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 2dxs_1_B DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCXXXXXX XXXXXXXXXX XXXXXXVYAT TSRSAGLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSVEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSKAVNHIH SVWKDLLEDT VTPIDTTIMA KNEVFCVXXX DATA SEQUENCE XXGRKPARLI 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 AASQ 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 0.000 174.521 174.600 -0.132 0.000 1.055 1 S CA 0.000 58.142 58.200 -0.097 0.000 1.107 1 S CB 0.000 63.133 63.200 -0.111 0.000 0.593 2 M N 3.065 122.592 119.600 -0.122 0.000 2.238 2 M HA 0.243 4.723 4.480 -0.000 0.000 0.350 2 M C 1.864 178.020 176.300 -0.240 0.000 1.321 2 M CA -0.032 55.183 55.300 -0.141 0.000 1.097 2 M CB 0.501 33.053 32.600 -0.081 0.000 1.713 2 M HN 1.071 nan 8.290 nan 0.000 0.455 3 S N 2.754 118.251 115.700 -0.340 0.000 2.423 3 S HA -0.047 4.423 4.470 -0.000 0.000 0.231 3 S C 0.038 174.268 174.600 -0.617 0.000 1.014 3 S CA 0.757 58.661 58.200 -0.492 0.000 0.965 3 S CB -0.058 62.797 63.200 -0.576 0.000 0.785 3 S HN 0.629 nan 8.310 nan 0.000 0.495 4 Y N -0.054 120.083 120.300 -0.271 0.000 2.513 4 Y HA 0.529 5.078 4.550 -0.000 0.000 0.340 4 Y C -0.395 175.201 175.900 -0.506 0.000 1.055 4 Y CA -0.935 56.879 58.100 -0.477 0.000 1.020 4 Y CB 2.109 40.183 38.460 -0.643 0.000 1.301 4 Y HN -0.137 nan 8.280 nan 0.000 0.453 5 T N 2.101 116.421 114.554 -0.390 0.000 2.824 5 T HA 0.390 4.739 4.350 -0.000 0.000 0.282 5 T C -1.263 173.242 174.700 -0.324 0.000 0.993 5 T CA -0.732 61.218 62.100 -0.251 0.000 0.967 5 T CB 0.494 69.317 68.868 -0.075 0.000 0.960 5 T HN 0.432 nan 8.240 nan 0.000 0.441 6 W N 2.076 123.455 121.300 0.131 0.000 2.551 6 W HA 0.540 5.199 4.660 -0.000 0.000 0.330 6 W C 0.753 177.324 176.519 0.086 0.000 1.063 6 W CA -0.909 56.493 57.345 0.096 0.000 1.222 6 W CB 1.174 30.666 29.460 0.054 0.000 1.349 6 W HN 0.648 nan 8.180 nan 0.000 0.536 7 T N -1.763 112.986 114.554 0.326 0.000 2.944 7 T HA 0.446 4.796 4.350 -0.000 0.000 0.284 7 T C 1.128 175.935 174.700 0.178 0.000 1.010 7 T CA -0.242 61.983 62.100 0.208 0.000 1.025 7 T CB 1.519 70.478 68.868 0.152 0.000 1.079 7 T HN 0.631 nan 8.240 nan 0.000 0.516 8 G N 0.166 109.032 108.800 0.111 0.000 2.498 8 G HA2 0.222 4.182 3.960 -0.000 0.000 0.219 8 G HA3 0.222 4.182 3.960 -0.000 0.000 0.219 8 G C 0.801 175.727 174.900 0.043 0.000 1.119 8 G CA 0.177 45.317 45.100 0.066 0.000 0.766 8 G HN 1.280 nan 8.290 nan 0.000 0.552 9 A N 0.488 123.342 122.820 0.057 0.000 2.573 9 A HA 0.358 4.678 4.320 -0.000 0.000 0.250 9 A C 0.659 178.253 177.584 0.016 0.000 1.049 9 A CA -0.039 52.019 52.037 0.036 0.000 0.767 9 A CB -0.077 18.949 19.000 0.043 0.000 0.965 9 A HN 0.343 nan 8.150 nan 0.000 0.514 10 L N 2.513 123.732 121.223 -0.008 0.000 2.483 10 L HA 0.091 4.431 4.340 -0.000 0.000 0.275 10 L C 0.457 177.308 176.870 -0.031 0.000 1.220 10 L CA -0.057 54.761 54.840 -0.036 0.000 0.833 10 L CB 0.248 42.289 42.059 -0.030 0.000 1.102 10 L HN 0.558 nan 8.230 nan 0.000 0.490 11 I N 1.889 122.420 120.570 -0.064 0.000 2.406 11 I HA 0.025 4.195 4.170 -0.000 0.000 0.293 11 I C 0.734 176.838 176.117 -0.022 0.000 1.101 11 I CA -0.099 61.177 61.300 -0.040 0.000 1.334 11 I CB 0.363 38.319 38.000 -0.074 0.000 1.421 11 I HN 0.666 nan 8.210 nan 0.000 0.513 12 T N 4.427 118.979 114.554 -0.004 0.000 2.913 12 T HA 0.444 4.794 4.350 -0.000 0.000 0.287 12 T C -2.314 172.395 174.700 0.015 0.000 1.008 12 T CA -1.824 60.278 62.100 0.003 0.000 1.067 12 T CB 1.169 70.039 68.868 0.004 0.000 0.996 12 T HN 0.179 nan 8.240 nan 0.000 0.513 13 P HA 0.294 nan 4.420 nan 0.000 0.271 13 P C -0.051 177.269 177.300 0.033 0.000 1.233 13 P CA -0.697 62.420 63.100 0.027 0.000 0.789 13 P CB 0.182 31.897 31.700 0.026 0.000 0.951 38 Y N 2.396 122.798 120.300 0.169 0.000 2.644 38 Y HA 1.002 5.552 4.550 0.000 0.000 0.338 38 Y C -0.304 175.561 175.900 -0.059 0.000 1.119 38 Y CA -1.271 56.924 58.100 0.159 0.000 1.060 38 Y CB 1.676 40.214 38.460 0.131 0.000 1.294 38 Y HN 0.789 nan 8.280 nan 0.000 0.472 39 A N 0.979 123.774 122.820 -0.043 0.000 2.350 39 A HA 0.686 5.006 4.320 -0.000 0.000 0.324 39 A C -0.212 177.403 177.584 0.051 0.000 1.118 39 A CA -0.418 51.457 52.037 -0.270 0.000 0.783 39 A CB 0.486 19.283 19.000 -0.338 0.000 1.236 39 A HN 1.069 nan 8.150 nan 0.000 0.457 40 T N 0.117 114.683 114.554 0.021 0.000 2.918 40 T HA 0.550 4.900 4.350 -0.000 0.000 0.302 40 T C 0.438 175.190 174.700 0.087 0.000 1.045 40 T CA 0.404 62.593 62.100 0.148 0.000 1.114 40 T CB 0.733 69.704 68.868 0.171 0.000 0.965 40 T HN 1.434 nan 8.240 nan 0.000 0.540 41 T N -2.097 112.515 114.554 0.096 0.000 2.804 41 T HA 0.474 4.824 4.350 -0.000 0.000 0.290 41 T C 1.302 176.031 174.700 0.048 0.000 1.099 41 T CA -0.277 61.863 62.100 0.066 0.000 1.011 41 T CB 1.127 70.037 68.868 0.071 0.000 1.291 41 T HN 0.678 nan 8.240 nan 0.000 0.523 42 S N -0.374 115.347 115.700 0.035 0.000 2.537 42 S HA -0.062 4.408 4.470 -0.000 0.000 0.240 42 S C 1.634 176.235 174.600 0.002 0.000 0.981 42 S CA 0.215 58.425 58.200 0.016 0.000 0.948 42 S CB -0.615 62.594 63.200 0.015 0.000 0.759 42 S HN 0.687 nan 8.310 nan 0.000 0.531 43 R N 1.347 121.857 120.500 0.015 0.000 2.193 43 R HA 0.058 4.398 4.340 -0.000 0.000 0.213 43 R C 2.041 178.337 176.300 -0.005 0.000 1.055 43 R CA 1.188 57.291 56.100 0.006 0.000 0.995 43 R CB -0.213 30.099 30.300 0.020 0.000 0.893 43 R HN 0.680 nan 8.270 nan 0.000 0.459 44 S N -0.610 115.093 115.700 0.004 0.000 2.556 44 S HA 0.191 4.661 4.470 -0.000 0.000 0.216 44 S C 1.899 176.478 174.600 -0.036 0.000 0.970 44 S CA 0.234 58.429 58.200 -0.007 0.000 0.912 44 S CB 0.757 63.970 63.200 0.023 0.000 0.790 44 S HN 0.234 nan 8.310 nan 0.000 0.504 45 A N 2.162 124.952 122.820 -0.050 0.000 1.927 45 A HA 0.036 4.356 4.320 -0.000 0.000 0.220 45 A C 2.284 179.767 177.584 -0.169 0.000 1.185 45 A CA 1.869 53.849 52.037 -0.096 0.000 0.639 45 A CB -1.758 17.180 19.000 -0.104 0.000 0.820 45 A HN 0.678 nan 8.150 nan 0.000 0.451 46 G N -0.535 108.166 108.800 -0.166 0.000 2.418 46 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.217 46 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.217 46 G C 1.359 176.170 174.900 -0.149 0.000 1.158 46 G CA 1.141 46.118 45.100 -0.204 0.000 0.771 46 G HN 0.388 nan 8.290 nan 0.000 0.545 47 L N 0.382 121.551 121.223 -0.090 0.000 2.042 47 L HA -0.005 4.335 4.340 -0.000 0.000 0.210 47 L C 2.731 179.573 176.870 -0.047 0.000 1.076 47 L CA 1.633 56.439 54.840 -0.056 0.000 0.749 47 L CB -0.622 41.416 42.059 -0.035 0.000 0.893 47 L HN 0.158 nan 8.230 nan 0.000 0.432 48 R N -0.251 120.216 120.500 -0.055 0.000 2.073 48 R HA -0.099 4.241 4.340 -0.000 0.000 0.229 48 R C 2.220 178.496 176.300 -0.040 0.000 1.120 48 R CA 1.307 57.390 56.100 -0.028 0.000 0.967 48 R CB -0.358 29.932 30.300 -0.016 0.000 0.862 48 R HN 0.449 nan 8.270 nan 0.000 0.436 49 Q N 0.174 119.882 119.800 -0.154 0.000 2.112 49 Q HA -0.187 4.153 4.340 -0.000 0.000 0.206 49 Q C 1.983 177.985 176.000 0.003 0.000 0.987 49 Q CA 1.846 57.523 55.803 -0.210 0.000 0.858 49 Q CB -0.157 28.158 28.738 -0.704 0.000 0.905 49 Q HN 0.284 nan 8.270 nan 0.000 0.420 50 K N 0.623 121.009 120.400 -0.023 0.000 2.063 50 K HA -0.199 4.121 4.320 -0.000 0.000 0.208 50 K C 2.092 178.764 176.600 0.119 0.000 1.048 50 K CA 1.223 57.545 56.287 0.058 0.000 0.928 50 K CB -0.053 32.456 32.500 0.015 0.000 0.713 50 K HN -0.078 nan 8.250 nan 0.000 0.442 51 K N 1.065 121.521 120.400 0.093 0.000 2.026 51 K HA -0.112 4.208 4.320 -0.000 0.000 0.208 51 K C 1.723 178.458 176.600 0.226 0.000 1.048 51 K CA 1.451 57.806 56.287 0.113 0.000 0.929 51 K CB -0.193 32.351 32.500 0.074 0.000 0.713 51 K HN 0.108 nan 8.250 nan 0.000 0.439 52 V N -1.814 118.263 119.914 0.271 0.000 3.573 52 V HA 0.189 4.309 4.120 -0.000 0.000 0.270 52 V C 0.018 176.461 176.094 0.582 0.000 1.221 52 V CA 0.377 62.931 62.300 0.423 0.000 1.163 52 V CB -0.397 31.625 31.823 0.331 0.000 0.847 52 V HN 0.071 nan 8.190 nan 0.000 0.468 53 T N 4.226 119.099 114.554 0.532 0.000 2.821 53 T HA 0.730 5.080 4.350 -0.000 0.000 0.307 53 T C -0.806 174.181 174.700 0.478 0.000 1.034 53 T CA -0.097 62.299 62.100 0.493 0.000 0.953 53 T CB 0.427 69.609 68.868 0.524 0.000 0.968 53 T HN 0.622 nan 8.240 nan 0.000 0.462 54 F N -0.100 119.949 119.950 0.165 0.000 2.741 54 F HA 0.649 5.176 4.527 -0.000 0.000 0.311 54 F C -1.236 174.598 175.800 0.057 0.000 1.149 54 F CA -1.647 56.412 58.000 0.098 0.000 0.930 54 F CB 0.723 39.772 39.000 0.081 0.000 1.312 54 F HN 0.185 nan 8.300 nan 0.000 0.450 55 D N 1.383 121.880 120.400 0.161 0.000 2.312 55 D HA 0.346 4.986 4.640 -0.000 0.000 0.252 55 D C -0.667 175.700 176.300 0.111 0.000 1.150 55 D CA 0.005 54.029 54.000 0.040 0.000 0.870 55 D CB 0.825 41.664 40.800 0.064 0.000 1.153 55 D HN 0.548 nan 8.370 nan 0.000 0.457 56 R N 2.684 123.160 120.500 -0.039 0.000 2.312 56 R HA 0.556 4.896 4.340 -0.000 0.000 0.311 56 R C -0.653 175.664 176.300 0.028 0.000 1.004 56 R CA -0.401 55.721 56.100 0.038 0.000 0.902 56 R CB 0.909 31.166 30.300 -0.072 0.000 1.073 56 R HN 0.397 nan 8.270 nan 0.000 0.457 57 L N 2.357 123.614 121.223 0.057 0.000 2.341 57 L HA 0.501 4.841 4.340 -0.000 0.000 0.278 57 L C -0.432 176.446 176.870 0.013 0.000 1.005 57 L CA -0.632 54.220 54.840 0.021 0.000 0.818 57 L CB 1.970 44.043 42.059 0.023 0.000 1.259 57 L HN 0.484 nan 8.230 nan 0.000 0.418 58 Q N 2.737 122.531 119.800 -0.011 0.000 2.292 58 Q HA 0.630 4.970 4.340 -0.000 0.000 0.270 58 Q C -1.901 174.077 176.000 -0.037 0.000 1.024 58 Q CA -0.547 55.243 55.803 -0.021 0.000 0.768 58 Q CB 2.632 31.343 28.738 -0.045 0.000 1.250 58 Q HN 0.464 nan 8.270 nan 0.000 0.447 59 V N 5.424 125.325 119.914 -0.021 0.000 2.531 59 V HA 0.488 4.608 4.120 -0.000 0.000 0.301 59 V C -0.517 175.578 176.094 0.002 0.000 1.034 59 V CA -0.656 61.628 62.300 -0.027 0.000 0.865 59 V CB 1.592 33.403 31.823 -0.020 0.000 0.995 59 V HN 0.750 nan 8.190 nan 0.000 0.424 60 L N 4.757 125.935 121.223 -0.075 0.000 2.331 60 L HA 0.753 5.093 4.340 -0.000 0.000 0.275 60 L C -0.473 176.391 176.870 -0.010 0.000 1.022 60 L CA -0.541 54.210 54.840 -0.148 0.000 0.812 60 L CB 2.010 43.804 42.059 -0.442 0.000 1.257 60 L HN 0.800 nan 8.230 nan 0.000 0.435 61 D N -1.175 119.279 120.400 0.090 0.000 2.687 61 D HA 0.211 4.851 4.640 -0.000 0.000 0.264 61 D C 0.127 176.467 176.300 0.067 0.000 1.091 61 D CA -0.629 53.414 54.000 0.071 0.000 1.123 61 D CB 0.598 41.448 40.800 0.083 0.000 1.407 61 D HN 0.259 nan 8.370 nan 0.000 0.591 62 D N -1.230 119.156 120.400 -0.023 0.000 2.149 62 D HA -0.165 4.475 4.640 -0.000 0.000 0.198 62 D C 1.651 177.958 176.300 0.012 0.000 0.990 62 D CA 1.268 55.242 54.000 -0.043 0.000 0.839 62 D CB -0.193 40.530 40.800 -0.128 0.000 0.948 62 D HN 0.395 nan 8.370 nan 0.000 0.460 63 H N -0.964 118.164 119.070 0.098 0.000 2.353 63 H HA -0.136 4.419 4.556 -0.000 0.000 0.300 63 H C 1.967 177.321 175.328 0.043 0.000 1.090 63 H CA 0.990 57.087 56.048 0.081 0.000 1.327 63 H CB -0.673 29.167 29.762 0.130 0.000 1.383 63 H HN 0.321 nan 8.280 nan 0.000 0.508 64 Y N 1.825 122.128 120.300 0.006 0.000 2.163 64 Y HA -0.178 4.372 4.550 -0.000 0.000 0.288 64 Y C 2.654 178.490 175.900 -0.107 0.000 1.136 64 Y CA 1.465 59.445 58.100 -0.200 0.000 1.147 64 Y CB -0.060 38.149 38.460 -0.418 0.000 0.987 64 Y HN -0.061 nan 8.280 nan 0.000 0.509 65 R N 0.139 120.737 120.500 0.164 0.000 2.081 65 R HA -0.163 4.177 4.340 -0.000 0.000 0.235 65 R C 1.793 178.086 176.300 -0.012 0.000 1.131 65 R CA 1.591 57.738 56.100 0.078 0.000 0.960 65 R CB -0.402 29.951 30.300 0.088 0.000 0.856 65 R HN 0.394 nan 8.270 nan 0.000 0.436 66 D N 0.124 120.531 120.400 0.012 0.000 2.104 66 D HA -0.135 4.505 4.640 -0.000 0.000 0.194 66 D C 1.954 178.237 176.300 -0.029 0.000 0.994 66 D CA 1.131 55.136 54.000 0.008 0.000 0.830 66 D CB -0.264 40.568 40.800 0.053 0.000 0.959 66 D HN 0.008 nan 8.370 nan 0.000 0.452 67 V N 0.927 120.799 119.914 -0.070 0.000 2.427 67 V HA -0.184 3.936 4.120 -0.000 0.000 0.248 67 V C 2.409 178.421 176.094 -0.137 0.000 1.051 67 V CA 0.921 63.157 62.300 -0.107 0.000 1.048 67 V CB -0.400 31.319 31.823 -0.173 0.000 0.666 67 V HN 0.132 nan 8.190 nan 0.000 0.456 68 L N 0.750 121.831 121.223 -0.236 0.000 2.083 68 L HA -0.171 4.169 4.340 -0.000 0.000 0.209 68 L C 2.418 179.225 176.870 -0.105 0.000 1.083 68 L CA 2.304 57.010 54.840 -0.224 0.000 0.752 68 L CB -0.781 41.093 42.059 -0.309 0.000 0.899 68 L HN 0.330 nan 8.230 nan 0.000 0.433 69 K N -0.463 119.894 120.400 -0.072 0.000 2.057 69 K HA -0.203 4.117 4.320 -0.000 0.000 0.207 69 K C 1.908 178.492 176.600 -0.026 0.000 1.049 69 K CA 1.805 58.069 56.287 -0.037 0.000 0.931 69 K CB -0.160 32.328 32.500 -0.021 0.000 0.714 69 K HN 0.491 nan 8.250 nan 0.000 0.440 70 E N 0.205 120.392 120.200 -0.021 0.000 2.106 70 E HA -0.161 4.189 4.350 -0.000 0.000 0.192 70 E C 2.060 178.660 176.600 0.001 0.000 0.984 70 E CA 1.532 57.931 56.400 -0.002 0.000 0.806 70 E CB -0.041 29.666 29.700 0.013 0.000 0.750 70 E HN 0.372 nan 8.360 nan 0.000 0.458 71 M N 0.420 120.018 119.600 -0.004 0.000 2.132 71 M HA -0.138 4.342 4.480 -0.000 0.000 0.263 71 M C 2.095 178.377 176.300 -0.031 0.000 1.065 71 M CA 1.362 56.658 55.300 -0.007 0.000 1.122 71 M CB -0.048 32.551 32.600 -0.002 0.000 1.365 71 M HN -0.075 nan 8.290 nan 0.000 0.411 72 K N 0.353 120.731 120.400 -0.037 0.000 2.097 72 K HA -0.083 4.237 4.320 -0.000 0.000 0.206 72 K C 2.103 178.688 176.600 -0.024 0.000 1.049 72 K CA 1.398 57.664 56.287 -0.035 0.000 0.933 72 K CB -0.272 32.208 32.500 -0.035 0.000 0.717 72 K HN 0.292 nan 8.250 nan 0.000 0.442 73 A N 1.909 124.718 122.820 -0.019 0.000 1.933 73 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 73 A C 1.940 179.514 177.584 -0.017 0.000 1.175 73 A CA 1.437 53.466 52.037 -0.014 0.000 0.628 73 A CB -0.193 18.802 19.000 -0.009 0.000 0.814 73 A HN 0.076 nan 8.150 nan 0.000 0.444 74 K N -0.265 120.122 120.400 -0.021 0.000 2.025 74 K HA -0.022 4.298 4.320 -0.000 0.000 0.207 74 K C 2.281 178.860 176.600 -0.036 0.000 1.049 74 K CA 1.284 57.553 56.287 -0.031 0.000 0.933 74 K CB -0.763 31.713 32.500 -0.040 0.000 0.714 74 K HN 0.437 nan 8.250 nan 0.000 0.438 75 A N 1.124 123.923 122.820 -0.036 0.000 2.024 75 A HA -0.122 4.198 4.320 -0.000 0.000 0.220 75 A C 2.200 179.774 177.584 -0.016 0.000 1.164 75 A CA 1.801 53.821 52.037 -0.029 0.000 0.643 75 A CB -0.458 18.527 19.000 -0.024 0.000 0.806 75 A HN 0.226 nan 8.150 nan 0.000 0.451 76 S N -0.463 115.228 115.700 -0.015 0.000 2.547 76 S HA -0.071 4.399 4.470 -0.000 0.000 0.235 76 S C 1.812 176.406 174.600 -0.010 0.000 0.980 76 S CA 1.443 59.638 58.200 -0.008 0.000 0.941 76 S CB -0.379 62.817 63.200 -0.008 0.000 0.763 76 S HN 0.908 nan 8.310 nan 0.000 0.532 77 T N -1.400 113.144 114.554 -0.016 0.000 3.060 77 T HA 0.244 4.594 4.350 -0.000 0.000 0.249 77 T C 0.472 175.160 174.700 -0.020 0.000 1.079 77 T CA -0.156 61.934 62.100 -0.017 0.000 1.013 77 T CB -0.135 68.720 68.868 -0.022 0.000 0.975 77 T HN 0.012 nan 8.240 nan 0.000 0.518 78 V N 1.983 121.884 119.914 -0.022 0.000 2.546 78 V HA 0.431 4.551 4.120 -0.000 0.000 0.284 78 V C 0.102 176.188 176.094 -0.014 0.000 1.050 78 V CA -0.807 61.478 62.300 -0.025 0.000 0.981 78 V CB 1.302 33.106 31.823 -0.032 0.000 0.990 78 V HN 0.376 nan 8.190 nan 0.000 0.474 79 K N 3.017 123.408 120.400 -0.016 0.000 2.203 79 K HA 0.846 5.166 4.320 -0.000 0.000 0.251 79 K C -0.798 175.795 176.600 -0.011 0.000 0.944 79 K CA -0.470 55.812 56.287 -0.008 0.000 0.829 79 K CB 1.896 34.392 32.500 -0.007 0.000 1.125 79 K HN 0.855 nan 8.250 nan 0.000 0.430 80 A N 2.766 125.585 122.820 -0.003 0.000 2.572 80 A HA 0.508 4.828 4.320 -0.000 0.000 0.295 80 A C -1.752 175.836 177.584 0.006 0.000 1.072 80 A CA -0.985 51.050 52.037 -0.004 0.000 0.691 80 A CB 1.293 20.287 19.000 -0.010 0.000 1.291 80 A HN 0.801 nan 8.150 nan 0.000 0.404 81 K N 1.376 121.780 120.400 0.007 0.000 2.221 81 K HA 0.805 5.125 4.320 -0.000 0.000 0.243 81 K C -1.133 175.473 176.600 0.011 0.000 0.968 81 K CA -0.707 55.585 56.287 0.009 0.000 0.846 81 K CB 1.539 34.039 32.500 0.000 0.000 1.141 81 K HN 0.517 nan 8.250 nan 0.000 0.434 82 L N 2.496 123.723 121.223 0.006 0.000 2.416 82 L HA 0.118 4.458 4.340 -0.000 0.000 0.272 82 L C -0.427 176.400 176.870 -0.073 0.000 1.161 82 L CA -0.744 54.083 54.840 -0.021 0.000 0.845 82 L CB 0.428 42.477 42.059 -0.017 0.000 1.119 82 L HN 0.524 nan 8.230 nan 0.000 0.464 83 L N 3.155 124.310 121.223 -0.113 0.000 2.326 83 L HA 0.214 4.554 4.340 -0.000 0.000 0.278 83 L C 0.567 177.284 176.870 -0.255 0.000 1.092 83 L CA 0.390 55.136 54.840 -0.156 0.000 0.810 83 L CB 1.561 43.529 42.059 -0.151 0.000 1.153 83 L HN 0.707 nan 8.230 nan 0.000 0.439 84 S N 2.169 117.737 115.700 -0.220 0.000 2.580 84 S HA 0.102 4.572 4.470 -0.000 0.000 0.266 84 S C 1.431 175.842 174.600 -0.314 0.000 1.354 84 S CA -0.576 57.470 58.200 -0.256 0.000 1.008 84 S CB 0.657 63.757 63.200 -0.167 0.000 0.898 84 S HN 0.362 nan 8.310 nan 0.000 0.555 85 V N 1.883 121.572 119.914 -0.375 0.000 2.317 85 V HA -0.218 3.902 4.120 -0.000 0.000 0.251 85 V C 2.658 178.597 176.094 -0.259 0.000 1.065 85 V CA 2.584 64.646 62.300 -0.396 0.000 1.049 85 V CB -1.348 30.139 31.823 -0.560 0.000 0.651 85 V HN 0.890 nan 8.190 nan 0.000 0.450 86 E N -0.102 119.982 120.200 -0.194 0.000 2.072 86 E HA -0.189 4.161 4.350 -0.000 0.000 0.191 86 E C 2.212 178.720 176.600 -0.154 0.000 0.985 86 E CA 1.325 57.638 56.400 -0.145 0.000 0.801 86 E CB -0.254 29.383 29.700 -0.105 0.000 0.750 86 E HN 0.680 nan 8.360 nan 0.000 0.452 87 E N 0.185 120.283 120.200 -0.169 0.000 2.110 87 E HA -0.149 4.200 4.350 -0.000 0.000 0.193 87 E C 1.995 178.458 176.600 -0.228 0.000 0.988 87 E CA 0.974 57.263 56.400 -0.184 0.000 0.804 87 E CB -0.138 29.454 29.700 -0.180 0.000 0.745 87 E HN 0.277 nan 8.360 nan 0.000 0.458 88 A N 0.519 123.201 122.820 -0.230 0.000 1.930 88 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 88 A C 2.361 179.839 177.584 -0.178 0.000 1.175 88 A CA 1.063 52.965 52.037 -0.224 0.000 0.627 88 A CB -0.770 18.108 19.000 -0.203 0.000 0.815 88 A HN 0.360 nan 8.150 nan 0.000 0.443 89 C N -0.606 118.599 119.300 -0.157 0.000 2.432 89 C HA -0.066 4.394 4.460 -0.000 0.000 0.277 89 C C 2.665 177.585 174.990 -0.116 0.000 1.249 89 C CA 1.342 60.289 59.018 -0.118 0.000 1.725 89 C CB -1.033 26.639 27.740 -0.114 0.000 2.028 89 C HN 0.614 nan 8.230 nan 0.000 0.477 90 K N 0.430 120.750 120.400 -0.133 0.000 2.209 90 K HA -0.019 4.301 4.320 -0.000 0.000 0.204 90 K C 1.354 177.864 176.600 -0.150 0.000 1.048 90 K CA 0.971 57.181 56.287 -0.128 0.000 0.940 90 K CB -0.138 32.288 32.500 -0.124 0.000 0.729 90 K HN 0.515 nan 8.250 nan 0.000 0.451 91 L N 0.778 121.883 121.223 -0.197 0.000 2.611 91 L HA 0.051 4.391 4.340 -0.000 0.000 0.229 91 L C 0.174 176.949 176.870 -0.159 0.000 1.137 91 L CA -0.060 54.641 54.840 -0.232 0.000 0.901 91 L CB 0.189 41.980 42.059 -0.448 0.000 1.098 91 L HN -0.038 nan 8.230 nan 0.000 0.456 92 T N 2.089 116.572 114.554 -0.119 0.000 2.814 92 T HA 0.207 4.557 4.350 -0.000 0.000 0.297 92 T C -2.212 172.441 174.700 -0.079 0.000 0.956 92 T CA -0.961 61.096 62.100 -0.072 0.000 1.123 92 T CB 0.949 69.793 68.868 -0.041 0.000 0.902 92 T HN -0.083 nan 8.240 nan 0.000 0.528 93 P HA 0.127 nan 4.420 nan 0.000 0.269 93 P C -1.632 175.593 177.300 -0.124 0.000 1.209 93 P CA -1.431 61.612 63.100 -0.095 0.000 0.776 93 P CB 0.224 31.884 31.700 -0.066 0.000 0.876 94 P HA -0.160 nan 4.420 nan 0.000 0.220 94 P C 0.371 177.437 177.300 -0.391 0.000 1.148 94 P CA 1.804 64.691 63.100 -0.354 0.000 0.803 94 P CB 0.043 31.424 31.700 -0.533 0.000 0.782 95 H N -1.126 117.922 119.070 -0.036 0.000 2.472 95 H HA 0.337 4.893 4.556 -0.000 0.000 0.287 95 H C 0.261 175.561 175.328 -0.047 0.000 1.112 95 H CA -0.420 55.606 56.048 -0.036 0.000 1.021 95 H CB 0.008 29.746 29.762 -0.041 0.000 1.635 95 H HN 0.044 nan 8.280 nan 0.000 0.559 96 S N 1.118 116.836 115.700 0.030 0.000 2.572 96 S HA 0.308 4.778 4.470 -0.000 0.000 0.279 96 S C 0.829 175.423 174.600 -0.011 0.000 1.341 96 S CA -0.490 57.705 58.200 -0.009 0.000 1.043 96 S CB 0.937 64.137 63.200 -0.001 0.000 0.887 96 S HN 0.551 nan 8.310 nan 0.000 0.516 97 A N 3.145 125.921 122.820 -0.073 0.000 2.567 97 A HA 0.168 4.488 4.320 -0.000 0.000 0.240 97 A C 0.655 178.249 177.584 0.017 0.000 1.053 97 A CA -0.169 51.842 52.037 -0.042 0.000 0.755 97 A CB -0.259 18.674 19.000 -0.112 0.000 0.978 97 A HN 0.792 nan 8.150 nan 0.000 0.507 98 K N 2.196 122.606 120.400 0.016 0.000 2.336 98 K HA 0.306 4.626 4.320 -0.000 0.000 0.262 98 K C 0.348 176.919 176.600 -0.048 0.000 0.992 98 K CA 0.111 56.389 56.287 -0.015 0.000 0.927 98 K CB 0.386 32.871 32.500 -0.024 0.000 0.956 98 K HN 0.450 nan 8.250 nan 0.000 0.495 99 S N 0.095 115.680 115.700 -0.191 0.000 2.580 99 S HA 0.035 4.505 4.470 -0.000 0.000 0.274 99 S C 0.666 175.121 174.600 -0.243 0.000 1.329 99 S CA -0.687 57.362 58.200 -0.252 0.000 1.036 99 S CB 0.542 63.296 63.200 -0.744 0.000 0.919 99 S HN 0.771 nan 8.310 nan 0.000 0.515 100 K N 2.522 122.798 120.400 -0.207 0.000 2.522 100 K HA 0.114 4.434 4.320 -0.000 0.000 0.194 100 K C -0.241 175.992 176.600 -0.612 0.000 1.026 100 K CA 0.639 56.700 56.287 -0.376 0.000 1.119 100 K CB -0.217 32.029 32.500 -0.423 0.000 0.856 100 K HN 0.564 nan 8.250 nan 0.000 0.513 101 F N 0.713 120.477 119.950 -0.310 0.000 2.708 101 F HA 0.342 4.868 4.527 -0.001 0.000 0.300 101 F C 1.034 176.711 175.800 -0.205 0.000 1.118 101 F CA -0.160 57.659 58.000 -0.302 0.000 1.307 101 F CB 1.427 40.092 39.000 -0.558 0.000 0.986 101 F HN 0.292 nan 8.300 nan 0.000 0.522 102 G N 0.335 109.072 108.800 -0.104 0.000 2.134 102 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.209 102 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.209 102 G C -0.404 174.567 174.900 0.119 0.000 0.993 102 G CA -0.031 45.078 45.100 0.015 0.000 0.669 102 G HN 0.476 nan 8.290 nan 0.000 0.519 103 Y N -2.144 118.178 120.300 0.037 0.000 2.609 103 Y HA 0.799 5.349 4.550 0.000 0.000 0.336 103 Y C 0.338 176.268 175.900 0.050 0.000 1.129 103 Y CA -1.135 56.990 58.100 0.041 0.000 1.040 103 Y CB 0.691 39.179 38.460 0.047 0.000 1.310 103 Y HN 0.686 nan 8.280 nan 0.000 0.460 104 G N -0.174 108.751 108.800 0.208 0.000 3.140 104 G HA2 0.542 4.502 3.960 -0.000 0.000 0.271 104 G HA3 0.542 4.502 3.960 -0.000 0.000 0.271 104 G C 0.189 175.187 174.900 0.163 0.000 1.370 104 G CA -0.779 44.388 45.100 0.112 0.000 1.014 104 G HN 1.185 nan 8.290 nan 0.000 0.541 105 A N -0.482 122.392 122.820 0.090 0.000 1.978 105 A HA -0.037 4.283 4.320 -0.000 0.000 0.220 105 A C 2.121 179.724 177.584 0.033 0.000 1.170 105 A CA 2.162 54.236 52.037 0.061 0.000 0.636 105 A CB -0.365 18.645 19.000 0.016 0.000 0.810 105 A HN 0.526 nan 8.150 nan 0.000 0.448 106 K N -0.342 120.075 120.400 0.027 0.000 2.155 106 K HA -0.157 4.163 4.320 -0.000 0.000 0.203 106 K C 0.985 177.597 176.600 0.020 0.000 1.052 106 K CA 1.501 57.790 56.287 0.003 0.000 0.948 106 K CB -0.268 32.236 32.500 0.006 0.000 0.728 106 K HN 0.409 nan 8.250 nan 0.000 0.448 107 D N 0.714 121.152 120.400 0.064 0.000 2.117 107 D HA -0.127 4.513 4.640 -0.000 0.000 0.198 107 D C 2.047 178.358 176.300 0.018 0.000 0.982 107 D CA 0.915 54.950 54.000 0.059 0.000 0.828 107 D CB -0.150 40.729 40.800 0.131 0.000 0.967 107 D HN 0.024 nan 8.370 nan 0.000 0.464 108 V N 1.476 121.420 119.914 0.050 0.000 2.295 108 V HA -0.227 3.892 4.120 -0.000 0.000 0.246 108 V C 2.540 178.613 176.094 -0.034 0.000 1.049 108 V CA 1.506 63.806 62.300 0.000 0.000 1.024 108 V CB -0.395 31.464 31.823 0.060 0.000 0.648 108 V HN 0.142 nan 8.190 nan 0.000 0.447 109 R N 0.390 120.872 120.500 -0.030 0.000 2.105 109 R HA -0.114 4.226 4.340 -0.000 0.000 0.239 109 R C 1.610 177.879 176.300 -0.052 0.000 1.135 109 R CA 1.393 57.461 56.100 -0.054 0.000 0.967 109 R CB -0.377 29.886 30.300 -0.063 0.000 0.861 109 R HN 0.509 nan 8.270 nan 0.000 0.442 110 N N 0.692 119.368 118.700 -0.039 0.000 2.322 110 N HA 0.093 4.833 4.740 -0.000 0.000 0.194 110 N C 0.098 175.584 175.510 -0.040 0.000 1.126 110 N CA 0.109 53.138 53.050 -0.036 0.000 0.845 110 N CB 0.269 38.743 38.487 -0.023 0.000 0.976 110 N HN 0.141 nan 8.380 nan 0.000 0.475 111 L N 0.852 122.043 121.223 -0.053 0.000 3.597 111 L HA -0.223 4.117 4.340 -0.000 0.000 0.440 111 L C 0.094 176.931 176.870 -0.055 0.000 1.277 111 L CA -0.008 54.795 54.840 -0.062 0.000 0.852 111 L CB -2.368 39.658 42.059 -0.055 0.000 1.708 111 L HN 0.182 nan 8.230 nan 0.000 0.885 112 S N -1.395 114.270 115.700 -0.057 0.000 2.572 112 S HA 0.262 4.732 4.470 -0.000 0.000 0.279 112 S C 1.483 176.043 174.600 -0.066 0.000 1.341 112 S CA -0.125 58.046 58.200 -0.048 0.000 1.043 112 S CB 1.735 64.916 63.200 -0.032 0.000 0.887 112 S HN 0.478 nan 8.310 nan 0.000 0.516 113 S N 2.550 118.225 115.700 -0.041 0.000 2.400 113 S HA -0.218 4.252 4.470 -0.000 0.000 0.232 113 S C 1.657 176.228 174.600 -0.049 0.000 1.025 113 S CA 1.196 59.376 58.200 -0.034 0.000 0.993 113 S CB -0.576 62.614 63.200 -0.016 0.000 0.808 113 S HN 0.842 nan 8.310 nan 0.000 0.478 114 K N 1.704 122.068 120.400 -0.058 0.000 2.002 114 K HA -0.016 4.304 4.320 -0.000 0.000 0.209 114 K C 2.419 178.868 176.600 -0.253 0.000 1.048 114 K CA 1.219 57.467 56.287 -0.066 0.000 0.930 114 K CB -0.621 31.882 32.500 0.005 0.000 0.714 114 K HN 0.431 nan 8.250 nan 0.000 0.438 115 A N 0.537 123.075 122.820 -0.469 0.000 1.873 115 A HA -0.103 4.217 4.320 -0.000 0.000 0.215 115 A C 2.253 179.586 177.584 -0.419 0.000 1.186 115 A CA 1.569 53.054 52.037 -0.920 0.000 0.616 115 A CB -0.667 17.931 19.000 -0.671 0.000 0.823 115 A HN 0.180 nan 8.150 nan 0.000 0.442 116 V N 0.990 120.777 119.914 -0.211 0.000 2.295 116 V HA -0.271 3.849 4.120 -0.000 0.000 0.246 116 V C 2.363 178.480 176.094 0.039 0.000 1.049 116 V CA 2.216 64.464 62.300 -0.088 0.000 1.024 116 V CB -1.003 30.806 31.823 -0.022 0.000 0.648 116 V HN 0.546 nan 8.190 nan 0.000 0.447 117 N N -0.636 118.086 118.700 0.035 0.000 2.104 117 N HA -0.195 4.545 4.740 -0.000 0.000 0.190 117 N C 1.873 177.442 175.510 0.097 0.000 1.024 117 N CA 1.723 54.823 53.050 0.083 0.000 0.853 117 N CB -0.575 37.940 38.487 0.046 0.000 1.008 117 N HN 0.656 nan 8.380 nan 0.000 0.424 118 H N 0.528 119.566 119.070 -0.052 0.000 2.357 118 H HA 0.040 4.596 4.556 -0.000 0.000 0.301 118 H C 2.049 177.362 175.328 -0.025 0.000 1.082 118 H CA 1.057 57.085 56.048 -0.032 0.000 1.342 118 H CB 0.030 29.809 29.762 0.028 0.000 1.389 118 H HN 0.133 nan 8.280 nan 0.000 0.511 119 I N 0.390 120.879 120.570 -0.134 0.000 2.286 119 I HA -0.291 3.879 4.170 -0.000 0.000 0.248 119 I C 2.537 178.567 176.117 -0.144 0.000 1.115 119 I CA 0.922 62.115 61.300 -0.179 0.000 1.392 119 I CB -0.441 37.456 38.000 -0.172 0.000 1.065 119 I HN 0.374 nan 8.210 nan 0.000 0.418 120 H N 0.447 119.474 119.070 -0.073 0.000 2.353 120 H HA -0.133 4.423 4.556 -0.000 0.000 0.300 120 H C 2.631 177.963 175.328 0.007 0.000 1.090 120 H CA 1.985 58.027 56.048 -0.010 0.000 1.327 120 H CB -0.169 29.578 29.762 -0.025 0.000 1.383 120 H HN 0.413 nan 8.280 nan 0.000 0.508 121 S N 0.316 116.044 115.700 0.046 0.000 2.383 121 S HA -0.085 4.385 4.470 -0.000 0.000 0.227 121 S C 2.366 176.908 174.600 -0.095 0.000 1.026 121 S CA 1.232 59.415 58.200 -0.028 0.000 0.981 121 S CB -0.829 62.334 63.200 -0.062 0.000 0.818 121 S HN 0.098 nan 8.310 nan 0.000 0.472 122 V N 0.799 120.588 119.914 -0.209 0.000 2.358 122 V HA -0.101 4.019 4.120 -0.000 0.000 0.246 122 V C 2.241 178.318 176.094 -0.027 0.000 1.047 122 V CA 1.701 63.889 62.300 -0.187 0.000 1.035 122 V CB -1.074 30.585 31.823 -0.273 0.000 0.658 122 V HN 0.721 nan 8.190 nan 0.000 0.452 123 W N 1.574 122.791 121.300 -0.139 0.000 2.358 123 W HA -0.215 4.445 4.660 0.001 0.000 0.303 123 W C 2.471 178.954 176.519 -0.060 0.000 1.208 123 W CA 2.200 59.489 57.345 -0.093 0.000 1.274 123 W CB -0.072 29.331 29.460 -0.095 0.000 1.138 123 W HN 0.253 nan 8.180 nan 0.000 0.515 124 K N 0.722 121.163 120.400 0.068 0.000 2.097 124 K HA -0.260 4.060 4.320 -0.000 0.000 0.206 124 K C 1.714 178.239 176.600 -0.124 0.000 1.049 124 K CA 2.201 58.467 56.287 -0.036 0.000 0.933 124 K CB -0.585 31.945 32.500 0.050 0.000 0.717 124 K HN 0.038 nan 8.250 nan 0.000 0.442 125 D N 0.256 120.592 120.400 -0.106 0.000 2.178 125 D HA -0.133 4.507 4.640 -0.000 0.000 0.202 125 D C 1.935 178.136 176.300 -0.164 0.000 0.974 125 D CA 0.789 54.722 54.000 -0.112 0.000 0.841 125 D CB 0.083 40.829 40.800 -0.090 0.000 0.953 125 D HN 0.223 nan 8.370 nan 0.000 0.478 126 L N -0.079 121.001 121.223 -0.238 0.000 2.046 126 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 126 L C 2.366 179.030 176.870 -0.344 0.000 1.077 126 L CA 0.809 55.465 54.840 -0.308 0.000 0.747 126 L CB -0.300 41.498 42.059 -0.434 0.000 0.896 126 L HN 0.255 nan 8.230 nan 0.000 0.432 127 L N -1.094 119.882 121.223 -0.410 0.000 2.179 127 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 127 L C 2.160 178.917 176.870 -0.188 0.000 1.096 127 L CA 1.000 55.643 54.840 -0.329 0.000 0.779 127 L CB -0.307 41.542 42.059 -0.349 0.000 0.922 127 L HN 0.255 nan 8.230 nan 0.000 0.443 128 E N -1.031 119.078 120.200 -0.153 0.000 2.340 128 E HA -0.044 4.306 4.350 -0.000 0.000 0.194 128 E C 0.159 176.708 176.600 -0.085 0.000 0.996 128 E CA 0.115 56.456 56.400 -0.098 0.000 0.869 128 E CB 0.435 30.091 29.700 -0.073 0.000 0.835 128 E HN 0.171 nan 8.360 nan 0.000 0.493 129 D N 0.333 120.673 120.400 -0.099 0.000 2.481 129 D HA 0.060 4.700 4.640 -0.000 0.000 0.246 129 D C -0.175 176.068 176.300 -0.095 0.000 1.109 129 D CA -0.247 53.705 54.000 -0.080 0.000 0.845 129 D CB 1.488 42.248 40.800 -0.067 0.000 1.160 129 D HN -0.033 nan 8.370 nan 0.000 0.534 130 T N 0.536 115.042 114.554 -0.079 0.000 3.252 130 T HA 0.243 4.593 4.350 -0.000 0.000 0.286 130 T C 1.026 175.689 174.700 -0.063 0.000 1.013 130 T CA 0.240 62.291 62.100 -0.082 0.000 0.914 130 T CB -0.307 68.515 68.868 -0.077 0.000 1.131 130 T HN 0.202 nan 8.240 nan 0.000 0.529 131 V N -3.486 116.397 119.914 -0.052 0.000 3.305 131 V HA 0.386 4.506 4.120 -0.000 0.000 0.247 131 V C 0.600 176.675 176.094 -0.031 0.000 1.426 131 V CA -0.058 62.219 62.300 -0.039 0.000 1.162 131 V CB -0.229 31.575 31.823 -0.031 0.000 0.961 131 V HN 0.270 nan 8.190 nan 0.000 0.449 132 T N 4.978 119.514 114.554 -0.030 0.000 2.784 132 T HA 0.297 4.647 4.350 -0.000 0.000 0.291 132 T C -2.492 172.199 174.700 -0.014 0.000 0.942 132 T CA -0.058 62.033 62.100 -0.015 0.000 1.161 132 T CB 0.617 69.477 68.868 -0.013 0.000 0.885 132 T HN 0.370 nan 8.240 nan 0.000 0.534 133 P HA 0.119 nan 4.420 nan 0.000 0.261 133 P C -0.156 177.147 177.300 0.006 0.000 1.183 133 P CA 0.049 63.155 63.100 0.010 0.000 0.761 133 P CB 0.247 31.974 31.700 0.045 0.000 0.785 134 I N 2.522 123.088 120.570 -0.006 0.000 2.472 134 I HA 0.143 4.313 4.170 -0.000 0.000 0.290 134 I C 0.988 177.109 176.117 0.007 0.000 1.016 134 I CA -0.337 60.964 61.300 0.002 0.000 1.348 134 I CB 0.738 38.731 38.000 -0.012 0.000 1.417 134 I HN 0.308 nan 8.210 nan 0.000 0.521 135 D N 3.776 124.185 120.400 0.016 0.000 2.372 135 D HA 0.265 4.905 4.640 -0.000 0.000 0.243 135 D C -0.410 175.875 176.300 -0.026 0.000 1.121 135 D CA 0.090 54.084 54.000 -0.010 0.000 0.898 135 D CB 0.887 41.687 40.800 0.000 0.000 1.202 135 D HN 0.618 nan 8.370 nan 0.000 0.428 136 T N -0.715 113.796 114.554 -0.071 0.000 2.906 136 T HA 0.585 4.935 4.350 -0.000 0.000 0.295 136 T C -0.351 174.208 174.700 -0.235 0.000 1.061 136 T CA -0.951 61.069 62.100 -0.133 0.000 1.000 136 T CB 1.531 70.357 68.868 -0.069 0.000 1.103 136 T HN 0.221 nan 8.240 nan 0.000 0.486 137 T N 2.506 116.762 114.554 -0.497 0.000 2.837 137 T HA 0.577 4.927 4.350 -0.000 0.000 0.285 137 T C -0.310 174.143 174.700 -0.412 0.000 0.984 137 T CA -0.611 61.174 62.100 -0.526 0.000 1.049 137 T CB 0.701 69.090 68.868 -0.799 0.000 0.947 137 T HN 0.730 nan 8.240 nan 0.000 0.472 138 I N 3.749 124.236 120.570 -0.139 0.000 2.378 138 I HA 0.563 4.733 4.170 -0.000 0.000 0.291 138 I C -0.871 175.285 176.117 0.065 0.000 0.992 138 I CA -0.864 60.448 61.300 0.019 0.000 1.154 138 I CB 0.692 38.752 38.000 0.100 0.000 1.315 138 I HN 0.572 nan 8.210 nan 0.000 0.448 139 M N 6.312 125.999 119.600 0.145 0.000 2.658 139 M HA 0.624 5.104 4.480 -0.000 0.000 0.295 139 M C -0.677 175.693 176.300 0.116 0.000 1.248 139 M CA -0.848 54.536 55.300 0.140 0.000 0.843 139 M CB 2.136 34.864 32.600 0.213 0.000 1.749 139 M HN 0.568 nan 8.290 nan 0.000 0.464 140 A N 1.596 124.464 122.820 0.080 0.000 2.301 140 A HA 0.517 4.837 4.320 -0.000 0.000 0.312 140 A C -0.464 177.161 177.584 0.069 0.000 1.182 140 A CA -0.590 51.486 52.037 0.067 0.000 0.826 140 A CB 0.527 19.552 19.000 0.041 0.000 1.134 140 A HN 0.773 nan 8.150 nan 0.000 0.501 141 K N 1.427 121.868 120.400 0.069 0.000 2.295 141 K HA 0.101 4.421 4.320 -0.000 0.000 0.270 141 K C -0.568 176.043 176.600 0.017 0.000 1.011 141 K CA 0.063 56.376 56.287 0.044 0.000 0.953 141 K CB 0.470 33.000 32.500 0.049 0.000 0.956 141 K HN 0.788 nan 8.250 nan 0.000 0.477 142 N N 2.823 121.507 118.700 -0.026 0.000 2.589 142 N HA 0.095 4.835 4.740 -0.000 0.000 0.232 142 N C -1.301 174.093 175.510 -0.192 0.000 1.015 142 N CA -0.283 52.722 53.050 -0.076 0.000 0.931 142 N CB 0.921 39.376 38.487 -0.054 0.000 1.150 142 N HN 0.364 nan 8.380 nan 0.000 0.512 143 E N 0.990 121.028 120.200 -0.270 0.000 2.266 143 E HA 0.370 4.720 4.350 -0.000 0.000 0.268 143 E C -0.770 175.293 176.600 -0.894 0.000 0.879 143 E CA -0.970 55.107 56.400 -0.538 0.000 0.762 143 E CB 2.578 31.979 29.700 -0.499 0.000 1.199 143 E HN 0.074 nan 8.360 nan 0.000 0.422 144 V N 3.181 122.457 119.914 -1.064 0.000 2.498 144 V HA 0.360 4.480 4.120 -0.000 0.000 0.279 144 V C -0.693 174.669 176.094 -1.219 0.000 1.048 144 V CA -0.041 61.601 62.300 -1.096 0.000 0.967 144 V CB -0.215 31.009 31.823 -0.997 0.000 0.988 144 V HN 0.488 nan 8.190 nan 0.000 0.473 145 F N 2.596 122.149 119.950 -0.661 0.000 2.629 145 F HA 0.613 5.140 4.527 0.000 0.000 0.316 145 F C 0.247 175.879 175.800 -0.280 0.000 1.081 145 F CA -0.772 56.941 58.000 -0.478 0.000 0.954 145 F CB 1.289 39.974 39.000 -0.525 0.000 1.337 145 F HN 0.580 nan 8.300 nan 0.000 0.474 146 C N 1.481 120.881 119.300 0.167 0.000 2.362 146 C HA 0.909 5.369 4.460 -0.000 0.000 0.363 146 C C -0.049 175.134 174.990 0.322 0.000 1.220 146 C CA -0.212 58.934 59.018 0.213 0.000 2.379 146 C CB 0.689 28.498 27.740 0.115 0.000 2.351 146 C HN 0.588 nan 8.230 nan 0.000 0.582 154 R N 0.125 120.539 120.500 -0.144 0.000 2.459 154 R HA 0.417 4.757 4.340 -0.000 0.000 0.281 154 R C 0.225 176.499 176.300 -0.043 0.000 1.050 154 R CA -0.701 55.288 56.100 -0.185 0.000 1.055 154 R CB 1.311 31.272 30.300 -0.564 0.000 1.045 154 R HN 0.669 nan 8.270 nan 0.000 0.495 155 K N 1.854 122.295 120.400 0.069 0.000 2.174 155 K HA 0.381 4.701 4.320 -0.000 0.000 0.275 155 K C -2.470 174.173 176.600 0.071 0.000 1.015 155 K CA -1.847 54.435 56.287 -0.008 0.000 0.933 155 K CB 0.704 33.089 32.500 -0.192 0.000 1.025 155 K HN 0.167 nan 8.250 nan 0.000 0.463 156 P HA -0.017 nan 4.420 nan 0.000 0.271 156 P C -0.797 176.549 177.300 0.078 0.000 1.233 156 P CA -0.375 62.756 63.100 0.050 0.000 0.789 156 P CB 0.495 32.203 31.700 0.014 0.000 0.951 157 A N 2.215 125.086 122.820 0.085 0.000 2.462 157 A HA 0.161 4.481 4.320 -0.000 0.000 0.243 157 A C 0.383 178.016 177.584 0.082 0.000 1.076 157 A CA -0.205 51.892 52.037 0.099 0.000 0.773 157 A CB -0.173 18.873 19.000 0.077 0.000 1.010 157 A HN 0.428 nan 8.150 nan 0.000 0.493 158 R N 1.003 121.567 120.500 0.106 0.000 2.543 158 R HA 0.284 4.624 4.340 -0.000 0.000 0.277 158 R C -0.824 175.536 176.300 0.100 0.000 1.074 158 R CA -0.066 56.097 56.100 0.105 0.000 1.076 158 R CB 0.333 30.707 30.300 0.124 0.000 0.993 158 R HN 0.623 nan 8.270 nan 0.000 0.459 159 L N 5.327 126.615 121.223 0.107 0.000 2.264 159 L HA 0.420 4.760 4.340 -0.000 0.000 0.289 159 L C 0.415 177.385 176.870 0.167 0.000 1.044 159 L CA -0.597 54.314 54.840 0.118 0.000 0.807 159 L CB 0.741 42.857 42.059 0.095 0.000 1.192 159 L HN 0.532 nan 8.230 nan 0.000 0.425 160 I N 1.279 121.961 120.570 0.187 0.000 2.498 160 I HA 0.677 4.847 4.170 -0.000 0.000 0.301 