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 2pa6_1_B DATA FIRST_RESID 1 DATA SEQUENCE MLYNMDERFE IKDIVAREVI DSRGNPTVEV EVITKGNGYG SAIVPSGAST DATA SEQUENCE GTHEALELRD KEKRFGGKGV LMAVENVNSI IRPEILGYDA RMQREIDTIM DATA SEQUENCE IELDGTPNKS RLGANAILAV SLAVAKAAAA TAKIPLYKYL GGFNSYVMPV DATA SEQUENCE PMMNVINGGK HAGNDLDLQE FMIMPVGATS ISEAVRMGSE VYHVLKNVIL DATA SEQUENCE EKYGKNAVNV GDEGGFAPPL KTSREALDLL TESVKKAGYE DEVVFALDAA DATA SEQUENCE ASEFYKDGYY YVEGKKLTRE ELLDYYKALV DEYPIVSIED PFHEEDFEGF DATA SEQUENCE AMITKELDIQ IVGDDLFVTN VERLRKGIEM KAANALLLKV NQIGTLSEAV DATA SEQUENCE DAAQLAFRNG YGVVVSHRSG ETEDTTIADL SVALNSGQIK TGAPARGERT DATA SEQUENCE AKYNQLIRIE QELGLSKYAG RNFRCPF 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.032 176.300 -0.446 0.000 1.140 1 M CA 0.000 55.042 55.300 -0.429 0.000 0.988 1 M CB 0.000 32.117 32.600 -0.805 0.000 1.302 2 L N 1.104 122.166 121.223 -0.267 0.000 2.129 2 L HA -0.219 4.121 4.340 -0.000 0.000 0.212 2 L C 1.865 178.673 176.870 -0.104 0.000 1.087 2 L CA 1.993 56.751 54.840 -0.137 0.000 0.757 2 L CB -0.658 41.382 42.059 -0.032 0.000 0.896 2 L HN 0.929 nan 8.230 nan 0.000 0.434 3 Y N -2.003 118.297 120.300 0.000 0.000 2.571 3 Y HA 0.004 4.554 4.550 -0.000 0.000 0.294 3 Y C 1.939 177.844 175.900 0.009 0.000 1.141 3 Y CA 0.285 58.389 58.100 0.007 0.000 1.308 3 Y CB -1.002 37.462 38.460 0.006 0.000 1.002 3 Y HN 0.112 nan 8.280 nan 0.000 0.551 4 N N -0.067 118.511 118.700 -0.204 0.000 2.353 4 N HA 0.046 4.786 4.740 -0.000 0.000 0.185 4 N C 0.103 175.578 175.510 -0.057 0.000 1.098 4 N CA 0.283 53.278 53.050 -0.091 0.000 0.872 4 N CB 0.054 38.420 38.487 -0.202 0.000 0.970 4 N HN 0.269 nan 8.380 nan 0.000 0.467 5 M N 0.915 120.484 119.600 -0.050 0.000 2.219 5 M HA 0.114 4.594 4.480 -0.000 0.000 0.353 5 M C -0.289 176.044 176.300 0.054 0.000 1.304 5 M CA 0.373 55.663 55.300 -0.018 0.000 1.115 5 M CB 0.280 32.864 32.600 -0.026 0.000 1.664 5 M HN -0.086 nan 8.290 nan 0.000 0.459 6 D N 1.727 122.187 120.400 0.101 0.000 2.591 6 D HA 0.088 4.728 4.640 -0.000 0.000 0.222 6 D C 0.295 176.711 176.300 0.194 0.000 1.360 6 D CA -0.199 53.912 54.000 0.184 0.000 0.967 6 D CB 1.022 42.027 40.800 0.342 0.000 1.456 6 D HN 0.773 nan 8.370 nan 0.000 0.588 7 E N 2.679 122.940 120.200 0.102 0.000 2.265 7 E HA -0.151 4.199 4.350 -0.000 0.000 0.196 7 E C 1.212 177.841 176.600 0.048 0.000 0.996 7 E CA 0.816 57.255 56.400 0.065 0.000 0.832 7 E CB 0.315 30.033 29.700 0.031 0.000 0.756 7 E HN 0.368 nan 8.360 nan 0.000 0.491 8 R N -0.740 119.769 120.500 0.016 0.000 2.152 8 R HA -0.124 4.216 4.340 -0.000 0.000 0.232 8 R C 1.413 177.572 176.300 -0.235 0.000 1.117 8 R CA 1.150 57.164 56.100 -0.143 0.000 0.981 8 R CB -0.148 29.990 30.300 -0.270 0.000 0.870 8 R HN 0.253 nan 8.270 nan 0.000 0.451 9 F N 1.081 121.035 119.950 0.006 0.000 2.797 9 F HA 0.085 4.612 4.527 -0.000 0.000 0.302 9 F C 0.535 176.343 175.800 0.014 0.000 1.130 9 F CA 0.003 58.008 58.000 0.009 0.000 1.387 9 F CB 0.057 39.067 39.000 0.017 0.000 1.107 9 F HN -0.129 nan 8.300 nan 0.000 0.577 10 E N 1.402 121.683 120.200 0.135 0.000 2.384 10 E HA 0.079 4.428 4.350 -0.000 0.000 0.266 10 E C 0.025 176.671 176.600 0.077 0.000 1.012 10 E CA -0.167 56.288 56.400 0.093 0.000 0.901 10 E CB 0.883 30.614 29.700 0.052 0.000 0.967 10 E HN 0.188 nan 8.360 nan 0.000 0.435 11 I N 3.810 124.437 120.570 0.095 0.000 2.505 11 I HA -0.083 4.087 4.170 -0.000 0.000 0.287 11 I C 1.580 177.729 176.117 0.054 0.000 1.104 11 I CA 0.502 61.847 61.300 0.074 0.000 1.387 11 I CB 0.455 38.508 38.000 0.089 0.000 1.404 11 I HN 0.592 nan 8.210 nan 0.000 0.528 12 K N 3.807 124.229 120.400 0.038 0.000 2.166 12 K HA 0.025 4.345 4.320 -0.000 0.000 0.201 12 K C 0.156 176.775 176.600 0.033 0.000 1.052 12 K CA 0.829 57.135 56.287 0.031 0.000 0.969 12 K CB 0.431 32.945 32.500 0.023 0.000 0.761 12 K HN 0.628 nan 8.250 nan 0.000 0.459 13 D N -0.996 119.426 120.400 0.036 0.000 2.623 13 D HA 0.394 5.033 4.640 -0.000 0.000 0.241 13 D C -1.633 174.686 176.300 0.031 0.000 1.241 13 D CA -0.516 53.504 54.000 0.034 0.000 0.788 13 D CB 1.585 42.408 40.800 0.038 0.000 1.413 13 D HN 0.047 nan 8.370 nan 0.000 0.429 14 I N 1.110 121.695 120.570 0.025 0.000 2.656 14 I HA 0.509 4.679 4.170 -0.000 0.000 0.292 14 I C -0.964 175.163 176.117 0.017 0.000 1.144 14 I CA -0.928 60.380 61.300 0.014 0.000 1.038 14 I CB 2.377 40.381 38.000 0.006 0.000 1.244 14 I HN 0.073 nan 8.210 nan 0.000 0.420 15 V N 4.055 123.979 119.914 0.016 0.000 2.733 15 V HA 0.777 4.897 4.120 -0.000 0.000 0.306 15 V C -0.349 175.751 176.094 0.011 0.000 1.084 15 V CA -0.499 61.813 62.300 0.020 0.000 0.905 15 V CB 1.884 33.728 31.823 0.035 0.000 1.010 15 V HN 0.841 nan 8.190 nan 0.000 0.424 16 A N 5.097 127.921 122.820 0.007 0.000 2.356 16 A HA 1.057 5.377 4.320 -0.000 0.000 0.323 16 A C -0.361 177.225 177.584 0.004 0.000 1.119 16 A CA -0.750 51.287 52.037 -0.000 0.000 0.790 16 A CB 1.663 20.658 19.000 -0.007 0.000 1.273 16 A HN 1.042 nan 8.150 nan 0.000 0.452 17 R N 0.621 121.121 120.500 0.000 0.000 2.764 17 R HA 0.632 4.972 4.340 -0.000 0.000 0.270 17 R C -1.117 175.177 176.300 -0.011 0.000 1.014 17 R CA -0.772 55.330 56.100 0.003 0.000 0.904 17 R CB 1.339 31.646 30.300 0.013 0.000 1.236 17 R HN 0.631 nan 8.270 nan 0.000 0.466 18 E N 2.016 122.209 120.200 -0.012 0.000 2.115 18 E HA 0.358 4.708 4.350 -0.000 0.000 0.282 18 E C -0.507 176.070 176.600 -0.039 0.000 0.987 18 E CA -0.822 55.554 56.400 -0.041 0.000 0.797 18 E CB 1.476 31.152 29.700 -0.041 0.000 1.086 18 E HN 0.501 nan 8.360 nan 0.000 0.397 19 V N 2.054 121.930 119.914 -0.063 0.000 3.184 19 V HA 0.675 4.795 4.120 -0.000 0.000 0.308 19 V C 0.040 176.074 176.094 -0.100 0.000 1.243 19 V CA -1.001 61.272 62.300 -0.046 0.000 1.058 19 V CB 1.244 33.054 31.823 -0.022 0.000 1.183 19 V HN 0.658 nan 8.190 nan 0.000 0.471 20 I N -0.556 119.976 120.570 -0.064 0.000 2.693 20 I HA 0.803 4.972 4.170 -0.000 0.000 0.303 20 I C -0.509 175.575 176.117 -0.055 0.000 1.025 20 I CA -0.653 60.594 61.300 -0.088 0.000 1.086 20 I CB 1.841 39.828 38.000 -0.021 0.000 1.268 20 I HN 0.870 nan 8.210 nan 0.000 0.440 21 D N 2.324 122.686 120.400 -0.065 0.000 2.511 21 D HA 0.158 4.798 4.640 -0.000 0.000 0.276 21 D C 1.129 177.413 176.300 -0.025 0.000 1.220 21 D CA -0.203 53.770 54.000 -0.045 0.000 1.077 21 D CB 0.616 41.382 40.800 -0.056 0.000 1.126 21 D HN 0.651 nan 8.370 nan 0.000 0.583 22 S N -1.446 114.239 115.700 -0.024 0.000 2.537 22 S HA -0.116 4.354 4.470 -0.000 0.000 0.240 22 S C 1.214 175.807 174.600 -0.011 0.000 0.981 22 S CA 0.377 58.568 58.200 -0.014 0.000 0.948 22 S CB -0.459 62.729 63.200 -0.019 0.000 0.759 22 S HN 0.498 nan 8.310 nan 0.000 0.531 23 R N 0.048 120.539 120.500 -0.016 0.000 2.472 23 R HA 0.325 4.665 4.340 -0.000 0.000 0.279 23 R C 1.299 177.604 176.300 0.009 0.000 0.953 23 R CA 0.330 56.425 56.100 -0.009 0.000 1.088 23 R CB 0.409 30.696 30.300 -0.023 0.000 1.197 23 R HN 0.511 nan 8.270 nan 0.000 0.536 24 G N 1.376 110.185 108.800 0.015 0.000 2.157 24 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.248 24 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.248 24 G C -0.255 174.677 174.900 0.053 0.000 0.979 24 G CA -0.269 44.863 45.100 0.054 0.000 0.650 24 G HN 0.257 nan 8.290 nan 0.000 0.529 25 N N 1.330 120.013 118.700 -0.027 0.000 2.509 25 N HA 0.497 5.236 4.740 -0.000 0.000 0.287 25 N C -2.698 172.659 175.510 -0.256 0.000 1.121 25 N CA -1.401 51.584 53.050 -0.109 0.000 0.977 25 N CB 1.399 39.843 38.487 -0.072 0.000 1.167 25 N HN 0.044 nan 8.380 nan 0.000 0.476 26 P HA 0.103 nan 4.420 nan 0.000 0.269 26 P C -0.125 177.020 177.300 -0.258 0.000 1.215 26 P CA 0.252 63.043 63.100 -0.515 0.000 0.780 26 P CB 0.695 31.957 31.700 -0.730 0.000 0.898 27 T N 0.568 115.007 114.554 -0.192 0.000 2.769 27 T HA 0.396 4.746 4.350 -0.000 0.000 0.306 27 T C -1.450 173.195 174.700 -0.091 0.000 1.400 27 T CA -0.546 61.483 62.100 -0.119 0.000 1.007 27 T CB 0.713 69.527 68.868 -0.090 0.000 1.392 27 T HN -0.040 nan 8.240 nan 0.000 0.500 28 V N 2.722 122.597 119.914 -0.065 0.000 2.439 28 V HA 0.601 4.721 4.120 -0.000 0.000 0.282 28 V C 0.122 176.194 176.094 -0.037 0.000 1.039 28 V CA -0.451 61.820 62.300 -0.048 0.000 0.913 28 V CB 1.277 33.076 31.823 -0.040 0.000 0.983 28 V HN 0.855 nan 8.190 nan 0.000 0.460 29 E N 3.791 123.974 120.200 -0.028 0.000 2.222 29 E HA 0.715 5.065 4.350 -0.000 0.000 0.267 29 E C -1.919 174.670 176.600 -0.019 0.000 0.884 29 E CA -0.518 55.869 56.400 -0.021 0.000 0.764 29 E CB 2.287 31.982 29.700 -0.010 0.000 1.169 29 E HN 0.436 nan 8.360 nan 0.000 0.413 30 V N 3.551 123.448 119.914 -0.028 0.000 2.709 30 V HA 0.364 4.484 4.120 -0.000 0.000 0.308 30 V C -0.761 175.296 176.094 -0.061 0.000 1.062 30 V CA -0.769 61.511 62.300 -0.033 0.000 0.901 30 V CB 2.020 33.821 31.823 -0.037 0.000 1.003 30 V HN 0.761 nan 8.190 nan 0.000 0.425 31 E N 2.314 122.485 120.200 -0.049 0.000 2.183 31 E HA 0.751 5.101 4.350 -0.000 0.000 0.271 31 E C -1.552 174.990 176.600 -0.097 0.000 0.919 31 E CA -0.585 55.754 56.400 -0.101 0.000 0.781 31 E CB 2.661 32.397 29.700 0.060 0.000 1.140 31 E HN 0.402 nan 8.360 nan 0.000 0.402 32 V N 3.853 123.648 119.914 -0.198 0.000 2.760 32 V HA 0.525 4.645 4.120 -0.000 0.000 0.309 32 V C -0.665 175.380 176.094 -0.081 0.000 1.077 32 V CA -0.746 61.492 62.300 -0.102 0.000 0.910 32 V CB 2.068 33.834 31.823 -0.095 0.000 1.008 32 V HN 0.616 nan 8.190 nan 0.000 0.424 33 I N 3.259 123.841 120.570 0.021 0.000 2.619 33 I HA 0.634 4.804 4.170 -0.000 0.000 0.292 33 I C 0.261 176.397 176.117 0.033 0.000 1.100 33 I CA -0.067 61.274 61.300 0.069 0.000 1.043 33 I CB 2.642 40.734 38.000 0.153 0.000 1.239 33 I HN 0.869 nan 8.210 nan 0.000 0.420 34 T N 2.115 116.675 114.554 0.010 0.000 2.912 34 T HA 0.392 4.742 4.350 -0.000 0.000 0.280 34 T C 0.864 175.551 174.700 -0.022 0.000 0.989 34 T CA -0.645 61.449 62.100 -0.010 0.000 0.995 34 T CB 1.555 70.388 68.868 -0.057 0.000 1.077 34 T HN 0.625 nan 8.240 nan 0.000 0.531 35 K N 0.280 120.665 120.400 -0.025 0.000 2.209 35 K HA 0.008 4.328 4.320 -0.000 0.000 0.204 35 K C 2.079 178.645 176.600 -0.056 0.000 1.048 35 K CA 1.114 57.384 56.287 -0.027 0.000 0.940 35 K CB -0.494 31.997 32.500 -0.016 0.000 0.729 35 K HN 0.812 nan 8.250 nan 0.000 0.451 36 G N 0.768 109.503 108.800 -0.109 0.000 3.124 36 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.212 36 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.212 36 G C -0.121 174.714 174.900 -0.109 0.000 1.181 36 G CA -0.238 44.777 45.100 -0.141 0.000 0.803 36 G HN 0.293 nan 8.290 nan 0.000 0.529 37 N N -0.971 117.689 118.700 -0.066 0.000 2.782 37 N HA -0.127 4.613 4.740 -0.000 0.000 0.251 37 N C 0.844 176.345 175.510 -0.015 0.000 1.101 37 N CA 0.946 53.978 53.050 -0.030 0.000 0.764 37 N CB -1.386 37.081 38.487 -0.033 0.000 1.122 37 N HN 0.507 nan 8.380 nan 0.000 0.561 38 G N 0.318 109.089 108.800 -0.047 0.000 2.349 38 G HA2 0.346 4.306 3.960 -0.000 0.000 0.281 38 G HA3 0.346 4.306 3.960 -0.000 0.000 0.281 38 G C -0.669 174.260 174.900 0.049 0.000 1.182 38 G CA -0.164 44.916 45.100 -0.034 0.000 0.899 38 G HN 0.284 nan 8.290 nan 0.000 0.455 39 Y N 2.184 122.449 120.300 -0.057 0.000 2.360 39 Y HA 0.647 5.197 4.550 -0.000 0.000 0.337 39 Y C 0.309 176.188 175.900 -0.035 0.000 1.039 39 Y CA -0.683 57.394 58.100 -0.039 0.000 1.109 39 Y CB 2.080 40.522 38.460 -0.029 0.000 1.201 39 Y HN 0.673 nan 8.280 nan 0.000 0.458 40 G N 2.578 110.943 108.800 -0.724 0.000 2.682 40 G HA2 0.505 4.465 3.960 -0.000 0.000 0.300 40 G HA3 0.505 4.465 3.960 -0.000 0.000 0.300 40 G C -1.834 172.606 174.900 -0.766 0.000 1.391 40 G CA -0.817 43.944 45.100 -0.566 0.000 0.990 40 G HN 0.660 nan 8.290 nan 0.000 0.501 41 S N -0.430 114.989 115.700 -0.467 0.000 2.548 41 S HA 0.867 5.336 4.470 -0.000 0.000 0.276 41 S C -0.519 174.008 174.600 -0.122 0.000 1.129 41 S CA 0.070 58.097 58.200 -0.288 0.000 0.931 41 S CB 1.480 64.579 63.200 -0.168 0.000 1.068 41 S HN 1.894 nan 8.310 nan 0.000 0.480 42 A N 4.042 126.813 122.820 -0.083 0.000 2.549 42 A HA 0.856 5.175 4.320 -0.000 0.000 0.297 42 A C -1.470 176.095 177.584 -0.032 0.000 1.061 42 A CA -0.670 51.340 52.037 -0.046 0.000 0.690 42 A CB 1.124 20.098 19.000 -0.044 0.000 1.287 42 A HN 0.788 nan 8.150 nan 0.000 0.402 43 I N 1.689 122.246 120.570 -0.022 0.000 2.545 43 I HA 0.529 4.699 4.170 -0.000 0.000 0.292 43 I C -0.127 175.976 176.117 -0.023 0.000 1.040 43 I CA -1.229 60.058 61.300 -0.022 0.000 1.068 43 I CB 2.073 40.062 38.000 -0.018 0.000 1.251 43 I HN 0.563 nan 8.210 nan 0.000 0.424 44 V N 3.631 123.528 119.914 -0.028 0.000 2.617 44 V HA 0.652 4.772 4.120 -0.000 0.000 0.298 44 V C -2.426 173.649 176.094 -0.032 0.000 1.048 44 V CA -1.744 60.541 62.300 -0.026 0.000 0.964 44 V CB 0.987 32.794 31.823 -0.027 0.000 1.004 44 V HN 0.560 nan 8.190 nan 0.000 0.466 45 P HA 0.258 nan 4.420 nan 0.000 0.282 45 P C -0.117 177.158 177.300 -0.042 0.000 1.287 45 P CA -0.236 62.843 63.100 -0.036 0.000 0.792 45 P CB 0.977 32.659 31.700 -0.029 0.000 1.163 46 S N -1.216 114.454 115.700 -0.050 0.000 2.572 46 S HA 0.486 4.956 4.470 -0.000 0.000 0.279 46 S C 0.659 175.235 174.600 -0.040 0.000 1.341 46 S CA 0.256 58.426 58.200 -0.050 0.000 1.043 46 S CB 0.001 63.168 63.200 -0.055 0.000 0.887 46 S HN 0.764 nan 8.310 nan 0.000 0.516 47 G N 0.651 109.431 108.800 -0.034 0.000 3.253 47 G HA2 0.758 4.718 3.960 -0.000 0.000 0.175 47 G HA3 0.758 4.718 3.960 -0.000 0.000 0.175 47 G C -1.065 173.823 174.900 -0.019 0.000 1.098 47 G CA -0.433 44.653 45.100 -0.023 0.000 0.790 47 G HN 1.398 nan 8.290 nan 0.000 0.648 48 A N -0.620 122.192 122.820 -0.014 0.000 2.422 48 A HA 0.630 4.950 4.320 -0.000 0.000 0.302 48 A C 0.437 178.015 177.584 -0.011 0.000 1.041 48 A CA 0.448 52.479 52.037 -0.011 0.000 0.708 48 A CB 1.699 20.696 19.000 -0.006 0.000 1.257 48 A HN 1.438 nan 8.150 nan 0.000 0.414 49 S N 0.210 115.903 115.700 -0.011 0.000 2.535 49 S HA 0.230 4.699 4.470 -0.000 0.000 0.214 49 S C 0.619 175.214 174.600 -0.009 0.000 0.980 49 S CA 0.720 58.914 58.200 -0.011 0.000 0.907 49 S CB -0.349 62.845 63.200 -0.011 0.000 0.790 49 S HN 1.543 nan 8.310 nan 0.000 0.510 50 T N -1.818 112.730 114.554 -0.010 0.000 2.916 50 T HA 0.784 5.134 4.350 -0.000 0.000 0.298 50 T C -0.279 174.409 174.700 -0.019 0.000 1.031 50 T CA -0.286 61.806 62.100 -0.013 0.000 0.993 50 T CB 1.612 70.473 68.868 -0.012 0.000 1.045 50 T HN 0.781 nan 8.240 nan 0.000 0.454 51 G N 0.449 109.232 108.800 -0.029 0.000 2.325 51 G HA2 0.448 4.408 3.960 -0.000 0.000 0.297 51 G HA3 0.448 4.408 3.960 -0.000 0.000 0.297 51 G C 0.028 174.887 174.900 -0.068 0.000 1.448 51 G CA -0.056 45.015 45.100 -0.049 0.000 0.838 51 G HN 1.273 nan 8.290 nan 0.000 0.579 52 T N -3.340 111.125 114.554 -0.148 0.000 3.003 52 T HA 0.327 4.677 4.350 -0.000 0.000 0.261 52 T C 0.968 175.625 174.700 -0.072 0.000 1.003 52 T CA 0.850 62.847 62.100 -0.171 0.000 0.917 52 T CB 0.037 68.727 68.868 -0.295 0.000 1.084 52 T HN 0.624 nan 8.240 nan 0.000 0.522 53 H N 0.471 119.554 119.070 0.022 0.000 3.400 53 H HA 0.322 4.878 4.556 -0.000 0.000 0.251 53 H C 0.666 176.007 175.328 0.021 0.000 1.040 53 H CA -0.396 55.669 56.048 0.027 0.000 1.175 53 