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 2g4z_1_A DATA FIRST_RESID 1 DATA SEQUENCE ITGTSTVGVG RGVLGDQKNI NTTYSTYYYL QDNTRGDGIF TYDAKYRTTL DATA SEQUENCE PGSLWADADN QFFASYDAPA VDAHYYAGVT YDYYKNVHNR LSYDGNNAAI DATA SEQUENCE RSSVHYSQGY NNAFWNGSEM VYGDGDGQTF IPLSGGIDVV AHELTHAVTD DATA SEQUENCE YTAGLIYQNE SGAINEAISD IFGTLVEFYA NKNPDWEIGE DVYTPGISGD DATA SEQUENCE SLRSMSDPAK YGDPDHYSKR YTGTQDNGGV HINSGIINKA AYLISQGGTH DATA SEQUENCE YGVSVVGIGR DKLGKIFYRA LTQYLTPTSN FSQLRAAAVQ SATDLYGSTS DATA SEQUENCE QEVASVKQAF DAVGVK 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 I HA 0.000 nan 4.170 nan 0.000 0.288 1 I C 0.000 176.101 176.117 -0.027 0.000 1.063 1 I CA 0.000 61.246 61.300 -0.089 0.000 1.566 1 I CB 0.000 37.796 38.000 -0.340 0.000 1.214 2 T N 4.413 118.949 114.554 -0.031 0.000 2.794 2 T HA 0.704 5.054 4.350 -0.000 0.000 0.296 2 T C 0.099 174.791 174.700 -0.014 0.000 0.949 2 T CA 0.297 62.393 62.100 -0.007 0.000 1.101 2 T CB 1.082 69.946 68.868 -0.006 0.000 0.905 2 T HN 0.898 nan 8.240 nan 0.000 0.516 3 G N 1.330 110.136 108.800 0.009 0.000 2.428 3 G HA2 0.519 4.479 3.960 -0.000 0.000 0.304 3 G HA3 0.519 4.479 3.960 -0.000 0.000 0.304 3 G C -1.112 173.822 174.900 0.057 0.000 1.303 3 G CA -0.607 44.505 45.100 0.019 0.000 0.825 3 G HN 0.676 nan 8.290 nan 0.000 0.484 4 T N -0.271 114.345 114.554 0.103 0.000 2.925 4 T HA 0.616 4.966 4.350 -0.000 0.000 0.285 4 T C 0.181 174.961 174.700 0.133 0.000 1.021 4 T CA -0.153 62.015 62.100 0.114 0.000 1.042 4 T CB 0.961 69.908 68.868 0.130 0.000 1.037 4 T HN 0.540 nan 8.240 nan 0.000 0.481 5 S N 2.804 118.562 115.700 0.096 0.000 2.499 5 S HA 0.534 5.004 4.470 -0.000 0.000 0.275 5 S C 0.337 175.005 174.600 0.113 0.000 1.257 5 S CA -0.710 57.543 58.200 0.090 0.000 1.050 5 S CB 0.685 63.912 63.200 0.045 0.000 0.937 5 S HN 0.904 nan 8.310 nan 0.000 0.490 6 T N -0.653 113.990 114.554 0.149 0.000 2.858 6 T HA 0.758 5.108 4.350 -0.000 0.000 0.285 6 T C -0.781 173.992 174.700 0.121 0.000 1.052 6 T CA -0.826 61.372 62.100 0.164 0.000 1.009 6 T CB 1.082 70.131 68.868 0.302 0.000 1.241 6 T HN 0.250 nan 8.240 nan 0.000 0.542 7 V N 0.860 120.831 119.914 0.094 0.000 2.447 7 V HA 0.702 4.822 4.120 -0.000 0.000 0.292 7 V C 0.670 176.789 176.094 0.042 0.000 1.021 7 V CA -0.541 61.794 62.300 0.058 0.000 0.850 7 V CB 1.108 32.954 31.823 0.039 0.000 1.005 7 V HN 1.291 nan 8.190 nan 0.000 0.426 8 G N 2.469 111.299 108.800 0.049 0.000 2.511 8 G HA2 0.662 4.622 3.960 -0.000 0.000 0.316 8 G HA3 0.662 4.622 3.960 -0.000 0.000 0.316 8 G C -1.099 173.810 174.900 0.015 0.000 1.210 8 G CA -0.630 44.514 45.100 0.074 0.000 0.969 8 G HN 0.682 nan 8.290 nan 0.000 0.492 9 V N -0.566 119.353 119.914 0.007 0.000 2.789 9 V HA 0.938 5.057 4.120 -0.000 0.000 0.311 9 V C 0.196 176.061 176.094 -0.381 0.000 1.073 9 V CA 0.502 62.740 62.300 -0.104 0.000 0.921 9 V CB 1.707 33.542 31.823 0.020 0.000 1.009 9 V HN 1.420 nan 8.190 nan 0.000 0.426 10 G N 4.728 113.244 108.800 -0.473 0.000 2.663 10 G HA2 0.643 4.603 3.960 -0.000 0.000 0.299 10 G HA3 0.643 4.603 3.960 -0.000 0.000 0.299 10 G C -1.783 172.885 174.900 -0.387 0.000 1.372 10 G CA -0.951 43.722 45.100 -0.712 0.000 0.781 10 G HN 0.782 nan 8.290 nan 0.000 0.491 11 R N -0.621 119.749 120.500 -0.218 0.000 2.599 11 R HA 0.607 4.947 4.340 -0.000 0.000 0.295 11 R C 0.454 176.700 176.300 -0.090 0.000 0.963 11 R CA -0.311 55.776 56.100 -0.021 0.000 0.883 11 R CB 1.738 32.162 30.300 0.207 0.000 1.171 11 R HN 0.777 nan 8.270 nan 0.000 0.450 12 G N 0.675 109.401 108.800 -0.123 0.000 2.543 12 G HA2 0.183 4.143 3.960 -0.000 0.000 0.290 12 G HA3 0.183 4.143 3.960 -0.000 0.000 0.290 12 G C 0.805 175.671 174.900 -0.056 0.000 1.310 12 G CA -0.612 44.398 45.100 -0.149 0.000 1.025 12 G HN 0.404 nan 8.290 nan 0.000 0.502 13 V N -0.304 119.587 119.914 -0.038 0.000 2.490 13 V HA -0.085 4.035 4.120 -0.000 0.000 0.250 13 V C 2.274 178.389 176.094 0.034 0.000 1.061 13 V CA 1.016 63.323 62.300 0.011 0.000 1.064 13 V CB -0.373 31.464 31.823 0.022 0.000 0.670 13 V HN 0.320 nan 8.190 nan 0.000 0.461 14 L N 0.706 121.949 121.223 0.034 0.000 2.645 14 L HA 0.374 4.714 4.340 -0.000 0.000 0.234 14 L C 1.756 178.641 176.870 0.025 0.000 1.165 14 L CA 1.090 55.952 54.840 0.036 0.000 0.944 14 L CB -0.742 41.344 42.059 0.045 0.000 1.149 14 L HN 0.437 nan 8.230 nan 0.000 0.446 15 G N -1.134 107.681 108.800 0.024 0.000 2.168 15 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.263 15 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.263 15 G C 0.240 175.153 174.900 0.021 0.000 0.977 15 G CA 0.295 45.413 45.100 0.031 0.000 0.659 15 G HN 0.387 nan 8.290 nan 0.000 0.533 16 D N 0.255 120.653 120.400 -0.004 0.000 2.302 16 D HA 0.340 4.980 4.640 -0.000 0.000 0.248 16 D C 0.565 176.840 176.300 -0.042 0.000 1.094 16 D CA -0.038 53.948 54.000 -0.024 0.000 0.897 16 D CB 1.061 41.832 40.800 -0.049 0.000 1.200 16 D HN 0.463 nan 8.370 nan 0.000 0.429 17 Q N 1.608 121.400 119.800 -0.014 0.000 2.261 17 Q HA 0.268 4.608 4.340 -0.000 0.000 0.252 17 Q C -0.646 175.285 176.000 -0.116 0.000 0.915 17 Q CA -0.434 55.373 55.803 0.006 0.000 0.915 17 Q CB 0.753 29.553 28.738 0.104 0.000 1.204 17 Q HN 0.431 nan 8.270 nan 0.000 0.421 18 K N 1.969 122.256 120.400 -0.189 0.000 2.556 18 K HA 0.423 4.743 4.320 -0.000 0.000 0.274 18 K C -1.210 175.288 176.600 -0.171 0.000 0.966 18 K CA -1.042 55.078 56.287 -0.279 0.000 0.865 18 K CB 0.940 32.989 32.500 -0.753 0.000 1.444 18 K HN 0.398 nan 8.250 nan 0.000 0.433 19 N N 2.101 120.770 118.700 -0.051 0.000 2.514 19 N HA 0.299 5.039 4.740 -0.000 0.000 0.277 19 N C -0.206 175.346 175.510 0.071 0.000 1.126 19 N CA -0.329 52.727 53.050 0.010 0.000 0.978 19 N CB 0.692 39.209 38.487 0.050 0.000 1.106 19 N HN 0.556 nan 8.380 nan 0.000 0.461 20 I N -1.195 119.370 120.570 -0.008 0.000 2.569 20 I HA 0.468 4.638 4.170 -0.000 0.000 0.296 20 I C -0.560 175.561 176.117 0.007 0.000 1.028 20 I CA -0.929 60.372 61.300 0.002 0.000 1.082 20 I CB 1.438 39.349 38.000 -0.148 0.000 1.264 20 I HN 0.196 nan 8.210 nan 0.000 0.429 21 N N 3.763 122.489 118.700 0.043 0.000 2.430 21 N HA 0.465 5.205 4.740 -0.000 0.000 0.265 21 N C 0.016 175.585 175.510 0.098 0.000 1.100 21 N CA -0.014 53.063 53.050 0.044 0.000 0.961 21 N CB 1.169 39.646 38.487 -0.016 0.000 1.075 21 N HN 0.821 nan 8.380 nan 0.000 0.478 22 T N -1.488 113.122 114.554 0.094 0.000 2.858 22 T HA 0.614 4.964 4.350 -0.000 0.000 0.285 22 T C -0.381 174.430 174.700 0.185 0.000 1.052 22 T CA -0.814 61.367 62.100 0.135 0.000 1.009 22 T CB 1.659 70.659 68.868 0.219 0.000 1.241 22 T HN 0.163 nan 8.240 nan 0.000 0.542 23 T N 1.483 116.186 114.554 0.248 0.000 2.841 23 T HA 0.468 4.818 4.350 -0.000 0.000 0.285 23 T C -1.903 172.988 174.700 0.318 0.000 0.991 23 T CA -0.463 61.777 62.100 0.233 0.000 0.966 23 T CB 0.804 69.758 68.868 0.145 0.000 0.962 23 T HN 0.634 nan 8.240 nan 0.000 0.438 24 Y N 2.423 122.780 120.300 0.094 0.000 2.331 24 Y HA 0.616 5.166 4.550 -0.000 0.000 0.338 24 Y C -0.069 175.820 175.900 -0.017 0.000 0.992 24 Y CA -0.605 57.439 58.100 -0.094 0.000 1.121 24 Y CB 1.274 39.562 38.460 -0.287 0.000 1.184 24 Y HN 0.575 nan 8.280 nan 0.000 0.469 25 S N 4.793 120.065 115.700 -0.714 0.000 2.417 25 S HA 0.363 4.833 4.470 -0.000 0.000 0.189 25 S C 0.041 174.353 174.600 -0.480 0.000 1.005 25 S CA 0.294 58.145 58.200 -0.581 0.000 1.116 25 S CB -0.270 62.840 63.200 -0.150 0.000 1.343 25 S HN 1.045 nan 8.310 nan 0.000 0.406 26 T N 1.986 116.019 114.554 -0.869 0.000 12.892 26 T HA -0.263 4.087 4.350 -0.000 0.000 0.418 26 T C 0.057 174.492 174.700 -0.443 0.000 1.450 26 T CA 2.018 63.839 62.100 -0.466 0.000 2.382 26 T CB -1.534 67.236 68.868 -0.163 0.000 2.816 26 T HN 0.665 nan 8.240 nan 0.000 0.702 27 Y N -0.128 119.990 120.300 -0.304 0.000 2.568 27 Y HA 0.609 5.159 4.550 -0.000 0.000 0.327 27 Y C -0.033 175.642 175.900 -0.375 0.000 1.163 27 Y CA -1.157 56.760 58.100 -0.305 