160 I C -0.615 175.680 176.117 0.296 0.000 0.984 160 I CA -0.797 60.650 61.300 0.244 0.000 1.204 160 I CB 1.946 40.093 38.000 0.244 0.000 1.362 160 I HN 0.182 nan 8.210 nan 0.000 0.471 161 V N 6.443 126.543 119.914 0.309 0.000 2.525 161 V HA 0.564 4.684 4.120 -0.000 0.000 0.299 161 V C -0.734 175.544 176.094 0.307 0.000 1.034 161 V CA -0.361 62.077 62.300 0.230 0.000 0.863 161 V CB 1.276 33.219 31.823 0.199 0.000 0.999 161 V HN 0.728 nan 8.190 nan 0.000 0.423 162 F N 4.868 124.881 119.950 0.105 0.000 2.601 162 F HA 0.936 5.463 4.527 -0.000 0.000 0.309 162 F C -3.004 172.854 175.800 0.097 0.000 1.089 162 F CA -2.810 55.251 58.000 0.102 0.000 0.940 162 F CB 1.656 40.709 39.000 0.089 0.000 1.273 162 F HN 0.290 nan 8.300 nan 0.000 0.450 163 P HA 0.141 nan 4.420 nan 0.000 0.277 163 P C -0.960 176.483 177.300 0.239 0.000 1.271 163 P CA -0.097 63.090 63.100 0.144 0.000 0.795 163 P CB 1.042 32.834 31.700 0.154 0.000 1.101 164 D N -0.759 119.759 120.400 0.198 0.000 2.382 164 D HA -0.030 4.610 4.640 -0.000 0.000 0.240 164 D C 1.360 177.813 176.300 0.254 0.000 1.146 164 D CA -0.363 53.786 54.000 0.249 0.000 0.897 164 D CB 0.297 41.281 40.800 0.306 0.000 1.197 164 D HN 0.089 nan 8.370 nan 0.000 0.432 165 L N 3.365 124.726 121.223 0.229 0.000 2.051 165 L HA -0.033 4.307 4.340 -0.000 0.000 0.214 165 L C 2.015 179.036 176.870 0.252 0.000 1.076 165 L CA 2.586 57.549 54.840 0.205 0.000 0.758 165 L CB -1.109 41.036 42.059 0.144 0.000 0.890 165 L HN 0.678 nan 8.230 nan 0.000 0.433 166 G N -1.256 107.740 108.800 0.327 0.000 2.446 166 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 166 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 166 G C 1.559 176.554 174.900 0.157 0.000 1.168 166 G CA 1.107 46.395 45.100 0.314 0.000 0.771 166 G HN 0.349 nan 8.290 nan 0.000 0.551 167 V N 0.929 120.933 119.914 0.149 0.000 2.332 167 V HA -0.204 3.916 4.120 -0.000 0.000 0.248 167 V C 2.958 179.134 176.094 0.136 0.000 1.055 167 V CA 2.045 64.414 62.300 0.115 0.000 1.038 167 V CB -0.482 31.406 31.823 0.108 0.000 0.651 167 V HN 0.346 nan 8.190 nan 0.000 0.450 168 R N -0.369 120.226 120.500 0.157 0.000 2.105 168 R HA -0.138 4.202 4.340 -0.000 0.000 0.239 168 R C 2.215 178.585 176.300 0.117 0.000 1.135 168 R CA 1.537 57.726 56.100 0.149 0.000 0.967 168 R CB -0.691 29.699 30.300 0.150 0.000 0.861 168 R HN 0.437 nan 8.270 nan 0.000 0.442 169 V N 0.517 120.491 119.914 0.099 0.000 2.358 169 V HA -0.279 3.841 4.120 -0.000 0.000 0.246 169 V C 2.492 178.605 176.094 0.033 0.000 1.047 169 V CA 1.561 63.887 62.300 0.042 0.000 1.035 169 V CB -0.463 31.372 31.823 0.020 0.000 0.658 169 V HN 0.445 nan 8.190 nan 0.000 0.452 170 C N -0.181 119.176 119.300 0.095 0.000 2.422 170 C HA -0.124 4.336 4.460 -0.000 0.000 0.279 170 C C 2.617 177.757 174.990 0.251 0.000 1.305 170 C CA 0.686 59.832 59.018 0.213 0.000 1.757 170 C CB -1.056 26.884 27.740 0.335 0.000 1.962 170 C HN 0.617 nan 8.230 nan 0.000 0.499 171 E N 0.869 121.179 120.200 0.183 0.000 2.077 171 E HA -0.197 4.152 4.350 -0.000 0.000 0.193 171 E C 2.164 178.859 176.600 0.158 0.000 0.989 171 E CA 1.055 57.569 56.400 0.190 0.000 0.800 171 E CB -0.132 29.690 29.700 0.203 0.000 0.746 171 E HN 0.637 nan 8.360 nan 0.000 0.452 172 K N 0.157 120.627 120.400 0.117 0.000 2.148 172 K HA -0.087 4.233 4.320 -0.000 0.000 0.204 172 K C 2.139 178.768 176.600 0.048 0.000 1.050 172 K CA 1.041 57.393 56.287 0.109 0.000 0.942 172 K CB -0.076 32.439 32.500 0.026 0.000 0.724 172 K HN 0.151 nan 8.250 nan 0.000 0.446 173 M N 0.228 119.809 119.600 -0.032 0.000 2.086 173 M HA -0.145 4.335 4.480 -0.000 0.000 0.261 173 M C 2.428 178.713 176.300 -0.026 0.000 1.067 173 M CA 1.726 56.913 55.300 -0.187 0.000 1.116 173 M CB -0.289 31.956 32.600 -0.591 0.000 1.348 173 M HN 0.176 nan 8.290 nan 0.000 0.407 174 A N -0.511 122.431 122.820 0.204 0.000 1.929 174 A HA 0.030 4.350 4.320 -0.000 0.000 0.216 174 A C 1.872 179.522 177.584 0.111 0.000 1.176 174 A CA 1.262 53.462 52.037 0.271 0.000 0.628 174 A CB -0.232 18.962 19.000 0.323 0.000 0.816 174 A HN 0.491 nan 8.150 nan 0.000 0.444 175 L N -3.372 117.899 121.223 0.080 0.000 3.039 175 L HA 0.203 4.543 4.340 -0.000 0.000 0.269 175 L C 1.786 178.644 176.870 -0.020 0.000 1.169 175 L CA 0.023 54.851 54.840 -0.019 0.000 0.986 175 L CB 0.146 42.165 42.059 -0.067 0.000 1.377 175 L HN 0.459 nan 8.230 nan 0.000 0.575 176 Y N 1.185 121.452 120.300 -0.055 0.000 2.207 176 Y HA -0.309 4.242 4.550 0.001 0.000 0.287 176 Y C 2.070 177.930 175.900 -0.067 0.000 1.156 176 Y CA 2.166 60.229 58.100 -0.061 0.000 1.182 176 Y CB 0.193 38.618 38.460 -0.059 0.000 0.979 176 Y HN 0.206 nan 8.280 nan 0.000 0.521 177 D N -1.176 119.246 120.400 0.037 0.000 2.347 177 D HA -0.064 4.576 4.640 -0.000 0.000 0.213 177 D C 1.814 178.055 176.300 -0.099 0.000 0.985 177 D CA 0.673 54.662 54.000 -0.018 0.000 0.879 177 D CB 0.139 40.965 40.800 0.043 0.000 0.919 177 D HN 0.274 nan 8.370 nan 0.000 0.526 178 V N 0.014 119.854 119.914 -0.123 0.000 2.374 178 V HA -0.107 4.013 4.120 -0.000 0.000 0.241 178 V C 2.545 178.534 176.094 -0.176 0.000 1.034 178 V CA 1.316 63.534 62.300 -0.137 0.000 1.037 178 V CB -0.120 31.599 31.823 -0.174 0.000 0.682 178 V HN 0.269 nan 8.190 nan 0.000 0.463 179 V N -2.324 117.455 119.914 -0.225 0.000 3.241 179 V HA -0.076 4.044 4.120 -0.000 0.000 0.269 179 V C 1.800 177.774 176.094 -0.200 0.000 1.151 179 V CA 2.049 64.230 62.300 -0.198 0.000 1.158 179 V CB -0.376 31.326 31.823 -0.202 0.000 0.764 179 V HN 0.420 nan 8.190 nan 0.000 0.508 180 S N 0.195 115.748 115.700 -0.245 0.000 2.655 180 S HA 0.011 4.481 4.470 -0.000 0.000 0.231 180 S C 1.907 176.367 174.600 -0.233 0.000 1.044 180 S CA 1.053 59.132 58.200 -0.202 0.000 0.910 180 S CB -0.063 63.008 63.200 -0.214 0.000 0.833 180 S HN 0.635 nan 8.310 nan 0.000 0.581 181 T N 3.466 117.904 114.554 -0.194 0.000 2.720 181 T HA -0.089 4.261 4.350 -0.000 0.000 0.268 181 T C 1.793 176.370 174.700 -0.204 0.000 1.037 181 T CA 1.331 63.330 62.100 -0.169 0.000 1.144 181 T CB -0.429 68.368 68.868 -0.118 0.000 0.864 181 T HN 0.152 nan 8.240 nan 0.000 0.444 182 L N 2.707 123.817 121.223 -0.188 0.000 2.005 182 L HA 0.028 4.368 4.340 -0.000 0.000 0.207 182 L C -0.777 175.936 176.870 -0.262 0.000 1.072 182 L CA 1.848 56.592 54.840 -0.160 0.000 0.744 182 L CB -1.375 40.647 42.059 -0.062 0.000 0.895 182 L HN 0.097 nan 8.230 nan 0.000 0.433 183 P HA -0.249 nan 4.420 nan 0.000 0.216 183 P C 1.503 178.356 177.300 -0.744 0.000 1.150 183 P CA 1.617 64.369 63.100 -0.580 0.000 0.837 183 P CB -0.089 31.163 31.700 -0.746 0.000 0.786 184 Q N -0.044 119.246 119.800 -0.849 0.000 2.124 184 Q HA -0.100 4.240 4.340 -0.000 0.000 0.202 184 Q C 2.050 177.882 176.000 -0.281 0.000 0.977 184 Q CA 1.422 56.926 55.803 -0.498 0.000 0.850 184 Q CB -0.401 28.160 28.738 -0.295 0.000 0.901 184 Q HN -0.007 nan 8.270 nan 0.000 0.429 185 V N -0.432 119.335 119.914 -0.245 0.000 2.453 185 V HA -0.191 3.929 4.120 -0.000 0.000 0.247 185 V C 2.132 178.133 176.094 -0.156 0.000 1.048 185 V CA 1.295 63.498 62.300 -0.161 0.000 1.049 185 V CB -0.077 31.671 31.823 -0.125 0.000 0.672 185 V HN 0.256 nan 8.190 nan 0.000 0.457 186 V N -0.671 119.123 119.914 -0.200 0.000 2.379 186 V HA -0.173 3.947 4.120 -0.000 0.000 0.245 186 V C 2.060 177.997 176.094 -0.261 0.000 1.044 186 V CA 2.065 64.252 62.300 -0.188 0.000 1.036 186 V CB -0.392 31.315 31.823 -0.193 0.000 0.664 186 V HN 0.466 nan 8.190 nan 0.000 0.453 187 M N -1.206 118.166 119.600 -0.380 0.000 2.414 187 M HA 0.362 4.842 4.480 -0.000 0.000 0.251 187 M C 1.478 177.641 176.300 -0.228 0.000 1.116 187 M CA 0.801 55.780 55.300 -0.536 0.000 1.056 187 M CB 0.354 32.520 32.600 -0.724 0.000 1.388 187 M HN 0.462 nan 8.290 nan 0.000 0.487 188 G N 1.559 110.262 108.800 -0.162 0.000 2.611 188 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.301 188 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.301 188 G C 0.803 175.646 174.900 -0.095 0.000 1.233 188 G CA 0.775 45.819 45.100 -0.094 0.000 0.993 188 G HN 0.538 nan 8.290 nan 0.000 0.553 189 S N -0.483 115.177 115.700 -0.068 0.000 2.547 189 S HA 0.127 4.597 4.470 -0.000 0.000 0.235 189 S C 2.113 176.596 174.600 -0.195 0.000 0.980 189 S CA 1.866 59.968 58.200 -0.164 0.000 0.941 189 S CB -0.024 63.114 63.200 -0.104 0.000 0.763 189 S HN 1.006 nan 8.310 nan 0.000 0.532 190 S N 0.200 115.892 115.700 -0.014 0.000 2.522 190 S HA 0.143 4.613 4.470 -0.000 0.000 0.227 190 S C 0.152 174.777 174.600 0.041 0.000 0.986 190 S CA -0.191 58.060 58.200 0.085 0.000 0.929 190 S CB -0.365 62.968 63.200 0.222 0.000 0.769 190 S HN 0.725 nan 8.310 nan 0.000 0.529 191 Y N 2.781 122.969 120.300 -0.187 0.000 2.539 191 Y HA 0.479 5.029 4.550 -0.000 0.000 0.352 191 Y C 1.202 176.958 175.900 -0.240 0.000 1.004 191 Y CA -1.417 56.562 58.100 -0.202 0.000 1.278 191 Y CB 0.031 38.363 38.460 -0.214 0.000 1.136 191 Y HN 0.050 nan 8.280 nan 0.000 0.528 192 G N 4.218 112.702 108.800 -0.527 0.000 2.484 192 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.218 192 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.218 192 G C 1.031 175.595 174.900 -0.561 0.000 1.130 192 G CA 0.163 45.026 45.100 -0.397 0.000 0.784 192 G HN 0.635 nan 8.290 nan 0.000 0.543 193 F N 1.342 120.779 119.950 -0.855 0.000 2.502 193 F HA 0.012 4.540 4.527 0.000 0.000 0.298 193 F C 2.914 178.423 175.800 -0.485 0.000 1.111 193 F CA 0.934 58.549 58.000 -0.642 0.000 1.445 193 F CB -0.109 38.459 39.000 -0.720 0.000 1.081 193 F HN 0.357 nan 8.300 nan 0.000 0.558 194 Q N -0.451 119.071 119.800 -0.462 0.000 2.297 194 Q HA -0.154 4.186 4.340 -0.000 0.000 0.204 194 Q C -0.369 175.433 176.000 -0.329 0.000 0.962 194 Q CA 0.988 56.593 55.803 -0.329 0.000 0.879 194 Q CB -0.561 27.926 28.738 -0.418 0.000 0.947 194 Q HN 0.298 nan 8.270 nan 0.000 0.462 195 Y N 2.607 122.818 120.300 -0.147 0.000 2.327 195 Y HA 0.214 4.764 4.550 -0.000 0.000 0.336 195 Y C 0.780 176.598 175.900 -0.137 0.000 1.035 195 Y CA -0.865 57.154 58.100 -0.134 0.000 1.165 195 Y CB 1.119 39.492 38.460 -0.143 0.000 1.181 195 Y HN 0.129 nan 8.280 nan 0.000 0.494 196 S N 3.497 119.201 115.700 0.007 0.000 2.598 196 S HA 0.087 4.557 4.470 -0.000 0.000 0.256 196 S C -1.884 172.665 174.600 -0.084 0.000 1.350 196 S CA -0.907 57.217 58.200 -0.127 0.000 0.984 196 S CB 0.603 63.707 63.200 -0.160 0.000 0.930 196 S HN 0.460 nan 8.310 nan 0.000 0.577 197 P HA 0.097 nan 4.420 nan 0.000 0.219 197 P C 1.526 178.815 177.300 -0.019 0.000 1.150 197 P CA 1.338 64.407 63.100 -0.051 0.000 0.814 197 P CB -0.454 31.228 31.700 -0.030 0.000 0.787 198 G N -0.553 108.219 108.800 -0.047 0.000 2.511 198 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.217 198 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.217 198 G C 1.465 176.355 174.900 -0.017 0.000 1.133 198 G CA 0.243 45.337 45.100 -0.009 0.000 0.792 198 G HN 0.283 nan 8.290 nan 0.000 0.539 199 Q N -0.362 119.427 119.800 -0.019 0.000 2.137 199 Q HA 0.055 4.395 4.340 -0.000 0.000 0.198 199 Q C 2.540 178.422 176.000 -0.198 0.000 0.960 199 Q CA 0.683 56.477 55.803 -0.015 0.000 0.847 199 Q CB -0.082 28.744 28.738 0.146 0.000 0.915 199 Q HN 0.429 nan 8.270 nan 0.000 0.448 200 R N 0.667 121.066 120.500 -0.169 0.000 2.080 200 R HA -0.163 4.177 4.340 -0.000 0.000 0.236 200 R C 2.147 178.357 176.300 -0.151 0.000 1.137 200 R CA 1.468 57.425 56.100 -0.238 0.000 0.943 200 R CB -0.339 29.916 30.300 -0.077 0.000 0.846 200 R HN 0.065 nan 8.270 nan 0.000 0.431 201 V N 1.378 121.242 119.914 -0.084 0.000 2.255 201 V HA -0.292 3.828 4.120 -0.000 0.000 0.247 201 V C 2.373 178.397 176.094 -0.117 0.000 1.051 201 V CA 2.372 64.626 62.300 -0.078 0.000 1.018 201 V CB -0.666 31.154 31.823 -0.004 0.000 0.641 201 V HN 0.535 nan 8.190 nan 0.000 0.445 202 E N -0.573 119.577 120.200 -0.082 0.000 2.086 202 E HA -0.313 4.037 4.350 -0.000 0.000 0.200 202 E C 2.072 178.618 176.600 -0.091 0.000 1.012 202 E CA 2.138 58.493 56.400 -0.075 0.000 0.812 202 E CB -0.266 29.418 29.700 -0.027 0.000 0.743 202 E HN 0.564 nan 8.360 nan 0.000 0.453 203 F N 0.787 120.562 119.950 -0.292 0.000 2.186 203 F HA -0.062 4.465 4.527 0.000 0.000 0.299 203 F C 1.839 177.510 175.800 -0.215 0.000 1.090 203 F CA 1.079 58.895 58.000 -0.306 0.000 1.307 203 F CB -0.161 38.474 39.000 -0.609 0.000 1.019 203 F HN 0.011 nan 8.300 nan 0.000 0.489 204 L N -0.778 120.271 121.223 -0.291 0.000 2.017 204 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 204 L C 2.393 179.096 176.870 -0.279 0.000 1.073 204 L CA 1.164 55.813 54.840 -0.319 0.000 0.745 204 L CB -0.838 41.093 42.059 -0.214 0.000 0.894 204 L HN -0.021 nan 8.230 nan 0.000 0.432 205 V N -0.031 119.712 119.914 -0.285 0.000 2.295 205 V HA -0.261 3.859 4.120 -0.000 0.000 0.246 205 V C 2.202 178.180 176.094 -0.193 0.000 1.049 205 V CA 1.812 63.924 62.300 -0.312 0.000 1.024 205 V CB -0.679 30.806 31.823 -0.564 0.000 0.648 205 V HN 0.470 nan 8.190 nan 0.000 0.447 206 N N 0.020 118.600 118.700 -0.199 0.000 2.188 206 N HA -0.127 4.613 4.740 -0.000 0.000 0.184 206 N C 1.926 177.335 175.510 -0.168 0.000 1.018 206 N CA 1.845 54.808 53.050 -0.145 0.000 0.858 206 N CB -0.574 37.852 38.487 -0.102 0.000 0.989 206 N HN 0.449 nan 8.380 nan 0.000 0.426 207 T N 0.462 114.839 114.554 -0.295 0.000 2.708 207 T HA -0.150 4.200 4.350 -0.000 0.000 0.266 207 T C 1.502 176.120 174.700 -0.137 0.000 1.037 207 T CA 0.734 62.651 62.100 -0.305 0.000 1.146 207 T CB -0.225 68.309 68.868 -0.558 0.000 0.865 207 T HN 0.438 nan 8.240 nan 0.000 0.435 208 W N 2.191 123.328 121.300 -0.273 0.000 2.355 208 W HA -0.083 4.577 4.660 0.000 0.000 0.309 208 W C 1.664 178.097 176.519 -0.144 0.000 1.206 208 W CA 1.098 58.325 57.345 -0.196 0.000 1.284 208 W CB -0.123 29.217 29.460 -0.201 0.000 1.145 208 W HN 0.237 nan 8.180 nan 0.000 0.502 209 K N 0.314 120.698 120.400 -0.026 0.000 2.504 209 K HA -0.089 4.231 4.320 -0.000 0.000 0.195 209 K C 1.929 178.455 176.600 -0.124 0.000 1.036 209 K CA 1.293 57.532 56.287 -0.080 0.000 0.984 209 K CB -0.139 32.347 32.500 -0.023 0.000 0.788 209 K HN 0.059 nan 8.250 nan 0.000 0.488 210 S N 0.199 115.815 115.700 -0.140 0.000 2.558 210 S HA 0.065 4.535 4.470 -0.000 0.000 0.217 210 S C 0.475 174.991 174.600 -0.141 0.000 0.975 210 S CA -0.116 58.013 58.200 -0.118 0.000 0.912 210 S CB 0.140 63.281 63.200 -0.099 0.000 0.776 210 S HN -0.047 nan 8.310 nan 0.000 0.526 211 K N 1.873 122.144 120.400 -0.216 0.000 2.118 211 K HA 0.347 4.667 4.320 -0.000 0.000 0.267 211 K C 0.711 177.189 176.600 -0.203 0.000 0.991 211 K CA -0.506 55.651 56.287 -0.217 0.000 0.916 211 K CB 1.488 33.806 32.500 -0.304 0.000 1.041 211 K HN 0.124 nan 8.250 nan 0.000 0.455 212 K N 1.507 121.821 120.400 -0.143 0.000 2.002 212 K HA -0.086 4.234 4.320 -0.000 0.000 0.209 212 K C -0.137 176.382 176.600 -0.135 0.000 1.048 212 K CA 1.329 57.547 56.287 -0.114 0.000 0.930 212 K CB 0.239 32.692 32.500 -0.077 0.000 0.714 212 K HN 0.452 nan 8.250 nan 0.000 0.438 213 N N 1.837 120.451 118.700 -0.143 0.000 2.682 213 N HA 0.238 4.978 4.740 -0.000 0.000 0.252 213 N C -2.818 172.568 175.510 -0.206 0.000 1.081 213 N CA -1.313 51.654 53.050 -0.138 0.000 0.844 213 N CB 1.781 40.229 38.487 -0.065 0.000 1.167 213 N HN 0.149 nan 8.380 nan 0.000 0.523 214 P HA 0.098 nan 4.420 nan 0.000 0.271 214 P C -0.245 176.770 177.300 -0.475 0.000 1.216 214 P CA -0.166 62.461 63.100 -0.789 0.000 0.771 214 P CB 1.096 31.610 31.700 -1.977 0.000 0.864 215 M N 2.705 122.144 119.600 -0.268 0.000 2.457 215 M HA 0.657 5.137 4.480 -0.000 0.000 0.300 215 M C -0.940 175.399 176.300 0.064 0.000 1.141 215 M CA -0.336 54.897 55.300 -0.113 0.000 0.901 215 M CB 2.480 35.024 32.600 -0.094 0.000 1.687 215 M HN 0.547 nan 8.290 nan 0.000 0.449 216 G N 3.736 112.653 108.800 0.194 0.000 2.619 216 G HA2 0.833 4.793 3.960 -0.000 0.000 0.296 216 G HA3 0.833 4.793 3.960 -0.000 0.000 0.296 216 G C -2.003 172.998 174.900 0.168 0.000 1.334 216 G CA -0.600 44.607 45.100 0.179 0.000 0.934 216 G HN 0.763 nan 8.290 nan 0.000 0.476 217 F N -0.376 119.529 119.950 -0.075 0.000 2.641 217 F HA 0.768 5.295 4.527 0.000 0.000 0.308 217 F C -0.106 175.667 175.800 -0.045 0.000 1.105 217 F CA -1.580 56.373 58.000 -0.079 0.000 0.964 217 F CB 1.236 40.176 39.000 -0.100 0.000 1.294 217 F HN 0.615 nan 8.300 nan 0.000 0.442 218 S N 1.363 117.094 115.700 0.053 0.000 2.610 218 S HA 0.592 5.062 4.470 -0.000 0.000 0.273 218 S C -1.408 173.336 174.600 0.239 0.000 1.274 218 S CA -0.518 57.703 58.200 0.036 0.000 1.023 218 S CB 1.459 64.671 63.200 0.021 0.000 0.962 218 S HN 0.836 nan 8.310 nan 0.000 0.523 219 Y N 1.126 121.493 120.300 0.112 0.000 2.326 219 Y HA 0.414 4.963 4.550 -0.000 0.000 0.331 219 Y C -1.017 174.989 175.900 0.176 0.000 0.962 219 Y CA -0.887 57.352 58.100 0.230 0.000 1.167 219 Y CB 1.418 40.098 38.460 0.366 0.000 1.148 219 Y HN 0.830 nan 8.280 nan 0.000 0.463 220 D N 4.569 124.805 120.400 -0.274 0.000 2.428 220 D HA 0.191 4.831 4.640 -0.000 0.000 0.221 220 D C -0.631 175.535 176.300 -0.222 0.000 1.123 220 D CA -0.018 53.895 54.000 -0.146 0.000 0.869 220 D CB 0.880 41.618 40.800 -0.105 0.000 1.032 220 D HN 0.485 nan 8.370 nan 0.000 0.506 221 T N 3.748 118.362 114.554 0.101 0.000 2.870 221 T HA 0.096 4.446 4.350 -0.000 0.000 0.300 221 T C 0.562 175.364 174.700 0.170 0.000 0.989 221 T CA -0.327 61.925 62.100 0.252 0.000 1.139 221 T CB 0.587 69.824 68.868 0.615 0.000 0.920 221 T HN 0.271 nan 8.240 nan 0.000 0.537 222 R N 2.332 122.890 120.500 0.097 0.000 2.343 222 R HA 0.165 4.505 4.340 -0.000 0.000 0.326 222 R C -0.244 176.135 176.300 0.131 0.000 1.055 222 R CA -0.250 55.886 56.100 0.060 0.000 0.961 222 R CB -0.704 29.578 30.300 -0.029 0.000 0.978 222 R HN 0.936 nan 8.270 nan 0.000 0.443 223 C N 5.463 124.866 119.300 0.172 0.000 3.690 223 C HA -0.166 4.294 4.460 -0.000 0.000 0.295 223 C C 1.357 176.534 174.990 0.311 0.000 1.283 223 C CA 0.133 59.295 59.018 0.239 0.000 2.212 223 C CB -2.888 25.001 27.740 0.249 0.000 1.407 223 C HN 1.026 nan 8.230 nan 0.000 0.595 224 F N 1.820 121.880 119.950 0.184 0.000 2.087 224 F HA -0.210 4.317 4.527 -0.000 0.000 0.299 224 F C 1.920 