H CB 0.906 30.694 29.762 0.043 0.000 1.487 53 H HN 0.544 nan 8.280 nan 0.000 0.505 54 E N 1.657 121.931 120.200 0.123 0.000 2.232 54 E HA 0.623 4.973 4.350 -0.000 0.000 0.265 54 E C -0.497 176.127 176.600 0.040 0.000 1.001 54 E CA -1.118 55.325 56.400 0.072 0.000 0.870 54 E CB 1.799 31.531 29.700 0.054 0.000 1.175 54 E HN 0.091 nan 8.360 nan 0.000 0.407 55 A N 2.253 125.088 122.820 0.026 0.000 2.477 55 A HA 0.312 4.632 4.320 -0.000 0.000 0.246 55 A C -0.047 177.541 177.584 0.006 0.000 1.078 55 A CA -0.310 51.734 52.037 0.012 0.000 0.770 55 A CB -0.095 18.908 19.000 0.005 0.000 1.011 55 A HN 0.540 nan 8.150 nan 0.000 0.494 56 L N 2.485 123.709 121.223 0.002 0.000 2.295 56 L HA 0.358 4.697 4.340 -0.000 0.000 0.285 56 L C 0.592 177.457 176.870 -0.008 0.000 1.035 56 L CA -0.375 54.463 54.840 -0.003 0.000 0.806 56 L CB 1.284 43.340 42.059 -0.004 0.000 1.214 56 L HN 0.780 nan 8.230 nan 0.000 0.426 57 E N 1.646 121.839 120.200 -0.012 0.000 2.374 57 E HA 0.239 4.588 4.350 -0.000 0.000 0.260 57 E C -0.978 175.613 176.600 -0.016 0.000 1.101 57 E CA -0.665 55.725 56.400 -0.017 0.000 0.907 57 E CB 1.614 31.300 29.700 -0.023 0.000 1.014 57 E HN 0.206 nan 8.360 nan 0.000 0.427 58 L N 3.353 124.565 121.223 -0.018 0.000 2.272 58 L HA 0.298 4.638 4.340 -0.000 0.000 0.289 58 L C -0.867 175.991 176.870 -0.019 0.000 1.032 58 L CA -0.148 54.682 54.840 -0.016 0.000 0.810 58 L CB 0.682 42.733 42.059 -0.014 0.000 1.205 58 L HN 0.341 nan 8.230 nan 0.000 0.422 59 R N 3.102 123.593 120.500 -0.015 0.000 2.711 59 R HA 0.326 4.666 4.340 -0.000 0.000 0.284 59 R C 0.050 176.348 176.300 -0.004 0.000 0.968 59 R CA -0.701 55.390 56.100 -0.015 0.000 0.924 59 R CB 1.514 31.806 30.300 -0.013 0.000 1.162 59 R HN 0.594 nan 8.270 nan 0.000 0.465 60 D N 1.749 122.151 120.400 0.003 0.000 2.183 60 D HA -0.066 4.574 4.640 -0.000 0.000 0.203 60 D C -0.040 176.271 176.300 0.018 0.000 0.969 60 D CA 0.768 54.777 54.000 0.014 0.000 0.842 60 D CB 0.185 41.001 40.800 0.027 0.000 0.957 60 D HN 0.463 nan 8.370 nan 0.000 0.484 61 K N 0.368 120.780 120.400 0.021 0.000 3.071 61 K HA -0.203 4.117 4.320 -0.000 0.000 0.265 61 K C -0.250 176.365 176.600 0.025 0.000 1.060 61 K CA 0.531 56.830 56.287 0.021 0.000 0.767 61 K CB -1.314 31.193 32.500 0.012 0.000 1.241 61 K HN 0.359 nan 8.250 nan 0.000 0.486 62 E N 0.113 120.334 120.200 0.036 0.000 2.285 62 E HA 0.225 4.575 4.350 -0.000 0.000 0.254 62 E C 0.934 177.556 176.600 0.037 0.000 1.011 62 E CA -0.824 55.596 56.400 0.034 0.000 0.873 62 E CB 0.971 30.696 29.700 0.041 0.000 1.229 62 E HN 0.123 nan 8.360 nan 0.000 0.422 63 K N 1.065 121.480 120.400 0.025 0.000 2.057 63 K HA -0.122 4.197 4.320 -0.000 0.000 0.207 63 K C 0.628 177.239 176.600 0.018 0.000 1.049 63 K CA 0.929 57.225 56.287 0.016 0.000 0.931 63 K CB -0.022 32.480 32.500 0.002 0.000 0.714 63 K HN 0.400 nan 8.250 nan 0.000 0.440 64 R N -0.321 120.193 120.500 0.024 0.000 2.679 64 R HA -0.090 4.250 4.340 -0.000 0.000 0.268 64 R C -0.401 175.976 176.300 0.127 0.000 1.044 64 R CA 0.171 56.276 56.100 0.009 0.000 1.105 64 R CB -0.236 30.076 30.300 0.021 0.000 0.989 64 R HN 0.108 nan 8.270 nan 0.000 0.447 65 F N 1.103 121.050 119.950 -0.004 0.000 3.100 65 F HA -0.199 4.328 4.527 -0.000 0.000 0.283 65 F C 1.452 177.248 175.800 -0.008 0.000 0.900 65 F CA 1.890 59.886 58.000 -0.006 0.000 1.010 65 F CB -1.675 37.322 39.000 -0.006 0.000 1.029 65 F HN 1.145 nan 8.300 nan 0.000 0.637 66 G N -0.762 108.112 108.800 0.123 0.000 2.283 66 G HA2 0.126 4.086 3.960 -0.000 0.000 0.280 66 G HA3 0.126 4.086 3.960 -0.000 0.000 0.280 66 G C 1.524 176.468 174.900 0.073 0.000 1.029 66 G CA 1.091 46.237 45.100 0.078 0.000 0.840 66 G HN 2.169 nan 8.290 nan 0.000 0.505 67 G N -1.167 107.684 108.800 0.085 0.000 2.159 67 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.256 67 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.256 67 G C 0.761 175.693 174.900 0.053 0.000 0.977 67 G CA 1.204 46.340 45.100 0.061 0.000 0.652 67 G HN 1.035 nan 8.290 nan 0.000 0.531 68 K N 0.702 121.145 120.400 0.073 0.000 2.446 68 K HA 0.362 4.682 4.320 -0.000 0.000 0.203 68 K C 1.570 178.147 176.600 -0.040 0.000 1.027 68 K CA 0.117 56.412 56.287 0.013 0.000 1.166 68 K CB 0.651 33.151 32.500 -0.001 0.000 0.869 68 K HN 0.400 nan 8.250 nan 0.000 0.504 69 G N 0.862 109.676 108.800 0.022 0.000 2.614 69 G HA2 0.163 4.123 3.960 -0.000 0.000 0.239 69 G HA3 0.163 4.123 3.960 -0.000 0.000 0.239 69 G C 0.549 175.419 174.900 -0.050 0.000 1.240 69 G CA -0.355 44.732 45.100 -0.022 0.000 0.842 69 G HN 0.133 nan 8.290 nan 0.000 0.584 70 V N 0.121 119.990 119.914 -0.074 0.000 2.909 70 V HA 0.312 4.432 4.120 -0.000 0.000 0.362 70 V C 1.524 177.600 176.094 -0.031 0.000 1.356 70 V CA -0.191 62.076 62.300 -0.055 0.000 1.195 70 V CB -0.447 31.329 31.823 -0.078 0.000 1.256 70 V HN 0.618 nan 8.190 nan 0.000 0.567 71 L N -0.636 120.582 121.223 -0.009 0.000 2.131 71 L HA -0.063 4.277 4.340 -0.000 0.000 0.210 71 L C 2.604 179.475 176.870 0.002 0.000 1.092 71 L CA 2.006 56.849 54.840 0.005 0.000 0.759 71 L CB -0.373 41.701 42.059 0.025 0.000 0.903 71 L HN 0.375 nan 8.230 nan 0.000 0.435 72 M N -0.571 119.029 119.600 0.000 0.000 2.099 72 M HA -0.147 4.333 4.480 -0.000 0.000 0.262 72 M C 2.580 178.877 176.300 -0.006 0.000 1.067 72 M CA 1.822 57.121 55.300 -0.001 0.000 1.124 72 M CB -0.452 32.148 32.600 -0.000 0.000 1.353 72 M HN 0.292 nan 8.290 nan 0.000 0.410 73 A N -0.153 122.659 122.820 -0.012 0.000 1.902 73 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 73 A C 2.243 179.818 177.584 -0.015 0.000 1.181 73 A CA 1.647 53.674 52.037 -0.016 0.000 0.623 73 A CB -1.034 17.952 19.000 -0.023 0.000 0.818 73 A HN 0.297 nan 8.150 nan 0.000 0.443 74 V N 0.019 119.925 119.914 -0.014 0.000 2.343 74 V HA -0.269 3.851 4.120 -0.000 0.000 0.247 74 V C 2.545 178.636 176.094 -0.005 0.000 1.051 74 V CA 2.335 64.629 62.300 -0.011 0.000 1.036 74 V CB -0.632 31.186 31.823 -0.009 0.000 0.654 74 V HN 0.798 nan 8.190 nan 0.000 0.451 75 E N 0.124 120.323 120.200 -0.002 0.000 2.150 75 E HA -0.236 4.114 4.350 -0.000 0.000 0.193 75 E C 1.996 178.595 176.600 -0.002 0.000 0.985 75 E CA 1.245 57.646 56.400 0.001 0.000 0.814 75 E CB -0.057 29.645 29.700 0.003 0.000 0.752 75 E HN 0.586 nan 8.360 nan 0.000 0.466 76 N N 0.248 118.945 118.700 -0.005 0.000 2.166 76 N HA -0.135 4.605 4.740 -0.000 0.000 0.186 76 N C 1.832 177.337 175.510 -0.009 0.000 1.019 76 N CA 1.047 54.092 53.050 -0.007 0.000 0.856 76 N CB -0.194 38.287 38.487 -0.010 0.000 0.993 76 N HN 0.078 nan 8.380 nan 0.000 0.426 77 V N 1.797 121.706 119.914 -0.010 0.000 2.283 77 V HA -0.132 3.988 4.120 -0.000 0.000 0.243 77 V C 1.829 177.920 176.094 -0.005 0.000 1.039 77 V CA 1.308 63.601 62.300 -0.011 0.000 1.016 77 V CB -0.421 31.395 31.823 -0.013 0.000 0.650 77 V HN 0.292 nan 8.190 nan 0.000 0.449 78 N N 0.094 118.793 118.700 -0.002 0.000 2.244 78 N HA -0.083 4.657 4.740 -0.000 0.000 0.183 78 N C 1.893 177.405 175.510 0.004 0.000 1.016 78 N CA 1.667 54.719 53.050 0.003 0.000 0.866 78 N CB -0.037 38.454 38.487 0.006 0.000 0.980 78 N HN 0.406 nan 8.380 nan 0.000 0.430 79 S N -0.513 115.188 115.700 0.002 0.000 2.514 79 S HA 0.273 4.743 4.470 -0.000 0.000 0.223 79 S C 1.571 176.172 174.600 0.001 0.000 1.046 79 S CA -0.234 57.968 58.200 0.003 0.000 0.914 79 S CB 0.866 64.068 63.200 0.004 0.000 0.807 79 S HN 0.106 nan 8.310 nan 0.000 0.497 80 I N 1.078 121.647 120.570 -0.002 0.000 2.899 80 I HA 0.238 4.408 4.170 -0.000 0.000 0.257 80 I C 1.915 178.027 176.117 -0.008 0.000 1.115 80 I CA 0.737 62.034 61.300 -0.004 0.000 1.451 80 I CB -1.067 36.930 38.000 -0.006 0.000 1.251 80 I HN 0.184 nan 8.210 nan 0.000 0.456 81 I N 0.849 121.412 120.570 -0.012 0.000 2.233 81 I HA -0.237 3.933 4.170 -0.000 0.000 0.243 81 I C 2.784 178.893 176.117 -0.014 0.000 1.093 81 I CA 1.004 62.293 61.300 -0.019 0.000 1.380 81 I CB -0.386 37.600 38.000 -0.024 0.000 1.067 81 I HN 0.180 nan 8.210 nan 0.000 0.413 82 R N 1.739 122.236 120.500 -0.006 0.000 2.136 82 R HA -0.205 4.135 4.340 -0.000 0.000 0.242 82 R C -0.527 175.780 176.300 0.011 0.000 1.131 82 R CA 2.586 58.688 56.100 0.003 0.000 0.937 82 R CB -1.502 28.802 30.300 0.007 0.000 0.863 82 R HN 0.229 nan 8.270 nan 0.000 0.435 83 P HA -0.136 nan 4.420 nan 0.000 0.222 83 P C 0.210 177.524 177.300 0.024 0.000 1.147 83 P CA 1.317 64.429 63.100 0.019 0.000 0.790 83 P CB -0.014 31.695 31.700 0.014 0.000 0.780 84 E N -0.024 120.183 120.200 0.012 0.000 2.299 84 E HA 0.005 4.355 4.350 -0.000 0.000 0.193 84 E C 1.944 178.554 176.600 0.017 0.000 0.998 84 E CA 0.682 57.088 56.400 0.010 0.000 0.851 84 E CB -0.137 29.553 29.700 -0.016 0.000 0.795 84 E HN 0.526 nan 8.360 nan 0.000 0.492 85 I N -2.982 117.597 120.570 0.015 0.000 4.154 85 I HA 0.218 4.388 4.170 -0.000 0.000 0.334 85 I C 0.425 176.611 176.117 0.115 0.000 1.371 85 I CA -0.354 60.967 61.300 0.035 0.000 1.110 85 I CB 0.281 38.245 38.000 -0.059 0.000 1.085 85 I HN -0.208 nan 8.210 nan 0.000 0.398 86 L N 3.493 124.766 121.223 0.083 0.000 2.499 86 L HA 0.229 4.569 4.340 -0.000 0.000 0.273 86 L C 1.450 178.381 176.870 0.103 0.000 1.195 86 L CA 1.467 56.354 54.840 0.079 0.000 0.882 86 L CB 0.549 42.639 42.059 0.052 0.000 1.133 86 L HN 0.643 nan 8.230 nan 0.000 0.483 87 G N 2.290 111.146 108.800 0.095 0.000 2.199 87 G HA2 -0.346 3.613 3.960 -0.000 0.000 0.254 87 G HA3 -0.346 3.613 3.960 -0.000 0.000 0.254 87 G C 0.000 174.950 174.900 0.083 0.000 0.982 87 G CA -0.237 44.908 45.100 0.074 0.000 0.632 87 G HN 0.535 nan 8.290 nan 0.000 0.529 88 Y N 1.804 122.121 120.300 0.028 0.000 2.397 88 Y HA 0.433 4.983 4.550 -0.000 0.000 0.335 88 Y C 0.757 176.687 175.900 0.050 0.000 1.213 88 Y CA 0.102 58.221 58.100 0.031 0.000 1.391 88 Y CB 0.797 39.271 38.460 0.024 0.000 1.293 88 Y HN 0.144 nan 8.280 nan 0.000 0.557 89 D N 3.638 124.026 120.400 -0.020 0.000 2.363 89 D HA 0.045 4.685 4.640 -0.000 0.000 0.263 89 D C 0.650 177.088 176.300 0.230 0.000 1.258 89 D CA 0.543 54.593 54.000 0.085 0.000 0.907 89 D CB 1.045 41.818 40.800 -0.045 0.000 1.107 89 D HN 0.751 nan 8.370 nan 0.000 0.495 90 A N 5.185 128.146 122.820 0.235 0.000 2.076 90 A HA -0.193 4.127 4.320 -0.000 0.000 0.220 90 A C 2.071 179.770 177.584 0.191 0.000 1.160 90 A CA 1.041 53.205 52.037 0.210 0.000 0.653 90 A CB -0.150 18.966 19.000 0.194 0.000 0.801 90 A HN 0.661 nan 8.150 nan 0.000 0.455 91 R N -0.994 119.589 120.500 0.138 0.000 2.189 91 R HA 0.063 4.403 4.340 -0.000 0.000 0.218 91 R C 0.210 176.576 176.300 0.110 0.000 1.074 91 R CA 0.582 56.739 56.100 0.096 0.000 0.991 91 R CB -0.137 30.066 30.300 -0.161 0.000 0.883 91 R HN 0.366 nan 8.270 nan 0.000 0.457 92 M N 1.694 121.371 119.600 0.129 0.000 3.706 92 M HA 0.030 4.510 4.480 -0.000 0.000 0.204 92 M C 0.962 177.335 176.300 0.121 0.000 1.455 92 M CA 0.293 55.678 55.300 0.141 0.000 1.659 92 M CB 0.419 33.174 32.600 0.258 0.000 1.076 92 M HN -0.003 nan 8.290 nan 0.000 0.577 93 Q N 2.165 122.021 119.800 0.094 0.000 2.030 93 Q HA -0.143 4.197 4.340 -0.000 0.000 0.204 93 Q C 1.782 177.794 176.000 0.021 0.000 0.986 93 Q CA 2.223 58.066 55.803 0.066 0.000 0.843 93 Q CB 0.113 28.900 28.738 0.082 0.000 0.904 93 Q HN 0.535 nan 8.270 nan 0.000 0.420 94 R N -0.250 120.258 120.500 0.014 0.000 2.096 94 R HA -0.150 4.190 4.340 -0.000 0.000 0.235 94 R C 2.153 178.444 176.300 -0.015 0.000 1.127 94 R CA 1.481 57.578 56.100 -0.004 0.000 0.968 94 R CB -0.178 30.118 30.300 -0.006 0.000 0.861 94 R HN 0.314 nan 8.270 nan 0.000 0.440 95 E N 0.699 120.902 120.200 0.005 0.000 2.072 95 E HA -0.120 4.230 4.350 -0.000 0.000 0.191 95 E C 1.886 178.393 176.600 -0.155 0.000 0.985 95 E CA 1.011 57.401 56.400 -0.016 0.000 0.801 95 E CB -0.146 29.628 29.700 0.123 0.000 0.750 95 E HN 0.308 nan 8.360 nan 0.000 0.452 96 I N 1.055 121.512 120.570 -0.187 0.000 2.252 96 I HA -0.235 3.934 4.170 -0.000 0.000 0.245 96 I C 1.504 177.530 176.117 -0.152 0.000 1.102 96 I CA 1.051 62.191 61.300 -0.267 0.000 1.385 96 I CB -0.169 37.724 38.000 -0.178 0.000 1.064 96 I HN 0.049 nan 8.210 nan 0.000 0.414 97 D N 0.369 120.717 120.400 -0.086 0.000 2.144 97 D HA -0.139 4.501 4.640 -0.000 0.000 0.199 97 D C 2.208 178.471 176.300 -0.063 0.000 0.984 97 D CA 1.484 55.448 54.000 -0.060 0.000 0.834 97 D CB -0.272 40.507 40.800 -0.035 0.000 0.955 97 D HN 0.255 nan 8.370 nan 0.000 0.465 98 T N 1.034 115.548 114.554 -0.065 0.000 2.777 98 T HA -0.045 4.305 4.350 -0.000 0.000 0.266 98 T C 2.221 176.881 174.700 -0.067 0.000 1.040 98 T CA 0.398 62.465 62.100 -0.055 0.000 1.141 98 T CB -0.102 68.740 68.868 -0.043 0.000 0.868 98 T HN 0.152 nan 8.240 nan 0.000 0.444 99 I N 0.823 121.330 120.570 -0.105 0.000 2.208 99 I HA -0.209 3.961 4.170 -0.000 0.000 0.245 99 I C 2.500 178.568 176.117 -0.082 0.000 1.097 99 I CA 1.430 62.664 61.300 -0.111 0.000 1.363 99 I CB -0.317 37.564 38.000 -0.198 0.000 1.051 99 I HN 0.280 nan 8.210 nan 0.000 0.413 100 M N -0.128 119.423 119.600 -0.083 0.000 2.175 100 M HA -0.176 4.304 4.480 -0.000 0.000 0.264 100 M C 2.358 178.633 176.300 -0.042 0.000 1.063 100 M CA 1.812 57.077 55.300 -0.059 0.000 1.119 100 M CB -0.333 32.233 32.600 -0.056 0.000 1.377 100 M HN 0.194 nan 8.290 nan 0.000 0.415 101 I N 0.250 120.795 120.570 -0.041 0.000 2.179 101 I HA -0.278 3.892 4.170 -0.000 0.000 0.242 101 I C 2.159 178.260 176.117 -0.027 0.000 1.088 101 I CA 1.519 62.800 61.300 -0.031 0.000 1.357 101 I CB -0.370 37.612 38.000 -0.030 0.000 1.051 101 I HN 0.340 nan 8.210 nan 0.000 0.409 102 E N 0.297 120.479 120.200 -0.030 0.000 2.152 102 E HA -0.205 4.145 4.350 -0.000 0.000 0.192 102 E C 2.068 178.655 176.600 -0.021 0.000 0.983 102 E CA 0.762 57.148 56.400 -0.023 0.000 0.818 102 E CB -0.061 29.625 29.700 -0.023 0.000 0.758 102 E HN 0.288 nan 8.360 nan 0.000 0.467 103 L N 1.931 123.139 121.223 -0.026 0.000 2.056 103 L HA -0.181 4.159 4.340 -0.000 0.000 0.207 103 L C 2.019 178.878 176.870 -0.017 0.000 1.078 103 L CA 1.867 56.694 54.840 -0.022 0.000 0.749 103 L CB -0.385 41.657 42.059 -0.028 0.000 0.901 103 L HN 0.087 nan 8.230 nan 0.000 0.433 104 D N -0.882 119.506 120.400 -0.019 0.000 2.097 104 D HA -0.157 4.483 4.640 -0.000 0.000 0.195 104 D C 1.716 178.009 176.300 -0.011 0.000 0.989 104 D CA 1.649 55.641 54.000 -0.015 0.000 0.827 104 D CB 0.074 40.864 40.800 -0.016 0.000 0.966 104 D HN 0.515 nan 8.370 nan 0.000 0.456 105 G N 0.174 108.967 108.800 -0.012 0.000 2.205 105 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.261 105 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.261 105 G C 0.612 175.508 174.900 -0.007 0.000 0.980 105 G CA 1.205 46.299 45.100 -0.010 0.000 0.632 105 G HN 0.764 nan 8.290 nan 0.000 0.533 106 T N -2.156 112.394 114.554 -0.006 0.000 2.929 106 T HA 0.686 5.036 4.350 -0.000 0.000 0.284 106 T C -1.066 173.633 174.700 -0.002 0.000 1.014 106 T CA -1.088 61.011 62.100 -0.003 0.000 1.051 106 T CB 2.590 71.457 68.868 -0.002 0.000 1.028 106 T HN -0.098 nan 8.240 nan 0.000 0.485 107 P HA 0.009 nan 4.420 nan 0.000 0.222 107 P C 0.632 177.937 177.300 0.008 0.000 1.147 107 P CA 0.717 63.820 63.100 0.005 0.000 0.790 107 P CB -0.000 31.706 31.700 0.011 0.000 0.780 108 N N -1.737 116.968 118.700 0.009 0.000 2.351 108 N