1.406 121.915 120.500 0.016 0.000 2.189 43 R HA 0.010 4.350 4.340 -0.000 0.000 0.223 43 R C 1.759 178.054 176.300 -0.008 0.000 1.092 43 R CA 1.328 57.431 56.100 0.005 0.000 0.989 43 R CB -0.330 29.982 30.300 0.019 0.000 0.876 43 R HN 0.715 nan 8.270 nan 0.000 0.457 44 S N -0.969 114.729 115.700 -0.003 0.000 2.557 44 S HA 0.257 4.727 4.470 -0.000 0.000 0.223 44 S C 1.675 176.251 174.600 -0.040 0.000 0.969 44 S CA 0.114 58.304 58.200 -0.017 0.000 0.927 44 S CB 0.962 64.164 63.200 0.003 0.000 0.806 44 S HN 0.235 nan 8.310 nan 0.000 0.489 45 A N 2.348 125.137 122.820 -0.052 0.000 1.892 45 A HA 0.090 4.410 4.320 -0.000 0.000 0.218 45 A C 2.275 179.765 177.584 -0.157 0.000 1.188 45 A CA 1.775 53.758 52.037 -0.091 0.000 0.631 45 A CB -1.680 17.264 19.000 -0.094 0.000 0.822 45 A HN 0.658 nan 8.150 nan 0.000 0.447 46 G N -0.492 108.213 108.800 -0.158 0.000 2.432 46 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.219 46 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.219 46 G C 1.523 176.327 174.900 -0.160 0.000 1.135 46 G CA 0.976 45.953 45.100 -0.205 0.000 0.767 46 G HN 0.453 nan 8.290 nan 0.000 0.550 47 L N -0.299 120.863 121.223 -0.101 0.000 2.056 47 L HA -0.014 4.326 4.340 -0.000 0.000 0.207 47 L C 2.891 179.728 176.870 -0.056 0.000 1.078 47 L CA 1.193 55.993 54.840 -0.066 0.000 0.749 47 L CB -0.321 41.711 42.059 -0.046 0.000 0.901 47 L HN 0.151 nan 8.230 nan 0.000 0.433 48 R N 0.580 121.042 120.500 -0.064 0.000 2.081 48 R HA -0.164 4.176 4.340 -0.000 0.000 0.235 48 R C 2.230 178.498 176.300 -0.054 0.000 1.131 48 R CA 1.581 57.658 56.100 -0.038 0.000 0.960 48 R CB -0.462 29.818 30.300 -0.034 0.000 0.856 48 R HN 0.368 nan 8.270 nan 0.000 0.436 49 Q N 0.153 119.846 119.800 -0.177 0.000 2.152 49 Q HA -0.213 4.127 4.340 -0.000 0.000 0.206 49 Q C 1.968 177.937 176.000 -0.053 0.000 0.985 49 Q CA 2.128 57.764 55.803 -0.278 0.000 0.863 49 Q CB -0.155 28.129 28.738 -0.756 0.000 0.904 49 Q HN 0.389 nan 8.270 nan 0.000 0.422 50 K N 0.757 121.130 120.400 -0.044 0.000 2.057 50 K HA -0.127 4.193 4.320 -0.000 0.000 0.207 50 K C 1.996 178.676 176.600 0.134 0.000 1.049 50 K CA 1.130 57.447 56.287 0.050 0.000 0.931 50 K CB -0.007 32.501 32.500 0.013 0.000 0.714 50 K HN 0.112 nan 8.250 nan 0.000 0.440 51 K N 0.637 121.106 120.400 0.114 0.000 2.097 51 K HA -0.081 4.239 4.320 -0.000 0.000 0.205 51 K C 2.007 178.795 176.600 0.314 0.000 1.050 51 K CA 1.473 57.855 56.287 0.159 0.000 0.938 51 K CB 0.035 32.597 32.500 0.104 0.000 0.718 51 K HN 0.131 nan 8.250 nan 0.000 0.442 52 V N -1.714 118.385 119.914 0.309 0.000 3.608 52 V HA 0.075 4.195 4.120 -0.000 0.000 0.269 52 V C 0.424 176.759 176.094 0.402 0.000 1.245 52 V CA 0.093 62.635 62.300 0.402 0.000 1.138 52 V CB 0.095 32.086 31.823 0.280 0.000 0.841 52 V HN -0.054 nan 8.190 nan 0.000 0.451 53 T N 4.577 119.387 114.554 0.427 0.000 2.762 53 T HA 0.693 5.043 4.350 -0.000 0.000 0.303 53 T C -0.732 174.188 174.700 0.367 0.000 0.977 53 T CA 0.012 62.340 62.100 0.381 0.000 0.961 53 T CB -0.036 69.140 68.868 0.514 0.000 0.944 53 T HN 0.638 nan 8.240 nan 0.000 0.481 54 F N -0.044 120.009 119.950 0.172 0.000 2.773 54 F HA 0.644 5.171 4.527 -0.000 0.000 0.314 54 F C -1.046 174.791 175.800 0.060 0.000 1.160 54 F CA -1.771 56.290 58.000 0.102 0.000 0.920 54 F CB 0.803 39.854 39.000 0.085 0.000 1.323 54 F HN 0.248 nan 8.300 nan 0.000 0.457 55 D N 0.622 121.191 120.400 0.283 0.000 2.304 55 D HA 0.486 5.126 4.640 -0.000 0.000 0.250 55 D C -0.904 175.532 176.300 0.227 0.000 1.107 55 D CA -0.046 54.042 54.000 0.148 0.000 0.885 55 D CB 0.857 41.722 40.800 0.109 0.000 1.192 55 D HN 0.567 nan 8.370 nan 0.000 0.436 56 R N 2.605 123.165 120.500 0.099 0.000 2.338 56 R HA 0.488 4.828 4.340 -0.000 0.000 0.317 56 R C -0.910 175.424 176.300 0.057 0.000 0.968 56 R CA -0.749 55.419 56.100 0.113 0.000 0.849 56 R CB 1.231 31.553 30.300 0.037 0.000 1.128 56 R HN 0.408 nan 8.270 nan 0.000 0.448 57 L N 2.501 123.759 121.223 0.058 0.000 2.334 57 L HA 0.556 4.896 4.340 -0.000 0.000 0.276 57 L C -1.175 175.702 176.870 0.010 0.000 1.014 57 L CA -0.446 54.407 54.840 0.022 0.000 0.815 57 L CB 1.835 43.904 42.059 0.018 0.000 1.268 57 L HN 0.726 nan 8.230 nan 0.000 0.428 58 Q N 3.040 122.835 119.800 -0.009 0.000 2.268 58 Q HA 0.568 4.908 4.340 -0.000 0.000 0.266 58 Q C -2.147 173.834 176.000 -0.032 0.000 1.006 58 Q CA -0.516 55.276 55.803 -0.018 0.000 0.824 58 Q CB 2.662 31.379 28.738 -0.035 0.000 1.306 58 Q HN 0.502 nan 8.270 nan 0.000 0.424 59 V N 5.377 125.278 119.914 -0.022 0.000 2.482 59 V HA 0.426 4.546 4.120 -0.000 0.000 0.295 59 V C -0.394 175.713 176.094 0.021 0.000 1.026 59 V CA -0.612 61.674 62.300 -0.024 0.000 0.856 59 V CB 1.453 33.257 31.823 -0.032 0.000 1.001 59 V HN 0.739 nan 8.190 nan 0.000 0.424 60 L N 4.575 125.766 121.223 -0.054 0.000 2.379 60 L HA 0.756 5.096 4.340 -0.000 0.000 0.269 60 L C -0.121 176.777 176.870 0.046 0.000 1.084 60 L CA -0.425 54.362 54.840 -0.089 0.000 0.802 60 L CB 1.519 43.378 42.059 -0.334 0.000 1.175 60 L HN 0.795 nan 8.230 nan 0.000 0.448 61 D N -1.840 118.644 120.400 0.140 0.000 2.781 61 D HA 0.187 4.827 4.640 -0.000 0.000 0.295 61 D C 0.029 176.378 176.300 0.082 0.000 1.143 61 D CA -0.581 53.476 54.000 0.095 0.000 1.076 61 D CB 0.506 41.367 40.800 0.101 0.000 1.444 61 D HN 0.252 nan 8.370 nan 0.000 0.567 62 D N -1.404 118.975 120.400 -0.035 0.000 2.144 62 D HA -0.127 4.513 4.640 -0.000 0.000 0.200 62 D C 1.654 177.937 176.300 -0.028 0.000 0.978 62 D CA 1.160 55.119 54.000 -0.069 0.000 0.833 62 D CB -0.178 40.525 40.800 -0.162 0.000 0.961 62 D HN 0.379 nan 8.370 nan 0.000 0.470 63 H N -0.528 118.599 119.070 0.096 0.000 2.321 63 H HA -0.154 4.402 4.556 -0.000 0.000 0.300 63 H C 2.011 177.359 175.328 0.033 0.000 1.087 63 H CA 0.988 57.079 56.048 0.072 0.000 1.319 63 H CB -0.808 29.021 29.762 0.113 0.000 1.379 63 H HN 0.304 nan 8.280 nan 0.000 0.501 64 Y N 2.083 122.394 120.300 0.020 0.000 2.128 64 Y HA -0.247 4.303 4.550 -0.000 0.000 0.284 64 Y C 2.631 178.476 175.900 -0.091 0.000 1.154 64 Y CA 1.688 59.686 58.100 -0.170 0.000 1.149 64 Y CB -0.022 38.249 38.460 -0.316 0.000 0.976 64 Y HN -0.006 nan 8.280 nan 0.000 0.505 65 R N -0.116 120.446 120.500 0.103 0.000 2.075 65 R HA -0.133 4.207 4.340 -0.000 0.000 0.232 65 R C 1.747 178.021 176.300 -0.043 0.000 1.126 65 R CA 1.408 57.526 56.100 0.030 0.000 0.963 65 R CB -0.352 29.991 30.300 0.072 0.000 0.858 65 R HN 0.380 nan 8.270 nan 0.000 0.435 66 D N 0.333 120.726 120.400 -0.012 0.000 2.117 66 D HA -0.114 4.526 4.640 -0.000 0.000 0.197 66 D C 1.967 178.242 176.300 -0.041 0.000 0.987 66 D CA 1.040 55.035 54.000 -0.008 0.000 0.829 66 D CB -0.160 40.662 40.800 0.036 0.000 0.961 66 D HN 0.016 nan 8.370 nan 0.000 0.460 67 V N 1.031 120.895 119.914 -0.083 0.000 2.427 67 V HA -0.171 3.949 4.120 -0.000 0.000 0.248 67 V C 2.382 178.394 176.094 -0.137 0.000 1.051 67 V CA 0.840 63.074 62.300 -0.109 0.000 1.048 67 V CB -0.379 31.343 31.823 -0.168 0.000 0.666 67 V HN 0.124 nan 8.190 nan 0.000 0.456 68 L N 0.736 121.815 121.223 -0.240 0.000 2.046 68 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 68 L C 2.411 179.216 176.870 -0.109 0.000 1.077 68 L CA 2.226 56.933 54.840 -0.222 0.000 0.747 68 L CB -0.831 41.043 42.059 -0.308 0.000 0.896 68 L HN 0.279 nan 8.230 nan 0.000 0.432 69 K N -0.467 119.884 120.400 -0.081 0.000 2.103 69 K HA -0.214 4.106 4.320 -0.000 0.000 0.207 69 K C 1.897 178.479 176.600 -0.030 0.000 1.048 69 K CA 1.893 58.154 56.287 -0.043 0.000 0.930 69 K CB -0.103 32.381 32.500 -0.027 0.000 0.716 69 K HN 0.527 nan 8.250 nan 0.000 0.444 70 E N -0.007 120.179 120.200 -0.025 0.000 2.107 70 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 70 E C 2.060 178.659 176.600 -0.002 0.000 0.982 70 E CA 1.277 57.674 56.400 -0.004 0.000 0.809 70 E CB -0.020 29.687 29.700 0.012 0.000 0.756 70 E HN 0.374 nan 8.360 nan 0.000 0.459 71 M N 0.599 120.193 119.600 -0.010 0.000 2.099 71 M HA -0.134 4.346 4.480 -0.000 0.000 0.262 71 M C 2.103 178.382 176.300 -0.036 0.000 1.067 71 M CA 1.396 56.686 55.300 -0.017 0.000 1.124 71 M CB -0.130 32.458 32.600 -0.020 0.000 1.353 71 M HN -0.073 nan 8.290 nan 0.000 0.410 72 K N 0.422 120.797 120.400 -0.041 0.000 2.152 72 K HA -0.107 4.213 4.320 -0.000 0.000 0.206 72 K C 2.063 178.649 176.600 -0.023 0.000 1.048 72 K CA 1.431 57.696 56.287 -0.035 0.000 0.933 72 K CB -0.282 32.197 32.500 -0.035 0.000 0.721 72 K HN 0.302 nan 8.250 nan 0.000 0.447 73 A N 1.868 124.676 122.820 -0.019 0.000 1.898 73 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 73 A C 1.875 179.450 177.584 -0.014 0.000 1.181 73 A CA 1.386 53.415 52.037 -0.013 0.000 0.620 73 A CB -0.191 18.804 19.000 -0.008 0.000 0.819 73 A HN 0.180 nan 8.150 nan 0.000 0.442 74 K N -0.291 120.097 120.400 -0.019 0.000 2.103 74 K HA 0.054 4.374 4.320 -0.000 0.000 0.204 74 K C 2.197 178.777 176.600 -0.033 0.000 1.052 74 K CA 0.908 57.179 56.287 -0.027 0.000 0.945 74 K CB -0.267 32.212 32.500 -0.035 0.000 0.722 74 K HN 0.410 nan 8.250 nan 0.000 0.443 75 A N 1.088 123.887 122.820 -0.034 0.000 2.019 75 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 75 A C 2.001 179.577 177.584 -0.013 0.000 1.164 75 A CA 1.520 53.541 52.037 -0.027 0.000 0.644 75 A CB -0.374 18.613 19.000 -0.022 0.000 0.805 75 A HN 0.142 nan 8.150 nan 0.000 0.449 76 S N -0.342 115.351 115.700 -0.011 0.000 2.515 76 S HA -0.076 4.394 4.470 -0.000 0.000 0.231 76 S C 1.830 176.427 174.600 -0.005 0.000 0.987 76 S CA 1.421 59.618 58.200 -0.004 0.000 0.936 76 S CB -0.405 62.792 63.200 -0.004 0.000 0.766 76 S HN 0.898 nan 8.310 nan 0.000 0.528 77 T N -0.911 113.636 114.554 -0.011 0.000 3.107 77 T HA 0.225 4.575 4.350 -0.000 0.000 0.249 77 T C 0.394 175.086 174.700 -0.012 0.000 1.096 77 T CA -0.150 61.944 62.100 -0.011 0.000 1.012 77 T CB -0.211 68.648 68.868 -0.015 0.000 0.977 77 T HN 0.012 nan 8.240 nan 0.000 0.527 78 V N 1.752 121.659 119.914 -0.012 0.000 2.439 78 V HA 0.451 4.571 4.120 -0.000 0.000 0.282 78 V C -0.012 176.081 176.094 -0.003 0.000 1.039 78 V CA -1.027 61.265 62.300 -0.014 0.000 0.913 78 V CB 1.446 33.257 31.823 -0.020 0.000 0.983 78 V HN 0.347 nan 8.190 nan 0.000 0.460 79 K N 3.653 124.051 120.400 -0.003 0.000 2.339 79 K HA 0.753 5.073 4.320 -0.000 0.000 0.264 79 K C -0.609 175.993 176.600 0.004 0.000 0.986 79 K CA -0.357 55.933 56.287 0.004 0.000 0.866 79 K CB 1.332 33.835 32.500 0.005 0.000 1.103 79 K HN 0.851 nan 8.250 nan 0.000 0.441 80 A N 3.895 126.722 122.820 0.011 0.000 2.350 80 A HA 0.602 4.922 4.320 -0.000 0.000 0.324 80 A C -1.203 176.397 177.584 0.027 0.000 1.118 80 A CA -0.814 51.230 52.037 0.012 0.000 0.783 80 A CB 1.226 20.229 19.000 0.005 0.000 1.236 80 A HN 0.606 nan 8.150 nan 0.000 0.457 81 K N 0.638 121.057 120.400 0.032 0.000 2.156 81 K HA 0.625 4.945 4.320 -0.000 0.000 0.250 81 K C -0.643 175.988 176.600 0.051 0.000 0.955 81 K CA -0.766 55.544 56.287 0.038 0.000 0.855 81 K CB 1.145 33.663 32.500 0.030 0.000 1.101 81 K HN 0.536 nan 8.250 nan 0.000 0.434 82 L N 2.634 123.886 121.223 0.048 0.000 2.456 82 L HA 0.200 4.540 4.340 -0.000 0.000 0.272 82 L C -0.647 176.225 176.870 0.003 0.000 1.189 82 L CA -0.053 54.811 54.840 0.040 0.000 0.846 82 L CB 0.202 42.280 42.059 0.032 0.000 1.111 82 L HN 0.446 nan 8.230 nan 0.000 0.475 83 L N 2.942 124.156 121.223 -0.015 0.000 2.350 83 L HA 0.358 4.698 4.340 -0.000 0.000 0.275 83 L C 0.484 177.280 176.870 -0.123 0.000 1.099 83 L CA 0.269 55.081 54.840 -0.048 0.000 0.808 83 L CB 1.260 43.296 42.059 -0.039 0.000 1.149 83 L HN 0.839 nan 8.230 nan 0.000 0.442 84 S N 1.954 117.589 115.700 -0.108 0.000 2.589 84 S HA 0.154 4.624 4.470 -0.000 0.000 0.265 84 S C 1.318 175.824 174.600 -0.157 0.000 1.342 84 S CA -0.621 57.501 58.200 -0.130 0.000 1.005 84 S CB 0.724 63.871 63.200 -0.090 0.000 0.909 84 S HN 0.353 nan 8.310 nan 0.000 0.555 85 V N 2.023 121.837 119.914 -0.167 0.000 2.407 85 V HA -0.162 3.958 4.120 -0.000 0.000 0.248 85 V C 2.759 178.763 176.094 -0.150 0.000 1.055 85 V CA 2.126 64.315 62.300 -0.185 0.000 1.049 85 V CB -1.195 30.505 31.823 -0.204 0.000 0.662 85 V HN 0.952 nan 8.190 nan 0.000 0.455 86 E N 0.500 120.629 120.200 -0.119 0.000 2.106 86 E HA -0.239 4.111 4.350 -0.000 0.000 0.192 86 E C 1.932 178.469 176.600 -0.105 0.000 0.984 86 E CA 1.237 57.575 56.400 -0.102 0.000 0.806 86 E CB -0.389 29.263 29.700 -0.079 0.000 0.750 86 E HN 0.705 nan 8.360 nan 0.000 0.458 87 E N 1.318 121.453 120.200 -0.109 0.000 2.077 87 E HA -0.110 4.240 4.350 -0.000 0.000 0.193 87 E C 2.140 178.644 176.600 -0.160 0.000 0.989 87 E CA 1.223 57.550 56.400 -0.122 0.000 0.800 87 E CB -0.162 29.473 29.700 -0.109 0.000 0.746 87 E HN 0.343 nan 8.360 nan 0.000 0.452 88 A N 0.652 123.378 122.820 -0.158 0.000 1.930 88 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 88 A C 2.397 179.896 177.584 -0.142 0.000 1.175 88 A CA 1.093 53.030 52.037 -0.166 0.000 0.627 88 A CB -0.775 18.144 19.000 -0.136 0.000 0.815 88 A HN 0.358 nan 8.150 nan 0.000 0.443 89 C N -0.436 118.789 119.300 -0.124 0.000 2.429 89 C HA -0.076 4.384 4.460 -0.000 0.000 0.277 89 C C 2.639 177.566 174.990 -0.104 0.000 1.262 89 C CA 1.238 60.192 59.018 -0.106 0.000 1.733 89 C CB -1.007 26.670 27.740 -0.105 0.000 2.010 89 C HN 0.593 nan 8.230 nan 0.000 0.483 90 K N 0.520 120.860 120.400 -0.101 0.000 2.211 90 K HA -0.081 4.239 4.320 -0.000 0.000 0.204 90 K C 1.587 178.155 176.600 -0.054 0.000 1.047 90 K CA 1.045 57.288 56.287 -0.073 0.000 0.935 90 K CB -0.240 32.219 32.500 -0.069 0.000 0.728 90 K HN 0.541 nan 8.250 nan 0.000 0.452 91 L N 0.852 122.003 121.223 -0.119 0.000 2.554 91 L HA -0.020 4.320 4.340 -0.000 0.000 0.226 91 L C 0.432 177.238 176.870 -0.105 0.000 1.137 91 L CA 0.279 55.033 54.840 -0.142 0.000 0.863 91 L CB -0.119 41.742 42.059 -0.329 0.000 0.985 91 L HN 0.014 nan 8.230 nan 0.000 0.451 92 T N 1.753 116.242 114.554 -0.109 0.000 2.814 92 T HA 0.196 4.546 4.350 -0.000 0.000 0.297 92 T C -2.285 172.287 174.700 -0.213 0.000 0.956 92 T CA -1.117 60.907 62.100 -0.126 0.000 1.123 92 T CB 0.948 69.754 68.868 -0.104 0.000 0.902 92 T HN -0.118 nan 8.240 nan 0.000 0.528 93 P HA 0.131 nan 4.420 nan 0.000 0.266 93 P C -1.904 175.127 177.300 -0.447 0.000 1.195 93 P CA -1.361 61.514 63.100 -0.375 0.000 0.768 93 P CB 0.153 31.752 31.700 -0.169 0.000 0.838 94 P HA -0.122 nan 4.420 nan 0.000 0.220 94 P C 0.212 177.148 177.300 -0.606 0.000 1.148 94 P CA 1.633 64.339 63.100 -0.656 0.000 0.803 94 P CB -0.110 31.098 31.700 -0.819 0.000 0.782 95 H N -2.564 116.402 119.070 -0.174 0.000 2.512 95 H HA 0.282 4.838 4.556 0.000 0.000 0.276 95 H C 0.492 175.754 175.328 -0.110 0.000 1.126 95 H CA -0.420 55.558 56.048 -0.117 0.000 1.060 95 H CB 0.088 29.792 29.762 -0.096 0.000 1.646 95 H HN -0.043 nan 8.280 nan 0.000 0.571 96 S N 1.376 117.036 115.700 -0.066 0.000 2.559 96 S HA 0.239 4.709 4.470 -0.000 0.000 0.282 96 S C 0.819 175.387 174.600 -0.052 0.000 1.336 96 S CA -0.418 57.737 58.200 -0.076 0.000 1.037 96 S CB 0.223 63.370 63.200 -0.089 0.000 0.853 96 S HN 0.518 nan 8.310 nan 0.000 0.523 97 A N 4.345 127.119 122.820 -0.077 0.000 2.524 97 A HA 0.268 4.588 4.320 -0.000 0.000 0.250 97 A C 0.546 178.127 177.584 -0.005 0.000 1.078 97 A CA -0.217 51.802 52.037 -0.031 0.000 0.761 97 A CB -0.241 18.741 19.000 -0.029 0.000 1.012 97 A HN 0.859 nan 8.150 nan 0.000 0.500 98 K N 2.252 122.640 120.400 -0.021 0.000 2.276 98 K HA 0.324 4.644 4.320 -0.000 0.000 0.259 98 K C 0.372 176.897 176.600 -0.126 0.000 1.001 98 K CA 0.039 56.279 56.287 -0.078 0.000 0.927 98 K CB 0.412 32.864 32.500 -0.080 0.000 0.969 98 K HN 0.446 nan 8.250 nan 0.000 0.490 99 S N 0.068 115.581 115.700 -0.311 0.000 2.585 99 S HA 0.019 4.489 4.470 -0.000 0.000 0.273 99 S C 0.833 175.238 174.600 -0.324 0.000 1.339 99 S CA -0.635 57.353 58.200 -0.353 0.000 1.028 99 S CB 0.563 63.277 63.200 -0.809 0.000 0.906 99 S HN 0.794 nan 8.310 nan 0.000 0.528 100 K N 2.416 122.614 120.400 -0.337 0.000 2.525 100 K HA 0.030 4.350 4.320 -0.000 0.000 0.192 100 K C -0.102 176.127 176.600 -0.618 0.000 1.029 100 K CA 0.858 56.867 56.287 -0.463 0.000 1.029 100 K CB -0.248 31.928 32.500 -0.539 0.000 0.814 100 K HN 0.584 nan 8.250 nan 0.000 0.503 101 F N 1.307 121.087 119.950 -0.283 0.000 2.730 101 F HA 0.327 4.854 4.527 0.000 0.000 0.295 101 F C 1.025 176.715 175.800 -0.184 0.000 1.143 101 F CA -0.094 57.743 58.000 -0.271 0.000 1.367 101 F CB 0.885 39.578 39.000 -0.512 0.000 0.970 101 F HN 0.287 nan 8.300 nan 0.000 0.514 102 G N 0.456 109.201 108.800 -0.092 0.000 2.140 102 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.211 102 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.211 102 G C -0.408 174.570 174.900 0.130 0.000 1.013 102 G CA 0.047 45.158 45.100 0.018 0.000 0.705 102 G HN 0.543 nan 8.290 nan 0.000 0.508 103 Y N -2.835 117.460 120.300 -0.007 0.000 2.656 103 Y HA 0.775 5.325 4.550 -0.000 0.000 0.334 103 Y C 0.322 176.224 175.900 0.004 0.000 1.179 103 Y CA -1.053 57.045 58.100 -0.003 0.000 1.050 103 Y CB 0.550 39.010 38.460 0.000 0.000 1.308 103 Y HN 0.752 nan 8.280 nan 0.000 0.456 104 G N -0.288 108.595 108.800 0.137 0.000 3.042 104 G HA2 0.551 4.511 3.960 -0.000 0.000 0.278 104 G HA3 0.551 4.511 3.960 -0.000 0.000 0.278 104 G C 0.180 175.137 174.900 0.094 0.000 1.371 104 G CA -0.761 44.362 45.100 0.038 0.000 1.009 104 G HN 1.208 nan 8.290 nan 0.000 0.523 105 A N -0.351 122.479 122.820 0.016 0.000 1.908 105 A HA -0.043 4.277 4.320 -0.000 0.000 0.218 105 A C 2.189 179.745 177.584 -0.047 0.000 1.181 105 A CA 2.340 54.364 52.037 -0.022 0.000 0.627 105 A CB -0.414 18.531 19.000 -0.091 0.000 0.818 105 A HN 0.489 nan 8.150 nan 0.000 0.445 106 K N 0.071 120.438 120.400 -0.055 0.000 2.148 106 K HA -0.102 4.218 4.320 -0.000 0.000 0.204 106 K C 1.488 178.069 176.600 -0.032 0.000 1.050 106 K CA 1.485 57.730 56.287 -0.070 0.000 0.942 106 K CB -0.171 32.292 32.500 -0.061 0.000 0.724 106 K HN 0.502 nan 8.250 nan 0.000 0.446 107 D N -0.383 120.028 120.400 0.018 0.000 2.097 107 D HA -0.142 4.498 4.640 -0.000 0.000 0.195 107 D C 1.888 178.183 176.300 -0.008 0.000 0.989 107 D CA 1.105 55.120 54.000 0.026 0.000 0.827 107 D CB -0.212 40.650 