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 2cng_1_A DATA FIRST_RESID 3 DATA SEQUENCE MEKEFEQIDK SGSWAAIYQD IRHEASDFPC RVAKLPKNKN RNRYRDVSPF DATA SEQUENCE DHSRIKLHQE DNDYINASLI KMEEAQRSYI LTQGPLPNTC GHFWEMVWEQ DATA SEQUENCE KSRGVVMLNR VMEKGSLKCA QYWPQKEEKE MIFEDTNLKL TLISEDIKSY DATA SEQUENCE YTVRQLELEN LTTQETREIL HFHYTTWPDF GVPESPASFL NFLFKVRESG DATA SEQUENCE SLSPEHGPVV VHCSAGIGRS GTFCLADTCL LLMDKRKDPS SVDIKKVLLE DATA SEQUENCE MRKFRMGLIQ TADQLRFSYL AVIEGAKFIM GDSSVQDQWK ELSHEDL 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 3 M HA 0.000 nan 4.480 nan 0.000 0.227 3 M C 0.000 176.490 176.300 0.317 0.000 1.140 3 M CA 0.000 55.435 55.300 0.225 0.000 0.988 3 M CB 0.000 32.669 32.600 0.115 0.000 1.302 4 E N 1.630 121.951 120.200 0.202 0.000 2.047 4 E HA -0.180 4.170 4.350 -0.001 0.000 0.191 4 E C 1.561 178.301 176.600 0.233 0.000 0.987 4 E CA 2.068 58.585 56.400 0.196 0.000 0.799 4 E CB 0.079 29.837 29.700 0.097 0.000 0.752 4 E HN 0.619 nan 8.360 nan 0.000 0.449 5 K N 0.366 120.862 120.400 0.160 0.000 2.217 5 K HA -0.140 4.179 4.320 -0.001 0.000 0.202 5 K C 2.053 178.722 176.600 0.116 0.000 1.051 5 K CA 1.394 57.755 56.287 0.123 0.000 0.952 5 K CB -0.099 32.447 32.500 0.078 0.000 0.736 5 K HN 0.104 nan 8.250 nan 0.000 0.453 6 E N 0.710 121.000 120.200 0.150 0.000 2.106 6 E HA -0.179 4.171 4.350 -0.001 0.000 0.192 6 E C 1.771 178.398 176.600 0.045 0.000 0.984 6 E CA 0.628 57.088 56.400 0.100 0.000 0.806 6 E CB -0.147 29.661 29.700 0.180 0.000 0.750 6 E HN 0.404 nan 8.360 nan 0.000 0.458 7 F N 2.043 122.029 119.950 0.059 0.000 2.069 7 F HA -0.173 4.354 4.527 -0.001 0.000 0.298 7 F C 2.027 177.840 175.800 0.021 0.000 1.113 7 F CA 2.019 60.044 58.000 0.040 0.000 1.214 7 F CB -0.075 39.047 39.000 0.204 0.000 0.978 7 F HN 0.008 nan 8.300 nan 0.000 0.474 8 E N -0.473 119.861 120.200 0.223 0.000 2.110 8 E HA -0.303 4.046 4.350 -0.001 0.000 0.193 8 E C 2.058 178.616 176.600 -0.070 0.000 0.988 8 E CA 1.211 57.668 56.400 0.094 0.000 0.804 8 E CB -0.319 29.476 29.700 0.158 0.000 0.745 8 E HN 0.438 nan 8.360 nan 0.000 0.458 9 Q N 1.404 121.153 119.800 -0.085 0.000 2.050 9 Q HA -0.161 4.178 4.340 -0.001 0.000 0.202 9 Q C 1.877 177.722 176.000 -0.257 0.000 0.980 9 Q CA 1.569 57.293 55.803 -0.132 0.000 0.840 9 Q CB -0.290 28.386 28.738 -0.103 0.000 0.898 9 Q HN 0.342 nan 8.270 nan 0.000 0.424 10 I N 0.383 120.686 120.570 -0.444 0.000 2.252 10 I HA -0.217 3.953 4.170 -0.001 0.000 0.245 10 I C 1.754 177.477 176.117 -0.656 0.000 1.102 10 I CA 1.198 62.051 61.300 -0.745 0.000 1.385 10 I CB -0.346 36.788 38.000 -1.443 0.000 1.064 10 I HN 0.230 nan 8.210 nan 0.000 0.414 11 D N 1.054 121.173 120.400 -0.468 0.000 2.084 11 D HA -0.156 4.483 4.640 -0.001 0.000 0.194 11 D C 2.198 178.425 176.300 -0.122 0.000 0.990 11 D CA 1.101 54.994 54.000 -0.178 0.000 0.826 11 D CB -0.073 40.650 40.800 -0.128 0.000 0.971 11 D HN 0.015 nan 8.370 nan 0.000 0.453 12 K N 0.501 120.832 120.400 -0.115 0.000 2.059 12 K HA -0.105 4.214 4.320 -0.001 0.000 0.212 12 K C 2.049 178.599 176.600 -0.084 0.000 1.050 12 K CA 1.407 57.651 56.287 -0.073 0.000 0.927 12 K CB -0.847 31.616 32.500 -0.062 0.000 0.714 12 K HN 0.241 nan 8.250 nan 0.000 0.447 13 S N -0.762 114.860 115.700 -0.129 0.000 2.593 13 S HA 0.177 4.646 4.470 -0.001 0.000 0.217 13 S C 1.101 175.629 174.600 -0.120 0.000 0.966 13 S CA 0.362 58.492 58.200 -0.117 0.000 0.914 13 S CB 0.011 63.131 63.200 -0.133 0.000 0.776 13 S HN 0.404 nan 8.310 nan 0.000 0.523 14 G N 2.176 110.897 108.800 -0.131 0.000 2.366 14 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.299 14 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.299 14 G C 0.304 175.135 174.900 -0.114 0.000 1.020 14 G CA 0.384 45.436 45.100 -0.079 0.000 1.026 14 G HN 1.193 nan 8.290 nan 0.000 0.512 15 S N -2.204 113.334 115.700 -0.272 0.000 2.537 15 S HA 0.268 4.737 4.470 -0.001 0.000 0.246 15 S C 1.283 175.717 174.600 -0.278 0.000 1.036 15 S CA 0.127 58.183 58.200 -0.240 0.000 1.041 15 S CB -0.168 62.880 63.200 -0.254 0.000 0.799 15 S HN 0.528 nan 8.310 nan 0.000 0.456 16 W N 1.744 122.993 121.300 -0.084 0.000 2.358 16 W HA 0.011 4.670 4.660 -0.001 0.000 0.303 16 W C 2.677 179.213 176.519 0.029 0.000 1.208 16 W CA 0.972 58.277 57.345 -0.066 0.000 1.274 16 W CB -0.328 29.072 29.460 -0.100 0.000 1.138 16 W HN 0.525 nan 8.180 nan 0.000 0.515 17 A N 0.438 123.401 122.820 0.238 0.000 1.877 17 A HA -0.117 4.202 4.320 -0.001 0.000 0.216 17 A C 2.045 179.729 177.584 0.167 0.000 1.186 17 A CA 2.442 54.609 52.037 0.216 0.000 0.620 17 A CB -1.374 17.710 19.000 0.141 0.000 0.822 17 A HN 0.204 nan 8.150 nan 0.000 0.443 18 A N -0.026 122.837 122.820 0.072 0.000 1.908 18 A HA -0.092 4.227 4.320 -0.001 0.000 0.218 18 A C 2.033 179.637 177.584 0.033 0.000 1.181 18 A CA 1.684 53.734 52.037 0.023 0.000 0.627 18 A CB -0.528 18.455 19.000 -0.030 0.000 0.818 18 A HN 0.418 nan 8.150 nan 0.000 0.445 19 I N -1.604 118.985 120.570 0.032 0.000 2.226 19 I HA -0.223 3.947 4.170 -0.001 0.000 0.245 19 I C 2.422 178.644 176.117 0.175 0.000 1.100 19 I CA 1.641 62.975 61.300 0.057 0.000 1.374 19 I CB -1.456 36.538 38.000 -0.010 0.000 1.057 19 I HN 0.562 nan 8.210 nan 0.000 0.413 20 Y N 2.133 122.511 120.300 0.129 0.000 2.242 20 Y HA -0.210 4.340 4.550 -0.000 0.000 0.291 20 Y C 2.639 178.604 175.900 0.110 0.000 1.137 20 Y CA 1.503 59.692 58.100 0.148 0.000 1.181 20 Y CB -0.245 38.315 38.460 0.167 0.000 0.989 20 Y HN 0.167 nan 8.280 nan 0.000 0.527 21 Q N 0.349 120.135 119.800 -0.024 0.000 2.167 21 Q HA -0.158 4.181 4.340 -0.001 0.000 0.202 21 Q C 1.736 177.694 176.000 -0.070 0.000 0.970 21 Q CA 1.537 57.276 55.803 -0.108 0.000 0.855 21 Q CB -0.413 28.317 28.738 -0.012 0.000 0.911 21 Q HN 0.581 nan 8.270 nan 0.000 0.438 22 D N 0.343 120.731 120.400 -0.020 0.000 2.117 22 D HA -0.095 4.545 4.640 -0.001 0.000 0.197 22 D C 2.040 178.359 176.300 0.031 0.000 0.987 22 D CA 0.693 54.702 54.000 0.016 0.000 0.829 22 D CB -0.131 40.680 40.800 0.019 0.000 0.961 22 D HN 0.250 nan 8.370 nan 0.000 0.460 23 I N 0.885 121.453 120.570 -0.002 0.000 2.226 23 I HA -0.260 3.909 4.170 -0.001 0.000 0.245 23 I C 2.530 178.613 176.117 -0.056 0.000 1.100 23 I CA 1.074 62.373 61.300 -0.000 0.000 1.374 23 I CB -0.074 37.952 38.000 0.042 0.000 1.057 23 I HN -0.075 nan 8.210 nan 0.000 0.413 24 R N -0.513 119.884 120.500 -0.172 0.000 2.083 24 R HA -0.242 4.097 4.340 -0.001 0.000 0.237 24 R C 2.363 178.639 176.300 -0.040 0.000 1.137 24 R CA 1.847 57.858 56.100 -0.150 0.000 0.951 24 R CB -0.729 29.425 30.300 -0.242 0.000 0.851 24 R HN 0.416 nan 8.270 nan 0.000 0.434 25 H N 1.003 120.018 119.070 -0.092 0.000 2.387 25 H HA -0.070 4.485 4.556 -0.002 0.000 0.299 25 H C 1.367 176.663 175.328 -0.053 0.000 1.090 25 H CA 1.741 57.752 56.048 -0.061 0.000 1.332 25 H CB 0.196 29.927 29.762 -0.051 0.000 1.386 25 H HN 0.260 nan 8.280 nan 0.000 0.516 26 E N 0.047 120.240 120.200 -0.013 0.000 2.371 26 E HA 0.164 4.513 4.350 -0.001 0.000 0.194 26 E C 0.693 177.243 176.600 -0.083 0.000 1.012 26 E CA 0.202 56.568 56.400 -0.058 0.000 0.860 26 E CB 0.243 29.955 29.700 0.019 0.000 0.811 26 E HN 0.490 nan 8.360 nan 0.000 0.502 27 A N 1.457 124.239 122.820 -0.063 0.000 2.555 27 A HA 0.068 4.387 4.320 -0.001 0.000 0.233 27 A C 0.453 177.972 177.584 -0.109 0.000 1.060 27 A CA -0.087 51.926 52.037 -0.040 0.000 0.759 27 A CB 0.291 19.294 19.000 0.005 0.000 0.995 27 A HN 0.065 nan 8.150 nan 0.000 0.506 28 S N 0.511 116.138 115.700 -0.121 0.000 2.573 28 S HA 0.265 4.734 4.470 -0.001 0.000 0.277 28 S C -0.101 174.260 174.600 -0.397 0.000 1.346 28 S CA 0.191 58.171 58.200 -0.366 0.000 1.034 28 S CB 0.447 63.410 63.200 -0.396 0.000 0.879 28 S HN 0.741 nan 8.310 nan 0.000 0.528 29 D N 0.708 120.681 120.400 -0.712 0.000 2.575 29 D HA 0.517 5.156 4.640 -0.001 0.000 0.250 29 D C -1.510 174.320 176.300 -0.784 0.000 1.279 29 D CA -0.347 53.363 54.000 -0.484 0.000 0.925 29 D CB 0.300 40.939 40.800 -0.269 0.000 1.261 29 D HN 0.172 nan 8.370 nan 0.000 0.567 30 F N 2.927 122.553 119.950 -0.541 0.000 2.579 30 F HA 0.576 5.102 4.527 -0.001 0.000 0.324 30 F C -1.661 174.076 175.800 -0.106 0.000 1.058 30 F CA -1.925 55.799 58.000 -0.460 0.000 0.944 30 F CB 1.429 39.961 39.000 -0.780 0.000 1.245 30 F HN 0.110 nan 8.300 nan 0.000 0.477 31 P HA 0.120 nan 4.420 nan 0.000 0.272 31 P C -0.665 176.801 177.300 0.278 0.000 1.223 31 P CA -0.156 63.061 63.100 0.196 0.000 0.784 31 P CB 0.885 32.663 31.700 0.130 0.000 0.923 32 C N 2.252 121.685 119.300 0.221 0.000 2.955 32 C HA 0.275 4.735 4.460 -0.001 0.000 0.229 32 C C 2.062 177.110 174.990 0.097 0.000 1.842 32 C CA -0.391 58.746 59.018 0.198 0.000 1.539 32 C CB -1.122 26.736 27.740 0.196 0.000 2.869 32 C HN 0.665 nan 8.230 nan 0.000 0.503 33 R N 0.601 121.148 120.500 0.079 0.000 2.083 33 R HA -0.115 4.224 4.340 -0.001 0.000 0.237 33 R C 1.981 178.269 176.300 -0.020 0.000 1.137 33 R CA 1.554 57.672 56.100 0.029 0.000 0.951 33 R CB -0.285 30.035 30.300 0.034 0.000 0.851 33 R HN 0.467 nan 8.270 nan 0.000 0.434 34 V N 1.179 121.084 119.914 -0.014 0.000 2.255 34 V HA -0.271 3.848 4.120 -0.001 0.000 0.247 34 V C 2.525 178.429 176.094 -0.318 0.000 1.051 34 V CA 2.022 64.267 62.300 -0.091 0.000 1.018 34 V CB -0.894 30.939 31.823 0.016 0.000 0.641 34 V HN 0.435 nan 8.190 nan 0.000 0.445 35 A N -0.643 121.998 122.820 -0.299 0.000 1.948 35 A HA -0.223 4.096 4.320 -0.001 0.000 0.220 35 A C 2.130 179.523 177.584 -0.318 0.000 1.177 35 A CA 1.719 53.453 52.037 -0.505 0.000 0.636 35 A CB -0.382 18.607 19.000 -0.019 0.000 0.815 35 A HN 0.408 nan 8.150 nan 0.000 0.449 36 K N -0.344 119.965 120.400 -0.151 0.000 2.487 36 K HA 0.229 4.549 4.320 -0.001 0.000 0.192 36 K C 0.166 176.710 176.600 -0.092 0.000 1.027 36 K CA -0.057 56.179 56.287 -0.086 0.000 1.054 36 K CB -0.414 32.071 32.500 -0.024 0.000 0.824 36 K HN 0.498 nan 8.250 nan 0.000 0.510 37 L N 1.794 122.934 121.223 -0.137 0.000 2.485 37 L HA -0.000 4.339 4.340 -0.001 0.000 0.275 37 L C -1.180 175.637 176.870 -0.089 0.000 1.207 37 L CA -1.201 53.578 54.840 -0.101 0.000 0.855 37 L CB 0.124 42.114 42.059 -0.114 0.000 1.114 37 L HN -0.116 nan 8.230 nan 0.000 0.485 38 P HA -0.217 nan 4.420 nan 0.000 0.216 38 P C 1.113 178.393 177.300 -0.033 0.000 1.153 38 P CA 1.409 64.488 63.100 -0.034 0.000 0.858 38 P CB 0.071 31.759 31.700 -0.019 0.000 0.789 39 K N -0.761 119.619 120.400 -0.034 0.000 2.442 39 K HA -0.078 4.241 4.320 -0.001 0.000 0.198 39 K C 1.129 177.715 176.600 -0.023 