HA 0.082 4.822 4.740 -0.000 0.000 0.254 108 N C -0.205 175.307 175.510 0.003 0.000 1.241 108 N CA -0.455 52.601 53.050 0.011 0.000 0.883 108 N CB -0.411 38.087 38.487 0.018 0.000 1.202 108 N HN -0.115 nan 8.380 nan 0.000 0.512 109 K N -0.293 120.106 120.400 -0.002 0.000 3.020 109 K HA -0.212 4.108 4.320 -0.000 0.000 0.266 109 K C 0.499 177.095 176.600 -0.006 0.000 1.067 109 K CA 0.984 57.267 56.287 -0.007 0.000 0.780 109 K CB -1.993 30.501 32.500 -0.009 0.000 1.220 109 K HN 0.566 nan 8.250 nan 0.000 0.483 110 S N -0.591 115.106 115.700 -0.004 0.000 2.561 110 S HA -0.075 4.394 4.470 -0.000 0.000 0.225 110 S C 1.689 176.286 174.600 -0.005 0.000 0.977 110 S CA 0.619 58.817 58.200 -0.004 0.000 0.926 110 S CB 0.212 63.411 63.200 -0.002 0.000 0.769 110 S HN 0.469 nan 8.310 nan 0.000 0.533 111 R N 0.884 121.380 120.500 -0.006 0.000 2.052 111 R HA 0.288 4.628 4.340 -0.000 0.000 0.224 111 R C 2.006 178.301 176.300 -0.008 0.000 1.149 111 R CA 0.938 57.034 56.100 -0.006 0.000 0.962 111 R CB -0.226 30.070 30.300 -0.006 0.000 0.856 111 R HN 0.412 nan 8.270 nan 0.000 0.433 112 L N -0.452 120.765 121.223 -0.010 0.000 2.307 112 L HA 0.283 4.623 4.340 -0.000 0.000 0.211 112 L C 0.532 177.395 176.870 -0.013 0.000 1.099 112 L CA 0.388 55.221 54.840 -0.012 0.000 0.816 112 L CB 0.118 42.169 42.059 -0.014 0.000 0.952 112 L HN 0.519 nan 8.230 nan 0.000 0.455 113 G N -0.632 108.160 108.800 -0.013 0.000 3.225 113 G HA2 -0.005 3.954 3.960 -0.000 0.000 0.686 113 G HA3 -0.005 3.954 3.960 -0.000 0.000 0.686 113 G C 0.430 175.320 174.900 -0.016 0.000 1.105 113 G CA -0.368 44.723 45.100 -0.014 0.000 0.831 113 G HN 0.127 nan 8.290 nan 0.000 0.578 114 A N 2.156 124.968 122.820 -0.014 0.000 2.019 114 A HA -0.056 4.263 4.320 -0.000 0.000 0.219 114 A C 2.311 179.884 177.584 -0.018 0.000 1.164 114 A CA 2.254 54.282 52.037 -0.014 0.000 0.644 114 A CB -0.390 18.604 19.000 -0.011 0.000 0.805 114 A HN 1.521 nan 8.150 nan 0.000 0.449 115 N N 1.040 119.727 118.700 -0.021 0.000 2.216 115 N HA -0.010 4.730 4.740 -0.000 0.000 0.183 115 N C 1.608 177.103 175.510 -0.025 0.000 1.017 115 N CA 1.729 54.764 53.050 -0.025 0.000 0.861 115 N CB -0.880 37.588 38.487 -0.032 0.000 0.986 115 N HN 0.349 nan 8.380 nan 0.000 0.428 116 A N 1.457 124.263 122.820 -0.024 0.000 1.873 116 A HA 0.092 4.411 4.320 -0.000 0.000 0.215 116 A C 2.416 179.986 177.584 -0.023 0.000 1.186 116 A CA 0.907 52.931 52.037 -0.023 0.000 0.616 116 A CB -0.720 18.267 19.000 -0.020 0.000 0.823 116 A HN 0.250 nan 8.150 nan 0.000 0.442 117 I N -0.773 119.783 120.570 -0.023 0.000 2.179 117 I HA -0.225 3.945 4.170 -0.000 0.000 0.242 117 I C 2.460 178.563 176.117 -0.024 0.000 1.088 117 I CA 1.327 62.612 61.300 -0.025 0.000 1.357 117 I CB -0.278 37.708 38.000 -0.024 0.000 1.051 117 I HN 0.394 nan 8.210 nan 0.000 0.409 118 L N 1.212 122.422 121.223 -0.021 0.000 2.093 118 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 118 L C 2.560 179.418 176.870 -0.020 0.000 1.085 118 L CA 1.998 56.827 54.840 -0.018 0.000 0.755 118 L CB -0.739 41.311 42.059 -0.015 0.000 0.904 118 L HN 0.172 nan 8.230 nan 0.000 0.435 119 A N -0.998 121.808 122.820 -0.024 0.000 1.908 119 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 119 A C 2.251 179.816 177.584 -0.032 0.000 1.181 119 A CA 2.212 54.232 52.037 -0.028 0.000 0.627 119 A CB -1.145 17.837 19.000 -0.029 0.000 0.818 119 A HN 0.314 nan 8.150 nan 0.000 0.445 120 V N -0.672 119.224 119.914 -0.030 0.000 2.358 120 V HA -0.196 3.924 4.120 -0.000 0.000 0.246 120 V C 2.771 178.848 176.094 -0.028 0.000 1.047 120 V CA 2.202 64.483 62.300 -0.032 0.000 1.035 120 V CB -0.826 30.978 31.823 -0.031 0.000 0.658 120 V HN 0.654 nan 8.190 nan 0.000 0.452 121 S N -0.243 115.443 115.700 -0.023 0.000 2.365 121 S HA -0.187 4.283 4.470 -0.000 0.000 0.225 121 S C 1.920 176.519 174.600 -0.003 0.000 1.039 121 S CA 1.927 60.120 58.200 -0.013 0.000 1.033 121 S CB -0.320 62.873 63.200 -0.012 0.000 0.887 121 S HN 0.501 nan 8.310 nan 0.000 0.447 122 L N 0.791 122.008 121.223 -0.009 0.000 2.027 122 L HA -0.007 4.332 4.340 -0.000 0.000 0.206 122 L C 2.961 179.815 176.870 -0.026 0.000 1.074 122 L CA 1.173 56.010 54.840 -0.006 0.000 0.745 122 L CB -0.771 41.282 42.059 -0.010 0.000 0.898 122 L HN 0.393 nan 8.230 nan 0.000 0.433 123 A N -0.220 122.570 122.820 -0.050 0.000 1.933 123 A HA -0.138 4.181 4.320 -0.000 0.000 0.218 123 A C 2.352 179.883 177.584 -0.087 0.000 1.175 123 A CA 1.645 53.626 52.037 -0.094 0.000 0.628 123 A CB -0.770 18.165 19.000 -0.108 0.000 0.814 123 A HN 0.195 nan 8.150 nan 0.000 0.444 124 V N -0.210 119.677 119.914 -0.045 0.000 2.295 124 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 124 V C 3.065 179.152 176.094 -0.013 0.000 1.049 124 V CA 1.934 64.222 62.300 -0.020 0.000 1.024 124 V CB -1.200 30.628 31.823 0.009 0.000 0.648 124 V HN 0.620 nan 8.190 nan 0.000 0.447 125 A N -0.202 122.629 122.820 0.017 0.000 1.902 125 A HA -0.250 4.069 4.320 -0.000 0.000 0.217 125 A C 2.281 179.811 177.584 -0.090 0.000 1.181 125 A CA 2.032 54.105 52.037 0.059 0.000 0.623 125 A CB -0.439 18.649 19.000 0.147 0.000 0.818 125 A HN 0.561 nan 8.150 nan 0.000 0.443 126 K N -0.348 120.006 120.400 -0.077 0.000 2.057 126 K HA -0.046 4.273 4.320 -0.000 0.000 0.207 126 K C 2.293 178.798 176.600 -0.158 0.000 1.049 126 K CA 1.107 57.327 56.287 -0.112 0.000 0.931 126 K CB -0.323 32.118 32.500 -0.099 0.000 0.714 126 K HN 0.441 nan 8.250 nan 0.000 0.440 127 A N 1.597 124.327 122.820 -0.149 0.000 1.930 127 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 127 A C 2.378 179.890 177.584 -0.120 0.000 1.175 127 A CA 1.705 53.668 52.037 -0.124 0.000 0.627 127 A CB -0.579 18.362 19.000 -0.097 0.000 0.815 127 A HN 0.323 nan 8.150 nan 0.000 0.443 128 A N -0.023 122.705 122.820 -0.153 0.000 1.873 128 A HA 0.179 4.498 4.320 -0.000 0.000 0.215 128 A C 2.523 179.887 177.584 -0.366 0.000 1.186 128 A CA 2.050 54.003 52.037 -0.142 0.000 0.616 128 A CB -1.074 17.817 19.000 -0.183 0.000 0.823 128 A HN 1.033 nan 8.150 nan 0.000 0.442 129 A N -0.070 122.312 122.820 -0.730 0.000 1.908 129 A HA 0.121 4.441 4.320 -0.000 0.000 0.218 129 A C 2.512 179.979 177.584 -0.195 0.000 1.181 129 A CA 2.248 53.940 52.037 -0.575 0.000 0.627 129 A CB -1.072 17.686 19.000 -0.404 0.000 0.818 129 A HN 1.106 nan 8.150 nan 0.000 0.445 130 A N -1.119 121.610 122.820 -0.152 0.000 1.933 130 A HA -0.080 4.240 4.320 -0.000 0.000 0.218 130 A C 2.282 179.815 177.584 -0.084 0.000 1.175 130 A CA 2.281 54.271 52.037 -0.077 0.000 0.628 130 A CB -1.170 17.804 19.000 -0.042 0.000 0.814 130 A HN 0.445 nan 8.150 nan 0.000 0.444 131 T N 0.061 114.538 114.554 -0.129 0.000 2.821 131 T HA 0.068 4.418 4.350 -0.000 0.000 0.267 131 T C 2.108 176.691 174.700 -0.195 0.000 1.046 131 T CA 1.345 63.289 62.100 -0.260 0.000 1.139 131 T CB -0.297 68.251 68.868 -0.533 0.000 0.871 131 T HN 0.564 nan 8.240 nan 0.000 0.454 132 A N 0.448 123.301 122.820 0.054 0.000 2.119 132 A HA 0.222 4.542 4.320 -0.000 0.000 0.216 132 A C 1.214 178.858 177.584 0.100 0.000 1.152 132 A CA 0.934 53.106 52.037 0.225 0.000 0.708 132 A CB -0.291 18.915 19.000 0.344 0.000 0.805 132 A HN 0.353 nan 8.150 nan 0.000 0.460 133 K N -1.274 119.143 120.400 0.029 0.000 3.161 133 K HA -0.110 4.209 4.320 -0.000 0.000 0.270 133 K C -0.865 175.754 176.600 0.031 0.000 1.115 133 K CA 0.498 56.795 56.287 0.017 0.000 0.789 133 K CB -1.837 30.674 32.500 0.019 0.000 1.256 133 K HN 0.340 nan 8.250 nan 0.000 0.492 134 I N 1.091 121.681 120.570 0.033 0.000 2.433 134 I HA 0.338 4.508 4.170 -0.000 0.000 0.292 134 I C -1.924 174.169 176.117 -0.041 0.000 1.001 134 I CA -2.549 58.772 61.300 0.034 0.000 1.119 134 I CB 1.428 39.505 38.000 0.129 0.000 1.289 134 I HN -0.076 nan 8.210 nan 0.000 0.438 135 P HA -0.021 nan 4.420 nan 0.000 0.264 135 P C 0.982 178.072 177.300 -0.349 0.000 1.183 135 P CA -0.151 62.752 63.100 -0.329 0.000 0.763 135 P CB 0.704 32.013 31.700 -0.652 0.000 0.807 136 L N 5.285 126.391 121.223 -0.196 0.000 1.997 136 L HA -0.260 4.080 4.340 -0.000 0.000 0.216 136 L C 2.094 178.975 176.870 0.018 0.000 1.074 136 L CA 2.082 56.909 54.840 -0.022 0.000 0.763 136 L CB -1.685 40.409 42.059 0.058 0.000 0.890 136 L HN 0.520 nan 8.230 nan 0.000 0.434 137 Y N -1.829 118.543 120.300 0.120 0.000 2.274 137 Y HA -0.106 4.444 4.550 -0.000 0.000 0.290 137 Y C 2.151 178.114 175.900 0.105 0.000 1.145 137 Y CA 1.109 59.270 58.100 0.101 0.000 1.203 137 Y CB -1.063 37.444 38.460 0.079 0.000 0.984 137 Y HN 0.031 nan 8.280 nan 0.000 0.533 138 K N 0.053 120.327 120.400 -0.211 0.000 2.103 138 K HA -0.143 4.177 4.320 -0.000 0.000 0.204 138 K C 1.970 178.596 176.600 0.043 0.000 1.052 138 K CA 1.334 57.609 56.287 -0.021 0.000 0.945 138 K CB -0.818 31.630 32.500 -0.087 0.000 0.722 138 K HN 0.537 nan 8.250 nan 0.000 0.443 139 Y N 1.542 121.809 120.300 -0.055 0.000 2.263 139 Y HA -0.065 4.485 4.550 -0.000 0.000 0.292 139 Y C 1.895 177.806 175.900 0.018 0.000 1.130 139 Y CA 1.072 59.169 58.100 -0.004 0.000 1.179 139 Y CB -0.100 38.356 38.460 -0.006 0.000 0.998 139 Y HN -0.116 nan 8.280 nan 0.000 0.532 140 L N -1.178 120.063 121.223 0.029 0.000 2.095 140 L HA -0.001 4.339 4.340 -0.000 0.000 0.204 140 L C 2.293 179.133 176.870 -0.050 0.000 1.080 140 L CA 1.354 56.185 54.840 -0.015 0.000 0.759 140 L CB -0.663 41.462 42.059 0.110 0.000 0.914 140 L HN 0.341 nan 8.230 nan 0.000 0.439 141 G N -1.281 107.522 108.800 0.005 0.000 3.192 141 G HA2 0.459 4.419 3.960 -0.000 0.000 0.239 141 G HA3 0.459 4.419 3.960 -0.000 0.000 0.239 141 G C 0.609 175.485 174.900 -0.039 0.000 1.084 141 G CA 0.412 45.510 45.100 -0.003 0.000 0.784 141 G HN 0.509 nan 8.290 nan 0.000 0.540 142 G N -0.227 108.551 108.800 -0.037 0.000 2.710 142 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.668 142 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.668 142 G C 0.531 175.442 174.900 0.017 0.000 1.320 142 G CA -0.012 45.076 45.100 -0.019 0.000 0.860 142 G HN 0.939 nan 8.290 nan 0.000 0.538 143 F N 0.279 120.269 119.950 0.067 0.000 2.202 143 F HA 0.047 4.574 4.527 -0.000 0.000 0.301 143 F C 1.394 177.282 175.800 0.146 0.000 1.082 143 F CA 1.441 59.496 58.000 0.092 0.000 1.313 143 F CB -0.241 38.796 39.000 0.061 0.000 1.024 143 F HN 0.365 nan 8.300 nan 0.000 0.495 144 N N 0.855 118.954 118.700 -1.002 0.000 2.843 144 N HA 0.103 4.843 4.740 -0.000 0.000 0.284 144 N C -1.320 174.232 175.510 0.070 0.000 1.274 144 N CA -0.058 52.673 53.050 -0.532 0.000 1.045 144 N CB -0.344 37.670 38.487 -0.787 0.000 1.370 144 N HN 0.175 nan 8.380 nan 0.000 0.525 145 S N 1.081 116.891 115.700 0.183 0.000 2.520 145 S HA 0.234 4.703 4.470 -0.000 0.000 0.324 145 S C -0.480 174.293 174.600 0.289 0.000 1.069 145 S CA -0.592 57.730 58.200 0.204 0.000 1.121 145 S CB 0.199 63.549 63.200 0.250 0.000 0.971 145 S HN 0.559 nan 8.310 nan 0.000 0.463 146 Y N 0.037 120.339 120.300 0.003 0.000 2.861 146 Y HA 0.438 4.988 4.550 -0.000 0.000 0.284 146 Y C -0.689 175.165 175.900 -0.077 0.000 1.006 146 Y CA -0.575 57.505 58.100 -0.033 0.000 1.245 146 Y CB -0.502 37.958 38.460 0.000 0.000 1.415 146 Y HN 0.257 nan 8.280 nan 0.000 0.586 147 V N 4.684 124.219 119.914 -0.631 0.000 2.385 147 V HA 0.268 4.388 4.120 -0.000 0.000 0.269 147 V C 0.151 176.109 176.094 -0.227 0.000 1.043 147 V CA -0.431 61.565 62.300 -0.507 0.000 0.906 147 V CB 0.821 32.252 31.823 -0.652 0.000 0.995 147 V HN 0.209 nan 8.190 nan 0.000 0.467 148 M N 8.531 128.068 119.600 -0.105 0.000 2.185 148 M HA 0.369 4.849 4.480 -0.000 0.000 0.357 148 M C -2.260 174.040 176.300 -0.001 0.000 1.260 148 M CA -3.060 52.243 55.300 0.005 0.000 1.124 148 M CB 0.710 33.389 32.600 0.132 0.000 1.600 148 M HN 0.312 nan 8.290 nan 0.000 0.467 149 P HA 0.222 nan 4.420 nan 0.000 0.277 149 P C -0.610 176.713 177.300 0.038 0.000 1.240 149 P CA -0.421 62.673 63.100 -0.010 0.000 0.798 149 P CB 0.939 32.650 31.700 0.019 0.000 0.979 150 V N 5.085 124.954 119.914 -0.076 0.000 2.488 150 V HA 0.195 4.315 4.120 -0.000 0.000 0.277 150 V C -1.635 174.469 176.094 0.016 0.000 1.046 150 V CA -1.442 60.839 62.300 -0.031 0.000 0.986 150 V CB 0.704 32.430 31.823 -0.160 0.000 0.989 150 V HN 0.605 nan 8.190 nan 0.000 0.475 151 P HA 0.334 nan 4.420 nan 0.000 0.290 151 P C -0.929 176.372 177.300 0.003 0.000 1.276 151 P CA -0.556 62.589 63.100 0.075 0.000 0.808 151 P CB 1.049 32.851 31.700 0.171 0.000 0.966 152 M N 4.050 123.639 119.600 -0.018 0.000 2.069 152 M HA 0.364 4.844 4.480 -0.000 0.000 0.349 152 M C 0.202 176.504 176.300 0.002 0.000 1.194 152 M CA -0.026 55.252 55.300 -0.037 0.000 1.081 152 M CB 0.640 33.200 32.600 -0.067 0.000 1.500 152 M HN 0.169 nan 8.290 nan 0.000 0.438 153 M N 2.858 122.471 119.600 0.023 0.000 2.061 153 M HA 0.237 4.717 4.480 -0.000 0.000 0.346 153 M C 0.068 176.403 176.300 0.059 0.000 1.112 153 M CA -0.576 54.748 55.300 0.040 0.000 1.021 153 M CB 0.732 33.333 32.600 0.001 0.000 1.530 153 M HN 0.443 nan 8.290 nan 0.000 0.437 154 N N 3.522 122.262 118.700 0.067 0.000 2.549 154 N HA 0.105 4.845 4.740 -0.000 0.000 0.267 154 N C 0.521 176.087 175.510 0.094 0.000 1.182 154 N CA -0.242 52.861 53.050 0.088 0.000 1.019 154 N CB 0.580 39.128 38.487 0.102 0.000 1.380 154 N HN 0.605 nan 8.380 nan 0.000 0.505 155 V N 1.035 121.024 119.914 0.126 0.000 3.471 155 V HA 0.398 4.518 4.120 -0.000 0.000 0.258 155 V C 0.705 176.897 176.094 0.163 0.000 1.192 155 V CA 0.536 62.935 62.300 0.165 0.000 1.116 155 V CB -0.283 31.689 31.823 0.249 0.000 0.792 155 V HN 0.359 nan 8.190 nan 0.000 0.459 156 I N 1.927 122.598 120.570 0.167 0.000 2.468 156 I HA 0.425 4.595 4.170 -0.000 0.000 0.285 156 I C -0.911 175.344 176.117 0.230 0.000 1.039 156 I CA -0.380 61.012 61.300 0.154 0.000 1.074 156 I CB 1.762 39.779 38.000 0.029 0.000 1.228 156 I HN 0.229 nan 8.210 nan 0.000 0.436 157 N N 3.481 122.283 118.700 0.170 0.000 2.509 157 N HA 0.733 5.472 4.740 -0.000 0.000 0.287 157 N C -0.053 175.571 175.510 0.190 0.000 1.121 157 N CA -0.494 52.662 53.050 0.177 0.000 0.977 157 N CB 2.022 40.578 38.487 0.115 0.000 1.167 157 N HN 0.705 nan 8.380 nan 0.000 0.476 158 G N -0.906 108.022 108.800 0.213 0.000 2.921 158 G HA2 0.803 4.763 3.960 -0.000 0.000 0.291 158 G HA3 0.803 4.763 3.960 -0.000 0.000 0.291 158 G C -0.633 174.355 174.900 0.145 0.000 1.370 158 G CA -0.395 44.825 45.100 0.201 0.000 0.847 158 G HN 0.788 nan 8.290 nan 0.000 0.532 159 G N -1.235 107.641 108.800 0.127 0.000 2.612 159 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.686 159 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.686 159 G C 0.476 175.396 174.900 0.033 0.000 1.274 159 G CA 0.159 45.317 45.100 0.097 0.000 0.849 159 G HN 0.766 nan 8.290 nan 0.000 0.595 160 K N -0.536 119.831 120.400 -0.054 0.000 2.360 160 K HA -0.079 4.240 4.320 -0.000 0.000 0.201 160 K C 1.450 177.948 176.600 -0.171 0.000 1.046 160 K CA 1.726 57.918 56.287 -0.158 0.000 0.940 160 K CB -0.029 32.299 32.500 -0.286 0.000 0.748 160 K HN 0.670 nan 8.250 nan 0.000 0.465 161 H N -1.520 117.579 119.070 0.048 0.000 2.755 161 H HA 0.245 4.800 4.556 -0.000 0.000 0.273 161 H C 1.614 176.964 175.328 0.036 0.000 1.055 161 H CA 0.000 56.069 56.048 0.035 0.000 1.191 161 H CB 0.752 30.532 29.762 0.030 