0.000 1.219 27 Y CB 0.776 38.928 38.460 -0.513 0.000 1.308 27 Y HN 0.221 nan 8.280 nan 0.000 0.503 28 Y N 0.709 121.071 120.300 0.103 0.000 2.341 28 Y HA 0.322 4.872 4.550 -0.000 0.000 0.340 28 Y C -0.949 174.949 175.900 -0.004 0.000 0.997 28 Y CA -0.891 57.306 58.100 0.161 0.000 1.149 28 Y CB 0.091 38.699 38.460 0.245 0.000 1.171 28 Y HN 0.369 nan 8.280 nan 0.000 0.494 29 Y N 2.230 122.733 120.300 0.339 0.000 2.419 29 Y HA 0.368 4.917 4.550 -0.000 0.000 0.328 29 Y C 0.153 176.115 175.900 0.104 0.000 1.162 29 Y CA -1.107 57.127 58.100 0.222 0.000 1.174 29 Y CB 1.000 39.522 38.460 0.103 0.000 1.228 29 Y HN 0.415 nan 8.280 nan 0.000 0.473 30 L N 3.468 124.752 121.223 0.103 0.000 2.384 30 L HA 0.171 4.511 4.340 -0.000 0.000 0.258 30 L C -0.276 176.445 176.870 -0.249 0.000 1.266 30 L CA 0.304 54.888 54.840 -0.428 0.000 1.162 30 L CB -0.431 41.221 42.059 -0.678 0.000 1.375 30 L HN 0.578 nan 8.230 nan 0.000 0.420 31 Q N 1.731 121.479 119.800 -0.086 0.000 2.294 31 Q HA 0.167 4.507 4.340 -0.000 0.000 0.264 31 Q C -1.338 174.598 176.000 -0.107 0.000 0.992 31 Q CA -0.690 55.000 55.803 -0.188 0.000 0.747 31 Q CB 2.031 30.641 28.738 -0.212 0.000 1.262 31 Q HN 0.246 nan 8.270 nan 0.000 0.452 32 D N 3.232 123.549 120.400 -0.139 0.000 2.396 32 D HA 0.168 4.808 4.640 -0.000 0.000 0.225 32 D C -0.198 175.954 176.300 -0.247 0.000 1.121 32 D CA -0.124 53.785 54.000 -0.152 0.000 0.853 32 D CB 0.750 41.382 40.800 -0.280 0.000 1.043 32 D HN 0.679 nan 8.370 nan 0.000 0.500 33 N N 1.141 119.742 118.700 -0.165 0.000 2.461 33 N HA -0.071 4.669 4.740 -0.000 0.000 0.188 33 N C 1.412 176.845 175.510 -0.127 0.000 1.134 33 N CA 0.498 53.464 53.050 -0.140 0.000 0.878 33 N CB 0.408 38.852 38.487 -0.071 0.000 0.972 33 N HN 0.440 nan 8.380 nan 0.000 0.456 34 T N -1.876 112.590 114.554 -0.147 0.000 3.113 34 T HA 0.135 4.485 4.350 -0.000 0.000 0.256 34 T C 0.628 175.201 174.700 -0.212 0.000 1.131 34 T CA 0.073 62.092 62.100 -0.136 0.000 1.074 34 T CB 0.119 68.922 68.868 -0.107 0.000 0.944 34 T HN 0.003 nan 8.240 nan 0.000 0.516 35 R N 0.921 121.210 120.500 -0.351 0.000 2.435 35 R HA 0.550 4.890 4.340 -0.000 0.000 0.308 35 R C 1.053 177.028 176.300 -0.540 0.000 0.975 35 R CA -0.193 55.490 56.100 -0.695 0.000 0.867 35 R CB 1.382 30.988 30.300 -1.157 0.000 1.171 35 R HN 0.351 nan 8.270 nan 0.000 0.470 36 G N 2.755 111.402 108.800 -0.255 0.000 2.594 36 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.297 36 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.297 36 G C 0.107 174.984 174.900 -0.037 0.000 1.273 36 G CA 0.435 45.514 45.100 -0.034 0.000 0.974 36 G HN 0.640 nan 8.290 nan 0.000 0.552 37 D N 2.685 123.095 120.400 0.017 0.000 2.338 37 D HA 0.443 5.083 4.640 -0.000 0.000 0.239 37 D C 1.211 177.603 176.300 0.154 0.000 1.095 37 D CA 1.937 55.982 54.000 0.075 0.000 0.888 37 D CB -0.330 40.530 40.800 0.100 0.000 0.899 37 D HN 1.712 nan 8.370 nan 0.000 0.525 38 G N 0.147 108.960 108.800 0.021 0.000 2.592 38 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.685 38 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.685 38 G C -0.989 173.862 174.900 -0.083 0.000 1.278 38 G CA -1.022 43.999 45.100 -0.131 0.000 0.822 38 G HN 0.100 nan 8.290 nan 0.000 0.652 39 I N 0.841 121.227 120.570 -0.307 0.000 2.378 39 I HA 0.589 4.759 4.170 -0.000 0.000 0.291 39 I C -0.637 175.386 176.117 -0.157 0.000 0.992 39 I CA -0.699 60.536 61.300 -0.108 0.000 1.154 39 I CB 1.500 39.355 38.000 -0.242 0.000 1.315 39 I HN 0.313 nan 8.210 nan 0.000 0.448 40 F N 3.238 123.300 119.950 0.186 0.000 2.477 40 F HA 0.456 4.983 4.527 -0.000 0.000 0.335 40 F C 0.220 176.110 175.800 0.151 0.000 1.130 40 F CA -0.614 57.463 58.000 0.128 0.000 0.948 40 F CB 2.117 41.194 39.000 0.129 0.000 1.154 40 F HN 0.223 nan 8.300 nan 0.000 0.439 41 T N 2.920 117.556 114.554 0.136 0.000 2.807 41 T HA 0.558 4.908 4.350 -0.000 0.000 0.279 41 T C -1.207 173.528 174.700 0.058 0.000 0.993 41 T CA -0.633 61.569 62.100 0.171 0.000 0.970 41 T CB 0.765 69.685 68.868 0.085 0.000 0.950 41 T HN 0.239 nan 8.240 nan 0.000 0.441 42 Y N 0.775 121.258 120.300 0.304 0.000 2.509 42 Y HA 0.494 5.044 4.550 -0.000 0.000 0.341 42 Y C 0.201 176.357 175.900 0.427 0.000 1.038 42 Y CA -1.383 56.917 58.100 0.334 0.000 1.089 42 Y CB 1.173 39.759 38.460 0.211 0.000 1.241 42 Y HN 0.462 nan 8.280 nan 0.000 0.468 43 D N 0.866 121.586 120.400 0.533 0.000 2.359 43 D HA 0.420 5.060 4.640 -0.000 0.000 0.230 43 D C 0.250 176.701 176.300 0.252 0.000 1.118 43 D CA -0.067 54.164 54.000 0.386 0.000 0.844 43 D CB 1.598 42.388 40.800 -0.018 0.000 1.059 43 D HN 0.687 nan 8.370 nan 0.000 0.493 44 A N 3.886 126.864 122.820 0.263 0.000 2.218 44 A HA 0.059 4.379 4.320 -0.000 0.000 0.209 44 A C 0.958 178.607 177.584 0.109 0.000 1.168 44 A CA 0.196 52.346 52.037 0.188 0.000 0.804 44 A CB -0.272 18.879 19.000 0.251 0.000 0.834 44 A HN 0.755 nan 8.150 nan 0.000 0.482 45 K N -2.557 117.882 120.400 0.066 0.000 3.129 45 K HA -0.267 4.053 4.320 -0.000 0.000 0.273 45 K C -0.512 176.018 176.600 -0.115 0.000 1.123 45 K CA 0.652 56.876 56.287 -0.105 0.000 0.800 45 K CB -2.159 30.306 32.500 -0.059 0.000 1.238 45 K HN 0.587 nan 8.250 nan 0.000 0.492 46 Y N -3.133 117.268 120.300 0.170 0.000 4.798 46 Y HA -0.359 4.190 4.550 -0.001 0.000 0.237 46 Y C 0.685 176.575 175.900 -0.017 0.000 1.017 46 Y CA 1.476 59.632 58.100 0.092 0.000 2.010 46 Y CB -2.070 36.439 38.460 0.081 0.000 1.582 46 Y HN 0.341 nan 8.280 nan 0.000 0.621 47 R N -0.510 120.029 120.500 0.065 0.000 2.843 47 R HA 0.685 5.025 4.340 -0.000 0.000 0.232 47 R C 1.320 177.499 176.300 -0.203 0.000 1.305 47 R CA 0.100 56.172 56.100 -0.046 0.000 1.096 47 R CB 0.531 30.828 30.300 -0.004 0.000 1.455 47 R HN 0.172 nan 8.270 nan 0.000 0.520 48 T N -3.184 111.248 114.554 -0.202 0.000 3.084 48 T HA 0.110 4.460 4.350 -0.000 0.000 0.270 48 T C 0.320 175.052 174.700 0.053 0.000 1.008 48 T CA -0.314 61.634 62.100 -0.253 0.000 0.900 48 T CB 0.248 68.944 68.868 -0.287 0.000 1.084 48 T HN 0.320 nan 8.240 nan 0.000 0.538 49 T N 3.284 117.857 114.554 0.031 0.000 2.851 49 T HA 0.534 4.884 4.350 -0.000 0.000 0.298 49 T C -0.295 174.440 174.700 0.059 0.000 0.977 49 T CA -0.186 61.938 62.100 0.041 0.000 1.126 49 T CB 0.536 69.413 68.868 0.014 0.000 0.916 49 T HN 0.296 nan 8.240 nan 0.000 0.529 50 L N 5.486 126.724 121.223 0.024 0.000 2.346 50 L HA 0.414 4.753 4.340 -0.000 0.000 0.274 50 L C -0.959 175.839 176.870 -0.119 0.000 1.007 50 L CA -1.958 52.859 54.840 -0.039 0.000 0.818 50 L CB 2.092 44.112 42.059 -0.065 0.000 1.284 50 L HN 0.500 nan 8.230 nan 0.000 0.424 51 P HA 0.138 nan 4.420 nan 0.000 0.245 51 P C 0.631 177.860 177.300 -0.118 0.000 1.206 51 P CA 0.579 63.481 63.100 -0.330 0.000 0.781 51 P CB 0.684 31.838 31.700 -0.909 0.000 0.994 52 G N 0.355 109.145 108.800 -0.017 0.000 2.553 52 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.242 52 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.242 52 G C -0.603 174.423 174.900 0.210 0.000 1.277 52 G CA -0.259 44.899 45.100 0.096 0.000 0.910 52 G HN 0.312 nan 8.290 nan 0.000 0.576 53 S N -0.165 115.682 115.700 0.246 0.000 2.489 53 S HA 0.539 5.009 4.470 -0.000 0.000 0.291 53 S C 0.277 175.069 174.600 0.320 0.000 1.151 53 S CA -0.396 57.946 58.200 0.237 0.000 1.082 53 S CB 1.573 64.808 63.200 0.058 0.000 1.019 53 S HN 1.151 nan 8.310 nan 0.000 0.492 54 L N 4.852 126.223 121.223 0.247 0.000 2.559 54 L HA 0.080 4.420 4.340 -0.000 0.000 0.274 54 L C -0.033 176.937 176.870 0.166 0.000 1.205 54 L CA 0.129 54.925 54.840 -0.073 0.000 0.907 54 L CB -0.057 41.951 42.059 -0.084 0.000 1.153 54 L HN 0.733 nan 8.230 nan 0.000 0.490 55 W N 7.137 128.424 121.300 -0.021 0.000 2.397 55 W HA 0.390 5.050 4.660 0.001 0.000 0.327 55 W C -0.523 176.042 176.519 0.078 0.000 1.421 55 W CA -0.180 57.199 57.345 0.058 0.000 1.288 55 W CB 0.511 29.982 29.460 0.018 0.000 1.312 55 W HN 0.758 nan 8.180 nan 0.000 0.559 