0.000 1.042 39 K CA 1.573 57.848 56.287 -0.019 0.000 0.958 39 K CB -0.790 31.703 32.500 -0.012 0.000 0.766 39 K HN 0.192 nan 8.250 nan 0.000 0.474 40 N N 0.664 119.318 118.700 -0.076 0.000 2.236 40 N HA 0.031 4.771 4.740 -0.001 0.000 0.196 40 N C 1.111 176.591 175.510 -0.049 0.000 1.114 40 N CA -0.220 52.769 53.050 -0.101 0.000 0.859 40 N CB 0.336 38.578 38.487 -0.408 0.000 0.982 40 N HN 0.223 nan 8.380 nan 0.000 0.493 41 K N 1.959 122.340 120.400 -0.032 0.000 2.063 41 K HA -0.164 4.155 4.320 -0.001 0.000 0.208 41 K C 1.376 177.989 176.600 0.022 0.000 1.048 41 K CA 1.639 57.922 56.287 -0.007 0.000 0.928 41 K CB 0.033 32.530 32.500 -0.005 0.000 0.713 41 K HN 0.235 nan 8.250 nan 0.000 0.442 42 N N 0.417 119.137 118.700 0.033 0.000 2.521 42 N HA -0.104 4.636 4.740 -0.001 0.000 0.188 42 N C 0.676 176.228 175.510 0.070 0.000 1.146 42 N CA 0.647 53.722 53.050 0.041 0.000 0.893 42 N CB -0.003 38.507 38.487 0.039 0.000 0.975 42 N HN 0.233 nan 8.380 nan 0.000 0.451 43 R N -0.827 119.741 120.500 0.115 0.000 2.362 43 R HA 0.229 4.568 4.340 -0.001 0.000 0.227 43 R C -0.481 175.920 176.300 0.169 0.000 0.905 43 R CA -0.190 56.016 56.100 0.178 0.000 1.067 43 R CB 0.160 30.646 30.300 0.310 0.000 1.078 43 R HN 0.152 nan 8.270 nan 0.000 0.516 44 N N 1.007 119.779 118.700 0.119 0.000 2.408 44 N HA 0.104 4.843 4.740 -0.001 0.000 0.280 44 N C 0.242 175.741 175.510 -0.018 0.000 1.002 44 N CA -0.151 52.953 53.050 0.088 0.000 0.907 44 N CB 2.036 40.587 38.487 0.107 0.000 1.161 44 N HN 0.039 nan 8.380 nan 0.000 0.488 45 R N 2.110 122.550 120.500 -0.100 0.000 2.090 45 R HA -0.004 4.335 4.340 -0.001 0.000 0.228 45 R C -0.410 175.591 176.300 -0.500 0.000 1.110 45 R CA 1.347 57.236 56.100 -0.351 0.000 0.973 45 R CB 0.209 30.207 30.300 -0.503 0.000 0.869 45 R HN 0.490 nan 8.270 nan 0.000 0.440 46 Y N 0.001 120.323 120.300 0.037 0.000 2.391 46 Y HA 0.269 4.818 4.550 -0.001 0.000 0.341 46 Y C 0.571 176.495 175.900 0.039 0.000 0.965 46 Y CA -1.227 56.897 58.100 0.039 0.000 1.067 46 Y CB 1.681 40.165 38.460 0.040 0.000 1.199 46 Y HN -0.035 nan 8.280 nan 0.000 0.450 47 R N -0.202 120.408 120.500 0.183 0.000 2.193 47 R HA -0.118 4.222 4.340 -0.001 0.000 0.229 47 R C 0.087 176.452 176.300 0.109 0.000 1.110 47 R CA 1.942 58.111 56.100 0.115 0.000 0.988 47 R CB -0.160 30.191 30.300 0.084 0.000 0.871 47 R HN 0.628 nan 8.270 nan 0.000 0.458 48 D N 0.483 120.958 120.400 0.125 0.000 2.340 48 D HA 0.041 4.680 4.640 -0.001 0.000 0.217 48 D C -0.187 176.159 176.300 0.077 0.000 1.081 48 D CA -0.189 53.863 54.000 0.086 0.000 0.842 48 D CB 0.450 41.290 40.800 0.067 0.000 0.934 48 D HN 0.076 nan 8.370 nan 0.000 0.511 49 V N 0.774 120.753 119.914 0.108 0.000 2.357 49 V HA 0.438 4.557 4.120 -0.001 0.000 0.281 49 V C -0.458 175.682 176.094 0.077 0.000 1.015 49 V CA -0.533 61.813 62.300 0.075 0.000 0.827 49 V CB 1.328 33.210 31.823 0.098 0.000 1.018 49 V HN 0.057 nan 8.190 nan 0.000 0.432 50 S N 6.203 121.920 115.700 0.027 0.000 2.570 50 S HA 0.713 5.182 4.470 -0.001 0.000 0.286 50 S C -2.915 171.651 174.600 -0.056 0.000 1.099 50 S CA -1.157 57.070 58.200 0.046 0.000 0.913 50 S CB 2.913 66.160 63.200 0.077 0.000 1.085 50 S HN 0.573 nan 8.310 nan 0.000 0.480 51 P HA 0.421 nan 4.420 nan 0.000 0.288 51 P C -1.041 176.260 177.300 0.002 0.000 1.267 51 P CA -0.516 62.529 63.100 -0.091 0.000 0.815 51 P CB 0.320 32.014 31.700 -0.010 0.000 0.989 52 F N 1.346 121.322 119.950 0.043 0.000 2.506 52 F HA 0.026 4.553 4.527 -0.000 0.000 0.351 52 F C 1.913 177.704 175.800 -0.014 0.000 1.136 52 F CA 0.218 58.242 58.000 0.039 0.000 1.298 52 F CB -0.398 38.601 39.000 -0.003 0.000 1.145 52 F HN 0.306 nan 8.300 nan 0.000 0.593 53 D N 0.384 120.936 120.400 0.253 0.000 2.144 53 D HA -0.221 4.419 4.640 -0.001 0.000 0.199 53 D C 2.005 178.367 176.300 0.104 0.000 0.984 53 D CA 2.092 56.184 54.000 0.153 0.000 0.834 53 D CB -0.461 40.420 40.800 0.136 0.000 0.955 53 D HN 0.801 nan 8.370 nan 0.000 0.465 54 H N 0.095 119.196 119.070 0.051 0.000 2.457 54 H HA 0.038 4.594 4.556 -0.001 0.000 0.294 54 H C 1.451 176.810 175.328 0.053 0.000 1.064 54 H CA 1.731 57.765 56.048 -0.023 0.000 1.330 54 H CB -0.120 29.512 29.762 -0.216 0.000 1.395 54 H HN 0.056 nan 8.280 nan 0.000 0.541 55 S N 0.273 115.738 115.700 -0.392 0.000 2.629 55 S HA 0.149 4.618 4.470 -0.001 0.000 0.236 55 S C 0.694 175.275 174.600 -0.030 0.000 1.010 55 S CA -0.828 57.288 58.200 -0.140 0.000 0.981 55 S CB -0.032 63.095 63.200 -0.122 0.000 0.919 55 S HN 0.618 nan 8.310 nan 0.000 0.514 56 R N 1.141 121.632 120.500 -0.015 0.000 2.694 56 R HA 0.362 4.701 4.340 -0.001 0.000 0.268 56 R C -0.324 175.968 176.300 -0.013 0.000 1.061 56 R CA -0.548 55.549 56.100 -0.004 0.000 1.133 56 R CB 0.205 30.534 30.300 0.047 0.000 1.020 56 R HN 0.128 nan 8.270 nan 0.000 0.475 57 I N 2.501 123.037 120.570 -0.056 0.000 2.395 57 I HA 0.138 4.307 4.170 -0.001 0.000 0.289 57 I C 0.320 176.402 176.117 -0.059 0.000 1.023 57 I CA -0.312 60.951 61.300 -0.060 0.000 1.350 57 I CB 1.167 39.102 38.000 -0.108 0.000 1.409 57 I HN 0.647 nan 8.210 nan 0.000 0.507 58 K N 6.680 127.079 120.400 -0.001 0.000 2.185 58 K HA 0.539 4.858 4.320 -0.001 0.000 0.269 58 K C -0.573 176.061 176.600 0.057 0.000 0.987 58 K CA -0.699 55.604 56.287 0.027 0.000 0.865 58 K CB 1.806 34.346 32.500 0.066 0.000 1.090 58 K HN 0.402 nan 8.250 nan 0.000 0.450 59 L N 2.871 124.100 121.223 0.011 0.000 2.417 59 L HA 0.125 4.464 4.340 -0.001 0.000 0.268 59 L C 0.849 177.821 176.870 0.171 0.000 1.158 59 L CA -0.233 54.614 54.840 0.012 0.000 0.819 59 L CB 0.279 42.303 42.059 -0.057 0.000 1.112 59 L HN 0.658 nan 8.230 nan 0.000 0.458 60 H N 1.430 120.507 119.070 0.011 0.000 2.813 60 H HA 0.062 4.617 4.556 -0.001 0.000 0.312 60 H C -0.395 174.948 175.328 0.024 0.000 1.228 60 H CA -0.457 55.606 56.048 0.025 0.000 1.154 60 H CB 0.004 29.794 29.762 0.047 0.000 1.418 60 H HN 0.502 nan 8.280 nan 0.000 0.525 61 Q N -0.339 119.534 119.800 0.122 0.000 2.353 61 Q HA 0.220 4.559 4.340 -0.001 0.000 0.268 61 Q C 0.168 176.198 176.000 0.049 0.000 1.045 61 Q CA -0.917 54.931 55.803 0.075 0.000 0.811 61 Q CB 1.842 30.615 28.738 0.059 0.000 1.305 61 Q HN 0.044 nan 8.270 nan 0.000 0.447 62 E N 2.246 122.471 120.200 0.042 0.000 2.077 62 E HA -0.220 4.129 4.350 -0.001 0.000 0.193 62 E C 0.797 177.414 176.600 0.028 0.000 0.989 62 E CA 1.701 58.119 56.400 0.031 0.000 0.800 62 E CB -0.019 29.697 29.700 0.026 0.000 0.746 62 E HN 0.941 nan 8.360 nan 0.000 0.452 63 D N 0.749 121.168 120.400 0.031 0.000 2.156 63 D HA -0.161 4.478 4.640 -0.001 0.000 0.190 63 D C 0.410 176.725 176.300 0.024 0.000 0.998 63 D CA 1.280 55.298 54.000 0.030 0.000 0.842 63 D CB 0.181 41.004 40.800 0.039 0.000 0.974 63 D HN -0.046 nan 8.370 nan 0.000 0.447 64 N N -0.936 117.773 118.700 0.015 0.000 2.542 64 N HA 0.078 4.817 4.740 -0.001 0.000 0.288 64 N C -1.535 173.968 175.510 -0.013 0.000 1.115 64 N CA -0.422 52.634 53.050 0.010 0.000 0.924 64 N CB 1.493 39.985 38.487 0.009 0.000 1.526 64 N HN 0.069 nan 8.380 nan 0.000 0.515 65 D N 1.826 122.239 120.400 0.022 0.000 2.319 65 D HA -0.021 4.618 4.640 -0.001 0.000 0.230 65 D C -0.093 176.214 176.300 0.012 0.000 1.094 65 D CA 0.009 54.016 54.000 0.013 0.000 0.856 65 D CB -0.503 40.323 40.800 0.043 0.000 0.915 65 D HN 0.402 nan 8.370 nan 0.000 0.517 66 Y N 0.852 121.093 120.300 -0.099 0.000 2.316 66 Y HA 0.484 5.033 4.550 -0.001 0.000 0.331 66 Y C -0.670 175.155 175.900 -0.125 0.000 1.083 66 Y CA -1.049 56.999 58.100 -0.088 0.000 1.206 66 Y CB 0.634 39.059 38.460 -0.058 0.000 1.195 66 Y HN 0.012 nan 8.280 nan 0.000 0.497 67 I N 6.288 126.227 120.570 -1.051 0.000 2.692 67 I HA 0.250 4.419 4.170 -0.001 0.000 0.293 67 I C -1.220 174.287 176.117 -1.017 0.000 1.200 67 I CA -0.878 59.929 61.300 -0.821 0.000 1.036 67 I CB 1.570 39.343 38.000 -0.379 0.000 1.258 67 I HN 0.654 nan 8.210 nan 0.000 0.421 68 N N 6.493 124.806 118.700 -0.646 0.000 2.498 68 N HA 0.418 5.157 4.740 -0.001 0.000 0.277 68 N C -1.142 174.249 175.510 -0.198 0.000 1.208 68 N CA 0.328 53.202 53.050 -0.294 0.000 1.029 68 N CB 0.191 38.654 38.487 -0.040 0.000 1.403 68 N HN 0.661 nan 8.380 nan 0.000 0.500 69 A N 1.618 124.314 122.820 -0.206 0.000 2.589 69 A HA 0.631 4.950 4.320 -0.001 0.000 0.296 69 A C -1.008 176.513 177.584 -0.105 0.000 1.062 69 A CA -0.652 51.301 52.037 -0.141 0.000 0.686 69 A CB 1.201 20.097 19.000 -0.173 0.000 1.282 69 A HN 0.344 nan 8.150 nan 0.000 0.404 70 S N 0.399 116.060 115.700 -0.065 0.000 2.526 70 S HA 0.624 5.093 4.470 -0.001 0.000 0.293 70 S C -1.008 173.591 174.600 -0.001 0.000 1.092 70 S CA -0.492 57.691 58.200 -0.028 0.000 0.980 70 S CB 1.562 64.751 63.200 -0.019 0.000 1.048 70 S HN 1.050 nan 8.310 nan 0.000 0.483 71 L N 4.034 125.266 121.223 0.015 0.000 2.261 71 L HA 0.496 4.835 4.340 -0.001 0.000 0.289 71 L C -1.167 175.682 176.870 -0.035 0.000 1.059 71 L CA -0.261 54.573 54.840 -0.009 0.000 0.816 71 L CB 0.093 42.142 42.059 -0.017 0.000 1.191 71 L HN 0.484 nan 8.230 nan 0.000 0.431 72 I N 5.506 126.038 120.570 -0.063 0.000 2.287 72 I HA 0.240 4.409 4.170 -0.001 0.000 0.290 72 I C 0.264 176.123 176.117 -0.429 0.000 1.069 72 I CA -0.142 61.028 61.300 -0.218 0.000 1.237 72 I CB 0.356 38.400 38.000 0.073 0.000 1.418 72 I HN 0.621 nan 8.210 nan 0.000 0.481 73 K N 7.247 127.074 120.400 -0.955 0.000 2.299 73 K HA 0.353 4.672 4.320 -0.001 0.000 0.268 73 K C -0.504 175.787 176.600 -0.515 0.000 1.075 73 K CA -0.606 55.329 56.287 -0.586 0.000 0.936 73 K CB 0.574 32.840 32.500 -0.390 0.000 1.228 73 K HN 0.325 nan 8.250 nan 0.000 0.454 74 M N 3.895 123.348 119.600 -0.246 0.000 2.497 74 M HA 0.056 4.535 4.480 -0.001 0.000 0.336 74 M C 0.957 177.229 176.300 -0.047 0.000 1.378 74 M CA 0.226 55.479 55.300 -0.078 0.000 1.375 74 M CB 0.320 32.931 32.600 0.019 0.000 1.337 74 M HN 0.697 nan 8.290 nan 0.000 0.461 75 E N 2.477 122.674 120.200 -0.006 0.000 2.033 75 E HA -0.243 4.106 4.350 -0.001 0.000 0.199 75 E C 1.497 178.103 176.600 0.009 0.000 1.011 75 E CA 1.864 58.269 56.400 0.008 0.000 0.815 75 E CB 0.257 29.987 29.700 0.050 0.000 0.755 75 E HN 0.756 nan 8.360 nan 0.000 0.451 76 E N -0.456 119.761 120.200 0.029 0.000 2.051 76 E HA -0.195 4.154 4.350 -0.001 0.000 0.192 76 E C 1.866 178.473 176.600 0.011 0.000 0.991 76 E CA 0.980 57.394 56.400 0.024 0.000 0.799 76 E CB -0.137 29.585 29.700 0.037 0.000 0.748 76 E HN 0.323 nan 8.360 nan 0.000 0.449 77 A N 0.249 123.076 122.820 0.012 0.000 2.119 77 A HA -0.130 4.189 4.320 -0.001 0.000 