0.000 1.536 161 H HN 0.164 nan 8.280 nan 0.000 0.529 162 A N 0.351 123.252 122.820 0.136 0.000 1.968 162 A HA 0.165 4.484 4.320 -0.000 0.000 0.217 162 A C 2.207 179.836 177.584 0.075 0.000 1.169 162 A CA 1.528 53.626 52.037 0.101 0.000 0.638 162 A CB -0.357 18.699 19.000 0.093 0.000 0.812 162 A HN 0.548 nan 8.150 nan 0.000 0.446 163 G N -1.071 107.767 108.800 0.063 0.000 2.352 163 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.204 163 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.204 163 G C 0.213 175.120 174.900 0.012 0.000 1.004 163 G CA 0.524 45.647 45.100 0.039 0.000 0.648 163 G HN 0.991 nan 8.290 nan 0.000 0.491 164 N N 0.480 119.182 118.700 0.004 0.000 2.717 164 N HA 0.586 5.326 4.740 -0.000 0.000 0.314 164 N C -0.121 175.381 175.510 -0.012 0.000 1.324 164 N CA -0.103 52.931 53.050 -0.025 0.000 0.902 164 N CB 0.333 38.786 38.487 -0.057 0.000 1.126 164 N HN -0.125 nan 8.380 nan 0.000 0.579 165 D N -0.901 119.483 120.400 -0.026 0.000 2.424 165 D HA 0.237 4.877 4.640 -0.000 0.000 0.220 165 D C -0.331 175.966 176.300 -0.005 0.000 1.150 165 D CA -0.091 53.900 54.000 -0.015 0.000 0.831 165 D CB -0.166 40.619 40.800 -0.024 0.000 0.981 165 D HN 0.333 nan 8.370 nan 0.000 0.500 166 L N 1.189 122.419 121.223 0.012 0.000 2.410 166 L HA 0.095 4.435 4.340 -0.000 0.000 0.273 166 L C 1.375 178.294 176.870 0.082 0.000 1.152 166 L CA -0.140 54.736 54.840 0.059 0.000 0.855 166 L CB 1.116 43.238 42.059 0.106 0.000 1.129 166 L HN -0.172 nan 8.230 nan 0.000 0.463 167 D N 2.518 122.945 120.400 0.045 0.000 2.162 167 D HA 0.043 4.683 4.640 -0.000 0.000 0.205 167 D C 0.797 177.149 176.300 0.086 0.000 0.964 167 D CA 0.811 54.786 54.000 -0.041 0.000 0.847 167 D CB 0.282 40.874 40.800 -0.346 0.000 0.988 167 D HN 0.322 nan 8.370 nan 0.000 0.480 168 L N 1.611 122.921 121.223 0.144 0.000 2.439 168 L HA 0.061 4.401 4.340 -0.000 0.000 0.269 168 L C 1.824 178.771 176.870 0.128 0.000 1.179 168 L CA 0.051 54.978 54.840 0.145 0.000 0.828 168 L CB 1.041 43.063 42.059 -0.061 0.000 1.106 168 L HN -0.039 nan 8.230 nan 0.000 0.467 169 Q N 1.474 121.316 119.800 0.071 0.000 2.062 169 Q HA -0.010 4.330 4.340 -0.000 0.000 0.196 169 Q C -0.304 175.716 176.000 0.033 0.000 0.967 169 Q CA 1.121 56.966 55.803 0.070 0.000 0.832 169 Q CB 0.498 29.274 28.738 0.062 0.000 0.899 169 Q HN 0.643 nan 8.270 nan 0.000 0.442 170 E N -0.501 119.630 120.200 -0.115 0.000 2.256 170 E HA 0.314 4.664 4.350 -0.000 0.000 0.268 170 E C -1.617 174.793 176.600 -0.317 0.000 0.877 170 E CA -0.445 55.904 56.400 -0.085 0.000 0.757 170 E CB 1.623 31.310 29.700 -0.022 0.000 1.183 170 E HN 0.031 nan 8.360 nan 0.000 0.418 171 F N 2.816 122.761 119.950 -0.008 0.000 2.382 171 F HA 0.419 4.945 4.527 -0.000 0.000 0.361 171 F C -0.001 175.775 175.800 -0.041 0.000 1.109 171 F CA -0.493 57.472 58.000 -0.059 0.000 1.031 171 F CB 0.861 39.795 39.000 -0.110 0.000 1.234 171 F HN 0.203 nan 8.300 nan 0.000 0.445 172 M N 4.970 124.612 119.600 0.070 0.000 2.578 172 M HA 0.628 5.108 4.480 -0.000 0.000 0.321 172 M C -0.485 175.900 176.300 0.142 0.000 1.182 172 M CA -0.952 54.397 55.300 0.082 0.000 0.965 172 M CB 2.568 35.190 32.600 0.036 0.000 1.694 172 M HN 0.440 nan 8.290 nan 0.000 0.461 173 I N -0.457 120.204 120.570 0.152 0.000 2.493 173 I HA 0.635 4.804 4.170 -0.000 0.000 0.298 173 I C -1.292 174.885 176.117 0.101 0.000 0.998 173 I CA -0.755 60.683 61.300 0.230 0.000 1.137 173 I CB 1.651 39.786 38.000 0.226 0.000 1.310 173 I HN 0.716 nan 8.210 nan 0.000 0.445 174 M N 7.191 126.830 119.600 0.066 0.000 2.093 174 M HA 0.365 4.845 4.480 -0.000 0.000 0.297 174 M C -2.487 173.799 176.300 -0.024 0.000 0.938 174 M CA -1.468 53.812 55.300 -0.034 0.000 0.920 174 M CB 2.378 34.888 32.600 -0.150 0.000 1.517 174 M HN 0.392 nan 8.290 nan 0.000 0.427 175 P HA 0.031 nan 4.420 nan 0.000 0.226 175 P C 0.908 178.263 177.300 0.092 0.000 1.783 175 P CA -0.034 63.062 63.100 -0.007 0.000 0.980 175 P CB -0.456 31.201 31.700 -0.072 0.000 1.967 176 V N -0.809 119.142 119.914 0.061 0.000 2.720 176 V HA -0.041 4.079 4.120 -0.000 0.000 0.256 176 V C 2.088 178.275 176.094 0.156 0.000 1.082 176 V CA 2.022 64.386 62.300 0.107 0.000 1.101 176 V CB -1.778 30.100 31.823 0.091 0.000 0.693 176 V HN 0.273 nan 8.190 nan 0.000 0.479 177 G N -0.223 108.638 108.800 0.102 0.000 2.920 177 G HA2 0.410 4.370 3.960 -0.000 0.000 0.208 177 G HA3 0.410 4.370 3.960 -0.000 0.000 0.208 177 G C 0.727 175.674 174.900 0.078 0.000 1.159 177 G CA 0.409 45.562 45.100 0.087 0.000 0.784 177 G HN 0.949 nan 8.290 nan 0.000 0.535 178 A N 0.132 122.997 122.820 0.074 0.000 2.386 178 A HA 0.493 4.813 4.320 -0.000 0.000 0.246 178 A C 1.543 179.098 177.584 -0.048 0.000 1.089 178 A CA 0.768 52.750 52.037 -0.093 0.000 0.790 178 A CB 0.367 19.178 19.000 -0.315 0.000 1.042 178 A HN 0.433 nan 8.150 nan 0.000 0.497 179 T N -2.247 112.217 114.554 -0.151 0.000 3.054 179 T HA 0.430 4.780 4.350 -0.000 0.000 0.255 179 T C 0.305 174.909 174.700 -0.159 0.000 1.035 179 T CA 0.529 62.598 62.100 -0.051 0.000 0.941 179 T CB -0.766 68.091 68.868 -0.018 0.000 1.026 179 T HN 1.642 nan 8.240 nan 0.000 0.533 180 S N -0.582 114.805 115.700 -0.520 0.000 2.587 180 S HA 0.538 5.008 4.470 -0.000 0.000 0.269 180 S C 0.242 174.371 174.600 -0.785 0.000 1.154 180 S CA -0.916 57.003 58.200 -0.468 0.000 0.824 180 S CB 0.755 63.833 63.200 -0.204 0.000 1.118 180 S HN -0.115 nan 8.310 nan 0.000 0.462 181 I N 1.721 122.050 120.570 -0.401 0.000 2.394 181 I HA -0.070 4.100 4.170 -0.000 0.000 0.251 181 I C 2.270 178.263 176.117 -0.207 0.000 1.136 181 I CA 1.408 62.562 61.300 -0.243 0.000 1.425 181 I CB -1.253 36.749 38.000 0.004 0.000 1.079 181 I HN 0.820 nan 8.210 nan 0.000 0.425 182 S N 0.238 115.838 115.700 -0.167 0.000 2.359 182 S HA -0.254 4.216 4.470 -0.000 0.000 0.224 182 S C 1.878 176.382 174.600 -0.160 0.000 1.035 182 S CA 1.701 59.828 58.200 -0.121 0.000 1.018 182 S CB -0.227 62.922 63.200 -0.085 0.000 0.876 182 S HN 0.524 nan 8.310 nan 0.000 0.448 183 E N 1.049 121.120 120.200 -0.216 0.000 2.106 183 E HA -0.089 4.261 4.350 -0.000 0.000 0.192 183 E C 2.079 178.516 176.600 -0.271 0.000 0.984 183 E CA 0.855 57.125 56.400 -0.218 0.000 0.806 183 E CB -0.233 29.334 29.700 -0.220 0.000 0.750 183 E HN 0.462 nan 8.360 nan 0.000 0.458 184 A N 0.577 123.186 122.820 -0.352 0.000 1.902 184 A HA -0.133 4.186 4.320 -0.000 0.000 0.217 184 A C 2.394 179.833 177.584 -0.240 0.000 1.181 184 A CA 1.460 53.322 52.037 -0.293 0.000 0.623 184 A CB -0.686 18.151 19.000 -0.272 0.000 0.818 184 A HN 0.226 nan 8.150 nan 0.000 0.443 185 V N 0.059 119.833 119.914 -0.234 0.000 2.343 185 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 185 V C 2.652 178.622 176.094 -0.207 0.000 1.051 185 V CA 2.312 64.444 62.300 -0.280 0.000 1.036 185 V CB -0.828 30.867 31.823 -0.213 0.000 0.654 185 V HN 0.690 nan 8.190 nan 0.000 0.451 186 R N -0.364 120.045 120.500 -0.151 0.000 2.073 186 R HA -0.170 4.169 4.340 -0.000 0.000 0.234 186 R C 2.380 178.626 176.300 -0.089 0.000 1.134 186 R CA 2.004 58.051 56.100 -0.088 0.000 0.952 186 R CB -0.293 29.967 30.300 -0.066 0.000 0.850 186 R HN 0.390 nan 8.270 nan 0.000 0.433 187 M N -0.274 119.202 119.600 -0.208 0.000 2.080 187 M HA -0.133 4.347 4.480 -0.000 0.000 0.260 187 M C 2.306 178.525 176.300 -0.136 0.000 1.068 187 M CA 2.011 57.104 55.300 -0.345 0.000 1.109 187 M CB -0.527 31.705 32.600 -0.613 0.000 1.342 187 M HN 0.484 nan 8.290 nan 0.000 0.405 188 G N -0.997 107.718 108.800 -0.140 0.000 2.446 188 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.217 188 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.217 188 G C 1.579 176.486 174.900 0.011 0.000 1.168 188 G CA 1.295 46.345 45.100 -0.083 0.000 0.771 188 G HN 0.474 nan 8.290 nan 0.000 0.551 189 S N 0.234 115.932 115.700 -0.004 0.000 2.368 189 S HA -0.110 4.360 4.470 -0.000 0.000 0.225 189 S C 2.259 177.066 174.600 0.346 0.000 1.030 189 S CA 1.867 60.154 58.200 0.144 0.000 0.999 189 S CB -0.318 62.953 63.200 0.118 0.000 0.844 189 S HN 0.586 nan 8.310 nan 0.000 0.459 190 E N 0.067 120.418 120.200 0.251 0.000 2.051 190 E HA -0.100 4.249 4.350 -0.000 0.000 0.192 190 E C 2.165 178.944 176.600 0.300 0.000 0.991 190 E CA 1.476 58.049 56.400 0.289 0.000 0.799 190 E CB -0.242 29.634 29.700 0.293 0.000 0.748 190 E HN 0.381 nan 8.360 nan 0.000 0.449 191 V N 0.794 120.877 119.914 0.282 0.000 2.407 191 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 191 V C 2.057 178.300 176.094 0.248 0.000 1.055 191 V CA 1.816 64.271 62.300 0.258 0.000 1.049 191 V CB -0.576 31.394 31.823 0.246 0.000 0.662 191 V HN 0.312 nan 8.190 nan 0.000 0.455 192 Y N 1.039 121.411 120.300 0.120 0.000 2.165 192 Y HA -0.297 4.253 4.550 -0.000 0.000 0.286 192 Y C 2.538 178.488 175.900 0.084 0.000 1.155 192 Y CA 2.296 60.449 58.100 0.089 0.000 1.164 192 Y CB -0.404 38.035 38.460 -0.033 0.000 0.978 192 Y HN 0.410 nan 8.280 nan 0.000 0.513 193 H N -1.780 117.426 119.070 0.226 0.000 2.428 193 H HA -0.085 4.471 4.556 -0.000 0.000 0.296 193 H C 2.316 177.653 175.328 0.015 0.000 1.062 193 H CA 1.537 57.644 56.048 0.097 0.000 1.350 193 H CB -0.175 29.674 29.762 0.146 0.000 1.403 193 H HN 0.230 nan 8.280 nan 0.000 0.533 194 V N 0.484 120.486 119.914 0.147 0.000 2.358 194 V HA -0.208 3.912 4.120 -0.000 0.000 0.246 194 V C 2.320 178.409 176.094 -0.008 0.000 1.047 194 V CA 1.480 63.821 62.300 0.069 0.000 1.035 194 V CB -0.476 31.398 31.823 0.085 0.000 0.658 194 V HN 0.309 nan 8.190 nan 0.000 0.452 195 L N 0.549 121.764 121.223 -0.012 0.000 2.042 195 L HA -0.205 4.134 4.340 -0.000 0.000 0.210 195 L C 2.411 179.115 176.870 -0.276 0.000 1.076 195 L CA 2.288 57.081 54.840 -0.078 0.000 0.749 195 L CB -0.825 41.240 42.059 0.011 0.000 0.893 195 L HN 0.256 nan 8.230 nan 0.000 0.432 196 K N -0.733 119.419 120.400 -0.415 0.000 2.032 196 K HA -0.214 4.106 4.320 -0.000 0.000 0.209 196 K C 1.936 178.308 176.600 -0.379 0.000 1.048 196 K CA 1.721 57.579 56.287 -0.714 0.000 0.927 196 K CB -0.141 32.048 32.500 -0.518 0.000 0.712 196 K HN 0.436 nan 8.250 nan 0.000 0.441 197 N N 0.421 119.008 118.700 -0.188 0.000 2.188 197 N HA -0.123 4.616 4.740 -0.000 0.000 0.184 197 N C 1.801 177.236 175.510 -0.125 0.000 1.018 197 N CA 0.969 53.949 53.050 -0.117 0.000 0.858 197 N CB -0.188 38.268 38.487 -0.051 0.000 0.989 197 N HN 0.017 nan 8.380 nan 0.000 0.426 198 V N 1.690 121.529 119.914 -0.125 0.000 2.358 198 V HA -0.139 3.980 4.120 -0.000 0.000 0.246 198 V C 2.255 178.265 176.094 -0.139 0.000 1.047 198 V CA 1.073 63.305 62.300 -0.114 0.000 1.035 198 V CB -0.291 31.483 31.823 -0.082 0.000 0.658 198 V HN 0.228 nan 8.190 nan 0.000 0.452 199 I N -0.756 119.725 120.570 -0.148 0.000 2.315 199 I HA -0.240 3.930 4.170 -0.000 0.000 0.248 199 I C 2.331 178.407 176.117 -0.068 0.000 1.117 199 I CA 1.430 62.699 61.300 -0.053 0.000 1.404 199 I CB -0.231 37.660 38.000 -0.181 0.000 1.071 199 I HN 0.269 nan 8.210 nan 0.000 0.419 200 L N 0.746 121.886 121.223 -0.138 0.000 1.994 200 L HA -0.234 4.106 4.340 -0.000 0.000 0.208 200 L C 2.698 179.510 176.870 -0.096 0.000 1.071 200 L CA 1.844 56.623 54.840 -0.101 0.000 0.745 200 L CB -0.545 41.452 42.059 -0.103 0.000 0.892 200 L HN 0.353 nan 8.230 nan 0.000 0.431 201 E N -0.434 119.695 120.200 -0.118 0.000 2.268 201 E HA -0.214 4.135 4.350 -0.000 0.000 0.195 201 E C 1.865 178.355 176.600 -0.184 0.000 0.995 201 E CA 0.883 57.209 56.400 -0.123 0.000 0.836 201 E CB -0.075 29.561 29.700 -0.107 0.000 0.763 201 E HN 0.477 nan 8.360 nan 0.000 0.491 202 K N -0.297 119.926 120.400 -0.295 0.000 2.168 202 K HA 0.040 4.360 4.320 -0.000 0.000 0.201 202 K C 0.934 177.150 176.600 -0.640 0.000 1.049 202 K CA 0.743 56.699 56.287 -0.552 0.000 0.974 202 K CB 0.238 32.201 32.500 -0.895 0.000 0.792 202 K HN 0.152 nan 8.250 nan 0.000 0.463 203 Y N -0.126 120.133 120.300 -0.069 0.000 2.481 203 Y HA 0.295 4.845 4.550 -0.001 0.000 0.247 203 Y C 0.678 176.546 175.900 -0.052 0.000 1.151 203 Y CA -0.011 58.054 58.100 -0.059 0.000 1.238 203 Y CB 1.221 39.641 38.460 -0.067 0.000 1.179 203 Y HN 0.137 nan 8.280 nan 0.000 0.524 204 G N 1.136 109.957 108.800 0.034 0.000 2.612 204 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.686 204 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.686 204 G C 0.534 175.439 174.900 0.008 0.000 1.274 204 G CA -0.393 44.717 45.100 0.016 0.000 0.849 204 G HN 0.308 nan 8.290 nan 0.000 0.595 205 K N -0.454 119.946 120.400 0.000 0.000 2.360 205 K HA -0.097 4.223 4.320 -0.000 0.000 0.201 205 K C 1.456 178.062 176.600 0.009 0.000 1.046 205 K CA 1.688 57.974 56.287 -0.002 0.000 0.945 205 K CB -0.107 32.394 32.500 0.001 0.000 0.750 205 K HN 0.583 nan 8.250 nan 0.000 0.464 206 N N 0.796 119.506 118.700 0.017 0.000 2.268 206 N HA 0.051 4.791 4.740 -0.000 0.000 0.204 206 N C 0.578 176.103 175.510 0.025 0.000 1.124 206 N CA 0.369 53.433 53.050 0.022 0.000 0.838 206 N CB 0.765 39.265 38.487 0.022 0.000 0.994 206 N HN 0.282 nan 8.380 nan 0.000 0.489 207 A N 0.063 122.895 122.820 0.020 0.000 2.503 207 A HA 0.299 4.619 4.320 -0.000 0.000 0.263 207 A C 1.038 178.620 177.584 -0.004 0.000 1.258 207 A CA -0.120 51.924 52.037 0.012 0.000 0.936 207 A CB -0.041 18.976 19.000 0.028 0.000 1.070 207 A HN 0.218 nan 8.150 nan 0.000 0.522 208 V N -2.853 117.065 119.914 0.006 0.000 3.214 208 V HA 0.292 4.411 4.120 -0.000 0.000 0.330 208 V C -0.224 176.019 176.094 0.248 0.000 1.403 208 V CA -0.884 61.428 62.300 0.020 0.000 1.143 208 V CB -0.951 30.786 31.823 -0.143 0.000 1.098 208 V HN 0.291 nan 8.190 nan 0.000 0.463 209 N N 1.868 120.678 118.700 0.184 0.000 2.467 209 N HA 0.458 5.197 4.740 -0.000 0.000 0.262 209 N C -0.076 175.555 175.510 0.201 0.000 1.234 209 N CA 0.363 53.514 53.050 0.168 0.000 0.952 209 N CB 2.319 40.867 38.487 0.100 0.000 1.158 209 N HN 0.506 nan 8.380 nan 0.000 0.463 210 V N -2.155 117.833 119.914 0.124 0.000 2.881 210 V HA 0.863 4.982 4.120 -0.000 0.000 0.316 210 V C 0.813 176.927 176.094 0.034 0.000 1.070 210 V CA -0.821 61.508 62.300 0.048 0.000 0.976 210 V CB 1.108 32.913 31.823 -0.030 0.000 1.038 210 V HN 0.602 nan 8.190 nan 0.000 0.446 211 G N 0.564 109.374 108.800 0.015 0.000 2.525 211 G HA2 0.310 4.270 3.960 -0.000 0.000 0.287 211 G HA3 0.310 4.270 3.960 -0.000 0.000 0.287 211 G C 0.205 175.108 174.900 0.006 0.000 1.350 211 G CA 0.040 45.153 45.100 0.022 0.000 1.039 211 G HN 0.786 nan 8.290 nan 0.000 0.513 212 D N -0.213 120.189 120.400 0.003 0.000 2.158 212 D HA -0.099 4.541 4.640 -0.000 0.000 0.197 212 D C 1.832 178.120 176.300 -0.021 0.000 0.995 212 D CA 1.264 55.255 54.000 -0.015 0.000 0.846 212 D CB 0.172 40.954 40.800 -0.029 0.000 0.941 212 D HN 0.639 nan 8.370 nan 0.000 0.456 213 E N -0.890 119.305 120.200 -0.009 0.000 2.444 213 E HA 0.312 4.662 4.350 -0.000 0.000 0.191 213 E C 1.098 177.700 176.600 0.004 0.000 1.041 213 E CA 0.226 56.636 56.400 0.015 0.000 0.883 213 E CB 0.741 30.480 29.700 0.066 0.000 1.024 213 E HN 0.252 nan 8.360 nan 0.000 0.470 214 G N 1.195 109.977 108.800 -0.031 0.000 2.195 214 G HA2 -0.257 3.702 3.960 -0.000 0.000 0.246 214 G HA3 -0.257 3.702 3.960 -0.000 0.000 0.246 214 G C 0.585 175.394 174.900 -0.151 0.000 0.984 214 G CA -0.217 44.833 45.100 -0.083 