56 A N 5.787 128.533 122.820 -0.124 0.000 2.350 56 A HA 0.459 4.779 4.320 -0.000 0.000 0.324 56 A C -1.104 176.378 177.584 -0.170 0.000 1.118 56 A CA -0.554 51.274 52.037 -0.349 0.000 0.783 56 A CB 1.541 20.109 19.000 -0.720 0.000 1.236 56 A HN 0.606 nan 8.150 nan 0.000 0.457 57 D N 1.582 121.997 120.400 0.026 0.000 2.934 57 D HA 0.485 5.125 4.640 -0.000 0.000 0.230 57 D C 0.689 177.140 176.300 0.252 0.000 1.204 57 D CA 0.135 54.186 54.000 0.085 0.000 0.873 57 D CB 2.360 43.068 40.800 -0.154 0.000 1.645 57 D HN 0.444 nan 8.370 nan 0.000 0.502 58 A N 3.040 125.986 122.820 0.209 0.000 1.969 58 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 58 A C 1.163 178.863 177.584 0.192 0.000 1.169 58 A CA 1.796 53.947 52.037 0.190 0.000 0.635 58 A CB -0.021 19.033 19.000 0.091 0.000 0.810 58 A HN 0.652 nan 8.150 nan 0.000 0.445 59 D N -3.960 116.442 120.400 0.002 0.000 2.527 59 D HA 0.060 4.700 4.640 -0.000 0.000 0.224 59 D C 0.385 176.375 176.300 -0.516 0.000 1.217 59 D CA 0.210 54.123 54.000 -0.146 0.000 0.819 59 D CB -0.704 40.034 40.800 -0.103 0.000 1.061 59 D HN 0.123 nan 8.370 nan 0.000 0.515 60 N N 0.156 118.440 118.700 -0.694 0.000 2.778 60 N HA -0.208 4.532 4.740 -0.000 0.000 0.249 60 N C -1.090 174.184 175.510 -0.394 0.000 1.069 60 N CA 0.912 53.569 53.050 -0.655 0.000 0.831 60 N CB -1.087 36.742 38.487 -1.096 0.000 1.142 60 N HN 0.565 nan 8.380 nan 0.000 0.573 61 Q N -0.532 118.971 119.800 -0.494 0.000 2.307 61 Q HA 0.444 4.784 4.340 -0.000 0.000 0.262 61 Q C -0.675 174.996 176.000 -0.548 0.000 0.961 61 Q CA -0.382 55.231 55.803 -0.316 0.000 0.882 61 Q CB 0.739 29.461 28.738 -0.027 0.000 1.264 61 Q HN 0.218 nan 8.270 nan 0.000 0.446 62 F N 2.212 121.880 119.950 -0.471 0.000 2.471 62 F HA 0.328 4.855 4.527 -0.000 0.000 0.318 62 F C -0.238 175.308 175.800 -0.424 0.000 1.308 62 F CA -0.444 57.351 58.000 -0.341 0.000 1.162 62 F CB 0.229 39.034 39.000 -0.324 0.000 1.383 62 F HN 0.545 nan 8.300 nan 0.000 0.552 63 F N 0.392 120.408 119.950 0.110 0.000 2.682 63 F HA 0.457 4.984 4.527 -0.000 0.000 0.308 63 F C 1.356 177.209 175.800 0.088 0.000 1.093 63 F CA -0.633 57.412 58.000 0.074 0.000 1.244 63 F CB -0.151 38.870 39.000 0.036 0.000 1.052 63 F HN 0.192 nan 8.300 nan 0.000 0.573 64 A N -0.146 122.821 122.820 0.245 0.000 2.407 64 A HA 0.352 4.672 4.320 -0.000 0.000 0.248 64 A C 1.547 179.276 177.584 0.240 0.000 1.082 64 A CA 0.172 52.348 52.037 0.232 0.000 0.785 64 A CB 0.295 19.441 19.000 0.243 0.000 1.020 64 A HN 0.214 nan 8.150 nan 0.000 0.489 65 S N 0.118 115.952 115.700 0.224 0.000 2.365 65 S HA -0.238 4.232 4.470 -0.000 0.000 0.225 65 S C 1.693 176.468 174.600 0.290 0.000 1.039 65 S CA 2.209 60.541 58.200 0.220 0.000 1.033 65 S CB -0.686 62.636 63.200 0.204 0.000 0.887 65 S HN 0.778 nan 8.310 nan 0.000 0.447 66 Y N 2.507 122.955 120.300 0.248 0.000 2.241 66 Y HA -0.218 4.332 4.550 0.000 0.000 0.286 66 Y C 1.746 177.964 175.900 0.529 0.000 1.166 66 Y CA 1.646 59.962 58.100 0.361 0.000 1.203 66 Y CB -0.334 38.260 38.460 0.224 0.000 0.977 66 Y HN 0.225 nan 8.280 nan 0.000 0.529 67 D N -0.507 120.136 120.400 0.405 0.000 2.224 67 D HA -0.079 4.561 4.640 -0.000 0.000 0.205 67 D C 2.283 178.525 176.300 -0.097 0.000 0.965 67 D CA 1.087 55.218 54.000 0.218 0.000 0.852 67 D CB -0.518 40.444 40.800 0.270 0.000 0.947 67 D HN 0.448 nan 8.370 nan 0.000 0.494 68 A N 1.736 124.550 122.820 -0.010 0.000 1.883 68 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 68 A C -0.210 177.252 177.584 -0.203 0.000 1.186 68 A CA 1.355 53.339 52.037 -0.088 0.000 0.624 68 A CB -1.471 17.524 19.000 -0.007 0.000 0.822 68 A HN 0.197 nan 8.150 nan 0.000 0.444 69 P HA -0.058 nan 4.420 nan 0.000 0.218 69 P C 1.655 178.702 177.300 -0.422 0.000 1.149 69 P CA 1.732 64.648 63.100 -0.307 0.000 0.817 69 P CB -0.107 31.373 31.700 -0.367 0.000 0.785 70 A N -0.428 122.040 122.820 -0.587 0.000 1.902 70 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 70 A C 2.355 179.581 177.584 -0.596 0.000 1.181 70 A CA 1.696 53.280 52.037 -0.754 0.000 0.623 70 A CB -1.733 16.251 19.000 -1.694 0.000 0.818 70 A HN 0.012 nan 8.150 nan 0.000 0.443 71 V N 0.683 120.256 119.914 -0.568 0.000 2.282 71 V HA -0.290 3.830 4.120 -0.000 0.000 0.249 71 V C 2.228 178.097 176.094 -0.374 0.000 1.057 71 V CA 2.529 64.546 62.300 -0.472 0.000 1.032 71 V CB -0.754 30.829 31.823 -0.401 0.000 0.645 71 V HN 0.517 nan 8.190 nan 0.000 0.447 72 D N -0.188 119.977 120.400 -0.391 0.000 2.149 72 D HA -0.044 4.596 4.640 -0.000 0.000 0.201 72 D C 2.219 178.313 176.300 -0.343 0.000 0.972 72 D CA 1.450 55.158 54.000 -0.486 0.000 0.835 72 D CB -0.350 40.262 40.800 -0.313 0.000 0.966 72 D HN 0.418 nan 8.370 nan 0.000 0.476 73 A N 0.313 122.945 122.820 -0.313 0.000 1.908 73 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 73 A C 2.064 179.612 177.584 -0.059 0.000 1.181 73 A CA 1.955 53.837 52.037 -0.258 0.000 0.627 73 A CB -0.876 17.934 19.000 -0.316 0.000 0.818 73 A HN 0.282 nan 8.150 nan 0.000 0.445 74 H N -2.479 116.466 119.070 -0.208 0.000 2.299 74 H HA -0.154 4.402 4.556 0.000 0.000 0.302 74 H C 1.875 177.124 175.328 -0.133 0.000 1.078 74 H CA 2.221 58.169 56.048 -0.166 0.000 1.323 74 H CB -0.437 29.165 29.762 -0.267 0.000 1.381 74 H HN 0.561 nan 8.280 nan 0.000 0.498 75 Y N -0.527 119.619 120.300 -0.258 0.000 2.200 75 Y HA -0.269 4.281 4.550 -0.000 0.000 0.290 75 Y C 1.561 177.356 175.900 -0.174 0.000 1.137 75 Y CA 1.594 59.512 58.100 -0.302 0.000 1.163 75 Y CB -0.270 37.922 38.460 -0.447 0.000 0.988 75 Y HN 0.249 nan 8.280 nan 0.000 0.518 76 Y N -0.773 119.558 120.300 0.052 0.000 2.395 76 Y HA 0.051 4.601 4.550 -0.000 0.000 0.293 76 Y C 2.495 178.394 175.900 -0.002 0.000 1.123 76 Y CA 0.309 58.425 58.100 0.027 0.000 1.227 76 Y CB -1.262 37.231 38.460 0.056 0.000 1.012 76 Y HN 0.207 nan 8.280 nan 0.000 0.552 77 A N 0.255 123.153 122.820 0.130 0.000 1.940 77 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 77 A C 2.625 180.244 177.584 0.058 0.000 1.176 77 A CA 1.869 53.972 52.037 0.111 0.000 0.631 77 A CB -1.351 17.703 19.000 0.091 0.000 0.814 77 A HN 0.450 nan 8.150 nan 0.000 0.446 78 G N -0.820 107.922 108.800 -0.098 0.000 2.402 78 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.216 78 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.216 78 G C 1.474 176.355 174.900 -0.031 0.000 1.162 78 G CA 1.116 46.127 45.100 -0.148 0.000 0.777 78 G HN 0.316 nan 8.290 nan 0.000 0.539 79 V N 1.017 120.901 119.914 -0.051 0.000 2.427 79 V HA -0.149 3.971 4.120 -0.000 0.000 0.248 79 V C 3.123 179.303 176.094 0.145 0.000 1.051 79 V CA 2.268 64.614 62.300 0.077 0.000 1.048 79 V CB -0.741 31.173 31.823 0.152 0.000 0.666 79 V HN 0.367 nan 8.190 nan 0.000 0.456 80 T N -0.938 113.708 114.554 0.155 0.000 2.821 80 T HA -0.190 4.160 4.350 -0.000 0.000 0.267 80 T C 1.743 176.603 174.700 0.266 0.000 1.046 80 T CA 1.726 63.936 62.100 0.183 0.000 1.139 80 T CB -0.353 68.646 68.868 0.217 0.000 0.871 80 T HN 0.573 nan 8.240 nan 0.000 0.454 81 Y N 2.463 122.838 120.300 0.126 0.000 2.165 81 Y HA -0.206 4.344 4.550 -0.000 0.000 0.286 81 Y C 1.921 177.851 175.900 0.049 0.000 1.155 81 Y CA 1.564 59.720 58.100 0.094 0.000 1.164 81 Y CB -0.411 38.062 38.460 0.022 0.000 0.978 81 Y HN 0.114 nan 8.280 nan 0.000 0.513 82 D N -1.062 119.464 120.400 0.210 0.000 2.144 82 D HA -0.211 4.428 4.640 -0.000 0.000 0.200 82 D C 1.889 178.089 176.300 -0.166 0.000 0.978 82 D CA 1.548 55.608 54.000 0.100 0.000 0.833 82 D CB -0.739 40.187 40.800 0.210 0.000 0.961 82 D HN 0.546 nan 8.370 nan 0.000 0.470 83 Y N 0.173 120.191 120.300 -0.470 0.000 2.114 83 Y HA -0.303 4.247 4.550 -0.000 0.000 0.284 83 Y C 2.000 177.575 175.900 -0.542 0.000 1.143 83 Y CA 1.584 59.155 58.100 -0.882 0.000 1.135 83 Y CB -0.583 37.351 38.460 -0.877 0.000 0.980 83 Y HN -0.056 nan 8.280 nan 0.000 0.499 84 Y N 0.802 120.902 120.300 -0.333 0.000 2.224 84 Y HA -0.192 4.358 4.550 -0.000 