0.217 77 A C 0.736 178.303 177.584 -0.028 0.000 1.153 77 A CA 0.997 53.035 52.037 0.002 0.000 0.692 77 A CB -0.179 18.832 19.000 0.019 0.000 0.799 77 A HN 0.443 nan 8.150 nan 0.000 0.458 78 Q N -1.888 117.886 119.800 -0.043 0.000 2.470 78 Q HA -0.194 4.145 4.340 -0.001 0.000 0.294 78 Q C -0.102 175.830 176.000 -0.113 0.000 1.356 78 Q CA 1.060 56.823 55.803 -0.067 0.000 0.805 78 Q CB -1.480 27.228 28.738 -0.050 0.000 1.157 78 Q HN 0.786 nan 8.270 nan 0.000 0.431 79 R N -0.178 120.224 120.500 -0.163 0.000 2.626 79 R HA 0.620 4.959 4.340 -0.001 0.000 0.274 79 R C -1.435 174.618 176.300 -0.412 0.000 1.031 79 R CA -0.354 55.568 56.100 -0.296 0.000 0.898 79 R CB 1.975 32.067 30.300 -0.345 0.000 1.222 79 R HN 0.059 nan 8.270 nan 0.000 0.455 80 S N 2.010 117.426 115.700 -0.474 0.000 2.536 80 S HA 0.652 5.121 4.470 -0.001 0.000 0.298 80 S C -1.691 172.587 174.600 -0.537 0.000 1.083 80 S CA -0.451 57.504 58.200 -0.408 0.000 0.995 80 S CB 1.044 64.108 63.200 -0.228 0.000 1.058 80 S HN 0.433 nan 8.310 nan 0.000 0.488 81 Y N 0.395 120.654 120.300 -0.067 0.000 2.553 81 Y HA 0.583 5.132 4.550 -0.001 0.000 0.347 81 Y C -0.333 175.538 175.900 -0.048 0.000 1.019 81 Y CA -0.926 57.157 58.100 -0.028 0.000 1.032 81 Y CB 1.063 39.536 38.460 0.022 0.000 1.284 81 Y HN 0.429 nan 8.280 nan 0.000 0.466 82 I N 3.659 124.298 120.570 0.116 0.000 2.339 82 I HA 0.277 4.446 4.170 -0.001 0.000 0.290 82 I C -1.237 174.901 176.117 0.034 0.000 0.994 82 I CA -0.617 60.697 61.300 0.024 0.000 1.191 82 I CB 1.044 39.010 38.000 -0.058 0.000 1.343 82 I HN 0.314 nan 8.210 nan 0.000 0.458 83 L N 6.300 127.537 121.223 0.023 0.000 2.296 83 L HA 0.560 4.899 4.340 -0.001 0.000 0.286 83 L C 0.124 176.987 176.870 -0.012 0.000 1.023 83 L CA 0.199 55.046 54.840 0.012 0.000 0.812 83 L CB 1.706 43.769 42.059 0.007 0.000 1.223 83 L HN 0.510 nan 8.230 nan 0.000 0.421 84 T N 2.014 116.573 114.554 0.009 0.000 2.883 84 T HA 0.466 4.816 4.350 -0.001 0.000 0.296 84 T C -0.877 173.837 174.700 0.024 0.000 1.117 84 T CA -0.679 61.416 62.100 -0.009 0.000 1.006 84 T CB 1.332 70.178 68.868 -0.037 0.000 1.191 84 T HN 0.653 nan 8.240 nan 0.000 0.508 85 Q N 1.359 121.154 119.800 -0.009 0.000 2.382 85 Q HA 0.545 4.884 4.340 -0.001 0.000 0.229 85 Q C 0.558 176.503 176.000 -0.092 0.000 1.006 85 Q CA -0.783 55.025 55.803 0.007 0.000 0.916 85 Q CB 0.148 28.895 28.738 0.015 0.000 1.235 85 Q HN 0.749 nan 8.270 nan 0.000 0.512 86 G N 1.906 110.668 108.800 -0.063 0.000 2.343 86 G HA2 0.301 4.260 3.960 -0.001 0.000 0.254 86 G HA3 0.301 4.260 3.960 -0.001 0.000 0.254 86 G C -2.363 172.359 174.900 -0.297 0.000 1.277 86 G CA -0.977 43.980 45.100 -0.239 0.000 0.909 86 G HN 0.490 nan 8.290 nan 0.000 0.502 87 P HA 0.094 nan 4.420 nan 0.000 0.267 87 P C 0.058 177.243 177.300 -0.192 0.000 1.200 87 P CA -0.081 62.794 63.100 -0.376 0.000 0.772 87 P CB 0.751 32.066 31.700 -0.642 0.000 0.855 88 L N 4.733 125.882 121.223 -0.123 0.000 2.387 88 L HA 0.329 4.668 4.340 -0.001 0.000 0.266 88 L C -1.200 175.642 176.870 -0.047 0.000 1.059 88 L CA -2.027 52.769 54.840 -0.075 0.000 0.801 88 L CB 0.641 42.666 42.059 -0.057 0.000 1.223 88 L HN 0.262 nan 8.230 nan 0.000 0.456 89 P HA -0.171 nan 4.420 nan 0.000 0.217 89 P C 0.570 177.867 177.300 -0.006 0.000 1.148 89 P CA 1.285 64.383 63.100 -0.004 0.000 0.834 89 P CB -0.008 31.688 31.700 -0.006 0.000 0.783 90 N N -1.850 116.836 118.700 -0.023 0.000 2.336 90 N HA -0.011 4.728 4.740 -0.001 0.000 0.189 90 N C 0.699 176.121 175.510 -0.147 0.000 1.113 90 N CA 1.003 54.026 53.050 -0.046 0.000 0.858 90 N CB -0.895 37.589 38.487 -0.005 0.000 0.970 90 N HN 0.175 nan 8.380 nan 0.000 0.471 91 T N -4.090 110.391 114.554 -0.123 0.000 3.132 91 T HA 0.239 4.588 4.350 -0.001 0.000 0.274 91 T C 1.398 175.995 174.700 -0.172 0.000 1.011 91 T CA -0.328 61.666 62.100 -0.176 0.000 0.899 91 T CB -0.936 67.966 68.868 0.057 0.000 1.089 91 T HN 0.105 nan 8.240 nan 0.000 0.543 92 C N 1.363 120.587 119.300 -0.125 0.000 2.440 92 C HA 0.205 4.664 4.460 -0.001 0.000 0.278 92 C C 3.041 177.895 174.990 -0.226 0.000 1.295 92 C CA 0.799 59.749 59.018 -0.114 0.000 1.738 92 C CB -1.298 26.530 27.740 0.146 0.000 1.987 92 C HN 0.772 nan 8.230 nan 0.000 0.492 93 G N -0.567 108.136 108.800 -0.162 0.000 2.408 93 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.217 93 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.217 93 G C 1.129 176.008 174.900 -0.036 0.000 1.150 93 G CA 0.726 45.753 45.100 -0.121 0.000 0.776 93 G HN 0.727 nan 8.290 nan 0.000 0.542 94 H N -1.226 117.832 119.070 -0.020 0.000 2.321 94 H HA -0.029 4.526 4.556 -0.001 0.000 0.300 94 H C 2.212 177.476 175.328 -0.106 0.000 1.087 94 H CA 1.049 57.068 56.048 -0.048 0.000 1.319 94 H CB -0.144 29.587 29.762 -0.053 0.000 1.379 94 H HN 0.351 nan 8.280 nan 0.000 0.501 95 F N 0.515 120.337 119.950 -0.213 0.000 2.065 95 F HA -0.275 4.251 4.527 -0.001 0.000 0.298 95 F C 1.591 177.106 175.800 -0.475 0.000 1.112 95 F CA 1.551 59.280 58.000 -0.452 0.000 1.212 95 F CB -0.449 38.113 39.000 -0.731 0.000 0.975 95 F HN 0.127 nan 8.300 nan 0.000 0.476 96 W N 0.743 122.014 121.300 -0.049 0.000 2.467 96 W HA -0.054 4.605 4.660 -0.001 0.000 0.275 96 W C 2.522 179.008 176.519 -0.055 0.000 1.239 96 W CA 1.021 58.312 57.345 -0.089 0.000 1.266 96 W CB -0.447 28.914 29.460 -0.166 0.000 1.112 96 W HN 0.143 nan 8.180 nan 0.000 0.576 97 E N 0.756 121.022 120.200 0.110 0.000 2.106 97 E HA -0.274 4.075 4.350 -0.001 0.000 0.192 97 E C 2.113 178.722 176.600 0.014 0.000 0.984 97 E CA 1.470 57.927 56.400 0.095 0.000 0.806 97 E CB -0.289 29.451 29.700 0.067 0.000 0.750 97 E HN 0.322 nan 8.360 nan 0.000 0.458 98 M N 0.276 119.800 119.600 -0.127 0.000 2.099 98 M HA -0.151 4.328 4.480 -0.001 0.000 0.262 98 M C 2.103 178.273 176.300 -0.216 0.000 1.067 98 M CA 1.312 56.477 55.300 -0.224 0.000 1.124 98 M CB 0.016 32.416 32.600 -0.333 0.000 1.353 98 M HN 0.049 nan 8.290 nan 0.000 0.410 99 V N 0.228 119.983 119.914 -0.265 0.000 2.287 99 V HA -0.330 3.789 4.120 -0.001 0.000 0.248 99 V C 2.163 178.254 176.094 -0.005 0.000 1.053 99 V CA 2.329 64.531 62.300 -0.162 0.000 1.027 99 V CB -1.118 30.672 31.823 -0.055 0.000 0.646 99 V HN 0.773 nan 8.190 nan 0.000 0.447 100 W N 1.132 122.414 121.300 -0.029 0.000 2.354 100 W HA -0.169 4.490 4.660 -0.001 0.000 0.315 100 W C 2.388 178.867 176.519 -0.066 0.000 1.206 100 W CA 2.136 59.476 57.345 -0.009 0.000 1.290 100 W CB -0.255 29.217 29.460 0.020 0.000 1.152 100 W HN 0.366 nan 8.180 nan 0.000 0.489 101 E N -0.240 119.989 120.200 0.048 0.000 2.077 101 E HA -0.251 4.098 4.350 -0.001 0.000 0.193 101 E C 1.964 178.457 176.600 -0.179 0.000 0.989 101 E CA 1.203 57.513 56.400 -0.150 0.000 0.800 101 E CB -0.331 29.044 29.700 -0.541 0.000 0.746 101 E HN 0.185 nan 8.360 nan 0.000 0.452 102 Q N 0.349 120.047 119.800 -0.170 0.000 2.444 102 Q HA 0.015 4.354 4.340 -0.001 0.000 0.206 102 Q C -0.022 175.900 176.000 -0.129 0.000 0.948 102 Q CA 0.323 56.049 55.803 -0.127 0.000 0.946 102 Q CB 0.210 28.870 28.738 -0.131 0.000 1.027 102 Q HN 0.235 nan 8.270 nan 0.000 0.513 103 K N 0.268 120.552 120.400 -0.193 0.000 3.069 103 K HA -0.119 4.200 4.320 -0.001 0.000 0.267 103 K C -0.470 176.049 176.600 -0.136 0.000 1.082 103 K CA 0.367 56.524 56.287 -0.216 0.000 0.782 103 K CB -1.905 30.499 32.500 -0.160 0.000 1.230 103 K HN 0.085 nan 8.250 nan 0.000 0.488 104 S N 0.234 115.861 115.700 -0.122 0.000 2.572 104 S HA 0.157 4.626 4.470 -0.001 0.000 0.279 104 S C 1.269 175.809 174.600 -0.101 0.000 1.341 104 S CA -0.325 57.825 58.200 -0.084 0.000 1.043 104 S CB 1.541 64.693 63.200 -0.080 0.000 0.887 104 S HN 0.450 nan 8.310 nan 0.000 0.516 105 R N 1.298 121.712 120.500 -0.144 0.000 2.279 105 R HA 0.296 4.635 4.340 -0.001 0.000 0.195 105 R C 0.522 176.793 176.300 -0.048 0.000 0.905 105 R CA 0.625 56.578 56.100 -0.245 0.000 1.044 105 R CB 0.022 29.860 30.300 -0.771 0.000 1.056 105 R HN 0.665 nan 8.270 nan 0.000 0.535 106 G N -0.425 108.401 108.800 0.043 0.000 2.612 106 G HA2 0.580 4.539 3.960 -0.001 0.000 0.298 106 G HA3 0.580 4.539 3.960 -0.001 0.000 0.298 106 G C -1.800 173.221 174.900 0.201 0.000 1.336 106 G CA -0.495 44.720 45.100 0.192 0.000 0.953 106 G HN -0.003 nan 8.290 nan 0.000 0.482 107 V N 0.920 121.008 119.914 0.289 0.000 2.531 107 V HA 0.508 4.628 4.120 -0.001 0.000 0.301 107 V C -0.435 175.788 176.094 0.215 0.000 1.034 107 V CA -0.703 61.766 62.300 0.282 0.000 0.865 107 V CB 1.780 33.894 31.823 0.484 0.000 0.995 107 V HN 0.584 nan 8.190 nan 0.000 0.424 108 V N 6.053 126.004 119.914 0.062 0.000 2.357 108 V HA 0.502 4.621 4.120 -0.001 0.000 0.284 108 V C -0.106 175.820 176.094 -0.280 0.000 1.018 108 V CA -0.328 61.914 62.300 -0.097 0.000 0.841 108 V CB 1.497 33.093 31.823 -0.380 0.000 0.991 108 V HN 0.911 nan 8.190 nan 0.000 0.437 109 M N 5.907 125.303 119.600 -0.341 0.000 2.167 109 M HA 0.524 5.004 4.480 -0.001 0.000 0.333 109 M C -0.561 175.572 176.300 -0.278 0.000 1.030 109 M CA -0.401 54.543 55.300 -0.594 0.000 0.963 109 M CB 1.287 33.530 32.600 -0.594 0.000 1.589 109 M HN 0.576 nan 8.290 nan 0.000 0.431 110 L N 4.438 125.444 121.223 -0.362 0.000 2.808 110 L HA 0.288 4.627 4.340 -0.001 0.000 0.246 110 L C 0.315 177.095 176.870 -0.149 0.000 1.153 110 L CA -0.399 54.296 54.840 -0.242 0.000 0.956 110 L CB -0.575 41.153 42.059 -0.551 0.000 1.270 110 L HN 0.718 nan 8.230 nan 0.000 0.528 111 N N -0.143 118.532 118.700 -0.042 0.000 2.966 111 N HA 0.489 5.228 4.740 -0.001 0.000 0.314 111 N C -0.699 174.975 175.510 0.272 0.000 1.397 111 N CA -0.815 52.274 53.050 0.065 0.000 0.776 111 N CB 1.661 40.166 38.487 0.031 0.000 1.576 111 N HN -0.086 nan 8.380 nan 0.000 0.592 112 R N -0.717 119.935 120.500 0.252 0.000 2.832 112 R HA 0.452 4.791 4.340 -0.001 0.000 0.271 112 R C 1.125 177.584 176.300 0.265 0.000 0.996 112 R CA -0.914 55.383 56.100 0.329 0.000 0.977 112 R CB 1.973 32.414 30.300 0.236 0.000 1.168 112 R HN 0.276 nan 8.270 nan 0.000 0.482 113 V N 1.132 121.215 119.914 0.282 0.000 2.469 113 V HA -0.150 3.970 4.120 -0.001 0.000 0.251 113 V C 0.894 177.068 176.094 0.134 0.000 1.064 113 V CA 1.632 64.050 62.300 0.197 0.000 1.066 113 V CB -0.246 31.661 31.823 0.140 0.000 0.667 113 V HN 0.615 nan 8.190 nan 0.000 0.461 114 M N -0.114 119.562 119.600 0.128 0.000 2.263 114 M HA 0.457 4.936 4.480 -0.001 0.000 0.295 114 M C -1.440 174.922 176.300 0.104 0.000 1.028 114 M CA -0.222 55.137 55.300 0.098 0.000 0.921 114 M CB 2.074 34.718 32.600 0.073 0.000 1.601 114 M HN 0.097 