0.000 0.633 214 G HN 0.492 nan 8.290 nan 0.000 0.525 215 G N -0.561 108.175 108.800 -0.107 0.000 2.562 215 G HA2 0.612 4.572 3.960 -0.000 0.000 0.275 215 G HA3 0.612 4.572 3.960 -0.000 0.000 0.275 215 G C -0.152 174.603 174.900 -0.242 0.000 1.196 215 G CA -0.656 44.353 45.100 -0.151 0.000 0.908 215 G HN 0.230 nan 8.290 nan 0.000 0.524 216 F N -0.560 119.443 119.950 0.089 0.000 2.380 216 F HA 0.571 5.098 4.527 -0.000 0.000 0.321 216 F C 0.803 176.606 175.800 0.004 0.000 1.103 216 F CA -0.658 57.352 58.000 0.016 0.000 1.067 216 F CB 1.985 40.954 39.000 -0.051 0.000 1.265 216 F HN 0.477 nan 8.300 nan 0.000 0.517 217 A N 2.255 125.191 122.820 0.192 0.000 3.258 217 A HA 0.438 4.758 4.320 -0.000 0.000 0.318 217 A C -2.617 174.954 177.584 -0.021 0.000 0.990 217 A CA -1.324 50.755 52.037 0.069 0.000 0.885 217 A CB -0.786 18.250 19.000 0.061 0.000 1.090 217 A HN 0.394 nan 8.150 nan 0.000 0.479 218 P HA 0.154 nan 4.420 nan 0.000 0.269 218 P C -2.674 174.408 177.300 -0.363 0.000 1.215 218 P CA -1.033 61.892 63.100 -0.291 0.000 0.780 218 P CB 0.302 31.812 31.700 -0.316 0.000 0.898 219 P HA 0.141 nan 4.420 nan 0.000 0.235 219 P C -0.352 176.746 177.300 -0.337 0.000 1.765 219 P CA 0.432 63.313 63.100 -0.364 0.000 1.034 219 P CB -0.258 31.246 31.700 -0.326 0.000 1.984 220 L N 1.587 122.656 121.223 -0.257 0.000 2.358 220 L HA 0.413 4.753 4.340 -0.000 0.000 0.268 220 L C 1.523 178.326 176.870 -0.112 0.000 1.032 220 L CA -0.737 53.992 54.840 -0.185 0.000 0.805 220 L CB 1.569 43.501 42.059 -0.212 0.000 1.253 220 L HN 0.006 nan 8.230 nan 0.000 0.452 221 K N -0.573 119.780 120.400 -0.077 0.000 2.502 221 K HA 0.155 4.474 4.320 -0.000 0.000 0.211 221 K C 0.005 176.591 176.600 -0.023 0.000 1.259 221 K CA 0.154 56.416 56.287 -0.042 0.000 0.983 221 K CB 1.274 33.758 32.500 -0.027 0.000 1.054 221 K HN 0.786 nan 8.250 nan 0.000 0.572 222 T N -2.643 111.892 114.554 -0.032 0.000 2.906 222 T HA 0.288 4.638 4.350 -0.000 0.000 0.295 222 T C 0.848 175.535 174.700 -0.023 0.000 1.061 222 T CA -0.695 61.411 62.100 0.009 0.000 1.000 222 T CB 1.985 70.869 68.868 0.027 0.000 1.103 222 T HN -0.175 nan 8.240 nan 0.000 0.486 223 S N 0.664 116.416 115.700 0.087 0.000 2.370 223 S HA -0.116 4.354 4.470 -0.000 0.000 0.226 223 S C 2.117 176.653 174.600 -0.106 0.000 1.033 223 S CA 1.155 59.414 58.200 0.098 0.000 1.011 223 S CB -0.376 62.993 63.200 0.283 0.000 0.852 223 S HN 0.707 nan 8.310 nan 0.000 0.457 224 R N 0.935 121.404 120.500 -0.051 0.000 2.105 224 R HA -0.098 4.242 4.340 -0.000 0.000 0.239 224 R C 2.341 178.582 176.300 -0.099 0.000 1.135 224 R CA 1.390 57.462 56.100 -0.045 0.000 0.967 224 R CB -0.271 30.081 30.300 0.086 0.000 0.861 224 R HN 0.535 nan 8.270 nan 0.000 0.442 225 E N 0.323 120.463 120.200 -0.100 0.000 2.051 225 E HA -0.185 4.165 4.350 -0.000 0.000 0.192 225 E C 2.076 178.548 176.600 -0.213 0.000 0.991 225 E CA 1.210 57.547 56.400 -0.106 0.000 0.799 225 E CB -0.106 29.544 29.700 -0.084 0.000 0.748 225 E HN 0.363 nan 8.360 nan 0.000 0.449 226 A N 1.090 123.675 122.820 -0.390 0.000 1.877 226 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 226 A C 2.191 179.445 177.584 -0.549 0.000 1.186 226 A CA 1.160 52.820 52.037 -0.628 0.000 0.620 226 A CB -0.685 17.472 19.000 -1.404 0.000 0.822 226 A HN 0.137 nan 8.150 nan 0.000 0.443 227 L N -0.561 120.326 121.223 -0.560 0.000 2.141 227 L HA -0.166 4.174 4.340 -0.000 0.000 0.209 227 L C 1.933 178.564 176.870 -0.398 0.000 1.094 227 L CA 1.191 55.630 54.840 -0.669 0.000 0.763 227 L CB -0.514 40.828 42.059 -1.194 0.000 0.908 227 L HN 0.288 nan 8.230 nan 0.000 0.437 228 D N -0.183 120.105 120.400 -0.187 0.000 2.144 228 D HA -0.150 4.490 4.640 -0.000 0.000 0.200 228 D C 2.059 178.357 176.300 -0.004 0.000 0.978 228 D CA 0.907 54.928 54.000 0.035 0.000 0.833 228 D CB -0.013 40.825 40.800 0.064 0.000 0.961 228 D HN 0.115 nan 8.370 nan 0.000 0.470 229 L N 0.653 121.828 121.223 -0.079 0.000 2.046 229 L HA -0.077 4.262 4.340 -0.000 0.000 0.208 229 L C 2.116 178.957 176.870 -0.049 0.000 1.077 229 L CA 1.349 56.156 54.840 -0.054 0.000 0.747 229 L CB -0.530 41.485 42.059 -0.073 0.000 0.896 229 L HN 0.016 nan 8.230 nan 0.000 0.432 230 L N -1.406 119.734 121.223 -0.139 0.000 2.056 230 L HA -0.192 4.148 4.340 -0.000 0.000 0.207 230 L C 2.324 179.260 176.870 0.110 0.000 1.078 230 L CA 1.647 56.417 54.840 -0.118 0.000 0.749 230 L CB -1.045 40.703 42.059 -0.517 0.000 0.901 230 L HN 0.272 nan 8.230 nan 0.000 0.433 231 T N -0.859 113.796 114.554 0.168 0.000 2.708 231 T HA -0.257 4.093 4.350 -0.000 0.000 0.266 231 T C 1.763 176.582 174.700 0.198 0.000 1.037 231 T CA 1.680 63.984 62.100 0.340 0.000 1.146 231 T CB -0.141 68.939 68.868 0.355 0.000 0.865 231 T HN 0.398 nan 8.240 nan 0.000 0.435 232 E N 0.675 120.947 120.200 0.120 0.000 2.077 232 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 232 E C 2.260 178.903 176.600 0.071 0.000 0.989 232 E CA 1.315 57.760 56.400 0.075 0.000 0.800 232 E CB -0.057 29.666 29.700 0.039 0.000 0.746 232 E HN 0.361 nan 8.360 nan 0.000 0.452 233 S N 0.003 115.751 115.700 0.079 0.000 2.355 233 S HA -0.111 4.359 4.470 -0.000 0.000 0.222 233 S C 2.049 176.725 174.600 0.126 0.000 1.031 233 S CA 1.034 59.285 58.200 0.084 0.000 0.993 233 S CB -0.134 63.115 63.200 0.082 0.000 0.859 233 S HN 0.152 nan 8.310 nan 0.000 0.453 234 V N 2.183 122.207 119.914 0.183 0.000 2.343 234 V HA -0.201 3.918 4.120 -0.000 0.000 0.247 234 V C 2.437 178.615 176.094 0.139 0.000 1.051 234 V CA 1.788 64.219 62.300 0.218 0.000 1.036 234 V CB -0.515 31.480 31.823 0.287 0.000 0.654 234 V HN 0.434 nan 8.190 nan 0.000 0.451 235 K N 0.195 120.660 120.400 0.109 0.000 2.002 235 K HA -0.209 4.111 4.320 -0.000 0.000 0.209 235 K C 2.250 178.856 176.600 0.009 0.000 1.048 235 K CA 1.622 57.941 56.287 0.053 0.000 0.930 235 K CB -0.142 32.392 32.500 0.056 0.000 0.714 235 K HN 0.367 nan 8.250 nan 0.000 0.438 236 K N -0.075 120.336 120.400 0.019 0.000 2.152 236 K HA -0.114 4.206 4.320 -0.000 0.000 0.206 236 K C 1.941 178.520 176.600 -0.034 0.000 1.048 236 K CA 1.198 57.482 56.287 -0.006 0.000 0.933 236 K CB -0.076 32.427 32.500 0.006 0.000 0.721 236 K HN 0.215 nan 8.250 nan 0.000 0.447 237 A N 0.307 123.116 122.820 -0.018 0.000 2.119 237 A HA 0.094 4.414 4.320 -0.000 0.000 0.217 237 A C 1.477 178.829 177.584 -0.388 0.000 1.153 237 A CA 1.084 53.076 52.037 -0.075 0.000 0.692 237 A CB -0.345 18.733 19.000 0.130 0.000 0.799 237 A HN 0.421 nan 8.150 nan 0.000 0.458 238 G N -2.753 105.869 108.800 -0.297 0.000 2.132 238 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.228 238 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.228 238 G C 0.013 174.637 174.900 -0.461 0.000 1.000 238 G CA 0.428 45.301 45.100 -0.377 0.000 0.693 238 G HN 0.504 nan 8.290 nan 0.000 0.515 239 Y N 0.363 120.684 120.300 0.035 0.000 2.734 239 Y HA 0.366 4.915 4.550 -0.000 0.000 0.278 239 Y C 1.725 177.637 175.900 0.020 0.000 1.108 239 Y CA -0.599 57.519 58.100 0.029 0.000 1.211 239 Y CB 0.051 38.532 38.460 0.036 0.000 1.182 239 Y HN 0.414 nan 8.280 nan 0.000 0.547 240 E N 0.366 120.630 120.200 0.107 0.000 2.097 240 E HA -0.215 4.135 4.350 -0.000 0.000 0.196 240 E C 0.586 177.213 176.600 0.045 0.000 1.000 240 E CA 1.708 58.148 56.400 0.066 0.000 0.804 240 E CB 0.144 29.866 29.700 0.037 0.000 0.740 240 E HN 0.512 nan 8.360 nan 0.000 0.454 241 D N -0.435 120.002 120.400 0.061 0.000 2.339 241 D HA -0.010 4.630 4.640 -0.000 0.000 0.217 241 D C 0.863 177.196 176.300 0.055 0.000 1.050 241 D CA 0.480 54.506 54.000 0.044 0.000 0.856 241 D CB 0.342 41.167 40.800 0.042 0.000 0.922 241 D HN 0.143 nan 8.370 nan 0.000 0.518 242 E N -0.551 119.702 120.200 0.088 0.000 2.485 242 E HA 0.131 4.481 4.350 -0.000 0.000 0.213 242 E C -0.014 176.598 176.600 0.021 0.000 0.923 242 E CA 0.109 56.547 56.400 0.064 0.000 1.054 242 E CB 1.458 31.205 29.700 0.078 0.000 1.077 242 E HN -0.094 nan 8.360 nan 0.000 0.509 243 V N 2.050 121.976 119.914 0.020 0.000 2.459 243 V HA 0.445 4.565 4.120 -0.000 0.000 0.295 243 V C -0.015 175.983 176.094 -0.160 0.000 1.029 243 V CA -0.891 61.398 62.300 -0.020 0.000 0.874 243 V CB 1.461 33.324 31.823 0.066 0.000 0.985 243 V HN 0.041 nan 8.190 nan 0.000 0.438 244 V N 1.594 121.401 119.914 -0.178 0.000 3.204 244 V HA 0.772 4.892 4.120 -0.000 0.000 0.316 244 V C -0.965 175.002 176.094 -0.212 0.000 1.160 244 V CA -0.847 61.241 62.300 -0.354 0.000 1.044 244 V CB 2.140 33.867 31.823 -0.161 0.000 1.136 244 V HN 0.474 nan 8.190 nan 0.000 0.455 245 F N 0.048 120.016 119.950 0.030 0.000 2.556 245 F HA 0.951 5.478 4.527 -0.000 0.000 0.327 245 F C 0.449 176.233 175.800 -0.026 0.000 1.059 245 F CA -0.892 57.118 58.000 0.017 0.000 0.953 245 F CB 1.695 40.727 39.000 0.053 0.000 1.227 245 F HN 0.951 nan 8.300 nan 0.000 0.478 246 A N 2.377 125.301 122.820 0.173 0.000 2.449 246 A HA 0.881 5.200 4.320 -0.000 0.000 0.302 246 A C -1.611 175.955 177.584 -0.030 0.000 1.048 246 A CA -0.617 51.435 52.037 0.025 0.000 0.708 246 A CB 1.389 20.363 19.000 -0.043 0.000 1.274 246 A HN 0.730 nan 8.150 nan 0.000 0.410 247 L N 1.049 122.213 121.223 -0.099 0.000 2.354 247 L HA 0.573 4.913 4.340 -0.000 0.000 0.269 247 L C -1.153 175.599 176.870 -0.196 0.000 1.005 247 L CA -0.812 53.900 54.840 -0.214 0.000 0.819 247 L CB 2.353 44.265 42.059 -0.246 0.000 1.311 247 L HN 0.751 nan 8.230 nan 0.000 0.423 248 D N 0.981 121.251 120.400 -0.217 0.000 2.420 248 D HA 0.447 5.087 4.640 -0.000 0.000 0.255 248 D C 0.400 176.623 176.300 -0.129 0.000 1.185 248 D CA -0.338 53.579 54.000 -0.139 0.000 0.904 248 D CB 2.019 42.775 40.800 -0.074 0.000 1.102 248 D HN 0.559 nan 8.370 nan 0.000 0.534 249 A N 3.473 126.228 122.820 -0.107 0.000 1.929 249 A HA 0.336 4.656 4.320 -0.000 0.000 0.216 249 A C 1.598 179.235 177.584 0.089 0.000 1.176 249 A CA 1.017 53.082 52.037 0.046 0.000 0.628 249 A CB -0.549 18.504 19.000 0.089 0.000 0.816 249 A HN 1.423 nan 8.150 nan 0.000 0.444 250 A N -1.727 121.077 122.820 -0.027 0.000 2.640 250 A HA -0.045 4.275 4.320 -0.000 0.000 0.300 250 A C 1.601 179.073 177.584 -0.187 0.000 1.499 250 A CA 1.249 53.258 52.037 -0.047 0.000 0.759 250 A CB -2.083 16.923 19.000 0.010 0.000 1.048 250 A HN 1.961 nan 8.150 nan 0.000 0.450 251 A N -0.388 122.239 122.820 -0.322 0.000 2.042 251 A HA -0.037 4.283 4.320 -0.000 0.000 0.222 251 A C 2.380 179.606 177.584 -0.596 0.000 1.167 251 A CA 2.376 53.895 52.037 -0.864 0.000 0.649 251 A CB -0.715 18.048 19.000 -0.395 0.000 0.809 251 A HN 1.403 nan 8.150 nan 0.000 0.457 252 S N -0.194 115.398 115.700 -0.180 0.000 2.399 252 S HA -0.132 4.338 4.470 -0.000 0.000 0.231 252 S C 1.758 176.338 174.600 -0.034 0.000 1.022 252 S CA 1.277 59.471 58.200 -0.009 0.000 0.983 252 S CB -0.257 62.962 63.200 0.031 0.000 0.803 252 S HN 0.624 nan 8.310 nan 0.000 0.480 253 E N 1.042 121.175 120.200 -0.111 0.000 2.204 253 E HA -0.103 4.247 4.350 -0.000 0.000 0.195 253 E C 0.994 177.663 176.600 0.115 0.000 0.990 253 E CA 0.780 57.181 56.400 0.003 0.000 0.821 253 E CB -0.233 29.497 29.700 0.049 0.000 0.750 253 E HN 0.839 nan 8.360 nan 0.000 0.477 254 F N -2.053 118.033 119.950 0.226 0.000 2.791 254 F HA 0.329 4.856 4.527 -0.000 0.000 0.308 254 F C -0.127 175.892 175.800 0.366 0.000 1.138 254 F CA -1.488 56.663 58.000 0.251 0.000 1.294 254 F CB -0.584 38.552 39.000 0.228 0.000 0.975 254 F HN -0.257 nan 8.300 nan 0.000 0.512 255 Y N 2.431 122.803 120.300 0.120 0.000 2.387 255 Y HA 0.689 5.239 4.550 -0.000 0.000 0.336 255 Y C -0.651 175.252 175.900 0.005 0.000 1.067 255 Y CA -1.347 56.720 58.100 -0.054 0.000 1.114 255 Y CB 1.022 39.332 38.460 -0.251 0.000 1.208 255 Y HN 0.083 nan 8.280 nan 0.000 0.458 256 K N 4.757 124.748 120.400 -0.681 0.000 2.587 256 K HA 0.155 4.475 4.320 -0.000 0.000 0.256 256 K C -1.610 174.724 176.600 -0.443 0.000 0.974 256 K CA -0.343 55.680 56.287 -0.439 0.000 0.855 256 K CB 1.019 33.473 32.500 -0.077 0.000 1.292 256 K HN 0.876 nan 8.250 nan 0.000 0.444 257 D N 2.856 122.994 120.400 -0.436 0.000 2.735 257 D HA -0.194 4.446 4.640 -0.000 0.000 0.235 257 D C 0.741 176.942 176.300 -0.166 0.000 1.175 257 D CA 2.120 55.998 54.000 -0.203 0.000 0.683 257 D CB -1.081 39.698 40.800 -0.035 0.000 1.008 257 D HN 1.069 nan 8.370 nan 0.000 0.416 258 G N -1.350 107.188 108.800 -0.437 0.000 2.179 258 G HA2 -0.357 3.602 3.960 -0.000 0.000 0.260 258 G HA3 -0.357 3.602 3.960 -0.000 0.000 0.260 258 G C 0.016 174.586 174.900 -0.551 0.000 0.977 258 G CA 0.655 45.575 45.100 -0.299 0.000 0.641 258 G HN 0.492 nan 8.290 nan 0.000 0.533 259 Y N -1.212 118.800 120.300 -0.480 0.000 2.536 259 Y HA 0.701 5.251 4.550 -0.000 0.000 0.347 259 Y C -0.255 175.381 175.900 -0.440 0.000 1.000 259 Y CA -1.470 56.409 58.100 -0.367 0.000 1.051 259 Y CB 1.396 39.608 38.460 -0.414 0.000 1.259 259 Y HN 0.078 nan 8.280 nan 0.000 0.468 260 Y N 1.156 121.526 120.300 0.116 0.000 2.331 260 Y HA 0.373 4.923 4.550 -0.000 0.000 0.338 260 Y C -1.153 174.728 175.900 -0.033 0.000 0.976 260 Y CA -1.126 57.146 58.100 0.287 0.000 1.137 260 Y CB 0.660 39.376 38.460 0.426 0.000 1.172 260 Y HN 0.442 nan 8.280 nan 0.000 0.478 261 Y N 2.866 123.360 120.300 0.323 0.000 2.595 261 Y HA 0.485 5.035 4.550 -0.000 0.000 0.347 261 Y C -0.342 175.490 175.900 -0.114 0.000 1.025 261 Y CA -0.754 57.398 58.100 0.087 0.000 1.295 261 Y CB 0.463 38.962 38.460 0.066 0.000 1.147 261 Y HN 0.246 nan 8.280 nan 0.000 0.515 262 V N 2.584 122.402 119.914 -0.161 0.000 2.588 262 V HA 0.217 4.337 4.120 -0.000 0.000 0.304 262 V C -0.033 175.927 176.094 -0.224 0.000 1.042 262 V CA -1.532 60.539 62.300 -0.382 0.000 0.877 262 V CB 1.691 33.071 31.823 -0.738 0.000 0.996 262 V HN 0.765 nan 8.190 nan 0.000 0.425 263 E N 3.247 123.353 120.200 -0.157 0.000 2.228 263 E HA -0.257 4.093 4.350 -0.000 0.000 0.213 263 E C 1.140 177.724 176.600 -0.027 0.000 1.282 263 E CA 0.598 56.963 56.400 -0.059 0.000 0.707 263 E CB -1.049 28.643 29.700 -0.014 0.000 1.150 263 E HN 1.525 nan 8.360 nan 0.000 0.362 264 G N 0.234 109.028 108.800 -0.010 0.000 2.225 264 G HA2 -0.372 3.587 3.960 -0.000 0.000 0.267 264 G HA3 -0.372 3.587 3.960 -0.000 0.000 0.267 264 G C 0.054 174.967 174.900 0.020 0.000 1.024 264 G CA 1.198 46.309 45.100 0.017 0.000 0.784 264 G HN 0.318 nan 8.290 nan 0.000 0.507 265 K N -0.927 119.474 120.400 0.001 0.000 2.395 265 K HA 0.636 4.956 4.320 -0.000 0.000 0.247 265 K C -0.235 176.319 176.600 -0.078 0.000 0.973 265 K CA -0.961 55.310 56.287 -0.025 0.000 0.828 265 K CB 1.853 34.326 32.500 -0.044 0.000 1.272 265 K HN 0.066 nan 8.250 nan 0.000 0.439 266 K N 3.147 123.468 120.400 -0.132 0.000 2.404 266 K HA 0.361 4.681 4.320 -0.000 0.000 0.257 266 K C -1.295 175.256 176.600 -0.081 0.000 1.026 266 K CA -0.354 55.741 56.287 -0.320 0.000 0.951 266 K CB 0.326 32.598 32.500 -0.380 0.000 1.203 266 K HN 0.447 nan 8.250 nan 0.000 0.446 267 L N 2.859 124.080 121.223 -0.003 0.000 2.334 267 L HA 0.491 4.830 4.340 -0.000 0.000 0.273 267 L C 0.680 177.694 176.870 0.240 0.000 1.013 267 L CA -1.100 53.817 54.840 0.127 0.000 0.816 267 L CB 1.785 43.876 42.059 0.054 0.000 1.278 267 L HN 0.656 nan 8.230 nan 0.000 0.431 268 T N -2.567 112.083 114.554 0.160 0.000 2.847 268 T HA 0.224 4.573 4.350 -0.000 0.000 