177.837 175.800 0.194 0.000 1.100 224 F CA 2.465 60.582 58.000 0.194 0.000 1.226 224 F CB 0.003 39.109 39.000 0.177 0.000 0.983 224 F HN 0.482 nan 8.300 nan 0.000 0.479 225 D N -0.524 120.121 120.400 0.408 0.000 2.149 225 D HA -0.164 4.476 4.640 -0.000 0.000 0.198 225 D C 2.429 178.817 176.300 0.147 0.000 0.990 225 D CA 1.576 55.750 54.000 0.290 0.000 0.839 225 D CB -0.429 40.544 40.800 0.290 0.000 0.948 225 D HN 0.240 nan 8.370 nan 0.000 0.460 226 S N -0.765 115.054 115.700 0.199 0.000 2.489 226 S HA -0.079 4.391 4.470 -0.000 0.000 0.228 226 S C 1.960 176.559 174.600 -0.001 0.000 0.995 226 S CA 1.210 59.485 58.200 0.126 0.000 0.934 226 S CB -0.084 63.344 63.200 0.379 0.000 0.771 226 S HN 0.514 nan 8.310 nan 0.000 0.522 227 T N -0.659 113.940 114.554 0.075 0.000 3.088 227 T HA 0.141 4.491 4.350 -0.000 0.000 0.259 227 T C 0.606 175.218 174.700 -0.147 0.000 1.122 227 T CA 0.035 62.151 62.100 0.027 0.000 1.095 227 T CB -0.341 68.509 68.868 -0.030 0.000 0.930 227 T HN 0.019 nan 8.240 nan 0.000 0.508 228 V N 4.035 123.833 119.914 -0.192 0.000 2.479 228 V HA 0.326 4.446 4.120 -0.000 0.000 0.281 228 V C 1.082 177.110 176.094 -0.109 0.000 1.031 228 V CA -0.277 61.935 62.300 -0.146 0.000 1.038 228 V CB 0.134 31.918 31.823 -0.065 0.000 0.981 228 V HN 0.714 nan 8.190 nan 0.000 0.478 229 T N 0.729 115.233 114.554 -0.083 0.000 2.927 229 T HA 0.326 4.676 4.350 -0.000 0.000 0.281 229 T C 1.058 175.725 174.700 -0.055 0.000 0.998 229 T CA -0.231 61.819 62.100 -0.084 0.000 1.019 229 T CB 1.603 70.429 68.868 -0.070 0.000 1.061 229 T HN 0.716 nan 8.240 nan 0.000 0.518 230 E N 0.772 120.936 120.200 -0.060 0.000 2.070 230 E HA -0.323 4.027 4.350 -0.000 0.000 0.197 230 E C 1.944 178.534 176.600 -0.017 0.000 1.004 230 E CA 1.613 57.992 56.400 -0.035 0.000 0.805 230 E CB -0.193 29.481 29.700 -0.043 0.000 0.744 230 E HN 0.729 nan 8.360 nan 0.000 0.451 231 N N 0.158 118.842 118.700 -0.025 0.000 2.104 231 N HA -0.185 4.555 4.740 -0.000 0.000 0.190 231 N C 1.275 176.790 175.510 0.009 0.000 1.024 231 N CA 1.604 54.646 53.050 -0.014 0.000 0.853 231 N CB -0.128 38.340 38.487 -0.031 0.000 1.008 231 N HN 0.219 nan 8.380 nan 0.000 0.424 232 D N 0.839 121.245 120.400 0.010 0.000 2.123 232 D HA -0.112 4.528 4.640 -0.000 0.000 0.196 232 D C 2.000 178.316 176.300 0.026 0.000 0.992 232 D CA 0.808 54.832 54.000 0.039 0.000 0.833 232 D CB -0.233 40.585 40.800 0.031 0.000 0.954 232 D HN 0.418 nan 8.370 nan 0.000 0.455 233 I N 0.483 121.067 120.570 0.023 0.000 2.439 233 I HA -0.130 4.040 4.170 -0.000 0.000 0.251 233 I C 2.392 178.528 176.117 0.031 0.000 1.139 233 I CA 0.651 61.975 61.300 0.040 0.000 1.438 233 I CB 0.004 38.045 38.000 0.069 0.000 1.085 233 I HN -0.119 nan 8.210 nan 0.000 0.427 234 R N 0.077 120.589 120.500 0.020 0.000 2.115 234 R HA -0.053 4.287 4.340 -0.000 0.000 0.226 234 R C 2.273 178.561 176.300 -0.020 0.000 1.100 234 R CA 0.961 57.068 56.100 0.011 0.000 0.980 234 R CB -0.349 29.956 30.300 0.009 0.000 0.875 234 R HN 0.235 nan 8.270 nan 0.000 0.445 235 V N 1.511 121.414 119.914 -0.019 0.000 2.427 235 V HA -0.211 3.909 4.120 -0.000 0.000 0.248 235 V C 1.959 177.970 176.094 -0.138 0.000 1.051 235 V CA 1.741 64.017 62.300 -0.040 0.000 1.048 235 V CB -0.400 31.435 31.823 0.020 0.000 0.666 235 V HN 0.335 nan 8.190 nan 0.000 0.456 236 E N -0.231 119.863 120.200 -0.177 0.000 2.058 236 E HA -0.250 4.100 4.350 -0.000 0.000 0.194 236 E C 2.353 178.478 176.600 -0.791 0.000 0.997 236 E CA 1.264 57.403 56.400 -0.435 0.000 0.801 236 E CB -0.202 29.326 29.700 -0.287 0.000 0.746 236 E HN 0.525 nan 8.360 nan 0.000 0.450 237 E N 0.765 120.764 120.200 -0.335 0.000 2.058 237 E HA -0.224 4.125 4.350 -0.000 0.000 0.194 237 E C 2.191 178.733 176.600 -0.096 0.000 0.997 237 E CA 1.209 57.561 56.400 -0.081 0.000 0.801 237 E CB -0.152 29.599 29.700 0.086 0.000 0.746 237 E HN 0.092 nan 8.360 nan 0.000 0.450 238 S N -0.030 115.609 115.700 -0.101 0.000 2.400 238 S HA -0.126 4.344 4.470 -0.000 0.000 0.232 238 S C 2.118 176.667 174.600 -0.085 0.000 1.025 238 S CA 1.103 59.266 58.200 -0.062 0.000 0.993 238 S CB -0.239 62.931 63.200 -0.050 0.000 0.808 238 S HN 0.295 nan 8.310 nan 0.000 0.478 239 I N -0.014 120.443 120.570 -0.188 0.000 2.286 239 I HA -0.108 4.062 4.170 -0.000 0.000 0.245 239 I C 1.972 178.053 176.117 -0.061 0.000 1.104 239 I CA 0.970 62.173 61.300 -0.161 0.000 1.397 239 I CB -0.488 37.375 38.000 -0.229 0.000 1.072 239 I HN 0.311 nan 8.210 nan 0.000 0.417 240 Y N 1.206 121.508 120.300 0.003 0.000 2.128 240 Y HA -0.249 4.301 4.550 0.000 0.000 0.284 240 Y C 2.697 178.601 175.900 0.007 0.000 1.154 240 Y CA 0.798 58.901 58.100 0.006 0.000 1.149 240 Y CB -1.095 37.382 38.460 0.028 0.000 0.976 240 Y HN 0.225 nan 8.280 nan 0.000 0.505 241 Q N -1.186 118.708 119.800 0.156 0.000 2.364 241 Q HA -0.132 4.208 4.340 -0.000 0.000 0.207 241 Q C 2.377 178.409 176.000 0.053 0.000 0.970 241 Q CA 0.991 56.849 55.803 0.091 0.000 0.888 241 Q CB -0.895 27.881 28.738 0.064 0.000 0.951 241 Q HN 0.518 nan 8.270 nan 0.000 0.469 242 C N 0.283 119.607 119.300 0.039 0.000 2.419 242 C HA -0.062 4.398 4.460 -0.000 0.000 0.283 242 C C 1.597 176.601 174.990 0.023 0.000 1.373 242 C CA -0.614 58.416 59.018 0.019 0.000 1.781 242 C CB -0.759 26.982 27.740 0.001 0.000 1.886 242 C HN 0.415 nan 8.230 nan 0.000 0.520 243 C N 1.565 120.889 119.300 0.041 0.000 2.700 243 C HA 0.143 4.603 4.460 -0.000 0.000 0.397 243 C C 0.547 175.552 174.990 0.026 0.000 1.301 243 C CA -0.232 58.804 59.018 0.031 0.000 2.219 243 C CB -0.177 27.589 27.740 0.043 0.000 2.699 243 C HN 0.494 nan 8.230 nan 0.000 0.669 244 D N 1.737 122.146 120.400 0.015 0.000 2.374 244 D HA 0.413 5.053 4.640 -0.000 0.000 0.240 244 D C -0.475 175.836 176.300 0.019 0.000 1.229 244 D CA 0.333 54.342 54.000 0.015 0.000 0.895 244 D CB -0.112 40.693 40.800 0.007 0.000 1.046 244 D HN 0.367 nan 8.370 nan 0.000 0.498 245 L N 1.882 123.121 121.223 0.027 0.000 2.303 245 L HA 0.709 5.049 4.340 -0.000 0.000 0.266 245 L C 0.583 177.474 176.870 0.035 0.000 1.011 245 L CA -1.545 53.316 54.840 0.034 0.000 0.818 245 L CB 1.616 43.703 42.059 0.045 0.000 1.326 245 L HN 0.299 nan 8.230 nan 0.000 0.435 246 A N 1.290 124.136 122.820 0.043 0.000 2.407 246 A HA 0.375 4.695 4.320 -0.000 0.000 0.248 246 A C -1.832 175.785 177.584 0.055 0.000 1.082 246 A CA -1.004 51.062 52.037 0.048 0.000 0.785 246 A CB -0.016 19.019 19.000 0.059 0.000 1.020 246 A HN 0.600 nan 8.150 nan 0.000 0.489 247 P HA -0.215 nan 4.420 nan 0.000 0.215 247 P C 1.312 178.641 177.300 0.047 0.000 1.163 247 P CA 1.808 64.932 63.100 0.039 0.000 0.894 247 P CB 0.175 31.894 31.700 0.031 0.000 0.791 248 E N -0.736 119.513 120.200 0.081 0.000 2.118 248 E HA -0.205 4.145 4.350 -0.000 0.000 0.195 248 E C 1.946 178.624 176.600 0.130 0.000 0.992 248 E CA 1.240 57.709 56.400 0.115 0.000 0.804 248 E CB -0.526 29.315 29.700 0.235 0.000 0.741 248 E HN 0.089 nan 8.360 nan 0.000 0.458 249 A N 1.057 123.973 122.820 0.160 0.000 1.898 249 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 249 A C 2.082 179.712 177.584 0.077 0.000 1.181 249 A CA 1.289 53.423 52.037 0.162 0.000 0.620 249 A CB -0.387 18.692 19.000 0.133 0.000 0.819 249 A HN 0.161 nan 8.150 nan 0.000 0.442 250 R N -0.911 119.620 120.500 0.053 0.000 2.091 250 R HA -0.214 4.125 4.340 -0.000 0.000 0.238 250 R C 2.474 178.775 176.300 0.002 0.000 1.136 250 R CA 1.795 57.916 56.100 0.036 0.000 0.959 250 R CB -0.339 29.979 30.300 0.030 0.000 0.856 250 R HN 0.677 nan 8.270 nan 0.000 0.437 251 Q N 0.734 120.516 119.800 -0.031 0.000 2.046 251 Q HA -0.085 4.255 4.340 -0.000 0.000 0.200 251 Q C 1.969 177.882 176.000 -0.145 0.000 0.975 251 Q CA 1.956 57.709 55.803 -0.084 0.000 0.836 251 Q CB -0.192 28.481 28.738 -0.109 0.000 0.896 251 Q HN 0.339 nan 8.270 nan 0.000 0.428 252 A N 0.023 122.722 122.820 -0.202 0.000 1.930 252 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 252 A C 2.107 179.608 177.584 -0.138 0.000 1.175 252 A CA 1.356 53.212 52.037 -0.301 0.000 0.627 252 A CB -0.645 18.067 19.000 -0.479 0.000 0.815 252 A HN 0.483 nan 8.150 nan 0.000 0.443 253 I N -0.445 120.105 120.570 -0.033 0.000 2.252 253 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 253 I C 2.525 178.668 176.117 0.044 0.000 1.102 253 I CA 1.758 63.082 61.300 0.040 0.000 1.385 253 I CB -0.193 37.858 38.000 0.086 0.000 1.064 253 I HN 0.390 nan 8.210 nan 0.000 0.414 254 K N 0.532 120.941 120.400 0.015 0.000 2.032 254 K HA -0.233 4.087 4.320 -0.000 0.000 0.209 254 K C 2.354 178.925 176.600 -0.048 0.000 1.048 254 K CA 2.031 58.320 56.287 0.004 0.000 0.927 254 K CB -0.175 32.318 32.500 -0.011 0.000 0.712 254 K HN 0.115 nan 8.250 nan 0.000 0.441 255 S N 0.698 116.338 115.700 -0.100 0.000 2.356 255 S HA -0.092 4.378 4.470 -0.000 0.000 0.223 255 S C 1.992 176.484 174.600 -0.180 0.000 1.032 255 S CA 1.219 59.336 58.200 -0.138 0.000 1.005 255 S CB -0.278 62.811 63.200 -0.185 0.000 0.867 255 S HN 0.353 nan 8.310 nan 0.000 0.449 256 L N 0.688 121.766 121.223 -0.241 0.000 2.042 256 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 256 L C 2.745 179.275 176.870 -0.566 0.000 1.076 256 L CA 1.645 56.206 54.840 -0.465 0.000 0.749 256 L CB -1.097 40.623 42.059 -0.565 0.000 0.893 256 L HN 0.344 nan 8.230 nan 0.000 0.432 257 T N -1.151 113.259 114.554 -0.240 0.000 2.652 257 T HA -0.239 4.111 4.350 -0.000 0.000 0.267 257 T C 1.812 176.501 174.700 -0.018 0.000 1.039 257 T CA 1.638 63.746 62.100 0.014 0.000 1.153 257 T CB -0.131 68.828 68.868 0.152 0.000 0.863 257 T HN 0.212 nan 8.240 nan 0.000 0.428 258 E N 0.751 120.923 120.200 -0.047 0.000 2.106 258 E HA -0.001 4.349 4.350 -0.000 0.000 0.192 258 E C 2.275 178.844 176.600 -0.051 0.000 0.984 258 E CA 1.043 57.421 56.400 -0.037 0.000 0.806 258 E CB 0.053 29.728 29.700 -0.041 0.000 0.750 258 E HN 0.354 nan 8.360 nan 0.000 0.458 259 R N -1.164 119.281 120.500 -0.092 0.000 2.254 259 R HA 0.145 4.485 4.340 -0.000 0.000 0.195 259 R C 1.318 177.574 176.300 -0.073 0.000 0.957 259 R CA 0.494 56.547 56.100 -0.077 0.000 1.024 259 R CB 0.373 30.617 30.300 -0.093 0.000 0.952 259 R HN 0.146 nan 8.270 nan 0.000 0.484 260 L N -2.565 118.588 121.223 -0.117 0.000 2.603 260 L HA 0.183 4.523 4.340 -0.000 0.000 0.189 260 L C 1.121 178.032 176.870 0.068 0.000 1.082 260 L CA 0.657 55.452 54.840 -0.075 0.000 0.921 260 L CB -0.227 41.716 42.059 -0.193 0.000 1.694 260 L HN -0.152 nan 8.230 nan 0.000 0.491 261 Y N 1.551 121.877 120.300 0.044 0.000 2.200 261 Y HA -0.026 4.523 4.550 -0.000 0.000 0.290 261 Y C 2.548 178.467 175.900 0.031 0.000 1.137 261 Y CA 1.531 59.664 58.100 0.055 0.000 1.163 261 Y CB -1.067 37.443 38.460 0.083 0.000 0.988 261 Y HN 0.386 nan 8.280 nan 0.000 0.518 262 I N -2.587 118.081 120.570 0.163 0.000 2.439 262 I HA 0.285 4.455 4.170 -0.000 0.000 0.251 262 I C 1.177 177.308 176.117 0.023 0.000 1.139 262 I CA 1.224 62.568 61.300 0.073 0.000 1.438 262 I CB -0.429 37.593 38.000 0.037 0.000 1.085 262 I HN 0.096 nan 8.210 nan 0.000 0.427 263 G N -0.635 108.183 108.800 0.030 0.000 2.321 263 G HA2 0.522 4.481 3.960 -0.000 0.000 0.296 263 G HA3 0.522 4.481 3.960 -0.000 0.000 0.296 263 G C -0.885 174.033 174.900 0.030 0.000 1.287 263 G CA -0.247 44.855 45.100 0.003 0.000 0.846 263 G HN 0.735 nan 8.290 nan 0.000 0.508 264 G N -1.088 107.743 108.800 0.051 0.000 2.337 264 G HA2 0.656 4.616 3.960 -0.000 0.000 0.298 264 G HA3 0.656 4.616 3.960 -0.000 0.000 0.298 264 G C -3.457 171.477 174.900 0.056 0.000 1.335 264 G CA 0.116 45.260 45.100 0.075 0.000 0.875 264 G HN 0.788 nan 8.290 nan 0.000 0.579 265 P HA 0.491 nan 4.420 nan 0.000 0.274 265 P C -0.590 176.566 177.300 -0.240 0.000 1.231 265 P CA -0.210 62.652 63.100 -0.397 0.000 0.790 265 P CB 1.226 32.711 31.700 -0.359 0.000 0.951 266 L N 2.013 123.073 121.223 -0.272 0.000 2.325 266 L HA 0.403 4.743 4.340 -0.000 0.000 0.281 266 L C 0.354 177.167 176.870 -0.095 0.000 1.004 266 L CA -0.257 54.518 54.840 -0.110 0.000 0.823 266 L CB 1.695 43.751 42.059 -0.005 0.000 1.236 266 L HN 0.261 nan 8.230 nan 0.000 0.415 267 T N 1.808 116.310 114.554 -0.087 0.000 2.779 267 T HA 0.300 4.650 4.350 -0.000 0.000 0.280 267 T C -0.020 174.647 174.700 -0.056 0.000 0.987 267 T CA -0.772 61.283 62.100 -0.074 0.000 0.966 267 T CB 1.243 70.058 68.868 -0.089 0.000 0.933 267 T HN 0.641 nan 8.240 nan 0.000 0.442 268 N N 1.033 119.718 118.700 -0.025 0.000 2.322 268 N HA 0.095 4.835 4.740 -0.000 0.000 0.270 268 N C 1.327 176.824 175.510 -0.023 0.000 1.286 268 N CA -0.379 52.663 53.050 -0.012 0.000 0.948 268 N CB 0.092 38.581 38.487 0.004 0.000 1.164 268 N HN 0.420 nan 8.380 nan 0.000 0.551 269 S N -2.108 113.589 115.700 -0.005 0.000 2.515 269 S HA 0.018 4.488 4.470 -0.000 0.000 0.231 269 S C 0.843 175.438 174.600 -0.008 0.000 0.987 269 S CA 0.364 58.564 58.200 0.001 0.000 0.936 269 S CB -0.240 62.975 63.200 0.024 0.000 0.766 269 S HN 0.475 nan 8.310 nan 0.000 0.528 270 K N 0.837 121.231 120.400 -0.011 0.000 2.387 270 K HA 0.310 4.629 4.320 -0.000 0.000 0.198 270 K C 1.280 177.867 176.600 -0.022 0.000 1.022 270 K CA 0.473 56.752 56.287 -0.013 0.000 1.128 270 K CB -0.064 32.432 32.500 -0.007 0.000 0.853 270 K HN 0.544 nan 8.250 nan 0.000 0.523 271 G N 1.258 110.039 108.800 -0.031 0.000 2.157 271 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.248 271 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.248 271 G C -0.048 174.833 174.900 -0.031 0.000 0.979 271 G CA -0.143 44.934 45.100 -0.038 0.000 0.650 271 G HN 0.250 nan 8.290 nan 0.000 0.529 272 Q N 0.501 120.287 119.800 -0.023 0.000 2.243 272 Q HA 0.231 4.571 4.340 -0.000 0.000 0.252 272 Q C 0.223 176.209 176.000 -0.023 0.000 0.909 272 Q CA -0.577 55.217 55.803 -0.016 0.000 0.922 272 Q CB 1.146 29.882 28.738 -0.003 0.000 1.215 272 Q HN 0.485 nan 8.270 nan 0.000 0.427 273 N N 1.516 120.199 118.700 -0.028 0.000 2.475 273 N HA 0.013 4.753 4.740 -0.000 0.000 0.267 273 N C 0.185 175.690 175.510 -0.008 0.000 1.169 273 N CA -0.005 53.012 53.050 -0.055 0.000 0.947 273 N CB 0.546 38.986 38.487 -0.079 0.000 1.061 273 N HN 0.697 nan 8.380 nan 0.000 0.466 274 C N 1.707 121.016 119.300 0.016 0.000 3.255 274 C HA 0.690 5.150 4.460 -0.000 0.000 0.282 274 C C 0.777 175.906 174.990 0.232 0.000 1.441 274 C CA -0.069 59.023 59.018 0.123 0.000 1.785 274 C CB -0.823 27.001 27.740 0.140 0.000 2.583 274 C HN 0.798 nan 8.230 nan 0.000 0.615 275 G N -0.293 108.526 108.800 0.032 0.000 2.350 275 G HA2 0.393 4.353 3.960 -0.000 0.000 0.276 275 G HA3 0.393 4.353 3.960 -0.000 0.000 0.276 275 G C -2.228 172.495 174.900 -0.296 0.000 1.313 275 G CA -0.585 44.505 45.100 -0.015 0.000 0.903 275 G HN 0.218 nan 8.290 nan 0.000 0.490 276 Y N -0.187 120.002 120.300 -0.185 0.000 2.512 276 Y HA 0.784 5.334 4.550 0.000 0.000 0.348 276 Y C 0.473 176.242 175.900 -0.219 0.000 0.990 276 Y CA -0.775 57.232 58.100 -0.155 0.000 1.033 276 Y CB 2.369 40.751 38.460 -0.130 0.000 1.259 276 Y HN 0.694 nan 8.280 nan 0.000 0.461 277 R N 2.116 122.602 120.500 -0.024 0.000 2.589 277 R HA 0.606 4.946 4.340 -0.000 0.000 0.293 277 R C -0.578 175.588 176.300 -0.223 0.000 0.963 277 R CA -0.656 55.311 56.100 -0.222 0.000 0.905 277 R CB 0.979 31.206 30.300 -0.122 0.000 1.144 277 R HN 0.901 nan 8.270 nan 0.000 0.459 278 R N 2.842 123.116 120.500 -0.377 0.000 2.642 278 R HA 0.216 4.556 4.340 -0.000 0.000 0.435 278 R C -0.544 175.591 176.300 -0.275 0.000 1.046 278 R CA -0.290 55.657 56.100 -0.256 0.000 1.103 278 R CB 0.524 30.687 30.300 -0.228 0.000 1.425 278 R HN 0.787 nan 8.270 nan 0.000 0.586 279 C N -1.802 117.303 119.300 -0.324 0.000 3.308 279 C HA 0.614 5.074 4.460 -0.000 0.000 0.360 279 C C -0.100 174.831 174.990 -0.097 0.000 1.695 279 C CA -1.504 57.377 59.018 -0.228 0.000 1.366 279 C CB 1.150 28.703 27.740 -0.312 0.000 2.121 279 C HN 0.300 nan 8.230 nan 0.000 0.442 280 R N 1.151 121.643 120.500 -0.014 0.000 2.538 280 R HA 0.462 4.802 4.340 -0.000 0.000 0.282 280 R C 0.120 176.484 176.300 0.107 0.000 1.009 280 R CA 0.964 57.107 56.100 0.072 0.000 1.063 280 R CB -0.155 30.225 30.300 0.134 0.000 0.945 280 R HN 1.127 nan 8.270 nan 0.000 0.414 281 A N 3.396 126.293 122.820 0.128 0.000 2.363 281 A HA 0.227 4.547 4.320 -0.000 0.000 0.270 281 A C 1.100 178.791 177.584 0.178 0.000 1.121 281 A CA 0.124 52.263 52.037 0.170 0.000 0.800 281 A CB 0.577 19.686 19.000 0.181 0.000 1.052 281 A HN 1.022 nan 8.150 nan 0.000 0.493 282 S N 2.040 117.862 115.700 0.203 0.000 2.428 282 S HA 0.036 4.506 4.470 -0.000 0.000 0.230 282 S C 1.192 175.893 174.600 0.167 0.000 1.014 282 S CA 1.029 59.341 58.200 0.186 0.000 0.957 282 S CB -0.105 63.213 63.200 0.196 0.000 0.784 282 S HN 1.287 nan 8.310 nan 0.000 0.499 283 G N 1.913 110.837 108.800 0.206 0.000 3.936 283 G HA2 0.498 4.458 3.960 -0.000 0.000 0.296 283 G HA3 0.498 4.458 3.960 -0.000 0.000 0.296 283 G C 0.054 175.076 174.900 0.204 0.000 1.121 283 G CA 0.052 45.273 45.100 0.201 0.000 0.899 283 G HN 0.609 nan 8.290 nan 0.000 0.542 284 V N -2.424 117.593 119.914 0.172 0.000 2.966 284 V HA 0.551 4.671 4.120 -0.000 0.000 0.317 284 V C 1.567 177.713 176.094 0.087 0.000 1.070 284 V CA -0.906 61.502 62.300 0.179 0.000 1.008 284 V CB 1.715 33.696 31.823 0.263 0.000 1.070 284 V HN 0.043 nan 8.190 nan 0.000 0.457 285 L N 2.667 123.951 121.223 0.103 0.000 2.127 285 L HA -0.075 4.265 4.340 -0.000 0.000 0.211 285 L C 2.291 179.133 176.870 -0.047 0.000 1.089 285 L CA 2.982 57.848 54.840 0.044 0.000 0.757 285 L CB -0.781 41.330 42.059 0.087 0.000 0.899 285 L HN 1.091 nan 8.230 nan 0.000 0.434 286 T N -6.158 108.307 114.554 -0.149 0.000 3.129 286 T HA 0.013 4.363 4.350 -0.000 0.000 0.251 286 T C 1.564 176.199 174.700 -0.108 0.000 1.117 286 T CA 0.694 62.672 62.100 -0.203 0.000 1.034 286 T CB -0.651 67.946 68.868 -0.452 0.000 0.968 286 T HN 0.268 nan 8.240 nan 0.000 0.526 287 T N 1.978 116.497 114.554 -0.057 0.000 2.684 287 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 287 T C 2.211 176.944 174.700 0.055 0.000 1.036 287 T CA 1.760 63.873 62.100 0.023 0.000 1.148 287 T CB -0.591 68.314 68.868 0.062 0.000 0.863 287 T HN 0.544 nan 8.240 nan 0.000 0.436 288 S N -0.259 