nan 8.290 nan 0.000 0.440 115 E N 4.250 124.509 120.200 0.099 0.000 2.246 115 E HA 0.334 4.684 4.350 -0.001 0.000 0.266 115 E C -0.884 175.767 176.600 0.086 0.000 0.880 115 E CA -0.893 55.565 56.400 0.097 0.000 0.762 115 E CB 1.509 31.272 29.700 0.106 0.000 1.180 115 E HN 0.551 nan 8.360 nan 0.000 0.416 116 K N 1.286 121.731 120.400 0.075 0.000 3.148 116 K HA -0.256 4.063 4.320 -0.001 0.000 0.267 116 K C 0.661 177.296 176.600 0.058 0.000 0.996 116 K CA 1.029 57.354 56.287 0.064 0.000 0.737 116 K CB -1.903 30.638 32.500 0.069 0.000 1.308 116 K HN 1.164 nan 8.250 nan 0.000 0.470 117 G N -0.730 108.103 108.800 0.055 0.000 2.189 117 G HA2 -0.387 3.572 3.960 -0.001 0.000 0.267 117 G HA3 -0.387 3.572 3.960 -0.001 0.000 0.267 117 G C 0.056 174.986 174.900 0.051 0.000 0.975 117 G CA 0.998 46.127 45.100 0.047 0.000 0.644 117 G HN 1.103 nan 8.290 nan 0.000 0.537 118 S N -0.484 115.254 115.700 0.064 0.000 2.536 118 S HA 0.799 5.268 4.470 -0.001 0.000 0.298 118 S C -0.372 174.272 174.600 0.074 0.000 1.083 118 S CA -1.180 57.060 58.200 0.067 0.000 0.995 118 S CB 2.500 65.747 63.200 0.080 0.000 1.058 118 S HN 0.484 nan 8.310 nan 0.000 0.488 119 L N 2.599 123.858 121.223 0.061 0.000 2.410 119 L HA 0.384 4.723 4.340 -0.001 0.000 0.273 119 L C 1.173 178.087 176.870 0.073 0.000 1.152 119 L CA 0.641 55.515 54.840 0.057 0.000 0.855 119 L CB 0.259 42.336 42.059 0.030 0.000 1.129 119 L HN 0.846 nan 8.230 nan 0.000 0.463 120 K N 1.721 122.176 120.400 0.091 0.000 2.450 120 K HA 0.240 4.559 4.320 -0.001 0.000 0.206 120 K C -0.253 176.405 176.600 0.096 0.000 1.148 120 K CA 0.146 56.503 56.287 0.117 0.000 1.014 120 K CB 0.705 33.291 32.500 0.142 0.000 0.966 120 K HN 0.557 nan 8.250 nan 0.000 0.566 121 C N 0.647 120.000 119.300 0.089 0.000 3.247 121 C HA 0.649 5.109 4.460 -0.001 0.000 0.375 121 C C -0.887 174.157 174.990 0.091 0.000 1.102 121 C CA -0.810 58.262 59.018 0.090 0.000 1.227 121 C CB 0.901 28.759 27.740 0.196 0.000 1.586 121 C HN 0.467 nan 8.230 nan 0.000 0.544 122 A N 3.053 125.909 122.820 0.061 0.000 2.332 122 A HA 0.555 4.875 4.320 -0.001 0.000 0.258 122 A C 0.048 177.688 177.584 0.094 0.000 1.087 122 A CA 0.056 52.126 52.037 0.054 0.000 0.802 122 A CB 0.286 19.303 19.000 0.027 0.000 1.042 122 A HN 1.006 nan 8.150 nan 0.000 0.489 123 Q N 1.046 120.818 119.800 -0.047 0.000 2.664 123 Q HA 0.246 4.585 4.340 -0.001 0.000 0.223 123 Q C -0.192 175.705 176.000 -0.173 0.000 1.298 123 Q CA 0.274 55.894 55.803 -0.304 0.000 0.965 123 Q CB -0.589 27.943 28.738 -0.344 0.000 1.510 123 Q HN 0.710 nan 8.270 nan 0.000 0.567 124 Y N 1.168 121.452 120.300 -0.027 0.000 2.490 124 Y HA 0.305 4.855 4.550 -0.001 0.000 0.281 124 Y C -0.510 175.715 175.900 0.543 0.000 1.174 124 Y CA -1.057 57.182 58.100 0.232 0.000 1.295 124 Y CB -0.285 38.185 38.460 0.016 0.000 1.062 124 Y HN 0.397 nan 8.280 nan 0.000 0.522 125 W N -0.041 121.175 121.300 -0.140 0.000 2.962 125 W HA 0.789 5.448 4.660 -0.001 0.000 0.341 125 W C -3.283 173.172 176.519 -0.105 0.000 1.155 125 W CA -3.300 53.984 57.345 -0.101 0.000 1.165 125 W CB 0.659 29.898 29.460 -0.370 0.000 1.435 125 W HN -0.359 nan 8.180 nan 0.000 0.546 126 P HA 0.148 nan 4.420 nan 0.000 0.276 126 P C -0.028 177.207 177.300 -0.109 0.000 1.235 126 P CA 0.042 63.058 63.100 -0.141 0.000 0.772 126 P CB 1.361 33.024 31.700 -0.061 0.000 0.871 127 Q N 1.146 120.829 119.800 -0.196 0.000 2.398 127 Q HA 0.060 4.400 4.340 -0.001 0.000 0.204 127 Q C 0.064 176.057 176.000 -0.012 0.000 0.932 127 Q CA 0.874 56.632 55.803 -0.076 0.000 0.916 127 Q CB 0.180 28.836 28.738 -0.136 0.000 1.024 127 Q HN 0.456 nan 8.270 nan 0.000 0.504 128 K N -0.260 120.118 120.400 -0.037 0.000 2.427 128 K HA 0.180 4.499 4.320 -0.001 0.000 0.252 128 K C -0.285 176.301 176.600 -0.023 0.000 0.931 128 K CA -0.393 55.880 56.287 -0.023 0.000 0.793 128 K CB 1.814 34.292 32.500 -0.037 0.000 1.211 128 K HN -0.171 nan 8.250 nan 0.000 0.426 129 E N 1.569 121.761 120.200 -0.012 0.000 2.070 129 E HA -0.263 4.086 4.350 -0.001 0.000 0.197 129 E C 1.440 178.023 176.600 -0.029 0.000 1.004 129 E CA 1.740 58.130 56.400 -0.016 0.000 0.805 129 E CB 0.165 29.858 29.700 -0.011 0.000 0.744 129 E HN 0.600 nan 8.360 nan 0.000 0.451 130 E N 0.801 120.983 120.200 -0.031 0.000 2.482 130 E HA -0.108 4.242 4.350 -0.001 0.000 0.196 130 E C -0.073 176.497 176.600 -0.050 0.000 1.047 130 E CA 0.619 56.996 56.400 -0.037 0.000 0.869 130 E CB 0.112 29.793 29.700 -0.032 0.000 0.836 130 E HN 0.093 nan 8.360 nan 0.000 0.520 131 K N 2.831 123.195 120.400 -0.059 0.000 2.606 131 K HA 0.107 4.427 4.320 -0.001 0.000 0.196 131 K C 0.102 176.644 176.600 -0.096 0.000 1.048 131 K CA -0.345 55.895 56.287 -0.078 0.000 1.017 131 K CB 0.977 33.428 32.500 -0.082 0.000 1.413 131 K HN 0.180 nan 8.250 nan 0.000 0.568 132 E N 2.816 122.958 120.200 -0.097 0.000 2.392 132 E HA 0.151 4.501 4.350 -0.001 0.000 0.256 132 E C -0.444 176.054 176.600 -0.171 0.000 1.145 132 E CA -0.072 56.259 56.400 -0.116 0.000 0.929 132 E CB 0.881 30.520 29.700 -0.101 0.000 0.998 132 E HN 0.238 nan 8.360 nan 0.000 0.442 133 M N 1.302 120.766 119.600 -0.226 0.000 2.364 133 M HA 0.405 4.884 4.480 -0.001 0.000 0.334 133 M C -0.553 175.430 176.300 -0.528 0.000 1.107 133 M CA -0.929 54.128 55.300 -0.405 0.000 0.988 133 M CB 1.749 34.058 32.600 -0.486 0.000 1.673 133 M HN 0.325 nan 8.290 nan 0.000 0.441 134 I N 3.016 123.238 120.570 -0.579 0.000 2.406 134 I HA 0.362 4.531 4.170 -0.001 0.000 0.290 134 I C -1.157 174.599 176.117 -0.601 0.000 0.999 134 I CA -0.501 60.530 61.300 -0.448 0.000 1.124 134 I CB 1.344 39.205 38.000 -0.233 0.000 1.289 134 I HN 0.591 nan 8.210 nan 0.000 0.441 135 F N 5.062 124.998 119.950 -0.024 0.000 2.291 135 F HA 0.362 4.888 4.527 -0.001 0.000 0.368 135 F C 1.609 177.404 175.800 -0.009 0.000 1.085 135 F CA -0.504 57.499 58.000 0.006 0.000 1.165 135 F CB 0.464 39.501 39.000 0.062 0.000 1.429 135 F HN 0.505 nan 8.300 nan 0.000 0.503 136 E N 1.178 121.411 120.200 0.054 0.000 2.085 136 E HA -0.230 4.120 4.350 -0.001 0.000 0.194 136 E C 1.723 178.359 176.600 0.059 0.000 0.994 136 E CA 1.596 58.015 56.400 0.032 0.000 0.801 136 E CB -0.023 29.677 29.700 -0.001 0.000 0.743 136 E HN 0.672 nan 8.360 nan 0.000 0.453 137 D N 0.208 120.657 120.400 0.081 0.000 2.221 137 D HA -0.149 4.491 4.640 -0.001 0.000 0.204 137 D C 1.428 177.786 176.300 0.097 0.000 0.982 137 D CA 1.424 55.473 54.000 0.082 0.000 0.857 137 D CB -0.406 40.441 40.800 0.079 0.000 0.934 137 D HN 0.099 nan 8.370 nan 0.000 0.475 138 T N -0.857 113.769 114.554 0.120 0.000 3.023 138 T HA 0.084 4.434 4.350 -0.001 0.000 0.253 138 T C 0.624 175.354 174.700 0.049 0.000 1.038 138 T CA -0.040 62.122 62.100 0.102 0.000 0.962 138 T CB -0.256 68.691 68.868 0.131 0.000 1.018 138 T HN 0.330 nan 8.240 nan 0.000 0.521 139 N N 0.964 119.691 118.700 0.045 0.000 2.758 139 N HA -0.134 4.605 4.740 -0.001 0.000 0.248 139 N C -1.032 174.449 175.510 -0.048 0.000 1.076 139 N CA -0.040 53.003 53.050 -0.012 0.000 0.696 139 N CB -0.931 37.529 38.487 -0.044 0.000 0.979 139 N HN 0.414 nan 8.380 nan 0.000 0.550 140 L N 0.368 121.613 121.223 0.038 0.000 2.341 140 L HA 0.529 4.868 4.340 -0.001 0.000 0.267 140 L C -0.058 176.859 176.870 0.078 0.000 1.009 140 L CA -0.738 54.117 54.840 0.024 0.000 0.819 140 L CB 2.072 44.194 42.059 0.106 0.000 1.323 140 L HN 0.031 nan 8.230 nan 0.000 0.425 141 K N 2.140 122.537 120.400 -0.005 0.000 2.371 141 K HA 0.697 5.016 4.320 -0.001 0.000 0.251 141 K C -1.884 174.681 176.600 -0.058 0.000 0.934 141 K CA -0.672 55.587 56.287 -0.048 0.000 0.798 141 K CB 2.210 34.665 32.500 -0.076 0.000 1.204 141 K HN 0.386 nan 8.250 nan 0.000 0.427 142 L N 2.685 123.851 121.223 -0.095 0.000 2.406 142 L HA 0.517 4.857 4.340 -0.001 0.000 0.272 142 L C -1.506 175.289 176.870 -0.124 0.000 0.980 142 L CA 0.150 54.897 54.840 -0.155 0.000 0.831 142 L CB 2.220 44.138 42.059 -0.235 0.000 1.253 142 L HN 0.677 nan 8.230 nan 0.000 0.406 143 T N 5.162 119.656 114.554 -0.099 0.000 2.841 143 T HA 0.481 4.831 4.350 -0.001 0.000 0.283 143 T C -0.970 173.704 174.700 -0.042 0.000 1.000 143 T CA -0.397 61.664 62.100 -0.065 0.000 0.977 143 T CB 1.570 70.407 68.868 -0.051 0.000 0.979 143 T HN 0.530 nan 8.240 nan 0.000 0.446 144 L N 4.721 125.933 121.223 -0.019 0.000 2.313 144 L HA 0.336 4.675 4.340 -0.001 0.000 0.282 144 L C 0.581 177.451 176.870 -0.000 0.000 1.092 144 L CA -0.003 54.843 54.840 0.010 0.000 0.831 144 L CB -0.114 41.970 42.059 0.042 0.000 1.159 144 L HN 0.588 nan 8.230 nan 0.000 0.442 145 I N 2.376 122.945 120.570 -0.002 0.000 2.628 145 I HA 0.153 4.322 4.170 -0.001 0.000 0.255 145 I C 0.868 176.985 176.117 -0.000 0.000 1.119 145 I CA 1.088 62.386 61.300 -0.004 0.000 1.448 145 I CB -0.940 37.056 38.000 -0.006 0.000 1.133 145 I HN 0.802 nan 8.210 nan 0.000 0.438 146 S N -0.434 115.268 115.700 0.002 0.000 2.615 146 S HA 0.544 5.013 4.470 -0.001 0.000 0.268 146 S C -0.980 173.623 174.600 0.005 0.000 1.146 146 S CA -0.862 57.340 58.200 0.003 0.000 0.818 146 S CB 2.918 66.117 63.200 -0.002 0.000 1.111 146 S HN 0.177 nan 8.310 nan 0.000 0.465 147 E N -0.179 120.024 120.200 0.006 0.000 2.308 147 E HA 0.442 4.791 4.350 -0.001 0.000 0.275 147 E C -2.285 174.308 176.600 -0.012 0.000 0.890 147 E CA -0.427 55.977 56.400 0.007 0.000 0.754 147 E CB 1.845 31.566 29.700 0.035 0.000 1.207 147 E HN 0.603 nan 8.360 nan 0.000 0.426 148 D N 4.626 125.009 120.400 -0.029 0.000 2.461 148 D HA 0.308 4.947 4.640 -0.001 0.000 0.240 148 D C -0.900 175.341 176.300 -0.098 0.000 1.094 148 D CA -0.390 53.581 54.000 -0.050 0.000 0.868 148 D CB 0.454 41.231 40.800 -0.038 0.000 1.062 148 D HN 0.400 nan 8.370 nan 0.000 0.530 149 I N 3.656 124.166 120.570 -0.100 0.000 2.312 149 I HA 0.214 4.383 4.170 -0.001 0.000 0.291 149 I C 0.849 176.834 176.117 -0.219 0.000 1.031 149 I CA -0.328 60.885 61.300 -0.146 0.000 1.293 149 I CB 0.863 38.815 38.000 -0.080 0.000 1.403 149 I HN 0.038 nan 8.210 nan 0.000 0.484 150 K N 2.826 122.989 120.400 -0.395 0.000 2.303 150 K HA 0.324 4.643 4.320 -0.001 0.000 0.233 150 K C 1.153 177.576 176.600 -0.295 0.000 1.046 150 K CA -0.488 55.540 56.287 -0.433 0.000 0.895 150 K CB 1.463 33.453 32.500 -0.851 0.000 1.220 150 K HN 0.586 nan 8.250 nan 0.000 0.470 151 S N -0.131 115.486 115.700 -0.138 0.000 2.383 151 S HA -0.222 4.247 4.470 -0.001 0.000 0.229 151 S C 1.554 176.197 174.600 0.072 0.000 1.030 151 S CA 1.574 59.784 58.200 0.016 0.000 1.002 151 S CB -0.382 62.900 63.200 0.136 0.000 0.829 151 S