0.279 268 T C 1.077 175.896 174.700 0.198 0.000 0.984 268 T CA -0.586 61.540 62.100 0.043 0.000 0.988 268 T CB 1.470 70.317 68.868 -0.035 0.000 1.040 268 T HN 0.708 nan 8.240 nan 0.000 0.528 269 R N 0.478 121.086 120.500 0.181 0.000 2.096 269 R HA -0.202 4.138 4.340 -0.000 0.000 0.240 269 R C 1.884 178.211 176.300 0.046 0.000 1.139 269 R CA 2.281 58.449 56.100 0.113 0.000 0.952 269 R CB -0.592 29.601 30.300 -0.179 0.000 0.854 269 R HN 0.791 nan 8.270 nan 0.000 0.436 270 E N 0.480 120.687 120.200 0.012 0.000 2.110 270 E HA -0.164 4.185 4.350 -0.000 0.000 0.193 270 E C 1.898 178.549 176.600 0.085 0.000 0.988 270 E CA 1.696 58.120 56.400 0.040 0.000 0.804 270 E CB -0.037 29.674 29.700 0.017 0.000 0.745 270 E HN 0.553 nan 8.360 nan 0.000 0.458 271 E N -0.124 120.126 120.200 0.084 0.000 2.107 271 E HA -0.121 4.229 4.350 -0.000 0.000 0.191 271 E C 1.908 178.549 176.600 0.068 0.000 0.982 271 E CA 0.460 56.906 56.400 0.077 0.000 0.809 271 E CB -0.072 29.671 29.700 0.071 0.000 0.756 271 E HN 0.116 nan 8.360 nan 0.000 0.459 272 L N 1.245 122.504 121.223 0.061 0.000 2.093 272 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 272 L C 2.052 178.887 176.870 -0.058 0.000 1.085 272 L CA 1.276 56.057 54.840 -0.098 0.000 0.755 272 L CB -0.344 41.627 42.059 -0.147 0.000 0.904 272 L HN 0.130 nan 8.230 nan 0.000 0.435 273 L N -0.849 120.508 121.223 0.224 0.000 2.046 273 L HA -0.232 4.108 4.340 -0.000 0.000 0.208 273 L C 2.025 179.012 176.870 0.195 0.000 1.077 273 L CA 1.682 56.722 54.840 0.333 0.000 0.747 273 L CB -0.467 41.805 42.059 0.355 0.000 0.896 273 L HN 0.316 nan 8.230 nan 0.000 0.432 274 D N -1.369 119.110 120.400 0.131 0.000 2.178 274 D HA -0.241 4.399 4.640 -0.000 0.000 0.202 274 D C 1.768 178.120 176.300 0.086 0.000 0.974 274 D CA 1.148 55.206 54.000 0.098 0.000 0.841 274 D CB -0.195 40.652 40.800 0.079 0.000 0.953 274 D HN 0.438 nan 8.370 nan 0.000 0.478 275 Y N 0.751 120.998 120.300 -0.088 0.000 2.097 275 Y HA -0.334 4.216 4.550 -0.000 0.000 0.282 275 Y C 2.027 177.869 175.900 -0.096 0.000 1.152 275 Y CA 1.644 59.652 58.100 -0.152 0.000 1.136 275 Y CB -0.496 37.768 38.460 -0.326 0.000 0.975 275 Y HN -0.096 nan 8.280 nan 0.000 0.498 276 Y N 0.620 120.978 120.300 0.096 0.000 2.145 276 Y HA -0.203 4.347 4.550 -0.000 0.000 0.286 276 Y C 2.628 178.500 175.900 -0.047 0.000 1.145 276 Y CA 1.747 59.832 58.100 -0.025 0.000 1.148 276 Y CB -0.981 37.452 38.460 -0.045 0.000 0.981 276 Y HN 0.114 nan 8.280 nan 0.000 0.507 277 K N 0.240 120.732 120.400 0.153 0.000 2.063 277 K HA -0.200 4.119 4.320 -0.000 0.000 0.208 277 K C 2.268 178.894 176.600 0.043 0.000 1.048 277 K CA 1.350 57.689 56.287 0.087 0.000 0.928 277 K CB -0.323 32.225 32.500 0.080 0.000 0.713 277 K HN 0.246 nan 8.250 nan 0.000 0.442 278 A N 0.964 123.788 122.820 0.006 0.000 1.933 278 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 278 A C 2.084 179.665 177.584 -0.005 0.000 1.175 278 A CA 1.258 53.284 52.037 -0.019 0.000 0.628 278 A CB -0.533 18.436 19.000 -0.051 0.000 0.814 278 A HN 0.315 nan 8.150 nan 0.000 0.444 279 L N -0.633 120.582 121.223 -0.015 0.000 2.027 279 L HA -0.146 4.194 4.340 -0.000 0.000 0.206 279 L C 2.501 179.490 176.870 0.198 0.000 1.074 279 L CA 1.070 55.979 54.840 0.115 0.000 0.745 279 L CB -0.644 41.434 42.059 0.032 0.000 0.898 279 L HN 0.229 nan 8.230 nan 0.000 0.433 280 V N -0.079 119.909 119.914 0.124 0.000 2.392 280 V HA -0.289 3.831 4.120 -0.000 0.000 0.249 280 V C 1.916 178.058 176.094 0.079 0.000 1.059 280 V CA 1.873 64.241 62.300 0.114 0.000 1.051 280 V CB -0.569 31.298 31.823 0.073 0.000 0.658 280 V HN 0.432 nan 8.190 nan 0.000 0.455 281 D N -0.285 120.141 120.400 0.043 0.000 2.224 281 D HA -0.093 4.547 4.640 -0.000 0.000 0.205 281 D C 2.145 178.418 176.300 -0.045 0.000 0.965 281 D CA 0.904 54.906 54.000 0.003 0.000 0.852 281 D CB -0.021 40.776 40.800 -0.004 0.000 0.947 281 D HN 0.591 nan 8.370 nan 0.000 0.494 282 E N -1.383 118.768 120.200 -0.081 0.000 2.364 282 E HA 0.050 4.400 4.350 -0.000 0.000 0.196 282 E C -0.195 176.094 176.600 -0.519 0.000 0.990 282 E CA 0.280 56.487 56.400 -0.322 0.000 0.886 282 E CB 0.511 29.943 29.700 -0.446 0.000 0.866 282 E HN 0.269 nan 8.360 nan 0.000 0.493 283 Y N -0.140 120.210 120.300 0.084 0.000 2.545 283 Y HA 0.275 4.825 4.550 -0.000 0.000 0.348 283 Y C -2.238 173.722 175.900 0.100 0.000 1.002 283 Y CA -2.999 55.190 58.100 0.149 0.000 1.039 283 Y CB 1.335 39.965 38.460 0.283 0.000 1.271 283 Y HN -0.186 nan 8.280 nan 0.000 0.467 284 P HA 0.145 nan 4.420 nan 0.000 0.231 284 P C -0.536 176.787 177.300 0.038 0.000 1.756 284 P CA 0.599 63.698 63.100 -0.002 0.000 0.990 284 P CB -0.543 31.043 31.700 -0.190 0.000 1.973 285 I N 1.819 122.492 120.570 0.171 0.000 2.322 285 I HA 0.016 4.186 4.170 -0.000 0.000 0.292 285 I C 1.771 177.946 176.117 0.096 0.000 1.060 285 I CA -0.398 61.007 61.300 0.176 0.000 1.309 285 I CB 1.628 39.738 38.000 0.183 0.000 1.415 285 I HN -0.017 nan 8.210 nan 0.000 0.492 286 V N 1.807 121.768 119.914 0.079 0.000 3.660 286 V HA 0.269 4.389 4.120 -0.000 0.000 0.276 286 V C 0.521 176.681 176.094 0.110 0.000 1.317 286 V CA 0.147 62.513 62.300 0.111 0.000 1.097 286 V CB 0.298 32.228 31.823 0.177 0.000 0.863 286 V HN 0.652 nan 8.190 nan 0.000 0.438 287 S N -0.244 115.478 115.700 0.036 0.000 2.543 287 S HA 0.749 5.219 4.470 -0.000 0.000 0.273 287 S C -1.367 173.194 174.600 -0.065 0.000 1.152 287 S CA -0.571 57.630 58.200 0.002 0.000 0.910 287 S CB 1.723 64.919 63.200 -0.006 0.000 1.105 287 S HN 0.331 nan 8.310 nan 0.000 0.465 288 I N 3.191 123.688 120.570 -0.121 0.000 2.478 288 I HA 0.410 4.580 4.170 -0.000 0.000 0.287 288 I C -0.266 175.716 176.117 -0.224 0.000 1.042 288 I CA -0.504 60.660 61.300 -0.228 0.000 1.067 288 I CB 1.975 39.737 38.000 -0.396 0.000 1.233 288 I HN 0.651 nan 8.210 nan 0.000 0.431 289 E N 5.982 126.068 120.200 -0.190 0.000 2.216 289 E HA 0.134 4.484 4.350 -0.000 0.000 0.279 289 E C -0.789 175.709 176.600 -0.169 0.000 0.997 289 E CA -0.422 55.903 56.400 -0.125 0.000 0.817 289 E CB 0.827 30.486 29.700 -0.069 0.000 1.096 289 E HN 0.485 nan 8.360 nan 0.000 0.393 290 D N 4.612 124.961 120.400 -0.085 0.000 2.802 290 D HA -0.147 4.492 4.640 -0.000 0.000 0.229 290 D C -1.782 174.294 176.300 -0.374 0.000 1.203 290 D CA 0.395 54.359 54.000 -0.060 0.000 0.712 290 D CB -0.363 40.433 40.800 -0.007 0.000 0.973 290 D HN 0.487 nan 8.370 nan 0.000 0.407 291 P HA -0.125 nan 4.420 nan 0.000 0.220 291 P C 0.411 177.044 177.300 -1.113 0.000 1.148 291 P CA 1.044 63.454 63.100 -1.149 0.000 0.803 291 P CB 0.268 30.996 31.700 -1.620 0.000 0.782 292 F N -1.250 118.325 119.950 -0.625 0.000 2.654 292 F HA 0.340 4.866 4.527 -0.000 0.000 0.334 292 F C 1.145 176.891 175.800 -0.090 0.000 1.078 292 F CA -1.502 56.275 58.000 -0.372 0.000 0.986 292 F CB -0.265 38.477 39.000 -0.430 0.000 1.362 292 F HN -0.157 nan 8.300 nan 0.000 0.498 293 H N -0.889 118.306 119.070 0.209 0.000 2.852 293 H HA 0.135 4.691 4.556 -0.000 0.000 0.362 293 H C 0.999 176.341 175.328 0.024 0.000 1.122 293 H CA 0.095 56.134 56.048 -0.015 0.000 1.419 293 H CB 0.181 29.701 29.762 -0.403 0.000 1.401 293 H HN 0.745 nan 8.280 nan 0.000 0.609 294 E N 0.695 120.971 120.200 0.126 0.000 2.448 294 E HA -0.236 4.113 4.350 -0.000 0.000 0.203 294 E C 0.169 176.697 176.600 -0.119 0.000 1.046 294 E CA 1.389 57.766 56.400 -0.038 0.000 0.871 294 E CB -0.094 29.610 29.700 0.006 0.000 0.790 294 E HN 0.745 nan 8.360 nan 0.000 0.545 295 E N 0.598 120.841 120.200 0.072 0.000 2.601 295 E HA 0.027 4.376 4.350 -0.000 0.000 0.219 295 E C -0.320 176.234 176.600 -0.076 0.000 0.964 295 E CA 0.010 56.443 56.400 0.054 0.000 1.050 295 E CB 0.437 30.311 29.700 0.291 0.000 1.068 295 E HN 0.127 nan 8.360 nan 0.000 0.496 296 D N 0.321 120.434 120.400 -0.478 0.000 2.845 296 D HA 0.084 4.723 4.640 -0.000 0.000 0.235 296 D C 0.657 176.921 176.300 -0.060 0.000 1.158 296 D CA -0.283 53.494 54.000 -0.371 0.000 0.990 296 D CB -0.691 39.672 40.800 -0.729 0.000 1.094 296 D HN -0.114 nan 8.370 nan 0.000 0.486 297 F N 0.634 120.562 119.950 -0.036 0.000 2.095 297 F HA -0.150 4.376 4.527 -0.000 0.000 0.298 297 F C 2.377 178.227 175.800 0.084 0.000 1.104 297 F CA 1.329 59.327 58.000 -0.003 0.000 1.232 297 F CB -0.172 38.820 39.000 -0.013 0.000 0.987 297 F HN 0.318 nan 8.300 nan 0.000 0.475 298 E N 0.216 120.547 120.200 0.219 0.000 2.058 298 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 298 E C 2.577 179.209 176.600 0.054 0.000 0.997 298 E CA 1.376 57.844 56.400 0.114 0.000 0.801 298 E CB -0.644 29.087 29.700 0.053 0.000 0.746 298 E HN 0.381 nan 8.360 nan 0.000 0.450 299 G N -0.114 108.655 108.800 -0.052 0.000 2.440 299 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.218 299 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.218 299 G C 1.270 176.206 174.900 0.058 0.000 1.154 299 G CA 0.774 45.693 45.100 -0.301 0.000 0.767 299 G HN 0.264 nan 8.290 nan 0.000 0.552 300 F N 1.748 121.755 119.950 0.096 0.000 2.134 300 F HA 0.028 4.555 4.527 -0.000 0.000 0.299 300 F C 3.035 178.900 175.800 0.108 0.000 1.097 300 F CA 1.065 59.146 58.000 0.135 0.000 1.264 300 F CB -0.331 38.662 39.000 -0.012 0.000 1.001 300 F HN 0.241 nan 8.300 nan 0.000 0.479 301 A N -0.304 122.688 122.820 0.287 0.000 1.933 301 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 301 A C 2.220 179.882 177.584 0.130 0.000 1.175 301 A CA 1.738 53.891 52.037 0.194 0.000 0.628 301 A CB -0.722 18.379 19.000 0.169 0.000 0.814 301 A HN 0.360 nan 8.150 nan 0.000 0.444 302 M N -1.027 118.637 119.600 0.108 0.000 2.067 302 M HA -0.072 4.408 4.480 -0.000 0.000 0.260 302 M C 2.266 178.627 176.300 0.102 0.000 1.069 302 M CA 1.885 57.232 55.300 0.077 0.000 1.117 302 M CB -0.381 32.233 32.600 0.025 0.000 1.334 302 M HN 0.507 nan 8.290 nan 0.000 0.407 303 I N -0.235 120.430 120.570 0.158 0.000 2.394 303 I HA -0.236 3.933 4.170 -0.000 0.000 0.251 303 I C 1.905 178.051 176.117 0.048 0.000 1.136 303 I CA 1.222 62.596 61.300 0.123 0.000 1.425 303 I CB 0.005 38.074 38.000 0.115 0.000 1.079 303 I HN 0.295 nan 8.210 nan 0.000 0.425 304 T N 0.592 115.180 114.554 0.057 0.000 2.821 304 T HA -0.223 4.127 4.350 -0.000 0.000 0.267 304 T C 1.858 176.575 174.700 0.029 0.000 1.046 304 T CA 1.583 63.702 62.100 0.032 0.000 1.139 304 T CB -0.114 68.789 68.868 0.057 0.000 0.871 304 T HN 0.361 nan 8.240 nan 0.000 0.454 305 K N 0.921 121.349 120.400 0.047 0.000 2.076 305 K HA -0.015 4.304 4.320 -0.000 0.000 0.204 305 K C 2.154 178.774 176.600 0.033 0.000 1.051 305 K CA 1.055 57.365 56.287 0.039 0.000 0.949 305 K CB 0.065 32.592 32.500 0.046 0.000 0.726 305 K HN 0.321 nan 8.250 nan 0.000 0.443 306 E N 0.298 120.524 120.200 0.042 0.000 2.107 306 E HA -0.032 4.317 4.350 -0.000 0.000 0.191 306 E C 0.357 176.976 176.600 0.033 0.000 0.982 306 E CA 0.445 56.870 56.400 0.041 0.000 0.809 306 E CB 0.171 29.904 29.700 0.057 0.000 0.756 306 E HN 0.253 nan 8.360 nan 0.000 0.459 307 L N 0.474 121.713 121.223 0.027 0.000 2.387 307 L HA 0.216 4.556 4.340 -0.000 0.000 0.266 307 L C 0.130 177.004 176.870 0.007 0.000 1.059 307 L CA -0.401 54.449 54.840 0.017 0.000 0.801 307 L CB 0.970 43.032 42.059 0.005 0.000 1.223 307 L HN -0.114 nan 8.230 nan 0.000 0.456 308 D N 1.198 121.602 120.400 0.007 0.000 2.892 308 D HA 0.338 4.978 4.640 -0.000 0.000 0.291 308 D C -0.376 175.925 176.300 0.003 0.000 1.341 308 D CA -0.155 53.846 54.000 0.002 0.000 0.844 308 D CB 0.057 40.859 40.800 0.003 0.000 1.093 308 D HN 0.392 nan 8.370 nan 0.000 0.480 309 I N -3.596 116.975 120.570 0.002 0.000 3.457 309 I HA 0.525 4.695 4.170 -0.000 0.000 0.307 309 I C -0.515 175.608 176.117 0.009 0.000 1.138 309 I CA -1.347 59.964 61.300 0.018 0.000 0.974 309 I CB 1.463 39.478 38.000 0.025 0.000 1.324 309 I HN -0.247 nan 8.210 nan 0.000 0.485 310 Q N 1.655 121.485 119.800 0.049 0.000 2.286 310 Q HA 0.428 4.768 4.340 -0.000 0.000 0.257 310 Q C -1.463 174.532 176.000 -0.007 0.000 0.941 310 Q CA -0.481 55.348 55.803 0.044 0.000 0.912 310 Q CB 1.160 29.993 28.738 0.157 0.000 1.192 310 Q HN 0.523 nan 8.270 nan 0.000 0.410 311 I N 5.445 126.000 120.570 -0.026 0.000 2.420 311 I HA 0.245 4.415 4.170 -0.000 0.000 0.282 311 I C -0.648 175.489 176.117 0.033 0.000 1.019 311 I CA -0.631 60.642 61.300 -0.044 0.000 1.130 311 I CB 1.313 39.285 38.000 -0.046 0.000 1.262 311 I HN 0.444 nan 8.210 nan 0.000 0.454 312 V N 5.102 125.035 119.914 0.031 0.000 2.465 312 V HA 0.579 4.699 4.120 -0.000 0.000 0.279 312 V C 0.892 177.057 176.094 0.119 0.000 1.045 312 V CA -0.604 61.750 62.300 0.090 0.000 0.938 312 V CB 1.434 33.289 31.823 0.053 0.000 0.986 312 V HN 0.871 nan 8.190 nan 0.000 0.467 313 G N 1.979 110.842 108.800 0.104 0.000 2.319 313 G HA2 0.441 4.401 3.960 -0.000 0.000 0.308 313 G HA3 0.441 4.401 3.960 -0.000 0.000 0.308 313 G C -0.108 174.737 174.900 -0.092 0.000 1.117 313 G CA -0.106 44.832 45.100 -0.271 0.000 0.903 313 G HN 0.742 nan 8.290 nan 0.000 0.436 314 D N 1.232 121.559 120.400 -0.123 0.000 3.061 314 D HA -0.025 4.615 4.640 -0.000 0.000 0.243 314 D C 1.443 177.702 176.300 -0.068 0.000 1.572 314 D CA 0.131 54.115 54.000 -0.027 0.000 1.269 314 D CB 0.287 41.086 40.800 -0.001 0.000 1.023 314 D HN 0.188 nan 8.370 nan 0.000 0.280 315 D N 0.492 120.844 120.400 -0.080 0.000 2.218 315 D HA -0.112 4.528 4.640 -0.000 0.000 0.204 315 D C 2.102 178.301 176.300 -0.168 0.000 0.976 315 D CA 0.361 54.318 54.000 -0.071 0.000 0.853 315 D CB -0.120 40.656 40.800 -0.039 0.000 0.939 315 D HN 0.183 nan 8.370 nan 0.000 0.481 316 L N -0.312 120.665 121.223 -0.409 0.000 2.042 316 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 316 L C 1.588 178.132 176.870 -0.544 0.000 1.076 316 L CA 1.683 56.047 54.840 -0.793 0.000 0.749 316 L CB -0.271 40.787 42.059 -1.669 0.000 0.893 316 L HN -0.117 nan 8.230 nan 0.000 0.432 317 F N -1.039 118.792 119.950 -0.198 0.000 2.622 317 F HA 0.240 4.767 4.527 -0.000 0.000 0.288 317 F C 1.495 177.272 175.800 -0.039 0.000 1.120 317 F CA 0.294 58.239 58.000 -0.091 0.000 1.423 317 F CB -0.804 38.149 39.000 -0.079 0.000 1.127 317 F HN -0.084 nan 8.300 nan 0.000 0.588 318 V N -0.503 119.490 119.914 0.133 0.000 5.043 318 V HA -0.370 3.750 4.120 -0.000 0.000 0.267 318 V C 0.339 176.485 176.094 0.087 0.000 0.597 318 V CA 0.514 62.869 62.300 0.092 0.000 0.703 318 V CB -3.329 28.550 31.823 0.093 0.000 0.558 318 V HN 0.549 nan 8.190 nan 0.000 1.038 319 T N -1.016 113.596 114.554 0.095 0.000 3.852 319 T HA -0.280 4.070 4.350 -0.000 0.000 0.361 319 T C 0.284 174.988 174.700 0.008 0.000 0.759 319 T CA 1.539 63.660 62.100 0.036 0.000 1.899 319 T CB -1.644 67.234 68.868 0.017 0.000 1.822 319 T HN 1.359 nan 8.240 nan 0.000 0.778 320 N N 0.397 119.110 118.700 0.022 0.000 2.444 320 N HA 0.293 5.033 4.740 -0.000 0.000 0.262 320 N C 1.245 176.713 175.510 -0.070 0.000 0.974 320 N CA -0.384 52.662 53.050 -0.007 0.000 0.933 320 N CB 1.708 40.212 38.487 0.027 0.000 1.137 320 N HN 0.025 nan 8.380 nan 0.000 0.498 321 V N 3.854 123.712 119.914 -0.093 0.000 2.278 321 V HA -0.263 3.857 4.120 -0.000 0.000 0.251 321 V C 2.388 178.395 176.094 -0.145 0.000 1.062 321 V CA 2.318 64.536 62.300 -0.136 0.000 1.038 321 V CB -0.589 31.168 31.823 -0.110 0.000 