40.800 0.104 0.000 0.966 107 D HN -0.037 nan 8.370 nan 0.000 0.456 108 V N 1.527 121.459 119.914 0.029 0.000 2.255 108 V HA -0.263 3.857 4.120 -0.000 0.000 0.247 108 V C 2.548 178.605 176.094 -0.062 0.000 1.051 108 V CA 1.707 63.996 62.300 -0.018 0.000 1.018 108 V CB -0.402 31.443 31.823 0.037 0.000 0.641 108 V HN 0.146 nan 8.190 nan 0.000 0.445 109 R N 0.214 120.670 120.500 -0.072 0.000 2.105 109 R HA -0.137 4.203 4.340 -0.000 0.000 0.239 109 R C 1.954 178.207 176.300 -0.078 0.000 1.135 109 R CA 1.499 57.542 56.100 -0.094 0.000 0.967 109 R CB -0.443 29.777 30.300 -0.133 0.000 0.861 109 R HN 0.514 nan 8.270 nan 0.000 0.442 110 N N 0.746 119.405 118.700 -0.067 0.000 2.515 110 N HA 0.016 4.756 4.740 -0.000 0.000 0.185 110 N C 0.316 175.790 175.510 -0.060 0.000 1.109 110 N CA 0.450 53.466 53.050 -0.057 0.000 0.903 110 N CB 0.154 38.614 38.487 -0.045 0.000 0.969 110 N HN 0.165 nan 8.380 nan 0.000 0.450 111 L N 0.535 121.714 121.223 -0.075 0.000 3.608 111 L HA -0.207 4.133 4.340 -0.000 0.000 0.422 111 L C 0.188 177.007 176.870 -0.087 0.000 1.260 111 L CA -0.171 54.617 54.840 -0.088 0.000 0.889 111 L CB -2.377 39.637 42.059 -0.075 0.000 1.821 111 L HN 0.055 nan 8.230 nan 0.000 0.884 112 S N -0.719 114.928 115.700 -0.088 0.000 2.560 112 S HA 0.190 4.660 4.470 -0.000 0.000 0.284 112 S C 1.432 175.963 174.600 -0.115 0.000 1.327 112 S CA 0.369 58.519 58.200 -0.084 0.000 1.055 112 S CB 1.523 64.681 63.200 -0.070 0.000 0.868 112 S HN 0.342 nan 8.310 nan 0.000 0.506 113 S N 3.684 119.334 115.700 -0.083 0.000 2.453 113 S HA -0.020 4.450 4.470 -0.000 0.000 0.231 113 S C 1.739 176.281 174.600 -0.097 0.000 1.005 113 S CA 0.706 58.858 58.200 -0.080 0.000 0.949 113 S CB -0.181 62.995 63.200 -0.040 0.000 0.774 113 S HN 0.817 nan 8.310 nan 0.000 0.510 114 K N 1.597 121.935 120.400 -0.103 0.000 2.057 114 K HA -0.011 4.309 4.320 -0.000 0.000 0.206 114 K C 2.199 178.623 176.600 -0.294 0.000 1.050 114 K CA 1.137 57.355 56.287 -0.114 0.000 0.935 114 K CB -0.295 32.175 32.500 -0.051 0.000 0.715 114 K HN 0.288 nan 8.250 nan 0.000 0.439 115 A N 0.622 123.163 122.820 -0.465 0.000 1.873 115 A HA -0.084 4.236 4.320 -0.000 0.000 0.215 115 A C 2.224 179.485 177.584 -0.539 0.000 1.186 115 A CA 1.493 52.975 52.037 -0.925 0.000 0.616 115 A CB -0.630 17.970 19.000 -0.667 0.000 0.823 115 A HN 0.164 nan 8.150 nan 0.000 0.442 116 V N 1.315 121.016 119.914 -0.354 0.000 2.343 116 V HA -0.271 3.849 4.120 -0.000 0.000 0.247 116 V C 2.479 178.342 176.094 -0.385 0.000 1.051 116 V CA 2.107 64.181 62.300 -0.378 0.000 1.036 116 V CB -1.035 30.612 31.823 -0.294 0.000 0.654 116 V HN 0.770 nan 8.190 nan 0.000 0.451 117 N N -0.397 118.197 118.700 -0.175 0.000 2.084 117 N HA -0.280 4.460 4.740 -0.000 0.000 0.190 117 N C 2.084 177.584 175.510 -0.017 0.000 1.030 117 N CA 1.829 54.866 53.050 -0.021 0.000 0.849 117 N CB -0.260 38.234 38.487 0.010 0.000 1.012 117 N HN 0.700 nan 8.380 nan 0.000 0.423 118 H N 0.937 119.911 119.070 -0.159 0.000 2.353 118 H HA -0.035 4.521 4.556 -0.000 0.000 0.300 118 H C 2.245 177.523 175.328 -0.084 0.000 1.090 118 H CA 1.271 57.255 56.048 -0.107 0.000 1.327 118 H CB -0.005 29.715 29.762 -0.070 0.000 1.383 118 H HN 0.268 nan 8.280 nan 0.000 0.508 119 I N 0.202 120.645 120.570 -0.211 0.000 2.361 119 I HA -0.281 3.889 4.170 -0.000 0.000 0.251 119 I C 2.197 178.244 176.117 -0.118 0.000 1.133 119 I CA 1.274 62.454 61.300 -0.201 0.000 1.413 119 I CB -0.461 37.418 38.000 -0.202 0.000 1.073 119 I HN 0.377 nan 8.210 nan 0.000 0.424 120 H N -0.136 118.885 119.070 -0.082 0.000 2.421 120 H HA -0.134 4.422 4.556 -0.000 0.000 0.298 120 H C 2.541 177.874 175.328 0.009 0.000 1.087 120 H CA 1.446 57.480 56.048 -0.024 0.000 1.330 120 H CB 0.147 29.884 29.762 -0.041 0.000 1.388 120 H HN 0.378 nan 8.280 nan 0.000 0.526 121 S N 0.006 115.725 115.700 0.032 0.000 2.395 121 S HA -0.087 4.383 4.470 -0.000 0.000 0.225 121 S C 2.236 176.780 174.600 -0.094 0.000 1.027 121 S CA 0.810 58.990 58.200 -0.034 0.000 0.965 121 S CB -0.553 62.601 63.200 -0.077 0.000 0.812 121 S HN 0.126 nan 8.310 nan 0.000 0.482 122 V N 1.202 120.992 119.914 -0.207 0.000 2.295 122 V HA -0.154 3.966 4.120 -0.000 0.000 0.246 122 V C 2.275 178.367 176.094 -0.002 0.000 1.049 122 V CA 1.975 64.174 62.300 -0.168 0.000 1.024 122 V CB -1.139 30.551 31.823 -0.221 0.000 0.648 122 V HN 0.725 nan 8.190 nan 0.000 0.447 123 W N 1.364 122.604 121.300 -0.099 0.000 2.355 123 W HA -0.221 4.439 4.660 -0.000 0.000 0.309 123 W C 2.538 179.032 176.519 -0.041 0.000 1.206 123 W CA 2.313 59.630 57.345 -0.047 0.000 1.284 123 W CB -0.215 29.243 29.460 -0.003 0.000 1.145 123 W HN 0.224 nan 8.180 nan 0.000 0.502 124 K N 0.595 121.073 120.400 0.130 0.000 2.103 124 K HA -0.269 4.051 4.320 -0.000 0.000 0.207 124 K C 1.698 178.246 176.600 -0.087 0.000 1.048 124 K CA 2.235 58.529 56.287 0.012 0.000 0.930 124 K CB -0.553 31.981 32.500 0.057 0.000 0.716 124 K HN 0.074 nan 8.250 nan 0.000 0.444 125 D N 0.269 120.620 120.400 -0.082 0.000 2.117 125 D HA -0.133 4.507 4.640 -0.000 0.000 0.198 125 D C 2.022 178.235 176.300 -0.144 0.000 0.982 125 D CA 0.884 54.825 54.000 -0.097 0.000 0.828 125 D CB 0.081 40.829 40.800 -0.086 0.000 0.967 125 D HN 0.178 nan 8.370 nan 0.000 0.464 126 L N 0.019 121.117 121.223 -0.208 0.000 2.042 126 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 126 L C 2.507 179.196 176.870 -0.302 0.000 1.076 126 L CA 0.823 55.497 54.840 -0.276 0.000 0.749 126 L CB -0.442 41.377 42.059 -0.401 0.000 0.893 126 L HN 0.243 nan 8.230 nan 0.000 0.432 127 L N -0.777 120.227 121.223 -0.366 0.000 2.141 127 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 127 L C 2.322 179.094 176.870 -0.164 0.000 1.094 127 L CA 1.266 55.934 54.840 -0.286 0.000 0.763 127 L CB -0.409 41.483 42.059 -0.279 0.000 0.908 127 L HN 0.320 nan 8.230 nan 0.000 0.437 128 E N -1.061 119.059 120.200 -0.133 0.000 2.250 128 E HA -0.058 4.292 4.350 -0.000 0.000 0.192 128 E C 0.176 176.731 176.600 -0.075 0.000 0.986 128 E CA 0.205 56.553 56.400 -0.085 0.000 0.849 128 E CB 0.350 30.011 29.700 -0.065 0.000 0.797 128 E HN 0.201 nan 8.360 nan 0.000 0.482 129 D N 0.267 120.615 120.400 -0.087 0.000 2.593 129 D HA 0.058 4.698 4.640 -0.000 0.000 0.251 129 D C -0.336 175.914 176.300 -0.082 0.000 1.140 129 D CA -0.443 53.516 54.000 -0.070 0.000 0.855 129 D CB 1.474 42.240 40.800 -0.057 0.000 1.267 129 D HN -0.057 nan 8.370 nan 0.000 0.532 130 T N 0.611 115.124 114.554 -0.068 0.000 3.296 130 T HA 0.324 4.674 4.350 -0.000 0.000 0.285 130 T C 0.704 175.375 174.700 -0.049 0.000 1.014 130 T CA -0.217 61.841 62.100 -0.070 0.000 0.920 130 T CB 0.086 68.915 68.868 -0.066 0.000 1.143 130 T HN 0.140 nan 8.240 nan 0.000 0.522 131 V N 0.044 119.933 119.914 -0.041 0.000 3.279 131 V HA 0.204 4.324 4.120 -0.000 0.000 0.213 131 V C 0.946 177.032 176.094 -0.014 0.000 1.335 131 V CA 0.256 62.542 62.300 -0.024 0.000 1.317 131 V CB 0.066 31.877 31.823 -0.020 0.000 1.209 131 V HN 0.482 nan 8.190 nan 0.000 0.525 132 T N 4.349 118.894 114.554 -0.015 0.000 2.831 132 T HA 0.162 4.511 4.350 -0.000 0.000 0.291 132 T C -2.455 172.246 174.700 0.001 0.000 0.981 132 T CA -0.361 61.739 62.100 -0.001 0.000 1.174 132 T CB 0.535 69.402 68.868 -0.002 0.000 0.929 132 T HN 0.182 nan 8.240 nan 0.000 0.532 133 P HA 0.159 nan 4.420 nan 0.000 0.265 133 P C -0.153 177.145 177.300 -0.004 0.000 1.193 133 P CA -0.098 63.014 63.100 0.020 0.000 0.765 133 P CB 0.347 32.098 31.700 0.086 0.000 0.823 134 I N 2.256 122.807 120.570 -0.031 0.000 2.396 134 I HA 0.150 4.320 4.170 -0.000 0.000 0.292 134 I C 0.937 177.037 176.117 -0.029 0.000 0.999 134 I CA -0.492 60.796 61.300 -0.020 0.000 1.310 134 I CB 0.799 38.782 38.000 -0.029 0.000 1.404 134 I HN 0.321 nan 8.210 nan 0.000 0.496 135 D N 4.253 124.651 120.400 -0.003 0.000 2.423 135 D HA 0.174 4.814 4.640 -0.000 0.000 0.238 135 D C -0.331 175.937 176.300 -0.054 0.000 1.142 135 D CA 0.330 54.314 54.000 -0.027 0.000 0.884 135 D CB 0.800 41.600 40.800 -0.000 0.000 1.199 135 D HN 0.635 nan 8.370 nan 0.000 0.438 136 T N -0.668 113.825 114.554 -0.102 0.000 2.906 136 T HA 0.599 4.949 4.350 -0.000 0.000 0.295 136 T C -0.360 174.197 174.700 -0.238 0.000 1.075 136 T CA -0.980 61.024 62.100 -0.160 0.000 1.005 136 T CB 1.550 70.350 68.868 -0.112 0.000 1.136 136 T HN 0.226 nan 8.240 nan 0.000 0.498 137 T N 2.171 116.440 114.554 -0.474 0.000 2.867 137 T HA 0.616 4.966 4.350 -0.000 0.000 0.282 137 T C -0.418 174.076 174.700 -0.342 0.000 1.000 137 T CA -0.656 61.156 62.100 -0.479 0.000 1.042 137 T CB 0.833 69.241 68.868 -0.767 0.000 0.973 137 T HN 0.742 nan 8.240 nan 0.000 0.465 138 I N 3.597 124.099 120.570 -0.113 0.000 2.406 138 I HA 0.524 4.694 4.170 -0.000 0.000 0.290 138 I C -1.135 175.022 176.117 0.066 0.000 0.999 138 I CA -0.875 60.440 61.300 0.025 0.000 1.124 138 I CB 0.809 38.865 38.000 0.094 0.000 1.289 138 I HN 0.405 nan 8.210 nan 0.000 0.441 139 M N 6.268 125.950 119.600 0.135 0.000 2.572 139 M HA 0.514 4.994 4.480 -0.000 0.000 0.299 139 M C -0.425 175.939 176.300 0.106 0.000 1.205 139 M CA -0.608 54.771 55.300 0.133 0.000 0.876 139 M CB 1.817 34.543 32.600 0.209 0.000 1.728 139 M HN 0.612 nan 8.290 nan 0.000 0.458 140 A N 2.261 125.125 122.820 0.072 0.000 2.366 140 A HA 0.460 4.780 4.320 -0.000 0.000 0.272 140 A C -0.069 177.558 177.584 0.071 0.000 1.135 140 A CA -0.392 51.681 52.037 0.060 0.000 0.804 140 A CB 0.191 19.213 19.000 0.037 0.000 1.064 140 A HN 0.765 nan 8.150 nan 0.000 0.499 141 K N 1.779 122.224 120.400 0.074 0.000 2.270 141 K HA 0.133 4.453 4.320 -0.000 0.000 0.276 141 K C -0.634 175.994 176.600 0.047 0.000 1.023 141 K CA 0.080 56.404 56.287 0.063 0.000 0.955 141 K CB 0.580 33.124 32.500 0.073 0.000 0.975 141 K HN 0.753 nan 8.250 nan 0.000 0.471 142 N N 2.590 121.300 118.700 0.015 0.000 2.589 142 N HA 0.090 4.830 4.740 -0.000 0.000 0.232 142 N C -1.256 174.186 175.510 -0.113 0.000 1.015 142 N CA -0.260 52.775 53.050 -0.025 0.000 0.931 142 N CB 0.828 39.308 38.487 -0.011 0.000 1.150 142 N HN 0.386 nan 8.380 nan 0.000 0.512 143 E N 0.805 120.935 120.200 -0.117 0.000 2.256 143 E HA 0.428 4.778 4.350 -0.000 0.000 0.267 143 E C -0.821 175.469 176.600 -0.516 0.000 0.892 143 E CA -0.956 55.276 56.400 -0.280 0.000 0.775 143 E CB 2.480 32.108 29.700 -0.121 0.000 1.207 143 E HN 0.079 nan 8.360 nan 0.000 0.420 144 V N 3.497 122.911 119.914 -0.833 0.000 2.481 144 V HA 0.460 4.580 4.120 -0.000 0.000 0.286 144 V C -0.664 174.760 176.094 -1.117 0.000 1.042 144 V CA -0.123 61.653 62.300 -0.874 0.000 0.928 144 V CB 0.179 31.541 31.823 -0.769 0.000 0.986 144 V HN 0.535 nan 8.190 nan 0.000 0.462 145 F N 2.042 121.599 119.950 -0.655 0.000 2.824 145 F HA 0.659 5.186 4.527 -0.000 0.000 0.330 145 F C -0.035 175.581 175.800 -0.305 0.000 1.175 145 F CA -0.717 56.990 58.000 -0.488 0.000 0.974 145 F CB 1.375 40.053 39.000 -0.537 0.000 1.430 145 F HN 0.513 nan 8.300 nan 0.000 0.507 146 C N 2.499 121.907 119.300 0.179 0.000 2.379 146 C HA 0.782 5.242 4.460 -0.000 0.000 0.323 146 C C -0.264 174.940 174.990 0.357 0.000 1.262 146 C CA -0.800 58.361 59.018 0.239 0.000 1.581 146 C CB 0.070 27.891 27.740 0.135 0.000 2.221 146 C HN 0.723 nan 8.230 nan 0.000 0.497 147 V N 5.313 125.444 119.914 0.362 0.000 2.814 147 V HA 0.236 4.356 4.120 -0.000 0.000 0.307 147 V C 0.286 176.454 176.094 0.123 0.000 1.089 147 V CA 0.630 63.061 62.300 0.218 0.000 1.212 147 V CB -0.314 31.557 31.823 0.080 0.000 0.912 147 V HN 1.333 nan 8.190 nan 0.000 0.497 155 K N 2.923 123.337 120.400 0.024 0.000 2.201 155 K HA 0.399 4.719 4.320 -0.000 0.000 0.278 155 K C -2.034 174.569 176.600 0.004 0.000 1.027 155 K CA -1.628 54.625 56.287 -0.056 0.000 0.909 155 K CB 0.961 33.287 32.500 -0.291 0.000 1.062 155 K HN 0.264 nan 8.250 nan 0.000 0.465 156 P HA 0.000 nan 4.420 nan 0.000 0.272 156 P C -0.618 176.696 177.300 0.022 0.000 1.223 156 P CA -0.347 62.755 63.100 0.004 0.000 0.784 156 P CB 0.754 32.445 31.700 -0.016 0.000 0.923 157 A N 3.862 126.711 122.820 0.048 0.000 2.536 157 A HA 0.055 4.375 4.320 -0.000 0.000 0.234 157 A C 0.623 178.239 177.584 0.054 0.000 1.076 157 A CA 0.191 52.269 52.037 0.068 0.000 0.769 157 A CB -0.295 18.742 19.000 0.062 0.000 1.020 157 A HN 0.531 nan 8.150 nan 0.000 0.508 158 R N -0.518 120.030 120.500 0.080 0.000 2.528 158 R HA 0.576 4.916 4.340 -0.000 0.000 0.271 158 R C -0.810 175.538 176.300 0.080 0.000 1.056 158 R CA -0.423 55.727 56.100 0.085 0.000 1.117 158 R CB 0.707 31.075 30.300 0.113 0.000 1.085 158 R HN 0.631 nan 8.270 nan 0.000 0.530 159 L N 2.549 123.824 121.223 0.087 0.000 2.295 159 L HA 0.482 4.822 4.340 -0.000 0.000 0.285 159 L C -0.536 176.418 176.870 0.140 0.000 1.035 159 L CA -0.900 53.997 54.840 0.094 0.000 0.806 159 L CB 1.411 43.509 42.059 0.064 0.000 1.214 159 L HN 0.437 nan 8.230 nan 0.000 0.426 160 I N 3.338 124.007 120.570 0.166 0.000 2.441 160 I HA 0.493 4.663 4.170 -0.000 0.000 0.295 160 I C -0.738 175.548 176.117 0.281 0.000 0.994 160 I CA -0.350 61.083 61.300 0.222 0.000 1.144 160 I CB 1.884 40.015 38.000 0.217 0.000 1.314 160 I HN 0.205 nan 8.210 nan 0.000 0.445 161 V N 8.857 128.943 119.914 0.286 0.000 2.443 161 V HA 0.578 4.698 4.120 -0.000 0.000 0.293 161 V C -0.866 175.405 176.094 0.295 0.000 1.021 161 V CA -0.479 61.953 62.300 0.220 0.000 0.848 161 V CB 1.050 32.979 31.823 0.177 0.000 0.998 161 V HN 0.594 nan 8.190 nan 0.000 0.424 162 F N 5.163 125.162 119.950 0.081 0.000 2.619 162 F HA 0.927 5.454 4.527 -0.000 0.000 0.308 162 F C -3.057 172.785 175.800 0.071 0.000 1.097 162 F CA -2.625 55.423 58.000 0.081 0.000 0.953 162 F CB 1.673 40.716 39.000 0.072 0.000 1.287 162 F HN 0.295 nan 8.300 nan 0.000 0.446 163 P HA 0.159 nan 4.420 nan 0.000 0.279 163 P C -1.039 176.385 177.300 0.206 0.000 1.282 163 P CA -0.100 63.068 63.100 0.114 0.000 0.788 163 P CB 0.984 32.765 31.700 0.135 0.000 1.139 164 D N -0.970 119.533 120.400 0.172 0.000 2.362 164 D HA -0.007 4.633 4.640 -0.000 0.000 0.242 164 D C 1.359 177.800 176.300 0.235 0.000 1.132 164 D CA -0.356 53.774 54.000 0.217 0.000 0.907 164 D CB 0.298 41.273 40.800 0.292 0.000 1.195 164 D HN 0.101 nan 8.370 nan 0.000 0.429 165 L N 3.583 124.925 121.223 0.197 0.000 2.064 165 L HA -0.085 4.255 4.340 -0.000 0.000 0.216 165 L C 1.979 178.990 176.870 0.235 0.000 1.077 165 L CA 2.658 57.601 54.840 0.171 0.000 0.766 165 L CB -1.077 41.033 42.059 0.086 0.000 0.890 165 L HN 0.654 nan 8.230 nan 0.000 0.435 166 G N -1.352 107.650 108.800 0.337 0.000 2.418 166 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.217 166 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.217 166 G C 1.528 176.539 174.900 0.186 0.000 1.158 166 G CA 1.037 46.348 45.100 0.351 0.000 0.771 166 G HN 0.364 nan 8.290 nan 0.000 0.545 167 V N 0.920 120.941 119.914 0.178 0.000 2.295 167 V HA -0.185 3.935 4.120 -0.000 0.000 0.246 167 V C 2.936 179.118 176.094 0.147 0.000 1.049 167 V CA 2.001 64.382 62.300 0.134 0.000 1.024 167 V CB -0.491 31.404 31.823 0.120 0.000 0.648 167 V HN 0.340 nan 8.190 nan 0.000 0.447 168 R N -0.279 120.317 120.500 0.160 0.000 2.105 168 R HA -0.136 4.204 4.340 -0.000 0.000 0.239 168 R C 2.208 178.579 176.300 0.118 0.000 1.135 168 R CA 1.487 57.675 56.100 0.148 0.000 0.967 168 R CB -0.702 29.680 30.300 0.136 0.000 0.861 168 R HN 0.427 nan 8.270 nan 0.000 0.442 169 V N 0.483 120.461 119.914 0.105 0.000 2.407 169 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 169 V C 2.483 178.620 176.094 0.072 0.000 1.055 169 V CA 1.565 63.900 62.300 0.059 0.000 1.049 169 V CB -0.426 31.422 31.823 0.042 0.000 0.662 169 V HN 0.455 nan 8.190 nan 0.000 0.455 170 C N -0.337 119.047 119.300 0.140 0.000 2.440 170 C HA -0.112 4.348 4.460 -0.000 0.000 0.278 170 C C 2.634 177.798 174.990 0.290 0.000 1.295 170 C CA 0.636 59.816 59.018 0.270 0.000 1.738 170 C CB -0.935 27.029 27.740 0.374 0.000 1.987 170 C HN 0.614 nan 8.230 nan 0.000 0.492 171 E N 0.988 121.316 120.200 0.213 0.000 2.049 171 E HA -0.255 4.095 4.350 -0.000 0.000 0.198 171 E C 2.164 178.886 176.600 0.203 0.000 1.007 171 E CA 1.379 57.911 56.400 0.220 0.000 0.809 171 E CB -0.168 29.667 29.700 0.226 0.000 0.749 171 E HN 0.629 nan 8.360 nan 0.000 0.450 172 K N 0.194 120.684 120.400 0.151 0.000 2.032 172 K HA -0.143 4.177 4.320 -0.000 0.000 0.209 172 K C 2.235 178.906 176.600 0.119 0.000 1.048 172 K CA 1.456 57.819 56.287 0.127 0.000 0.927 172 K CB -0.148 32.351 32.500 -0.000 0.000 0.712 172 K HN 0.146 nan 8.250 nan 0.000 0.441 173 M N 0.097 119.734 119.600 0.062 0.000 2.086 173 M HA -0.174 4.306 4.480 -0.000 0.000 0.261 173 M C 2.405 178.772 176.300 0.113 0.000 1.067 173 M CA 1.741 57.029 55.300 -0.019 0.000 1.116 173 M CB -0.303 32.131 32.600 -0.276 0.000 1.348 173 M HN 0.230 nan 8.290 nan 0.000 0.407 174 A N -0.694 122.294 122.820 0.280 0.000 1.970 174 A HA 0.065 4.385 4.320 -0.000 0.000 0.216 174 A C 1.790 179.479 177.584 0.174 0.000 1.170 174 A CA 1.054 53.288 52.037 0.328 0.000 0.645 174 A CB -0.095 19.128 19.000 0.372 0.000 0.816 174 A HN 0.508 nan 8.150 nan 0.000 0.447 175 L N -3.214 118.097 121.223 0.146 0.000 3.174 175 L HA 0.182 4.522 4.340 -0.000 0.000 0.283 175 L C 1.761 178.661 176.870 0.050 0.000 1.187 175 L CA 0.018 54.885 54.840 0.045 0.000 1.018 175 L CB 0.104 42.164 42.059 0.001 0.000 1.433 175 L HN 0.435 nan 8.230 nan 0.000 0.593 176 Y N 1.555 121.872 120.300 0.029 0.000 2.165 176 Y HA -0.317 4.233 4.550 -0.000 0.000 0.286 176 Y C 2.176 178.107 175.900 0.052 0.000 1.155 176 Y CA 2.289 60.418 58.100 0.048 0.000 1.164 176 Y CB 0.110 38.587 38.460 0.030 0.000 0.978 176 Y HN 0.227 nan 8.280 nan 0.000 0.513 177 D N -0.643 119.768 120.400 0.019 0.000 2.097 177 D HA -0.170 4.470 4.640 -0.000 0.000 0.195 177 D C 2.226 178.451 176.300 -0.124 0.000 0.989 177 D CA 1.634 55.600 54.000 -0.058 0.000 0.827 177 D CB -0.267 40.556 40.800 0.038 0.000 0.966 177 D HN 0.249 nan 8.370 nan 0.000 0.456 178 V N 0.600 120.454 119.914 -0.100 0.000 2.287 178 V HA -0.238 3.882 4.120 -0.000 0.000 0.248 178 V C 2.646 178.635 176.094 -0.175 0.000 1.053 178 V CA 1.912 64.135 62.300 -0.128 0.000 1.027 178 V CB -0.796 30.923 31.823 -0.173 0.000 0.646 178 V HN 0.354 nan 8.190 nan 0.000 0.447 