HN 0.740 nan 8.310 nan 0.000 0.467 152 Y N -0.132 120.109 120.300 -0.098 0.000 2.563 152 Y HA 0.585 5.134 4.550 -0.001 0.000 0.250 152 Y C -0.004 175.810 175.900 -0.143 0.000 1.126 152 Y CA -1.886 56.154 58.100 -0.099 0.000 1.231 152 Y CB -0.338 38.066 38.460 -0.093 0.000 1.288 152 Y HN 0.419 nan 8.280 nan 0.000 0.537 153 Y N -1.943 118.004 120.300 -0.589 0.000 2.624 153 Y HA 0.829 5.378 4.550 -0.001 0.000 0.334 153 Y C -1.358 174.413 175.900 -0.214 0.000 1.155 153 Y CA -1.768 56.064 58.100 -0.447 0.000 1.046 153 Y CB 1.272 39.422 38.460 -0.516 0.000 1.316 153 Y HN -0.122 nan 8.280 nan 0.000 0.457 154 T N 2.187 116.734 114.554 -0.012 0.000 2.893 154 T HA 0.626 4.975 4.350 -0.001 0.000 0.293 154 T C -1.491 173.274 174.700 0.109 0.000 1.027 154 T CA -0.726 61.346 62.100 -0.046 0.000 0.988 154 T CB 1.825 70.682 68.868 -0.018 0.000 1.043 154 T HN 0.616 nan 8.240 nan 0.000 0.461 155 V N 3.926 123.856 119.914 0.026 0.000 2.409 155 V HA 0.546 4.666 4.120 -0.001 0.000 0.291 155 V C -0.088 175.946 176.094 -0.099 0.000 1.020 155 V CA -0.843 61.412 62.300 -0.075 0.000 0.848 155 V CB 1.481 33.272 31.823 -0.053 0.000 0.990 155 V HN 0.705 nan 8.190 nan 0.000 0.430 156 R N 3.408 123.832 120.500 -0.126 0.000 2.711 156 R HA 0.583 4.922 4.340 -0.001 0.000 0.284 156 R C -0.824 175.422 176.300 -0.090 0.000 0.968 156 R CA -0.770 55.296 56.100 -0.057 0.000 0.924 156 R CB 2.347 32.652 30.300 0.008 0.000 1.162 156 R HN 0.630 nan 8.270 nan 0.000 0.465 157 Q N 2.722 122.491 119.800 -0.051 0.000 2.347 157 Q HA 0.410 4.750 4.340 -0.001 0.000 0.262 157 Q C -1.106 174.881 176.000 -0.021 0.000 0.980 157 Q CA -0.380 55.397 55.803 -0.043 0.000 0.867 157 Q CB 1.194 29.913 28.738 -0.031 0.000 1.242 157 Q HN 0.401 nan 8.270 nan 0.000 0.453 158 L N 2.065 123.277 121.223 -0.017 0.000 2.342 158 L HA 0.562 4.901 4.340 -0.001 0.000 0.271 158 L C -0.377 176.480 176.870 -0.023 0.000 1.008 158 L CA -0.770 54.054 54.840 -0.027 0.000 0.818 158 L CB 2.055 44.085 42.059 -0.047 0.000 1.296 158 L HN 0.557 nan 8.230 nan 0.000 0.427 159 E N 2.348 122.527 120.200 -0.035 0.000 2.145 159 E HA 0.439 4.788 4.350 -0.001 0.000 0.270 159 E C -1.683 174.901 176.600 -0.027 0.000 0.906 159 E CA -0.813 55.582 56.400 -0.009 0.000 0.761 159 E CB 1.921 31.620 29.700 -0.001 0.000 1.116 159 E HN 0.385 nan 8.360 nan 0.000 0.408 160 L N 4.217 125.461 121.223 0.034 0.000 2.296 160 L HA 0.451 4.790 4.340 -0.001 0.000 0.286 160 L C -0.939 176.032 176.870 0.170 0.000 1.023 160 L CA -0.152 54.724 54.840 0.061 0.000 0.812 160 L CB 1.511 43.673 42.059 0.173 0.000 1.223 160 L HN 0.640 nan 8.230 nan 0.000 0.421 161 E N 3.714 123.933 120.200 0.032 0.000 2.210 161 E HA 0.227 4.577 4.350 -0.001 0.000 0.266 161 E C -1.117 175.321 176.600 -0.270 0.000 0.883 161 E CA -0.762 55.613 56.400 -0.041 0.000 0.761 161 E CB 1.187 30.867 29.700 -0.033 0.000 1.156 161 E HN 0.627 nan 8.360 nan 0.000 0.412 162 N N 5.532 123.907 118.700 -0.541 0.000 2.402 162 N HA 0.061 4.800 4.740 -0.001 0.000 0.252 162 N C 0.821 176.150 175.510 -0.301 0.000 1.118 162 N CA 0.101 52.735 53.050 -0.694 0.000 0.945 162 N CB 0.646 38.507 38.487 -1.043 0.000 1.147 162 N HN 0.669 nan 8.380 nan 0.000 0.495 163 L N 2.342 123.440 121.223 -0.208 0.000 2.265 163 L HA -0.137 4.202 4.340 -0.001 0.000 0.215 163 L C 1.881 178.694 176.870 -0.094 0.000 1.117 163 L CA 0.952 55.721 54.840 -0.118 0.000 0.782 163 L CB -0.349 41.658 42.059 -0.087 0.000 0.914 163 L HN 0.490 nan 8.230 nan 0.000 0.441 164 T N -1.400 113.086 114.554 -0.113 0.000 2.737 164 T HA -0.148 4.201 4.350 -0.001 0.000 0.265 164 T C 1.889 176.561 174.700 -0.048 0.000 1.038 164 T CA 1.981 64.039 62.100 -0.070 0.000 1.144 164 T CB -0.259 68.567 68.868 -0.069 0.000 0.866 164 T HN 0.527 nan 8.240 nan 0.000 0.434 165 T N -1.642 112.879 114.554 -0.056 0.000 3.037 165 T HA 0.206 4.555 4.350 -0.001 0.000 0.251 165 T C 1.102 175.805 174.700 0.005 0.000 1.079 165 T CA 0.533 62.629 62.100 -0.005 0.000 1.067 165 T CB -0.046 68.846 68.868 0.039 0.000 0.948 165 T HN 0.230 nan 8.240 nan 0.000 0.496 166 Q N 0.335 120.120 119.800 -0.024 0.000 2.385 166 Q HA -0.170 4.169 4.340 -0.001 0.000 0.215 166 Q C -0.032 175.993 176.000 0.042 0.000 0.671 166 Q CA 1.146 56.947 55.803 -0.004 0.000 1.335 166 Q CB -1.781 26.961 28.738 0.006 0.000 1.425 166 Q HN 0.893 nan 8.270 nan 0.000 0.781 167 E N 0.582 120.835 120.200 0.088 0.000 2.354 167 E HA 0.336 4.686 4.350 -0.001 0.000 0.269 167 E C -0.243 176.522 176.600 0.274 0.000 1.036 167 E CA 0.621 57.147 56.400 0.210 0.000 0.876 167 E CB 0.696 30.618 29.700 0.370 0.000 1.009 167 E HN 0.276 nan 8.360 nan 0.000 0.416 168 T N 2.018 116.717 114.554 0.242 0.000 2.908 168 T HA 0.672 5.021 4.350 -0.001 0.000 0.290 168 T C -0.315 174.510 174.700 0.210 0.000 1.034 168 T CA -1.016 61.223 62.100 0.231 0.000 1.010 168 T CB 1.581 70.517 68.868 0.114 0.000 1.068 168 T HN 0.494 nan 8.240 nan 0.000 0.481 169 R N 0.453 121.076 120.500 0.204 0.000 2.698 169 R HA 0.450 4.789 4.340 -0.001 0.000 0.275 169 R C -1.089 175.250 176.300 0.065 0.000 1.001 169 R CA -0.847 55.304 56.100 0.085 0.000 0.896 169 R CB 2.479 32.768 30.300 -0.017 0.000 1.218 169 R HN 0.863 nan 8.270 nan 0.000 0.462 170 E N 3.658 123.873 120.200 0.024 0.000 2.200 170 E HA 0.231 4.580 4.350 -0.001 0.000 0.283 170 E C -0.678 175.927 176.600 0.008 0.000 1.015 170 E CA -0.495 55.914 56.400 0.015 0.000 0.819 170 E CB 0.762 30.466 29.700 0.006 0.000 1.081 170 E HN 0.278 nan 8.360 nan 0.000 0.397 171 I N 5.900 126.491 120.570 0.035 0.000 2.406 171 I HA 0.266 4.435 4.170 -0.001 0.000 0.290 171 I C -0.121 176.024 176.117 0.047 0.000 0.999 171 I CA -0.779 60.568 61.300 0.078 0.000 1.124 171 I CB 1.190 39.316 38.000 0.210 0.000 1.289 171 I HN 0.609 nan 8.210 nan 0.000 0.441 172 L N 5.700 126.931 121.223 0.014 0.000 2.312 172 L HA 0.390 4.729 4.340 -0.001 0.000 0.281 172 L C 0.177 176.956 176.870 -0.152 0.000 1.070 172 L CA -0.434 54.310 54.840 -0.160 0.000 0.805 172 L CB 0.942 42.858 42.059 -0.239 0.000 1.174 172 L HN 0.527 nan 8.230 nan 0.000 0.434 173 H N 3.796 122.623 119.070 -0.405 0.000 2.587 173 H HA 0.353 4.908 4.556 -0.001 0.000 0.325 173 H C -1.520 173.555 175.328 -0.420 0.000 1.012 173 H CA -0.657 55.232 56.048 -0.266 0.000 1.213 173 H CB 1.091 30.718 29.762 -0.224 0.000 1.431 173 H HN 0.377 nan 8.280 nan 0.000 0.492 174 F N 4.614 124.441 119.950 -0.205 0.000 2.332 174 F HA 0.177 4.703 4.527 -0.001 0.000 0.368 174 F C 0.382 176.192 175.800 0.017 0.000 1.110 174 F CA -0.537 57.424 58.000 -0.064 0.000 1.087 174 F CB 0.601 39.488 39.000 -0.187 0.000 1.235 174 F HN 0.541 nan 8.300 nan 0.000 0.470 175 H N 3.619 122.725 119.070 0.059 0.000 2.623 175 H HA 0.200 4.756 4.556 -0.001 0.000 0.299 175 H C -1.244 174.160 175.328 0.126 0.000 1.052 175 H CA -0.903 55.121 56.048 -0.040 0.000 1.231 175 H CB 0.648 30.296 29.762 -0.191 0.000 1.389 175 H HN 0.586 nan 8.280 nan 0.000 0.469 176 Y N 4.939 125.272 120.300 0.054 0.000 2.539 176 Y HA 0.009 4.558 4.550 -0.001 0.000 0.352 176 Y C 1.217 177.092 175.900 -0.042 0.000 1.004 176 Y CA -0.080 57.890 58.100 -0.218 0.000 1.278 176 Y CB 0.832 38.994 38.460 -0.497 0.000 1.136 176 Y HN 0.707 nan 8.280 nan 0.000 0.528 177 T N -1.665 112.902 114.554 0.021 0.000 3.107 177 T HA -0.006 4.343 4.350 -0.001 0.000 0.249 177 T C 0.925 175.724 174.700 0.166 0.000 1.096 177 T CA 0.713 62.802 62.100 -0.019 0.000 1.012 177 T CB -0.268 68.477 68.868 -0.204 0.000 0.977 177 T HN 0.616 nan 8.240 nan 0.000 0.527 178 T N -2.637 112.123 114.554 0.342 0.000 3.296 178 T HA 0.242 4.591 4.350 -0.001 0.000 0.285 178 T C -0.487 174.430 174.700 0.363 0.000 1.014 178 T CA -0.813 61.470 62.100 0.304 0.000 0.920 178 T CB -0.358 68.659 68.868 0.249 0.000 1.143 178 T HN 0.375 nan 8.240 nan 0.000 0.522 179 W N 5.224 126.609 121.300 0.141 0.000 2.317 179 W HA 0.423 5.082 4.660 -0.001 0.000 0.327 179 W C -2.747 173.726 176.519 -0.076 0.000 1.036 179 W CA -3.404 53.877 57.345 -0.107 0.000 1.419 179 W CB 1.017 30.239 29.460 -0.397 0.000 1.253 179 W HN 0.110 nan 8.180 nan 0.000 0.392 180 P HA -0.055 nan 4.420 nan 0.000 0.268 180 P C -0.062 177.319 177.300 0.136 0.000 1.205 180 P CA 0.107 63.315 63.100 0.181 0.000 0.771 180 P CB 1.097 32.873 31.700 0.127 0.000 0.858 181 D N 1.985 122.428 120.400 0.072 0.000 2.488 181 D HA -0.055 4.584 4.640 -0.001 0.000 0.238 181 D C 0.422 176.793 176.300 0.117 0.000 1.138 181 D CA 0.281 54.280 54.000 -0.001 0.000 0.873 181 D CB -0.387 40.462 40.800 0.081 0.000 1.183 181 D HN 0.304 nan 8.370 nan 0.000 0.458 182 F N -0.324 119.592 119.950 -0.057 0.000 3.048 182 F HA -0.220 4.307 4.527 -0.002 0.000 0.287 182 F C 1.100 176.892 175.800 -0.014 0.000 0.796 182 F CA 1.113 59.087 58.000 -0.045 0.000 1.111 182 F CB -1.462 37.514 39.000 -0.039 0.000 1.320 182 F HN 0.379 nan 8.300 nan 0.000 0.430 183 G N -0.820 108.062 108.800 0.137 0.000 3.075 183 G HA2 0.766 4.725 3.960 -0.001 0.000 0.253 183 G HA3 0.766 4.725 3.960 -0.001 0.000 0.253 183 G C -0.623 174.368 174.900 0.151 0.000 1.353 183 G CA -0.072 45.100 45.100 0.119 0.000 1.051 183 G HN 0.669 nan 8.290 nan 0.000 0.553 184 V N -3.321 116.528 119.914 -0.109 0.000 3.126 184 V HA 0.790 4.910 4.120 -0.001 0.000 0.314 184 V C -2.813 172.669 176.094 -1.021 0.000 1.138 184 V CA -2.473 59.477 62.300 -0.584 0.000 1.034 184 V CB 1.581 33.032 31.823 -0.620 0.000 1.075 184 V HN 0.532 nan 8.190 nan 0.000 0.442 185 P HA 0.175 nan 4.420 nan 0.000 0.271 185 P C 0.739 177.690 177.300 -0.582 0.000 1.233 185 P CA 0.067 62.438 63.100 -1.215 0.000 0.789 185 P CB 0.551 31.513 31.700 -1.230 0.000 0.951 186 E N 0.656 120.683 120.200 -0.289 0.000 2.160 186 E HA -0.120 4.230 4.350 -0.001 0.000 0.195 186 E C -0.049 176.504 176.600 -0.078 0.000 0.991 186 E CA 1.014 57.321 56.400 -0.155 0.000 0.810 186 E CB 0.099 29.723 29.700 -0.126 0.000 0.742 186 E HN 0.501 nan 8.360 nan 0.000 0.466 187 S N -2.750 112.936 115.700 -0.023 0.000 2.587 187 S HA 0.276 4.745 4.470 -0.001 0.000 0.269 187 S C -2.575 172.140 174.600 0.192 0.000 1.154 187 S CA -1.164 57.088 58.200 0.087 0.000 0.824 187 S CB 1.622 64.819 63.200 -0.004 0.000 1.118 187 S HN -0.225 nan 8.310 nan 0.000 0.462 188 P HA 0.004 nan 4.420 nan 0.000 0.215 188 P C 1.708 178.915 177.300 -0.155 0.000 1.153 188 P CA 2.298 65.305 63.100 -0.155 0.000 0.853 188 P CB -0.216 31.283 31.700 -0.336 0.000 0.788 189 A N 0.137 122.858 122.820 -0.165 0.000 1.908 189 A HA -0.234 4.085 4.320 -0.001 0.000 0.218 189 A C 2.373 179.893 177.584 -0.106 