0.000 0.289 84 Y C 2.675 178.290 175.900 -0.476 0.000 1.146 84 Y CA 2.068 59.935 58.100 -0.388 0.000 1.182 84 Y CB -0.443 37.882 38.460 -0.225 0.000 0.983 84 Y HN 0.153 nan 8.280 nan 0.000 0.524 85 K N -0.094 120.096 120.400 -0.351 0.000 2.044 85 K HA -0.132 4.188 4.320 -0.000 0.000 0.204 85 K C 1.640 178.079 176.600 -0.269 0.000 1.049 85 K CA 1.451 57.542 56.287 -0.327 0.000 0.945 85 K CB -0.038 32.240 32.500 -0.370 0.000 0.724 85 K HN 0.200 nan 8.250 nan 0.000 0.440 86 N N 0.306 118.845 118.700 -0.269 0.000 2.250 86 N HA -0.092 4.648 4.740 -0.000 0.000 0.181 86 N C 1.795 177.112 175.510 -0.321 0.000 1.017 86 N CA 1.044 53.975 53.050 -0.200 0.000 0.866 86 N CB 0.023 38.478 38.487 -0.055 0.000 0.985 86 N HN 0.027 nan 8.380 nan 0.000 0.429 87 V N 0.332 119.889 119.914 -0.594 0.000 2.500 87 V HA -0.040 4.080 4.120 -0.000 0.000 0.243 87 V C 1.147 176.670 176.094 -0.951 0.000 1.039 87 V CA 1.146 62.955 62.300 -0.818 0.000 1.053 87 V CB -0.244 30.834 31.823 -1.241 0.000 0.695 87 V HN 0.356 nan 8.190 nan 0.000 0.463 88 H N -0.712 117.997 119.070 -0.601 0.000 2.784 88 H HA 0.286 4.842 4.556 -0.000 0.000 0.273 88 H C 0.898 175.952 175.328 -0.457 0.000 1.112 88 H CA 0.077 55.725 56.048 -0.667 0.000 1.162 88 H CB -0.107 28.906 29.762 -1.250 0.000 1.586 88 H HN 0.508 nan 8.280 nan 0.000 0.548 89 N N 1.456 119.999 118.700 -0.262 0.000 2.740 89 N HA -0.203 4.537 4.740 -0.000 0.000 0.248 89 N C -0.211 175.220 175.510 -0.132 0.000 1.062 89 N CA 0.066 53.016 53.050 -0.166 0.000 0.704 89 N CB -0.296 38.124 38.487 -0.111 0.000 0.968 89 N HN 0.346 nan 8.380 nan 0.000 0.547 90 R N 1.203 121.607 120.500 -0.160 0.000 2.387 90 R HA 0.395 4.735 4.340 -0.000 0.000 0.314 90 R C -0.423 175.741 176.300 -0.225 0.000 0.958 90 R CA -0.572 55.457 56.100 -0.118 0.000 0.846 90 R CB 0.785 31.070 30.300 -0.025 0.000 1.147 90 R HN 0.184 nan 8.270 nan 0.000 0.447 91 L N 4.490 125.586 121.223 -0.212 0.000 2.288 91 L HA 0.229 4.569 4.340 -0.000 0.000 0.283 91 L C 0.396 177.125 176.870 -0.234 0.000 1.072 91 L CA -0.057 54.631 54.840 -0.253 0.000 0.862 91 L CB 0.920 42.916 42.059 -0.105 0.000 1.245 91 L HN 0.992 nan 8.230 nan 0.000 0.432 92 S N 1.923 117.425 115.700 -0.330 0.000 3.513 92 S HA -0.304 4.166 4.470 -0.000 0.000 0.636 92 S C 0.922 175.341 174.600 -0.301 0.000 2.452 92 S CA 1.195 59.283 58.200 -0.187 0.000 2.644 92 S CB -0.450 62.698 63.200 -0.088 0.000 0.331 92 S HN 0.697 nan 8.310 nan 0.000 1.787 93 Y N 0.915 121.072 120.300 -0.238 0.000 2.314 93 Y HA 0.165 4.715 4.550 -0.000 0.000 0.293 93 Y C 1.921 177.572 175.900 -0.415 0.000 1.129 93 Y CA 1.290 59.177 58.100 -0.355 0.000 1.201 93 Y CB -0.652 37.617 38.460 -0.320 0.000 0.999 93 Y HN 0.625 nan 8.280 nan 0.000 0.541 94 D N -0.361 119.611 120.400 -0.713 0.000 2.339 94 D HA 0.121 4.761 4.640 -0.000 0.000 0.217 94 D C 1.841 177.909 176.300 -0.387 0.000 1.050 94 D CA 0.477 53.978 54.000 -0.831 0.000 0.856 94 D CB -0.208 39.833 40.800 -1.265 0.000 0.922 94 D HN 0.536 nan 8.370 nan 0.000 0.518 95 G N 1.196 109.818 108.800 -0.298 0.000 2.175 95 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.265 95 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.265 95 G C 0.494 175.300 174.900 -0.157 0.000 0.979 95 G CA 0.456 45.445 45.100 -0.184 0.000 0.663 95 G HN 0.568 nan 8.290 nan 0.000 0.533 96 N N 0.135 118.716 118.700 -0.199 0.000 2.433 96 N HA 0.156 4.896 4.740 -0.000 0.000 0.270 96 N C 0.704 176.138 175.510 -0.126 0.000 1.354 96 N CA 0.256 53.226 53.050 -0.134 0.000 0.889 96 N CB -0.209 38.210 38.487 -0.112 0.000 1.285 96 N HN 0.416 nan 8.380 nan 0.000 0.503 97 N N 0.156 118.781 118.700 -0.124 0.000 2.741 97 N HA -0.187 4.553 4.740 -0.000 0.000 0.250 97 N C -0.256 175.193 175.510 -0.102 0.000 1.115 97 N CA 0.234 53.259 53.050 -0.040 0.000 0.724 97 N CB -0.752 37.749 38.487 0.023 0.000 1.090 97 N HN 0.379 nan 8.380 nan 0.000 0.558 98 A N 0.355 123.000 122.820 -0.291 0.000 2.587 98 A HA 0.439 4.759 4.320 -0.000 0.000 0.233 98 A C 1.044 178.551 177.584 -0.127 0.000 1.049 98 A CA 0.607 52.456 52.037 -0.314 0.000 0.754 98 A CB 0.233 18.806 19.000 -0.712 0.000 0.977 98 A HN 0.541 nan 8.150 nan 0.000 0.509 99 A N 1.851 124.702 122.820 0.052 0.000 2.498 99 A HA 0.470 4.790 4.320 -0.000 0.000 0.239 99 A C 0.060 177.862 177.584 0.364 0.000 1.068 99 A CA 0.121 52.303 52.037 0.241 0.000 0.766 99 A CB -0.228 18.906 19.000 0.223 0.000 1.003 99 A HN 0.737 nan 8.150 nan 0.000 0.497 100 I N 2.870 123.698 120.570 0.430 0.000 2.354 100 I HA 0.314 4.484 4.170 -0.000 0.000 0.286 100 I C 0.212 176.618 176.117 0.482 0.000 1.007 100 I CA -0.068 61.529 61.300 0.494 0.000 1.167 100 I CB 1.182 39.415 38.000 0.388 0.000 1.320 100 I HN 0.676 nan 8.210 nan 0.000 0.458 101 R N 4.310 125.084 120.500 0.456 0.000 2.514 101 R HA 0.713 5.053 4.340 -0.000 0.000 0.301 101 R C -0.942 175.570 176.300 0.354 0.000 0.962 101 R CA -0.672 55.697 56.100 0.448 0.000 0.882 101 R CB 2.198 32.687 30.300 0.315 0.000 1.143 101 R HN 0.464 nan 8.270 nan 0.000 0.452 102 S N 0.655 116.610 115.700 0.425 0.000 2.536 102 S HA 0.456 4.926 4.470 -0.000 0.000 0.287 102 S C -0.871 173.962 174.600 0.388 0.000 1.101 102 S CA -0.776 57.642 58.200 0.363 0.000 0.950 102 S CB 2.157 65.609 63.200 0.420 0.000 1.056 102 S HN 0.477 nan 8.310 nan 0.000 0.481 103 S N 1.730 117.575 115.700 0.241 0.000 2.482 103 S HA 0.757 5.227 4.470 -0.000 0.000 0.303 103 S C -0.068 174.691 174.600 0.264 0.000 1.091 103 S CA -0.768 57.586 58.200 0.256 0.000 1.057 103 S CB 1.443 64.717 63.200 0.122 0.000 1.031 103 S HN 0.703 nan 8.310 nan 0.000 0.485 104 V N 0.041 120.112 119.914 0.262 0.000 3.158 104 V HA 0.670 4.790 4.120 -0.000 0.000 0.315 104 V C -0.074 176.121 176.094 0.168 0.000 1.148 104 V CA -0.782 61.600 62.300 0.136 0.000 1.042 104 V CB 0.888 32.643 31.823 -0.113 0.000 1.101 104 V HN 0.982 nan 8.190 nan 0.000 0.448 105 H N -1.257 117.944 119.070 0.218 0.000 2.839 105 H HA -0.206 4.350 4.556 0.000 0.000 0.298 105 H C -0.585 174.905 175.328 0.270 0.000 1.224 105 H CA 1.216 57.388 56.048 0.206 0.000 1.144 105 H CB -1.728 28.007 29.762 -0.044 0.000 1.372 105 H HN 0.939 nan 8.280 nan 0.000 0.408 106 Y N 1.149 121.585 120.300 0.226 0.000 2.393 106 Y HA 0.357 4.907 4.550 0.001 0.000 0.338 106 Y C 1.118 177.119 175.900 0.168 0.000 1.029 106 Y CA 1.047 59.228 58.100 0.135 0.000 1.239 106 Y CB 0.684 39.156 38.460 0.019 0.000 1.170 106 Y HN 0.494 nan 8.280 nan 0.000 0.515 107 S N 3.638 119.117 115.700 -0.368 0.000 3.307 107 S HA -0.269 4.201 4.470 -0.000 0.000 0.634 107 S C -0.911 173.758 174.600 0.116 0.000 2.711 107 S CA 0.909 58.960 58.200 -0.249 0.000 2.940 107 S CB -0.619 62.284 63.200 -0.495 0.000 0.331 107 S HN 0.873 nan 8.310 nan 0.000 1.766 108 Q N 0.327 120.183 119.800 0.094 0.000 2.325 108 Q HA 0.510 4.850 4.340 -0.000 0.000 0.270 108 Q C 0.634 176.713 176.000 0.131 0.000 1.020 108 Q CA -0.022 55.827 55.803 0.077 0.000 0.785 108 Q CB 1.478 30.206 28.738 -0.017 0.000 1.259 108 Q HN 1.695 nan 8.270 nan 0.000 0.452 109 G N 2.004 110.893 108.800 0.149 0.000 2.225 109 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.267 109 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.267 109 G C -0.559 174.482 174.900 0.235 0.000 1.024 109 G CA 0.250 45.449 45.100 0.165 0.000 0.784 109 G HN 0.635 nan 8.290 nan 0.000 0.507 110 Y N 1.411 121.810 120.300 0.166 0.000 2.486 110 Y HA 0.394 4.944 4.550 0.000 0.000 0.348 110 Y C 0.681 176.683 175.900 0.169 0.000 1.000 110 Y CA -1.270 56.944 58.100 0.191 0.000 1.253 110 Y CB 0.380 39.013 38.460 0.288 0.000 1.140 110 Y HN 0.147 nan 8.280 nan 0.000 0.526 111 N N 6.098 124.677 118.700 -0.202 0.000 3.111 111 N HA 0.030 4.770 4.740 -0.000 0.000 0.302 111 N C -0.701 174.484 175.510 -0.541 0.000 1.317 111 N CA 0.235 53.203 53.050 -0.137 0.000 1.151 111 N CB -0.547 38.086 38.487 0.243 0.000 1.456 111 N HN 0.629 nan 8.380 nan 0.000 0.547 112 N N -0.338 117.922 118.700 -0.733 0.000 3.261 112 N HA 0.614 5.354 4.740 -0.000 0.000 0.248 112 N C -1.807 173.629 175.510 -0.122 0.000 1.498 112 N CA -0.400 52.328 53.050 -0.538 0.000 0.884 112 N CB 1.508 39.697 38.487 -0.497 0.000 1.428 112 N HN 0.108 nan 8.380 nan 0.000 0.517 113 A N -0.082 122.753 122.820 0.026 0.000 2.609 113 A HA 0.848 5.168 4.320 -0.000 0.000 0.291 113 A C -1.839 175.841 177.584 0.161 0.000 1.096 113 A CA -0.497 51.540 52.037 0.001 0.000 0.684 113 A CB 0.980 19.895 19.000 -0.142 0.000 1.282 113 A HN 0.739 nan 8.150 nan 0.000 0.412 114 F N -2.487 117.362 119.950 -0.168 0.000 2.770 114 F HA 0.681 5.208 4.527 -0.000 0.000 0.313 114 F C -1.449 174.332 175.800 -0.033 0.000 1.154 114 F CA -1.265 56.703 58.000 -0.053 0.000 0.923 114 F CB 0.922 39.879 39.000 -0.073 0.000 1.301 114 F HN 0.851 nan 8.300 nan 0.000 0.449 115 W N 4.703 126.019 121.300 0.027 0.000 2.433 115 W HA 0.355 5.016 4.660 0.001 0.000 0.315 115 W C -0.680 175.853 176.519 0.022 0.000 1.087 115 W CA -0.657 56.649 57.345 -0.065 0.000 1.205 115 W CB 1.943 31.393 29.460 -0.017 0.000 1.288 115 W HN 0.842 nan 8.180 nan 0.000 0.504 116 N N 3.816 122.144 118.700 -0.620 0.000 2.238 116 N HA 0.143 4.883 4.740 -0.000 0.000 0.222 116 N C 1.010 176.209 175.510 -0.518 0.000 1.133 116 N CA 0.450 53.297 53.050 -0.338 0.000 0.854 116 N CB 0.362 38.751 38.487 -0.163 0.000 1.041 116 N HN 0.807 nan 8.380 nan 0.000 0.510 117 G N -0.875 107.375 108.800 -0.916 0.000 2.234 117 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.235 117 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.235 117 G C 0.752 175.307 174.900 -0.576 0.000 0.997 117 G CA 0.415 45.212 45.100 -0.504 0.000 0.623 117 G HN 0.439 nan 8.290 nan 0.000 0.514 118 S N -0.163 114.904 115.700 -1.055 0.000 2.653 118 S HA 0.414 4.884 4.470 -0.000 0.000 0.259 118 S C 0.177 174.213 174.600 -0.940 0.000 1.076 118 S CA 0.903 58.694 58.200 -0.681 0.000 1.051 118 S CB 1.042 64.026 63.200 -0.359 0.000 0.994 118 S HN 1.143 nan 8.310 nan 0.000 0.552 119 E N -0.062 119.269 120.200 -1.449 0.000 2.422 119 E HA 0.534 4.884 4.350 -0.000 0.000 0.280 119 E C -1.621 174.683 176.600 -0.492 0.000 1.091 119 E CA -0.920 55.058 56.400 -0.704 0.000 0.849 119 E CB 0.532 30.027 29.700 -0.341 0.000 1.353 119 E HN -0.071 nan 8.360 nan 0.000 0.449 120 M N 1.180 120.769 119.600 -0.019 0.000 2.314 120 M HA 0.491 4.971 4.480 -0.000 0.000 0.342 120 M C -1.046 175.008 176.300 -0.411 0.000 1.171 120 M CA -0.434 54.804 55.300 -0.102 0.000 1.098 120 M CB 1.918 34.597 32.600 0.131 0.000 1.559 120 M HN 0.434 nan 8.290 nan 0.000 0.459 121 V N 2.997 122.393 119.914 -0.863 0.000 2.686 121 V HA 0.502 4.622 4.120 -0.000 0.000 0.306 121 V C -1.650 173.843 176.094 -1.001 0.000 1.065 121 V CA -0.836 60.892 62.300 -0.953 0.000 0.894 121 V CB 1.842 32.626 31.823 -1.732 0.000 1.004 121 V HN 0.671 nan 8.190 nan 0.000 0.424 122 Y N 1.738 121.921 120.300 -0.195 0.000 2.329 122 Y HA 0.667 5.217 4.550 -0.000 0.000 0.328 122 Y C 0.831 176.813 175.900 0.137 0.000 0.992 122 Y CA -0.513 57.575 58.100 -0.019 0.000 1.151 122 Y CB 2.081 40.528 38.460 -0.023 0.000 1.150 122 Y HN 0.789 nan 8.280 nan 0.000 0.450 123 G N 1.310 110.358 108.800 0.413 0.000 2.664 123 G HA2 0.030 3.990 3.960 -0.000 0.000 0.242 123 G HA3 0.030 3.990 3.960 -0.000 0.000 0.242 123 G C 0.253 175.327 174.900 0.290 0.000 1.225 123 G CA -0.314 45.075 45.100 0.482 0.000 0.849 123 G HN 0.704 nan 8.290 nan 0.000 0.581 124 D N 0.037 120.623 120.400 0.309 0.000 2.349 124 D HA 0.201 4.841 4.640 -0.000 0.000 0.215 124 D C 1.685 178.117 176.300 0.220 0.000 1.016 124 D CA 1.232 55.383 54.000 0.251 0.000 0.870 124 D CB 0.075 41.084 40.800 0.348 0.000 0.917 124 D HN 0.919 nan 8.370 nan 0.000 0.524 125 G N 2.185 111.114 108.800 0.215 0.000 2.880 125 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.617 125 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.617 125 G C 0.264 175.287 174.900 0.205 0.000 1.493 125 G CA 0.073 45.316 45.100 0.239 0.000 0.916 125 G HN 0.213 nan 8.290 nan 0.000 0.553 126 D N -0.567 119.943 120.400 0.185 0.000 2.349 126 D HA 0.374 5.014 4.640 -0.000 0.000 0.224 126 D C 1.886 178.244 176.300 0.097 0.000 1.029 126 D CA 1.178 55.252 54.000 0.124 0.000 0.879 126 D CB -0.234 40.624 40.800 0.098 0.000 0.906 126 D HN 2.186 nan 8.370 nan 0.000 0.528 127 G N 0.190 109.058 108.800 0.113 0.000 2.176 127 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.253 127 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.253 127 G C 0.815 175.734 174.900 0.032 0.000 0.979 127 G CA 0.699 45.845 45.100 0.078 0.000 0.641 127 G HN 0.582 nan 8.290 nan 0.000 0.530 128 Q N -1.468 118.337 119.800 0.009 0.000 2.599 128 Q HA 0.128 4.468 4.340 -0.000 0.000 0.229 128 Q C 2.237 178.149 176.000 -0.146 0.000 0.800 128 Q CA 1.129 56.899 55.803 -0.056 0.000 0.937 128 Q CB -0.162 28.552 28.738 -0.041 0.000 1.285 128 Q HN 0.316 nan 8.270 nan 0.000 0.600 129 T N 0.231 114.707 114.554 -0.129 0.000 2.857 129 T HA 0.127 4.477 4.350 -0.000 0.000 0.266 129 T C -0.356 174.074 174.700 -0.450 0.000 1.048 129 T CA 1.012 62.930 62.100 -0.304 0.000 1.139 129 T CB 0.024 68.808 68.868 -0.141 0.000 0.874 129 T HN 0.122 nan 8.240 nan 0.000 0.455 130 F N -0.394 119.559 119.950 0.006 0.000 2.641 130 F HA 0.523 5.049 4.527 -0.000 0.000 0.308 130 F C -0.370 175.462 175.800 0.053 0.000 1.105 130 F CA -2.000 56.035 58.000 0.058 0.000 0.964 130 F CB 1.466 40.521 39.000 0.091 0.000 1.294 130 F HN -0.061 nan 8.300 nan 0.000 0.442 131 I N -0.477 120.274 120.570 0.302 0.000 3.204 131 I HA 0.726 4.896 4.170 -0.000 0.000 0.313 131 I C -2.681 173.557 176.117 0.202 0.000 1.082 131 I CA -2.973 58.450 61.300 0.206 0.000 1.033 131 I CB 1.486 39.569 38.000 0.140 0.000 1.304 131 I HN 0.229 nan 8.210 nan 0.000 0.536 132 P HA 0.057 nan 4.420 nan 0.000 0.261 132 P C 0.183 177.528 177.300 0.075 0.000 1.183 132 P CA 0.261 63.419 63.100 0.097 0.000 0.761 132 P CB 0.432 32.156 31.700 0.040 0.000 0.785 133 L N 3.051 124.322 121.223 0.080 0.000 2.376 133 L HA -0.130 4.210 4.340 -0.000 0.000 0.219 133 L C 2.092 179.022 176.870 0.099 0.000 1.133 133 L CA 1.538 56.422 54.840 0.073 0.000 0.816 133 L CB -0.776 41.276 42.059 -0.012 0.000 0.933 133 L HN 0.362 nan 8.230 nan 0.000 0.449 134 S N -1.379 114.276 115.700 -0.074 0.000 2.515 134 S HA -0.044 4.426 4.470 -0.000 0.000 0.231 134 S C 2.136 176.721 174.600 -0.024 0.000 0.987 134 S CA 0.514 58.507 58.200 -0.344 0.000 0.936 134 S CB -0.808 61.930 63.200 -0.770 0.000 0.766 134 S HN 0.399 nan 8.310 nan 0.000 0.528 135 G N 1.599 110.420 108.800 0.035 0.000 2.499 135 G HA2 0.160 4.120 3.960 -0.000 0.000 0.221 135 G HA3 0.160 4.120 3.960 -0.000 0.000 0.221 135 G C 0.595 175.582 174.900 0.144 0.000 1.109 135 G CA 0.474 45.648 45.100 0.123 0.000 0.749 135 G HN 0.752 nan 8.290 nan 0.000 0.568 136 G N -0.355 108.484 108.800 0.065 0.000 2.377 136 G HA2 0.445 4.405 3.960 -0.000 0.000 0.316 136 G HA3 0.445 4.405 3.960 -0.000 0.000 0.316 136 G C 0.690 175.468 174.900 -0.203 0.000 1.115 136 G CA -0.670 44.405 45.100 -0.043 0.000 0.952 136 G HN 0.171 nan 8.290 nan 0.000 0.441 137 I N 1.932 122.182 120.570 -0.533 0.000 2.454 137 I HA -0.157 4.013 4.170 -0.000 0.000 0.254 137 I C 2.188 178.148 176.117 -0.261 0.000 1.156 137 I CA 1.767 62.639 61.300 -0.713 0.000 1.433 137 I CB 0.215 37.632 38.000 -0.972 0.000 1.082 137 I HN 0.579 nan 8.210 nan 0.000 0.432 138 D N 0.237 120.532 120.400 -0.175 0.000 2.183 138 D HA -0.155 4.485 4.640 -0.000 0.000 0.203 138 D C 2.062 178.379 176.300 0.030 0.000 0.969 138 D CA 1.258 55.214 54.000 -0.074 0.000 0.842 138 D CB -0.921 39.832 40.800 -0.078 0.000 0.957 138 D HN 0.308 nan 8.370 nan 0.000 0.484 139 V N 0.699 120.633 119.914 0.033 0.000 2.307 139 V HA -0.194 3.926 4.120 -0.000 0.000 0.245 139 V C 2.839 179.065 176.094 0.221 0.000 1.045 139 V CA 1.228 63.591 62.300 0.105 0.000 1.024 139 V CB -0.403 31.481 31.823 0.102 0.000 0.651 