179 V N -2.825 116.964 119.914 -0.208 0.000 3.380 179 V HA 0.005 4.125 4.120 -0.000 0.000 0.268 179 V C 1.903 177.864 176.094 -0.222 0.000 1.168 179 V CA 1.758 63.941 62.300 -0.195 0.000 1.156 179 V CB -0.139 31.597 31.823 -0.146 0.000 0.785 179 V HN 0.439 nan 8.190 nan 0.000 0.487 180 S N 0.922 116.468 115.700 -0.256 0.000 2.503 180 S HA 0.010 4.480 4.470 -0.000 0.000 0.217 180 S C 1.829 176.336 174.600 -0.154 0.000 0.999 180 S CA 1.240 59.308 58.200 -0.221 0.000 0.914 180 S CB 0.180 63.180 63.200 -0.334 0.000 0.782 180 S HN 0.947 nan 8.310 nan 0.000 0.520 181 T N -1.471 112.986 114.554 -0.163 0.000 3.057 181 T HA 0.273 4.622 4.350 -0.000 0.000 0.254 181 T C 1.579 176.175 174.700 -0.174 0.000 0.965 181 T CA -0.291 61.728 62.100 -0.135 0.000 0.978 181 T CB -0.492 68.323 68.868 -0.089 0.000 1.169 181 T HN 0.143 nan 8.240 nan 0.000 0.489 182 L N 2.391 123.514 121.223 -0.167 0.000 2.017 182 L HA 0.136 4.476 4.340 -0.000 0.000 0.208 182 L C -0.919 175.802 176.870 -0.248 0.000 1.073 182 L CA 2.174 56.925 54.840 -0.148 0.000 0.745 182 L CB -1.584 40.437 42.059 -0.064 0.000 0.894 182 L HN 0.158 nan 8.230 nan 0.000 0.432 183 P HA -0.201 nan 4.420 nan 0.000 0.215 183 P C 1.630 178.486 177.300 -0.740 0.000 1.153 183 P CA 1.247 63.976 63.100 -0.618 0.000 0.853 183 P CB -0.149 30.982 31.700 -0.948 0.000 0.788 184 Q N -0.051 119.300 119.800 -0.748 0.000 2.119 184 Q HA -0.090 4.250 4.340 -0.000 0.000 0.201 184 Q C 2.000 177.849 176.000 -0.252 0.000 0.972 184 Q CA 1.337 56.875 55.803 -0.441 0.000 0.847 184 Q CB -0.762 27.837 28.738 -0.231 0.000 0.903 184 Q HN 0.075 nan 8.270 nan 0.000 0.433 185 V N 0.081 119.862 119.914 -0.221 0.000 2.358 185 V HA -0.209 3.911 4.120 -0.000 0.000 0.246 185 V C 2.506 178.510 176.094 -0.150 0.000 1.047 185 V CA 1.408 63.621 62.300 -0.146 0.000 1.035 185 V CB -0.432 31.324 31.823 -0.112 0.000 0.658 185 V HN 0.125 nan 8.190 nan 0.000 0.452 186 V N -0.616 119.177 119.914 -0.201 0.000 2.379 186 V HA -0.205 3.915 4.120 -0.000 0.000 0.245 186 V C 2.066 177.999 176.094 -0.268 0.000 1.044 186 V CA 2.214 64.395 62.300 -0.198 0.000 1.036 186 V CB -0.443 31.252 31.823 -0.213 0.000 0.664 186 V HN 0.477 nan 8.190 nan 0.000 0.453 187 M N -1.199 118.168 119.600 -0.388 0.000 2.414 187 M HA 0.371 4.851 4.480 -0.000 0.000 0.251 187 M C 1.488 177.670 176.300 -0.196 0.000 1.116 187 M CA 0.787 55.776 55.300 -0.518 0.000 1.056 187 M CB 0.397 32.557 32.600 -0.733 0.000 1.388 187 M HN 0.454 nan 8.290 nan 0.000 0.487 188 G N 1.600 110.315 108.800 -0.141 0.000 2.622 188 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.307 188 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.307 188 G C 0.870 175.732 174.900 -0.064 0.000 1.226 188 G CA 0.854 45.914 45.100 -0.067 0.000 0.997 188 G HN 0.532 nan 8.290 nan 0.000 0.551 189 S N -0.571 115.112 115.700 -0.028 0.000 2.515 189 S HA 0.189 4.659 4.470 -0.000 0.000 0.231 189 S C 2.131 176.610 174.600 -0.201 0.000 0.987 189 S CA 1.711 59.833 58.200 -0.131 0.000 0.936 189 S CB 0.083 63.281 63.200 -0.005 0.000 0.766 189 S HN 0.965 nan 8.310 nan 0.000 0.528 190 S N 0.426 116.127 115.700 0.000 0.000 2.522 190 S HA 0.133 4.603 4.470 -0.000 0.000 0.227 190 S C 0.133 174.749 174.600 0.027 0.000 0.986 190 S CA -0.129 58.121 58.200 0.085 0.000 0.929 190 S CB -0.415 62.948 63.200 0.270 0.000 0.769 190 S HN 0.711 nan 8.310 nan 0.000 0.529 191 Y N 2.766 122.948 120.300 -0.197 0.000 2.486 191 Y HA 0.467 5.017 4.550 0.000 0.000 0.348 191 Y C 1.239 176.965 175.900 -0.290 0.000 1.000 191 Y CA -1.404 56.552 58.100 -0.240 0.000 1.253 191 Y CB 0.106 38.416 38.460 -0.250 0.000 1.140 191 Y HN 0.049 nan 8.280 nan 0.000 0.526 192 G N 4.450 112.812 108.800 -0.731 0.000 2.448 192 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.218 192 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.218 192 G C 0.959 175.354 174.900 -0.843 0.000 1.135 192 G CA 0.239 44.938 45.100 -0.669 0.000 0.784 192 G HN 0.634 nan 8.290 nan 0.000 0.543 193 F N 1.179 120.480 119.950 -1.083 0.000 2.802 193 F HA 0.093 4.620 4.527 -0.000 0.000 0.300 193 F C 2.712 178.305 175.800 -0.344 0.000 1.168 193 F CA 0.619 58.104 58.000 -0.858 0.000 1.433 193 F CB 0.005 38.469 39.000 -0.893 0.000 1.115 193 F HN 0.353 nan 8.300 nan 0.000 0.582 194 Q N -0.695 118.879 119.800 -0.377 0.000 2.444 194 Q HA -0.043 4.297 4.340 -0.000 0.000 0.206 194 Q C -0.703 175.160 176.000 -0.228 0.000 0.948 194 Q CA 0.623 56.294 55.803 -0.220 0.000 0.946 194 Q CB -0.246 28.277 28.738 -0.359 0.000 1.027 194 Q HN 0.305 nan 8.270 nan 0.000 0.513 195 Y N 1.692 122.024 120.300 0.052 0.000 2.360 195 Y HA 0.313 4.863 4.550 -0.000 0.000 0.337 195 Y C 0.547 176.371 175.900 -0.126 0.000 1.039 195 Y CA -1.200 56.880 58.100 -0.034 0.000 1.109 195 Y CB 1.529 39.919 38.460 -0.116 0.000 1.201 195 Y HN 0.087 nan 8.280 nan 0.000 0.458 196 S N 2.614 118.111 115.700 -0.339 0.000 2.596 196 S HA 0.174 4.644 4.470 -0.000 0.000 0.260 196 S C -2.014 172.284 174.600 -0.502 0.000 1.336 196 S CA -0.957 56.569 58.200 -1.124 0.000 0.993 196 S CB 1.066 63.650 63.200 -1.026 0.000 0.923 196 S HN 0.442 nan 8.310 nan 0.000 0.567 197 P HA 0.022 nan 4.420 nan 0.000 0.215 197 P C 1.760 178.973 177.300 -0.146 0.000 1.153 197 P CA 1.610 64.578 63.100 -0.220 0.000 0.853 197 P CB -0.546 31.050 31.700 -0.173 0.000 0.788 198 G N -0.156 108.526 108.800 -0.197 0.000 2.440 198 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.218 198 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.218 198 G C 1.533 176.376 174.900 -0.096 0.000 1.154 198 G CA 0.652 45.691 45.100 -0.103 0.000 0.767 198 G HN 0.319 nan 8.290 nan 0.000 0.552 199 Q N -0.623 119.104 119.800 -0.120 0.000 2.172 199 Q HA 0.043 4.383 4.340 -0.000 0.000 0.200 199 Q C 2.582 178.461 176.000 -0.202 0.000 0.964 199 Q CA 0.715 56.483 55.803 -0.060 0.000 0.855 199 Q CB -0.094 28.697 28.738 0.088 0.000 0.918 199 Q HN 0.468 nan 8.270 nan 0.000 0.444 200 R N 0.476 120.848 120.500 -0.214 0.000 2.092 200 R HA -0.107 4.233 4.340 -0.000 0.000 0.231 200 R C 1.987 178.163 176.300 -0.208 0.000 1.119 200 R CA 0.944 56.847 56.100 -0.329 0.000 0.970 200 R CB -0.011 30.203 30.300 -0.143 0.000 0.864 200 R HN 0.087 nan 8.270 nan 0.000 0.440 201 V N 1.358 121.194 119.914 -0.131 0.000 2.295 201 V HA -0.241 3.879 4.120 -0.000 0.000 0.246 201 V C 2.342 178.357 176.094 -0.133 0.000 1.049 201 V CA 2.248 64.483 62.300 -0.109 0.000 1.024 201 V CB -0.599 31.200 31.823 -0.039 0.000 0.648 201 V HN 0.483 nan 8.190 nan 0.000 0.447 202 E N -0.397 119.742 120.200 -0.100 0.000 2.058 202 E HA -0.293 4.057 4.350 -0.000 0.000 0.194 202 E C 2.102 178.644 176.600 -0.096 0.000 0.997 202 E CA 1.885 58.235 56.400 -0.084 0.000 0.801 202 E CB -0.237 29.444 29.700 -0.033 0.000 0.746 202 E HN 0.541 nan 8.360 nan 0.000 0.450 203 F N 1.007 120.784 119.950 -0.288 0.000 2.102 203 F HA -0.151 4.376 4.527 -0.000 0.000 0.298 203 F C 1.917 177.587 175.800 -0.216 0.000 1.105 203 F CA 1.336 59.160 58.000 -0.293 0.000 1.239 203 F CB -0.211 38.446 39.000 -0.571 0.000 0.991 203 F HN 0.010 nan 8.300 nan 0.000 0.474 204 L N -0.794 120.310 121.223 -0.199 0.000 1.994 204 L HA -0.236 4.104 4.340 -0.000 0.000 0.208 204 L C 2.421 179.150 176.870 -0.234 0.000 1.071 204 L CA 1.264 55.971 54.840 -0.222 0.000 0.745 204 L CB -0.972 40.994 42.059 -0.156 0.000 0.892 204 L HN -0.030 nan 8.230 nan 0.000 0.431 205 V N 0.242 119.992 119.914 -0.275 0.000 2.282 205 V HA -0.319 3.801 4.120 -0.000 0.000 0.249 205 V C 2.267 178.235 176.094 -0.209 0.000 1.057 205 V CA 2.042 64.138 62.300 -0.339 0.000 1.032 205 V CB -0.712 30.773 31.823 -0.563 0.000 0.645 205 V HN 0.492 nan 8.190 nan 0.000 0.447 206 N N -0.127 118.443 118.700 -0.217 0.000 2.142 206 N HA -0.122 4.618 4.740 -0.000 0.000 0.186 206 N C 1.936 177.326 175.510 -0.200 0.000 1.023 206 N CA 1.865 54.810 53.050 -0.176 0.000 0.852 206 N CB -0.678 37.714 38.487 -0.158 0.000 0.998 206 N HN 0.459 nan 8.380 nan 0.000 0.424 207 T N 0.664 115.015 114.554 -0.338 0.000 2.720 207 T HA -0.173 4.177 4.350 -0.000 0.000 0.268 207 T C 1.481 176.091 174.700 -0.151 0.000 1.037 207 T CA 0.821 62.717 62.100 -0.340 0.000 1.144 207 T CB -0.207 68.341 68.868 -0.534 0.000 0.864 207 T HN 0.442 nan 8.240 nan 0.000 0.444 208 W N 1.993 123.134 121.300 -0.265 0.000 2.381 208 W HA -0.053 4.607 4.660 0.000 0.000 0.301 208 W C 1.785 178.215 176.519 -0.148 0.000 1.205 208 W CA 1.047 58.277 57.345 -0.191 0.000 1.285 208 W CB -0.168 29.176 29.460 -0.193 0.000 1.133 208 W HN 0.239 nan 8.180 nan 0.000 0.521 209 K N 0.314 120.740 120.400 0.043 0.000 2.365 209 K HA -0.114 4.206 4.320 -0.000 0.000 0.199 209 K C 2.113 178.662 176.600 -0.085 0.000 1.045 209 K CA 1.496 57.774 56.287 -0.014 0.000 0.962 209 K CB -0.176 32.321 32.500 -0.005 0.000 0.759 209 K HN 0.036 nan 8.250 nan 0.000 0.469 210 S N 0.285 115.915 115.700 -0.117 0.000 2.496 210 S HA 0.036 4.506 4.470 -0.000 0.000 0.224 210 S C 0.500 175.019 174.600 -0.135 0.000 0.996 210 S CA 0.108 58.239 58.200 -0.114 0.000 0.927 210 S CB 0.088 63.216 63.200 -0.120 0.000 0.774 210 S HN -0.053 nan 8.310 nan 0.000 0.524 211 K N 1.995 122.276 120.400 -0.199 0.000 2.174 211 K HA 0.338 4.658 4.320 -0.000 0.000 0.275 211 K C 0.534 177.018 176.600 -0.194 0.000 1.015 211 K CA -0.303 55.851 56.287 -0.221 0.000 0.933 211 K CB 1.126 33.421 32.500 -0.343 0.000 1.025 211 K HN 0.222 nan 8.250 nan 0.000 0.463 212 K N 0.997 121.311 120.400 -0.142 0.000 2.057 212 K HA -0.122 4.198 4.320 -0.000 0.000 0.206 212 K C 0.686 177.213 176.600 -0.121 0.000 1.050 212 K CA 1.148 57.371 56.287 -0.107 0.000 0.935 212 K CB 0.089 32.543 32.500 -0.077 0.000 0.715 212 K HN 0.545 nan 8.250 nan 0.000 0.439 213 N N 0.897 119.510 118.700 -0.144 0.000 2.707 213 N HA 0.170 4.910 4.740 -0.000 0.000 0.249 213 N C -2.921 172.471 175.510 -0.198 0.000 1.299 213 N CA -1.560 51.409 53.050 -0.135 0.000 0.769 213 N CB 1.311 39.752 38.487 -0.077 0.000 1.236 213 N HN -0.135 nan 8.380 nan 0.000 0.524 214 P HA 0.107 nan 4.420 nan 0.000 0.276 214 P C -0.850 176.159 177.300 -0.485 0.000 1.230 214 P CA -0.226 62.460 63.100 -0.690 0.000 0.776 214 P CB 1.237 31.998 31.700 -1.565 0.000 0.888 215 M N 2.427 121.816 119.600 -0.352 0.000 2.530 215 M HA 0.695 5.175 4.480 -0.000 0.000 0.307 215 M C -0.911 175.319 176.300 -0.116 0.000 1.161 215 M CA -0.386 54.785 55.300 -0.215 0.000 0.903 215 M CB 2.493 35.040 32.600 -0.088 0.000 1.711 215 M HN 0.566 nan 8.290 nan 0.000 0.451 216 G N 3.424 112.259 108.800 0.058 0.000 2.690 216 G HA2 0.806 4.766 3.960 -0.000 0.000 0.293 216 G HA3 0.806 4.766 3.960 -0.000 0.000 0.293 216 G C -2.044 172.939 174.900 0.139 0.000 1.399 216 G CA -0.616 44.563 45.100 0.132 0.000 0.890 216 G HN 0.806 nan 8.290 nan 0.000 0.485 217 F N -0.341 119.574 119.950 -0.058 0.000 2.665 217 F HA 0.778 5.305 4.527 -0.000 0.000 0.308 217 F C -0.160 175.620 175.800 -0.032 0.000 1.112 217 F CA -1.381 56.578 58.000 -0.067 0.000 0.972 217 F CB 1.205 40.141 39.000 -0.107 0.000 1.295 217 F HN 0.655 nan 8.300 nan 0.000 0.440 218 S N 1.270 117.045 115.700 0.125 0.000 2.646 218 S HA 0.658 5.128 4.470 -0.000 0.000 0.276 218 S C -1.500 173.304 174.600 0.341 0.000 1.222 218 S CA -0.564 57.702 58.200 0.110 0.000 1.014 218 S CB 1.695 64.933 63.200 0.064 0.000 0.991 218 S HN 0.904 nan 8.310 nan 0.000 0.533 219 Y N 1.036 121.443 120.300 0.178 0.000 2.329 219 Y HA 0.424 4.974 4.550 0.000 0.000 0.328 219 Y C -1.338 174.674 175.900 0.186 0.000 0.992 219 Y CA -0.815 57.441 58.100 0.259 0.000 1.151 219 Y CB 1.463 40.176 38.460 0.422 0.000 1.150 219 Y HN 0.878 nan 8.280 nan 0.000 0.450 220 D N 4.395 124.673 120.400 -0.204 0.000 2.373 220 D HA 0.247 4.887 4.640 -0.000 0.000 0.227 220 D C -0.762 175.408 176.300 -0.215 0.000 1.091 220 D CA -0.067 53.868 54.000 -0.110 0.000 0.840 220 D CB 1.248 42.009 40.800 -0.064 0.000 1.060 220 D HN 0.455 nan 8.370 nan 0.000 0.502 221 T N 3.659 118.254 114.554 0.069 0.000 2.884 221 T HA 0.143 4.493 4.350 -0.000 0.000 0.298 221 T C 0.470 175.265 174.700 0.158 0.000 0.998 221 T CA -0.437 61.783 62.100 0.201 0.000 1.124 221 T CB 0.600 69.814 68.868 0.576 0.000 0.931 221 T HN 0.321 nan 8.240 nan 0.000 0.531 222 R N 2.240 122.790 120.500 0.085 0.000 2.404 222 R HA 0.109 4.449 4.340 -0.000 0.000 0.315 222 R C 0.240 176.631 176.300 0.151 0.000 1.032 222 R CA -0.229 55.907 56.100 0.059 0.000 0.992 222 R CB -0.586 29.688 30.300 -0.044 0.000 0.959 222 R HN 0.915 nan 8.270 nan 0.000 0.428 223 C N 6.661 126.076 119.300 0.192 0.000 2.749 223 C HA -0.191 4.269 4.460 -0.000 0.000 0.241 223 C C 1.207 176.404 174.990 0.345 0.000 1.269 223 C CA 0.210 59.395 59.018 0.278 0.000 2.527 223 C CB -2.225 25.715 27.740 0.334 0.000 1.569 223 C HN 1.046 nan 8.230 nan 0.000 0.405 224 F N 2.098 122.166 119.950 0.197 0.000 2.102 224 F HA -0.046 4.481 4.527 -0.000 0.000 0.298 224 F C 1.830 177.746 175.800 0.193 0.000 1.105 224 F CA 2.313 60.431 58.000 0.197 0.000 1.239 224 F CB -0.102 39.002 39.000 0.174 0.000 0.991 224 F HN 0.582 nan 8.300 nan 0.000 0.474 225 D N -0.360 120.258 120.400 0.364 0.000 2.190 225 D HA -0.171 4.469 4.640 -0.000 0.000 0.200 225 D C 2.373 178.725 176.300 0.087 0.000 0.992 225 D CA 1.624 55.767 54.000 0.239 0.000 0.854 225 D CB -0.397 40.562 40.800 0.265 0.000 0.936 225 D HN 0.247 nan 8.370 nan 0.000 0.462 226 S N -0.773 115.001 115.700 0.123 0.000 2.470 226 S HA -0.067 4.403 4.470 -0.000 0.000 0.225 226 S C 1.971 176.509 174.600 -0.104 0.000 1.006 226 S CA 1.094 59.280 58.200 -0.023 0.000 0.934 226 S CB 0.010 63.224 63.200 0.023 0.000 0.778 226 S HN 0.503 nan 8.310 nan 0.000 0.517 227 T N -0.398 114.178 114.554 0.038 0.000 3.088 227 T HA 0.139 4.489 4.350 -0.000 0.000 0.259 227 T C 0.569 175.181 174.700 -0.146 0.000 1.122 227 T CA 0.038 62.154 62.100 0.026 0.000 1.095 227 T CB -0.355 68.514 68.868 0.002 0.000 0.930 227 T HN 0.014 nan 8.240 nan 0.000 0.508 228 V N 4.044 123.828 119.914 -0.217 0.000 2.470 228 V HA 0.321 4.441 4.120 -0.000 0.000 0.276 228 V C 1.146 177.176 176.094 -0.106 0.000 1.040 228 V CA -0.369 61.828 62.300 -0.172 0.000 1.008 228 V CB 0.233 31.984 31.823 -0.120 0.000 0.990 228 V HN 0.710 nan 8.190 nan 0.000 0.477 229 T N 1.202 115.712 114.554 -0.073 0.000 2.847 229 T HA 0.326 4.676 4.350 -0.000 0.000 0.279 229 T C 0.965 175.641 174.700 -0.039 0.000 0.984 229 T CA -0.593 61.470 62.100 -0.062 0.000 0.988 229 T CB 1.276 70.115 68.868 -0.047 0.000 1.040 229 T HN 0.654 nan 8.240 nan 0.000 0.528 230 E N 0.450 120.628 120.200 -0.037 0.000 2.110 230 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 230 E C 2.064 178.663 176.600 -0.001 0.000 0.988 230 E CA 0.753 57.145 56.400 -0.014 0.000 0.804 230 E CB -0.119 29.572 29.700 -0.016 0.000 0.745 230 E HN 0.517 nan 8.360 nan 0.000 0.458 231 N N 1.182 119.876 118.700 -0.010 0.000 2.120 231 N HA -0.156 4.584 4.740 -0.000 0.000 0.188 231 N C 1.366 176.885 175.510 0.014 0.000 1.024 231 N CA 1.138 54.187 53.050 -0.002 0.000 0.852 231 N CB -0.226 38.251 38.487 -0.017 0.000 1.003 231 N HN 0.141 nan 8.380 nan 0.000 0.424 232 D N 0.751 121.158 120.400 0.012 0.000 2.133 232 D HA -0.113 4.527 4.640 -0.000 0.000 0.195 232 D C 2.020 178.334 176.300 0.023 0.000 0.997 232 D CA 0.729 54.749 54.000 0.034 0.000 0.840 232 D CB -0.215 40.597 40.800 0.021 0.000 0.947 232 D HN 0.363 nan 8.370 nan 0.000 0.452 233 I N 0.386 120.969 120.570 0.022 0.000 2.546 233 I HA -0.127 4.043 4.170 -0.000 0.000 0.255 233 I C 2.400 178.538 176.117 0.035 0.000 1.163 233 I CA 0.550 61.872 61.300 0.037 0.000 1.457 233 I CB -0.019 38.021 38.000 0.066 0.000 1.092 233 I HN -0.094 nan 8.210 nan 0.000 0.434 234 R N 0.194 120.709 120.500 0.025 0.000 2.115 234 R HA -0.049 4.291 4.340 -0.000 0.000 0.226 234 R C 2.321 178.610 176.300 -0.018 0.000 1.100 234 R CA 0.908 57.018 56.100 0.017 0.000 0.980 234 R CB -0.287 30.024 30.300 0.018 0.000 0.875 234 R HN 0.215 nan 8.270 nan 0.000 0.445 235 V N 1.641 121.545 119.914 -0.017 0.000 2.343 235 V HA -0.245 3.875 4.120 -0.000 0.000 0.247 235 V C 1.956 177.969 176.094 -0.136 0.000 1.051 235 V CA 1.870 64.148 62.300 -0.036 0.000 1.036 235 V CB -0.445 31.394 31.823 0.028 0.000 0.654 235 V HN 0.355 nan 8.190 nan 0.000 0.451 236 E N -0.262 119.825 120.200 -0.188 0.000 2.077 236 E HA -0.253 4.097 4.350 -0.000 0.000 0.193 236 E C 2.329 178.452 176.600 -0.796 0.000 0.989 236 E CA 1.283 57.408 56.400 -0.457 0.000 0.800 236 E CB -0.193 29.285 29.700 -0.369 0.000 0.746 236 E HN 0.605 nan 8.360 nan 0.000 0.452 237 E N 0.730 120.704 120.200 -0.377 0.000 2.058 237 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 237 E C 2.216 178.752 176.600 -0.107 0.000 0.997 237 E CA 1.631 57.950 56.400 -0.135 0.000 0.801 237 E CB -0.007 29.738 29.700 0.075 0.000 0.746 237 E HN 0.247 nan 8.360 nan 0.000 0.450 238 S N 0.319 115.957 115.700 -0.104 0.000 2.399 238 S HA -0.133 4.337 4.470 -0.000 0.000 0.231 238 S C 2.112 176.666 174.600 -0.076 0.000 1.022 238 S CA 0.967 59.133 58.200 -0.056 0.000 0.983 238 S CB -0.541 62.633 63.200 -0.043 0.000 0.803 238 S HN 0.283 nan 8.310 nan 0.000 0.480 239 I N 0.128 120.594 120.570 -0.173 0.000 2.252 239 I HA -0.132 4.038 4.170 -0.000 0.000 0.245 239 I C 2.309 178.404 176.117 -0.036 0.000 1.102 239 I CA 1.288 62.502 61.300 -0.144 0.000 1.385 239 I CB -0.536 37.333 38.000 -0.219 0.000 1.064 239 I HN 0.224 nan 8.210 nan 0.000 0.414 240 Y N 1.133 121.433 120.300 -0.000 0.000 2.165 240 Y HA -0.243 4.307 4.550 -0.000 0.000 0.286 240 Y C 2.660 178.566 175.900 0.010 0.000 1.155 240 Y CA 0.782 58.885 58.100 0.005 0.000 1.164 240 Y CB -1.072 37.405 38.460 0.029 0.000 0.978 240 Y HN 0.253 nan 8.280 nan 0.000 0.513 241 Q N -1.349 118.546 119.800 0.157 0.000 2.436 241 Q HA -0.104 4.236 4.340 -0.000 0.000 0.209 241 Q C 2.296 178.331 176.000 0.058 0.000 0.965 241 Q CA 0.834 56.695 55.803 0.097 0.000 0.910 241 Q CB -0.715 28.064 28.738 0.068 0.000 0.980 241 Q HN 0.512 nan 8.270 nan 0.000 0.491 242 C N 0.267 119.593 119.300 0.045 0.000 2.432 242 C HA -0.034 4.426 4.460 -0.000 0.000 0.282 242 C C 1.549 176.556 174.990 0.028 0.000 1.388 242 C CA -0.658 58.374 59.018 0.024 0.000 1.777 242 C CB -0.720 27.024 27.740 0.007 0.000 1.882 242 C HN 