0.000 1.181 189 A CA 2.636 54.550 52.037 -0.205 0.000 0.627 189 A CB -1.683 17.327 19.000 0.017 0.000 0.818 189 A HN 0.355 nan 8.150 nan 0.000 0.445 190 S N -1.374 114.294 115.700 -0.053 0.000 2.406 190 S HA -0.115 4.355 4.470 -0.001 0.000 0.228 190 S C 1.809 176.529 174.600 0.201 0.000 1.020 190 S CA 1.237 59.398 58.200 -0.066 0.000 0.965 190 S CB -0.688 62.234 63.200 -0.462 0.000 0.798 190 S HN 0.581 nan 8.310 nan 0.000 0.488 191 F N 2.534 122.541 119.950 0.094 0.000 2.113 191 F HA 0.169 4.695 4.527 -0.001 0.000 0.297 191 F C 1.852 177.748 175.800 0.160 0.000 1.103 191 F CA 1.079 59.199 58.000 0.200 0.000 1.248 191 F CB -0.405 38.682 39.000 0.144 0.000 0.999 191 F HN 0.122 nan 8.300 nan 0.000 0.475 192 L N 0.337 121.432 121.223 -0.213 0.000 2.093 192 L HA -0.208 4.131 4.340 -0.001 0.000 0.208 192 L C 2.240 178.954 176.870 -0.259 0.000 1.085 192 L CA 1.607 56.148 54.840 -0.500 0.000 0.755 192 L CB -0.968 40.310 42.059 -1.301 0.000 0.904 192 L HN 0.259 nan 8.230 nan 0.000 0.435 193 N N 0.302 118.943 118.700 -0.098 0.000 2.120 193 N HA -0.273 4.466 4.740 -0.001 0.000 0.188 193 N C 1.775 177.307 175.510 0.036 0.000 1.024 193 N CA 1.413 54.527 53.050 0.106 0.000 0.852 193 N CB -0.213 38.408 38.487 0.223 0.000 1.003 193 N HN 0.240 nan 8.380 nan 0.000 0.424 194 F N 0.474 120.318 119.950 -0.176 0.000 2.084 194 F HA -0.061 4.465 4.527 -0.001 0.000 0.296 194 F C 2.020 177.675 175.800 -0.243 0.000 1.111 194 F CA 0.999 58.783 58.000 -0.361 0.000 1.224 194 F CB -0.716 38.163 39.000 -0.203 0.000 0.991 194 F HN 0.161 nan 8.300 nan 0.000 0.471 195 L N -0.257 120.854 121.223 -0.185 0.000 2.042 195 L HA -0.221 4.118 4.340 -0.001 0.000 0.210 195 L C 1.951 178.651 176.870 -0.284 0.000 1.076 195 L CA 1.947 56.620 54.840 -0.277 0.000 0.749 195 L CB -1.295 40.496 42.059 -0.447 0.000 0.893 195 L HN 0.140 nan 8.230 nan 0.000 0.432 196 F N -0.252 119.512 119.950 -0.310 0.000 2.407 196 F HA -0.059 4.468 4.527 -0.001 0.000 0.299 196 F C 2.408 178.067 175.800 -0.234 0.000 1.097 196 F CA 1.214 59.073 58.000 -0.235 0.000 1.422 196 F CB -0.548 38.370 39.000 -0.137 0.000 1.067 196 F HN 0.120 nan 8.300 nan 0.000 0.539 197 K N 0.545 120.848 120.400 -0.161 0.000 2.057 197 K HA -0.079 4.240 4.320 -0.001 0.000 0.206 197 K C 1.942 178.318 176.600 -0.373 0.000 1.050 197 K CA 1.259 57.433 56.287 -0.188 0.000 0.935 197 K CB -0.573 31.778 32.500 -0.248 0.000 0.715 197 K HN 0.073 nan 8.250 nan 0.000 0.439 198 V N 1.060 120.528 119.914 -0.743 0.000 2.295 198 V HA -0.229 3.890 4.120 -0.001 0.000 0.246 198 V C 2.361 178.137 176.094 -0.529 0.000 1.049 198 V CA 2.052 63.708 62.300 -1.074 0.000 1.024 198 V CB -0.495 30.743 31.823 -0.975 0.000 0.648 198 V HN 0.300 nan 8.190 nan 0.000 0.447 199 R N 0.018 120.274 120.500 -0.407 0.000 2.073 199 R HA -0.168 4.172 4.340 -0.001 0.000 0.234 199 R C 2.302 178.488 176.300 -0.190 0.000 1.134 199 R CA 1.777 57.689 56.100 -0.313 0.000 0.952 199 R CB -0.350 29.665 30.300 -0.475 0.000 0.850 199 R HN 0.608 nan 8.270 nan 0.000 0.433 200 E N 0.347 120.457 120.200 -0.150 0.000 2.333 200 E HA -0.141 4.209 4.350 -0.001 0.000 0.198 200 E C 1.888 178.488 176.600 0.001 0.000 1.007 200 E CA 1.292 57.664 56.400 -0.045 0.000 0.845 200 E CB 0.007 29.710 29.700 0.004 0.000 0.766 200 E HN 0.348 nan 8.360 nan 0.000 0.507 201 S N -0.613 115.088 115.700 0.001 0.000 2.481 201 S HA 0.001 4.470 4.470 -0.001 0.000 0.231 201 S C 1.770 176.426 174.600 0.093 0.000 0.996 201 S CA 0.811 59.072 58.200 0.102 0.000 0.942 201 S CB 0.112 63.480 63.200 0.281 0.000 0.768 201 S HN 0.384 nan 8.310 nan 0.000 0.520 202 G N 0.270 109.100 108.800 0.050 0.000 2.195 202 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.246 202 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.246 202 G C 1.033 176.029 174.900 0.159 0.000 0.984 202 G CA 0.498 45.656 45.100 0.097 0.000 0.633 202 G HN 0.605 nan 8.290 nan 0.000 0.525 203 S N -0.022 115.731 115.700 0.089 0.000 2.419 203 S HA 0.029 4.498 4.470 -0.001 0.000 0.235 203 S C 1.950 176.598 174.600 0.081 0.000 1.019 203 S CA 1.344 59.584 58.200 0.066 0.000 0.982 203 S CB -0.153 63.104 63.200 0.095 0.000 0.789 203 S HN 0.529 nan 8.310 nan 0.000 0.490 204 L N 1.279 122.519 121.223 0.028 0.000 2.611 204 L HA 0.218 4.557 4.340 -0.001 0.000 0.229 204 L C 0.967 177.827 176.870 -0.017 0.000 1.137 204 L CA -0.288 54.547 54.840 -0.010 0.000 0.901 204 L CB -0.173 41.854 42.059 -0.054 0.000 1.098 204 L HN 0.122 nan 8.230 nan 0.000 0.456 205 S N 1.448 117.175 115.700 0.045 0.000 2.562 205 S HA 0.141 4.611 4.470 -0.001 0.000 0.281 205 S C -1.062 173.495 174.600 -0.071 0.000 1.333 205 S CA -1.123 57.059 58.200 -0.030 0.000 1.052 205 S CB 0.774 63.933 63.200 -0.069 0.000 0.884 205 S HN 0.054 nan 8.310 nan 0.000 0.506 206 P HA -0.101 nan 4.420 nan 0.000 0.231 206 P C 0.866 178.091 177.300 -0.126 0.000 1.158 206 P CA 0.799 63.839 63.100 -0.101 0.000 0.763 206 P CB -0.166 31.479 31.700 -0.091 0.000 0.805 207 E N -1.141 118.935 120.200 -0.207 0.000 2.208 207 E HA -0.134 4.216 4.350 -0.001 0.000 0.193 207 E C 0.598 177.018 176.600 -0.299 0.000 0.988 207 E CA 0.579 56.809 56.400 -0.283 0.000 0.828 207 E CB -0.442 29.017 29.700 -0.402 0.000 0.763 207 E HN 0.345 nan 8.360 nan 0.000 0.478 208 H N 0.307 119.341 119.070 -0.059 0.000 2.570 208 H HA 0.452 5.007 4.556 -0.001 0.000 0.342 208 H C 0.538 175.820 175.328 -0.077 0.000 1.245 208 H CA -0.194 55.815 56.048 -0.066 0.000 1.318 208 H CB 0.907 30.638 29.762 -0.052 0.000 1.694 208 H HN 0.163 nan 8.280 nan 0.000 0.592 209 G N 0.227 109.067 108.800 0.067 0.000 2.621 209 G HA2 0.247 4.206 3.960 -0.001 0.000 0.271 209 G HA3 0.247 4.206 3.960 -0.001 0.000 0.271 209 G C -2.402 172.485 174.900 -0.022 0.000 1.236 209 G CA -1.080 44.010 45.100 -0.016 0.000 0.958 209 G HN 0.316 nan 8.290 nan 0.000 0.512 210 P HA 0.116 nan 4.420 nan 0.000 0.265 210 P C 0.272 177.553 177.300 -0.032 0.000 1.193 210 P CA -0.365 62.693 63.100 -0.070 0.000 0.765 210 P CB 0.910 32.564 31.700 -0.077 0.000 0.823 211 V N 4.870 124.787 119.914 0.005 0.000 2.843 211 V HA 0.048 4.167 4.120 -0.001 0.000 0.305 211 V C -0.211 175.920 176.094 0.062 0.000 1.065 211 V CA -0.015 62.319 62.300 0.056 0.000 1.116 211 V CB 0.780 32.678 31.823 0.124 0.000 0.968 211 V HN 0.173 nan 8.190 nan 0.000 0.487 212 V N 7.152 127.082 119.914 0.028 0.000 2.383 212 V HA 0.404 4.523 4.120 -0.001 0.000 0.275 212 V C -0.077 176.050 176.094 0.055 0.000 1.036 212 V CA -0.286 62.012 62.300 -0.004 0.000 0.889 212 V CB 1.488 33.228 31.823 -0.138 0.000 0.985 212 V HN 0.703 nan 8.190 nan 0.000 0.459 213 V N 5.778 125.719 119.914 0.046 0.000 2.495 213 V HA 0.672 4.791 4.120 -0.001 0.000 0.298 213 V C -0.482 175.619 176.094 0.013 0.000 1.031 213 V CA -0.559 61.719 62.300 -0.037 0.000 0.871 213 V CB 1.668 33.455 31.823 -0.060 0.000 0.988 213 V HN 1.179 nan 8.190 nan 0.000 0.432 214 H N 2.101 121.114 119.070 -0.096 0.000 3.017 214 H HA 0.849 5.404 4.556 -0.001 0.000 0.346 214 H C -0.328 174.917 175.328 -0.138 0.000 1.286 214 H CA -0.316 55.675 56.048 -0.095 0.000 1.120 214 H CB 1.432 31.161 29.762 -0.054 0.000 1.860 214 H HN 0.762 nan 8.280 nan 0.000 0.542 215 C N -0.482 118.773 119.300 -0.076 0.000 4.318 215 C HA 0.633 5.092 4.460 -0.001 0.000 0.283 215 C C 1.879 176.929 174.990 0.099 0.000 4.596 215 C CA 0.209 59.146 59.018 -0.135 0.000 1.683 215 C CB 0.902 28.462 27.740 -0.300 0.000 5.427 215 C HN 0.838 nan 8.230 nan 0.000 0.521 216 S N 0.252 115.971 115.700 0.030 0.000 2.356 216 S HA 0.192 4.662 4.470 -0.001 0.000 0.219 216 S C 1.788 176.520 174.600 0.219 0.000 1.036 216 S CA 1.444 59.731 58.200 0.145 0.000 0.965 216 S CB -0.631 62.672 63.200 0.171 0.000 0.864 216 S HN 1.081 nan 8.310 nan 0.000 0.471 217 A N -0.490 122.410 122.820 0.133 0.000 2.220 217 A HA 0.535 4.854 4.320 -0.001 0.000 0.211 217 A C 1.504 179.111 177.584 0.037 0.000 1.176 217 A CA 0.824 52.953 52.037 0.153 0.000 0.834 217 A CB -0.657 18.309 19.000 -0.057 0.000 0.868 217 A HN 1.344 nan 8.150 nan 0.000 0.488 218 G N -0.048 108.740 108.800 -0.020 0.000 2.182 218 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.248 218 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.248 218 G C 0.617 175.474 174.900 -0.070 0.000 1.042 218 G CA 0.879 45.958 45.100 -0.036 0.000 0.775 218 G HN 1.362 nan 8.290 nan 0.000 0.501 219 I N -5.231 115.270 120.570 -0.115 0.000 4.738 219 I HA 0.444 4.613 4.170 -0.001 0.000 0.315 219 I C 1.861 177.897 176.117 -0.135 0.000 1.214 219 I CA 0.818 62.058 61.300 -0.101 0.000 1.337 219 I CB -0.344 37.611 38.000 -0.075 0.000 1.433 219 I HN 0.064 nan 8.210 nan 0.000 0.472 220 G N 1.810 110.467 108.800 -0.237 0.000 2.551 220 G HA2 0.002 3.961 3.960 -0.001 0.000 0.214 220 G HA3 0.002 3.961 3.960 -0.001 0.000 0.214 220 G C 1.628 176.332 174.900 -0.327 0.000 1.250 220 G CA 0.529 45.460 45.100 -0.283 0.000 0.825 220 G HN 0.188 nan 8.290 nan 0.000 0.549 221 R N 0.383 120.558 120.500 -0.542 0.000 2.075 221 R HA 0.016 4.356 4.340 -0.001 0.000 0.232 221 R C 3.022 178.962 176.300 -0.600 0.000 1.126 221 R CA 1.365 56.914 56.100 -0.919 0.000 0.963 221 R CB -0.344 29.076 30.300 -1.467 0.000 0.858 221 R HN 0.286 nan 8.270 nan 0.000 0.435 222 S N 0.002 115.472 115.700 -0.383 0.000 2.368 222 S HA -0.114 4.355 4.470 -0.001 0.000 0.225 222 S C 2.020 176.586 174.600 -0.057 0.000 1.030 222 S CA 1.377 59.464 58.200 -0.189 0.000 0.999 222 S CB -0.425 62.684 63.200 -0.151 0.000 0.844 222 S HN 0.630 nan 8.310 nan 0.000 0.459 223 G N 1.131 109.885 108.800 -0.076 0.000 2.422 223 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.218 223 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.218 223 G C 1.445 176.358 174.900 0.022 0.000 1.146 223 G CA 1.457 46.546 45.100 -0.018 0.000 0.769 223 G HN 0.491 nan 8.290 nan 0.000 0.547 224 T N 0.749 115.324 114.554 0.035 0.000 2.708 224 T HA -0.120 4.229 4.350 -0.001 0.000 0.266 224 T C 1.928 176.740 174.700 0.187 0.000 1.037 224 T CA 1.130 63.298 62.100 0.114 0.000 1.146 224 T CB -0.325 68.680 68.868 0.228 0.000 0.865 224 T HN 0.256 nan 8.240 nan 0.000 0.435 225 F N 1.478 121.538 119.950 0.184 0.000 2.095 225 F HA -0.202 4.325 4.527 -0.001 0.000 0.298 225 F C 2.412 178.287 175.800 0.126 0.000 1.104 225 F CA 1.055 59.276 58.000 0.369 0.000 1.232 225 F CB -0.663 38.496 39.000 0.265 0.000 0.987 225 F HN 0.166 nan 8.300 nan 0.000 0.475 226 C N 0.035 119.333 119.300 -0.003 0.000 2.440 226 C HA -0.082 4.378 4.460 -0.001 0.000 0.278 226 C C 2.630 177.473 174.990 -0.244 0.000 1.295 226 C CA 0.683 59.458 59.018 -0.404 0.000 1.738 226 C CB -1.423 25.967 27.740 -0.583 0.000 1.987 226 C HN 0.660 nan 8.230 nan 0.000 0.492 227 L N 2.101 123.271 121.223 -0.089 0.000 2.046 227 L HA -0.052 4.288 4.340 -0.001 0.000 0.208 227 L C 2.567 179.416 176.870 -0.036 0.000 1.077 227 L CA 2.419 57.241 54.840 -0.030 0.000 0.747 227 L CB -0.878 41.187 42.059 0.011 0.000 0.896 227 L HN 0.255 nan 8.230 nan 0.000 0.432 228 A N -0.830 121.968 122.820 -0.037 0.000 1.902 228 A HA -0.266 4.054 4.320 -0.001 0.000 0.217 228 A C 2.090 179.666 177.584 -0.013 0.000 1.181 228 A CA 1.839 53.873 52.037 -0.006 0.000 0.623 228 A CB -1.044 18.007 19.000 0.086 0.000 0.818 228 A HN 0.586 nan 8.150 nan 0.000 0.443 229 D N -1.073 119.261 120.400 -0.111 0.000 2.097 229 D HA -0.113 4.527 4.640 -0.001 0.000 0.195 229 D C 1.957 178.257 176.300 0.000 0.000 0.989 229 D CA 2.008 55.931 54.000 -0.128 0.000 0.827 229 D CB -0.183 40.462 40.800 -0.259 0.000 0.966 229 D HN 0.342 nan 8.370 nan 0.000 0.456 230 T N -0.875 113.708 114.554 0.049 0.000 2.708 230 T HA -0.161 4.189 4.350 -0.001 0.000 0.266 230 T C 2.220 176.950 174.700 0.051 0.000 1.037 230 T CA 1.243 63.403 62.100 0.100 0.000 1.146 230 T CB -0.670 68.278 68.868 0.134 0.000 0.865 230 T HN 0.294 nan 8.240 nan 0.000 0.435 231 C N 1.047 120.363 119.300 0.026 0.000 2.413 231 C HA -0.000 4.459 4.460 -0.001 0.000 0.276 231 C C 2.724 177.733 174.990 0.032 0.000 1.236 231 C CA 0.481 59.509 59.018 0.016 0.000 1.735 231 C CB -1.426 26.304 27.740 -0.016 0.000 2.031 231 C HN 0.519 nan 8.230 nan 0.000 0.474 232 L N 0.065 121.314 121.223 0.042 0.000 2.046 232 L HA -0.169 4.171 4.340 -0.001 0.000 0.208 232 L C 2.540 179.454 176.870 0.073 0.000 1.077 232 L CA 1.039 55.927 54.840 0.081 0.000 0.747 232 L CB -0.703 41.424 42.059 0.114 0.000 0.896 232 L HN 0.334 nan 8.230 nan 0.000 0.432 233 L N -0.240 121.008 121.223 0.042 0.000 2.046 233 L HA -0.198 4.141 4.340 -0.001 0.000 0.208 233 L C 2.300 179.191 176.870 0.035 0.000 1.077 233 L CA 1.677 56.535 54.840 0.031 0.000 0.747 233 L CB -0.376 41.691 42.059 0.014 0.000 0.896 233 L HN 0.102 nan 8.230 nan 0.000 0.432 234 L N -1.518 119.727 121.223 0.037 0.000 2.083 234 L HA -0.228 4.111 4.340 -0.001 0.000 0.209 234 L C 2.528 179.419 176.870 0.035 0.000 1.083 234 L CA 1.386 56.246 54.840 0.034 0.000 0.752 234 L CB -0.316 41.764 42.059 0.035 0.000 0.899 234 L HN 0.344 nan 8.230 nan 0.000 0.433 235 M N -0.698 118.928 119.600 0.043 0.000 2.080 235 M HA -0.266 4.213 4.480 -0.001 0.000 0.260 235 M C 1.873 178.198 176.300 0.042 0.000 1.068 235 M CA 2.061 57.388 55.300 0.044 0.000 1.109 235 M CB -0.481 32.155 32.600 0.059 0.000 1.342 235 M HN 0.196 nan 8.290 nan 0.000 0.405 236 D N 0.206 120.637 120.400 0.052 0.000 2.137 236 D HA -0.146 4.494 4.640 -0.001 0.000 0.202 236 D C 1.839 178.154 176.300 0.026 0.000 0.970 236 D CA 1.127 55.152 54.000 0.042 0.000 0.837 236 D CB 0.087 40.924 40.800 0.061 0.000 0.981 236 D HN -0.026 nan 8.370 nan 0.000 0.475 237 K N 0.668 121.083 120.400 0.024 0.000 2.063 237 K HA -0.074 4.245 4.320 -0.001 0.000 0.208 237 K C 1.901 178.510 176.600 0.014 0.000 1.048 237 K CA 1.382 57.677 56.287 0.015 0.000 0.928 237 K CB -0.083 32.424 32.500 0.012 0.000 0.713 237 K HN 0.083 nan 8.250 nan 0.000 0.442 238 R N 0.136 120.646 120.500 0.017 0.000 2.240 238 R HA 0.115 4.454 4.340 -0.001 0.000 0.203 238 R C -0.102 176.206 176.300 0.013 0.000 1.011 238 R CA 0.242 56.351 56.100 0.016 0.000 1.007 238 R CB 0.199 30.510 30.300 0.019 0.000 0.911 238 R HN 0.002 nan 8.270 nan 0.000 0.468 239 K N 1.559 121.968 120.400 0.014 0.000 3.096 239 K HA -0.179 4.140 4.320 -0.001 0.000 0.266 239 K C -0.847 175.759 176.600 0.011 0.000 1.043 239 K CA 0.946 57.239 56.287 0.010 0.000 0.758 239 K CB -1.484 31.019 32.500 0.005 0.000 1.260 239 K HN 0.305 nan 8.250 nan 0.000 0.481 240 D N -0.858 119.552 120.400 0.016 0.000 2.826 240 D HA 0.149 4.788 4.640 -0.001 0.000 0.239 240 D C -1.584 174.729 176.300 0.022 0.000 1.329 240 D CA -1.190 52.820 54.000 0.017 0.000 0.854 240 D CB 1.001 41.810 40.800 0.016 0.000 1.494 240 D HN -0.093 nan 8.370 nan 0.000 0.540 241 P HA -0.178 nan 4.420 nan 0.000 0.216 241 P C 1.350 178.667 177.300 0.028 0.000 1.150 241 P CA 1.049 64.167 63.100 0.031 0.000 0.837 241 P CB 0.075 31.797 31.700 0.036 0.000 0.786 242 S N -0.019 115.696 115.700 0.026 0.000 2.507 242 S HA -0.087 4.383 4.470 -0.001 0.000 0.235 242 S C 2.008 176.625 174.600 0.028 0.000 0.988 242 S CA 1.223 59.440 58.200 0.029 0.000 0.944 242 S CB -1.407 61.809 63.200 0.028 0.000 0.762 242 S HN 0.335 nan 8.310 nan 0.000 0.526 243 S N 0.565 116.280 115.700 0.025 0.000 2.527 243 S HA 0.168 4.637 4.470 -0.001 0.000 0.222 243 S C 0.545 175.160 174.600 0.024 0.000 0.985 243 S CA -0.177 58.038 58.200 0.025 0.000 0.921 243 S CB -0.613 62.601 63.200 0.023 0.000 0.772 243 S HN 0.298 nan 8.310 nan 0.000 0.529 244 V N 3.451 123.377 119.914 0.021 0.000 2.479 244 V HA 0.219 4.338 4.120 -0.001 0.000 0.281 244 V C 0.011 176.107 176.094 0.004 0.000 1.031 244 V CA -0.185 62.123 62.300 0.013 0.000 1.038 244 V CB 0.648 32.476 31.823 0.007 0.000 0.981 244 V HN 0.372 nan 8.190 nan 0.000 0.478 245 D N 4.497 124.903 120.400 0.011 0.000 2.412 245 D HA 0.185 4.824 4.640 -0.001 0.000 0.224 245 D C 0.872 177.166 176.300 -0.011 0.000 1.093 245 D CA -0.335 53.673 54.000 0.012 0.000 0.850 245 D CB 1.306 42.128 40.800 0.037 0.000 1.046 245 D HN 0.520 nan 8.370 nan 0.000 0.507 246 I N 3.979 124.495 120.570 -0.091 0.000 2.286 246 I HA -0.259 3.911 4.170 -0.001 0.000 0.248 246 I C 1.716 177.829 176.117 -0.007 0.000 1.115 246 I CA 1.156 62.380 61.300 -0.126 0.000 1.392 246 I CB 0.284 38.046 38.000 -0.397 0.000 1.065 246 I HN 0.268 nan 8.210 nan 0.000 0.418 247 K N 0.669 121.105 120.400 0.061 0.000 2.097 247 K HA -0.180 4.139 4.320 -0.001 0.000 0.206 247 K C 2.096 178.756 176.600 0.100 0.000 1.049 247 K CA 1.408 57.774 56.287 0.132 0.000 0.933 247 K CB -0.154 32.447 32.500 0.169 0.000 0.717 247 K HN 0.359 nan 8.250 nan 0.000 0.442 248 K N 0.708 121.154 120.400 0.077 0.000 2.097 248 K HA -0.073 4.246 4.320 -0.001 0.000 0.205 248 K C 2.092 178.741 176.600 0.082 0.000 1.050 248 K CA 1.007 57.338 56.287 0.073 0.000 0.938 248 K CB -0.040 32.496 32.500 0.061 0.000 0.718 248 K HN -0.067 nan 8.250 nan 0.000 0.442 249 V N 1.609 121.566 119.914 0.072 0.000 2.358 249 V HA -0.217 3.902 4.120 -0.001 0.000 0.246 249 V C 2.139 178.297 176.094 0.108 0.000 1.047 249 V CA 1.279 63.629 62.300 0.083 0.000 1.035 249 V CB -0.368 31.487 31.823 0.055 0.000 0.658 249 V HN 0.253 nan 8.190 nan 0.000 0.452 250 L N -0.407 120.878 121.223 0.103 0.000 2.046 250 L HA -0.111 4.228 4.340 -0.001 0.000 0.208 250 L C 2.142 179.097 176.870 0.141 0.000 1.077 250 L CA 1.893 56.808 54.840 0.126 0.000 0.747 250 L CB -0.639 41.505 42.059 0.141 0.000 0.896 250 L HN 0.150 nan 8.230 nan 0.000 0.432 251 L N -0.281 121.017 121.223 0.124 0.000 2.046 251 L HA -0.164 4.175 4.340 -0.001 0.000 0.208 251 L C 2.599 179.553 176.870 0.140 0.000 1.077 251 L CA 1.782 56.690 54.840 0.114 0.000 0.747 251 L CB -1.223 40.886 42.059 0.084 0.000 0.896 251 L HN 0.405 nan 8.230 nan 0.000 0.432 252 E N -0.242 120.051 120.200 0.156 0.000 2.051 252 E HA -0.229 4.120 4.350 -0.001 0.000 0.192 252 E C 2.215 179.017 176.600 0.336 0.000 0.991 252 E CA 1.637 58.164 56.400 0.212 0.000 0.799 252 E CB -0.210 29.614 29.700 0.207 0.000 0.748 252 E HN 0.412 nan 8.360 nan 0.000 0.449 253 M N -0.312 119.474 119.600 0.311 0.000 2.159 253 M HA -0.101 4.378 4.480 -0.001 0.000 0.263 253 M C 2.230 178.767 176.300 0.396 0.000 1.063 253 M CA 1.461 56.992 55.300 0.384 0.000 1.110 253 M CB -0.244 32.492 32.600 0.227 0.000 1.374 253 M HN -0.014 nan 8.290 nan 0.000 0.411 254 R N 0.469 121.135 120.500 0.276 0.000 2.357 254 R HA -0.059 4.281 4.340 -0.001 0.000 0.202 254 R C 1.660 178.171 176.300 0.353 0.000 1.047 254 R CA 0.652 56.916 56.100 0.273 0.000 1.034 254 R CB -0.132 30.285 30.300 0.194 0.000 0.875 254 R HN 0.425 nan 8.270 nan 0.000 0.473 255 K N -0.666 119.885 120.400 0.252 0.000 2.296 255 K HA -0.041 4.278 4.320 -0.001 0.000 0.200 255 K C 0.877 177.573 176.600 0.160 0.000 1.048 255 K CA 0.949 57.320 56.287 0.140 0.000 0.966 255 K CB 0.209 32.571 32.500 -0.231 0.000 0.754 255 K HN 0.126 nan 8.250 nan 0.000 0.466 256 F N 0.006 120.250 119.950 0.490 0.000 2.622 256 F HA 0.219 4.746 4.527 -0.000 0.000 0.288 256 F C 0.754 176.684 175.800 0.218 0.000 1.120 256 F CA -0.214 58.000 58.000 0.357 0.000 1.423 256 F CB 0.576 39.695 39.000 0.198 0.000 1.127 256 F HN -0.225 nan 8.300 nan 0.000 0.588 257 R N 1.015 121.677 120.500 0.270 0.000 2.561 257 R HA 0.390 4.729 4.340 -0.001 0.000 0.266 257 R C -0.787 175.427 176.300 -0.143 0.000 1.091 257 R CA -0.718 55.278 56.100 -0.172 0.000 0.927 257 R CB 1.455 31.719 30.300 -0.060 0.000 1.240 257 R HN 0.105 nan 8.270 nan 0.000 0.449 258 M N 1.954 121.290 119.600 -0.439 0.000 2.245 258 M HA 0.370 4.849 4.480 -0.001 0.000 0.330 258 M C 0.932 177.218 176.300 -0.024 0.000 1.098 258 M CA 1.245 56.481 55.300 -0.106 0.000 1.172 258 M CB 0.692 33.215 32.600 -0.129 0.000 1.467 258 M HN 0.811 nan 8.290 nan 0.000 0.454 259 G N 1.966 110.795 108.800 0.048 0.000 2.166 259 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.260 259 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.260 259 G C -0.044 174.897 174.900 0.069 0.000 0.986 259 G CA 0.325 45.460 45.100 0.059 0.000 0.683 259 G HN 0.788 nan 8.290 nan 0.000 0.527 260 L N 0.826 122.093 121.223 0.074 0.000 2.584 260 L HA 0.312 4.652 4.340 -0.001 0.000 0.272 260 L C 1.026 177.968 176.870 0.120 0.000 1.195 260 L CA -0.120 54.761 54.840 0.069 0.000 0.920 260 L CB 0.080 42.189 42.059 0.083 0.000 1.173 260 L HN 0.277 nan 8.230 nan 0.000 0.489 261 I N 3.129 123.747 120.570 0.080 0.000 7.439 261 I HA -0.200 3.970 4.170 -0.001 0.000 0.126 261 I C 0.563 176.782 176.117 0.169 0.000 1.840 261 I CA 0.216 61.577 61.300 0.102 0.000 2.037 261 I CB -0.520 37.594 38.000 0.190 0.000 3.653 261 I HN 0.885 nan 8.210 nan 0.000 0.169 262 Q N 2.646 122.472 119.800 0.044 0.000 2.319 262 Q HA 0.154 4.493 4.340 -0.001 0.000 0.209 262 Q C 0.917 176.971 176.000 0.089 0.000 0.884 262 Q CA 1.052 56.932 55.803 0.129 0.000 0.938 262 Q CB 1.285 30.019 28.738 -0.006 0.000 1.098 262 Q HN 0.884 nan 8.270 nan 0.000 0.517 263 T N -5.360 109.043 114.554 -0.252 0.000 2.883 263 T HA 0.618 4.967 4.350 -0.001 0.000 0.301 263 T C 0.676 174.854 174.700 -0.871 