139 V HN 0.119 nan 8.190 nan 0.000 0.449 140 V N 0.437 120.475 119.914 0.207 0.000 2.295 140 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 140 V C 2.724 178.964 176.094 0.243 0.000 1.049 140 V CA 2.111 64.596 62.300 0.309 0.000 1.024 140 V CB -1.139 30.831 31.823 0.246 0.000 0.648 140 V HN 0.553 nan 8.190 nan 0.000 0.447 141 A N -0.660 122.250 122.820 0.149 0.000 1.933 141 A HA -0.286 4.033 4.320 -0.000 0.000 0.218 141 A C 2.072 179.741 177.584 0.142 0.000 1.175 141 A CA 2.167 54.282 52.037 0.131 0.000 0.628 141 A CB -0.870 18.156 19.000 0.044 0.000 0.814 141 A HN 0.801 nan 8.150 nan 0.000 0.444 142 H N -0.147 118.954 119.070 0.052 0.000 2.290 142 H HA -0.141 4.415 4.556 -0.000 0.000 0.298 142 H C 1.974 177.290 175.328 -0.020 0.000 1.087 142 H CA 1.991 58.047 56.048 0.013 0.000 1.291 142 H CB 0.093 29.884 29.762 0.049 0.000 1.369 142 H HN 0.401 nan 8.280 nan 0.000 0.492 143 E N 0.342 120.728 120.200 0.311 0.000 2.072 143 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 143 E C 2.373 179.016 176.600 0.072 0.000 0.985 143 E CA 0.712 57.295 56.400 0.305 0.000 0.801 143 E CB -0.505 29.357 29.700 0.270 0.000 0.750 143 E HN 0.415 nan 8.360 nan 0.000 0.452 144 L N 1.386 122.631 121.223 0.037 0.000 2.131 144 L HA -0.087 4.253 4.340 -0.000 0.000 0.210 144 L C 2.078 178.777 176.870 -0.285 0.000 1.092 144 L CA 1.722 56.481 54.840 -0.135 0.000 0.759 144 L CB -0.873 41.221 42.059 0.058 0.000 0.903 144 L HN 0.023 nan 8.230 nan 0.000 0.435 145 T N -1.444 113.015 114.554 -0.159 0.000 2.881 145 T HA -0.163 4.187 4.350 -0.000 0.000 0.270 145 T C 1.706 176.221 174.700 -0.309 0.000 1.068 145 T CA 1.199 63.187 62.100 -0.186 0.000 1.131 145 T CB -0.388 68.460 68.868 -0.033 0.000 0.871 145 T HN 0.435 nan 8.240 nan 0.000 0.479 146 H N 1.121 120.005 119.070 -0.311 0.000 2.387 146 H HA 0.046 4.602 4.556 0.000 0.000 0.299 146 H C 2.591 177.545 175.328 -0.624 0.000 1.099 146 H CA 1.372 57.209 56.048 -0.352 0.000 1.315 146 H CB -0.598 29.024 29.762 -0.232 0.000 1.380 146 H HN 0.414 nan 8.280 nan 0.000 0.513 147 A N 0.579 122.751 122.820 -1.080 0.000 1.877 147 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 147 A C 2.877 180.248 177.584 -0.356 0.000 1.186 147 A CA 1.774 53.084 52.037 -1.213 0.000 0.620 147 A CB -0.879 16.856 19.000 -2.108 0.000 0.822 147 A HN 0.222 nan 8.150 nan 0.000 0.443 148 V N -0.293 119.425 119.914 -0.327 0.000 2.295 148 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 148 V C 2.741 178.774 176.094 -0.101 0.000 1.049 148 V CA 2.515 64.689 62.300 -0.209 0.000 1.024 148 V CB -1.398 30.181 31.823 -0.407 0.000 0.648 148 V HN 0.606 nan 8.190 nan 0.000 0.447 149 T N -0.511 113.982 114.554 -0.103 0.000 2.708 149 T HA -0.217 4.133 4.350 -0.000 0.000 0.266 149 T C 1.680 176.385 174.700 0.009 0.000 1.037 149 T CA 1.735 63.823 62.100 -0.020 0.000 1.146 149 T CB -0.469 68.425 68.868 0.044 0.000 0.865 149 T HN 0.448 nan 8.240 nan 0.000 0.435 150 D N 0.264 120.665 120.400 0.000 0.000 2.157 150 D HA -0.119 4.521 4.640 -0.000 0.000 0.191 150 D C 1.564 177.826 176.300 -0.063 0.000 1.004 150 D CA 1.447 55.440 54.000 -0.012 0.000 0.854 150 D CB -0.350 40.451 40.800 0.002 0.000 0.936 150 D HN 0.505 nan 8.370 nan 0.000 0.446 151 Y N -0.272 120.030 120.300 0.003 0.000 2.546 151 Y HA 0.016 4.566 4.550 -0.000 0.000 0.287 151 Y C 2.025 177.908 175.900 -0.028 0.000 1.158 151 Y CA 0.916 59.025 58.100 0.015 0.000 1.307 151 Y CB 0.275 38.765 38.460 0.050 0.000 1.036 151 Y HN 0.085 nan 8.280 nan 0.000 0.532 152 T N -4.595 109.995 114.554 0.060 0.000 2.709 152 T HA 0.347 4.697 4.350 -0.000 0.000 0.174 152 T C 2.147 176.831 174.700 -0.026 0.000 0.774 152 T CA 0.315 62.406 62.100 -0.015 0.000 1.309 152 T CB -0.759 68.050 68.868 -0.098 0.000 2.586 152 T HN -0.085 nan 8.240 nan 0.000 0.401 153 A N 1.142 123.944 122.820 -0.031 0.000 1.917 153 A HA 0.308 4.628 4.320 -0.000 0.000 0.219 153 A C 2.255 179.847 177.584 0.013 0.000 1.182 153 A CA 2.309 54.342 52.037 -0.006 0.000 0.633 153 A CB -1.841 17.171 19.000 0.019 0.000 0.819 153 A HN 2.139 nan 8.150 nan 0.000 0.448 154 G N -1.696 107.117 108.800 0.021 0.000 2.176 154 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.252 154 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.252 154 G C 0.045 174.980 174.900 0.057 0.000 1.024 154 G CA 0.193 45.308 45.100 0.025 0.000 0.755 154 G HN 0.602 nan 8.290 nan 0.000 0.507 155 L N 0.211 121.484 121.223 0.083 0.000 2.700 155 L HA 0.077 4.417 4.340 -0.000 0.000 0.276 155 L C 1.555 178.505 176.870 0.134 0.000 1.200 155 L CA 0.085 54.990 54.840 0.109 0.000 0.951 155 L CB 0.204 42.345 42.059 0.137 0.000 1.226 155 L HN 0.222 nan 8.230 nan 0.000 0.489 156 I N 3.775 124.409 120.570 0.107 0.000 2.752 156 I HA -0.190 3.980 4.170 -0.000 0.000 0.289 156 I C 0.359 176.565 176.117 0.149 0.000 1.197 156 I CA 0.318 61.687 61.300 0.116 0.000 1.432 156 I CB 0.105 38.147 38.000 0.071 0.000 1.359 156 I HN 0.447 nan 8.210 nan 0.000 0.571 157 Y N 6.305 126.624 120.300 0.032 0.000 2.971 157 Y HA 0.205 4.755 4.550 -0.000 0.000 0.384 157 Y C 0.181 176.100 175.900 0.031 0.000 1.166 157 Y CA 0.126 58.243 58.100 0.028 0.000 1.973 157 Y CB -0.351 38.114 38.460 0.008 0.000 2.082 157 Y HN 0.534 nan 8.280 nan 0.000 0.420 158 Q N 1.626 121.382 119.800 -0.073 0.000 2.438 158 Q HA 0.325 4.665 4.340 -0.000 0.000 0.272 158 Q C -0.331 175.632 176.000 -0.062 0.000 0.994 158 Q CA -0.591 55.174 55.803 -0.064 0.000 0.887 158 Q CB 0.874 29.618 28.738 0.010 0.000 1.432 158 Q HN 0.428 nan 8.270 nan 0.000 0.392 159 N N 1.106 119.770 118.700 -0.059 0.000 1.220 159 N HA -0.273 4.467 4.740 -0.000 0.000 0.114 159 N C 0.310 175.774 175.510 -0.077 0.000 0.835 159 N CA 1.522 54.535 53.050 -0.061 0.000 0.863 159 N CB -0.795 37.657 38.487 -0.059 0.000 0.992 159 N HN 0.831 nan 8.380 nan 0.000 0.632 160 E N 0.417 120.536 120.200 -0.135 0.000 2.072 160 E HA -0.133 4.217 4.350 -0.000 0.000 0.191 160 E C 1.914 178.559 176.600 0.074 0.000 0.985 160 E CA 1.784 58.057 56.400 -0.212 0.000 0.801 160 E CB -0.191 29.238 29.700 -0.452 0.000 0.750 160 E HN 0.627 nan 8.360 nan 0.000 0.452 161 S N 0.439 116.171 115.700 0.053 0.000 2.382 161 S HA -0.100 4.370 4.470 -0.000 0.000 0.228 161 S C 2.192 176.850 174.600 0.096 0.000 1.027 161 S CA 1.134 59.396 58.200 0.102 0.000 0.991 161 S CB -0.584 62.659 63.200 0.071 0.000 0.823 161 S HN 0.295 nan 8.310 nan 0.000 0.469 162 G N 1.098 109.902 108.800 0.007 0.000 2.408 162 G HA2 0.170 4.129 3.960 -0.000 0.000 0.217 162 G HA3 0.170 4.129 3.960 -0.000 0.000 0.217 162 G C 1.643 176.473 174.900 -0.116 0.000 1.150 162 G CA 0.649 45.661 45.100 -0.147 0.000 0.776 162 G HN 0.789 nan 8.290 nan 0.000 0.542 163 A N 0.656 123.503 122.820 0.044 0.000 1.968 163 A HA 0.157 4.477 4.320 -0.000 0.000 0.217 163 A C 2.343 180.073 177.584 0.244 0.000 1.169 163 A CA 0.896 53.038 52.037 0.174 0.000 0.638 163 A CB -0.263 18.956 19.000 0.365 0.000 0.812 163 A HN 0.365 nan 8.150 nan 0.000 0.446 164 I N 0.140 120.898 120.570 0.314 0.000 2.179 164 I HA -0.279 3.891 4.170 -0.000 0.000 0.242 164 I C 2.533 178.765 176.117 0.192 0.000 1.088 164 I CA 1.456 62.904 61.300 0.247 0.000 1.357 164 I CB -0.484 37.676 38.000 0.267 0.000 1.051 164 I HN 0.412 nan 8.210 nan 0.000 0.409 165 N N 1.044 119.856 118.700 0.186 0.000 2.061 165 N HA -0.241 4.499 4.740 -0.000 0.000 0.193 165 N C 1.780 177.418 175.510 0.214 0.000 1.030 165 N CA 1.714 54.901 53.050 0.228 0.000 0.856 165 N CB -0.098 38.579 38.487 0.316 0.000 1.023 165 N HN 0.261 nan 8.380 nan 0.000 0.424 166 E N 0.673 120.989 120.200 0.193 0.000 2.058 166 E HA -0.107 4.243 4.350 -0.000 0.000 0.194 166 E C 1.895 178.556 176.600 0.103 0.000 0.997 166 E CA 1.129 57.629 56.400 0.165 0.000 0.801 166 E CB -0.555 29.190 29.700 0.075 0.000 0.746 166 E HN 0.483 nan 8.360 nan 0.000 0.450 167 A N 1.385 124.266 122.820 0.102 0.000 1.902 167 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 