0.410 nan 8.230 nan 0.000 0.520 243 C N 1.902 121.229 119.300 0.045 0.000 2.703 243 C HA 0.093 4.553 4.460 -0.000 0.000 0.411 243 C C 0.568 175.577 174.990 0.031 0.000 1.290 243 C CA -0.191 58.849 59.018 0.036 0.000 2.054 243 C CB -0.359 27.409 27.740 0.046 0.000 2.732 243 C HN 0.505 nan 8.230 nan 0.000 0.650 244 D N 2.222 122.635 120.400 0.022 0.000 2.349 244 D HA 0.349 4.989 4.640 -0.000 0.000 0.266 244 D C -0.529 175.788 176.300 0.028 0.000 1.293 244 D CA 0.562 54.575 54.000 0.021 0.000 0.926 244 D CB -0.032 40.777 40.800 0.015 0.000 1.090 244 D HN 0.356 nan 8.370 nan 0.000 0.502 245 L N 2.261 123.505 121.223 0.035 0.000 2.354 245 L HA 0.670 5.010 4.340 -0.000 0.000 0.264 245 L C 0.369 177.266 176.870 0.045 0.000 1.008 245 L CA -1.522 53.345 54.840 0.044 0.000 0.819 245 L CB 1.854 43.946 42.059 0.055 0.000 1.339 245 L HN 0.328 nan 8.230 nan 0.000 0.420 246 A N 2.218 125.071 122.820 0.054 0.000 2.445 246 A HA 0.371 4.691 4.320 -0.000 0.000 0.242 246 A C -1.844 175.778 177.584 0.063 0.000 1.075 246 A CA -0.912 51.160 52.037 0.057 0.000 0.777 246 A CB -0.043 18.998 19.000 0.069 0.000 1.013 246 A HN 0.617 nan 8.150 nan 0.000 0.493 247 P HA -0.149 nan 4.420 nan 0.000 0.216 247 P C 1.177 178.506 177.300 0.050 0.000 1.150 247 P CA 1.361 64.487 63.100 0.042 0.000 0.837 247 P CB 0.204 31.923 31.700 0.032 0.000 0.786 248 E N -0.547 119.706 120.200 0.088 0.000 2.077 248 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 248 E C 2.067 178.745 176.600 0.130 0.000 0.989 248 E CA 1.261 57.738 56.400 0.128 0.000 0.800 248 E CB -0.491 29.370 29.700 0.269 0.000 0.746 248 E HN 0.124 nan 8.360 nan 0.000 0.452 249 A N 1.664 124.589 122.820 0.176 0.000 1.883 249 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 249 A C 2.093 179.724 177.584 0.079 0.000 1.186 249 A CA 1.468 53.608 52.037 0.172 0.000 0.624 249 A CB -0.495 18.595 19.000 0.150 0.000 0.822 249 A HN 0.119 nan 8.150 nan 0.000 0.444 250 R N -1.161 119.374 120.500 0.058 0.000 2.091 250 R HA -0.199 4.141 4.340 -0.000 0.000 0.238 250 R C 2.499 178.800 176.300 0.002 0.000 1.136 250 R CA 1.736 57.859 56.100 0.039 0.000 0.959 250 R CB -0.298 30.022 30.300 0.034 0.000 0.856 250 R HN 0.664 nan 8.270 nan 0.000 0.437 251 Q N 0.681 120.462 119.800 -0.031 0.000 2.079 251 Q HA -0.048 4.292 4.340 -0.000 0.000 0.200 251 Q C 1.920 177.826 176.000 -0.157 0.000 0.974 251 Q CA 1.873 57.624 55.803 -0.085 0.000 0.840 251 Q CB -0.159 28.518 28.738 -0.101 0.000 0.898 251 Q HN 0.327 nan 8.270 nan 0.000 0.430 252 A N 0.095 122.778 122.820 -0.228 0.000 1.930 252 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 252 A C 2.108 179.595 177.584 -0.161 0.000 1.175 252 A CA 1.322 53.144 52.037 -0.360 0.000 0.627 252 A CB -0.644 17.981 19.000 -0.625 0.000 0.815 252 A HN 0.471 nan 8.150 nan 0.000 0.443 253 I N -0.436 120.110 120.570 -0.040 0.000 2.252 253 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 253 I C 2.529 178.672 176.117 0.042 0.000 1.102 253 I CA 1.763 63.092 61.300 0.048 0.000 1.385 253 I CB -0.214 37.851 38.000 0.108 0.000 1.064 253 I HN 0.384 nan 8.210 nan 0.000 0.414 254 K N 0.489 120.894 120.400 0.008 0.000 2.057 254 K HA -0.219 4.100 4.320 -0.000 0.000 0.207 254 K C 2.327 178.901 176.600 -0.043 0.000 1.049 254 K CA 1.888 58.176 56.287 0.001 0.000 0.931 254 K CB -0.080 32.412 32.500 -0.013 0.000 0.714 254 K HN 0.144 nan 8.250 nan 0.000 0.440 255 S N 0.590 116.232 115.700 -0.097 0.000 2.357 255 S HA -0.023 4.447 4.470 -0.000 0.000 0.221 255 S C 1.978 176.477 174.600 -0.168 0.000 1.031 255 S CA 0.749 58.871 58.200 -0.131 0.000 0.982 255 S CB -0.215 62.878 63.200 -0.177 0.000 0.853 255 S HN 0.350 nan 8.310 nan 0.000 0.458 256 L N 0.919 122.010 121.223 -0.221 0.000 2.079 256 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 256 L C 2.751 179.297 176.870 -0.539 0.000 1.081 256 L CA 1.607 56.198 54.840 -0.415 0.000 0.752 256 L CB -1.138 40.649 42.059 -0.453 0.000 0.896 256 L HN 0.350 nan 8.230 nan 0.000 0.433 257 T N -0.949 113.477 114.554 -0.213 0.000 2.708 257 T HA -0.159 4.191 4.350 -0.000 0.000 0.266 257 T C 1.787 176.484 174.700 -0.005 0.000 1.037 257 T CA 1.265 63.382 62.100 0.028 0.000 1.146 257 T CB -0.082 68.884 68.868 0.164 0.000 0.865 257 T HN 0.291 nan 8.240 nan 0.000 0.435 258 E N 0.764 120.942 120.200 -0.037 0.000 2.216 258 E HA 0.055 4.405 4.350 -0.000 0.000 0.192 258 E C 2.309 178.887 176.600 -0.036 0.000 0.988 258 E CA 0.685 57.072 56.400 -0.020 0.000 0.834 258 E CB -0.049 29.637 29.700 -0.023 0.000 0.772 258 E HN 0.445 nan 8.360 nan 0.000 0.479 259 R N -0.482 119.966 120.500 -0.086 0.000 2.237 259 R HA 0.121 4.461 4.340 -0.000 0.000 0.195 259 R C 1.798 178.040 176.300 -0.097 0.000 0.956 259 R CA 0.297 56.349 56.100 -0.081 0.000 1.029 259 R CB 0.321 30.564 30.300 -0.097 0.000 0.972 259 R HN 0.035 nan 8.270 nan 0.000 0.493 260 L N -2.184 118.943 121.223 -0.160 0.000 2.664 260 L HA 0.198 4.538 4.340 -0.000 0.000 0.198 260 L C 1.258 178.135 176.870 0.012 0.000 1.057 260 L CA 0.807 55.564 54.840 -0.139 0.000 0.871 260 L CB -0.238 41.661 42.059 -0.267 0.000 1.364 260 L HN -0.134 nan 8.230 nan 0.000 0.483 261 Y N 1.458 121.775 120.300 0.028 0.000 2.220 261 Y HA -0.001 4.549 4.550 -0.000 0.000 0.291 261 Y C 2.541 178.452 175.900 0.017 0.000 1.129 261 Y CA 1.407 59.532 58.100 0.042 0.000 1.161 261 Y CB -1.095 37.413 38.460 0.078 0.000 0.997 261 Y HN 0.366 nan 8.280 nan 0.000 0.522 262 I N -2.235 118.432 120.570 0.162 0.000 2.756 262 I HA 0.293 4.463 4.170 -0.000 0.000 0.262 262 I C 1.044 177.179 176.117 0.030 0.000 1.225 262 I CA 1.094 62.443 61.300 0.081 0.000 1.472 262 I CB -0.477 37.559 38.000 0.060 0.000 1.094 262 I HN 0.136 nan 8.210 nan 0.000 0.454 263 G N -0.483 108.322 108.800 0.008 0.000 2.369 263 G HA2 0.451 4.411 3.960 -0.000 0.000 0.293 263 G HA3 0.451 4.411 3.960 -0.000 0.000 0.293 263 G C -0.757 174.020 174.900 -0.204 0.000 1.301 263 G CA -0.362 44.685 45.100 -0.089 0.000 0.913 263 G HN 0.826 nan 8.290 nan 0.000 0.540 264 G N -1.039 107.391 108.800 -0.616 0.000 2.313 264 G HA2 0.741 4.701 3.960 -0.000 0.000 0.296 264 G HA3 0.741 4.701 3.960 -0.000 0.000 0.296 264 G C -3.458 170.733 174.900 -1.180 0.000 1.356 264 G CA 0.192 44.804 45.100 -0.813 0.000 0.833 264 G HN 0.859 nan 8.290 nan 0.000 0.552 265 P HA 0.425 nan 4.420 nan 0.000 0.271 265 P C -0.514 176.666 177.300 -0.199 0.000 1.216 265 P CA -0.086 62.823 63.100 -0.317 0.000 0.776 265 P CB 1.122 32.790 31.700 -0.054 0.000 0.881 266 L N 2.677 123.839 121.223 -0.102 0.000 2.296 266 L HA 0.443 4.783 4.340 -0.000 0.000 0.286 266 L C 0.487 177.360 176.870 0.004 0.000 1.023 266 L CA -0.219 54.601 54.840 -0.034 0.000 0.812 266 L CB 1.503 43.587 42.059 0.041 0.000 1.223 266 L HN 0.273 nan 8.230 nan 0.000 0.421 267 T N 1.614 116.151 114.554 -0.029 0.000 2.807 267 T HA 0.321 4.671 4.350 -0.000 0.000 0.279 267 T C -0.151 174.532 174.700 -0.029 0.000 0.993 267 T CA -0.846 61.240 62.100 -0.023 0.000 0.970 267 T CB 1.399 70.237 68.868 -0.050 0.000 0.950 267 T HN 0.642 nan 8.240 nan 0.000 0.441 268 N N 0.913 119.613 118.700 0.001 0.000 2.364 268 N HA 0.161 4.901 4.740 -0.000 0.000 0.264 268 N C 1.537 177.039 175.510 -0.013 0.000 1.263 268 N CA -0.480 52.571 53.050 0.003 0.000 0.959 268 N CB 0.059 38.558 38.487 0.020 0.000 1.204 268 N HN 0.367 nan 8.380 nan 0.000 0.550 269 S N -0.932 114.769 115.700 0.001 0.000 2.419 269 S HA -0.123 4.347 4.470 -0.000 0.000 0.235 269 S C 0.993 175.589 174.600 -0.006 0.000 1.019 269 S CA 1.161 59.363 58.200 0.004 0.000 0.982 269 S CB -0.323 62.889 63.200 0.021 0.000 0.789 269 S HN 0.600 nan 8.310 nan 0.000 0.490 270 K N -0.396 120.001 120.400 -0.005 0.000 2.374 270 K HA 0.269 4.589 4.320 -0.000 0.000 0.196 270 K C 1.134 177.726 176.600 -0.014 0.000 1.023 270 K CA 0.461 56.743 56.287 -0.008 0.000 1.103 270 K CB 0.247 32.746 32.500 -0.001 0.000 0.848 270 K HN 0.440 nan 8.250 nan 0.000 0.528 271 G N 1.853 110.642 108.800 -0.019 0.000 2.141 271 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.242 271 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.242 271 G C -0.297 174.598 174.900 -0.008 0.000 0.982 271 G CA -0.191 44.894 45.100 -0.024 0.000 0.662 271 G HN 0.331 nan 8.290 nan 0.000 0.527 272 Q N 0.218 120.020 119.800 0.003 0.000 2.299 272 Q HA 0.347 4.687 4.340 -0.000 0.000 0.246 272 Q C 0.462 176.480 176.000 0.030 0.000 0.935 272 Q CA -0.490 55.324 55.803 0.018 0.000 0.887 272 Q CB 0.861 29.613 28.738 0.024 0.000 1.223 272 Q HN 0.370 nan 8.270 nan 0.000 0.439 273 N N 1.571 120.296 118.700 0.041 0.000 2.420 273 N HA 0.011 4.751 4.740 -0.000 0.000 0.262 273 N C -0.407 175.160 175.510 0.095 0.000 1.144 273 N CA -0.313 52.772 53.050 0.059 0.000 0.952 273 N CB 0.575 39.098 38.487 0.060 0.000 1.081 273 N HN 0.628 nan 8.380 nan 0.000 0.480 274 C N 2.920 122.297 119.300 0.128 0.000 2.799 274 C HA 0.409 4.869 4.460 -0.000 0.000 0.267 274 C C 1.208 176.393 174.990 0.324 0.000 1.257 274 C CA 0.353 59.508 59.018 0.228 0.000 1.702 274 C CB -1.173 26.725 27.740 0.264 0.000 1.934 274 C HN 0.954 nan 8.230 nan 0.000 0.594 275 G N -0.928 107.976 108.800 0.173 0.000 2.278 275 G HA2 0.209 4.169 3.960 -0.000 0.000 0.265 275 G HA3 0.209 4.169 3.960 -0.000 0.000 0.265 275 G C -1.952 172.968 174.900 0.034 0.000 1.329 275 G CA -0.537 44.613 45.100 0.083 0.000 1.017 275 G HN 0.084 nan 8.290 nan 0.000 0.472 276 Y N 0.590 120.769 120.300 -0.201 0.000 2.457 276 Y HA 0.757 5.307 4.550 -0.000 0.000 0.343 276 Y C 0.062 175.824 175.900 -0.229 0.000 0.994 276 Y CA -0.884 57.119 58.100 -0.161 0.000 1.031 276 Y CB 1.934 40.316 38.460 -0.130 0.000 1.246 276 Y HN 0.734 nan 8.280 nan 0.000 0.449 277 R N 4.788 125.073 120.500 -0.359 0.000 2.460 277 R HA 0.563 4.903 4.340 -0.000 0.000 0.303 277 R C -0.841 175.305 176.300 -0.256 0.000 0.968 277 R CA -0.626 55.248 56.100 -0.375 0.000 0.889 277 R CB 0.962 31.100 30.300 -0.271 0.000 1.123 277 R HN 0.913 nan 8.270 nan 0.000 0.455 278 R N 3.404 123.704 120.500 -0.333 0.000 2.698 278 R HA 0.225 4.565 4.340 -0.000 0.000 0.422 278 R C -0.739 175.414 176.300 -0.244 0.000 1.073 278 R CA -0.345 55.646 56.100 -0.182 0.000 1.054 278 R CB 0.431 30.668 30.300 -0.105 0.000 1.373 278 R HN 0.798 nan 8.270 nan 0.000 0.593 279 C N -2.161 116.956 119.300 -0.305 0.000 3.321 279 C HA 0.611 5.071 4.460 -0.000 0.000 0.363 279 C C -0.240 174.685 174.990 -0.109 0.000 1.705 279 C CA -1.512 57.370 59.018 -0.226 0.000 1.298 279 C CB 1.109 28.654 27.740 -0.326 0.000 2.086 279 C HN 0.401 nan 8.230 nan 0.000 0.438 280 R N 1.205 121.685 120.500 -0.033 0.000 2.585 280 R HA 0.466 4.806 4.340 -0.000 0.000 0.275 280 R C 0.012 176.365 176.300 0.089 0.000 1.018 280 R CA 1.064 57.196 56.100 0.052 0.000 1.072 280 R CB -0.107 30.258 30.300 0.109 0.000 0.953 280 R HN 1.224 nan 8.270 nan 0.000 0.419 281 A N 3.280 126.168 122.820 0.113 0.000 2.309 281 A HA 0.291 4.611 4.320 -0.000 0.000 0.298 281 A C 0.869 178.552 177.584 0.165 0.000 1.165 281 A CA -0.052 52.076 52.037 0.153 0.000 0.821 281 A CB 0.769 19.867 19.000 0.164 0.000 1.102 281 A HN 0.999 nan 8.150 nan 0.000 0.500 282 S N 1.902 117.715 115.700 0.188 0.000 2.461 282 S HA 0.073 4.543 4.470 -0.000 0.000 0.228 282 S C 1.099 175.797 174.600 0.164 0.000 1.005 282 S CA 0.763 59.068 58.200 0.176 0.000 0.942 282 S CB 0.048 63.358 63.200 0.184 0.000 0.776 282 S HN 1.251 nan 8.310 nan 0.000 0.514 283 G N 2.044 110.964 108.800 0.200 0.000 4.486 283 G HA2 0.532 4.492 3.960 -0.000 0.000 0.306 283 G HA3 0.532 4.492 3.960 -0.000 0.000 0.306 283 G C -0.147 174.882 174.900 0.216 0.000 1.331 283 G CA -0.111 45.112 45.100 0.205 0.000 1.113 283 G HN 0.567 nan 8.290 nan 0.000 0.594 284 V N -2.529 117.493 119.914 0.179 0.000 3.126 284 V HA 0.599 4.719 4.120 -0.000 0.000 0.314 284 V C 1.226 177.398 176.094 0.129 0.000 1.138 284 V CA -0.953 61.465 62.300 0.198 0.000 1.034 284 V CB 1.639 33.635 31.823 0.289 0.000 1.075 284 V HN 0.057 nan 8.190 nan 0.000 0.442 285 L N 1.859 123.172 121.223 0.150 0.000 2.141 285 L HA 0.020 4.360 4.340 -0.000 0.000 0.209 285 L C 2.213 179.106 176.870 0.039 0.000 1.094 285 L CA 3.002 57.916 54.840 0.123 0.000 0.763 285 L CB -0.748 41.412 42.059 0.168 0.000 0.908 285 L HN 1.086 nan 8.230 nan 0.000 0.437 286 T N -5.874 108.621 114.554 -0.099 0.000 3.129 286 T HA 0.015 4.365 4.350 -0.000 0.000 0.251 286 T C 1.554 176.205 174.700 -0.081 0.000 1.117 286 T CA 0.674 62.674 62.100 -0.166 0.000 1.034 286 T CB -0.689 67.941 68.868 -0.396 0.000 0.968 286 T HN 0.238 nan 8.240 nan 0.000 0.526 287 T N 2.050 116.586 114.554 -0.031 0.000 2.652 287 T HA -0.167 4.183 4.350 -0.000 0.000 0.267 287 T C 2.212 176.948 174.700 0.060 0.000 1.039 287 T CA 1.834 63.955 62.100 0.035 0.000 1.153 287 T CB -0.641 68.270 68.868 0.072 0.000 0.863 287 T HN 0.559 nan 8.240 nan 0.000 0.428 288 S N -0.213 115.501 115.700 0.023 0.000 2.345 288 S HA -0.152 4.318 4.470 -0.000 0.000 0.220 288 S C 2.457 177.101 174.600 0.073 0.000 1.031 288 S CA 1.481 59.685 58.200 0.007 0.000 0.996 288 S CB -0.975 62.118 63.200 -0.179 0.000 0.882 288 S HN 0.670 nan 8.310 nan 0.000 0.445 289 C N 1.299 120.622 119.300 0.037 0.000 2.429 289 C HA 0.120 4.580 4.460 -0.000 0.000 0.277 289 C C 2.839 177.907 174.990 0.130 0.000 1.262 289 C CA 1.092 60.157 59.018 0.078 0.000 1.733 289 C CB -1.826 25.927 27.740 0.021 0.000 2.010 289 C HN 0.722 nan 8.230 nan 0.000 0.483 290 G N 0.430 109.309 108.800 0.132 0.000 2.421 290 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.216 290 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.216 290 G C 1.523 176.528 174.900 0.176 0.000 1.171 290 G CA 1.026 46.212 45.100 0.143 0.000 0.775 290 G HN 0.589 nan 8.290 nan 0.000 0.543 291 N N 0.288 119.109 118.700 0.202 0.000 2.244 291 N HA -0.058 4.682 4.740 -0.000 0.000 0.183 291 N C 2.360 177.972 175.510 0.171 0.000 1.016 291 N CA 1.470 54.688 53.050 0.279 0.000 0.866 291 N CB -0.506 38.099 38.487 0.197 0.000 0.980 291 N HN 0.244 nan 8.380 nan 0.000 0.430 292 T N 1.592 116.239 114.554 0.156 0.000 2.770 292 T HA 0.070 4.420 4.350 -0.000 0.000 0.263 292 T C 2.145 176.945 174.700 0.166 0.000 1.039 292 T CA 0.447 62.643 62.100 0.160 0.000 1.142 292 T CB -0.222 68.805 68.868 0.266 0.000 0.868 292 T HN 0.102 nan 8.240 nan 0.000 0.435 293 L N 0.782 122.082 121.223 0.129 0.000 2.012 293 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 293 L C 2.890 179.861 176.870 0.167 0.000 1.073 293 L CA 1.362 56.258 54.840 0.094 0.000 0.748 293 L CB -1.006 41.070 42.059 0.028 0.000 0.891 293 L HN 0.300 nan 8.230 nan 0.000 0.431 294 T N -1.613 113.058 114.554 0.196 0.000 2.857 294 T HA -0.196 4.154 4.350 -0.000 0.000 0.266 294 T C 1.967 176.862 174.700 0.326 0.000 1.048 294 T CA 1.270 63.514 62.100 0.240 0.000 1.139 294 T CB -0.354 68.678 68.868 0.273 0.000 0.874 294 T HN 0.468 nan 8.240 nan 0.000 0.455 295 C N 0.678 120.199 119.300 0.368 0.000 2.446 295 C HA -0.044 4.416 4.460 -0.000 0.000 0.277 295 C C 2.375 177.515 174.990 0.249 0.000 1.275 295 C CA 0.331 59.547 59.018 0.329 0.000 1.727 295 C CB -1.359 26.440 27.740 0.098 0.000 2.010 295 C HN 0.661 nan 8.230 nan 0.000 0.486 296 Y N 1.091 121.449 120.300 0.098 0.000 2.200 296 Y HA -0.081 4.469 4.550 -0.000 0.000 0.290 296 Y C 2.148 178.067 175.900 0.032 0.000 1.137 296 Y CA 2.029 60.167 58.100 0.062 0.000 1.163 296 Y CB -0.564 37.922 38.460 0.044 0.000 0.988 296 Y HN 0.324 nan 8.280 nan 0.000 0.518 297 L N 1.096 122.406 121.223 0.146 0.000 2.017 297 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 297 L C 2.042 178.830 176.870 -0.138 0.000 1.073 297 L CA 1.974 56.779 54.840 -0.058 0.000 0.745 297 L CB -0.840 41.164 42.059 -0.091 0.000 0.894 297 L HN 0.147 nan 8.230 nan 0.000 0.432 298 K N -0.486 119.911 120.400 -0.006 0.000 2.057 298 K HA -0.003 4.317 4.320 -0.000 0.000 0.206 298 K C 2.067 178.677 176.600 0.016 0.000 1.050 298 K CA 1.201 57.490 56.287 0.003 0.000 0.935 298 K CB -0.344 32.257 32.500 0.167 0.000 0.715 298 K HN 0.478 nan 8.250 nan 0.000 0.439 299 A N 1.010 123.837 122.820 0.010 0.000 1.929 299 A HA -0.088 4.232 4.320 -0.000 0.000 0.216 299 A C 2.179 179.767 177.584 0.008 0.000 1.176 299 A CA 1.438 53.491 52.037 0.027 0.000 0.628 299 A CB -0.366 18.723 19.000 0.148 0.000 0.816 299 A HN 0.130 nan 8.150 nan 0.000 0.444 300 S N 0.053 115.647 115.700 -0.176 0.000 2.368 300 S HA -0.061 4.409 4.470 -0.000 0.000 0.225 300 S C 2.293 176.827 174.600 -0.109 0.000 1.030 300 S CA 1.245 59.303 58.200 -0.237 0.000 0.999 300 S CB -0.411 62.487 63.200 -0.503 0.000 0.844 300 S HN 0.780 nan 8.310 nan 0.000 0.459 301 A N 1.394 124.160 122.820 -0.089 0.000 1.930 301 A HA 0.217 4.537 4.320 -0.000 0.000 0.217 301 A C 2.329 179.965 177.584 0.087 0.000 1.175 301 A CA 1.520 53.562 52.037 0.010 0.000 0.627 301 A CB -0.969 18.019 19.000 -0.020 0.000 0.815 301 A HN 0.498 nan 8.150 nan 0.000 0.443 302 A N -0.891 121.988 122.820 0.098 0.000 1.933 302 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 302 A C 2.259 179.853 177.584 0.015 0.000 1.175 302 A CA 1.630 53.611 52.037 -0.093 0.000 0.628 302 A CB -1.305 17.282 19.000 -0.690 0.000 0.814 302 A HN 0.585 nan 8.150 nan 0.000 0.444 303 C N -0.864 118.550 119.300 0.190 0.000 2.413 303 C HA -0.108 4.352 4.460 -0.000 0.000 0.277 303 C C 2.895 177.905 174.990 0.034 0.000 1.265 303 C CA 1.193 60.362 59.018 0.251 0.000 1.752 303 C CB -1.331 26.513 27.740 0.172 0.000 1.998 303 C HN 0.589 nan 8.230 nan 0.000 0.489 304 R N 0.802 121.228 120.500 -0.123 0.000 2.073 304 R HA -0.026 4.314 4.340 -0.000 0.000 0.229 304 R C 2.453 178.449 176.300 -0.508 0.000 1.120 304 R CA 1.398 57.283 56.100 -0.359 0.000 0.967 304 R CB -0.527 29.440 30.300 -0.555 0.000 0.862 304 R HN 0.513 nan 8.270 nan 0.000 0.436 305 A N 1.346 123.916 122.820 -0.418 0.000 1.940 305 A HA -0.107 4.213 4.320 -0.000 0.000 0.219 305 A C 2.198 179.769 177.584 -0.023 0.000 1.176 305 A CA 1.807 53.779 52.037 -0.109 0.000 0.631 305 A CB -0.414 18.615 19.000 0.048 0.000 0.814 305 A HN 0.390 nan 8.150 nan 0.000 0.446 306 A N -1.582 121.241 122.820 0.004 0.000 2.218 306 A HA 0.284 4.604 4.320 -0.000 0.000 0.209 306 A C 0.990 178.594 177.584 0.033 0.000 1.168 306 A CA 0.712 52.782 