0.646 321 V HN 0.784 nan 8.190 nan 0.000 0.447 322 E N 0.131 120.268 120.200 -0.105 0.000 2.077 322 E HA -0.256 4.094 4.350 -0.000 0.000 0.193 322 E C 2.413 178.948 176.600 -0.107 0.000 0.989 322 E CA 1.460 57.796 56.400 -0.107 0.000 0.800 322 E CB -0.127 29.519 29.700 -0.090 0.000 0.746 322 E HN 0.553 nan 8.360 nan 0.000 0.452 323 R N -0.023 120.447 120.500 -0.050 0.000 2.115 323 R HA -0.109 4.231 4.340 -0.000 0.000 0.230 323 R C 2.555 178.897 176.300 0.070 0.000 1.111 323 R CA 1.040 57.202 56.100 0.103 0.000 0.976 323 R CB -0.343 30.106 30.300 0.249 0.000 0.870 323 R HN 0.244 nan 8.270 nan 0.000 0.445 324 L N 1.156 122.214 121.223 -0.275 0.000 2.056 324 L HA -0.113 4.227 4.340 -0.000 0.000 0.207 324 L C 2.341 178.915 176.870 -0.493 0.000 1.078 324 L CA 1.690 56.057 54.840 -0.788 0.000 0.749 324 L CB -0.402 41.214 42.059 -0.738 0.000 0.901 324 L HN -0.025 nan 8.230 nan 0.000 0.433 325 R N -0.256 120.059 120.500 -0.308 0.000 2.081 325 R HA -0.228 4.112 4.340 -0.000 0.000 0.235 325 R C 2.452 178.641 176.300 -0.185 0.000 1.131 325 R CA 1.889 57.846 56.100 -0.238 0.000 0.960 325 R CB -0.225 29.967 30.300 -0.180 0.000 0.856 325 R HN 0.434 nan 8.270 nan 0.000 0.436 326 K N -0.594 119.701 120.400 -0.176 0.000 2.057 326 K HA -0.108 4.212 4.320 -0.000 0.000 0.207 326 K C 1.933 178.461 176.600 -0.120 0.000 1.049 326 K CA 1.746 57.896 56.287 -0.228 0.000 0.931 326 K CB -0.388 31.845 32.500 -0.445 0.000 0.714 326 K HN 0.305 nan 8.250 nan 0.000 0.440 327 G N 1.393 110.263 108.800 0.116 0.000 2.418 327 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 327 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 327 G C 1.513 176.560 174.900 0.245 0.000 1.158 327 G CA 1.033 46.396 45.100 0.439 0.000 0.771 327 G HN 0.290 nan 8.290 nan 0.000 0.545 328 I N 0.602 121.162 120.570 -0.017 0.000 2.226 328 I HA -0.170 4.000 4.170 -0.000 0.000 0.245 328 I C 2.725 178.871 176.117 0.049 0.000 1.100 328 I CA 1.354 62.629 61.300 -0.042 0.000 1.374 328 I CB -0.281 37.544 38.000 -0.291 0.000 1.057 328 I HN 0.249 nan 8.210 nan 0.000 0.413 329 E N 0.331 120.525 120.200 -0.010 0.000 2.204 329 E HA -0.175 4.174 4.350 -0.000 0.000 0.195 329 E C 1.974 178.593 176.600 0.031 0.000 0.990 329 E CA 1.125 57.522 56.400 -0.006 0.000 0.821 329 E CB -0.040 29.630 29.700 -0.050 0.000 0.750 329 E HN 0.523 nan 8.360 nan 0.000 0.477 330 M N -0.059 119.581 119.600 0.066 0.000 2.428 330 M HA 0.090 4.570 4.480 -0.000 0.000 0.239 330 M C -0.237 176.155 176.300 0.152 0.000 1.121 330 M CA 0.121 55.478 55.300 0.095 0.000 1.019 330 M CB 0.700 33.362 32.600 0.103 0.000 1.485 330 M HN -0.218 nan 8.290 nan 0.000 0.484 331 K N -0.114 120.401 120.400 0.192 0.000 3.129 331 K HA -0.137 4.183 4.320 -0.000 0.000 0.273 331 K C -0.377 176.372 176.600 0.248 0.000 1.123 331 K CA 0.773 57.190 56.287 0.216 0.000 0.800 331 K CB -2.414 30.166 32.500 0.135 0.000 1.238 331 K HN 0.474 nan 8.250 nan 0.000 0.492 332 A N 0.465 123.494 122.820 0.349 0.000 2.302 332 A HA 0.671 4.990 4.320 -0.000 0.000 0.295 332 A C 0.801 178.644 177.584 0.432 0.000 1.235 332 A CA 0.599 52.865 52.037 0.381 0.000 0.876 332 A CB 0.390 19.647 19.000 0.428 0.000 1.133 332 A HN 1.380 nan 8.150 nan 0.000 0.533 333 A N 2.609 125.617 122.820 0.313 0.000 4.772 333 A HA -0.036 4.284 4.320 -0.000 0.000 0.553 333 A C 0.221 177.678 177.584 -0.211 0.000 1.107 333 A CA 0.718 52.878 52.037 0.205 0.000 0.419 333 A CB -1.062 18.150 19.000 0.353 0.000 3.151 333 A HN 2.347 nan 8.150 nan 0.000 0.491 334 N N -0.880 117.585 118.700 -0.393 0.000 2.301 334 N HA 0.600 5.339 4.740 -0.000 0.000 0.247 334 N C -0.476 174.733 175.510 -0.501 0.000 1.347 334 N CA 1.149 53.661 53.050 -0.896 0.000 0.844 334 N CB 0.709 38.946 38.487 -0.417 0.000 1.332 334 N HN 2.241 nan 8.380 nan 0.000 0.494 335 A N 0.025 122.790 122.820 -0.092 0.000 2.589 335 A HA 0.671 4.991 4.320 -0.000 0.000 0.296 335 A C -2.151 175.644 177.584 0.353 0.000 1.062 335 A CA -0.805 51.338 52.037 0.177 0.000 0.686 335 A CB 1.144 20.212 19.000 0.113 0.000 1.282 335 A HN 0.253 nan 8.150 nan 0.000 0.404 336 L N 1.606 122.985 121.223 0.260 0.000 2.322 336 L HA 0.810 5.150 4.340 -0.000 0.000 0.281 336 L C -1.258 175.686 176.870 0.123 0.000 1.014 336 L CA -0.671 54.303 54.840 0.223 0.000 0.815 336 L CB 1.506 43.581 42.059 0.025 0.000 1.247 336 L HN 0.689 nan 8.230 nan 0.000 0.421 337 L N 5.472 126.779 121.223 0.140 0.000 2.261 337 L HA 0.440 4.780 4.340 -0.000 0.000 0.289 337 L C -0.888 176.016 176.870 0.056 0.000 1.059 337 L CA -0.059 54.828 54.840 0.079 0.000 0.816 337 L CB 0.941 43.043 42.059 0.071 0.000 1.191 337 L HN 0.720 nan 8.230 nan 0.000 0.431 338 L N 6.149 127.385 121.223 0.022 0.000 2.261 338 L HA 0.379 4.719 4.340 -0.000 0.000 0.289 338 L C -0.438 176.442 176.870 0.016 0.000 1.059 338 L CA 0.228 55.068 54.840 0.001 0.000 0.816 338 L CB 0.142 42.180 42.059 -0.034 0.000 1.191 338 L HN 0.535 nan 8.230 nan 0.000 0.431 339 K N 4.409 124.820 120.400 0.019 0.000 2.464 339 K HA 0.212 4.532 4.320 -0.000 0.000 0.252 339 K C 1.114 177.720 176.600 0.011 0.000 1.000 339 K CA -0.291 56.010 56.287 0.023 0.000 0.951 339 K CB 1.530 34.047 32.500 0.028 0.000 1.183 339 K HN 0.590 nan 8.250 nan 0.000 0.445 340 V N 0.336 120.255 119.914 0.007 0.000 2.380 340 V HA -0.324 3.796 4.120 -0.000 0.000 0.251 340 V C 1.664 177.758 176.094 -0.000 0.000 1.063 340 V CA 2.070 64.371 62.300 0.001 0.000 1.055 340 V CB -0.545 31.281 31.823 0.004 0.000 0.657 340 V HN 0.840 nan 8.190 nan 0.000 0.455 341 N N 0.387 119.087 118.700 0.000 0.000 2.521 341 N HA -0.146 4.593 4.740 -0.000 0.000 0.188 341 N C 1.722 177.231 175.510 -0.001 0.000 1.146 341 N CA 1.414 54.461 53.050 -0.004 0.000 0.893 341 N CB -0.060 38.422 38.487 -0.009 0.000 0.975 341 N HN 0.767 nan 8.380 nan 0.000 0.451 342 Q N -0.166 119.637 119.800 0.005 0.000 2.354 342 Q HA 0.246 4.586 4.340 -0.000 0.000 0.203 342 Q C 1.657 177.664 176.000 0.011 0.000 0.933 342 Q CA 0.296 56.106 55.803 0.011 0.000 0.901 342 Q CB 0.286 29.036 28.738 0.020 0.000 1.007 342 Q HN 0.472 nan 8.270 nan 0.000 0.495 343 I N -2.633 117.939 120.570 0.003 0.000 3.445 343 I HA 0.211 4.381 4.170 -0.000 0.000 0.288 343 I C 1.104 177.217 176.117 -0.007 0.000 1.198 343 I CA 1.090 62.389 61.300 -0.002 0.000 1.417 343 I CB 0.823 38.816 38.000 -0.012 0.000 1.205 343 I HN 0.330 nan 8.210 nan 0.000 0.448 344 G N 0.669 109.464 108.800 -0.008 0.000 2.391 344 G HA2 -0.205 3.754 3.960 -0.000 0.000 0.204 344 G HA3 -0.205 3.754 3.960 -0.000 0.000 0.204 344 G C 0.498 175.390 174.900 -0.014 0.000 1.012 344 G CA 0.204 45.297 45.100 -0.011 0.000 0.651 344 G HN 0.555 nan 8.290 nan 0.000 0.494 345 T N -1.623 112.923 114.554 -0.014 0.000 2.896 345 T HA 0.721 5.071 4.350 -0.000 0.000 0.297 345 T C 1.174 175.869 174.700 -0.009 0.000 1.108 345 T CA -0.116 61.976 62.100 -0.014 0.000 1.004 345 T CB 2.087 70.944 68.868 -0.019 0.000 1.159 345 T HN 0.244 nan 8.240 nan 0.000 0.499 346 L N 0.905 122.127 121.223 -0.002 0.000 2.046 346 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 346 L C 2.862 179.731 176.870 -0.001 0.000 1.077 346 L CA 1.483 56.328 54.840 0.007 0.000 0.747 346 L CB -0.560 41.513 42.059 0.024 0.000 0.896 346 L HN 0.836 nan 8.230 nan 0.000 0.432 347 S N -0.312 115.385 115.700 -0.006 0.000 2.359 347 S HA -0.239 4.230 4.470 -0.000 0.000 0.224 347 S C 1.722 176.309 174.600 -0.022 0.000 1.035 347 S CA 1.574 59.766 58.200 -0.013 0.000 1.018 347 S CB -0.226 62.964 63.200 -0.016 0.000 0.876 347 S HN 0.471 nan 8.310 nan 0.000 0.448 348 E N 1.082 121.267 120.200 -0.025 0.000 2.072 348 E HA -0.048 4.302 4.350 -0.000 0.000 0.191 348 E C 2.389 178.965 176.600 -0.039 0.000 0.985 348 E CA 0.883 57.263 56.400 -0.033 0.000 0.801 348 E CB -0.254 29.428 29.700 -0.030 0.000 0.750 348 E HN 0.504 nan 8.360 nan 0.000 0.452 349 A N 0.971 123.773 122.820 -0.030 0.000 1.902 349 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 349 A C 2.487 180.044 177.584 -0.044 0.000 1.181 349 A CA 1.245 53.261 52.037 -0.035 0.000 0.623 349 A CB -0.634 18.355 19.000 -0.018 0.000 0.818 349 A HN 0.122 nan 8.150 nan 0.000 0.443 350 V N 0.463 120.361 119.914 -0.027 0.000 2.427 350 V HA -0.198 3.922 4.120 -0.000 0.000 0.248 350 V C 2.070 178.143 176.094 -0.035 0.000 1.051 350 V CA 2.102 64.391 62.300 -0.018 0.000 1.048 350 V CB -0.780 31.043 31.823 0.001 0.000 0.666 350 V HN 0.463 nan 8.190 nan 0.000 0.456 351 D N 0.594 120.968 120.400 -0.045 0.000 2.144 351 D HA -0.107 4.533 4.640 -0.000 0.000 0.199 351 D C 2.240 178.486 176.300 -0.091 0.000 0.984 351 D CA 1.610 55.576 54.000 -0.057 0.000 0.834 351 D CB -0.208 40.559 40.800 -0.055 0.000 0.955 351 D HN 0.436 nan 8.370 nan 0.000 0.465 352 A N 0.947 123.703 122.820 -0.107 0.000 1.898 352 A HA -0.021 4.299 4.320 -0.000 0.000 0.216 352 A C 2.309 179.765 177.584 -0.214 0.000 1.181 352 A CA 2.063 54.006 52.037 -0.156 0.000 0.620 352 A CB -0.646 18.272 19.000 -0.137 0.000 0.819 352 A HN 0.227 nan 8.150 nan 0.000 0.442 353 A N -1.102 121.592 122.820 -0.211 0.000 1.902 353 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 353 A C 2.134 179.500 177.584 -0.363 0.000 1.181 353 A CA 1.683 53.491 52.037 -0.382 0.000 0.623 353 A CB -0.472 18.360 19.000 -0.279 0.000 0.818 353 A HN 0.478 nan 8.150 nan 0.000 0.443 354 Q N -0.893 118.855 119.800 -0.087 0.000 2.084 354 Q HA -0.150 4.190 4.340 -0.000 0.000 0.202 354 Q C 2.114 178.100 176.000 -0.023 0.000 0.978 354 Q CA 1.393 57.228 55.803 0.053 0.000 0.844 354 Q CB -0.718 28.042 28.738 0.037 0.000 0.898 354 Q HN 0.583 nan 8.270 nan 0.000 0.426 355 L N 0.726 121.881 121.223 -0.113 0.000 2.042 355 L HA -0.132 4.208 4.340 -0.000 0.000 0.210 355 L C 2.092 178.841 176.870 -0.203 0.000 1.076 355 L CA 2.157 56.905 54.840 -0.154 0.000 0.749 355 L CB -0.910 41.029 42.059 -0.200 0.000 0.893 355 L HN 0.132 nan 8.230 nan 0.000 0.432 356 A N -0.907 121.751 122.820 -0.271 0.000 1.841 356 A HA -0.183 4.137 4.320 -0.000 0.000 0.214 356 A C 2.100 179.661 177.584 -0.037 0.000 1.195 356 A CA 1.763 53.628 52.037 -0.287 0.000 0.611 356 A CB -1.099 17.705 19.000 -0.327 0.000 0.835 356 A HN 0.408 nan 8.150 nan 0.000 0.443 357 F N 0.197 120.134 119.950 -0.022 0.000 2.065 357 F HA -0.185 4.342 4.527 -0.000 0.000 0.298 357 F C 2.438 178.227 175.800 -0.018 0.000 1.112 357 F CA 1.783 59.780 58.000 -0.005 0.000 1.212 357 F CB -0.767 38.212 39.000 -0.036 0.000 0.975 357 F HN 0.152 nan 8.300 nan 0.000 0.476 358 R N -0.152 120.445 120.500 0.162 0.000 2.357 358 R HA -0.048 4.292 4.340 -0.000 0.000 0.202 358 R C 0.630 176.954 176.300 0.039 0.000 1.047 358 R CA 0.652 56.788 56.100 0.060 0.000 1.034 358 R CB -0.351 29.959 30.300 0.017 0.000 0.875 358 R HN 0.278 nan 8.270 nan 0.000 0.473 359 N N -0.406 118.327 118.700 0.055 0.000 2.282 359 N HA 0.079 4.819 4.740 -0.000 0.000 0.240 359 N C 0.274 175.915 175.510 0.218 0.000 1.182 359 N CA 0.571 53.663 53.050 0.070 0.000 0.874 359 N CB 1.777 40.233 38.487 -0.051 0.000 1.126 359 N HN 0.306 nan 8.380 nan 0.000 0.516 360 G N 0.662 109.583 108.800 0.200 0.000 2.148 360 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.254 360 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.254 360 G C -0.330 174.723 174.900 0.256 0.000 0.981 360 G CA 0.164 45.381 45.100 0.196 0.000 0.670 360 G HN 0.305 nan 8.290 nan 0.000 0.528 361 Y N 0.849 121.188 120.300 0.066 0.000 2.301 361 Y HA 0.554 5.104 4.550 -0.000 0.000 0.325 361 Y C 1.320 177.283 175.900 0.104 0.000 1.203 361 Y CA -0.194 57.942 58.100 0.059 0.000 1.255 361 Y CB 1.220 39.678 38.460 -0.003 0.000 1.232 361 Y HN 0.256 nan 8.280 nan 0.000 0.501 362 G N 0.858 109.784 108.800 0.208 0.000 2.562 362 G HA2 0.500 4.460 3.960 -0.000 0.000 0.275 362 G HA3 0.500 4.460 3.960 -0.000 0.000 0.275 362 G C -1.447 173.536 174.900 0.138 0.000 1.196 362 G CA -0.517 44.715 45.100 0.219 0.000 0.908 362 G HN 0.446 nan 8.290 nan 0.000 0.524 363 V N 0.371 120.360 119.914 0.125 0.000 2.525 363 V HA 0.319 4.439 4.120 -0.000 0.000 0.299 363 V C -0.451 175.681 176.094 0.063 0.000 1.034 363 V CA -0.612 61.663 62.300 -0.041 0.000 0.863 363 V CB 1.826 33.398 31.823 -0.417 0.000 0.999 363 V HN 0.519 nan 8.190 nan 0.000 0.423 364 V N 5.820 125.762 119.914 0.046 0.000 2.311 364 V HA 0.320 4.440 4.120 -0.000 0.000 0.275 364 V C 0.163 176.270 176.094 0.022 0.000 1.022 364 V CA -0.622 61.706 62.300 0.045 0.000 0.830 364 V CB 1.650 33.497 31.823 0.040 0.000 1.012 364 V HN 0.621 nan 8.190 nan 0.000 0.452 365 V N 4.681 124.607 119.914 0.020 0.000 2.521 365 V HA 0.267 4.387 4.120 -0.000 0.000 0.286 365 V C 0.637 176.728 176.094 -0.005 0.000 1.034 365 V CA 0.602 62.908 62.300 0.010 0.000 1.045 365 V CB 1.310 33.143 31.823 0.017 0.000 0.974 365 V HN 0.894 nan 8.190 nan 0.000 0.480 366 S N 3.615 119.325 115.700 0.016 0.000 2.600 366 S HA 0.602 5.072 4.470 -0.000 0.000 0.300 366 S C -0.341 174.326 174.600 0.112 0.000 1.087 366 S CA -0.808 57.418 58.200 0.043 0.000 0.965 366 S CB 1.099 64.352 63.200 0.089 0.000 1.089 366 S HN 0.957 nan 8.310 nan 0.000 0.496 367 H N 1.287 120.338 119.070 -0.032 0.000 2.497 367 H HA 0.741 5.296 4.556 -0.000 0.000 0.331 367 H C -0.222 175.090 175.328 -0.026 0.000 1.457 367 H CA -1.267 54.758 56.048 -0.039 0.000 1.459 367 H CB 0.521 30.249 29.762 -0.058 0.000 1.728 367 H HN 0.289 nan 8.280 nan 0.000 0.691 368 R N -0.542 119.893 120.500 -0.107 0.000 2.892 368 R HA 0.232 4.572 4.340 -0.000 0.000 0.265 368 R C 0.960 177.047 176.300 -0.354 0.000 1.025 368 R CA -0.884 55.101 56.100 -0.192 0.000 0.982 368 R CB 1.629 31.878 30.300 -0.084 0.000 1.185 368 R HN 0.744 nan 8.270 nan 0.000 0.484 369 S N 0.120 115.667 115.700 -0.254 0.000 2.370 369 S HA -0.089 4.381 4.470 -0.000 0.000 0.226 369 S C 1.034 175.543 174.600 -0.152 0.000 1.033 369 S CA 1.693 59.765 58.200 -0.212 0.000 1.011 369 S CB -0.088 63.044 63.200 -0.113 0.000 0.852 369 S HN 0.697 nan 8.310 nan 0.000 0.457 370 G N 2.108 110.839 108.800 -0.114 0.000 2.504 370 G HA2 0.485 4.445 3.960 -0.000 0.000 0.326 370 G HA3 0.485 4.445 3.960 -0.000 0.000 0.326 370 G C -0.377 174.477 174.900 -0.077 0.000 1.073 370 G CA -0.370 44.681 45.100 -0.081 0.000 1.030 370 G HN 0.036 nan 8.290 nan 0.000 0.448 371 E N 0.416 120.575 120.200 -0.067 0.000 2.285 371 E HA 0.686 5.036 4.350 -0.000 0.000 0.254 371 E C 0.504 177.085 176.600 -0.032 0.000 1.011 371 E CA -0.355 56.018 56.400 -0.045 0.000 0.873 371 E CB 2.065 31.747 29.700 -0.030 0.000 1.229 371 E HN 0.578 nan 8.360 nan 0.000 0.422 372 T N -2.898 111.643 114.554 -0.023 0.000 2.716 372 T HA 0.221 4.571 4.350 -0.000 0.000 0.286 372 T C 0.675 175.367 174.700 -0.012 0.000 1.052 372 T CA -0.654 61.435 62.100 -0.018 0.000 1.024 372 T CB 0.902 69.758 68.868 -0.020 0.000 1.349 372 T HN 0.394 nan 8.240 nan 0.000 0.525 373 E N 0.359 120.556 120.200 -0.005 0.000 2.511 373 E HA -0.041 4.309 4.350 -0.000 0.000 0.196 373 E C 0.138 176.738 176.600 -0.000 0.000 1.066 373 E CA 0.019 56.419 56.400 -0.000 0.000 0.871 373 E CB -0.298 29.407 29.700 0.008 0.000 0.863 373 E HN 0.735 nan 8.360 nan 0.000 0.520 374 D N 2.003 122.401 120.400 -0.004 0.000 2.414 374 D HA -0.027 4.613 4.640 -0.000 0.000 0.242 374 D C 0.233 176.529 176.300 -0.006 0.000 1.129 374 D CA 0.778 