167 A C 2.204 179.803 177.584 0.025 0.000 1.181 167 A CA 1.079 53.154 52.037 0.063 0.000 0.623 167 A CB -0.460 18.571 19.000 0.052 0.000 0.818 167 A HN 0.150 nan 8.150 nan 0.000 0.443 168 I N 0.161 120.783 120.570 0.088 0.000 2.208 168 I HA -0.184 3.986 4.170 -0.000 0.000 0.245 168 I C 2.594 178.774 176.117 0.105 0.000 1.097 168 I CA 1.730 63.127 61.300 0.161 0.000 1.363 168 I CB -1.459 36.696 38.000 0.257 0.000 1.051 168 I HN 0.230 nan 8.210 nan 0.000 0.413 169 S N 0.408 116.036 115.700 -0.120 0.000 2.368 169 S HA -0.158 4.312 4.470 -0.000 0.000 0.224 169 S C 1.580 176.075 174.600 -0.176 0.000 1.029 169 S CA 1.244 59.188 58.200 -0.426 0.000 0.988 169 S CB -0.107 62.282 63.200 -1.352 0.000 0.838 169 S HN 0.424 nan 8.310 nan 0.000 0.462 170 D N 1.175 121.573 120.400 -0.003 0.000 2.123 170 D HA 0.044 4.684 4.640 -0.000 0.000 0.200 170 D C 1.840 178.148 176.300 0.013 0.000 0.976 170 D CA 0.635 54.719 54.000 0.140 0.000 0.831 170 D CB -0.293 40.604 40.800 0.161 0.000 0.974 170 D HN 0.337 nan 8.370 nan 0.000 0.469 171 I N 0.065 120.579 120.570 -0.094 0.000 2.099 171 I HA -0.285 3.885 4.170 -0.000 0.000 0.239 171 I C 2.013 177.925 176.117 -0.342 0.000 1.066 171 I CA 1.059 62.191 61.300 -0.279 0.000 1.324 171 I CB -0.230 37.446 38.000 -0.541 0.000 1.037 171 I HN -0.091 nan 8.210 nan 0.000 0.401 172 F N 0.732 120.647 119.950 -0.059 0.000 2.259 172 F HA -0.018 4.508 4.527 -0.000 0.000 0.298 172 F C 2.494 178.188 175.800 -0.176 0.000 1.088 172 F CA 1.103 59.042 58.000 -0.101 0.000 1.358 172 F CB -1.344 37.673 39.000 0.029 0.000 1.040 172 F HN 0.011 nan 8.300 nan 0.000 0.505 173 G N -0.516 108.312 108.800 0.047 0.000 2.476 173 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.218 173 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.218 173 G C 1.760 176.606 174.900 -0.089 0.000 1.164 173 G CA 1.700 46.804 45.100 0.008 0.000 0.768 173 G HN 0.299 nan 8.290 nan 0.000 0.560 174 T N 1.134 115.626 114.554 -0.102 0.000 2.777 174 T HA 0.031 4.381 4.350 -0.000 0.000 0.266 174 T C 2.439 177.054 174.700 -0.141 0.000 1.040 174 T CA 0.779 62.785 62.100 -0.157 0.000 1.141 174 T CB -0.158 68.603 68.868 -0.177 0.000 0.868 174 T HN 0.146 nan 8.240 nan 0.000 0.444 175 L N 0.778 121.879 121.223 -0.203 0.000 2.141 175 L HA -0.053 4.287 4.340 -0.000 0.000 0.209 175 L C 2.599 179.262 176.870 -0.345 0.000 1.094 175 L CA 0.651 55.369 54.840 -0.204 0.000 0.763 175 L CB -0.626 41.330 42.059 -0.171 0.000 0.908 175 L HN 0.145 nan 8.230 nan 0.000 0.437 176 V N -0.023 119.570 119.914 -0.534 0.000 2.295 176 V HA -0.314 3.806 4.120 -0.000 0.000 0.246 176 V C 2.479 178.481 176.094 -0.155 0.000 1.049 176 V CA 2.060 64.083 62.300 -0.461 0.000 1.024 176 V CB -0.494 31.098 31.823 -0.386 0.000 0.648 176 V HN 0.514 nan 8.190 nan 0.000 0.447 177 E N -0.230 119.861 120.200 -0.182 0.000 2.058 177 E HA -0.258 4.091 4.350 -0.000 0.000 0.194 177 E C 2.081 178.554 176.600 -0.211 0.000 0.997 177 E CA 1.772 58.039 56.400 -0.221 0.000 0.801 177 E CB -0.214 29.299 29.700 -0.312 0.000 0.746 177 E HN 0.573 nan 8.360 nan 0.000 0.450 178 F N -0.435 119.404 119.950 -0.185 0.000 2.171 178 F HA -0.166 4.361 4.527 -0.000 0.000 0.300 178 F C 2.232 178.017 175.800 -0.026 0.000 1.090 178 F CA 1.489 59.407 58.000 -0.136 0.000 1.293 178 F CB -0.488 38.395 39.000 -0.196 0.000 1.013 178 F HN 0.199 nan 8.300 nan 0.000 0.486 179 Y N 0.287 120.616 120.300 0.049 0.000 2.200 179 Y HA -0.145 4.404 4.550 -0.000 0.000 0.290 179 Y C 2.289 178.211 175.900 0.037 0.000 1.137 179 Y CA 1.334 59.471 58.100 0.062 0.000 1.163 179 Y CB -0.476 38.048 38.460 0.107 0.000 0.988 179 Y HN -0.037 nan 8.280 nan 0.000 0.518 180 A N 0.189 123.075 122.820 0.109 0.000 1.968 180 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 180 A C 1.160 178.724 177.584 -0.035 0.000 1.169 180 A CA 1.063 53.117 52.037 0.029 0.000 0.638 180 A CB -0.582 18.471 19.000 0.088 0.000 0.812 180 A HN 0.665 nan 8.150 nan 0.000 0.446 181 N N -1.742 116.923 118.700 -0.060 0.000 2.783 181 N HA -0.160 4.579 4.740 -0.000 0.000 0.247 181 N C -0.296 175.170 175.510 -0.074 0.000 1.089 181 N CA 1.228 54.234 53.050 -0.073 0.000 0.690 181 N CB -1.589 36.875 38.487 -0.040 0.000 0.991 181 N HN 0.651 nan 8.380 nan 0.000 0.552 182 K N 1.190 121.534 120.400 -0.094 0.000 2.414 182 K HA 0.268 4.588 4.320 -0.000 0.000 0.251 182 K C -0.231 176.296 176.600 -0.120 0.000 1.037 182 K CA -0.494 55.748 56.287 -0.076 0.000 0.980 182 K CB 0.157 32.636 32.500 -0.035 0.000 1.280 182 K HN 0.245 nan 8.250 nan 0.000 0.451 183 N N 2.938 121.571 118.700 -0.112 0.000 2.699 183 N HA -0.138 4.602 4.740 -0.000 0.000 0.256 183 N C -2.496 172.873 175.510 -0.236 0.000 0.993 183 N CA 0.582 53.556 53.050 -0.127 0.000 0.759 183 N CB -0.915 37.525 38.487 -0.078 0.000 0.906 183 N HN 0.559 nan 8.380 nan 0.000 0.541 184 P HA 0.252 nan 4.420 nan 0.000 0.274 184 P C -0.112 176.713 177.300 -0.792 0.000 1.231 184 P CA 0.246 62.875 63.100 -0.784 0.000 0.790 184 P CB 1.011 31.913 31.700 -1.331 0.000 0.951 185 D N -0.238 119.723 120.400 -0.731 0.000 2.759 185 D HA 0.222 4.862 4.640 -0.000 0.000 0.321 185 D C -0.988 175.191 176.300 -0.201 0.000 1.267 185 D CA -0.660 53.172 54.000 -0.279 0.000 0.933 185 D CB -0.114 40.649 40.800 -0.061 0.000 1.431 185 D HN 0.267 nan 8.370 nan 0.000 0.504 186 W N 0.136 121.545 121.300 0.183 0.000 3.194 186 W HA 0.318 4.978 4.660 -0.000 0.000 0.408 186 W C -0.002 176.557 176.519 0.067 0.000 1.072 186 W CA -0.423 57.033 57.345 0.184 0.000 1.953 186 W CB 0.468 30.077 29.460 0.248 0.000 1.091 186 W HN 0.022 nan 8.180 nan 0.000 0.699 187 E N 0.731 121.035 120.200 0.173 0.000 2.222 187 E HA 0.369 4.719 4.350 -0.000 0.000 0.267 187 E C -0.187 176.440 176.600 0.045 0.000 0.963 187 E CA -0.806 55.664 56.400 0.117 0.000 0.837 187 E CB 2.259 32.018 29.700 0.100 0.000 1.183 187 E HN -0.197 nan 8.360 nan 0.000 0.403 188 I N 0.635 121.217 120.570 0.020 0.000 2.362 188 I HA 0.278 4.448 4.170 -0.000 0.000 0.289 188 I C 1.197 177.278 176.117 -0.060 0.000 0.994 188 I CA -0.203 61.086 61.300 -0.018 0.000 1.158 188 I CB 0.295 38.291 38.000 -0.008 0.000 1.315 188 I HN 0.820 nan 8.210 nan 0.000 0.451 189 G N 5.360 114.146 108.800 -0.023 0.000 2.176 189 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.253 189 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.253 189 G C 1.011 175.958 174.900 0.079 0.000 0.979 189 G CA 0.449 45.568 45.100 0.032 0.000 0.641 189 G HN 0.713 nan 8.290 nan 0.000 0.530 190 E N 1.064 121.288 120.200 0.040 0.000 2.171 190 E HA -0.198 4.152 4.350 -0.000 0.000 0.197 190 E C 1.359 178.009 176.600 0.083 0.000 0.997 190 E CA 1.819 58.263 56.400 0.073 0.000 0.810 190 E CB -0.490 29.236 29.700 0.043 0.000 0.738 190 E HN 0.425 nan 8.360 nan 0.000 0.467 191 D N 0.753 121.189 120.400 0.059 0.000 2.224 191 D HA -0.074 4.566 4.640 -0.000 0.000 0.205 191 D C 1.904 178.267 176.300 0.104 0.000 0.965 191 D CA 1.714 55.749 54.000 0.057 0.000 0.852 191 D CB 0.312 41.125 40.800 0.022 0.000 0.947 191 D HN 0.367 nan 8.370 nan 0.000 0.494 192 V N -2.719 117.298 119.914 0.172 0.000 3.528 192 V HA 0.240 4.359 4.120 -0.000 0.000 0.294 192 V C 0.030 176.341 176.094 0.362 0.000 1.404 192 V CA -0.635 61.821 62.300 0.259 0.000 1.065 192 V CB -0.700 31.295 31.823 0.288 0.000 0.904 192 V HN -0.109 nan 8.190 nan 0.000 0.435 193 Y N 3.256 123.589 120.300 0.055 0.000 2.323 193 Y HA 0.496 5.046 4.550 -0.000 0.000 0.331 193 Y C 1.112 176.899 175.900 -0.190 0.000 1.092 193 Y CA -0.050 57.915 58.100 -0.226 0.000 1.150 193 Y CB 0.958 39.267 38.460 -0.252 0.000 1.200 193 Y HN 0.601 nan 8.280 nan 0.000 0.472 194 T N 5.069 119.194 114.554 -0.714 0.000 3.110 194 T HA -0.129 4.221 4.350 -0.000 0.000 0.445 194 T C -1.919 172.631 174.700 -0.250 0.000 0.772 194 T CA 0.161 61.919 62.100 -0.571 0.000 2.271 194 T CB -1.232 67.153 68.868 -0.806 0.000 1.657 194 T HN 0.667 nan 8.240 nan 0.000 0.594 195 P HA -0.065 