52.037 0.055 0.000 0.804 306 A CB -0.341 18.754 19.000 0.158 0.000 0.834 306 A HN 0.472 nan 8.150 nan 0.000 0.482 307 K N -1.176 119.223 120.400 -0.002 0.000 3.071 307 K HA -0.161 4.159 4.320 -0.000 0.000 0.265 307 K C -0.976 175.631 176.600 0.012 0.000 1.060 307 K CA 0.209 56.494 56.287 -0.004 0.000 0.767 307 K CB -1.852 30.654 32.500 0.008 0.000 1.241 307 K HN 0.325 nan 8.250 nan 0.000 0.486 308 L N 1.864 123.106 121.223 0.030 0.000 2.499 308 L HA -0.016 4.324 4.340 -0.000 0.000 0.273 308 L C 0.992 177.868 176.870 0.010 0.000 1.195 308 L CA 1.068 55.927 54.840 0.032 0.000 0.882 308 L CB 0.454 42.552 42.059 0.066 0.000 1.133 308 L HN 0.075 nan 8.230 nan 0.000 0.483 309 Q N 2.914 122.714 119.800 -0.000 0.000 2.274 309 Q HA 0.147 4.487 4.340 -0.000 0.000 0.256 309 Q C 0.006 175.992 176.000 -0.024 0.000 0.927 309 Q CA -0.329 55.467 55.803 -0.012 0.000 0.939 309 Q CB 0.971 29.700 28.738 -0.015 0.000 1.201 309 Q HN 0.539 nan 8.270 nan 0.000 0.426 310 D N 0.939 121.325 120.400 -0.023 0.000 2.716 310 D HA -0.167 4.473 4.640 -0.000 0.000 0.239 310 D C -1.092 175.184 176.300 -0.041 0.000 1.125 310 D CA 0.177 54.157 54.000 -0.033 0.000 0.681 310 D CB -1.049 39.721 40.800 -0.050 0.000 1.070 310 D HN 0.560 nan 8.370 nan 0.000 0.432 311 C N 0.679 119.964 119.300 -0.025 0.000 2.632 311 C HA 0.499 4.959 4.460 -0.000 0.000 0.415 311 C C 0.888 175.867 174.990 -0.017 0.000 1.332 311 C CA 0.169 59.170 59.018 -0.027 0.000 1.874 311 C CB 0.331 28.065 27.740 -0.010 0.000 2.596 311 C HN 0.425 nan 8.230 nan 0.000 0.590 312 T N 6.164 120.698 114.554 -0.032 0.000 2.824 312 T HA 0.534 4.884 4.350 -0.000 0.000 0.282 312 T C -0.425 174.290 174.700 0.026 0.000 0.993 312 T CA -0.276 61.835 62.100 0.018 0.000 0.967 312 T CB 1.141 69.993 68.868 -0.026 0.000 0.960 312 T HN 0.553 nan 8.240 nan 0.000 0.441 313 M N 2.916 122.581 119.600 0.109 0.000 2.598 313 M HA 0.644 5.124 4.480 -0.000 0.000 0.317 313 M C -1.408 175.000 176.300 0.180 0.000 1.179 313 M CA -1.090 54.266 55.300 0.093 0.000 0.936 313 M CB 2.098 34.749 32.600 0.085 0.000 1.713 313 M HN 0.302 nan 8.290 nan 0.000 0.460 314 L N 2.674 123.959 121.223 0.103 0.000 2.406 314 L HA 0.699 5.039 4.340 -0.000 0.000 0.272 314 L C -1.527 175.342 176.870 -0.002 0.000 0.980 314 L CA -0.496 54.389 54.840 0.076 0.000 0.831 314 L CB 1.971 44.076 42.059 0.077 0.000 1.253 314 L HN 0.478 nan 8.230 nan 0.000 0.406 315 V N 4.313 124.204 119.914 -0.039 0.000 2.483 315 V HA 0.569 4.689 4.120 -0.000 0.000 0.297 315 V C -0.893 175.032 176.094 -0.282 0.000 1.027 315 V CA -0.660 61.600 62.300 -0.066 0.000 0.855 315 V CB 1.940 33.819 31.823 0.093 0.000 0.995 315 V HN 0.788 nan 8.190 nan 0.000 0.424 316 N N 3.767 122.257 118.700 -0.350 0.000 2.573 316 N HA 0.639 5.379 4.740 -0.000 0.000 0.262 316 N C 0.629 176.021 175.510 -0.197 0.000 1.029 316 N CA 0.502 53.157 53.050 -0.658 0.000 0.882 316 N CB 1.799 39.770 38.487 -0.860 0.000 1.204 316 N HN 1.002 nan 8.380 nan 0.000 0.519 317 G N 2.563 111.387 108.800 0.039 0.000 2.629 317 G HA2 -0.414 3.546 3.960 -0.000 0.000 0.313 317 G HA3 -0.414 3.546 3.960 -0.000 0.000 0.313 317 G C 0.556 175.322 174.900 -0.224 0.000 1.217 317 G CA 0.873 45.991 45.100 0.030 0.000 0.994 317 G HN 0.648 nan 8.290 nan 0.000 0.549 318 D N 1.213 121.391 120.400 -0.371 0.000 2.340 318 D HA 0.095 4.735 4.640 -0.000 0.000 0.220 318 D C 0.355 176.498 176.300 -0.261 0.000 1.039 318 D CA 0.726 54.298 54.000 -0.713 0.000 0.866 318 D CB -0.113 40.251 40.800 -0.727 0.000 0.913 318 D HN 0.419 nan 8.370 nan 0.000 0.523 319 D N 0.665 120.983 120.400 -0.137 0.000 2.280 319 D HA 0.281 4.921 4.640 -0.000 0.000 0.243 319 D C -0.973 175.308 176.300 -0.033 0.000 1.129 319 D CA -0.527 53.441 54.000 -0.052 0.000 0.848 319 D CB 1.309 42.077 40.800 -0.053 0.000 1.107 319 D HN 0.046 nan 8.370 nan 0.000 0.471 320 L N 4.997 126.245 121.223 0.042 0.000 2.386 320 L HA 0.530 4.870 4.340 -0.000 0.000 0.271 320 L C -1.569 175.303 176.870 0.004 0.000 0.993 320 L CA -0.751 54.122 54.840 0.055 0.000 0.819 320 L CB 1.863 44.024 42.059 0.171 0.000 1.294 320 L HN 0.120 nan 8.230 nan 0.000 0.414 321 V N 5.982 125.851 119.914 -0.075 0.000 2.638 321 V HA 0.799 4.919 4.120 -0.000 0.000 0.306 321 V C -1.557 174.362 176.094 -0.291 0.000 1.052 321 V CA -0.332 61.858 62.300 -0.182 0.000 0.885 321 V CB 2.264 34.018 31.823 -0.116 0.000 0.999 321 V HN 0.600 nan 8.190 nan 0.000 0.424 322 V N 7.665 127.203 119.914 -0.627 0.000 2.540 322 V HA 0.614 4.734 4.120 -0.000 0.000 0.302 322 V C -0.303 175.504 176.094 -0.478 0.000 1.035 322 V CA -0.449 61.457 62.300 -0.657 0.000 0.873 322 V CB 1.760 32.887 31.823 -1.159 0.000 0.992 322 V HN 0.795 nan 8.190 nan 0.000 0.428 323 I N 4.831 125.263 120.570 -0.230 0.000 2.466 323 I HA 0.685 4.855 4.170 -0.000 0.000 0.289 323 I C -0.160 175.873 176.117 -0.141 0.000 1.026 323 I CA -0.335 60.886 61.300 -0.131 0.000 1.078 323 I CB 1.805 39.785 38.000 -0.034 0.000 1.249 323 I HN 0.886 nan 8.210 nan 0.000 0.429 324 C N 2.344 121.557 119.300 -0.145 0.000 3.336 324 C HA 0.584 5.044 4.460 -0.000 0.000 0.352 324 C C -0.644 174.258 174.990 -0.148 0.000 1.567 324 C CA -0.897 58.053 59.018 -0.114 0.000 1.328 324 C CB 1.873 29.586 27.740 -0.044 0.000 1.922 324 C HN 0.620 nan 8.230 nan 0.000 0.439 325 E N 1.811 121.949 120.200 -0.102 0.000 2.229 325 E HA 0.310 4.660 4.350 -0.000 0.000 0.283 325 E C -0.015 176.554 176.600 -0.051 0.000 1.030 325 E CA 0.452 56.793 56.400 -0.098 0.000 0.836 325 E CB 1.720 31.376 29.700 -0.074 0.000 1.068 325 E HN 0.723 nan 8.360 nan 0.000 0.401 326 S N 1.924 117.603 115.700 -0.035 0.000 2.549 326 S HA 0.225 4.695 4.470 -0.000 0.000 0.283 326 S C 0.665 175.277 174.600 0.020 0.000 1.320 326 S CA 0.043 58.269 58.200 0.043 0.000 1.058 326 S CB 0.684 63.967 63.200 0.137 0.000 0.882 326 S HN 0.524 nan 8.310 nan 0.000 0.498 327 A N 3.664 126.503 122.820 0.032 0.000 2.345 327 A HA 0.630 4.950 4.320 -0.000 0.000 0.225 327 A C 1.013 178.604 177.584 0.012 0.000 1.243 327 A CA 0.252 52.297 52.037 0.013 0.000 0.875 327 A CB -0.998 18.009 19.000 0.012 0.000 0.929 327 A HN 1.933 nan 8.150 nan 0.000 0.502 328 G N -1.620 107.193 108.800 0.021 0.000 2.576 328 G HA2 0.104 4.064 3.960 -0.000 0.000 0.686 328 G HA3 0.104 4.064 3.960 -0.000 0.000 0.686 328 G C 0.484 175.400 174.900 0.027 0.000 1.242 328 G CA 0.217 45.315 45.100 -0.003 0.000 0.819 328 G HN 0.958 nan 8.290 nan 0.000 0.655 329 T N -1.624 112.919 114.554 -0.017 0.000 2.746 329 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 329 T C 2.029 176.766 174.700 0.062 0.000 1.039 329 T CA 2.170 64.291 62.100 0.035 0.000 1.142 329 T CB -0.199 68.639 68.868 -0.049 0.000 0.866 329 T HN 0.530 nan 8.240 nan 0.000 0.444 330 Q N 1.117 120.931 119.800 0.024 0.000 2.046 330 Q HA -0.074 4.266 4.340 -0.000 0.000 0.200 330 Q C 2.405 178.419 176.000 0.023 0.000 0.975 330 Q CA 1.799 57.614 55.803 0.021 0.000 0.836 330 Q CB -0.389 28.354 28.738 0.008 0.000 0.896 330 Q HN 0.679 nan 8.270 nan 0.000 0.428 331 E N 0.829 121.041 120.200 0.021 0.000 2.110 331 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 331 E C 1.660 178.273 176.600 0.022 0.000 0.988 331 E CA 1.089 57.500 56.400 0.017 0.000 0.804 331 E CB -0.105 29.604 29.700 0.014 0.000 0.745 331 E HN 0.282 nan 8.360 nan 0.000 0.458 332 D N 0.244 120.671 120.400 0.046 0.000 2.104 332 D HA -0.145 4.495 4.640 -0.000 0.000 0.194 332 D C 1.888 178.187 176.300 -0.001 0.000 0.994 332 D CA 1.569 55.596 54.000 0.044 0.000 0.830 332 D CB -0.420 40.465 40.800 0.141 0.000 0.959 332 D HN 0.215 nan 8.370 nan 0.000 0.452 333 A N 0.947 123.779 122.820 0.020 0.000 1.908 333 A HA -0.092 4.228 4.320 -0.000 0.000 0.218 333 A C 2.305 179.877 177.584 -0.021 0.000 1.181 333 A CA 2.462 54.497 52.037 -0.004 0.000 0.627 333 A CB -0.765 18.245 19.000 0.017 0.000 0.818 333 A HN 0.249 nan 8.150 nan 0.000 0.445 334 A N -0.819 121.997 122.820 -0.007 0.000 1.898 334 A HA -0.024 4.296 4.320 -0.000 0.000 0.216 334 A C 2.431 180.008 177.584 -0.011 0.000 1.181 334 A CA 1.920 53.953 52.037 -0.006 0.000 0.620 334 A CB -0.841 18.160 19.000 0.002 0.000 0.819 334 A HN 0.442 nan 8.150 nan 0.000 0.442 335 S N -0.277 115.414 115.700 -0.017 0.000 2.370 335 S HA -0.115 4.355 4.470 -0.000 0.000 0.226 335 S C 1.814 176.392 174.600 -0.036 0.000 1.033 335 S CA 1.373 59.564 58.200 -0.016 0.000 1.011 335 S CB -0.410 62.778 63.200 -0.020 0.000 0.852 335 S HN 0.512 nan 8.310 nan 0.000 0.457 336 L N 0.783 121.933 121.223 -0.121 0.000 2.201 336 L HA -0.065 4.275 4.340 -0.000 0.000 0.212 336 L C 2.560 179.409 176.870 -0.035 0.000 1.105 336 L CA 1.001 55.711 54.840 -0.217 0.000 0.775 336 L CB -0.177 41.668 42.059 -0.357 0.000 0.913 336 L HN 0.264 nan 8.230 nan 0.000 0.440 337 R N -1.277 119.215 120.500 -0.014 0.000 2.075 337 R HA -0.115 4.225 4.340 -0.000 0.000 0.232 337 R C 2.132 178.449 176.300 0.028 0.000 1.126 337 R CA 1.179 57.289 56.100 0.016 0.000 0.963 337 R CB -0.389 29.913 30.300 0.003 0.000 0.858 337 R HN 0.181 nan 8.270 nan 0.000 0.435 338 V N 0.966 120.895 119.914 0.025 0.000 2.295 338 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 338 V C 1.969 178.075 176.094 0.020 0.000 1.049 338 V CA 1.867 64.176 62.300 0.016 0.000 1.024 338 V CB -0.610 31.226 31.823 0.021 0.000 0.648 338 V HN 0.217 nan 8.190 nan 0.000 0.447 339 F N 1.487 121.383 119.950 -0.089 0.000 2.091 339 F HA -0.290 4.237 4.527 -0.000 0.000 0.299 339 F C 2.460 178.194 175.800 -0.110 0.000 1.103 339 F CA 2.505 60.443 58.000 -0.102 0.000 1.228 339 F CB -0.585 38.332 39.000 -0.138 0.000 0.984 339 F HN 0.120 nan 8.300 nan 0.000 0.477 340 T N 0.016 114.657 114.554 0.145 0.000 2.788 340 T HA -0.196 4.154 4.350 -0.000 0.000 0.268 340 T C 1.683 176.367 174.700 -0.028 0.000 1.044 340 T CA 1.772 63.954 62.100 0.137 0.000 1.139 340 T CB -0.335 68.676 68.868 0.238 0.000 0.867 340 T HN 0.427 nan 8.240 nan 0.000 0.454 341 E N 0.929 121.092 120.200 -0.062 0.000 2.106 341 E HA -0.020 4.330 4.350 -0.000 0.000 0.192 341 E C 2.549 179.011 176.600 -0.230 0.000 0.984 341 E CA 0.887 57.224 56.400 -0.105 0.000 0.806 341 E CB -0.186 29.468 29.700 -0.077 0.000 0.750 341 E HN 0.475 nan 8.360 nan 0.000 0.458 342 A N 1.384 124.011 122.820 -0.322 0.000 1.877 342 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 342 A C 2.174 179.278 177.584 -0.800 0.000 1.186 342 A CA 1.230 52.923 52.037 -0.574 0.000 0.620 342 A CB -0.335 18.401 19.000 -0.441 0.000 0.822 342 A HN 0.107 nan 8.150 nan 0.000 0.443 343 M N -0.157 119.123 119.600 -0.535 0.000 2.106 343 M HA -0.139 4.341 4.480 -0.000 0.000 0.259 343 M C 2.202 178.423 176.300 -0.133 0.000 1.068 343 M CA 2.161 57.288 55.300 -0.288 0.000 1.100 343 M CB -2.002 30.376 32.600 -0.371 0.000 1.351 343 M HN 0.470 nan 8.290 nan 0.000 0.404 344 T N 0.087 114.565 114.554 -0.127 0.000 2.708 344 T HA -0.127 4.223 4.350 -0.000 0.000 0.266 344 T C 1.965 176.603 174.700 -0.104 0.000 1.037 344 T CA 1.168 63.234 62.100 -0.056 0.000 1.146 344 T CB -0.226 68.616 68.868 -0.043 0.000 0.865 344 T HN 0.381 nan 8.240 nan 0.000 0.435 345 R N 0.011 120.372 120.500 -0.232 0.000 2.127 345 R HA -0.077 4.263 4.340 -0.000 0.000 0.238 345 R C 1.886 178.113 176.300 -0.122 0.000 1.134 345 R CA 1.183 57.150 56.100 -0.221 0.000 0.975 345 R CB -0.325 29.773 30.300 -0.336 0.000 0.865 345 R HN 0.450 nan 8.270 nan 0.000 0.447 346 Y N -0.376 119.882 120.300 -0.071 0.000 2.578 346 Y HA 0.024 4.574 4.550 -0.000 0.000 0.297 346 Y C 1.383 177.248 175.900 -0.059 0.000 1.176 346 Y CA 0.155 58.202 58.100 -0.089 0.000 1.315 346 Y CB 0.016 38.447 38.460 -0.049 0.000 1.031 346 Y HN 0.059 nan 8.280 nan 0.000 0.524 347 S N -1.633 114.118 115.700 0.086 0.000 2.581 347 S HA -0.154 4.316 4.470 -0.000 0.000 0.264 347 S C 0.257 174.904 174.600 0.078 0.000 1.362 347 S CA 0.456 58.695 58.200 0.065 0.000 1.150 347 S CB -1.651 61.574 63.200 0.042 0.000 1.424 347 S HN 0.578 nan 8.310 nan 0.000 0.682 348 A N 2.113 125.002 122.820 0.115 0.000 3.056 348 A HA 0.622 4.942 4.320 -0.000 0.000 0.328 348 A C -2.182 175.550 177.584 0.248 0.000 1.233 348 A CA -1.214 50.931 52.037 0.180 0.000 0.965 348 A CB 0.385 19.548 19.000 0.272 0.000 1.123 348 A HN 0.451 nan 8.150 nan 0.000 0.502 349 P HA 0.229 nan 4.420 nan 0.000 0.271 349 P C -2.886 174.479 177.300 0.107 0.000 1.218 349 P CA -1.257 61.917 63.100 0.123 0.000 0.780 349 P CB 0.449 32.156 31.700 0.012 0.000 0.901 350 P HA 0.045 nan 4.420 nan 0.000 0.275 350 P C 0.957 178.183 177.300 -0.124 0.000 1.227 350 P CA 0.222 63.197 63.100 -0.209 0.000 0.781 350 P CB 0.549 32.116 31.700 -0.222 0.000 0.906 351 G N 2.252 110.970 108.800 -0.137 0.000 2.396 351 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.214 351 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.214 351 G C 0.046 174.900 174.900 -0.076 0.000 1.166 351 G CA 0.366 45.420 45.100 -0.077 0.000 0.793 351 G HN 0.482 nan 8.290 nan 0.000 0.533 352 D N 0.506 120.846 120.400 -0.100 0.000 2.646 352 D HA 0.317 4.957 4.640 -0.000 0.000 0.245 352 D C -2.661 173.587 176.300 -0.086 0.000 1.099 352 D CA -1.102 52.855 54.000 -0.072 0.000 0.849 352 D CB 2.430 43.201 40.800 -0.048 0.000 1.448 352 D HN -0.013 nan 8.370 nan 0.000 0.489 353 P HA 0.110 nan 4.420 nan 0.000 0.264 353 P C -2.414 174.882 177.300 -0.008 0.000 1.193 353 P CA -0.806 62.282 63.100 -0.019 0.000 0.763 353 P CB -0.283 31.415 31.700 -0.004 0.000 0.810 354 P HA 0.185 nan 4.420 nan 0.000 0.271 354 P C -0.589 176.704 177.300 -0.011 0.000 1.218 354 P CA 0.076 63.210 63.100 0.056 0.000 0.780 354 P CB 0.635 32.441 31.700 0.177 0.000 0.901 355 Q N 2.313 122.120 119.800 0.012 0.000 2.337 355 Q HA 0.464 4.804 4.340 -0.000 0.000 0.270 355 Q C -2.532 173.462 176.000 -0.009 0.000 1.043 355 Q CA -2.070 53.727 55.803 -0.010 0.000 0.794 355 Q CB 1.717 30.462 28.738 0.012 0.000 1.281 355 Q HN 0.279 nan 8.270 nan 0.000 0.446 356 P HA 0.075 nan 4.420 nan 0.000 0.268 356 P C -0.955 176.225 177.300 -0.199 0.000 1.205 356 P CA 0.045 63.061 63.100 -0.140 0.000 0.771 356 P CB 0.715 32.326 31.700 -0.149 0.000 0.858 357 E N 1.497 121.516 120.200 -0.303 0.000 2.343 357 E HA 0.273 4.623 4.350 -0.000 0.000 0.270 357 E C -0.711 175.663 176.600 -0.375 0.000 0.895 357 E CA -0.350 55.915 56.400 -0.226 0.000 0.767 357 E CB 1.570 31.248 29.700 -0.038 0.000 1.248 357 E HN 0.415 nan 8.360 nan 0.000 0.440 358 Y N -0.367 120.089 120.300 0.261 0.000 2.675 358 Y HA 0.214 4.764 4.550 -0.000 0.000 0.248 358 Y C -0.035 176.128 175.900 0.439 0.000 1.161 358 Y CA -0.422 57.899 58.100 0.369 0.000 1.203 358 Y CB 1.151 39.722 38.460 0.185 0.000 1.262 358 Y HN 0.236 nan 8.280 nan 0.000 0.544 359 D N 0.611 121.165 120.400 0.256 0.000 2.686 359 D HA 0.114 4.754 4.640 -0.000 0.000 0.249 359 D C 0.640 176.632 176.300 -0.514 0.000 1.260 359 D CA -0.297 53.673 54.000 -0.050 0.000 0.910 359 D CB 1.994 42.794 40.800 0.001 0.000 1.323 359 D HN 0.178 nan 8.370 nan 0.000 0.561 360 L N 4.523 125.029 121.223 -1.195 0.000 2.081 360 L HA -0.132 4.208 4.340 -0.000 0.000 0.212 360 L C 1.655 178.181 176.870 -0.574 0.000 1.080 360 L CA 2.014 56.083 54.840 -1.285 0.000 0.754 360 L CB -0.259 40.945 42.059 -1.424 0.000 0.893 360 L HN 0.505 nan 8.230 nan 0.000 0.433 361 E N -0.682 119.281 120.200 -0.394 0.000 2.338 361 E HA -0.160 4.190 4.350 -0.000 0.000 0.197 361 E C 1.948 178.450 176.600 -0.162 0.000 1.007 361 E CA 0.994 57.259 56.400 -0.226 0.000 0.849 361 E CB -0.189 29.422 29.700 -0.147 0.000 0.774 361 E HN 0.564 nan 8.360 nan 0.000 0.506 362 L N 0.792 121.918 121.223 -0.161 0.000 2.592 362 L HA 0.172 4.512 4.340 -0.000 0.000 0.227 362 L C 0.701 177.519 176.870 -0.087 0.000 1.127 362 L CA -0.108 54.677 54.840 -0.092 0.000 0.884 362 L CB 0.154 42.181 42.059 -0.052 0.000 1.065 362 L HN 0.019 nan 8.230 nan 0.000 0.457 363 I N 0.351 120.841 120.570 -0.132 0.000 2.312 363 I HA 0.101 4.271 4.170 -0.000 0.000 0.291 363 I C -0.018 176.055 176.117 -0.074 0.000 1.031 363 I CA 0.140 61.382 61.300 -0.095 0.000 1.293 363 I CB 1.185 39.109 38.000 -0.127 0.000 1.403 363 I HN -0.064 nan 8.210 nan 0.000 0.484 364 T N 5.124 119.656 114.554 -0.037 0.000 2.749 364 T HA 0.446 4.796 4.350 -0.000 0.000 0.287 364 T C -0.145 174.550 174.700 -0.008 0.000 0.970 364 T CA -0.606 61.482 62.100 -0.020 0.000 0.980 364 T CB 0.959 69.823 68.868 -0.008 0.000 0.924 364 T HN 0.726 nan 8.240 nan 0.000 0.456 365 S N 0.755 116.452 115.700 -0.006 0.000 2.540 365 S HA 0.441 4.911 4.470 -0.000 0.000 0.275 365 S C 0.200 174.811 174.600 0.018 0.000 1.123 365 S CA -0.809 57.390 58.200 -0.002 0.000 0.907 365 S CB 0.679 63.862 63.200 -0.029 0.000 1.081 365 S HN 0.910 nan 8.310 nan 0.000 0.476 366 C N 1.804 121.119 119.300 0.025 0.000 4.356 366 C HA -0.172 4.288 4.460 -0.000 0.000 0.296 366 C C 1.369 176.422 174.990 0.106 0.000 1.424 366 C CA 0.622 59.678 59.018 0.063 0.000 2.000 366 C CB -3.318 24.458 27.740 0.059 0.000 1.262 366 C HN 1.777 nan 8.230 nan 0.000 0.789 367 S N -1.811 113.935 115.700 0.076 0.000 3.261 367 S HA -0.211 4.259 4.470 -0.000 0.000 0.287 367 S C 0.308 174.955 174.600 0.078 0.000 1.281 367 S CA 1.484 59.726 58.200 0.071 0.000 1.053 367 S CB -1.549 61.705 63.200 0.089 0.000 1.251 367 S HN 2.028 nan 8.310 nan 0.000 0.659 368 S N 1.124 116.881 115.700 0.095 0.000 2.704 368 S HA 0.850 5.320 4.470 -0.000 0.000 0.296 368 S C -0.891 173.738 174.600 0.049 0.000 1.138 368 S CA -0.394 57.879 58.200 0.121 0.000 0.875 368 S CB 2.246 65.602 63.200 0.260 0.000 1.151 368 S HN 0.593 nan 8.310 nan 0.000 0.500 369 N N -0.818 117.901 118.700 0.031 0.000 2.610 369 N HA 0.375 5.115 4.740 -0.000 0.000 0.264 369 N C -1.586 173.871 175.510 -0.088 0.000 1.348 369 N CA -0.705 52.318 53.050 -0.045 0.000 0.819 369 N CB 1.363 39.810 38.487 -0.066 0.000 1.521 369 N HN 0.489 nan 8.380 nan 0.000 0.497 370 V N 0.449 120.275 119.914 -0.147 0.000 2.583 370 V HA 0.429 4.549 4.120 -0.000 0.000 0.287 370 V C 0.563 176.521 176.094 -0.225 0.000 1.051 370 V CA -0.017 62.169 62.300 -0.189 0.000 1.010 370 V CB 0.779 32.484 31.823 -0.196 0.000 0.988 370 V HN 0.831 nan 8.190 nan 0.000 0.478 371 S N 3.219 118.686 115.700 -0.388 0.000 2.732 371 S HA 0.866 5.336 4.470 -0.000 0.000 0.293 371 S C -1.052 