115.453 115.700 0.020 0.000 2.355 288 S HA -0.135 4.335 4.470 -0.000 0.000 0.222 288 S C 2.445 177.105 174.600 0.099 0.000 1.031 288 S CA 1.320 59.540 58.200 0.034 0.000 0.993 288 S CB -0.925 62.198 63.200 -0.128 0.000 0.859 288 S HN 0.667 nan 8.310 nan 0.000 0.453 289 C N 1.296 120.628 119.300 0.053 0.000 2.432 289 C HA 0.114 4.574 4.460 -0.000 0.000 0.277 289 C C 2.848 177.920 174.990 0.137 0.000 1.249 289 C CA 1.131 60.210 59.018 0.101 0.000 1.725 289 C CB -1.788 25.978 27.740 0.043 0.000 2.028 289 C HN 0.710 nan 8.230 nan 0.000 0.477 290 G N 0.506 109.381 108.800 0.125 0.000 2.421 290 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.216 290 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.216 290 G C 1.502 176.510 174.900 0.180 0.000 1.171 290 G CA 1.128 46.310 45.100 0.137 0.000 0.775 290 G HN 0.594 nan 8.290 nan 0.000 0.543 291 N N 0.365 119.181 118.700 0.193 0.000 2.120 291 N HA -0.074 4.666 4.740 -0.000 0.000 0.188 291 N C 2.395 177.976 175.510 0.120 0.000 1.024 291 N CA 1.557 54.735 53.050 0.213 0.000 0.852 291 N CB -0.749 37.772 38.487 0.056 0.000 1.003 291 N HN 0.235 nan 8.380 nan 0.000 0.424 292 T N 1.661 116.305 114.554 0.150 0.000 2.708 292 T HA -0.022 4.328 4.350 -0.000 0.000 0.266 292 T C 2.093 176.905 174.700 0.185 0.000 1.037 292 T CA 0.743 62.951 62.100 0.179 0.000 1.146 292 T CB -0.307 68.749 68.868 0.312 0.000 0.865 292 T HN 0.133 nan 8.240 nan 0.000 0.435 293 L N 0.517 121.833 121.223 0.156 0.000 2.046 293 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 293 L C 2.899 179.883 176.870 0.190 0.000 1.077 293 L CA 1.260 56.177 54.840 0.128 0.000 0.747 293 L CB -0.889 41.201 42.059 0.053 0.000 0.896 293 L HN 0.296 nan 8.230 nan 0.000 0.432 294 T N -1.568 113.115 114.554 0.216 0.000 2.857 294 T HA -0.184 4.166 4.350 -0.000 0.000 0.266 294 T C 2.002 176.905 174.700 0.337 0.000 1.048 294 T CA 1.155 63.407 62.100 0.254 0.000 1.139 294 T CB -0.349 68.695 68.868 0.294 0.000 0.874 294 T HN 0.429 nan 8.240 nan 0.000 0.455 295 C N 0.813 120.358 119.300 0.407 0.000 2.436 295 C HA -0.119 4.341 4.460 -0.000 0.000 0.277 295 C C 2.378 177.524 174.990 0.260 0.000 1.241 295 C CA 0.677 59.913 59.018 0.364 0.000 1.721 295 C CB -1.373 26.455 27.740 0.147 0.000 2.043 295 C HN 0.657 nan 8.230 nan 0.000 0.472 296 Y N 1.207 121.575 120.300 0.114 0.000 2.128 296 Y HA -0.175 4.375 4.550 0.000 0.000 0.284 296 Y C 2.168 178.093 175.900 0.041 0.000 1.154 296 Y CA 2.255 60.400 58.100 0.075 0.000 1.149 296 Y CB -0.668 37.825 38.460 0.055 0.000 0.976 296 Y HN 0.369 nan 8.280 nan 0.000 0.505 297 L N 0.943 122.209 121.223 0.071 0.000 1.994 297 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 297 L C 2.162 178.927 176.870 -0.176 0.000 1.071 297 L CA 2.035 56.796 54.840 -0.132 0.000 0.745 297 L CB -0.954 41.020 42.059 -0.142 0.000 0.892 297 L HN 0.138 nan 8.230 nan 0.000 0.431 298 K N -0.409 119.983 120.400 -0.013 0.000 2.057 298 K HA -0.086 4.234 4.320 -0.000 0.000 0.207 298 K C 2.092 178.731 176.600 0.065 0.000 1.049 298 K CA 1.394 57.715 56.287 0.057 0.000 0.931 298 K CB -0.412 32.214 32.500 0.211 0.000 0.714 298 K HN 0.520 nan 8.250 nan 0.000 0.440 299 A N 0.851 123.692 122.820 0.035 0.000 1.898 299 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 299 A C 2.208 179.809 177.584 0.029 0.000 1.181 299 A CA 1.692 53.762 52.037 0.056 0.000 0.620 299 A CB -0.508 18.591 19.000 0.165 0.000 0.819 299 A HN 0.157 nan 8.150 nan 0.000 0.442 300 S N -0.154 115.453 115.700 -0.155 0.000 2.370 300 S HA -0.091 4.379 4.470 -0.000 0.000 0.226 300 S C 2.288 176.832 174.600 -0.094 0.000 1.033 300 S CA 1.316 59.387 58.200 -0.215 0.000 1.011 300 S CB -0.424 62.485 63.200 -0.485 0.000 0.852 300 S HN 0.791 nan 8.310 nan 0.000 0.457 301 A N 1.413 124.196 122.820 -0.062 0.000 1.898 301 A HA 0.195 4.515 4.320 -0.000 0.000 0.216 301 A C 2.361 180.008 177.584 0.106 0.000 1.181 301 A CA 1.578 53.644 52.037 0.047 0.000 0.620 301 A CB -1.097 17.939 19.000 0.060 0.000 0.819 301 A HN 0.508 nan 8.150 nan 0.000 0.442 302 A N -0.910 121.977 122.820 0.111 0.000 1.940 302 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 302 A C 2.275 179.860 177.584 0.001 0.000 1.176 302 A CA 1.748 53.691 52.037 -0.156 0.000 0.631 302 A CB -1.325 17.179 19.000 -0.828 0.000 0.814 302 A HN 0.596 nan 8.150 nan 0.000 0.446 303 C N -1.102 118.306 119.300 0.181 0.000 2.425 303 C HA -0.083 4.377 4.460 -0.000 0.000 0.277 303 C C 2.904 177.921 174.990 0.044 0.000 1.280 303 C CA 1.142 60.309 59.018 0.247 0.000 1.744 303 C CB -1.310 26.537 27.740 0.179 0.000 1.989 303 C HN 0.614 nan 8.230 nan 0.000 0.491 304 R N 0.986 121.421 120.500 -0.108 0.000 2.066 304 R HA -0.055 4.285 4.340 -0.000 0.000 0.232 304 R C 2.481 178.550 176.300 -0.384 0.000 1.131 304 R CA 1.494 57.402 56.100 -0.320 0.000 0.955 304 R CB -0.601 29.346 30.300 -0.588 0.000 0.851 304 R HN 0.503 nan 8.270 nan 0.000 0.432 305 A N 1.393 124.013 122.820 -0.332 0.000 1.917 305 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 305 A C 2.265 179.847 177.584 -0.003 0.000 1.182 305 A CA 2.022 54.023 52.037 -0.058 0.000 0.633 305 A CB -0.617 18.400 19.000 0.028 0.000 0.819 305 A HN 0.432 nan 8.150 nan 0.000 0.448 306 A N -1.978 120.856 122.820 0.023 0.000 2.178 306 A HA 0.265 4.585 4.320 -0.000 0.000 0.211 306 A C 1.063 178.675 177.584 0.048 0.000 1.157 306 A CA 0.877 52.955 52.037 0.068 0.000 0.780 306 A CB -0.300 18.804 19.000 0.173 0.000 0.828 306 A HN 0.492 nan 8.150 nan 0.000 0.476 307 K N -0.709 119.703 120.400 0.021 0.000 3.117 307 K HA -0.144 4.176 4.320 -0.000 0.000 0.269 307 K C -0.760 175.857 176.600 0.029 0.000 1.098 307 K CA 0.378 56.674 56.287 0.015 0.000 0.785 307 K CB -1.965 30.547 32.500 0.019 0.000 1.242 307 K HN 0.554 nan 8.250 nan 0.000 0.491 308 L N 1.080 122.333 121.223 0.051 0.000 2.490 308 L HA 0.045 4.385 4.340 -0.000 0.000 0.274 308 L C 1.023 177.912 176.870 0.032 0.000 1.201 308 L CA 0.444 55.316 54.840 0.054 0.000 0.869 308 L CB 0.361 42.476 42.059 0.093 0.000 1.123 308 L HN 0.253 nan 8.230 nan 0.000 0.484 309 Q N 2.864 122.676 119.800 0.021 0.000 2.257 309 Q HA 0.060 4.400 4.340 -0.000 0.000 0.255 309 Q C -0.442 175.556 176.000 -0.002 0.000 0.920 309 Q CA -0.540 55.267 55.803 0.007 0.000 0.927 309 Q CB 1.130 29.869 28.738 0.001 0.000 1.229 309 Q HN 0.590 nan 8.270 nan 0.000 0.433 310 D N 1.991 122.389 120.400 -0.003 0.000 2.737 310 D HA -0.179 4.461 4.640 -0.000 0.000 0.238 310 D C -1.313 174.980 176.300 -0.012 0.000 1.157 310 D CA 0.306 54.300 54.000 -0.011 0.000 0.694 310 D CB -1.206 39.578 40.800 -0.028 0.000 1.021 310 D HN 0.483 nan 8.370 nan 0.000 0.420 311 C N 0.959 120.261 119.300 0.004 0.000 2.637 311 C HA 0.475 4.935 4.460 -0.000 0.000 0.418 311 C C 0.863 175.862 174.990 0.015 0.000 1.319 311 C CA 0.091 59.113 59.018 0.006 0.000 1.949 311 C CB 0.333 28.087 27.740 0.022 0.000 2.639 311 C HN 0.468 nan 8.230 nan 0.000 0.594 312 T N 6.188 120.742 114.554 -0.000 0.000 2.809 312 T HA 0.450 4.800 4.350 -0.000 0.000 0.284 312 T C -0.369 174.358 174.700 0.045 0.000 0.992 312 T CA -0.247 61.879 62.100 0.044 0.000 0.957 312 T CB 0.985 69.846 68.868 -0.011 0.000 0.942 312 T HN 0.545 nan 8.240 nan 0.000 0.439 313 M N 3.155 122.830 119.600 0.126 0.000 2.472 313 M HA 0.604 5.084 4.480 -0.000 0.000 0.331 313 M C -1.170 175.261 176.300 0.218 0.000 1.170 313 M CA -1.060 54.310 55.300 0.116 0.000 1.009 313 M CB 1.813 34.489 32.600 0.128 0.000 1.672 313 M HN 0.346 nan 8.290 nan 0.000 0.453 314 L N 3.453 124.767 121.223 0.151 0.000 2.376 314 L HA 0.666 5.006 4.340 -0.000 0.000 0.275 314 L C -1.523 175.384 176.870 0.061 0.000 0.987 314 L CA -0.479 54.459 54.840 0.164 0.000 0.828 314 L CB 1.793 43.968 42.059 0.193 0.000 1.249 314 L HN 0.458 nan 8.230 nan 0.000 0.409 315 V N 4.395 124.331 119.914 0.035 0.000 2.531 315 V HA 0.560 4.680 4.120 -0.000 0.000 0.301 315 V C -0.782 175.197 176.094 -0.192 0.000 1.034 315 V CA -0.619 61.676 62.300 -0.007 0.000 0.865 315 V CB 1.905 33.803 31.823 0.124 0.000 0.995 315 V HN 0.797 nan 8.190 nan 0.000 0.424 316 N N 3.763 122.300 118.700 -0.272 0.000 2.623 316 N HA 0.620 5.360 4.740 -0.000 0.000 0.256 316 N C 0.627 176.035 175.510 -0.171 0.000 1.045 316 N CA 0.515 53.217 53.050 -0.581 0.000 0.863 316 N CB 1.724 39.769 38.487 -0.738 0.000 1.182 316 N HN 1.042 nan 8.380 nan 0.000 0.523 317 G N 2.499 111.341 108.800 0.070 0.000 2.602 317 G HA2 -0.406 3.554 3.960 -0.000 0.000 0.310 317 G HA3 -0.406 3.554 3.960 -0.000 0.000 0.310 317 G C 0.542 175.315 174.900 -0.211 0.000 1.183 317 G CA 0.781 45.921 45.100 0.068 0.000 0.979 317 G HN 0.624 nan 8.290 nan 0.000 0.545 318 D N 1.263 121.457 120.400 -0.343 0.000 2.340 318 D HA 0.123 4.763 4.640 -0.000 0.000 0.220 318 D C 0.363 176.521 176.300 -0.237 0.000 1.039 318 D CA 0.873 54.463 54.000 -0.684 0.000 0.866 318 D CB -0.036 40.345 40.800 -0.698 0.000 0.913 318 D HN 0.411 nan 8.370 nan 0.000 0.523 319 D N 0.787 121.118 120.400 -0.114 0.000 2.317 319 D HA 0.279 4.919 4.640 -0.000 0.000 0.234 319 D C -1.023 175.271 176.300 -0.010 0.000 1.112 319 D CA -0.616 53.365 54.000 -0.031 0.000 0.840 319 D CB 1.125 41.903 40.800 -0.036 0.000 1.078 319 D HN 0.070 nan 8.370 nan 0.000 0.486 320 L N 5.065 126.323 121.223 0.057 0.000 2.362 320 L HA 0.578 4.918 4.340 -0.000 0.000 0.275 320 L C -1.730 175.142 176.870 0.003 0.000 0.998 320 L CA -0.667 54.213 54.840 0.067 0.000 0.820 320 L CB 1.876 44.042 42.059 0.178 0.000 1.270 320 L HN 0.157 nan 8.230 nan 0.000 0.415 321 V N 5.858 125.728 119.914 -0.074 0.000 2.709 321 V HA 0.765 4.885 4.120 -0.000 0.000 0.308 321 V C -1.383 174.537 176.094 -0.289 0.000 1.062 321 V CA -0.375 61.808 62.300 -0.195 0.000 0.901 321 V CB 2.429 34.175 31.823 -0.128 0.000 1.003 321 V HN 0.609 nan 8.190 nan 0.000 0.425 322 V N 7.570 127.126 119.914 -0.597 0.000 2.540 322 V HA 0.597 4.716 4.120 -0.000 0.000 0.302 322 V C -0.436 175.421 176.094 -0.395 0.000 1.035 322 V CA -0.454 61.500 62.300 -0.577 0.000 0.873 322 V CB 1.821 33.032 31.823 -1.020 0.000 0.992 322 V HN 0.744 nan 8.190 nan 0.000 0.428 323 I N 5.035 125.503 120.570 -0.170 0.000 2.418 323 I HA 0.652 4.822 4.170 -0.000 0.000 0.287 323 I C -0.004 176.075 176.117 -0.063 0.000 1.008 323 I CA -0.294 60.974 61.300 -0.053 0.000 1.104 323 I CB 1.609 39.624 38.000 0.025 0.000 1.264 323 I HN 0.864 nan 8.210 nan 0.000 0.438 324 C N 2.140 121.412 119.300 -0.048 0.000 3.307 324 C HA 0.732 5.192 4.460 -0.000 0.000 0.350 324 C C -0.208 174.731 174.990 -0.085 0.000 1.549 324 C CA -0.885 58.105 59.018 -0.046 0.000 1.396 324 C CB 1.352 29.099 27.740 0.010 0.000 1.970 324 C HN 0.729 nan 8.230 nan 0.000 0.441 325 E N 1.205 121.367 120.200 -0.063 0.000 2.229 325 E HA 0.447 4.797 4.350 -0.000 0.000 0.283 325 E C 0.060 176.643 176.600 -0.028 0.000 1.030 325 E CA 0.379 56.736 56.400 -0.072 0.000 0.836 325 E CB 1.114 30.780 29.700 -0.057 0.000 1.068 325 E HN 0.802 nan 8.360 nan 0.000 0.401 326 S N 3.014 118.704 115.700 -0.016 0.000 2.562 326 S HA 0.345 4.815 4.470 -0.000 0.000 0.281 326 S C 0.504 175.122 174.600 0.030 0.000 1.333 326 S CA 0.209 58.441 58.200 0.053 0.000 1.052 326 S CB 0.701 63.980 63.200 0.131 0.000 0.884 326 S HN 0.611 nan 8.310 nan 0.000 0.506 327 A N 3.512 126.357 122.820 0.042 0.000 2.390 327 A HA 0.645 4.965 4.320 -0.000 0.000 0.232 327 A C 0.970 178.565 177.584 0.018 0.000 1.233 327 A CA 0.357 52.407 52.037 0.021 0.000 0.907 327 A CB -0.771 18.241 19.000 0.020 0.000 0.967 327 A HN 1.829 nan 8.150 nan 0.000 0.512 328 G N -2.166 106.652 108.800 0.029 0.000 2.459 328 G HA2 0.054 4.014 3.960 -0.000 0.000 0.685 328 G HA3 0.054 4.014 3.960 -0.000 0.000 0.685 328 G C 0.329 175.247 174.900 0.031 0.000 1.303 328 G CA -0.139 44.964 45.100 0.004 0.000 0.907 328 G HN 0.248 nan 8.290 nan 0.000 0.632 329 T N 0.517 115.063 114.554 -0.012 0.000 2.652 329 T HA -0.129 4.221 4.350 -0.000 0.000 0.267 329 T C 2.351 177.082 174.700 0.052 0.000 1.039 329 T CA 2.167 64.278 62.100 0.018 0.000 1.153 329 T CB -0.176 68.668 68.868 -0.040 0.000 0.863 329 T HN 0.482 nan 8.240 nan 0.000 0.428 330 Q N 0.550 120.363 119.800 0.022 0.000 2.212 330 Q HA 0.047 4.387 4.340 -0.000 0.000 0.199 330 Q C 2.312 178.324 176.000 0.019 0.000 0.950 330 Q CA 0.917 56.732 55.803 0.019 0.000 0.863 330 Q CB -0.262 28.480 28.738 0.008 0.000 0.944 330 Q HN 0.559 nan 8.270 nan 0.000 0.465 331 E N 1.152 121.364 120.200 0.020 0.000 2.038 331 E HA -0.177 4.172 4.350 -0.000 0.000 0.195 331 E C 1.643 178.255 176.600 0.019 0.000 1.000 331 E CA 1.493 57.904 56.400 0.018 0.000 0.803 331 E CB -0.119 29.592 29.700 0.018 0.000 0.750 331 E HN 0.283 nan 8.360 nan 0.000 0.448 332 D N 0.087 120.511 120.400 0.040 0.000 2.104 332 D HA -0.159 4.481 4.640 -0.000 0.000 0.194 332 D C 1.866 178.155 176.300 -0.019 0.000 0.994 332 D CA 1.518 55.534 54.000 0.027 0.000 0.830 332 D CB -0.529 40.334 40.800 0.104 0.000 0.959 332 D HN 0.213 nan 8.370 nan 0.000 0.452 333 A N 1.233 124.059 122.820 0.009 0.000 1.873 333 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 333 A C 2.352 179.920 177.584 -0.026 0.000 1.193 333 A CA 2.863 54.893 52.037 -0.012 0.000 0.629 333 A CB -0.990 18.018 19.000 0.012 0.000 0.826 333 A HN 0.261 nan 8.150 nan 0.000 0.447 334 A N -1.085 121.729 122.820 -0.009 0.000 1.933 334 A HA -0.038 4.282 4.320 -0.000 0.000 0.218 334 A C 2.431 180.009 177.584 -0.010 0.000 1.175 334 A CA 2.002 54.035 52.037 -0.006 0.000 0.628 334 A CB -0.838 18.163 19.000 0.002 0.000 0.814 334 A HN 0.456 nan 8.150 nan 0.000 0.444 335 S N -0.474 115.215 115.700 -0.017 0.000 2.359 335 S HA -0.137 4.333 4.470 -0.000 0.000 0.224 335 S C 1.774 176.355 174.600 -0.031 0.000 1.035 335 S CA 1.598 59.790 58.200 -0.014 0.000 1.018 335 S CB -0.342 62.845 63.200 -0.022 0.000 0.876 335 S HN 0.399 nan 8.310 nan 0.000 0.448 336 L N 1.363 122.511 121.223 -0.125 0.000 2.093 336 L HA 0.054 4.394 4.340 -0.000 0.000 0.208 336 L C 2.381 179.241 176.870 -0.017 0.000 1.085 336 L CA 1.485 56.197 54.840 -0.214 0.000 0.755 336 L CB -0.505 41.318 42.059 -0.393 0.000 0.904 336 L HN 0.166 nan 8.230 nan 0.000 0.435 337 R N -1.421 119.074 120.500 -0.009 0.000 2.092 337 R HA -0.087 4.253 4.340 -0.000 0.000 0.231 337 R C 2.127 178.447 176.300 0.034 0.000 1.119 337 R CA 1.203 57.317 56.100 0.023 0.000 0.970 337 R CB -0.431 29.873 30.300 0.006 0.000 0.864 337 R HN 0.212 nan 8.270 nan 0.000 0.440 338 V N 0.573 120.505 119.914 0.031 0.000 2.453 338 V HA -0.206 3.914 4.120 -0.000 0.000 0.247 338 V C 1.876 177.985 176.094 0.026 0.000 1.048 338 V CA 1.425 63.737 62.300 0.019 0.000 1.049 338 V CB -0.545 31.291 31.823 0.021 0.000 0.672 338 V HN 0.195 nan 8.190 nan 0.000 0.457 339 F N 1.690 121.596 119.950 -0.073 0.000 2.091 339 F HA -0.270 4.257 4.527 -0.000 0.000 0.299 339 F C 2.395 178.145 175.800 -0.082 0.000 1.103 339 F CA 2.424 60.380 58.000 -0.074 0.000 1.228 339 F CB -0.475 38.473 39.000 -0.086 0.000 0.984 339 F HN 0.119 nan 8.300 nan 0.000 0.477 340 T N -0.089 114.552 114.554 0.146 0.000 2.867 340 T HA -0.147 4.203 4.350 -0.000 0.000 0.268 340 T C 1.667 176.352 174.700 -0.026 0.000 1.057 340 T CA 1.546 63.728 62.100 0.137 0.000 1.136 340 T CB -0.282 68.740 68.868 0.257 0.000 0.874 340 T HN 0.415 nan 8.240 nan 0.000 0.466 341 E N 1.150 121.312 120.200 -0.063 0.000 2.106 341 E HA -0.011 4.339 4.350 -0.000 0.000 0.192 341 E C 2.557 179.022 176.600 -0.225 0.000 0.984 341 E CA 0.892 57.231 56.400 -0.102 0.000 0.806 341 E CB -0.171 29.485 29.700 -0.074 0.000 0.750 341 E HN 0.473 nan 8.360 nan 0.000 0.458 342 A N 1.414 124.036 122.820 -0.329 0.000 1.873 342 A HA -0.168 4.152 4.320 -0.000 0.000 0.215 342 A C 2.177 179.275 177.584 -0.809 0.000 1.186 342 A CA 1.151 52.826 52.037 -0.603 0.000 0.616 342 A CB -0.300 18.389 19.000 -0.519 0.000 0.823 342 A HN 0.100 nan 8.150 nan 0.000 0.442 343 M N -0.209 119.060 119.600 -0.552 0.000 2.108 343 M HA -0.126 4.354 4.480 -0.000 0.000 0.261 343 M C 2.184 178.399 176.300 -0.142 0.000 1.066 343 M CA 2.054 57.166 55.300 -0.313 0.000 1.107 343 M CB -1.940 30.450 32.600 -0.351 0.000 1.356 343 M HN 0.447 nan 8.290 nan 0.000 0.406 344 T N 0.110 114.585 114.554 -0.131 0.000 2.746 344 T HA -0.107 4.243 4.350 -0.000 0.000 0.267 344 T C 1.990 176.638 174.700 -0.085 0.000 1.039 344 T CA 1.080 63.149 62.100 -0.051 0.000 1.142 344 T CB -0.149 68.698 68.868 -0.035 0.000 0.866 344 T HN 0.369 nan 8.240 nan 0.000 0.444 345 R N 0.149 120.527 120.500 -0.203 0.000 2.091 345 R HA -0.084 4.256 4.340 -0.000 0.000 0.238 345 R C 1.888 178.149 176.300 -0.065 0.000 1.136 345 R CA 1.295 57.286 56.100 -0.182 0.000 0.959 345 R CB -0.405 29.713 30.300 -0.303 0.000 0.856 345 R HN 0.435 nan 8.270 nan 0.000 0.437 346 Y N 0.042 120.300 120.300 -0.069 0.000 2.619 346 Y HA 0.007 4.557 4.550 -0.000 0.000 0.308 346 Y C 1.336 177.204 175.900 -0.054 0.000 1.192 346 Y CA 0.141 58.191 58.100 -0.084 0.000 1.319 346 Y CB -0.282 38.156 38.460 -0.036 0.000 1.030 346 Y HN 0.089 nan 8.280 nan 0.000 0.517 347 S N -1.656 114.099 115.700 0.092 0.000 2.541 347 S HA -0.170 4.300 4.470 -0.000 0.000 0.262 347 S C 0.297 174.947 174.600 0.082 0.000 1.321 347 S CA 0.490 58.734 58.200 0.075 0.000 1.243 347 S CB -1.592 61.634 63.200 0.044 0.000 1.531 347 S HN 0.622 nan 8.310 nan 0.000 0.656 348 A N 1.645 124.525 122.820 0.099 0.000 3.047 348 A HA 0.672 4.992 4.320 -0.000 0.000 0.337 348 A C -2.542 175.178 177.584 0.227 0.000 1.143 348 A CA -1.345 50.779 52.037 0.144 0.000 0.905 348 A CB 0.353 19.470 19.000 0.195 0.000 1.088 348 A HN 0.385 nan 8.150 nan 0.000 0.488 349 P HA 0.269 nan 4.420 nan 0.000 0.274 349 P C -2.747 174.635 177.300 0.136 0.000 1.237 349 P CA -1.296 61.883 63.100 0.131 0.000 0.793 349 P CB 0.255 31.964 31.700 0.014 0.000 0.977 350 P HA 0.079 nan 4.420 nan 0.000 0.279 350 P C 0.554 177.793 177.300 -0.101 0.000 1.239 350 P CA 0.163 63.183 63.100 -0.133 0.000 0.789 350 P CB 1.024 32.655 31.700 -0.115 0.000 0.933 351 G N 3.126 111.851 108.800 -0.125 0.000 2.607 351 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.215 351 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.215 351 G C -0.088 174.762 174.900 -0.083 