0.000 1.158 263 T CA -0.189 61.664 62.100 -0.411 0.000 1.007 263 T CB 1.608 70.425 68.868 -0.086 0.000 1.186 263 T HN -0.106 nan 8.240 nan 0.000 0.499 264 A N 0.655 123.029 122.820 -0.745 0.000 1.972 264 A HA -0.005 4.315 4.320 -0.001 0.000 0.219 264 A C 1.836 179.268 177.584 -0.254 0.000 1.169 264 A CA 2.069 53.853 52.037 -0.422 0.000 0.635 264 A CB -1.136 17.881 19.000 0.028 0.000 0.810 264 A HN 0.947 nan 8.150 nan 0.000 0.446 265 D N -0.834 119.432 120.400 -0.224 0.000 2.224 265 D HA -0.097 4.542 4.640 -0.001 0.000 0.205 265 D C 2.140 178.340 176.300 -0.167 0.000 0.965 265 D CA 1.078 54.949 54.000 -0.215 0.000 0.852 265 D CB -0.102 40.617 40.800 -0.135 0.000 0.947 265 D HN 0.578 nan 8.370 nan 0.000 0.494 266 Q N -0.594 119.123 119.800 -0.139 0.000 2.167 266 Q HA -0.090 4.250 4.340 -0.001 0.000 0.202 266 Q C 1.989 177.985 176.000 -0.007 0.000 0.970 266 Q CA 0.533 56.310 55.803 -0.043 0.000 0.855 266 Q CB 0.004 28.718 28.738 -0.039 0.000 0.911 266 Q HN 0.289 nan 8.270 nan 0.000 0.438 267 L N 1.027 122.211 121.223 -0.065 0.000 2.027 267 L HA -0.170 4.169 4.340 -0.001 0.000 0.206 267 L C 2.368 179.257 176.870 0.032 0.000 1.074 267 L CA 1.794 56.687 54.840 0.087 0.000 0.745 267 L CB -0.451 41.736 42.059 0.213 0.000 0.898 267 L HN 0.027 nan 8.230 nan 0.000 0.433 268 R N -1.407 118.862 120.500 -0.385 0.000 2.083 268 R HA -0.261 4.078 4.340 -0.001 0.000 0.237 268 R C 2.385 178.543 176.300 -0.237 0.000 1.137 268 R CA 2.102 57.678 56.100 -0.873 0.000 0.951 268 R CB -0.680 28.793 30.300 -1.379 0.000 0.851 268 R HN 0.433 nan 8.270 nan 0.000 0.434 269 F N 1.168 120.963 119.950 -0.259 0.000 2.171 269 F HA -0.183 4.343 4.527 -0.001 0.000 0.300 269 F C 2.219 177.904 175.800 -0.193 0.000 1.090 269 F CA 1.850 59.717 58.000 -0.222 0.000 1.293 269 F CB -0.230 38.606 39.000 -0.273 0.000 1.013 269 F HN 0.000 nan 8.300 nan 0.000 0.486 270 S N -0.463 115.222 115.700 -0.025 0.000 2.359 270 S HA -0.241 4.229 4.470 -0.001 0.000 0.224 270 S C 1.759 176.295 174.600 -0.108 0.000 1.035 270 S CA 1.593 59.742 58.200 -0.085 0.000 1.018 270 S CB -0.769 62.450 63.200 0.032 0.000 0.876 270 S HN 0.473 nan 8.310 nan 0.000 0.448 271 Y N 1.777 122.019 120.300 -0.097 0.000 2.128 271 Y HA -0.112 4.437 4.550 -0.001 0.000 0.284 271 Y C 2.200 177.931 175.900 -0.282 0.000 1.154 271 Y CA 1.060 59.142 58.100 -0.031 0.000 1.149 271 Y CB -0.622 38.029 38.460 0.319 0.000 0.976 271 Y HN 0.156 nan 8.280 nan 0.000 0.505 272 L N -1.064 119.988 121.223 -0.286 0.000 2.012 272 L HA -0.304 4.035 4.340 -0.001 0.000 0.210 272 L C 2.650 179.208 176.870 -0.520 0.000 1.073 272 L CA 1.311 55.835 54.840 -0.527 0.000 0.748 272 L CB -0.901 40.799 42.059 -0.598 0.000 0.891 272 L HN 0.247 nan 8.230 nan 0.000 0.431 273 A N -0.627 121.788 122.820 -0.675 0.000 1.898 273 A HA -0.124 4.195 4.320 -0.001 0.000 0.216 273 A C 2.310 179.747 177.584 -0.244 0.000 1.181 273 A CA 1.641 53.370 52.037 -0.514 0.000 0.620 273 A CB -0.726 17.920 19.000 -0.591 0.000 0.819 273 A HN 0.197 nan 8.150 nan 0.000 0.442 274 V N 0.214 120.011 119.914 -0.195 0.000 2.358 274 V HA -0.237 3.882 4.120 -0.001 0.000 0.246 274 V C 2.414 178.471 176.094 -0.062 0.000 1.047 274 V CA 1.888 64.133 62.300 -0.091 0.000 1.035 274 V CB -0.660 31.102 31.823 -0.101 0.000 0.658 274 V HN 0.562 nan 8.190 nan 0.000 0.452 275 I N 0.186 120.694 120.570 -0.104 0.000 2.208 275 I HA -0.256 3.913 4.170 -0.001 0.000 0.245 275 I C 2.629 178.726 176.117 -0.034 0.000 1.097 275 I CA 1.887 63.144 61.300 -0.073 0.000 1.363 275 I CB -0.310 37.605 38.000 -0.142 0.000 1.051 275 I HN 0.359 nan 8.210 nan 0.000 0.413 276 E N 1.408 121.566 120.200 -0.072 0.000 2.072 276 E HA -0.144 4.205 4.350 -0.001 0.000 0.191 276 E C 2.156 178.864 176.600 0.181 0.000 0.985 276 E CA 1.610 58.026 56.400 0.028 0.000 0.801 276 E CB -0.542 29.119 29.700 -0.066 0.000 0.750 276 E HN 0.378 nan 8.360 nan 0.000 0.452 277 G N 0.148 108.998 108.800 0.083 0.000 2.448 277 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.219 277 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.219 277 G C 1.659 176.760 174.900 0.336 0.000 1.127 277 G CA 0.843 46.080 45.100 0.228 0.000 0.766 277 G HN 0.436 nan 8.290 nan 0.000 0.552 278 A N 0.807 123.745 122.820 0.197 0.000 2.024 278 A HA -0.025 4.294 4.320 -0.001 0.000 0.220 278 A C 2.270 179.952 177.584 0.164 0.000 1.164 278 A CA 1.867 54.002 52.037 0.163 0.000 0.643 278 A CB -0.302 18.750 19.000 0.086 0.000 0.806 278 A HN 0.417 nan 8.150 nan 0.000 0.451 279 K N -1.431 119.079 120.400 0.183 0.000 2.057 279 K HA -0.144 4.175 4.320 -0.001 0.000 0.207 279 K C 1.769 178.436 176.600 0.112 0.000 1.049 279 K CA 1.649 58.008 56.287 0.119 0.000 0.931 279 K CB -0.370 32.196 32.500 0.109 0.000 0.714 279 K HN 0.570 nan 8.250 nan 0.000 0.440 280 F N 1.952 121.942 119.950 0.065 0.000 2.134 280 F HA -0.194 4.332 4.527 -0.001 0.000 0.299 280 F C 1.833 177.683 175.800 0.084 0.000 1.097 280 F CA 1.137 59.151 58.000 0.023 0.000 1.264 280 F CB -0.005 39.045 39.000 0.082 0.000 1.001 280 F HN -0.126 nan 8.300 nan 0.000 0.479 281 I N 0.415 121.101 120.570 0.193 0.000 2.286 281 I HA -0.272 3.898 4.170 -0.001 0.000 0.248 281 I C 2.029 178.103 176.117 -0.072 0.000 1.115 281 I CA 1.210 62.542 61.300 0.055 0.000 1.392 281 I CB -1.221 36.876 38.000 0.162 0.000 1.065 281 I HN 0.274 nan 8.210 nan 0.000 0.418 282 M N 0.148 119.727 119.600 -0.035 0.000 2.722 282 M HA 0.080 4.559 4.480 -0.001 0.000 0.238 282 M C 1.522 177.763 176.300 -0.098 0.000 1.098 282 M CA 0.725 55.995 55.300 -0.049 0.000 1.062 282 M CB -1.144 31.448 32.600 -0.013 0.000 1.573 282 M HN 0.495 nan 8.290 nan 0.000 0.531 283 G N 0.151 108.840 108.800 -0.186 0.000 2.176 283 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.232 283 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.232 283 G C 0.063 174.853 174.900 -0.184 0.000 0.986 283 G CA 0.054 45.033 45.100 -0.202 0.000 0.643 283 G HN 0.461 nan 8.290 nan 0.000 0.522 284 D N 1.845 122.149 120.400 -0.159 0.000 2.348 284 D HA 0.366 5.005 4.640 -0.001 0.000 0.259 284 D C 1.739 177.951 176.300 -0.147 0.000 1.296 284 D CA 0.618 54.540 54.000 -0.130 0.000 0.931 284 D CB 0.440 41.176 40.800 -0.106 0.000 1.067 284 D HN 0.395 nan 8.370 nan 0.000 0.503 285 S N 1.426 117.052 115.700 -0.123 0.000 2.701 285 S HA -0.049 4.420 4.470 -0.001 0.000 0.220 285 S C 1.330 175.878 174.600 -0.087 0.000 0.954 285 S CA 0.284 58.432 58.200 -0.087 0.000 0.936 285 S CB -0.125 63.034 63.200 -0.068 0.000 0.777 285 S HN 0.339 nan 8.310 nan 0.000 0.518 286 S N -0.813 114.808 115.700 -0.133 0.000 2.589 286 S HA 0.192 4.661 4.470 -0.001 0.000 0.235 286 S C 1.336 175.777 174.600 -0.265 0.000 1.051 286 S CA 0.343 58.452 58.200 -0.152 0.000 0.978 286 S CB -0.268 62.863 63.200 -0.115 0.000 0.929 286 S HN 0.261 nan 8.310 nan 0.000 0.523 287 V N 1.894 121.582 119.914 -0.375 0.000 2.594 287 V HA -0.147 3.972 4.120 -0.001 0.000 0.253 287 V C 2.590 177.953 176.094 -1.219 0.000 1.069 287 V CA 2.392 64.272 62.300 -0.700 0.000 1.082 287 V CB -0.568 30.843 31.823 -0.687 0.000 0.680 287 V HN 0.655 nan 8.190 nan 0.000 0.469 288 Q N -0.603 118.637 119.800 -0.935 0.000 2.050 288 Q HA -0.250 4.089 4.340 -0.001 0.000 0.202 288 Q C 2.166 177.959 176.000 -0.345 0.000 0.980 288 Q CA 2.117 57.455 55.803 -0.775 0.000 0.840 288 Q CB -0.314 28.203 28.738 -0.369 0.000 0.898 288 Q HN 0.799 nan 8.270 nan 0.000 0.424 289 D N -0.364 119.895 120.400 -0.235 0.000 2.218 289 D HA -0.195 4.444 4.640 -0.001 0.000 0.204 289 D C 1.530 177.768 176.300 -0.103 0.000 0.976 289 D CA 1.073 55.007 54.000 -0.109 0.000 0.853 289 D CB 0.189 40.942 40.800 -0.078 0.000 0.939 289 D HN 0.385 nan 8.370 nan 0.000 0.481 290 Q N -0.693 118.988 119.800 -0.198 0.000 2.083 290 Q HA -0.111 4.228 4.340 -0.001 0.000 0.198 290 Q C 2.213 178.213 176.000 -0.001 0.000 0.969 290 Q CA 0.987 56.714 55.803 -0.128 0.000 0.838 290 Q CB -0.106 28.521 28.738 -0.184 0.000 0.900 290 Q HN 0.431 nan 8.270 nan 0.000 0.436 291 W N 1.549 122.798 121.300 -0.086 0.000 2.338 291 W HA -0.136 4.523 4.660 -0.001 0.000 0.304 291 W C 2.109 178.594 176.519 -0.057 0.000 1.212 291 W CA 0.805 58.097 57.345 -0.089 0.000 1.264 291 W CB -0.848 28.532 29.460 -0.133 0.000 1.142 291 W HN 0.190 nan 8.180 nan 0.000 0.512 292 K N 0.441 120.957 120.400 0.193 0.000 2.032 292 K HA -0.208 4.111 4.320 -0.001 0.000 0.209 292 K C 1.867 178.513 176.600 0.076 0.000 1.048 292 K CA 1.761 58.136 56.287 0.146 0.000 0.927 292 K CB -0.084 32.483 32.500 0.113 0.000 0.712 292 K HN -0.149 nan 8.250 nan 0.000 0.441 293 E N 0.876 121.090 120.200 0.022 0.000 2.051 293 E HA -0.170 4.179 4.350 -0.001 0.000 0.192 293 E C 2.095 178.567 176.600 -0.214 0.000 0.991 293 E CA 1.034 57.412 56.400 -0.037 0.000 0.799 293 E CB -0.232 29.456 29.700 -0.020 0.000 0.748 293 E HN 0.383 nan 8.360 nan 0.000 0.449 294 L N 1.428 122.551 121.223 -0.167 0.000 2.265 294 L HA -0.131 4.208 4.340 -0.001 0.000 0.215 294 L C 2.461 179.107 176.870 -0.372 0.000 1.117 294 L CA 1.210 55.884 54.840 -0.276 0.000 0.782 294 L CB -0.414 41.608 42.059 -0.063 0.000 0.914 294 L HN 0.124 nan 8.230 nan 0.000 0.441 295 S N -2.028 113.560 115.700 -0.187 0.000 2.470 295 S HA -0.149 4.320 4.470 -0.001 0.000 0.225 295 S C 0.653 175.253 174.600 0.001 0.000 1.006 295 S CA 0.109 58.248 58.200 -0.102 0.000 0.934 295 S CB -0.408 62.876 63.200 0.140 0.000 0.778 295 S HN 0.600 nan 8.310 nan 0.000 0.517 296 H N 1.847 120.986 119.070 0.114 0.000 2.677 296 H HA -0.133 4.422 4.556 -0.001 0.000 0.321 296 H C 0.907 176.337 175.328 0.170 0.000 1.171 296 H CA 0.689 56.801 56.048 0.106 0.000 1.139 296 H CB -1.756 28.040 29.762 0.055 0.000 1.515 296 H HN 0.862 nan 8.280 nan 0.000 0.423 297 E N -0.482 119.907 120.200 0.314 0.000 2.418 297 E HA -0.072 4.277 4.350 -0.001 0.000 0.197 297 E C 0.445 177.105 176.600 0.101 0.000 1.026 297 E CA 0.700 57.259 56.400 0.265 0.000 0.862 297 E CB 0.432 30.295 29.700 0.273 0.000 0.799 297 E HN 0.518 nan 8.360 nan 0.000 0.518 298 D N 0.359 120.828 120.400 0.115 0.000 2.475 298 D HA 0.541 5.180 4.640 -0.001 0.000 0.286 298 D C 0.540 176.869 176.300 0.049 0.000 1.205 298 D CA 0.473 54.509 54.000 0.060 0.000 1.092 298 D CB 0.902 41.742 40.800 0.066 0.000 1.147 298 D HN 0.173 nan 8.370 nan 0.000 0.575 299 L N 0.000 121.241 121.223 0.031 0.000 2.949 299 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 299 L CA 0.000 nan 54.840 nan 0.000 0.813 299 L CB 0.000 nan 42.059 nan 0.000 0.961 299 L HN 0.000 nan 8.230 nan 0.000 0.502