173.370 174.600 -0.296 0.000 1.159 371 S CA -0.522 57.469 58.200 -0.347 0.000 0.847 371 S CB 2.095 65.061 63.200 -0.391 0.000 1.169 371 S HN 0.446 nan 8.310 nan 0.000 0.501 372 V N 0.924 120.787 119.914 -0.086 0.000 2.823 372 V HA 1.005 5.125 4.120 -0.000 0.000 0.312 372 V C 0.126 176.207 176.094 -0.022 0.000 1.072 372 V CA -0.265 61.949 62.300 -0.143 0.000 0.937 372 V CB 1.056 32.678 31.823 -0.335 0.000 1.013 372 V HN 1.188 nan 8.190 nan 0.000 0.430 373 A N 1.882 124.539 122.820 -0.271 0.000 2.515 373 A HA 0.844 5.164 4.320 -0.000 0.000 0.299 373 A C -1.421 175.733 177.584 -0.718 0.000 1.179 373 A CA -0.647 51.097 52.037 -0.488 0.000 0.656 373 A CB 1.696 20.248 19.000 -0.745 0.000 1.306 373 A HN 0.882 nan 8.150 nan 0.000 0.459 374 H N 0.409 119.175 119.070 -0.506 0.000 2.622 374 H HA 0.425 4.981 4.556 -0.000 0.000 0.363 374 H C -0.995 174.150 175.328 -0.305 0.000 1.151 374 H CA -0.364 55.437 56.048 -0.412 0.000 1.184 374 H CB 1.832 31.309 29.762 -0.474 0.000 1.643 374 H HN 0.904 nan 8.280 nan 0.000 0.531 375 D N 0.667 121.060 120.400 -0.012 0.000 2.440 375 D HA 0.155 4.795 4.640 -0.000 0.000 0.269 375 D C 1.337 177.765 176.300 0.212 0.000 1.249 375 D CA -0.400 53.642 54.000 0.071 0.000 1.055 375 D CB 0.285 41.099 40.800 0.025 0.000 1.104 375 D HN 0.469 nan 8.370 nan 0.000 0.561 376 A N -0.256 122.650 122.820 0.143 0.000 1.948 376 A HA -0.167 4.153 4.320 -0.000 0.000 0.220 376 A C 2.098 179.743 177.584 0.103 0.000 1.177 376 A CA 1.973 54.067 52.037 0.095 0.000 0.636 376 A CB -0.997 18.027 19.000 0.041 0.000 0.815 376 A HN 0.476 nan 8.150 nan 0.000 0.449 377 S N -1.776 113.977 115.700 0.089 0.000 2.607 377 S HA 0.325 4.795 4.470 -0.000 0.000 0.224 377 S C 1.498 176.145 174.600 0.078 0.000 0.969 377 S CA 0.974 59.213 58.200 0.066 0.000 0.927 377 S CB -0.069 63.159 63.200 0.046 0.000 0.772 377 S HN 1.632 nan 8.310 nan 0.000 0.533 378 G N 1.743 110.620 108.800 0.128 0.000 2.176 378 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.253 378 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.253 378 G C 0.131 175.116 174.900 0.142 0.000 0.979 378 G CA 0.286 45.445 45.100 0.100 0.000 0.641 378 G HN 0.517 nan 8.290 nan 0.000 0.530 379 K N 1.032 121.488 120.400 0.094 0.000 2.355 379 K HA 0.365 4.685 4.320 -0.000 0.000 0.270 379 K C 0.886 177.471 176.600 -0.025 0.000 1.003 379 K CA -0.616 55.701 56.287 0.050 0.000 0.957 379 K CB 0.282 32.793 32.500 0.018 0.000 0.939 379 K HN 0.259 nan 8.250 nan 0.000 0.482 380 R N 1.795 122.227 120.500 -0.113 0.000 2.570 380 R HA 0.125 4.465 4.340 -0.000 0.000 0.277 380 R C -0.810 175.278 176.300 -0.354 0.000 1.039 380 R CA -0.111 55.760 56.100 -0.382 0.000 1.065 380 R CB 0.725 30.813 30.300 -0.353 0.000 0.964 380 R HN 0.299 nan 8.270 nan 0.000 0.428 381 V N 4.708 124.332 119.914 -0.484 0.000 2.623 381 V HA 0.234 4.354 4.120 -0.000 0.000 0.304 381 V C -1.124 174.770 176.094 -0.332 0.000 1.054 381 V CA -0.907 61.214 62.300 -0.298 0.000 0.882 381 V CB 1.489 33.205 31.823 -0.178 0.000 1.002 381 V HN 0.591 nan 8.190 nan 0.000 0.424 382 Y N 5.014 125.305 120.300 -0.015 0.000 2.310 382 Y HA 0.687 5.237 4.550 -0.000 0.000 0.326 382 Y C 0.001 175.954 175.900 0.088 0.000 1.151 382 Y CA -0.338 57.755 58.100 -0.011 0.000 1.195 382 Y CB 1.213 39.624 38.460 -0.082 0.000 1.210 382 Y HN 0.734 nan 8.280 nan 0.000 0.483 383 Y N 0.332 120.683 120.300 0.085 0.000 2.597 383 Y HA 0.663 5.213 4.550 -0.000 0.000 0.340 383 Y C -2.050 173.901 175.900 0.084 0.000 1.097 383 Y CA -1.985 56.149 58.100 0.057 0.000 1.037 383 Y CB 0.641 39.107 38.460 0.010 0.000 1.305 383 Y HN 0.470 nan 8.280 nan 0.000 0.463 384 L N 2.336 123.617 121.223 0.097 0.000 2.326 384 L HA 0.728 5.068 4.340 -0.000 0.000 0.278 384 L C 0.100 177.142 176.870 0.288 0.000 1.092 384 L CA 0.620 55.510 54.840 0.082 0.000 0.810 384 L CB 1.255 43.373 42.059 0.099 0.000 1.153 384 L HN 1.040 nan 8.230 nan 0.000 0.439 385 T N 4.334 119.032 114.554 0.240 0.000 2.696 385 T HA 0.866 5.216 4.350 -0.000 0.000 0.291 385 T C -1.151 173.701 174.700 0.253 0.000 1.095 385 T CA -0.575 61.753 62.100 0.380 0.000 1.026 385 T CB 1.153 70.208 68.868 0.313 0.000 1.390 385 T HN 0.850 nan 8.240 nan 0.000 0.513 386 R N 0.382 120.978 120.500 0.161 0.000 2.741 386 R HA 0.493 4.833 4.340 -0.000 0.000 0.274 386 R C -1.647 174.524 176.300 -0.216 0.000 1.029 386 R CA -0.984 55.088 56.100 -0.045 0.000 0.880 386 R CB 0.258 30.470 30.300 -0.147 0.000 1.264 386 R HN 0.495 nan 8.270 nan 0.000 0.465 387 D N 1.612 121.862 120.400 -0.250 0.000 2.417 387 D HA 0.075 4.715 4.640 -0.000 0.000 0.250 387 D C -1.333 174.596 176.300 -0.619 0.000 1.166 387 D CA -1.677 52.112 54.000 -0.352 0.000 0.881 387 D CB 1.315 41.994 40.800 -0.203 0.000 1.164 387 D HN 0.338 nan 8.370 nan 0.000 0.467 388 P HA -0.046 nan 4.420 nan 0.000 0.237 388 P C 1.178 178.134 177.300 -0.573 0.000 1.178 388 P CA 0.356 62.733 63.100 -1.205 0.000 0.766 388 P CB 0.292 31.208 31.700 -1.307 0.000 0.876 389 T N 0.214 114.554 114.554 -0.355 0.000 2.580 389 T HA -0.147 4.203 4.350 -0.000 0.000 0.265 389 T C 1.821 176.444 174.700 -0.129 0.000 1.063 389 T CA 2.557 64.549 62.100 -0.180 0.000 1.170 389 T CB -1.272 67.535 68.868 -0.100 0.000 0.863 389 T HN 0.193 nan 8.240 nan 0.000 0.418 390 T N 2.332 116.815 114.554 -0.118 0.000 2.746 390 T HA -0.060 4.290 4.350 -0.000 0.000 0.267 390 T C -0.593 174.048 174.700 -0.098 0.000 1.039 390 T CA 1.268 63.313 62.100 -0.092 0.000 1.142 390 T CB -1.252 67.579 68.868 -0.063 0.000 0.866 390 T HN 0.358 nan 8.240 nan 0.000 0.444 391 P HA 0.021 nan 4.420 nan 0.000 0.216 391 P C 1.458 178.790 177.300 0.053 0.000 1.150 391 P CA 0.861 63.955 63.100 -0.009 0.000 0.837 391 P CB -0.172 31.512 31.700 -0.026 0.000 0.786 392 L N -1.336 119.874 121.223 -0.021 0.000 2.095 392 L HA -0.053 4.287 4.340 -0.000 0.000 0.204 392 L C 2.486 179.391 176.870 0.058 0.000 1.080 392 L CA 1.276 56.132 54.840 0.027 0.000 0.759 392 L CB -1.171 40.864 42.059 -0.040 0.000 0.914 392 L HN -0.064 nan 8.230 nan 0.000 0.439 393 A N 0.416 123.253 122.820 0.028 0.000 1.908 393 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 393 A C 2.370 180.016 177.584 0.103 0.000 1.181 393 A CA 1.563 53.635 52.037 0.059 0.000 0.627 393 A CB -0.455 18.551 19.000 0.009 0.000 0.818 393 A HN 0.334 nan 8.150 nan 0.000 0.445 394 R N -0.771 119.765 120.500 0.060 0.000 2.148 394 R HA 0.061 4.401 4.340 -0.000 0.000 0.223 394 R C 2.401 178.864 176.300 0.273 0.000 1.088 394 R CA 0.891 57.051 56.100 0.100 0.000 0.985 394 R CB -0.349 29.950 30.300 -0.002 0.000 0.880 394 R HN 0.510 nan 8.270 nan 0.000 0.451 395 A N 1.371 124.370 122.820 0.298 0.000 1.930 395 A HA -0.067 4.253 4.320 -0.000 0.000 0.217 395 A C 2.353 180.160 177.584 0.372 0.000 1.175 395 A CA 1.534 53.860 52.037 0.482 0.000 0.627 395 A CB -0.479 18.823 19.000 0.503 0.000 0.815 395 A HN 0.358 nan 8.150 nan 0.000 0.443 396 A N -1.146 121.810 122.820 0.226 0.000 1.877 396 A HA -0.188 4.132 4.320 -0.000 0.000 0.216 396 A C 2.119 179.845 177.584 0.235 0.000 1.186 396 A CA 1.377 53.515 52.037 0.168 0.000 0.620 396 A CB -0.933 18.156 19.000 0.147 0.000 0.822 396 A HN 0.828 nan 8.150 nan 0.000 0.443 397 W N 1.021 122.383 121.300 0.103 0.000 2.335 397 W HA -0.177 4.483 4.660 -0.000 0.000 0.311 397 W C 1.674 178.271 176.519 0.129 0.000 1.213 397 W CA 2.059 59.461 57.345 0.094 0.000 1.274 397 W CB -0.270 29.228 29.460 0.063 0.000 1.148 397 W HN 0.554 nan 8.180 nan 0.000 0.498 398 E N -0.904 119.566 120.200 0.450 0.000 2.347 398 E HA -0.122 4.228 4.350 -0.000 0.000 0.196 398 E C 1.951 178.727 176.600 0.293 0.000 1.008 398 E CA 1.455 58.095 56.400 0.399 0.000 0.852 398 E CB -0.117 29.885 29.700 0.504 0.000 0.783 398 E HN 0.110 nan 8.360 nan 0.000 0.505 399 T N 0.227 114.936 114.554 0.259 0.000 2.937 399 T HA 0.017 4.367 4.350 -0.000 0.000 0.260 399 T C 1.872 176.582 174.700 0.017 0.000 1.051 399 T CA 0.962 63.153 62.100 0.151 0.000 1.141 399 T CB 0.100 69.083 68.868 0.191 0.000 0.879 399 T HN 0.200 nan 8.240 nan 0.000 0.459 400 A N 0.966 123.765 122.820 -0.033 0.000 2.132 400 A HA 0.274 4.594 4.320 -0.000 0.000 0.213 400 A C 1.132 178.595 177.584 -0.202 0.000 1.154 400 A CA 0.301 52.257 52.037 -0.135 0.000 0.753 400 A CB 0.177 19.064 19.000 -0.189 0.000 0.826 400 A HN 0.318 nan 8.150 nan 0.000 0.469 401 R N -1.345 119.035 120.500 -0.201 0.000 2.836 401 R HA 0.400 4.740 4.340 -0.000 0.000 0.269 401 R C -1.357 174.950 176.300 0.011 0.000 1.010 401 R CA -0.894 55.110 56.100 -0.160 0.000 0.930 401 R CB 0.852 30.951 30.300 -0.335 0.000 1.218 401 R HN 0.295 nan 8.270 nan 0.000 0.473 402 H N 1.177 120.259 119.070 0.020 0.000 2.548 402 H HA 0.303 4.859 4.556 0.000 0.000 0.331 402 H C -0.514 174.875 175.328 0.102 0.000 1.093 402 H CA 0.256 56.346 56.048 0.070 0.000 1.367 402 H CB 1.291 31.079 29.762 0.043 0.000 1.455 402 H HN 0.663 nan 8.280 nan 0.000 0.519 403 T N 1.888 116.655 114.554 0.356 0.000 2.916 403 T HA 0.268 4.618 4.350 -0.000 0.000 0.305 403 T C -1.932 172.846 174.700 0.130 0.000 1.119 403 T CA -1.579 60.653 62.100 0.219 0.000 1.008 403 T CB 2.328 71.356 68.868 0.266 0.000 1.129 403 T HN 0.280 nan 8.240 nan 0.000 0.480 404 P HA 0.061 nan 4.420 nan 0.000 0.218 404 P C 0.246 177.561 177.300 0.024 0.000 1.149 404 P CA 0.416 63.510 63.100 -0.009 0.000 0.817 404 P CB 0.038 31.708 31.700 -0.049 0.000 0.785 405 V N 2.094 122.027 119.914 0.031 0.000 2.435 405 V HA 0.247 4.367 4.120 -0.000 0.000 0.290 405 V C 0.079 176.175 176.094 0.002 0.000 1.030 405 V CA -0.689 61.611 62.300 0.000 0.000 0.881 405 V CB 1.387 33.202 31.823 -0.014 0.000 0.983 405 V HN 0.030 nan 8.190 nan 0.000 0.445 406 N N 2.779 121.417 118.700 -0.103 0.000 2.699 406 N HA 0.118 4.858 4.740 -0.000 0.000 0.232 406 N C 1.185 176.469 175.510 -0.376 0.000 1.027 406 N CA -0.013 52.897 53.050 -0.233 0.000 0.920 406 N CB 1.660 39.856 38.487 -0.485 0.000 1.148 406 N HN 0.793 nan 8.380 nan 0.000 0.509 407 S N 1.166 116.788 115.700 -0.130 0.000 2.419 407 S HA -0.106 4.364 4.470 -0.000 0.000 0.233 407 S C 1.753 176.316 174.600 -0.062 0.000 1.016 407 S CA 0.099 58.254 58.200 -0.076 0.000 0.974 407 S CB -0.395 62.814 63.200 0.016 0.000 0.786 407 S HN 0.767 nan 8.310 nan 0.000 0.492 408 W N 1.378 122.612 121.300 -0.111 0.000 2.363 408 W HA -0.014 4.646 4.660 0.000 0.000 0.296 408 W C 1.677 178.106 176.519 -0.151 0.000 1.212 408 W CA 0.455 57.686 57.345 -0.190 0.000 1.260 408 W CB -1.090 27.919 29.460 -0.752 0.000 1.131 408 W HN 0.362 nan 8.180 nan 0.000 0.530 409 L N 2.975 123.499 121.223 -1.165 0.000 2.056 409 L HA 0.130 4.470 4.340 -0.000 0.000 0.207 409 L C 2.594 179.245 176.870 -0.365 0.000 1.078 409 L CA 2.802 57.034 54.840 -1.015 0.000 0.749 409 L CB -1.382 39.866 42.059 -1.352 0.000 0.901 409 L HN 0.046 nan 8.230 nan 0.000 0.433 410 G N -0.857 107.767 108.800 -0.294 0.000 2.422 410 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.218 410 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.218 410 G C 1.453 176.357 174.900 0.008 0.000 1.140 410 G CA 0.615 45.631 45.100 -0.139 0.000 0.775 410 G HN 0.436 nan 8.290 nan 0.000 0.545 411 N N 0.608 119.370 118.700 0.102 0.000 2.188 411 N HA -0.003 4.737 4.740 -0.000 0.000 0.184 411 N C 2.235 177.892 175.510 0.245 0.000 1.018 411 N CA 0.567 53.801 53.050 0.308 0.000 0.858 411 N CB -0.108 38.617 38.487 0.397 0.000 0.989 411 N HN 0.320 nan 8.380 nan 0.000 0.426 412 I N 1.051 121.724 120.570 0.170 0.000 2.226 412 I HA -0.216 3.954 4.170 -0.000 0.000 0.245 412 I C 2.017 178.192 176.117 0.096 0.000 1.100 412 I CA 0.911 62.298 61.300 0.145 0.000 1.374 412 I CB -0.139 38.007 38.000 0.242 0.000 1.057 412 I HN 0.048 nan 8.210 nan 0.000 0.413 413 I N -0.090 120.539 120.570 0.098 0.000 2.252 413 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 413 I C 2.434 178.658 176.117 0.179 0.000 1.102 413 I CA 1.104 62.495 61.300 0.151 0.000 1.385 413 I CB -0.199 37.875 38.000 0.123 0.000 1.064 413 I HN 0.226 nan 8.210 nan 0.000 0.414 414 M N -0.712 118.902 119.600 0.024 0.000 2.288 414 M HA -0.086 4.394 4.480 -0.000 0.000 0.266 414 M C 0.938 177.007 176.300 -0.384 0.000 1.072 414 M CA 1.652 56.833 55.300 -0.197 0.000 1.132 414 M CB -0.638 31.712 32.600 -0.417 0.000 1.386 414 M HN 0.193 nan 8.290 nan 0.000 0.432 415 Y N -0.861 119.419 120.300 -0.034 0.000 2.716 415 Y HA 0.490 5.040 4.550 0.000 0.000 0.260 415 Y C 1.741 177.377 175.900 -0.440 0.000 1.141 415 Y CA -0.367 57.597 58.100 -0.226 0.000 1.168 415 Y CB -0.781 37.489 38.460 -0.316 0.000 1.189 415 Y HN 0.133 nan 8.280 nan 0.000 0.549 416 A N 0.870 123.476 122.820 -0.357 0.000 1.948 416 A HA -0.147 4.173 4.320 -0.000 0.000 0.220 416 A C -0.412 176.905 177.584 -0.445 0.000 1.177 416 A CA 1.695 53.502 52.037 -0.383 0.000 0.636 416 A CB -1.316 17.460 19.000 -0.373 0.000 0.815 416 A HN 0.268 nan 8.150 nan 0.000 0.449 417 P HA -0.011 nan 4.420 nan 0.000 0.223 417 P C 0.818 177.856 177.300 -0.437 0.000 1.151 417 P CA 1.374 64.214 63.100 -0.433 0.000 0.787 417 P CB -0.436 31.049 31.700 -0.358 0.000 0.788 418 T N -2.253 112.037 114.554 -0.440 0.000 2.898 418 T HA 0.045 4.395 4.350 -0.000 0.000 0.301 418 T C 1.217 175.499 174.700 -0.697 0.000 1.049 418 T CA -0.685 61.096 62.100 -0.532 0.000 1.095 418 T CB 0.325 68.737 68.868 -0.761 0.000 0.976 418 T HN -0.214 nan 8.240 nan 0.000 0.539 419 L N 1.874 122.588 121.223 -0.848 0.000 2.012 419 L HA -0.040 4.300 4.340 -0.000 0.000 0.210 419 L C 2.378 178.931 176.870 -0.529 0.000 1.073 419 L CA 2.157 56.515 54.840 -0.804 0.000 0.748 419 L CB -1.427 40.102 42.059 -0.885 0.000 0.891 419 L HN 1.000 nan 8.230 nan 0.000 0.431 420 W N -0.533 120.551 121.300 -0.359 0.000 2.436 420 W HA 0.041 4.701 4.660 -0.000 0.000 0.284 420 W C 1.965 178.341 176.519 -0.238 0.000 1.225 420 W CA 0.747 57.915 57.345 -0.295 0.000 1.271 420 W CB -1.222 28.104 29.460 -0.222 0.000 1.114 420 W HN 0.262 nan 8.180 nan 0.000 0.559 421 A N 1.865 124.302 122.820 -0.639 0.000 1.929 421 A HA -0.078 4.242 4.320 -0.000 0.000 0.216 421 A C 2.246 179.703 177.584 -0.211 0.000 1.176 421 A CA 1.384 53.184 52.037 -0.396 0.000 0.628 421 A CB -0.632 17.986 19.000 -0.636 0.000 0.816 421 A HN 0.279 nan 8.150 nan 0.000 0.444 422 R N -1.170 119.122 120.500 -0.346 0.000 2.057 422 R HA 0.043 4.383 4.340 -0.000 0.000 0.229 422 R C 2.364 178.507 176.300 -0.262 0.000 1.136 422 R CA 1.523 57.452 56.100 -0.285 0.000 0.952 422 R CB -0.419 29.571 30.300 -0.517 0.000 0.848 422 R HN 0.622 nan 8.270 nan 0.000 0.430 423 M N 0.320 119.590 119.600 -0.550 0.000 2.132 423 M HA -0.112 4.368 4.480 -0.000 0.000 0.263 423 M C 1.628 177.730 176.300 -0.330 0.000 1.065 423 M CA 1.857 56.840 55.300 -0.529 0.000 1.122 423 M CB 0.191 32.457 32.600 -0.558 0.000 1.365 423 M HN 0.110 nan 8.290 nan 0.000 0.411 424 I N -0.910 119.365 120.570 -0.492 0.000 2.900 424 I HA -0.102 4.068 4.170 -0.000 0.000 0.251 424 I C 2.050 177.989 176.117 -0.298 0.000 1.102 424 I CA 0.189 60.952 61.300 -0.895 0.000 1.457 424 I CB -0.204 37.306 38.000 -0.817 0.000 1.285 424 I HN 0.209 nan 8.210 nan 0.000 0.459 425 L N 0.212 121.457 121.223 0.037 0.000 1.994 425 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 425 L C 2.669 179.850 176.870 0.517 0.000 1.071 425 L CA 1.692 56.765 54.840 0.388 0.000 0.745 425 L CB -0.458 41.861 42.059 0.432 0.000 0.892 425 L HN 0.275 nan 8.230 nan 0.000 0.431 426 M N -0.957 118.897 119.600 0.423 0.000 2.086 426 M HA -0.185 4.295 4.480 -0.000 0.000 0.261 426 M C 2.298 179.051 176.300 0.755 0.000 1.067 426 M CA 2.036 57.677 55.300 0.568 0.000 1.116 426 M CB -0.680 32.094 32.600 0.290 0.000 1.348 426 M HN 0.273 nan 8.290 nan 0.000 0.407 427 T N -1.335 113.620 114.554 0.668 0.000 2.708 427 T HA -0.206 4.144 4.350 -0.000 0.000 0.266 427 T C 1.639 176.602 174.700 0.439 0.000 1.037 427 T CA 1.835 64.307 62.100 0.620 0.000 1.146 427 T CB -0.530 68.714 68.868 0.626 0.000 0.865 427 T HN 0.460 nan 8.240 nan 0.000 0.435 428 H N 0.522 119.719 119.070 0.212 0.000 2.270 428 H HA -0.029 4.527 4.556 -0.000 0.000 0.299 428 H C 1.759 176.960 175.328 -0.210 0.000 1.077 428 H CA 1.711 57.754 56.048 -0.010 0.000 1.294 428 H CB -0.521 29.050 29.762 -0.319 0.000 1.371 428 H HN 0.359 nan 8.280 nan 0.000 0.491 429 F N -1.265 118.628 119.950 -0.095 0.000 2.293 429 F HA 0.024 4.551 4.527 0.000 0.000 0.297 429 F C 2.067 177.719 175.800 -0.248 0.000 1.089 429 F CA 0.450 58.175 58.000 -0.459 0.000 1.377 429 F CB -0.530 37.823 39.000 -1.079 0.000 1.051 429 F HN 0.131 nan 8.300 nan 0.000 0.511 430 F N -0.393 119.658 119.950 0.169 0.000 2.293 430 F HA -0.188 4.339 4.527 -0.000 0.000 0.300 430 F C 2.711 178.562 175.800 0.085 0.000 1.086 430 F CA 1.429 59.553 58.000 0.208 0.000 1.375 430 F CB -0.617 38.631 39.000 0.414 0.000 1.045 430 F HN -0.076 nan 8.300 nan 0.000 0.516 431 S N 0.315 116.116 115.700 0.168 0.000 2.368 431 S HA -0.159 4.311 4.470 -0.000 0.000 0.224 431 S C 2.135 176.700 174.600 -0.059 0.000 1.029 431 S CA 1.318 59.534 58.200 0.027 0.000 0.988 431 S CB -0.402 62.791 63.200 -0.011 0.000 0.838 431 S HN 0.339 nan 8.310 nan 0.000 0.462 432 I N 1.200 121.667 120.570 -0.171 0.000 2.252 432 I HA -0.151 4.018 4.170 -0.000 0.000 0.245 432 I C 2.168 178.233 176.117 -0.088 0.000 1.102 432 I CA 1.072 62.259 61.300 -0.188 0.000 1.385 432 I CB -0.321 37.488 38.000 -0.319 0.000 1.064 432 I HN 0.312 nan 8.210 nan 0.000 0.414 433 L N 0.106 121.290 121.223 -0.065 0.000 2.131 433 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 433 L C 2.501 179.379 176.870 0.014 0.000 1.092 433 L CA 1.073 55.899 54.840 -0.024 0.000 0.759 433 L CB -0.421 41.596 42.059 -0.069 0.000 0.903 433 L HN 0.298 nan 8.230 nan 0.000 0.435 434 L N -0.436 120.809 121.223 0.036 0.000 2.017 434 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 434 L C 2.895 179.776 176.870 0.018 0.000 1.073 434 L CA 1.265 56.135 54.840 0.050 0.000 0.745 434 L CB -0.613 41.483 42.059 0.063 0.000 0.894 434 L HN 0.248 nan 8.230 nan 0.000 0.432 435 A N -0.734 122.082 122.820 -0.006 0.000 1.902 435 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 435 A C 2.100 179.678 177.584 -0.010 0.000 1.181 435 A CA 1.347 53.373 52.037 -0.017 0.000 0.623 435 A CB -0.328 18.648 19.000 -0.040 0.000 0.818 435 A HN 0.432 nan 8.150 nan 0.000 0.443 436 Q N -0.564 119.230 119.800 -0.009 0.000 2.451 436 Q HA 0.030 4.370 4.340 -0.000 0.000 0.206 436 Q C -0.464 175.547 176.000 0.019 0.000 0.947 436 Q CA 0.599 56.404 55.803 0.002 0.000 0.937 436 Q CB -0.216 28.523 28.738 0.002 0.000 1.025 436 Q HN 0.792 nan 8.270 nan 0.000 0.511 437 E N 0.613 120.827 120.200 0.023 0.000 2.230 437 E HA -0.240 4.110 4.350 -0.000 0.000 0.206 437 E C -0.277 176.348 176.600 0.042 0.000 1.309 437 E CA 0.261 56.682 56.400 0.034 0.000 0.697 437 E CB -1.210 28.508 29.700 0.030 0.000 1.146 437 E HN 0.454 nan 8.360 nan 0.000 0.363 438 Q N -0.360 119.467 119.800 0.045 0.000 2.112 438 Q HA 0.206 4.546 4.340 -0.000 0.000 0.222 438 Q C 1.617 177.652 176.000 0.058 0.000 0.798 438 Q CA -0.260 55.577 55.803 0.056 0.000 1.060 438 Q CB 0.534 29.311 28.738 0.066 0.000 1.184 438 Q HN 0.392 nan 8.270 nan 0.000 0.475 439 L N 0.682 121.938 121.223 0.056 0.000 2.129 439 L HA -0.232 4.108 4.340 -0.000 0.000 0.212 439 L C 1.726 178.640 176.870 0.074 0.000 1.087 439 L CA 1.571 56.448 54.840 0.062 0.000 0.757 439 L CB -0.119 42.005 42.059 0.108 0.000 0.896 439 L HN 0.325 nan 8.230 nan 0.000 0.434 440 E N -0.585 119.658 120.200 0.072 0.000 2.442 440 E HA -0.047 4.303 4.350 -0.000 0.000 0.195 440 E C 0.748 177.388 176.600 0.067 0.000 1.030 440 E CA -0.082 56.360 56.400 0.071 0.000 0.869 440 E CB 0.269 30.006 29.700 0.062 0.000 0.857 440 E HN 0.258 nan 8.360 nan 0.000 0.505 441 K N 1.788 122.229 120.400 0.070 0.000 2.322 441 K HA 0.269 4.589 4.320 -0.000 0.000 0.283 441 K C -0.577 176.068 176.600 0.075 0.000 1.042 441 K CA -0.254 56.077 56.287 0.073 0.000 0.958 441 K CB 0.805 33.355 32.500 0.083 0.000 0.984 441 K HN -0.101 nan 8.250 nan 0.000 0.473 442 A N 5.237 128.097 122.820 0.068 0.000 2.388 442 A HA 0.425 4.745 4.320 -0.000 0.000 0.257 442 A C -0.501 177.117 177.584 0.057 0.000 1.095 442 A CA -0.492 51.581 52.037 0.061 0.000 0.791 442 A CB 0.253 19.290 19.000 0.061 0.000 1.029 442 A HN 0.746 nan 8.150 nan 0.000 0.489 443 L N 1.351 122.590 121.223 0.028 0.000 2.341 443 L HA 0.439 4.779 4.340 -0.000 0.000 0.267 443 L C -0.921 175.932 176.870 -0.029 0.000 1.009 443 L CA -1.115 53.727 54.840 0.004 0.000 0.819 443 L CB 2.017 44.054 42.059 -0.036 0.000 1.323 443 L HN 0.552 nan 8.230 nan 0.000 0.425 444 D N 1.078 121.468 120.400 -0.018 0.000 2.225 444 D HA 0.477 5.117 4.640 -0.000 0.000 0.248 444 D C -0.609 175.634 176.300 -0.096 0.000 1.096 444 D CA -0.026 53.961 54.000 -0.021 0.000 0.863 444 D CB 1.635 42.462 40.800 0.044 0.000 1.156 444 D HN 0.588 nan 8.370 nan 0.000 0.450 445 C N 0.782 120.013 119.300 -0.115 0.000 3.080 445 C HA 0.620 5.080 4.460 -0.000 0.000 0.307 445 C C -0.763 174.170 174.990 -0.095 0.000 1.311 445 C CA -1.001 57.925 59.018 -0.152 0.000 1.533 445 C CB 1.973 29.563 27.740 -0.250 0.000 1.970 445 C HN 0.378 nan 8.230 nan 0.000 0.467 446 Q N 0.981 120.730 119.800 -0.084 0.000 2.241 446 Q HA 0.663 5.003 4.340 -0.000 0.000 0.254 446 Q C -0.938 175.016 176.000 -0.076 0.000 0.917 446 Q CA -0.071 55.709 55.803 -0.039 0.000 0.919 446 Q CB 2.015 30.743 28.738 -0.015 0.000 1.237 446 Q HN 0.808 nan 8.270 nan 0.000 0.434 447 I N 2.632 123.168 120.570 -0.057 0.000 2.468 447 I HA 0.148 4.318 4.170 -0.000 0.000 0.285 447 I C -0.850 175.279 176.117 0.019 0.000 1.039 447 I CA -0.893 60.284 61.300 -0.206 0.000 1.074 447 I CB 1.047 38.611 38.000 -0.727 0.000 1.228 447 I HN 0.511 nan 8.210 nan 0.000 0.436 448 Y N 5.321 125.643 120.300 0.037 0.000 3.225 448 Y HA -0.264 4.286 4.550 -0.000 0.000 0.211 448 Y C 1.448 177.307 175.900 -0.068 0.000 1.223 448 Y CA 1.159 59.265 58.100 0.010 0.000 1.284 448 Y CB -1.908 36.559 38.460 0.012 0.000 1.367 448 Y HN 0.989 nan 8.280 nan 0.000 0.566 449 G N -2.277 106.603 108.800 0.133 0.000 2.268 449 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.240 449 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.240 449 G C 0.423 175.348 174.900 0.043 0.000 1.010 449 G CA 0.067 45.209 45.100 0.071 0.000 0.618 449 G HN 1.546 nan 8.290 nan 0.000 0.516 450 A N -0.355 122.498 122.820 0.054 0.000 2.310 450 A HA 0.646 4.966 4.320 -0.000 0.000 0.299 450 A C 0.604 178.048 177.584 -0.233 0.000 1.147 450 A CA 0.434 52.361 52.037 -0.182 0.000 0.818 450 A CB 0.998 19.793 19.000 -0.341 0.000 1.096 450 A HN 1.599 nan 8.150 nan 0.000 0.495 451 C N 2.921 121.991 119.300 -0.383 0.000 2.347 451 C HA 0.728 5.188 4.460 -0.000 0.000 0.353 451 C C -0.888 173.762 174.990 -0.568 0.000 1.273 451 C CA -0.433 58.428 59.018 -0.261 0.000 1.861 451 C CB -1.642 26.066 27.740 -0.052 0.000 2.420 451 C HN 0.646 nan 8.230 nan 0.000 0.542 452 Y N 3.138 123.236 120.300 -0.338 0.000 2.462 452 Y HA 0.453 5.003 4.550 -0.000 0.000 0.346 452 Y C 0.416 176.168 175.900 -0.246 0.000 0.976 452 Y CA -0.441 57.422 58.100 -0.396 0.000 1.044 452 Y CB 1.813 39.957 38.460 -0.526 0.000 1.230 452 Y HN 0.594 nan 8.280 nan 0.000 0.455 453 S N 3.934 119.602 115.700 -0.052 0.000 2.422 453 S HA 0.681 5.151 4.470 -0.000 0.000 0.298 453 S C -0.933 173.692 174.600 0.042 0.000 1.118 453 S CA -0.318 57.891 58.200 0.016 0.000 1.083 453 S CB -0.380 62.852 63.200 0.054 0.000 0.971 453 S HN 0.532 nan 8.310 nan 0.000 0.478 454 I N 3.820 124.406 120.570 0.025 0.000 2.608 454 I HA 0.389 4.559 4.170 -0.000 0.000 0.295 454 I C -0.230 175.916 176.117 0.049 0.000 1.049 454 I CA -0.702 60.630 61.300 0.054 0.000 1.063 454 I CB 2.233 40.248 38.000 0.025 0.000 1.248 454 I HN 0.542 nan 8.210 nan 0.000 0.424 455 E N 6.548 126.796 120.200 0.079 0.000 2.167 455 E HA 0.196 4.546 4.350 -0.000 0.000 0.284 455 E C -1.858 174.801 176.600 0.100 0.000 1.016 455 E CA -1.597 54.851 56.400 0.080 0.000 0.817 455 E CB 1.376 31.125 29.700 0.083 0.000 1.080 455 E HN 0.314 nan 8.360 nan 0.000 0.397 456 P HA -0.181 nan 4.420 nan 0.000 0.216 456 P C 1.064 178.513 177.300 0.248 0.000 1.150 456 P CA 1.099 64.273 63.100 0.124 0.000 0.843 456 P CB 0.220 31.922 31.700 0.003 0.000 0.787 457 L N -0.859 120.489 121.223 0.208 0.000 2.456 457 L HA -0.122 4.218 4.340 -0.000 0.000 0.224 457 L C 1.496 178.473 176.870 0.177 0.000 1.148 457 L CA 1.080 56.064 54.840 0.239 0.000 0.825 457 L CB -0.693 41.469 42.059 0.171 0.000 0.937 457 L HN -0.021 nan 8.230 nan 0.000 0.450 458 D N -0.219 120.271 120.400 0.150 0.000 2.347 458 D HA -0.042 4.598 4.640 -0.000 0.000 0.213 458 D C 2.325 178.699 176.300 0.123 0.000 0.985 458 D CA 0.471 54.535 54.000 0.108 0.000 0.879 458 D CB 0.197 41.053 40.800 0.094 0.000 0.919 458 D HN 0.289 nan 8.370 nan 0.000 0.526 459 L N 1.026 122.366 121.223 0.195 0.000 2.051 459 L HA -0.195 4.145 4.340 -0.000 0.000 0.214 459 L C -0.493 176.487 176.870 0.184 0.000 1.076 459 L CA 1.613 56.584 54.840 0.218 0.000 0.758 459 L CB -1.468 40.789 42.059 0.330 0.000 0.890 459 L HN 0.076 nan 8.230 nan 0.000 0.433 460 P HA -0.202 nan 4.420 nan 0.000 0.215 460 P C 1.349 178.708 177.300 0.097 0.000 1.153 460 P CA 1.397 64.531 63.100 0.057 0.000 0.853 460 P CB 0.019 31.593 31.700 -0.211 0.000 0.788 461 Q N -0.876 118.927 119.800 0.004 0.000 2.049 461 Q HA -0.062 4.278 4.340 -0.000 0.000 0.198 461 Q C 2.254 178.252 176.000 -0.002 0.000 0.971 461 Q CA 1.105 56.894 55.803 -0.023 0.000 0.833 461 Q CB -0.718 27.989 28.738 -0.050 0.000 0.896 461 Q HN 0.240 nan 8.270 nan 0.000 0.434 462 I N 0.731 121.309 120.570 0.013 0.000 2.163 462 I HA -0.307 3.863 4.170 -0.000 0.000 0.243 462 I C 2.210 178.345 176.117 0.031 0.000 1.085 462 I CA 1.347 62.632 61.300 -0.025 0.000 1.347 462 I CB -0.337 37.703 38.000 0.066 0.000 1.044 462 I HN 0.211 nan 8.210 nan 0.000 0.408 463 I N 0.385 121.037 120.570 0.136 0.000 2.286 463 I HA -0.282 3.888 4.170 -0.000 0.000 0.248 463 I C 2.631 178.773 176.117 0.041 0.000 1.115 463 I CA 1.385 62.786 61.300 0.169 0.000 1.392 463 I CB -0.373 37.733 38.000 0.175 0.000 1.065 463 I HN 0.301 nan 8.210 nan 0.000 0.418 464 E N 0.980 121.223 120.200 0.072 0.000 2.077 464 E HA -0.224 4.126 4.350 -0.000 0.000 0.193 464 E C 2.424 179.004 176.600 -0.033 0.000 0.989 464 E CA 0.919 57.334 56.400 0.025 0.000 0.800 464 E CB 0.120 29.887 29.700 0.112 0.000 0.746 464 E HN 0.237 nan 8.360 nan 0.000 0.452 465 R N 0.251 120.717 120.500 -0.056 0.000 2.081 465 R HA -0.101 4.239 4.340 -0.000 0.000 0.235 465 R C 2.466 178.681 176.300 -0.142 0.000 1.131 465 R CA 0.964 57.001 56.100 -0.105 0.000 0.960 465 R CB -0.505 29.701 30.300 -0.157 0.000 0.856 465 R HN 0.344 nan 8.270 nan 0.000 0.436 466 L N -0.931 120.182 121.223 -0.183 0.000 2.068 466 L HA -0.102 4.238 4.340 -0.000 0.000 0.204 466 L C 2.061 178.655 176.870 -0.459 0.000 1.076 466 L CA 1.143 55.768 54.840 -0.358 0.000 0.753 466 L CB -0.394 41.375 42.059 -0.484 0.000 0.910 466 L HN 0.287 nan 8.230 nan 0.000 0.439 467 H N -0.984 118.009 119.070 -0.129 0.000 2.855 467 H HA 0.298 4.854 4.556 0.000 0.000 0.259 467 H C 0.896 176.136 175.328 -0.146 0.000 0.972 467 H CA 0.789 56.751 56.048 -0.143 0.000 1.213 467 H CB 1.074 30.728 29.762 -0.180 0.000 1.451 467 H HN 0.317 nan 8.280 nan 0.000 0.484 468 G N 0.903 109.674 108.800 -0.049 0.000 2.662 468 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.686 468 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.686 468 G C 0.565 175.392 174.900 -0.122 0.000 1.271 468 G CA -0.221 44.844 45.100 -0.059 0.000 0.816 468 G HN 0.196 nan 8.290 nan 0.000 0.608 469 L N 0.960 122.170 121.223 -0.021 0.000 2.187 469 L HA -0.142 4.198 4.340 -0.000 0.000 0.213 469 L C 3.209 180.073 176.870 -0.011 0.000 1.100 469 L CA 2.342 57.225 54.840 0.072 0.000 0.765 469 L CB -0.529 41.641 42.059 0.186 0.000 0.904 469 L HN 0.944 nan 8.230 nan 0.000 0.437 470 S N -0.090 115.579 115.700 -0.052 0.000 2.442 470 S HA -0.169 4.301 4.470 -0.000 0.000 0.236 470 S C 2.103 176.615 174.600 -0.147 0.000 1.007 470 S CA 0.795 58.962 58.200 -0.055 0.000 0.965 470 S CB -0.369 62.798 63.200 -0.054 0.000 0.773 470 S HN 0.382 nan 8.310 nan 0.000 0.504 471 A N 0.736 123.364 122.820 -0.320 0.000 2.076 471 A HA 0.099 4.419 4.320 -0.000 0.000 0.220 471 A C 1.478 178.837 177.584 -0.375 0.000 1.160 471 A CA 1.125 52.889 52.037 -0.454 0.000 0.653 471 A CB -0.827 17.778 19.000 -0.659 0.000 0.801 471 A HN 0.607 nan 8.150 nan 0.000 0.455 472 F N -0.374 119.597 119.950 0.036 0.000 2.727 472 F HA 0.154 4.681 4.527 -0.000 0.000 0.302 472 F C 1.722 177.572 175.800 0.083 0.000 1.097 472 F CA 0.413 58.460 58.000 0.078 0.000 1.330 472 F CB 0.118 39.198 39.000 0.133 0.000 1.084 472 F HN 0.245 nan 8.300 nan 0.000 0.578 473 S N -1.346 114.453 115.700 0.165 0.000 2.960 473 S HA 0.306 4.776 4.470 -0.000 0.000 0.256 473 S C -0.040 174.629 174.600 0.116 0.000 1.017 473 S CA -0.370 57.915 58.200 0.141 0.000 1.144 473 S CB -0.619 62.652 63.200 0.117 0.000 1.109 473 S HN 0.044 nan 8.310 nan 0.000 0.638 474 L N 3.458 124.681 121.223 -0.001 0.000 2.453 474 L HA 0.412 4.752 4.340 -0.000 0.000 0.272 474 L C 0.543 177.322 176.870 -0.151 0.000 1.182 474 L CA 0.225 54.954 54.840 -0.185 0.000 0.858 474 L CB 0.053 41.847 42.059 -0.442 0.000 1.120 474 L HN 0.692 nan 8.230 nan 0.000 0.474 475 H N -0.822 118.013 119.070 -0.392 0.000 2.918 475 H HA 0.333 4.889 4.556 -0.000 0.000 0.303 475 H C -0.116 175.082 175.328 -0.217 0.000 1.380 475 H CA -0.596 55.315 56.048 -0.229 0.000 1.134 475 H CB 0.979 30.722 29.762 -0.032 0.000 1.842 475 H HN 0.469 nan 8.280 nan 0.000 0.533 476 S N -1.363 114.286 115.700 -0.086 0.000 3.356 476 S HA -0.280 4.190 4.470 -0.000 0.000 0.376 476 S C -0.605 173.977 174.600 -0.031 0.000 0.924 476 S CA 0.577 58.749 58.200 -0.046 0.000 1.316 476 S CB -2.983 60.117 63.200 -0.167 0.000 0.922 476 S HN 0.595 nan 8.310 nan 0.000 0.553 477 Y N 1.929 122.242 120.300 0.023 0.000 2.330 477 Y HA 0.431 4.981 4.550 -0.000 0.000 0.341 477 Y C 1.579 177.517 175.900 0.063 0.000 1.278 477 Y CA 0.205 58.332 58.100 0.045 0.000 1.453 477 Y CB 0.414 38.900 38.460 0.042 0.000 1.342 477 Y HN 0.773 nan 8.280 nan 0.000 0.590 478 S N 2.538 118.386 115.700 0.247 0.000 2.572 478 S HA 0.069 4.539 4.470 -0.000 0.000 0.279 478 S C -1.746 172.932 174.600 0.130 0.000 1.341 478 S CA -1.055 57.232 58.200 0.144 0.000 1.043 478 S CB 1.027 64.289 63.200 0.104 0.000 0.887 478 S HN 0.527 nan 8.310 nan 0.000 0.516 479 P HA 0.006 nan 4.420 nan 0.000 0.217 479 P C 1.677 179.011 177.300 0.057 0.000 1.150 479 P CA 1.676 64.818 63.100 0.070 0.000 0.832 479 P CB -0.618 31.115 31.700 0.054 0.000 0.787 480 G N 0.564 109.394 108.800 0.050 0.000 2.418 480 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.217 480 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.217 480 G C 1.683 176.606 174.900 0.038 0.000 1.158 480 G CA 1.045 46.166 45.100 0.036 0.000 0.771 480 G HN 0.313 nan 8.290 nan 0.000 0.545 481 E N 0.445 120.682 120.200 0.063 0.000 2.077 481 E HA -0.098 4.252 4.350 -0.000 0.000 0.193 481 E C 2.368 179.001 176.600 0.054 0.000 0.989 481 E CA 0.735 57.180 56.400 0.076 0.000 0.800 481 E CB -0.268 29.523 29.700 0.150 0.000 0.746 481 E HN 0.308 nan 8.360 nan 0.000 0.452 482 I N 1.221 121.825 120.570 0.057 0.000 2.394 482 I HA -0.173 3.997 4.170 -0.000 0.000 0.251 482 I C 1.718 177.847 176.117 0.019 0.000 1.136 482 I CA 1.218 62.535 61.300 0.029 0.000 1.425 482 I CB -1.422 36.606 38.000 0.047 0.000 1.079 482 I HN 0.256 nan 8.210 nan 0.000 0.425 483 N N 0.577 119.291 118.700 0.024 0.000 2.166 483 N HA -0.199 4.541 4.740 -0.000 0.000 0.186 483 N C 2.012 177.521 175.510 -0.001 0.000 1.019 483 N CA 0.705 53.764 53.050 0.014 0.000 0.856 483 N CB -0.075 38.422 38.487 0.017 0.000 0.993 483 N HN 0.296 nan 8.380 nan 0.000 0.426 484 R N 1.052 121.547 120.500 -0.008 0.000 2.075 484 R HA -0.045 4.295 4.340 -0.000 0.000 0.232 484 R C 1.855 178.118 176.300 -0.061 0.000 1.126 484 R CA 0.850 56.930 56.100 -0.034 0.000 0.963 484 R CB -0.117 30.158 30.300 -0.041 0.000 0.858 484 R HN 0.013 nan 8.270 nan 0.000 0.435 485 V N 1.171 121.054 119.914 -0.052 0.000 2.343 485 V HA -0.218 3.902 4.120 -0.000 0.000 0.247 485 V C 2.496 178.566 176.094 -0.039 0.000 1.051 485 V CA 1.884 64.143 62.300 -0.069 0.000 1.036 485 V CB -0.748 31.059 31.823 -0.025 0.000 0.654 485 V HN 0.548 nan 8.190 nan 0.000 0.451 486 A N -0.190 122.622 122.820 -0.013 0.000 1.883 486 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 486 A C 2.493 180.077 177.584 -0.000 0.000 1.186 486 A CA 2.503 54.542 52.037 0.004 0.000 0.624 486 A CB -0.869 18.139 19.000 0.013 0.000 0.822 486 A HN 0.512 nan 8.150 nan 0.000 0.444 487 S N -1.393 114.302 115.700 -0.009 0.000 2.382 487 S HA -0.213 4.257 4.470 -0.000 0.000 0.228 487 S C 2.029 176.622 174.600 -0.012 0.000 1.027 487 S CA 1.276 59.473 58.200 -0.006 0.000 0.991 487 S CB -0.869 62.324 63.200 -0.012 0.000 0.823 487 S HN 0.792 nan 8.310 nan 0.000 0.469 488 C N 1.884 121.160 119.300 -0.040 0.000 2.446 488 C HA 0.082 4.542 4.460 -0.000 0.000 0.277 488 C C 2.398 177.371 174.990 -0.029 0.000 1.275 488 C CA 0.363 59.348 59.018 -0.055 0.000 1.727 488 C CB -1.569 26.096 27.740 -0.126 0.000 2.010 488 C HN 0.569 nan 8.230 nan 0.000 0.486 489 L N 0.325 121.537 121.223 -0.018 0.000 2.083 489 L HA -0.100 4.240 4.340 -0.000 0.000 0.209 489 L C 3.012 179.884 176.870 0.002 0.000 1.083 489 L CA 1.529 56.373 54.840 0.007 0.000 0.752 489 L CB -0.878 41.206 42.059 0.042 0.000 0.899 489 L HN 0.365 nan 8.230 nan 0.000 0.433 490 R N 0.445 120.956 120.500 0.017 0.000 2.066 490 R HA -0.177 4.163 4.340 -0.000 0.000 0.232 490 R C 2.379 178.732 176.300 0.088 0.000 1.131 490 R CA 1.387 57.512 56.100 0.041 0.000 0.955 490 R CB -0.224 30.102 30.300 0.043 0.000 0.851 490 R HN 0.276 nan 8.270 nan 0.000 0.432 491 K N 0.521 120.966 120.400 0.075 0.000 2.057 491 K HA -0.141 4.179 4.320 -0.000 0.000 0.207 491 K C 1.550 178.274 176.600 0.207 0.000 1.049 491 K CA 1.218 57.576 56.287 0.118 0.000 0.931 491 K CB 0.115 32.650 32.500 0.060 0.000 0.714 491 K HN 0.003 nan 8.250 nan 0.000 0.440 492 L N -0.233 121.039 121.223 0.083 0.000 2.477 492 L HA 0.228 4.568 4.340 -0.000 0.000 0.220 492 L C 0.872 177.597 176.870 -0.241 0.000 1.106 492 L CA 1.228 56.091 54.840 0.038 0.000 0.851 492 L CB 0.290 42.357 42.059 0.014 0.000 0.994 492 L HN 0.475 nan 8.230 nan 0.000 0.462 493 G N 0.195 108.763 108.800 -0.387 0.000 2.291 493 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.271 493 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.271 493 G C -0.164 174.594 174.900 -0.237 0.000 1.099 493 G CA 0.124 44.853 45.100 -0.617 0.000 0.919 493 G HN 0.074 nan 8.290 nan 0.000 0.496 494 V N 0.647 120.515 119.914 -0.076 0.000 2.532 494 V HA 0.553 4.673 4.120 -0.000 0.000 0.295 494 V C -1.413 174.745 176.094 0.107 0.000 1.041 494 V CA -1.774 60.566 62.300 0.066 0.000 0.926 494 V CB 1.863 33.774 31.823 0.148 0.000 0.992 494 V HN 0.220 nan 8.190 nan 0.000 0.457 495 P HA 0.158 nan 4.420 nan 0.000 0.267 495 P C -2.475 174.927 177.300 0.170 0.000 1.200 495 P CA -0.680 62.404 63.100 -0.027 0.000 0.772 495 P CB -0.110 31.339 31.700 -0.419 0.000 0.855 496 P HA 0.030 nan 4.420 nan 0.000 0.277 496 P C 0.751 178.197 177.300 0.243 0.000 1.276 496 P CA -0.402 62.788 63.100 0.151 0.000 0.788 496 P CB 0.573 32.310 31.700 0.061 0.000 1.114 497 L N 0.618 121.967 121.223 0.210 0.000 2.127 497 L HA -0.153 4.187 4.340 -0.000 0.000 0.211 497 L C 2.769 179.735 176.870 0.160 0.000 1.089 497 L CA 1.832 56.812 54.840 0.233 0.000 0.757 497 L CB -1.223 40.924 42.059 0.146 0.000 0.899 497 L HN 0.357 nan 8.230 nan 0.000 0.434 498 R N -0.934 119.584 120.500 0.031 0.000 2.083 498 R HA -0.160 4.180 4.340 -0.000 0.000 0.237 498 R C 2.017 178.152 176.300 -0.275 0.000 1.137 498 R CA 2.309 58.328 56.100 -0.134 0.000 0.951 498 R CB -0.428 29.800 30.300 -0.119 0.000 0.851 498 R HN 0.369 nan 8.270 nan 0.000 0.434 499 V N -0.425 119.383 119.914 -0.177 0.000 2.307 499 V HA -0.233 3.887 4.120 -0.000 0.000 0.245 499 V C 1.914 177.903 176.094 -0.174 0.000 1.045 499 V CA 1.956 64.114 62.300 -0.237 0.000 1.024 499 V CB -0.673 30.926 31.823 -0.374 0.000 0.651 499 V HN 0.475 nan 8.190 nan 0.000 0.449 500 W N 0.058 121.398 121.300 0.068 0.000 2.402 500 W HA -0.062 4.598 4.660 0.000 0.000 0.286 500 W C 2.728 179.388 176.519 