0.000 1.275 351 G CA 0.147 45.200 45.100 -0.079 0.000 0.842 351 G HN 0.469 nan 8.290 nan 0.000 0.555 352 D N 2.173 122.515 120.400 -0.096 0.000 2.351 352 D HA 0.343 4.983 4.640 -0.000 0.000 0.251 352 D C -2.366 173.874 176.300 -0.100 0.000 1.137 352 D CA -1.118 52.834 54.000 -0.079 0.000 0.879 352 D CB 1.228 41.990 40.800 -0.063 0.000 1.181 352 D HN 0.026 nan 8.370 nan 0.000 0.448 353 P HA 0.124 nan 4.420 nan 0.000 0.268 353 P C -2.258 175.028 177.300 -0.024 0.000 1.204 353 P CA -0.874 62.204 63.100 -0.036 0.000 0.768 353 P CB -0.160 31.532 31.700 -0.014 0.000 0.842 354 P HA 0.113 nan 4.420 nan 0.000 0.272 354 P C -0.960 176.336 177.300 -0.006 0.000 1.223 354 P CA -0.032 63.100 63.100 0.053 0.000 0.784 354 P CB 0.828 32.641 31.700 0.188 0.000 0.923 355 Q N 1.894 121.704 119.800 0.016 0.000 2.274 355 Q HA 0.399 4.739 4.340 -0.000 0.000 0.268 355 Q C -2.728 173.267 176.000 -0.007 0.000 1.015 355 Q CA -2.254 53.544 55.803 -0.008 0.000 0.775 355 Q CB 2.069 30.811 28.738 0.008 0.000 1.256 355 Q HN 0.235 nan 8.270 nan 0.000 0.442 356 P HA 0.071 nan 4.420 nan 0.000 0.267 356 P C -1.090 176.092 177.300 -0.197 0.000 1.205 356 P CA 0.200 63.219 63.100 -0.135 0.000 0.765 356 P CB 0.695 32.316 31.700 -0.130 0.000 0.828 357 E N 2.092 122.131 120.200 -0.267 0.000 2.256 357 E HA 0.243 4.593 4.350 -0.000 0.000 0.267 357 E C -0.533 175.843 176.600 -0.374 0.000 0.892 357 E CA -0.426 55.842 56.400 -0.219 0.000 0.775 357 E CB 1.490 31.146 29.700 -0.073 0.000 1.207 357 E HN 0.434 nan 8.360 nan 0.000 0.420 358 Y N -0.287 120.145 120.300 0.220 0.000 2.612 358 Y HA 0.185 4.735 4.550 0.000 0.000 0.250 358 Y C 0.093 176.231 175.900 0.396 0.000 1.175 358 Y CA -0.432 57.863 58.100 0.325 0.000 1.205 358 Y CB 1.013 39.573 38.460 0.168 0.000 1.201 358 Y HN 0.271 nan 8.280 nan 0.000 0.532 359 D N 0.217 120.763 120.400 0.243 0.000 2.593 359 D HA 0.142 4.782 4.640 -0.000 0.000 0.251 359 D C 0.544 176.615 176.300 -0.381 0.000 1.140 359 D CA -0.382 53.640 54.000 0.037 0.000 0.855 359 D CB 1.858 42.679 40.800 0.036 0.000 1.267 359 D HN 0.082 nan 8.370 nan 0.000 0.532 360 L N 4.165 124.868 121.223 -0.866 0.000 2.131 360 L HA -0.011 4.329 4.340 -0.000 0.000 0.210 360 L C 1.800 178.345 176.870 -0.542 0.000 1.092 360 L CA 1.935 56.082 54.840 -1.155 0.000 0.759 360 L CB -0.443 40.731 42.059 -1.475 0.000 0.903 360 L HN 0.669 nan 8.230 nan 0.000 0.435 361 E N -0.827 119.168 120.200 -0.342 0.000 2.265 361 E HA -0.196 4.154 4.350 -0.000 0.000 0.196 361 E C 1.951 178.449 176.600 -0.170 0.000 0.996 361 E CA 0.873 57.147 56.400 -0.209 0.000 0.832 361 E CB -0.109 29.516 29.700 -0.125 0.000 0.756 361 E HN 0.614 nan 8.360 nan 0.000 0.491 362 L N 0.776 121.894 121.223 -0.176 0.000 2.558 362 L HA 0.185 4.525 4.340 -0.000 0.000 0.225 362 L C 0.516 177.314 176.870 -0.120 0.000 1.128 362 L CA -0.120 54.651 54.840 -0.114 0.000 0.868 362 L CB 0.270 42.286 42.059 -0.071 0.000 1.006 362 L HN 0.112 nan 8.230 nan 0.000 0.454 363 I N 0.369 120.830 120.570 -0.181 0.000 2.301 363 I HA 0.092 4.262 4.170 -0.000 0.000 0.292 363 I C -0.081 175.963 176.117 -0.122 0.000 1.046 363 I CA 0.070 61.278 61.300 -0.154 0.000 1.282 363 I CB 1.109 38.978 38.000 -0.217 0.000 1.409 363 I HN -0.081 nan 8.210 nan 0.000 0.484 364 T N 5.098 119.607 114.554 -0.076 0.000 2.749 364 T HA 0.372 4.722 4.350 -0.000 0.000 0.287 364 T C 0.019 174.696 174.700 -0.039 0.000 0.970 364 T CA -0.558 61.510 62.100 -0.052 0.000 0.980 364 T CB 0.886 69.733 68.868 -0.036 0.000 0.924 364 T HN 0.727 nan 8.240 nan 0.000 0.456 365 S N 0.979 116.659 115.700 -0.033 0.000 2.538 365 S HA 0.423 4.893 4.470 -0.000 0.000 0.288 365 S C 0.162 174.761 174.600 -0.002 0.000 1.108 365 S CA -0.809 57.376 58.200 -0.025 0.000 0.971 365 S CB 0.597 63.770 63.200 -0.046 0.000 1.041 365 S HN 0.899 nan 8.310 nan 0.000 0.483 366 C N 2.322 121.624 119.300 0.003 0.000 4.167 366 C HA -0.160 4.300 4.460 -0.000 0.000 0.302 366 C C 1.396 176.426 174.990 0.067 0.000 1.384 366 C CA 0.663 59.698 59.018 0.028 0.000 2.041 366 C CB -3.311 24.436 27.740 0.013 0.000 1.303 366 C HN 1.583 nan 8.230 nan 0.000 0.718 367 S N -1.777 113.954 115.700 0.052 0.000 3.270 367 S HA -0.204 4.266 4.470 -0.000 0.000 0.293 367 S C 0.343 174.990 174.600 0.078 0.000 1.278 367 S CA 1.379 59.614 58.200 0.058 0.000 1.038 367 S CB -0.736 62.512 63.200 0.080 0.000 1.218 367 S HN 1.021 nan 8.310 nan 0.000 0.659 368 S N 1.714 117.466 115.700 0.086 0.000 2.634 368 S HA 0.756 5.226 4.470 -0.000 0.000 0.296 368 S C -0.378 174.242 174.600 0.033 0.000 1.104 368 S CA -0.913 57.357 58.200 0.117 0.000 0.920 368 S CB 1.689 65.023 63.200 0.223 0.000 1.111 368 S HN 0.583 nan 8.310 nan 0.000 0.493 369 N N -0.583 118.127 118.700 0.016 0.000 2.357 369 N HA 0.458 5.198 4.740 -0.000 0.000 0.284 369 N C -1.479 173.976 175.510 -0.093 0.000 1.236 369 N CA -0.596 52.418 53.050 -0.060 0.000 0.774 369 N CB 1.053 39.488 38.487 -0.087 0.000 1.534 369 N HN 0.313 nan 8.380 nan 0.000 0.478 370 V N 0.485 120.306 119.914 -0.156 0.000 2.583 370 V HA 0.386 4.506 4.120 -0.000 0.000 0.287 370 V C 0.532 176.479 176.094 -0.245 0.000 1.051 370 V CA -0.076 62.105 62.300 -0.199 0.000 1.010 370 V CB 0.831 32.536 31.823 -0.195 0.000 0.988 370 V HN 0.840 nan 8.190 nan 0.000 0.478 371 S N 3.165 118.614 115.700 -0.418 0.000 2.704 371 S HA 0.840 5.310 4.470 -0.000 0.000 0.296 371 S C -0.943 173.432 174.600 -0.375 0.000 1.138 371 S CA -0.526 57.447 58.200 -0.378 0.000 0.875 371 S CB 2.059 65.029 63.200 -0.383 0.000 1.151 371 S HN 0.432 nan 8.310 nan 0.000 0.500 372 V N 1.296 121.108 119.914 -0.170 0.000 2.815 372 V HA 1.000 5.120 4.120 -0.000 0.000 0.314 372 V C 0.369 176.425 176.094 -0.065 0.000 1.064 372 V CA -0.199 61.972 62.300 -0.214 0.000 0.952 372 V CB 1.103 32.717 31.823 -0.350 0.000 1.020 372 V HN 1.153 nan 8.190 nan 0.000 0.439 373 A N 1.750 124.428 122.820 -0.238 0.000 2.593 373 A HA 0.841 5.161 4.320 -0.000 0.000 0.304 373 A C -1.299 175.856 177.584 -0.714 0.000 1.233 373 A CA -0.595 51.194 52.037 -0.413 0.000 0.661 373 A CB 1.632 20.282 19.000 -0.583 0.000 1.338 373 A HN 0.851 nan 8.150 nan 0.000 0.495 374 H N 0.161 118.938 119.070 -0.489 0.000 2.747 374 H HA 0.441 4.997 4.556 -0.000 0.000 0.371 374 H C -1.129 173.996 175.328 -0.339 0.000 1.161 374 H CA -0.286 55.500 56.048 -0.438 0.000 1.167 374 H CB 1.919 31.358 29.762 -0.539 0.000 1.732 374 H HN 0.901 nan 8.280 nan 0.000 0.544 375 D N 0.299 120.699 120.400 0.001 0.000 2.511 375 D HA 0.241 4.881 4.640 -0.000 0.000 0.276 375 D C 1.334 177.796 176.300 0.270 0.000 1.220 375 D CA -0.374 53.692 54.000 0.110 0.000 1.077 375 D CB 0.262 41.091 40.800 0.048 0.000 1.126 375 D HN 0.459 nan 8.370 nan 0.000 0.583 376 A N 0.006 122.925 122.820 0.165 0.000 1.903 376 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 376 A C 2.024 179.670 177.584 0.104 0.000 1.191 376 A CA 3.109 55.202 52.037 0.094 0.000 0.638 376 A CB -1.350 17.680 19.000 0.050 0.000 0.823 376 A HN 0.695 nan 8.150 nan 0.000 0.451 377 S N -2.064 113.697 115.700 0.101 0.000 2.603 377 S HA 0.382 4.852 4.470 -0.000 0.000 0.220 377 S C 1.351 176.012 174.600 0.101 0.000 0.967 377 S CA 1.056 59.303 58.200 0.079 0.000 0.920 377 S CB -0.269 62.965 63.200 0.057 0.000 0.773 377 S HN 2.060 nan 8.310 nan 0.000 0.529 378 G N 1.104 110.007 108.800 0.172 0.000 2.157 378 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.248 378 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.248 378 G C -0.037 174.967 174.900 0.174 0.000 0.979 378 G CA 0.208 45.394 45.100 0.144 0.000 0.650 378 G HN 0.762 nan 8.290 nan 0.000 0.529 379 K N 0.590 121.063 120.400 0.121 0.000 2.355 379 K HA 0.407 4.727 4.320 -0.000 0.000 0.270 379 K C 0.761 177.357 176.600 -0.007 0.000 1.003 379 K CA -0.501 55.829 56.287 0.072 0.000 0.957 379 K CB 0.271 32.791 32.500 0.032 0.000 0.939 379 K HN 0.281 nan 8.250 nan 0.000 0.482 380 R N 2.074 122.507 120.500 -0.111 0.000 2.347 380 R HA 0.183 4.523 4.340 -0.000 0.000 0.304 380 R C -0.968 175.097 176.300 -0.392 0.000 1.072 380 R CA -0.382 55.461 56.100 -0.429 0.000 0.980 380 R CB 0.939 31.002 30.300 -0.395 0.000 0.986 380 R HN 0.269 nan 8.270 nan 0.000 0.448 381 V N 5.301 124.935 119.914 -0.466 0.000 2.483 381 V HA 0.260 4.379 4.120 -0.000 0.000 0.297 381 V C -0.926 175.010 176.094 -0.264 0.000 1.027 381 V CA -0.891 61.251 62.300 -0.262 0.000 0.855 381 V CB 1.242 32.987 31.823 -0.130 0.000 0.995 381 V HN 0.597 nan 8.190 nan 0.000 0.424 382 Y N 5.424 125.722 120.300 -0.003 0.000 2.299 382 Y HA 0.653 5.203 4.550 -0.000 0.000 0.326 382 Y C 0.057 176.004 175.900 0.079 0.000 1.164 382 Y CA -0.309 57.776 58.100 -0.024 0.000 1.234 382 Y CB 1.042 39.454 38.460 -0.080 0.000 1.219 382 Y HN 0.731 nan 8.280 nan 0.000 0.497 383 Y N -0.799 119.567 120.300 0.110 0.000 2.655 383 Y HA 0.686 5.236 4.550 -0.000 0.000 0.336 383 Y C -1.929 174.033 175.900 0.102 0.000 1.154 383 Y CA -2.027 56.122 58.100 0.082 0.000 1.055 383 Y CB 0.807 39.286 38.460 0.032 0.000 1.295 383 Y HN 0.414 nan 8.280 nan 0.000 0.465 384 L N 2.508 123.846 121.223 0.192 0.000 2.290 384 L HA 0.537 4.877 4.340 -0.000 0.000 0.284 384 L C 0.326 177.449 176.870 0.423 0.000 1.078 384 L CA -0.102 54.849 54.840 0.185 0.000 0.815 384 L CB 1.529 43.721 42.059 0.221 0.000 1.162 384 L HN 0.998 nan 8.230 nan 0.000 0.435 385 T N 3.403 118.125 114.554 0.280 0.000 2.676 385 T HA 0.836 5.186 4.350 -0.000 0.000 0.269 385 T C -0.913 173.905 174.700 0.196 0.000 0.952 385 T CA -0.598 61.735 62.100 0.389 0.000 1.040 385 T CB 1.612 70.718 68.868 0.396 0.000 1.352 385 T HN 0.805 nan 8.240 nan 0.000 0.554 386 R N 0.151 120.695 120.500 0.074 0.000 2.752 386 R HA 0.394 4.734 4.340 -0.000 0.000 0.277 386 R C -1.627 174.495 176.300 -0.297 0.000 1.024 386 R CA -0.987 55.043 56.100 -0.118 0.000 0.866 386 R CB 0.100 30.278 30.300 -0.203 0.000 1.278 386 R HN 0.526 nan 8.270 nan 0.000 0.473 387 D N 1.613 121.833 120.400 -0.301 0.000 2.450 387 D HA 0.059 4.699 4.640 -0.000 0.000 0.247 387 D C -1.318 174.587 176.300 -0.659 0.000 1.162 387 D CA -1.334 52.430 54.000 -0.393 0.000 0.879 387 D CB 1.267 41.924 40.800 -0.238 0.000 1.163 387 D HN 0.332 nan 8.370 nan 0.000 0.472 388 P HA -0.034 nan 4.420 nan 0.000 0.241 388 P C 1.234 178.195 177.300 -0.565 0.000 1.191 388 P CA 0.270 62.657 63.100 -1.190 0.000 0.771 388 P CB 0.297 31.217 31.700 -1.299 0.000 0.929 389 T N 0.288 114.626 114.554 -0.360 0.000 2.570 389 T HA -0.155 4.195 4.350 -0.000 0.000 0.266 389 T C 1.794 176.418 174.700 -0.126 0.000 1.071 389 T CA 2.621 64.610 62.100 -0.186 0.000 1.172 389 T CB -1.225 67.573 68.868 -0.117 0.000 0.864 389 T HN 0.204 nan 8.240 nan 0.000 0.421 390 T N 2.168 116.654 114.554 -0.114 0.000 2.746 390 T HA -0.046 4.304 4.350 -0.000 0.000 0.267 390 T C -0.604 174.059 174.700 -0.061 0.000 1.039 390 T CA 1.162 63.229 62.100 -0.055 0.000 1.142 390 T CB -1.204 67.660 68.868 -0.006 0.000 0.866 390 T HN 0.363 nan 8.240 nan 0.000 0.444 391 P HA 0.018 nan 4.420 nan 0.000 0.216 391 P C 1.489 178.830 177.300 0.067 0.000 1.150 391 P CA 0.856 63.962 63.100 0.010 0.000 0.837 391 P CB -0.188 31.510 31.700 -0.003 0.000 0.786 392 L N -1.200 120.015 121.223 -0.012 0.000 2.072 392 L HA -0.097 4.243 4.340 -0.000 0.000 0.205 392 L C 2.507 179.421 176.870 0.074 0.000 1.079 392 L CA 1.487 56.349 54.840 0.036 0.000 0.752 392 L CB -1.277 40.759 42.059 -0.038 0.000 0.906 392 L HN -0.057 nan 8.230 nan 0.000 0.436 393 A N 0.349 123.195 122.820 0.044 0.000 1.902 393 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 393 A C 2.393 180.051 177.584 0.124 0.000 1.181 393 A CA 1.531 53.615 52.037 0.078 0.000 0.623 393 A CB -0.451 18.573 19.000 0.040 0.000 0.818 393 A HN 0.331 nan 8.150 nan 0.000 0.443 394 R N -0.710 119.833 120.500 0.071 0.000 2.090 394 R HA 0.043 4.383 4.340 -0.000 0.000 0.228 394 R C 2.505 178.947 176.300 0.237 0.000 1.110 394 R CA 0.945 57.091 56.100 0.077 0.000 0.973 394 R CB -0.422 29.857 30.300 -0.035 0.000 0.869 394 R HN 0.509 nan 8.270 nan 0.000 0.440 395 A N 1.724 124.711 122.820 0.278 0.000 1.858 395 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 395 A C 2.437 180.251 177.584 0.384 0.000 1.190 395 A CA 1.805 54.107 52.037 0.442 0.000 0.617 395 A CB -0.835 18.484 19.000 0.532 0.000 0.827 395 A HN 0.369 nan 8.150 nan 0.000 0.443 396 A N -1.324 121.649 122.820 0.254 0.000 1.917 396 A HA -0.252 4.068 4.320 -0.000 0.000 0.219 396 A C 2.119 179.819 177.584 0.193 0.000 1.182 396 A CA 1.699 53.839 52.037 0.171 0.000 0.633 396 A CB -1.006 18.068 19.000 0.123 0.000 0.819 396 A HN 0.875 nan 8.150 nan 0.000 0.448 397 W N 0.750 122.082 121.300 0.054 0.000 2.355 397 W HA -0.165 4.495 4.660 -0.000 0.000 0.309 397 W C 1.801 178.339 176.519 0.031 0.000 1.206 397 W CA 2.018 59.379 57.345 0.026 0.000 1.284 397 W CB -0.442 29.020 29.460 0.002 0.000 1.145 397 W HN 0.551 nan 8.180 nan 0.000 0.502 398 E N -0.550 119.894 120.200 0.406 0.000 2.153 398 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 398 E C 2.139 178.826 176.600 0.146 0.000 0.988 398 E CA 2.263 58.856 56.400 0.322 0.000 0.811 398 E CB -0.256 29.694 29.700 0.418 0.000 0.746 398 E HN 0.073 nan 8.360 nan 0.000 0.466 399 T N 0.321 114.958 114.554 0.137 0.000 2.708 399 T HA -0.173 4.177 4.350 -0.000 0.000 0.266 399 T C 1.906 176.447 174.700 -0.265 0.000 1.037 399 T CA 1.316 63.414 62.100 -0.003 0.000 1.146 399 T CB -0.190 68.710 68.868 0.053 0.000 0.865 399 T HN 0.254 nan 8.240 nan 0.000 0.435 400 A N 1.161 123.836 122.820 -0.243 0.000 1.930 400 A HA 0.068 4.388 4.320 -0.000 0.000 0.215 400 A C 2.211 179.522 177.584 -0.456 0.000 1.176 400 A CA 0.817 52.661 52.037 -0.322 0.000 0.632 400 A CB -0.112 18.726 19.000 -0.271 0.000 0.819 400 A HN 0.351 nan 8.150 nan 0.000 0.445 401 R N -1.690 118.546 120.500 -0.440 0.000 2.437 401 R HA 0.159 4.499 4.340 -0.000 0.000 0.257 401 R C -0.759 175.535 176.300 -0.011 0.000 0.927 401 R CA 0.081 56.038 56.100 -0.238 0.000 1.078 401 R CB 0.091 30.195 30.300 -0.326 0.000 1.161 401 R HN 0.705 nan 8.270 nan 0.000 0.529 402 H N 0.627 119.721 119.070 0.040 0.000 2.591 402 H HA -0.163 4.393 4.556 0.000 0.000 0.325 402 H C 0.071 175.453 175.328 0.090 0.000 1.096 402 H CA 0.869 56.964 56.048 0.078 0.000 1.108 402 H CB -1.862 27.929 29.762 0.048 0.000 1.590 402 H HN 0.281 nan 8.280 nan 0.000 0.399 403 T N -1.723 112.945 114.554 0.191 0.000 2.874 403 T HA 0.307 4.657 4.350 -0.000 0.000 0.281 403 T C -0.546 174.230 174.700 0.127 0.000 0.994 403 T CA -1.178 61.022 62.100 0.166 0.000 1.015 403 T CB 1.798 70.788 68.868 0.204 0.000 1.028 403 T HN 0.132 nan 8.240 nan 0.000 0.523 404 P HA 0.054 nan 4.420 nan 0.000 0.221 404 P C 0.341 177.640 177.300 -0.002 0.000 1.150 404 P CA 0.231 63.344 63.100 0.023 0.000 0.800 404 P CB -0.179 31.503 31.700 -0.030 0.000 0.787 405 V N 2.487 122.404 119.914 0.004 0.000 2.614 405 V HA 0.104 4.224 4.120 -0.000 0.000 0.291 405 V C 0.606 176.695 176.094 -0.009 0.000 1.049 405 V CA 0.115 62.398 62.300 -0.029 0.000 1.038 405 V CB 0.234 32.036 31.823 -0.035 0.000 0.980 405 V HN 0.130 nan 8.190 nan 0.000 0.481 406 N N 2.599 121.233 118.700 -0.109 0.000 2.804 406 N HA 0.121 4.861 4.740 -0.000 0.000 0.251 406 N C 0.965 176.266 175.510 -0.348 0.000 1.250 406 N CA 0.031 52.926 53.050 -0.259 0.000 0.820 406 N CB 1.713 39.913 38.487 -0.478 0.000 1.156 406 N HN 0.788 nan 8.380 nan 0.000 0.512 407 S N 0.171 115.780 115.700 -0.150 0.000 2.461 407 S HA -0.056 4.414 4.470 -0.000 0.000 0.228 407 S C 1.793 176.345 174.600 -0.080 0.000 1.005 407 S CA -0.184 57.953 58.200 -0.105 0.000 0.942 407 S CB -0.352 62.834 63.200 -0.023 0.000 0.776 407 S HN 0.721 nan 8.310 nan 0.000 0.514 408 W N 1.117 122.330 121.300 -0.144 0.000 2.363 408 W HA 0.022 4.682 4.660 -0.000 0.000 0.296 408 W C 1.534 177.915 176.519 -0.230 0.000 1.212 408 W CA 0.235 57.438 57.345 -0.236 0.000 1.260 408 W CB -0.897 28.108 29.460 -0.758 0.000 1.131 408 W HN 0.346 nan 8.180 nan 0.000 0.530 409 L N 2.684 123.304 121.223 -1.005 0.000 2.131 409 L HA 0.207 4.547 4.340 -0.000 0.000 0.206 409 L C 2.664 179.316 176.870 -0.364 0.000 1.087 409 L CA 2.581 56.887 54.840 -0.890 0.000 0.767 409 L CB -1.303 39.976 42.059 -1.300 0.000 0.917 409 L HN 0.038 nan 8.230 nan 0.000 0.441 410 G N -0.652 107.960 108.800 -0.315 0.000 2.418 410 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.217 410 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.217 410 G C 1.473 176.318 174.900 -0.093 0.000 1.158 410 G CA 0.702 45.684 45.100 -0.197 0.000 0.771 410 G HN 0.419 nan 8.290 nan 0.000 0.545 411 N N 0.612 119.329 118.700 0.028 0.000 2.188 411 N HA -0.024 4.716 4.740 -0.000 0.000 0.184 411 N C 2.268 177.865 175.510 0.144 0.000 1.018 411 N CA 0.619 53.799 53.050 0.217 0.000 0.858 411 N CB -0.143 38.558 38.487 0.357 0.000 0.989 411 N HN 0.329 nan 8.380 nan 0.000 0.426 412 I N 1.034 121.659 120.570 0.091 0.000 2.208 412 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 412 I C 2.052 178.168 176.117 -0.002 0.000 1.097 412 I CA 1.120 62.460 61.300 0.067 0.000 1.363 412 I CB -0.200 37.898 38.000 0.162 0.000 1.051 412 I HN 0.064 nan 8.210 nan 0.000 0.413 413 I N -0.057 120.503 120.570 -0.017 0.000 2.233 413 I HA -0.283 3.887 4.170 -0.000 0.000 0.243 413 I C 2.617 178.770 176.117 0.060 0.000 1.093 413 I CA 1.388 62.692 61.300 0.006 0.000 1.380 413 I CB -0.201 37.769 38.000 -0.050 0.000 1.067 413 I HN 0.164 nan 8.210 nan 0.000 0.413 414 M N -0.657 118.898 119.600 -0.076 0.000 2.159 414 M HA -0.191 4.289 4.480 -0.000 0.000 0.263 414 M C 0.812 176.892 176.300 -0.367 0.000 1.063 414 M CA 1.955 57.136 55.300 -0.199 0.000 1.110 414 M CB -0.113 32.194 32.600 -0.490 0.000 1.374 414 M HN 0.160 nan 8.290 nan 0.000 0.411 415 Y N -1.029 119.217 120.300 -0.090 0.000 2.751 415 Y HA 0.434 4.984 4.550 0.000 0.000 0.289 415 Y C 1.567 177.163 175.900 -0.508 0.000 1.110 415 Y CA -0.424 57.508 58.100 -0.280 0.000 1.251 415 Y CB -0.806 37.437 38.460 -0.362 0.000 1.178 415 Y HN 0.102 nan 8.280 nan 0.000 0.540 416 A N 0.778 123.331 122.820 -0.445 0.000 1.986 416 A HA -0.142 4.178 4.320 -0.000 0.000 0.220 416 A C -0.476 176.789 177.584 -0.532 