54.777 54.000 -0.002 0.000 0.885 374 D CB 1.061 41.857 40.800 -0.006 0.000 1.198 374 D HN 0.127 nan 8.370 nan 0.000 0.437 375 T N -0.446 114.109 114.554 0.000 0.000 3.252 375 T HA 0.090 4.440 4.350 -0.000 0.000 0.286 375 T C 1.384 176.088 174.700 0.008 0.000 1.013 375 T CA -0.344 61.753 62.100 -0.006 0.000 0.914 375 T CB 0.171 69.040 68.868 0.001 0.000 1.131 375 T HN 0.297 nan 8.240 nan 0.000 0.529 376 T N 3.288 117.850 114.554 0.013 0.000 2.699 376 T HA -0.130 4.220 4.350 -0.000 0.000 0.268 376 T C 1.876 176.594 174.700 0.030 0.000 1.036 376 T CA 1.934 64.051 62.100 0.027 0.000 1.147 376 T CB -0.610 68.270 68.868 0.021 0.000 0.862 376 T HN 0.798 nan 8.240 nan 0.000 0.446 377 I N 0.204 120.780 120.570 0.011 0.000 2.567 377 I HA 0.012 4.182 4.170 -0.000 0.000 0.257 377 I C 2.617 178.736 176.117 0.003 0.000 1.184 377 I CA 1.100 62.404 61.300 0.007 0.000 1.451 377 I CB -0.653 37.342 38.000 -0.008 0.000 1.089 377 I HN 0.130 nan 8.210 nan 0.000 0.441 378 A N 1.998 124.815 122.820 -0.005 0.000 1.855 378 A HA -0.211 4.109 4.320 -0.000 0.000 0.215 378 A C 1.822 179.426 177.584 0.032 0.000 1.191 378 A CA 2.234 54.268 52.037 -0.005 0.000 0.613 378 A CB -0.946 18.047 19.000 -0.011 0.000 0.829 378 A HN 0.486 nan 8.150 nan 0.000 0.442 379 D N -0.666 119.779 120.400 0.075 0.000 2.144 379 D HA -0.119 4.521 4.640 -0.000 0.000 0.199 379 D C 1.760 178.142 176.300 0.137 0.000 0.984 379 D CA 1.108 55.198 54.000 0.150 0.000 0.834 379 D CB -0.142 40.776 40.800 0.197 0.000 0.955 379 D HN 0.320 nan 8.370 nan 0.000 0.465 380 L N 0.667 121.946 121.223 0.094 0.000 2.056 380 L HA -0.139 4.201 4.340 -0.000 0.000 0.207 380 L C 2.123 179.042 176.870 0.081 0.000 1.078 380 L CA 1.701 56.593 54.840 0.087 0.000 0.749 380 L CB -0.866 41.230 42.059 0.061 0.000 0.901 380 L HN 0.087 nan 8.230 nan 0.000 0.433 381 S N -1.874 113.860 115.700 0.058 0.000 2.399 381 S HA -0.146 4.324 4.470 -0.000 0.000 0.231 381 S C 1.860 176.486 174.600 0.043 0.000 1.022 381 S CA 1.403 59.636 58.200 0.054 0.000 0.983 381 S CB -1.089 62.128 63.200 0.028 0.000 0.803 381 S HN 0.255 nan 8.310 nan 0.000 0.480 382 V N 2.243 122.171 119.914 0.024 0.000 2.407 382 V HA 0.061 4.181 4.120 -0.000 0.000 0.245 382 V C 3.132 179.255 176.094 0.047 0.000 1.041 382 V CA 1.260 63.548 62.300 -0.020 0.000 1.040 382 V CB -1.414 30.337 31.823 -0.120 0.000 0.671 382 V HN 0.642 nan 8.190 nan 0.000 0.455 383 A N -0.006 122.888 122.820 0.124 0.000 1.940 383 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 383 A C 2.106 179.745 177.584 0.092 0.000 1.176 383 A CA 1.767 53.888 52.037 0.140 0.000 0.631 383 A CB -0.496 18.591 19.000 0.144 0.000 0.814 383 A HN 0.523 nan 8.150 nan 0.000 0.446 384 L N -1.525 119.764 121.223 0.110 0.000 2.558 384 L HA 0.063 4.402 4.340 -0.000 0.000 0.225 384 L C 0.077 177.005 176.870 0.097 0.000 1.128 384 L CA 0.264 55.203 54.840 0.164 0.000 0.868 384 L CB -0.587 41.646 42.059 0.290 0.000 1.006 384 L HN 0.503 nan 8.230 nan 0.000 0.454 385 N N -0.472 118.247 118.700 0.032 0.000 2.727 385 N HA -0.233 4.506 4.740 -0.000 0.000 0.249 385 N C 1.304 176.826 175.510 0.020 0.000 1.048 385 N CA 0.455 53.476 53.050 -0.048 0.000 0.714 385 N CB -0.716 37.767 38.487 -0.006 0.000 0.959 385 N HN 0.481 nan 8.380 nan 0.000 0.544 386 S N -1.253 114.533 115.700 0.144 0.000 2.399 386 S HA 0.006 4.475 4.470 -0.000 0.000 0.231 386 S C 2.047 176.747 174.600 0.167 0.000 1.022 386 S CA 1.215 59.591 58.200 0.293 0.000 0.983 386 S CB -0.086 63.269 63.200 0.259 0.000 0.803 386 S HN 1.061 nan 8.310 nan 0.000 0.480 387 G N 0.858 109.684 108.800 0.043 0.000 2.234 387 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.260 387 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.260 387 G C -0.129 174.795 174.900 0.041 0.000 0.987 387 G CA 0.372 45.470 45.100 -0.003 0.000 0.625 387 G HN 0.957 nan 8.290 nan 0.000 0.532 388 Q N -0.922 118.921 119.800 0.072 0.000 2.391 388 Q HA 0.807 5.147 4.340 -0.000 0.000 0.279 388 Q C -1.035 174.981 176.000 0.027 0.000 1.028 388 Q CA -1.053 54.775 55.803 0.042 0.000 0.836 388 Q CB 2.650 31.429 28.738 0.068 0.000 1.414 388 Q HN 0.637 nan 8.270 nan 0.000 0.397 389 I N 0.611 121.180 120.570 -0.003 0.000 2.802 389 I HA 0.498 4.668 4.170 -0.000 0.000 0.298 389 I C -1.893 174.185 176.117 -0.065 0.000 1.176 389 I CA -0.769 60.517 61.300 -0.025 0.000 1.025 389 I CB 2.485 40.473 38.000 -0.020 0.000 1.243 389 I HN 0.705 nan 8.210 nan 0.000 0.424 390 K N 4.354 124.676 120.400 -0.131 0.000 2.521 390 K HA 0.364 4.684 4.320 -0.000 0.000 0.248 390 K C -0.711 175.534 176.600 -0.592 0.000 0.978 390 K CA -0.217 55.929 56.287 -0.235 0.000 0.947 390 K CB 1.324 33.736 32.500 -0.147 0.000 1.165 390 K HN 0.635 nan 8.250 nan 0.000 0.445 391 T N 2.103 116.302 114.554 -0.593 0.000 3.393 391 T HA 0.365 4.715 4.350 -0.000 0.000 0.298 391 T C -0.034 174.404 174.700 -0.438 0.000 1.004 391 T CA 0.422 62.046 62.100 -0.793 0.000 0.956 391 T CB -0.021 68.552 68.868 -0.492 0.000 1.182 391 T HN 0.937 nan 8.240 nan 0.000 0.497 392 G N 1.096 109.741 108.800 -0.259 0.000 2.655 392 G HA2 0.320 4.280 3.960 -0.000 0.000 0.680 392 G HA3 0.320 4.280 3.960 -0.000 0.000 0.680 392 G C -0.086 174.892 174.900 0.131 0.000 1.302 392 G CA -0.466 44.700 45.100 0.110 0.000 0.872 392 G HN 0.823 nan 8.290 nan 0.000 0.540 393 A N 0.489 123.334 122.820 0.042 0.000 2.346 393 A HA 0.749 5.069 4.320 -0.000 0.000 0.252 393 A C -1.014 176.476 177.584 -0.156 0.000 1.089 393 A CA -0.291 51.676 52.037 -0.117 0.000 0.797 393 A CB 0.330 19.194 19.000 -0.227 0.000 1.047 393 A HN 0.875 nan 8.150 nan 0.000 0.494 394 P HA 0.340 nan 4.420 nan 0.000 0.228 394 P C -0.569 176.494 177.300 -0.395 0.000 1.748 394 P CA 0.757 63.644 63.100 -0.355 0.000 0.909 394 P CB -0.354 31.081 31.700 -0.443 0.000 1.882 395 A N 0.678 123.317 122.820 -0.301 0.000 2.594 395 A HA 0.744 5.064 4.320 -0.000 0.000 0.295 395 A C -0.765 176.778 177.584 -0.069 0.000 1.071 395 A CA -0.729 51.194 52.037 -0.189 0.000 0.685 395 A CB 1.343 20.186 19.000 -0.262 0.000 1.285 395 A HN 0.136 nan 8.150 nan 0.000 0.405 396 R N -0.262 120.231 120.500 -0.013 0.000 1.124 396 R HA -0.138 4.201 4.340 -0.000 0.000 0.425 396 R C 1.031 177.338 176.300 0.011 0.000 1.336 396 R CA 0.451 56.554 56.100 0.005 0.000 0.984 396 R CB -1.126 29.172 30.300 -0.004 0.000 3.079 396 R HN 1.911 nan 8.270 nan 0.000 0.509 397 G N 2.685 111.495 108.800 0.017 0.000 2.475 397 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.220 397 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.220 397 G C 1.175 176.078 174.900 0.004 0.000 1.125 397 G CA 1.188 46.298 45.100 0.017 0.000 0.755 397 G HN 0.802 nan 8.290 nan 0.000 0.565 398 E N 0.545 120.744 120.200 -0.002 0.000 2.418 398 E HA -0.069 4.281 4.350 -0.000 0.000 0.197 398 E C 1.988 178.572 176.600 -0.027 0.000 1.026 398 E CA 0.433 56.826 56.400 -0.012 0.000 0.862 398 E CB -0.106 29.587 29.700 -0.011 0.000 0.799 398 E HN 0.331 nan 8.360 nan 0.000 0.518 399 R N 0.587 121.070 120.500 -0.027 0.000 2.119 399 R HA 0.072 4.412 4.340 -0.000 0.000 0.202 399 R C 2.638 178.861 176.300 -0.129 0.000 1.114 399 R CA 1.679 57.732 56.100 -0.080 0.000 1.089 399 R CB -1.421 28.881 30.300 0.004 0.000 1.000 399 R HN 0.394 nan 8.270 nan 0.000 0.487 400 T N 0.066 114.637 114.554 0.028 0.000 2.881 400 T HA -0.033 4.317 4.350 -0.000 0.000 0.270 400 T C 2.055 176.783 174.700 0.046 0.000 1.068 400 T CA 1.258 63.432 62.100 0.124 0.000 1.131 400 T CB -0.222 68.707 68.868 0.102 0.000 0.871 400 T HN 0.194 nan 8.240 nan 0.000 0.479 401 A N 1.870 124.684 122.820 -0.011 0.000 1.933 401 A HA -0.028 4.292 4.320 -0.000 0.000 0.218 401 A C 2.378 179.934 177.584 -0.047 0.000 1.175 401 A CA 1.642 53.672 52.037 -0.012 0.000 0.628 401 A CB -0.519 18.473 19.000 -0.012 0.000 0.814 401 A HN 0.463 nan 8.150 nan 0.000 0.444 402 K N -1.024 119.287 120.400 -0.147 0.000 2.057 402 K HA -0.047 4.272 4.320 -0.000 0.000 0.206 402 K C 1.669 178.164 176.600 -0.174 0.000 1.050 402 K CA 1.424 57.587 56.287 -0.207 0.000 0.935 402 K CB -0.572 31.711 32.500 -0.362 0.000 0.715 402 K HN 0.554 nan 8.250 nan 0.000 0.439 403 Y N 1.464 121.752 120.300 -0.020 0.000 2.181 403 Y HA -0.176 4.374 4.550 -0.000 0.000 0.288 403 Y C 1.847 177.737 175.900 -0.016 0.000 1.146 403 Y CA 1.036 59.120 58.100 -0.026 0.000 1.164 403 Y CB -0.637 37.800 38.460 -0.039 0.000 0.982 403 Y HN 0.137 nan 8.280 nan 0.000 0.515 404 N N -0.112 118.664 118.700 0.126 0.000 2.166 404 N HA -0.172 4.568 4.740 -0.000 0.000 0.186 404 N C 1.880 177.422 175.510 0.054 0.000 1.019 404 N CA 1.270 54.366 53.050 0.078 0.000 0.856 404 N CB -0.471 38.052 38.487 0.059 0.000 0.993 404 N HN 0.356 nan 8.380 nan 0.000 0.426 405 Q N 0.914 120.738 119.800 0.039 0.000 2.119 405 Q HA 0.070 4.410 4.340 -0.000 0.000 0.201 405 Q C 1.993 178.013 176.000 0.032 0.000 0.972 405 Q CA 1.038 56.863 55.803 0.036 0.000 0.847 405 Q CB -0.320 28.433 28.738 0.025 0.000 0.903 405 Q HN 0.362 nan 8.270 nan 0.000 0.433 406 L N -0.370 120.872 121.223 0.032 0.000 2.046 406 L HA -0.169 4.170 4.340 -0.000 0.000 0.208 406 L C 2.333 179.214 176.870 0.018 0.000 1.077 406 L CA 1.105 55.960 54.840 0.025 0.000 0.747 406 L CB -0.460 41.639 42.059 0.068 0.000 0.896 406 L HN 0.287 nan 8.230 nan 0.000 0.432 407 I N -0.530 120.061 120.570 0.036 0.000 2.226 407 I HA -0.300 3.870 4.170 -0.000 0.000 0.245 407 I C 2.764 178.892 176.117 0.018 0.000 1.100 407 I CA 1.283 62.596 61.300 0.020 0.000 1.374 407 I CB -0.287 37.729 38.000 0.026 0.000 1.057 407 I HN 0.227 nan 8.210 nan 0.000 0.413 408 R N 0.593 121.112 120.500 0.031 0.000 2.075 408 R HA -0.103 4.237 4.340 -0.000 0.000 0.232 408 R C 2.330 178.656 176.300 0.042 0.000 1.126 408 R CA 1.351 57.477 56.100 0.043 0.000 0.963 408 R CB -0.370 29.966 30.300 0.059 0.000 0.858 408 R HN 0.339 nan 8.270 nan 0.000 0.435 409 I N 0.783 121.360 120.570 0.011 0.000 2.226 409 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 409 I C 2.614 178.671 176.117 -0.100 0.000 1.100 409 I CA 1.339 62.592 61.300 -0.078 0.000 1.374 409 I CB -0.307 37.543 38.000 -0.250 0.000 1.057 409 I HN 0.273 nan 8.210 nan 0.000 0.413 410 E N 0.811 120.973 120.200 -0.063 0.000 2.085 410 E HA -0.281 4.068 4.350 -0.000 0.000 0.194 410 E C 2.198 178.799 176.600 0.001 0.000 0.994 410 E CA 1.382 57.762 56.400 -0.034 0.000 0.801 410 E CB 0.049 29.738 29.700 -0.019 0.000 0.743 410 E HN 0.530 nan 8.360 nan 0.000 0.453 411 Q N -0.045 119.763 119.800 0.014 0.000 2.123 411 Q HA -0.168 4.171 4.340 -0.000 0.000 0.199 411 Q C 2.118 178.149 176.000 0.052 0.000 0.966 411 Q CA 1.235 57.056 55.803 0.030 0.000 0.845 411 Q CB -0.054 28.702 28.738 0.030 0.000 0.907 411 Q HN 0.359 nan 8.270 nan 0.000 0.439 412 E N 0.923 121.168 120.200 0.074 0.000 2.150 412 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 412 E C 1.940 178.621 176.600 0.136 0.000 0.985 412 E CA 0.451 56.923 56.400 0.119 0.000 0.814 412 E CB 0.061 29.874 29.700 0.189 0.000 0.752 412 E HN 0.291 nan 8.360 nan 0.000 0.466 413 L N -0.589 120.702 121.223 0.114 0.000 2.083 413 L HA -0.103 4.237 4.340 -0.000 0.000 0.209 413 L C 2.063 178.990 176.870 0.096 0.000 1.083 413 L CA 1.164 56.078 54.840 0.124 0.000 0.752 413 L CB -0.442 41.662 42.059 0.074 0.000 0.899 413 L HN 0.533 nan 8.230 nan 0.000 0.433 414 G N -0.363 108.478 108.800 0.068 0.000 5.155 414 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.239 414 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.239 414 G C -0.020 174.909 174.900 0.048 0.000 1.409 414 G CA 0.087 45.219 45.100 0.053 0.000 0.927 414 G HN 0.082 nan 8.290 nan 0.000 0.710 415 L N 2.764 124.020 121.223 0.054 0.000 2.262 415 L HA 0.696 5.036 4.340 -0.000 0.000 0.288 415 L C 0.631 177.551 176.870 0.084 0.000 1.035 415 L CA 0.391 55.259 54.840 0.047 0.000 0.820 415 L CB 1.545 43.614 42.059 0.016 0.000 1.204 415 L HN 0.853 nan 8.230 nan 0.000 0.424 416 S N 2.163 117.924 115.700 0.101 0.000 2.667 416 S HA 0.815 5.285 4.470 -0.000 0.000 0.292 416 S C -0.825 173.875 174.600 0.167 0.000 1.126 416 S CA -0.988 57.306 58.200 0.157 0.000 0.881 416 S CB 2.312 65.562 63.200 0.083 0.000 1.132 416 S HN 0.431 nan 8.310 nan 0.000 0.492 417 K N 0.635 121.138 120.400 0.172 0.000 2.463 417 K HA 0.387 4.707 4.320 -0.000 0.000 0.255 417 K C -2.054 174.573 176.600 0.046 0.000 0.942 417 K CA -0.682 55.666 56.287 0.102 0.000 0.814 417 K CB 1.283 33.846 32.500 0.105 0.000 1.122 417 K HN 0.720 nan 8.250 nan 0.000 0.425 418 Y N 4.061 124.334 120.300 -0.046 0.000 2.365 418 Y HA 0.305 4.855 4.550 -0.000 0.000 0.340 418 Y C 0.893 176.758 175.900 -0.058 0.000 1.016 418 Y CA 0.044 58.112 58.100 -0.053 0.000 1.196 418 Y CB 1.273 39.714 38.460 -0.032 0.000 1.167 418 Y HN 0.826 nan 8.280 nan 0.000 0.509 419 A N 5.285 127.790 122.820 -0.526 0.000 1.948 419 A HA 0.038 4.358 4.320 -0.000 0.000 0.220 419 A C 2.013 179.352 177.584 -0.408 0.000 1.177 419 A CA 1.828 53.612 52.037 -0.421 0.000 0.636 419 A CB -1.558 17.252 19.000 -0.317 0.000 0.815 419 A HN 1.619 nan 8.150 nan 0.000 0.449 420 G N -0.989 107.340 108.800 -0.784 0.000 2.611 420 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.301 420 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.301 420 G C 0.891 175.777 174.900 -0.024 0.000 1.233 420 G CA 0.703 45.621 45.100 -0.304 0.000 0.993 420 G HN 0.591 nan 8.290 nan 0.000 0.553 421 R N 1.172 121.695 120.500 0.038 0.000 2.316 421 R HA 0.041 4.381 4.340 -0.000 0.000 0.202 421 R C 0.879 177.146 176.300 -0.055 0.000 1.029 421 R CA 0.755 56.911 56.100 0.093 0.000 1.018 421 R CB -0.155 30.173 30.300 0.048 0.000 0.888 421 R HN 0.380 nan 8.270 nan 0.000 0.471 422 N N 1.171 119.806 118.700 -0.108 0.000 2.451 422 N HA -0.007 4.733 4.740 -0.000 0.000 0.264 422 N C 0.648 176.025 175.510 -0.222 0.000 1.167 422 N CA -0.015 52.910 53.050 -0.208 0.000 0.898 422 N CB 0.187 38.587 38.487 -0.145 0.000 1.176 422 N HN 0.252 nan 8.380 nan 0.000 0.507 423 F N 0.507 120.386 119.950 -0.118 0.000 2.269 423 F HA 0.013 4.539 4.527 -0.000 0.000 0.301 423 F C 1.985 177.760 175.800 -0.041 0.000 1.082 423 F CA 0.607 58.538 58.000 -0.115 0.000 1.360 423 F CB -0.285 38.648 39.000 -0.110 0.000 1.041 423 F HN -0.097 nan 8.300 nan 0.000 0.512 424 R N -0.150 120.065 120.500 -0.474 0.000 2.062 424 R HA 0.006 4.346 4.340 -0.000 0.000 0.229 424 R C 0.215 176.501 176.300 -0.024 0.000 1.128 424 R CA 1.300 57.292 56.100 -0.180 0.000 0.960 424 R CB -0.715 29.384 30.300 -0.336 0.000 0.855 424 R HN 0.407 nan 8.270 nan 0.000 0.432 425 C N 2.386 121.639 119.300 -0.079 0.000 3.123 425 C HA 0.366 4.826 4.460 -0.000 0.000 0.284 425 C C -2.278 172.714 174.990 0.002 0.000 1.076 425 C CA -1.915 57.115 59.018 0.020 0.000 1.416 425 C CB 1.163 28.916 27.740 0.021 0.000 1.841 425 C HN 0.259 nan 8.230 nan 0.000 0.501 426 P HA 0.189 nan 4.420 nan 0.000 0.261 426 P C -0.407 176.592 177.300 -0.502 0.000 1.650 426 P CA 0.504 63.445 63.100 -0.264 0.000 0.846 426 P CB -0.396 31.079 31.700 -0.375 0.000 1.758 427 F N 0.000 119.896 119.950 -0.090 0.000 2.286 427 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 427 F CA 0.000 57.971 58.000 -0.049 0.000 1.383 427 F CB 0.000 38.961 39.000 -0.066 0.000 1.145 427 F HN 0.000 nan 8.300 nan 0.000 0.574