0.234 0.000 1.221 500 W CA 1.211 58.657 57.345 0.168 0.000 1.257 500 W CB -0.197 29.387 29.460 0.206 0.000 1.120 500 W HN 0.053 nan 8.180 nan 0.000 0.551 501 R N -0.027 120.705 120.500 0.387 0.000 2.081 501 R HA -0.164 4.176 4.340 -0.000 0.000 0.235 501 R C 1.766 178.144 176.300 0.130 0.000 1.131 501 R CA 1.969 58.222 56.100 0.255 0.000 0.960 501 R CB -0.745 29.659 30.300 0.172 0.000 0.856 501 R HN 0.336 nan 8.270 nan 0.000 0.436 502 H N -0.593 118.510 119.070 0.056 0.000 2.321 502 H HA -0.079 4.477 4.556 -0.000 0.000 0.300 502 H C 2.399 177.703 175.328 -0.040 0.000 1.087 502 H CA 1.572 57.611 56.048 -0.016 0.000 1.319 502 H CB 0.117 29.859 29.762 -0.033 0.000 1.379 502 H HN 0.208 nan 8.280 nan 0.000 0.501 503 R N 0.449 121.025 120.500 0.126 0.000 2.081 503 R HA -0.087 4.253 4.340 -0.000 0.000 0.235 503 R C 2.626 178.917 176.300 -0.015 0.000 1.131 503 R CA 0.925 57.060 56.100 0.057 0.000 0.960 503 R CB -0.217 30.144 30.300 0.101 0.000 0.856 503 R HN 0.257 nan 8.270 nan 0.000 0.436 504 A N 1.332 124.152 122.820 -0.000 0.000 1.933 504 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 504 A C 2.079 179.404 177.584 -0.433 0.000 1.175 504 A CA 1.202 53.062 52.037 -0.296 0.000 0.628 504 A CB -0.347 18.493 19.000 -0.267 0.000 0.814 504 A HN 0.221 nan 8.150 nan 0.000 0.444 505 R N -0.728 119.625 120.500 -0.245 0.000 2.096 505 R HA -0.093 4.247 4.340 -0.000 0.000 0.235 505 R C 2.606 178.794 176.300 -0.186 0.000 1.127 505 R CA 1.402 57.378 56.100 -0.207 0.000 0.968 505 R CB -0.384 29.852 30.300 -0.106 0.000 0.861 505 R HN 0.556 nan 8.270 nan 0.000 0.440 506 S N 0.259 115.867 115.700 -0.153 0.000 2.355 506 S HA -0.087 4.383 4.470 -0.000 0.000 0.222 506 S C 2.018 176.522 174.600 -0.162 0.000 1.031 506 S CA 1.116 59.238 58.200 -0.129 0.000 0.993 506 S CB -0.055 63.090 63.200 -0.093 0.000 0.859 506 S HN 0.106 nan 8.310 nan 0.000 0.453 507 V N 2.391 122.159 119.914 -0.243 0.000 2.343 507 V HA -0.105 4.015 4.120 -0.000 0.000 0.247 507 V C 2.701 178.604 176.094 -0.318 0.000 1.051 507 V CA 2.119 64.250 62.300 -0.283 0.000 1.036 507 V CB -0.797 30.765 31.823 -0.436 0.000 0.654 507 V HN 0.485 nan 8.190 nan 0.000 0.451 508 R N 0.290 120.516 120.500 -0.457 0.000 2.073 508 R HA -0.175 4.165 4.340 -0.000 0.000 0.234 508 R C 2.333 178.560 176.300 -0.121 0.000 1.134 508 R CA 1.733 57.675 56.100 -0.263 0.000 0.952 508 R CB -0.469 29.680 30.300 -0.251 0.000 0.850 508 R HN 0.472 nan 8.270 nan 0.000 0.433 509 A N 1.319 124.063 122.820 -0.126 0.000 1.865 509 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 509 A C 2.215 179.770 177.584 -0.049 0.000 1.191 509 A CA 1.630 53.620 52.037 -0.078 0.000 0.623 509 A CB -0.534 18.419 19.000 -0.079 0.000 0.826 509 A HN 0.385 nan 8.150 nan 0.000 0.444 510 R N -0.742 119.728 120.500 -0.050 0.000 2.120 510 R HA -0.003 4.337 4.340 -0.000 0.000 0.234 510 R C 2.006 178.314 176.300 0.013 0.000 1.123 510 R CA 1.258 57.347 56.100 -0.018 0.000 0.975 510 R CB -0.451 29.838 30.300 -0.017 0.000 0.866 510 R HN 0.518 nan 8.270 nan 0.000 0.446 511 L N 0.439 121.675 121.223 0.022 0.000 2.156 511 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 511 L C 2.249 179.148 176.870 0.049 0.000 1.095 511 L CA 0.906 55.787 54.840 0.069 0.000 0.770 511 L CB -0.270 41.855 42.059 0.110 0.000 0.914 511 L HN 0.194 nan 8.230 nan 0.000 0.439 512 L N -0.530 120.704 121.223 0.019 0.000 2.056 512 L HA -0.165 4.175 4.340 -0.000 0.000 0.207 512 L C 2.795 179.672 176.870 0.011 0.000 1.078 512 L CA 1.530 56.376 54.840 0.010 0.000 0.749 512 L CB -0.682 41.370 42.059 -0.012 0.000 0.901 512 L HN 0.389 nan 8.230 nan 0.000 0.433 513 S N -0.964 114.740 115.700 0.006 0.000 2.500 513 S HA -0.200 4.270 4.470 -0.000 0.000 0.239 513 S C 1.701 176.311 174.600 0.016 0.000 0.989 513 S CA 0.828 59.031 58.200 0.006 0.000 0.951 513 S CB -0.232 62.967 63.200 -0.001 0.000 0.759 513 S HN 0.515 nan 8.310 nan 0.000 0.523 514 Q N 0.792 120.609 119.800 0.028 0.000 2.402 514 Q HA 0.320 4.660 4.340 -0.000 0.000 0.206 514 Q C 1.354 177.377 176.000 0.038 0.000 0.919 514 Q CA 0.158 55.983 55.803 0.037 0.000 0.923 514 Q CB 0.006 28.776 28.738 0.053 0.000 1.048 514 Q HN 0.724 nan 8.270 nan 0.000 0.515 515 G N 0.415 109.236 108.800 0.035 0.000 2.692 515 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.248 515 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.248 515 G C 0.448 175.375 174.900 0.045 0.000 1.340 515 G CA -0.237 44.883 45.100 0.035 0.000 0.896 515 G HN 0.780 nan 8.290 nan 0.000 0.570 516 G N -1.345 107.479 108.800 0.041 0.000 2.569 516 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.259 516 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.259 516 G C 1.075 176.007 174.900 0.053 0.000 1.263 516 G CA 1.217 46.344 45.100 0.045 0.000 0.928 516 G HN 1.540 nan 8.290 nan 0.000 0.572 517 R N 0.310 120.845 120.500 0.059 0.000 2.152 517 R HA 0.078 4.418 4.340 -0.000 0.000 0.232 517 R C 3.087 179.444 176.300 0.094 0.000 1.117 517 R CA 1.831 57.971 56.100 0.067 0.000 0.981 517 R CB -0.558 29.785 30.300 0.073 0.000 0.870 517 R HN 0.745 nan 8.270 nan 0.000 0.451 518 A N 1.765 124.650 122.820 0.108 0.000 1.902 518 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 518 A C 2.427 180.077 177.584 0.110 0.000 1.181 518 A CA 1.608 53.730 52.037 0.140 0.000 0.623 518 A CB -0.488 18.591 19.000 0.131 0.000 0.818 518 A HN 0.370 nan 8.150 nan 0.000 0.443 519 A N -1.176 121.691 122.820 0.078 0.000 1.969 519 A HA -0.029 4.291 4.320 -0.000 0.000 0.218 519 A C 2.238 179.861 177.584 0.065 0.000 1.169 519 A CA 2.095 54.167 52.037 0.059 0.000 0.635 519 A CB -1.034 17.992 19.000 0.043 0.000 0.810 519 A HN 0.421 nan 8.150 nan 0.000 0.445 520 T N -0.821 113.781 114.554 0.080 0.000 2.777 520 T HA -0.159 4.191 4.350 -0.000 0.000 0.266 520 T C 1.906 176.662 174.700 0.093 0.000 1.040 520 T CA 1.503 63.674 62.100 0.118 0.000 1.141 520 T CB -0.611 68.287 68.868 0.051 0.000 0.868 520 T HN 0.589 nan 8.240 nan 0.000 0.444 521 C N 1.416 120.736 119.300 0.032 0.000 2.413 521 C HA 0.007 4.467 4.460 -0.000 0.000 0.276 521 C C 3.104 178.039 174.990 -0.093 0.000 1.236 521 C CA 0.594 59.561 59.018 -0.085 0.000 1.735 521 C CB -1.518 26.183 27.740 -0.064 0.000 2.031 521 C HN 0.717 nan 8.230 nan 0.000 0.474 522 G N -0.066 108.762 108.800 0.046 0.000 2.440 522 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.218 522 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.218 522 G C 1.666 176.592 174.900 0.044 0.000 1.154 522 G CA 1.133 46.317 45.100 0.140 0.000 0.767 522 G HN 0.644 nan 8.290 nan 0.000 0.552 523 K N -1.037 119.345 120.400 -0.030 0.000 2.062 523 K HA -0.007 4.313 4.320 -0.000 0.000 0.205 523 K C 2.111 178.506 176.600 -0.342 0.000 1.051 523 K CA 0.863 57.050 56.287 -0.167 0.000 0.941 523 K CB -0.152 32.237 32.500 -0.185 0.000 0.719 523 K HN 0.426 nan 8.250 nan 0.000 0.440 524 Y N 0.394 120.484 120.300 -0.349 0.000 2.301 524 Y HA 0.059 4.609 4.550 -0.000 0.000 0.295 524 Y C 1.908 177.459 175.900 -0.582 0.000 1.126 524 Y CA 0.544 58.248 58.100 -0.661 0.000 1.154 524 Y CB 0.057 37.821 38.460 -1.161 0.000 1.075 524 Y HN -0.094 nan 8.280 nan 0.000 0.534 525 L N -1.641 119.357 121.223 -0.376 0.000 2.217 525 L HA -0.120 4.220 4.340 -0.000 0.000 0.211 525 L C 0.605 177.199 176.870 -0.461 0.000 1.107 525 L CA 1.240 55.816 54.840 -0.441 0.000 0.783 525 L CB -0.263 41.251 42.059 -0.909 0.000 0.919 525 L HN 0.181 nan 8.230 nan 0.000 0.442 526 F N -1.851 118.035 119.950 -0.107 0.000 2.735 526 F HA 0.179 4.706 4.527 -0.000 0.000 0.308 526 F C 1.708 177.187 175.800 -0.536 0.000 1.112 526 F CA -0.464 57.273 58.000 -0.438 0.000 1.235 526 F CB -0.676 38.092 39.000 -0.388 0.000 1.027 526 F HN 0.018 nan 8.300 nan 0.000 0.528 527 N N 0.954 119.572 118.700 -0.136 0.000 2.453 527 N HA -0.156 4.584 4.740 -0.000 0.000 0.183 527 N C 1.800 177.284 175.510 -0.043 0.000 1.041 527 N CA 1.307 54.295 53.050 -0.103 0.000 0.900 527 N CB -0.030 38.414 38.487 -0.072 0.000 0.961 527 N HN 0.576 nan 8.380 nan 0.000 0.443 528 W N 0.056 121.402 121.300 0.077 0.000 2.519 528 W HA 0.148 4.808 4.660 -0.000 0.000 0.266 528 W C 1.412 177.987 176.519 0.094 0.000 1.253 528 W CA 0.502 57.897 57.345 0.083 0.000 1.274 528 W CB -0.600 28.924 29.460 0.105 0.000 1.114 528 W HN -0.038 nan 8.180 nan 0.000 0.596 529 A N 1.595 124.005 122.820 -0.684 0.000 2.072 529 A HA 0.171 4.491 4.320 -0.000 0.000 0.216 529 A C 1.119 178.571 177.584 -0.219 0.000 1.156 529 A CA 1.133 52.785 52.037 -0.641 0.000 0.701 529 A CB -0.846 17.534 19.000 -1.034 0.000 0.816 529 A HN 0.129 nan 8.150 nan 0.000 0.458 530 V N -2.170 117.646 119.914 -0.164 0.000 2.612 530 V HA 0.467 4.587 4.120 -0.000 0.000 0.301 530 V C 0.823 176.895 176.094 -0.038 0.000 1.046 530 V CA -0.289 61.957 62.300 -0.090 0.000 0.946 530 V CB 1.607 33.369 31.823 -0.101 0.000 1.003 530 V HN 0.513 nan 8.190 nan 0.000 0.459 531 K N 1.529 121.916 120.400 -0.023 0.000 2.116 531 K HA 0.094 4.414 4.320 -0.000 0.000 0.203 531 K C 0.666 177.253 176.600 -0.021 0.000 1.052 531 K CA 0.940 57.222 56.287 -0.009 0.000 0.952 531 K CB -0.265 32.234 32.500 -0.001 0.000 0.729 531 K HN 0.634 nan 8.250 nan 0.000 0.446 532 T N 2.381 116.917 114.554 -0.031 0.000 2.727 532 T HA 0.242 4.592 4.350 -0.000 0.000 0.298 532 T C -0.706 173.966 174.700 -0.048 0.000 0.942 532 T CA -0.545 61.533 62.100 -0.036 0.000 0.997 532 T CB 1.064 69.911 68.868 -0.035 0.000 0.917 532 T HN 0.006 nan 8.240 nan 0.000 0.487 533 K N 2.784 123.155 120.400 -0.048 0.000 2.218 533 K HA 0.488 4.808 4.320 -0.000 0.000 0.276 533 K C -0.071 176.488 176.600 -0.069 0.000 1.022 533 K CA -0.655 55.598 56.287 -0.058 0.000 0.946 533 K CB 0.395 32.866 32.500 -0.049 0.000 1.000 533 K HN 0.271 nan 8.250 nan 0.000 0.468 534 L N 2.877 124.043 121.223 -0.096 0.000 2.479 534 L HA 0.175 4.515 4.340 -0.000 0.000 0.249 534 L C 1.820 178.622 176.870 -0.113 0.000 1.178 534 L CA 0.169 54.941 54.840 -0.113 0.000 0.811 534 L CB 0.343 42.304 42.059 -0.162 0.000 1.187 534 L HN 0.650 nan 8.230 nan 0.000 0.480 535 K N 0.803 121.139 120.400 -0.107 0.000 2.031 535 K HA -0.055 4.265 4.320 -0.000 0.000 0.205 535 K C 0.104 176.651 176.600 -0.088 0.000 1.049 535 K CA 0.481 56.724 56.287 -0.073 0.000 0.939 535 K CB -0.579 31.894 32.500 -0.046 0.000 0.717 535 K HN 0.277 nan 8.250 nan 0.000 0.438 536 L N 2.698 123.812 121.223 -0.182 0.000 3.295 536 L HA -0.152 4.188 4.340 -0.000 0.000 0.686 536 L C -0.031 176.878 176.870 0.065 0.000 1.088 536 L CA 1.111 55.814 54.840 -0.228 0.000 1.255 536 L CB -2.224 39.694 42.059 -0.235 0.000 1.713 536 L HN 0.706 nan 8.230 nan 0.000 0.868 537 T N 0.412 115.045 114.554 0.130 0.000 2.862 537 T HA 0.807 5.157 4.350 -0.000 0.000 0.276 537 T C -2.297 172.545 174.700 0.237 0.000 0.974 537 T CA -1.971 60.223 62.100 0.155 0.000 0.966 537 T CB 1.201 70.129 68.868 0.100 0.000 1.072 537 T HN 0.251 nan 8.240 nan 0.000 0.538 538 P HA 0.210 nan 4.420 nan 0.000 0.265 538 P C -0.540 176.799 177.300 0.066 0.000 1.193 538 P CA -0.069 63.096 63.100 0.108 0.000 0.765 538 P CB 0.069 31.808 31.700 0.064 0.000 0.823 539 I N 6.268 126.824 120.570 -0.024 0.000 2.379 539 I HA 0.105 4.275 4.170 -0.000 0.000 0.290 539 I C -0.959 175.129 176.117 -0.048 0.000 1.063 539 I CA -1.731 59.510 61.300 -0.099 0.000 1.351 539 I CB 1.093 38.930 38.000 -0.271 0.000 1.410 539 I HN 0.326 nan 8.210 nan 0.000 0.505 540 P HA -0.158 nan 4.420 nan 0.000 0.226 540 P C 0.991 178.276 177.300 -0.025 0.000 1.146 540 P CA 0.849 63.941 63.100 -0.014 0.000 0.773 540 P CB 0.296 31.995 31.700 -0.002 0.000 0.772 541 A N -0.341 122.456 122.820 -0.038 0.000 2.218 541 A HA 0.379 4.699 4.320 -0.000 0.000 0.209 541 A C 2.265 179.819 177.584 -0.050 0.000 1.168 541 A CA 0.764 52.778 52.037 -0.039 0.000 0.804 541 A CB -0.795 18.183 19.000 -0.037 0.000 0.834 541 A HN 0.190 nan 8.150 nan 0.000 0.482 542 A N 0.664 123.451 122.820 -0.056 0.000 1.930 542 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 542 A C 2.301 179.846 177.584 -0.066 0.000 1.175 542 A CA 1.945 53.945 52.037 -0.062 0.000 0.627 542 A CB -0.732 18.238 19.000 -0.050 0.000 0.815 542 A HN 0.905 nan 8.150 nan 0.000 0.443 543 S N -0.149 115.521 115.700 -0.050 0.000 2.603 543 S HA -0.042 4.428 4.470 -0.000 0.000 0.220 543 S C 1.450 176.020 174.600 -0.050 0.000 0.967 543 S CA 0.665 58.836 58.200 -0.048 0.000 0.920 543 S CB -0.284 62.897 63.200 -0.032 0.000 0.773 543 S HN 0.834 nan 8.310 nan 0.000 0.529 544 Q N 0.397 120.166 119.800 -0.051 0.000 2.319 544 Q HA 0.401 4.741 4.340 -0.000 0.000 0.202 544 Q C 0.162 176.127 176.000 -0.059 0.000 0.896 544 Q CA -0.265 55.511 55.803 -0.045 0.000 0.942 544 Q CB -0.271 28.448 28.738 -0.032 0.000 1.083 544 Q HN 0.441 nan 8.270 nan 0.000 0.510 545 L N 1.900 123.069 121.223 -0.088 0.000 2.397 545 L HA 0.184 4.524 4.340 -0.000 0.000 0.271 545 L C -0.026 176.757 176.870 -0.144 0.000 1.148 545 L CA -0.464 54.300 54.840 -0.125 0.000 0.825 545 L CB 0.729 42.675 42.059 -0.189 0.000 1.117 545 L HN 0.121 nan 8.230 nan 0.000 0.456 546 D N 3.624 123.947 120.400 -0.129 0.000 2.522 546 D HA 0.188 4.828 4.640 -0.000 0.000 0.218 546 D C 0.018 176.198 176.300 -0.199 0.000 1.149 546 D CA -0.182 53.752 54.000 -0.109 0.000 0.981 546 D CB 0.700 41.478 40.800 -0.035 0.000 1.041 546 D HN 0.192 nan 8.370 nan 0.000 0.518 547 L N 2.218 123.251 121.223 -0.317 0.000 2.872 547 L HA 0.093 4.433 4.340 -0.000 0.000 0.245 547 L C 2.165 178.914 176.870 -0.200 0.000 1.211 547 L CA 0.117 54.605 54.840 -0.586 0.000 1.013 547 L CB -0.191 41.415 42.059 -0.754 0.000 1.326 547 L HN 0.255 nan 8.230 nan 0.000 0.525 548 S N -1.554 114.111 115.700 -0.057 0.000 2.402 548 S HA -0.051 4.419 4.470 -0.000 0.000 0.229 548 S C 1.694 176.355 174.600 0.103 0.000 1.021 548 S CA 1.033 59.246 58.200 0.021 0.000 0.974 548 S CB -0.351 62.856 63.200 0.012 0.000 0.800 548 S HN 0.384 nan 8.310 nan 0.000 0.484 549 G N -1.215 107.689 108.800 0.172 0.000 3.233 549 G HA2 0.262 4.222 3.960 -0.000 0.000 0.234 549 G HA3 0.262 4.222 3.960 -0.000 0.000 0.234 549 G C 0.544 175.654 174.900 0.349 0.000 1.137 549 G CA -0.413 44.823 45.100 0.227 0.000 0.763 549 G HN 0.422 nan 8.290 nan 0.000 0.549 550 W N 0.643 121.885 121.300 -0.097 0.000 2.381 550 W HA 0.280 4.940 4.660 -0.000 0.000 0.301 550 W C 0.287 176.360 176.519 -0.743 0.000 1.205 550 W CA 0.430 57.457 57.345 -0.530 0.000 1.285 550 W CB -0.167 28.792 29.460 -0.835 0.000 1.133 550 W HN 0.095 nan 8.180 nan 0.000 0.521 551 F N -0.600 119.525 119.950 0.293 0.000 2.531 551 F HA 0.303 4.830 4.527 -0.000 0.000 0.333 551 F C 0.451 176.391 175.800 0.234 0.000 1.292 551 F CA -0.466 57.693 58.000 0.265 0.000 1.184 551 F CB 0.072 39.187 39.000 0.192 0.000 1.426 551 F HN -0.407 nan 8.300 nan 0.000 0.559 552 V N 0.085 120.204 119.914 0.343 0.000 2.996 552 V HA 0.634 4.754 4.120 -0.000 0.000 0.235 552 V C 0.787 177.027 176.094 0.243 0.000 1.205 552 V CA 0.520 62.968 62.300 0.247 0.000 1.225 552 V CB 0.517 32.469 31.823 0.215 0.000 0.995 552 V HN 0.451 nan 8.190 nan 0.000 0.484 553 A N -0.537 122.365 122.820 0.136 0.000 2.609 553 A HA 0.769 5.089 4.320 -0.000 0.000 0.291 553 A C -0.289 176.930 177.584 -0.609 0.000 1.096 553 A CA 0.097 52.075 52.037 -0.099 0.000 0.684 553 A CB 1.059 19.871 19.000 -0.312 0.000 1.282 553 A HN 0.411 nan 8.150 nan 0.000 0.412 554 G N -1.132 107.037 108.800 -1.052 0.000 2.377 554 G HA2 0.528 4.488 3.960 -0.000 0.000 0.299 554 G HA3 0.528 4.488 3.960 -0.000 0.000 0.299 554 G C -0.788 173.502 174.900 -1.016 0.000 1.150 554 G CA -0.041 44.098 45.100 -1.601 0.000 0.847 554 G HN 0.598 nan 8.290 nan 0.000 0.501 555 Y N 0.343 120.439 120.300 -0.340 0.000 2.779 555 Y HA 0.251 4.801 4.550 -0.000 0.000 0.251 555 Y C 1.303 177.132 175.900 -0.118 0.000 1.145 555 Y CA -0.909 57.091 58.100 -0.167 0.000 1.201 555 Y CB 0.287 38.679 38.460 -0.113 0.000 1.281 555 Y HN 0.379 nan 8.280 nan 0.000 0.563 556 S N 1.129 116.813 115.700 -0.027 0.000 2.629 556 S HA 0.269 4.739 4.470 -0.000 0.000 0.302 556 S C 1.377 176.004 174.600 0.046 0.000 1.244 556 S CA 1.341 59.553 58.200 0.019 0.000 1.098 556 S CB -0.094 63.119 63.200 0.022 0.000 0.858 556 S HN 0.917 nan 8.310 nan 0.000 0.502 557 G N 3.092 111.919 108.800 0.045 0.000 2.199 557 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.254 557 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.254 557 G C 0.750 175.686 174.900 0.059 0.000 0.982 557 G CA 0.154 45.285 45.100 0.052 0.000 0.632 557 G HN 1.048 nan 8.290 nan 0.000 0.529 558 G N -0.094 108.748 108.800 0.069 0.000 3.141 558 G HA2 0.401 4.361 3.960 -0.000 0.000 0.218 558 G HA3 0.401 4.361 3.960 -0.000 0.000 0.218 558 G C 0.458 175.379 174.900 0.034 0.000 1.170 558 G CA 1.155 46.308 45.100 0.090 0.000 0.769 558 G HN 1.241 nan 8.290 nan 0.000 0.546 559 D N -0.456 119.935 120.400 -0.016 0.000 2.699 559 D HA -0.163 4.477 4.640 -0.000 0.000 0.239 559 D C -0.097 176.138 176.300 -0.109 0.000 1.136 559 D CA 0.327 54.291 54.000 -0.060 0.000 0.668 559 D CB -1.196 39.583 40.800 -0.035 0.000 1.060 559 D HN 0.101 nan 8.370 nan 0.000 0.429 560 I N 1.300 121.762 120.570 -0.181 0.000 2.412 560 I HA 0.420 4.590 4.170 -0.000 0.000 0.296 560 I C 0.022 175.923 176.117 -0.360 0.000 0.987 560 I CA -0.792 60.302 61.300 -0.343 0.000 1.180 560 I CB 1.235 38.843 38.000 -0.655 0.000 1.340 560 I HN 0.141 nan 8.210 nan 0.000 0.455 561 Y N 5.602 125.607 120.300 -0.493 0.000 2.442 561 Y HA 0.508 5.058 4.550 -0.000 0.000 0.344 561 Y C -1.012 174.648 175.900 -0.400 0.000 0.976 561 Y CA -0.497 57.326 58.100 -0.462 0.000 1.040 561 Y CB 1.507 39.796 38.460 -0.284 0.000 1.228 561 Y HN 0.605 nan 8.280 nan 0.000 0.451 562 H N 3.137 121.557 119.070 -1.082 0.000 2.690 562 H HA 0.532 5.088 4.556 -0.000 0.000 0.368 562 H C -0.177 174.651 175.328 -0.834 0.000 1.150 562 H CA -0.466 55.087 56.048 -0.824 0.000 1.174 562 H CB 2.021 31.322 29.762 -0.768 0.000 1.684 562 H HN 0.908 nan 8.280 nan 0.000 0.538 563 S N 0.000 115.534 115.700 -0.276 0.000 2.498 563 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 563 S CA 0.000 58.111 58.200 -0.148 0.000 1.107 563 S CB 0.000 63.174 63.200 -0.043 0.000 0.593 563 S HN 0.000 nan 8.310 nan 0.000 0.517