0.000 1.171 416 A CA 1.517 53.278 52.037 -0.459 0.000 0.640 416 A CB -1.228 17.526 19.000 -0.411 0.000 0.811 416 A HN 0.282 nan 8.150 nan 0.000 0.451 417 P HA 0.030 nan 4.420 nan 0.000 0.241 417 P C 0.639 177.581 177.300 -0.597 0.000 1.191 417 P CA 1.160 63.922 63.100 -0.563 0.000 0.771 417 P CB -0.261 31.128 31.700 -0.518 0.000 0.929 418 T N -2.964 111.243 114.554 -0.577 0.000 2.882 418 T HA 0.181 4.531 4.350 -0.000 0.000 0.287 418 T C 1.099 175.350 174.700 -0.747 0.000 1.014 418 T CA -0.690 61.032 62.100 -0.631 0.000 1.049 418 T CB 0.710 69.074 68.868 -0.840 0.000 1.001 418 T HN -0.183 nan 8.240 nan 0.000 0.525 419 L N 1.596 122.281 121.223 -0.897 0.000 2.012 419 L HA 0.015 4.355 4.340 -0.000 0.000 0.210 419 L C 2.429 178.973 176.870 -0.544 0.000 1.073 419 L CA 1.776 56.075 54.840 -0.902 0.000 0.748 419 L CB -0.783 40.683 42.059 -0.988 0.000 0.891 419 L HN 0.918 nan 8.230 nan 0.000 0.431 420 W N -1.032 120.043 121.300 -0.374 0.000 2.467 420 W HA 0.133 4.793 4.660 -0.000 0.000 0.275 420 W C 1.942 178.314 176.519 -0.246 0.000 1.239 420 W CA 0.669 57.835 57.345 -0.298 0.000 1.266 420 W CB -1.254 28.064 29.460 -0.238 0.000 1.112 420 W HN 0.315 nan 8.180 nan 0.000 0.576 421 A N 2.007 124.349 122.820 -0.796 0.000 1.872 421 A HA -0.100 4.219 4.320 -0.000 0.000 0.214 421 A C 2.262 179.664 177.584 -0.303 0.000 1.187 421 A CA 1.560 53.261 52.037 -0.559 0.000 0.614 421 A CB -0.764 17.755 19.000 -0.801 0.000 0.826 421 A HN 0.250 nan 8.150 nan 0.000 0.442 422 R N -1.000 119.243 120.500 -0.428 0.000 2.066 422 R HA 0.007 4.347 4.340 -0.000 0.000 0.232 422 R C 2.174 178.293 176.300 -0.301 0.000 1.131 422 R CA 1.821 57.685 56.100 -0.393 0.000 0.955 422 R CB -0.325 29.587 30.300 -0.648 0.000 0.851 422 R HN 0.515 nan 8.270 nan 0.000 0.432 423 M N -0.565 118.756 119.600 -0.466 0.000 2.435 423 M HA 0.048 4.528 4.480 -0.000 0.000 0.265 423 M C 1.782 178.079 176.300 -0.004 0.000 1.104 423 M CA 1.177 56.311 55.300 -0.277 0.000 1.140 423 M CB 0.298 32.648 32.600 -0.418 0.000 1.372 423 M HN 0.110 nan 8.290 nan 0.000 0.456 424 I N -0.703 119.709 120.570 -0.263 0.000 3.098 424 I HA -0.075 4.095 4.170 -0.000 0.000 0.241 424 I C 2.030 177.985 176.117 -0.270 0.000 1.081 424 I CA 0.346 61.231 61.300 -0.691 0.000 1.487 424 I CB -0.235 37.300 38.000 -0.776 0.000 1.366 424 I HN 0.109 nan 8.210 nan 0.000 0.463 425 L N 0.409 121.636 121.223 0.006 0.000 2.017 425 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 425 L C 2.686 179.856 176.870 0.500 0.000 1.073 425 L CA 1.634 56.673 54.840 0.331 0.000 0.745 425 L CB -0.432 41.861 42.059 0.390 0.000 0.894 425 L HN 0.300 nan 8.230 nan 0.000 0.432 426 M N -1.011 118.824 119.600 0.391 0.000 2.099 426 M HA -0.170 4.310 4.480 -0.000 0.000 0.262 426 M C 2.335 179.084 176.300 0.748 0.000 1.067 426 M CA 1.941 57.551 55.300 0.517 0.000 1.124 426 M CB -0.697 32.002 32.600 0.165 0.000 1.353 426 M HN 0.223 nan 8.290 nan 0.000 0.410 427 T N -1.228 113.764 114.554 0.729 0.000 2.708 427 T HA -0.220 4.130 4.350 -0.000 0.000 0.266 427 T C 1.705 176.715 174.700 0.518 0.000 1.037 427 T CA 1.824 64.370 62.100 0.742 0.000 1.146 427 T CB -0.484 68.833 68.868 0.748 0.000 0.865 427 T HN 0.420 nan 8.240 nan 0.000 0.435 428 H N 0.075 119.317 119.070 0.286 0.000 2.357 428 H HA 0.065 4.621 4.556 0.000 0.000 0.301 428 H C 1.569 176.765 175.328 -0.220 0.000 1.082 428 H CA 1.281 57.353 56.048 0.040 0.000 1.342 428 H CB -0.346 29.288 29.762 -0.214 0.000 1.389 428 H HN 0.356 nan 8.280 nan 0.000 0.511 429 F N -1.675 118.263 119.950 -0.020 0.000 2.569 429 F HA 0.081 4.608 4.527 0.000 0.000 0.295 429 F C 1.527 177.204 175.800 -0.206 0.000 1.115 429 F CA 0.214 57.988 58.000 -0.376 0.000 1.450 429 F CB -0.238 38.266 39.000 -0.827 0.000 1.107 429 F HN 0.110 nan 8.300 nan 0.000 0.563 430 F N -0.979 119.102 119.950 0.219 0.000 2.710 430 F HA -0.051 4.477 4.527 0.000 0.000 0.298 430 F C 2.514 178.363 175.800 0.082 0.000 1.137 430 F CA 0.747 58.877 58.000 0.217 0.000 1.444 430 F CB -0.471 38.766 39.000 0.395 0.000 1.111 430 F HN -0.108 nan 8.300 nan 0.000 0.580 431 S N 0.375 116.159 115.700 0.140 0.000 2.357 431 S HA -0.099 4.371 4.470 -0.000 0.000 0.221 431 S C 2.121 176.669 174.600 -0.088 0.000 1.031 431 S CA 1.127 59.327 58.200 -0.001 0.000 0.982 431 S CB -0.274 62.905 63.200 -0.036 0.000 0.853 431 S HN 0.323 nan 8.310 nan 0.000 0.458 432 I N 1.312 121.758 120.570 -0.206 0.000 2.546 432 I HA -0.097 4.073 4.170 -0.000 0.000 0.255 432 I C 2.010 178.074 176.117 -0.090 0.000 1.163 432 I CA 0.779 61.960 61.300 -0.198 0.000 1.457 432 I CB -0.264 37.544 38.000 -0.320 0.000 1.092 432 I HN 0.325 nan 8.210 nan 0.000 0.434 433 L N 0.047 121.225 121.223 -0.076 0.000 2.072 433 L HA -0.160 4.180 4.340 -0.000 0.000 0.205 433 L C 2.518 179.385 176.870 -0.004 0.000 1.079 433 L CA 1.044 55.858 54.840 -0.044 0.000 0.752 433 L CB -0.427 41.560 42.059 -0.121 0.000 0.906 433 L HN 0.224 nan 8.230 nan 0.000 0.436 434 L N -0.026 121.209 121.223 0.021 0.000 1.970 434 L HA -0.244 4.096 4.340 -0.000 0.000 0.212 434 L C 2.941 179.817 176.870 0.010 0.000 1.071 434 L CA 1.468 56.330 54.840 0.036 0.000 0.751 434 L CB -0.752 41.336 42.059 0.050 0.000 0.889 434 L HN 0.245 nan 8.230 nan 0.000 0.432 435 A N -0.669 122.146 122.820 -0.008 0.000 1.903 435 A HA -0.295 4.025 4.320 -0.000 0.000 0.219 435 A C 2.113 179.693 177.584 -0.006 0.000 1.191 435 A CA 2.037 54.066 52.037 -0.015 0.000 0.638 435 A CB -0.547 18.434 19.000 -0.032 0.000 0.823 435 A HN 0.589 nan 8.150 nan 0.000 0.451 436 Q N -1.274 118.524 119.800 -0.004 0.000 2.360 436 Q HA 0.105 4.445 4.340 -0.000 0.000 0.202 436 Q C -0.782 175.225 176.000 0.013 0.000 0.915 436 Q CA 0.224 56.031 55.803 0.006 0.000 0.943 436 Q CB 0.242 28.989 28.738 0.014 0.000 1.064 436 Q HN 0.723 nan 8.270 nan 0.000 0.511 437 E N 0.761 120.969 120.200 0.015 0.000 2.246 437 E HA -0.225 4.125 4.350 -0.000 0.000 0.211 437 E C -0.129 176.487 176.600 0.026 0.000 1.278 437 E CA 0.095 56.508 56.400 0.022 0.000 0.694 437 E CB -0.745 28.966 29.700 0.018 0.000 1.166 437 E HN 0.401 nan 8.360 nan 0.000 0.370 438 Q N -0.481 119.334 119.800 0.026 0.000 2.149 438 Q HA 0.162 4.502 4.340 -0.000 0.000 0.221 438 Q C 1.765 177.783 176.000 0.030 0.000 0.807 438 Q CA -0.165 55.658 55.803 0.033 0.000 1.000 438 Q CB 0.536 29.300 28.738 0.045 0.000 1.157 438 Q HN 0.474 nan 8.270 nan 0.000 0.487 439 L N 0.588 121.827 121.223 0.027 0.000 2.450 439 L HA -0.186 4.154 4.340 -0.000 0.000 0.225 439 L C 1.235 178.135 176.870 0.049 0.000 1.145 439 L CA 1.504 56.363 54.840 0.032 0.000 0.801 439 L CB 0.004 42.113 42.059 0.084 0.000 0.924 439 L HN 0.226 nan 8.230 nan 0.000 0.447 440 E N -1.324 118.903 120.200 0.045 0.000 2.601 440 E HA 0.070 4.420 4.350 -0.000 0.000 0.219 440 E C 0.323 176.947 176.600 0.039 0.000 0.964 440 E CA -0.162 56.265 56.400 0.046 0.000 1.050 440 E CB 0.696 30.422 29.700 0.044 0.000 1.068 440 E HN 0.142 nan 8.360 nan 0.000 0.496 441 K N 2.165 122.589 120.400 0.040 0.000 2.316 441 K HA 0.328 4.648 4.320 -0.000 0.000 0.289 441 K C -0.342 176.280 176.600 0.037 0.000 1.070 441 K CA -0.220 56.090 56.287 0.040 0.000 0.928 441 K CB 0.648 33.176 32.500 0.047 0.000 1.039 441 K HN -0.023 nan 8.250 nan 0.000 0.480 442 A N 5.188 128.026 122.820 0.030 0.000 2.511 442 A HA 0.236 4.556 4.320 -0.000 0.000 0.242 442 A C -0.366 177.226 177.584 0.012 0.000 1.069 442 A CA -0.097 51.953 52.037 0.020 0.000 0.763 442 A CB 0.112 19.126 19.000 0.024 0.000 1.001 442 A HN 0.770 nan 8.150 nan 0.000 0.498 443 L N 2.197 123.409 121.223 -0.018 0.000 2.341 443 L HA 0.329 4.669 4.340 -0.000 0.000 0.278 443 L C -0.608 176.232 176.870 -0.051 0.000 1.005 443 L CA -1.022 53.790 54.840 -0.047 0.000 0.818 443 L CB 1.721 43.704 42.059 -0.128 0.000 1.259 443 L HN 0.603 nan 8.230 nan 0.000 0.418 444 D N 1.208 121.592 120.400 -0.027 0.000 2.443 444 D HA 0.184 4.824 4.640 -0.000 0.000 0.239 444 D C -0.617 175.645 176.300 -0.063 0.000 1.136 444 D CA 0.401 54.397 54.000 -0.006 0.000 0.879 444 D CB 1.060 41.875 40.800 0.024 0.000 1.195 444 D HN 0.417 nan 8.370 nan 0.000 0.443 445 C N 3.200 122.487 119.300 -0.022 0.000 2.833 445 C HA 0.297 4.757 4.460 -0.000 0.000 0.383 445 C C -1.140 173.865 174.990 0.025 0.000 1.058 445 C CA -0.673 58.309 59.018 -0.059 0.000 1.259 445 C CB 0.479 28.156 27.740 -0.105 0.000 1.726 445 C HN 0.586 nan 8.230 nan 0.000 0.484 446 Q N 5.727 125.513 119.800 -0.023 0.000 2.349 446 Q HA 0.792 5.132 4.340 -0.000 0.000 0.254 446 Q C -0.464 175.518 176.000 -0.030 0.000 0.980 446 Q CA 0.083 55.883 55.803 -0.006 0.000 0.924 446 Q CB 0.430 29.151 28.738 -0.028 0.000 1.209 446 Q HN 0.790 nan 8.270 nan 0.000 0.445 447 I N 0.212 120.795 120.570 0.022 0.000 2.841 447 I HA 0.399 4.569 4.170 -0.000 0.000 0.298 447 I C -1.050 175.075 176.117 0.013 0.000 1.304 447 I CA -1.360 59.849 61.300 -0.152 0.000 1.019 447 I CB 1.478 39.221 38.000 -0.429 0.000 1.282 447 I HN 0.527 nan 8.210 nan 0.000 0.432 448 Y N 3.179 123.542 120.300 0.105 0.000 3.825 448 Y HA -0.121 4.429 4.550 -0.000 0.000 0.221 448 Y C 1.468 177.416 175.900 0.080 0.000 1.195 448 Y CA 1.348 59.509 58.100 0.103 0.000 1.699 448 Y CB -2.169 36.366 38.460 0.124 0.000 1.531 448 Y HN 1.364 nan 8.280 nan 0.000 0.640 449 G N -1.672 107.210 108.800 0.138 0.000 2.153 449 G HA2 0.134 4.094 3.960 -0.000 0.000 0.252 449 G HA3 0.134 4.094 3.960 -0.000 0.000 0.252 449 G C 0.177 175.078 174.900 0.002 0.000 0.994 449 G CA 0.369 45.497 45.100 0.047 0.000 0.698 449 G HN 1.707 nan 8.290 nan 0.000 0.521 450 A N -1.698 121.113 122.820 -0.015 0.000 2.539 450 A HA 0.725 5.045 4.320 -0.000 0.000 0.296 450 A C -0.084 177.335 177.584 -0.275 0.000 1.073 450 A CA 0.122 52.035 52.037 -0.208 0.000 0.700 450 A CB 1.481 20.243 19.000 -0.396 0.000 1.296 450 A HN 1.681 nan 8.150 nan 0.000 0.405 451 C N 1.850 120.964 119.300 -0.309 0.000 2.273 451 C HA 0.787 5.247 4.460 -0.000 0.000 0.328 451 C C -1.022 173.791 174.990 -0.294 0.000 1.275 451 C CA -0.503 58.402 59.018 -0.189 0.000 1.704 451 C CB -1.629 26.076 27.740 -0.059 0.000 2.326 451 C HN 0.592 nan 8.230 nan 0.000 0.517 452 Y N 2.996 123.285 120.300 -0.017 0.000 2.420 452 Y HA 0.442 4.992 4.550 -0.000 0.000 0.334 452 Y C 0.744 176.629 175.900 -0.024 0.000 1.094 452 Y CA -0.274 57.815 58.100 -0.018 0.000 1.126 452 Y CB 1.575 40.023 38.460 -0.019 0.000 1.217 452 Y HN 0.584 nan 8.280 nan 0.000 0.462 453 S N 3.956 119.744 115.700 0.148 0.000 2.415 453 S HA 0.478 4.948 4.470 -0.000 0.000 0.313 453 S C -0.911 173.727 174.600 0.064 0.000 1.067 453 S CA -0.594 57.652 58.200 0.077 0.000 1.099 453 S CB -0.719 62.513 63.200 0.052 0.000 0.991 453 S HN 0.408 nan 8.310 nan 0.000 0.491 454 I N 4.395 124.980 120.570 0.024 0.000 2.354 454 I HA 0.353 4.523 4.170 -0.000 0.000 0.292 454 I C 0.417 176.528 176.117 -0.011 0.000 0.989 454 I CA -0.473 60.822 61.300 -0.008 0.000 1.188 454 I CB 1.449 39.409 38.000 -0.065 0.000 1.342 454 I HN 0.615 nan 8.210 nan 0.000 0.457 455 E N 7.815 128.022 120.200 0.011 0.000 2.167 455 E HA 0.199 4.549 4.350 -0.000 0.000 0.284 455 E C -1.614 175.016 176.600 0.049 0.000 1.016 455 E CA -1.520 54.897 56.400 0.028 0.000 0.817 455 E CB 1.368 31.091 29.700 0.038 0.000 1.080 455 E HN 0.327 nan 8.360 nan 0.000 0.397 456 P HA -0.196 nan 4.420 nan 0.000 0.217 456 P C 0.973 178.423 177.300 0.249 0.000 1.148 456 P CA 1.167 64.334 63.100 0.111 0.000 0.828 456 P CB 0.217 31.904 31.700 -0.021 0.000 0.783 457 L N -1.072 120.264 121.223 0.189 0.000 2.362 457 L HA -0.108 4.232 4.340 -0.000 0.000 0.219 457 L C 1.473 178.421 176.870 0.130 0.000 1.134 457 L CA 1.075 56.034 54.840 0.199 0.000 0.807 457 L CB -0.746 41.396 42.059 0.139 0.000 0.927 457 L HN -0.047 nan 8.230 nan 0.000 0.447 458 D N -0.077 120.383 120.400 0.100 0.000 2.355 458 D HA -0.014 4.626 4.640 -0.000 0.000 0.218 458 D C 2.293 178.631 176.300 0.063 0.000 1.004 458 D CA 0.398 54.432 54.000 0.057 0.000 0.880 458 D CB 0.226 41.046 40.800 0.034 0.000 0.911 458 D HN 0.259 nan 8.370 nan 0.000 0.528 459 L N 0.879 122.175 121.223 0.122 0.000 2.042 459 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 459 L C -0.505 176.439 176.870 0.123 0.000 1.076 459 L CA 1.443 56.365 54.840 0.137 0.000 0.749 459 L CB -1.391 40.810 42.059 0.238 0.000 0.893 459 L HN 0.070 nan 8.230 nan 0.000 0.432 460 P HA -0.183 nan 4.420 nan 0.000 0.215 460 P C 1.354 178.673 177.300 0.032 0.000 1.153 460 P CA 1.239 64.338 63.100 -0.001 0.000 0.853 460 P CB 0.065 31.602 31.700 -0.272 0.000 0.788 461 Q N -0.882 118.901 119.800 -0.027 0.000 2.079 461 Q HA -0.068 4.272 4.340 -0.000 0.000 0.200 461 Q C 2.196 178.210 176.000 0.023 0.000 0.974 461 Q CA 1.191 56.982 55.803 -0.020 0.000 0.840 461 Q CB -0.929 27.788 28.738 -0.035 0.000 0.898 461 Q HN 0.250 nan 8.270 nan 0.000 0.430 462 I N 0.010 120.598 120.570 0.030 0.000 2.179 462 I HA -0.280 3.890 4.170 -0.000 0.000 0.242 462 I C 1.956 178.101 176.117 0.045 0.000 1.088 462 I CA 1.246 62.554 61.300 0.014 0.000 1.357 462 I CB -0.259 37.742 38.000 0.001 0.000 1.051 462 I HN 0.201 nan 8.210 nan 0.000 0.409 463 I N 0.329 120.972 120.570 0.122 0.000 2.315 463 I HA -0.271 3.899 4.170 -0.000 0.000 0.248 463 I C 2.592 178.754 176.117 0.075 0.000 1.117 463 I CA 1.270 62.652 61.300 0.136 0.000 1.404 463 I CB -0.372 37.715 38.000 0.146 0.000 1.071 463 I HN 0.304 nan 8.210 nan 0.000 0.419 464 E N 1.346 121.659 120.200 0.188 0.000 2.077 464 E HA -0.284 4.066 4.350 -0.000 0.000 0.193 464 E C 2.372 178.998 176.600 0.044 0.000 0.989 464 E CA 1.189 57.686 56.400 0.161 0.000 0.800 464 E CB 0.030 29.855 29.700 0.207 0.000 0.746 464 E HN 0.319 nan 8.360 nan 0.000 0.452 465 R N 0.303 120.811 120.500 0.012 0.000 2.070 465 R HA -0.107 4.233 4.340 -0.000 0.000 0.233 465 R C 2.510 178.752 176.300 -0.097 0.000 1.137 465 R CA 1.314 57.393 56.100 -0.036 0.000 0.945 465 R CB -0.267 30.007 30.300 -0.043 0.000 0.845 465 R HN 0.239 nan 8.270 nan 0.000 0.430 466 L N -0.660 120.471 121.223 -0.154 0.000 2.093 466 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 466 L C 1.830 178.402 176.870 -0.496 0.000 1.085 466 L CA 1.122 55.744 54.840 -0.362 0.000 0.755 466 L CB -0.249 41.526 42.059 -0.474 0.000 0.904 466 L HN 0.445 nan 8.230 nan 0.000 0.435 467 H N -1.593 117.419 119.070 -0.097 0.000 3.241 467 H HA 0.287 4.843 4.556 -0.000 0.000 0.260 467 H C 0.897 176.154 175.328 -0.120 0.000 1.084 467 H CA 0.771 56.749 56.048 -0.117 0.000 1.203 467 H CB 1.097 30.754 29.762 -0.174 0.000 1.524 467 H HN 0.288 nan 8.280 nan 0.000 0.521 468 G N 0.934 109.726 108.800 -0.015 0.000 2.746 468 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.685 468 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.685 468 G C 0.656 175.535 174.900 -0.035 0.000 1.350 468 G CA -0.151 44.946 45.100 -0.005 0.000 0.837 468 G HN 0.202 nan 8.290 nan 0.000 0.564 469 L N 0.970 122.237 121.223 0.074 0.000 2.131 469 L HA -0.101 4.239 4.340 -0.000 0.000 0.210 469 L C 3.253 180.185 176.870 0.103 0.000 1.092 469 L CA 2.331 57.296 54.840 0.209 0.000 0.759 469 L CB -0.501 41.704 42.059 0.243 0.000 0.903 469 L HN 1.004 nan 8.230 nan 0.000 0.435 470 S N 0.041 115.751 115.700 0.017 0.000 2.465 470 S HA -0.176 4.294 4.470 -0.000 0.000 0.241 470 S C 1.971 176.503 174.600 -0.112 0.000 1.000 470 S CA 0.874 59.068 58.200 -0.010 0.000 0.964 470 S CB -0.318 62.870 63.200 -0.020 0.000 0.763 470 S HN 0.376 nan 8.310 nan 0.000 0.512 471 A N 0.377 123.022 122.820 -0.292 0.000 2.119 471 A HA 0.264 4.584 4.320 -0.000 0.000 0.217 471 A C 1.363 178.686 177.584 -0.436 0.000 1.153 471 A CA 0.666 52.430 52.037 -0.455 0.000 0.692 471 A CB -0.716 17.915 19.000 -0.615 0.000 0.799 471 A HN 0.626 nan 8.150 nan 0.000 0.458 472 F N -1.500 118.470 119.950 0.032 0.000 2.727 472 F HA 0.285 4.812 4.527 -0.000 0.000 0.302 472 F C 1.891 177.741 175.800 0.083 0.000 1.097 472 F CA 0.596 58.640 58.000 0.073 0.000 1.330 472 F CB 0.264 39.344 39.000 0.133 0.000 1.084 472 F HN 0.173 nan 8.300 nan 0.000 0.578 473 S N -0.399 115.398 115.700 0.161 0.000 2.787 473 S HA 0.352 4.822 4.470 -0.000 0.000 0.255 473 S C 0.211 174.882 174.600 0.118 0.000 1.051 473 S CA -0.207 58.080 58.200 0.144 0.000 1.124 473 S CB 0.004 63.285 63.200 0.133 0.000 1.104 473 S HN 0.016 nan 8.310 nan 0.000 0.623 474 L N 3.482 124.709 121.223 0.008 0.000 2.416 474 L HA 0.415 4.755 4.340 -0.000 0.000 0.272 474 L C 0.388 177.188 176.870 -0.117 0.000 1.161 474 L CA -0.098 54.661 54.840 -0.136 0.000 0.845 474 L CB 0.399 42.227 42.059 -0.385 0.000 1.119 474 L HN 0.566 nan 8.230 nan 0.000 0.464 475 H N -1.316 117.565 119.070 -0.315 0.000 2.943 475 H HA 0.459 5.015 4.556 -0.000 0.000 0.323 475 H C -0.154 175.022 175.328 -0.253 0.000 1.296 475 H CA -0.995 54.917 56.048 -0.226 0.000 1.155 475 H CB 1.212 30.956 29.762 -0.031 0.000 1.882 475 H HN 0.398 nan 8.280 nan 0.000 0.553 476 S N -0.649 114.999 115.700 -0.087 0.000 3.697 476 S HA -0.237 4.233 4.470 -0.000 0.000 0.388 476 S C -0.632 173.942 174.600 -0.043 0.000 0.941 476 S CA 0.400 58.569 58.200 -0.051 0.000 1.247 476 S CB -2.497 60.607 63.200 -0.159 0.000 0.904 476 S HN 0.503 nan 8.310 nan 0.000 0.518 477 Y N 1.830 122.155 120.300 0.043 0.000 2.335 477 Y HA 0.306 4.856 4.550 -0.000 0.000 0.348 477 Y C 1.451 177.389 175.900 0.064 0.000 1.280 477 Y CA 0.407 58.542 58.100 0.059 0.000 1.504 477 Y CB 0.336 38.831 38.460 0.059 0.000 1.366 477 Y HN 0.522 nan 8.280 nan 0.000 0.621 478 S N 2.113 117.962 115.700 0.248 0.000 2.585 478 S HA 0.127 4.597 4.470 -0.000 0.000 0.273 478 S C -1.818 172.855 174.600 0.123 0.000 1.339 478 S CA -1.116 57.167 58.200 0.137 0.000 1.028 478 S CB 1.186 64.440 63.200 0.091 0.000 0.906 478 S HN 0.498 nan 8.310 nan 0.000 0.528 479 P HA 0.010 nan 4.420 nan 0.000 0.218 479 P C 1.632 178.963 177.300 0.053 0.000 1.149 479 P CA 1.623 64.764 63.100 0.068 0.000 0.817 479 P CB -0.593 31.140 31.700 0.054 0.000 0.785 480 G N 0.369 109.196 108.800 0.044 0.000 2.418 480 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.217 480 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.217 480 G C 1.699 176.616 174.900 0.029 0.000 1.158 480 G CA 0.866 45.982 45.100 0.027 0.000 0.771 480 G HN 0.278 nan 8.290 nan 0.000 0.545 481 E N 0.751 120.985 120.200 0.056 0.000 2.028 481 E HA -0.044 4.306 4.350 -0.000 0.000 0.191 481 E C 2.457 179.083 176.600 0.042 0.000 0.988 481 E CA 0.813 57.253 56.400 0.067 0.000 0.799 481 E CB -0.430 29.356 29.700 0.144 0.000 0.755 481 E HN 0.469 nan 8.360 nan 0.000 0.447 482 I N 0.823 121.425 120.570 0.053 0.000 2.226 482 I HA -0.288 3.882 4.170 -0.000 0.000 0.245 482 I C 1.923 178.052 176.117 0.021 0.000 1.100 482 I CA 1.105 62.424 61.300 0.031 0.000 1.374 482 I CB -0.480 37.557 38.000 0.062 0.000 1.057 482 I HN 0.168 nan 8.210 nan 0.000 0.413 483 N N 0.820 119.535 118.700 0.025 0.000 2.104 483 N HA -0.220 4.520 4.740 -0.000 0.000 0.190 483 N C 1.875 177.382 175.510 -0.005 0.000 1.024 483 N CA 1.249 54.307 53.050 0.014 0.000 0.853 483 N CB -0.464 38.032 38.487 0.015 0.000 1.008 483 N HN 0.335 nan 8.380 nan 0.000 0.424 484 R N 0.803 121.293 120.500 -0.016 0.000 2.073 484 R HA -0.057 4.283 4.340 -0.000 0.000 0.234 484 R C 1.891 178.150 176.300 -0.069 0.000 1.134 484 R CA 1.188 57.260 56.100 -0.047 0.000 0.952 484 R CB -0.247 30.017 30.300 -0.060 0.000 0.850 484 R HN -0.024 nan 8.270 nan 0.000 0.433 485 V N 1.046 120.925 119.914 -0.059 0.000 2.295 485 V HA -0.222 3.898 4.120 -0.000 0.000 0.246 485 V C 2.494 178.566 176.094 -0.037 0.000 1.049 485 V CA 1.990 64.248 62.300 -0.071 0.000 1.024 485 V CB -0.846 30.965 31.823 -0.020 0.000 0.648 485 V HN 0.585 nan 8.190 nan 0.000 0.447 486 A N -0.635 122.181 122.820 -0.007 0.000 1.933 486 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 486 A C 2.542 180.131 177.584 0.009 0.000 1.175 486 A CA 2.146 54.193 52.037 0.017 0.000 0.628 486 A CB -0.704 18.314 19.000 0.029 0.000 0.814 486 A HN 0.498 nan 8.150 nan 0.000 0.444 487 S N -1.440 114.255 115.700 -0.007 0.000 2.428 487 S HA -0.163 4.307 4.470 -0.000 0.000 0.230 487 S C 1.981 176.569 174.600 -0.021 0.000 1.014 487 S CA 1.374 59.568 58.200 -0.010 0.000 0.957 487 S CB -0.838 62.352 63.200 -0.017 0.000 0.784 487 S HN 0.738 nan 8.310 nan 0.000 0.499 488 C N 1.000 120.274 119.300 -0.043 0.000 2.475 488 C HA 0.221 4.681 4.460 -0.000 0.000 0.279 488 C C 2.434 177.406 174.990 -0.031 0.000 1.322 488 C CA 0.370 59.352 59.018 -0.061 0.000 1.734 488 C CB -1.628 26.035 27.740 -0.128 0.000 2.005 488 C HN 0.667 nan 8.230 nan 0.000 0.495 489 L N 0.669 121.887 121.223 -0.008 0.000 2.017 489 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 489 L C 3.053 179.949 176.870 0.043 0.000 1.073 489 L CA 1.633 56.496 54.840 0.037 0.000 0.745 489 L CB -0.861 41.250 42.059 0.086 0.000 0.894 489 L HN 0.352 nan 8.230 nan 0.000 0.432 490 R N 0.596 121.116 120.500 0.032 0.000 2.103 490 R HA -0.244 4.096 4.340 -0.000 0.000 0.234 490 R C 2.339 178.652 176.300 0.021 0.000 1.132 490 R CA 1.887 58.004 56.100 0.028 0.000 0.925 490 R CB -0.552 29.760 30.300 0.020 0.000 0.842 490 R HN 0.283 nan 8.270 nan 0.000 0.430 491 K N 1.146 121.552 120.400 0.011 0.000 2.160 491 K HA -0.143 4.177 4.320 -0.000 0.000 0.206 491 K C 1.804 178.415 176.600 0.018 0.000 1.047 491 K CA 1.299 57.592 56.287 0.010 0.000 0.930 491 K CB -0.005 32.495 32.500 -0.000 0.000 0.720 491 K HN 0.198 nan 8.250 nan 0.000 0.450 492 L N -0.551 120.685 121.223 0.020 0.000 2.567 492 L HA 0.161 4.501 4.340 -0.000 0.000 0.225 492 L C 0.992 177.885 176.870 0.039 0.000 1.119 492 L CA 0.385 55.242 54.840 0.030 0.000 0.871 492 L CB 0.257 42.330 42.059 0.022 0.000 1.036 492 L HN 0.511 nan 8.230 nan 0.000 0.459 493 G N 1.021 109.844 108.800 0.039 0.000 2.176 493 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.252 493 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.252 493 G C 0.007 174.939 174.900 0.054 0.000 1.024 493 G CA 0.120 45.243 45.100 0.039 0.000 0.755 493 G HN 0.120 nan 8.290 nan 0.000 0.507 494 V N 0.741 120.707 119.914 0.085 0.000 2.481 494 V HA 0.479 4.599 4.120 -0.000 0.000 0.286 494 V C -1.323 174.884 176.094 0.187 0.000 1.042 494 V CA -1.779 60.615 62.300 0.157 0.000 0.928 494 V CB 1.611 33.554 31.823 0.199 0.000 0.986 494 V HN 0.137 nan 8.190 nan 0.000 0.462 495 P HA 0.095 nan 4.420 nan 0.000 0.266 495 P C -2.397 175.030 177.300 0.212 0.000 1.193 495 P CA -0.579 62.543 63.100 0.037 0.000 0.770 495 P CB -0.229 31.296 31.700 -0.291 0.000 0.836 496 P HA 0.028 nan 4.420 nan 0.000 0.272 496 P C 0.856 178.355 177.300 0.331 0.000 1.254 496 P CA 0.025 63.240 63.100 0.192 0.000 0.795 496 P CB 0.674 32.436 31.700 0.103 0.000 1.022 497 L N -0.242 121.161 121.223 0.300 0.000 2.141 497 L HA -0.154 4.186 4.340 -0.000 0.000 0.209 497 L C 2.797 179.857 176.870 0.317 0.000 1.094 497 L CA 1.378 56.430 54.840 0.353 0.000 0.763 497 L CB -0.768 41.411 42.059 0.200 0.000 0.908 497 L HN 0.381 nan 8.230 nan 0.000 0.437 498 R N -0.107 120.515 120.500 0.202 0.000 2.096 498 R HA -0.098 4.242 4.340 -0.000 0.000 0.235 498 R C 2.064 178.450 176.300 0.144 0.000 1.127 498 R CA 1.328 57.524 56.100 0.160 0.000 0.968 498 R CB -1.232 29.124 30.300 0.094 0.000 0.861 498 R HN 0.221 nan 8.270 nan 0.000 0.440 499 V N 0.667 120.624 119.914 0.072 0.000 2.261 499 V HA -0.210 3.910 4.120 -0.000 0.000 0.246 499 V C 2.128 178.217 176.094 -0.008 0.000 1.047 499 V CA 1.899 64.170 62.300 -0.048 0.000 1.015 499 V CB -0.761 30.902 31.823 -0.265 0.000 0.642 499 V HN 0.317 nan 8.190 nan 0.000 0.446 500 W N 0.141 121.539 121.300 0.163 0.000 2.374 500 W HA -0.125 4.534 4.660 -0.000 0.000 0.288 500 W C 2.755 179.446 176.519 0.287 0.000 1.218 500 W CA 1.585 59.054 57.345 0.207 0.000 1.245 500 W CB -0.279 29.305 29.460 0.207 0.000 1.126 500 W HN 0.069 nan 8.180 nan 0.000 0.545 501 R N -0.248 120.556 120.500 0.507 0.000 2.081 501 R HA -0.229 4.111 4.340 -0.000 0.000 0.235 501 R C 2.130 178.560 176.300 0.216 0.000 1.131 501 R CA 2.109 58.473 56.100 0.440 0.000 0.960 501 R CB -0.711 29.825 30.300 0.392 0.000 0.856 501 R HN 0.248 nan 8.270 nan 0.000 0.436 502 H N 0.519 119.645 119.070 0.094 0.000 2.293 502 H HA -0.045 4.511 4.556 0.000 0.000 0.300 502 H C 1.943 177.259 175.328 -0.020 0.000 1.082 502 H CA 2.216 58.269 56.048 0.009 0.000 1.308 502 H CB -0.004 29.748 29.762 -0.016 0.000 1.375 502 H HN 0.134 nan 8.280 nan 0.000 0.495 503 R N -0.062 120.376 120.500 -0.104 0.000 2.159 503 R HA -0.082 4.258 4.340 -0.000 0.000 0.237 503 R C 2.494 178.710 176.300 -0.139 0.000 1.131 503 R CA 0.897 56.898 56.100 -0.166 0.000 0.982 503 R CB -0.275 29.989 30.300 -0.061 0.000 0.868 503 R HN 0.423 nan 8.270 nan 0.000 0.453 504 A N 1.444 124.232 122.820 -0.052 0.000 1.873 504 A HA -0.149 4.171 4.320 -0.000 0.000 0.215 504 A C 2.067 179.381 177.584 -0.449 0.000 1.186 504 A CA 1.039 52.938 52.037 -0.231 0.000 0.616 504 A CB -0.334 18.605 19.000 -0.101 0.000 0.823 504 A HN 0.202 nan 8.150 nan 0.000 0.442 505 R N -0.276 120.022 120.500 -0.335 0.000 2.117 505 R HA -0.153 4.187 4.340 -0.000 0.000 0.243 505 R C 2.618 178.737 176.300 -0.303 0.000 1.143 505 R CA 1.562 57.479 56.100 -0.305 0.000 0.968 505 R CB -0.497 29.684 30.300 -0.199 0.000 0.863 505 R HN 0.596 nan 8.270 nan 0.000 0.444 506 S N 0.419 115.924 115.700 -0.324 0.000 2.344 506 S HA -0.127 4.343 4.470 -0.000 0.000 0.217 506 S C 2.082 176.526 174.600 -0.259 0.000 1.033 506 S CA 1.587 59.624 58.200 -0.271 0.000 1.017 506 S CB -0.284 62.749 63.200 -0.279 0.000 0.941 506 S HN 0.132 nan 8.310 nan 0.000 0.430 507 V N 2.797 122.524 119.914 -0.312 0.000 2.380 507 V HA -0.202 3.918 4.120 -0.000 0.000 0.251 507 V C 2.740 178.607 176.094 -0.379 0.000 1.063 507 V CA 2.380 64.490 62.300 -0.318 0.000 1.055 507 V CB -0.995 30.587 31.823 -0.402 0.000 0.657 507 V HN 0.533 nan 8.190 nan 0.000 0.455 508 R N 0.279 120.466 120.500 -0.521 0.000 2.081 508 R HA -0.133 4.207 4.340 -0.000 0.000 0.235 508 R C 2.227 178.415 176.300 -0.187 0.000 1.131 508 R CA 1.637 57.505 56.100 -0.387 0.000 0.960 508 R CB -0.370 29.701 30.300 -0.382 0.000 0.856 508 R HN 0.483 nan 8.270 nan 0.000 0.436 509 A N 0.726 123.442 122.820 -0.173 0.000 1.968 509 A HA -0.057 4.262 4.320 -0.000 0.000 0.217 509 A C 2.090 179.628 177.584 -0.076 0.000 1.169 509 A CA 0.923 52.894 52.037 -0.109 0.000 0.638 509 A CB -0.242 18.695 19.000 -0.105 0.000 0.812 509 A HN 0.325 nan 8.150 nan 0.000 0.446 510 R N -0.478 119.972 120.500 -0.083 0.000 2.148 510 R HA 0.055 4.395 4.340 -0.000 0.000 0.227 510 R C 1.799 178.094 176.300 -0.009 0.000 1.103 510 R CA 1.107 57.181 56.100 -0.043 0.000 0.983 510 R CB -0.345 29.929 30.300 -0.044 0.000 0.874 510 R HN 0.485 nan 8.270 nan 0.000 0.451 511 L N -0.040 121.178 121.223 -0.009 0.000 2.095 511 L HA -0.069 4.271 4.340 -0.000 0.000 0.204 511 L C 2.093 178.979 176.870 0.026 0.000 1.080 511 L CA 0.852 55.718 54.840 0.043 0.000 0.759 511 L CB -0.221 41.881 42.059 0.072 0.000 0.914 511 L HN 0.186 nan 8.230 nan 0.000 0.439 512 L N -0.405 120.815 121.223 -0.005 0.000 2.141 512 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 512 L C 2.866 179.734 176.870 -0.004 0.000 1.094 512 L CA 1.339 56.174 54.840 -0.007 0.000 0.763 512 L CB -0.483 41.558 42.059 -0.031 0.000 0.908 512 L HN 0.392 nan 8.230 nan 0.000 0.437 513 S N -0.635 115.060 115.700 -0.008 0.000 2.368 513 S HA -0.231 4.239 4.470 -0.000 0.000 0.224 513 S C 1.811 176.415 174.600 0.006 0.000 1.029 513 S CA 0.752 58.949 58.200 -0.006 0.000 0.988 513 S CB -0.389 62.804 63.200 -0.012 0.000 0.838 513 S HN 0.472 nan 8.310 nan 0.000 0.462 514 Q N 1.425 121.234 119.800 0.016 0.000 2.437 514 Q HA 0.209 4.549 4.340 -0.000 0.000 0.210 514 Q C 1.400 177.417 176.000 0.028 0.000 0.972 514 Q CA 0.279 56.097 55.803 0.025 0.000 0.903 514 Q CB -0.723 28.039 28.738 0.040 0.000 0.967 514 Q HN 0.775 nan 8.270 nan 0.000 0.486 515 G N -0.016 108.799 108.800 0.025 0.000 2.682 515 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.256 515 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.256 515 G C 0.498 175.419 174.900 0.035 0.000 1.333 515 G CA -0.166 44.949 45.100 0.025 0.000 0.904 515 G HN 0.767 nan 8.290 nan 0.000 0.569 516 G N -1.137 107.682 108.800 0.031 0.000 2.556 516 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.283 516 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.283 516 G C 1.173 176.099 174.900 0.043 0.000 1.177 516 G CA 1.354 46.475 45.100 0.035 0.000 0.978 516 G HN 1.424 nan 8.290 nan 0.000 0.554 517 R N 0.705 121.235 120.500 0.050 0.000 2.153 517 R HA 0.247 4.587 4.340 -0.000 0.000 0.218 517 R C 3.052 179.405 176.300 0.088 0.000 1.072 517 R CA 1.431 57.567 56.100 0.059 0.000 0.990 517 R CB -0.440 29.896 30.300 0.059 0.000 0.889 517 R HN 0.638 nan 8.270 nan 0.000 0.452 518 A N 1.512 124.392 122.820 0.099 0.000 1.969 518 A HA -0.039 4.281 4.320 -0.000 0.000 0.218 518 A C 2.348 179.993 177.584 0.102 0.000 1.169 518 A CA 1.526 53.642 52.037 0.131 0.000 0.635 518 A CB -0.342 18.730 19.000 0.120 0.000 0.810 518 A HN 0.330 nan 8.150 nan 0.000 0.445 519 A N -0.970 121.892 122.820 0.070 0.000 1.930 519 A HA -0.037 4.283 4.320 -0.000 0.000 0.217 519 A C 2.258 179.881 177.584 0.065 0.000 1.175 519 A CA 2.115 54.183 52.037 0.052 0.000 0.627 519 A CB -1.069 17.953 19.000 0.036 0.000 0.815 519 A HN 0.412 nan 8.150 nan 0.000 0.443 520 T N -0.807 113.793 114.554 0.077 0.000 2.777 520 T HA -0.166 4.184 4.350 -0.000 0.000 0.266 520 T C 1.907 176.673 174.700 0.110 0.000 1.040 520 T CA 1.477 63.643 62.100 0.110 0.000 1.141 520 T CB -0.647 68.247 68.868 0.043 0.000 0.868 520 T HN 0.569 nan 8.240 nan 0.000 0.444 521 C N 1.429 120.764 119.300 0.059 0.000 2.413 521 C HA 0.002 4.462 4.460 -0.000 0.000 0.277 521 C C 3.135 178.132 174.990 0.013 0.000 1.228 521 C CA 0.678 59.688 59.018 -0.012 0.000 1.731 521 C CB -1.508 26.224 27.740 -0.014 0.000 2.042 521 C HN 0.724 nan 8.230 nan 0.000 0.468 522 G N 0.024 108.874 108.800 0.084 0.000 2.442 522 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.219 522 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.219 522 G C 1.634 176.577 174.900 0.072 0.000 1.141 522 G CA 1.221 46.404 45.100 0.138 0.000 0.763 522 G HN 0.672 nan 8.290 nan 0.000 0.554 523 K N -0.911 119.500 120.400 0.018 0.000 2.025 523 K HA -0.053 4.267 4.320 -0.000 0.000 0.207 523 K C 2.182 178.659 176.600 -0.204 0.000 1.049 523 K CA 1.050 57.279 56.287 -0.098 0.000 0.933 523 K CB -0.269 32.160 32.500 -0.119 0.000 0.714 523 K HN 0.386 nan 8.250 nan 0.000 0.438 524 Y N 0.756 120.922 120.300 -0.222 0.000 2.231 524 Y HA 0.032 4.582 4.550 0.000 0.000 0.294 524 Y C 1.990 177.736 175.900 -0.258 0.000 1.120 524 Y CA 0.802 58.648 58.100 -0.423 0.000 1.141 524 Y CB 0.040 38.007 38.460 -0.822 0.000 1.022 524 Y HN -0.056 nan 8.280 nan 0.000 0.523 525 L N -1.847 119.329 121.223 -0.079 0.000 2.376 525 L HA -0.086 4.254 4.340 -0.000 0.000 0.219 525 L C 0.455 177.144 176.870 -0.301 0.000 1.133 525 L CA 1.086 55.816 54.840 -0.182 0.000 0.816 525 L CB -0.204 41.526 42.059 -0.549 0.000 0.933 525 L HN 0.181 nan 8.230 nan 0.000 0.449 526 F N -1.739 118.193 119.950 -0.031 0.000 2.775 526 F HA 0.189 4.716 4.527 -0.000 0.000 0.313 526 F C 1.521 177.030 175.800 -0.485 0.000 1.121 526 F CA -0.479 57.280 58.000 -0.401 0.000 1.206 526 F CB -0.383 38.387 39.000 -0.383 0.000 1.052 526 F HN -0.104 nan 8.300 nan 0.000 0.524 527 N N 0.935 119.596 118.700 -0.064 0.000 2.364 527 N HA -0.182 4.558 4.740 -0.000 0.000 0.183 527 N C 1.960 177.462 175.510 -0.013 0.000 1.022 527 N CA 1.579 54.592 53.050 -0.062 0.000 0.883 527 N CB -0.146 38.317 38.487 -0.040 0.000 0.965 527 N HN 0.530 nan 8.380 nan 0.000 0.438 528 W N -0.717 120.635 121.300 0.088 0.000 2.519 528 W HA 0.195 4.855 4.660 -0.000 0.000 0.266 528 W C 1.358 177.942 176.519 0.107 0.000 1.253 528 W CA 0.628 58.029 57.345 0.093 0.000 1.274 528 W CB -0.797 28.730 29.460 0.112 0.000 1.114 528 W HN 0.038 nan 8.180 nan 0.000 0.596 529 A N 1.321 123.753 122.820 -0.646 0.000 2.072 529 A HA 0.187 4.507 4.320 -0.000 0.000 0.216 529 A C 1.005 178.459 177.584 -0.217 0.000 1.156 529 A CA 0.617 52.289 52.037 -0.609 0.000 0.701 529 A CB -0.660 17.736 19.000 -1.007 0.000 0.816 529 A HN 0.006 nan 8.150 nan 0.000 0.458 530 V N 2.025 121.835 119.914 -0.173 0.000 2.465 530 V HA 0.067 4.187 4.120 -0.000 0.000 0.279 530 V C 1.380 177.451 176.094 -0.038 0.000 1.045 530 V CA -0.231 62.011 62.300 -0.098 0.000 0.938 530 V CB 1.409 33.169 31.823 -0.106 0.000 0.986 530 V HN 0.749 nan 8.190 nan 0.000 0.467 531 K N 2.972 123.359 120.400 -0.023 0.000 2.015 531 K HA -0.159 4.161 4.320 -0.000 0.000 0.216 531 K C 0.570 177.158 176.600 -0.020 0.000 1.052 531 K CA 1.617 57.899 56.287 -0.009 0.000 0.937 531 K CB -0.644 31.852 32.500 -0.008 0.000 0.719 531 K HN 0.570 nan 8.250 nan 0.000 0.446 532 T N 2.843 117.378 114.554 -0.031 0.000 2.727 532 T HA 0.197 4.547 4.350 -0.000 0.000 0.298 532 T C -0.316 174.357 174.700 -0.045 0.000 0.942 532 T CA -0.750 61.329 62.100 -0.034 0.000 0.997 532 T CB 1.105 69.953 68.868 -0.033 0.000 0.917 532 T HN 0.071 nan 8.240 nan 0.000 0.487 533 K N 3.007 123.380 120.400 -0.045 0.000 2.270 533 K HA 0.350 4.670 4.320 -0.000 0.000 0.276 533 K C -0.005 176.554 176.600 -0.068 0.000 1.023 533 K CA -0.610 55.645 56.287 -0.055 0.000 0.955 533 K CB 0.754 33.225 32.500 -0.048 0.000 0.975 533 K HN 0.325 nan 8.250 nan 0.000 0.471 534 L N 1.273 122.439 121.223 -0.096 0.000 2.416 534 L HA 0.328 4.668 4.340 -0.000 0.000 0.262 534 L C 0.719 177.512 176.870 -0.128 0.000 1.093 534 L CA -0.114 54.656 54.840 -0.117 0.000 0.801 534 L CB 0.243 42.205 42.059 -0.161 0.000 1.191 534 L HN 0.419 nan 8.230 nan 0.000 0.459 535 K N 1.810 122.139 120.400 -0.118 0.000 2.262 535 K HA 0.415 4.735 4.320 -0.000 0.000 0.282 535 K C -1.247 175.262 176.600 -0.152 0.000 1.066 535 K CA -0.303 55.926 56.287 -0.097 0.000 0.901 535 K CB 0.275 32.744 32.500 -0.052 0.000 1.089 535 K HN 0.480 nan 8.250 nan 0.000 0.476 536 L N 5.473 126.602 121.223 -0.157 0.000 2.268 536 L HA 0.233 4.573 4.340 -0.000 0.000 0.289 536 L C 0.459 177.366 176.870 0.061 0.000 1.064 536 L CA -0.648 54.063 54.840 -0.215 0.000 0.824 536 L CB 0.864 42.787 42.059 -0.228 0.000 1.202 536 L HN 0.745 nan 8.230 nan 0.000 0.433 537 T N 0.535 115.174 114.554 0.143 0.000 2.952 537 T HA 0.534 4.884 4.350 -0.000 0.000 0.286 537 T C -2.605 172.215 174.700 0.199 0.000 1.024 537 T CA -2.447 59.743 62.100 0.150 0.000 1.029 537 T CB 1.465 70.391 68.868 0.096 0.000 1.094 537 T HN 0.171 nan 8.240 nan 0.000 0.515 538 P HA 0.177 nan 4.420 nan 0.000 0.260 538 P C -0.460 176.865 177.300 0.042 0.000 1.185 538 P CA 0.054 63.206 63.100 0.086 0.000 0.763 538 P CB -0.095 31.643 31.700 0.063 0.000 0.776 539 I N 6.261 126.816 120.570 -0.026 0.000 2.471 539 I HA 0.146 4.316 4.170 -0.000 0.000 0.286 539 I C -1.571 174.520 176.117 -0.044 0.000 1.079 539 I CA -1.940 59.307 61.300 -0.087 0.000 1.398 539 I CB 0.173 38.027 38.000 -0.243 0.000 1.403 539 I HN 0.214 nan 8.210 nan 0.000 0.530 540 P HA 0.194 nan 4.420 nan 0.000 0.271 540 P C -0.307 176.982 177.300 -0.018 0.000 1.218 540 P CA -0.355 62.738 63.100 -0.013 0.000 0.780 540 P CB 0.642 32.340 31.700 -0.004 0.000 0.901 541 A N 2.283 125.096 122.820 -0.011 0.000 2.366 541 A HA 0.499 4.819 4.320 -0.000 0.000 0.250 541 A C 0.523 178.103 177.584 -0.007 0.000 1.099 541 A CA 0.025 52.056 52.037 -0.010 0.000 0.794 541 A CB -0.533 18.464 19.000 -0.005 0.000 1.056 541 A HN 0.658 nan 8.150 nan 0.000 0.499 542 A N 0.387 123.204 122.820 -0.004 0.000 2.520 542 A HA 0.488 4.808 4.320 -0.000 0.000 0.235 542 A C 0.937 178.521 177.584 0.001 0.000 1.065 542 A CA 0.502 52.538 52.037 -0.001 0.000 0.764 542 A CB -0.464 18.537 19.000 0.001 0.000 1.002 542 A HN 1.965 nan 8.150 nan 0.000 0.502 543 S N 0.790 116.492 115.700 0.002 0.000 2.801 543 S HA 0.746 5.216 4.470 -0.000 0.000 0.312 543 S C -0.152 174.451 174.600 0.004 0.000 1.112 543 S CA 0.205 58.407 58.200 0.003 0.000 0.943 543 S CB 0.860 64.062 63.200 0.004 0.000 1.269 543 S HN 1.747 nan 8.310 nan 0.000 0.558 544 Q N 0.000 119.802 119.800 0.004 0.000 2.315 544 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 544 Q CA 0.000 55.806 55.803 0.004 0.000 1.022 544 Q CB 0.000 28.741 28.738 0.005 0.000 1.108 544 Q HN 0.000 nan 8.270 nan 0.000 0.481