nan 4.420 nan 0.000 0.218 195 P C 1.752 179.014 177.300 -0.063 0.000 1.146 195 P CA 1.639 64.703 63.100 -0.060 0.000 0.813 195 P CB -0.508 31.180 31.700 -0.021 0.000 0.778 196 G N -0.925 107.824 108.800 -0.086 0.000 2.813 196 G HA2 0.125 4.085 3.960 -0.000 0.000 0.209 196 G HA3 0.125 4.085 3.960 -0.000 0.000 0.209 196 G C 0.660 175.519 174.900 -0.069 0.000 1.150 196 G CA -0.048 45.012 45.100 -0.066 0.000 0.785 196 G HN 0.255 nan 8.290 nan 0.000 0.535 197 I N 1.896 122.409 120.570 -0.096 0.000 2.382 197 I HA 0.245 4.415 4.170 -0.000 0.000 0.286 197 I C 0.070 176.161 176.117 -0.044 0.000 1.002 197 I CA -0.781 60.475 61.300 -0.074 0.000 1.135 197 I CB 2.050 39.986 38.000 -0.105 0.000 1.288 197 I HN 0.026 nan 8.210 nan 0.000 0.448 198 S N 3.785 119.476 115.700 -0.015 0.000 2.580 198 S HA 0.562 5.032 4.470 -0.000 0.000 0.274 198 S C 1.133 175.750 174.600 0.029 0.000 1.329 198 S CA 0.245 58.449 58.200 0.006 0.000 1.036 198 S CB 1.471 64.675 63.200 0.007 0.000 0.919 198 S HN 1.183 nan 8.310 nan 0.000 0.515 199 G N 1.441 110.268 108.800 0.046 0.000 2.184 199 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.264 199 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.264 199 G C -0.182 174.792 174.900 0.123 0.000 0.975 199 G CA 0.406 45.548 45.100 0.070 0.000 0.642 199 G HN 1.166 nan 8.290 nan 0.000 0.536 200 D N 0.167 120.655 120.400 0.146 0.000 2.478 200 D HA 0.778 5.418 4.640 -0.000 0.000 0.263 200 D C 0.468 176.902 176.300 0.223 0.000 1.153 200 D CA 0.179 54.330 54.000 0.252 0.000 1.038 200 D CB 1.379 42.333 40.800 0.255 0.000 1.120 200 D HN 1.094 nan 8.370 nan 0.000 0.564 201 S N -1.515 114.233 115.700 0.081 0.000 2.655 201 S HA 0.246 4.716 4.470 -0.000 0.000 0.266 201 S C 0.158 174.218 174.600 -0.900 0.000 1.149 201 S CA -0.799 57.282 58.200 -0.199 0.000 0.818 201 S CB 0.685 63.836 63.200 -0.082 0.000 1.130 201 S HN 0.258 nan 8.310 nan 0.000 0.476 202 L N 0.740 121.440 121.223 -0.871 0.000 2.095 202 L HA 0.449 4.789 4.340 -0.000 0.000 0.204 202 L C 0.966 177.431 176.870 -0.675 0.000 1.080 202 L CA 1.638 55.922 54.840 -0.926 0.000 0.759 202 L CB -0.674 41.060 42.059 -0.541 0.000 0.914 202 L HN 0.734 nan 8.230 nan 0.000 0.439 203 R N -2.284 117.984 120.500 -0.386 0.000 2.739 203 R HA 0.455 4.795 4.340 -0.000 0.000 0.271 203 R C -1.168 175.207 176.300 0.125 0.000 1.010 203 R CA -0.511 55.560 56.100 -0.049 0.000 0.897 203 R CB 1.879 32.194 30.300 0.026 0.000 1.236 203 R HN -0.093 nan 8.270 nan 0.000 0.466 204 S N 1.153 117.009 115.700 0.260 0.000 2.502 204 S HA 0.338 4.808 4.470 -0.000 0.000 0.304 204 S C 0.593 175.240 174.600 0.078 0.000 1.097 204 S CA -0.635 57.677 58.200 0.186 0.000 1.045 204 S CB 1.255 64.539 63.200 0.140 0.000 1.019 204 S HN 0.662 nan 8.310 nan 0.000 0.481 205 M N 2.986 122.631 119.600 0.075 0.000 2.334 205 M HA 0.009 4.489 4.480 -0.000 0.000 0.266 205 M C 2.203 178.340 176.300 -0.271 0.000 1.082 205 M CA 0.953 56.268 55.300 0.025 0.000 1.141 205 M CB -0.328 32.416 32.600 0.241 0.000 1.380 205 M HN 0.799 nan 8.290 nan 0.000 0.440 206 S N -0.769 114.649 115.700 -0.471 0.000 2.436 206 S HA -0.066 4.404 4.470 -0.000 0.000 0.228 206 S C 0.580 174.774 174.600 -0.677 0.000 1.014 206 S CA 0.876 58.315 58.200 -1.269 0.000 0.950 206 S CB -0.025 62.563 63.200 -1.020 0.000 0.784 206 S HN 0.407 nan 8.310 nan 0.000 0.504 207 D N 0.799 120.997 120.400 -0.335 0.000 2.668 207 D HA 0.395 5.035 4.640 -0.000 0.000 0.247 207 D C -2.572 173.658 176.300 -0.117 0.000 1.268 207 D CA -1.897 51.977 54.000 -0.210 0.000 0.842 207 D CB 1.363 42.049 40.800 -0.189 0.000 1.399 207 D HN -0.096 nan 8.370 nan 0.000 0.530 208 P HA -0.078 nan 4.420 nan 0.000 0.216 208 P C 1.274 178.589 177.300 0.025 0.000 1.150 208 P CA 1.232 64.345 63.100 0.022 0.000 0.837 208 P CB 0.273 32.000 31.700 0.045 0.000 0.786 209 A N -0.128 122.697 122.820 0.008 0.000 2.076 209 A HA -0.225 4.095 4.320 -0.000 0.000 0.220 209 A C 2.213 179.746 177.584 -0.085 0.000 1.160 209 A CA 1.579 53.619 52.037 0.005 0.000 0.653 209 A CB -1.219 17.804 19.000 0.037 0.000 0.801 209 A HN 0.142 nan 8.150 nan 0.000 0.455 210 K N -1.642 118.640 120.400 -0.197 0.000 2.218 210 K HA -0.183 4.137 4.320 -0.000 0.000 0.205 210 K C 0.205 176.434 176.600 -0.618 0.000 1.046 210 K CA 1.626 57.646 56.287 -0.444 0.000 0.933 210 K CB -0.218 31.904 32.500 -0.630 0.000 0.728 210 K HN 0.592 nan 8.250 nan 0.000 0.454 211 Y N -0.913 119.389 120.300 0.004 0.000 2.696 211 Y HA 0.295 4.845 4.550 0.000 0.000 0.260 211 Y C 0.862 176.766 175.900 0.006 0.000 1.165 211 Y CA -0.180 57.921 58.100 0.002 0.000 1.189 211 Y CB 1.149 39.600 38.460 -0.015 0.000 1.180 211 Y HN 0.202 nan 8.280 nan 0.000 0.538 212 G N -0.034 108.812 108.800 0.077 0.000 2.143 212 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.249 212 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.249 212 G C -0.341 174.605 174.900 0.076 0.000 0.981 212 G CA 0.042 45.182 45.100 0.066 0.000 0.665 212 G HN 0.273 nan 8.290 nan 0.000 0.528 213 D N 1.329 121.785 120.400 0.094 0.000 2.225 213 D HA 0.465 5.105 4.640 -0.000 0.000 0.249 213 D C -1.956 174.413 176.300 0.115 0.000 1.052 213 D CA -1.190 52.871 54.000 0.102 0.000 0.909 213 D CB 1.653 42.522 40.800 0.115 0.000 1.186 213 D HN 0.179 nan 8.370 nan 0.000 0.431 214 P HA 0.106 nan 4.420 nan 0.000 0.275 214 P C -0.202 177.214 177.300 0.193 0.000 1.228 214 P CA -0.237 62.966 63.100 0.172 0.000 0.786 214 P CB 0.924 32.733 31.700 0.182 0.000 0.927 215 D N -0.809 119.751 120.400 0.265 0.000 2.513 215 D HA 0.092 4.732 4.640 -0.000 0.000 0.222 215 D C 0.036 176.626 176.300 0.484 0.000 1.210 215 D CA 0.129 54.322 54.000 0.322 0.000 0.825 215 D CB -0.256 40.754 40.800 0.349 0.000 1.037 215 D HN 0.391 nan 8.370 nan 0.000 0.506 216 H N -0.662 118.568 119.070 0.265 0.000 3.038 216 H HA 0.076 4.632 4.556 -0.000 0.000 0.362 216 H C -0.711 174.737 175.328 0.200 0.000 1.167 216 H CA -0.588 55.568 56.048 0.179 0.000 1.197 216 H CB 1.361 31.063 29.762 -0.099 0.000 1.840 216 H HN -0.179 nan 8.280 nan 0.000 0.540 217 Y N 3.245 123.466 120.300 -0.133 0.000 2.256 217 Y HA -0.280 4.270 4.550 -0.000 0.000 0.288 217 Y C 2.521 178.533 175.900 0.187 0.000 1.155 217 Y CA 2.560 60.709 58.100 0.083 0.000 1.203 217 Y CB -0.015 38.464 38.460 0.030 0.000 0.980 217 Y HN 0.608 nan 8.280 nan 0.000 0.530 218 S N -0.451 115.501 115.700 0.421 0.000 2.419 218 S HA -0.189 4.281 4.470 -0.000 0.000 0.233 218 S C 1.550 176.182 174.600 0.054 0.000 1.016 218 S CA 1.334 59.643 58.200 0.182 0.000 0.974 218 S CB -0.457 62.810 63.200 0.112 0.000 0.786 218 S HN 0.538 nan 8.310 nan 0.000 0.492 219 K N 1.770 122.235 120.400 0.108 0.000 2.469 219 K HA 0.134 4.454 4.320 -0.000 0.000 0.201 219 K C 0.396 177.037 176.600 0.068 0.000 1.028 219 K CA -0.306 56.031 56.287 0.082 0.000 1.170 219 K CB 0.086 32.663 32.500 0.129 0.000 0.874 219 K HN 0.603 nan 8.250 nan 0.000 0.507 220 R N 0.488 120.975 120.500 -0.021 0.000 2.623 220 R HA -0.013 4.327 4.340 -0.000 0.000 0.271 220 R C -0.591 175.726 176.300 0.029 0.000 1.043 220 R CA -0.361 55.723 56.100 -0.027 0.000 1.083 220 R CB 0.112 30.253 30.300 -0.265 0.000 0.974 220 R HN -0.034 nan 8.270 nan 0.000 0.436 221 Y N 2.437 122.717 120.300 -0.033 0.000 2.335 221 Y HA 0.107 4.657 4.550 -0.000 0.000 0.331 221 Y C 0.444 176.310 175.900 -0.056 0.000 1.094 221 Y CA 0.305 58.389 58.100 -0.026 0.000 1.253 221 Y CB 1.313 39.779 38.460 0.010 0.000 1.203 221 Y HN 0.844 nan 8.280 nan 0.000 0.508 222 T N 1.646 115.836 114.554 -0.607 0.000 3.145 222 T HA 0.384 4.733 4.350 -0.000 0.000 0.281 222 T C 0.790 175.101 174.700 -0.647 0.000 1.003 222 T CA 0.020 61.807 62.100 -0.522 0.000 0.901 222 T CB -0.361 68.328 68.868 -0.298 0.000 1.112 222 T HN 0.777 nan 8.240 nan 0.000 0.535 223 G N 1.688 109.720 108.800 -1.280 0.000 2.529 223 G HA2 0.359 4.319 3.960 -0.000 0.000 0.277 223 G HA3 0.359 4.319 3.960 -0.000 0.000 0.277 223 G C 1.040 175.788 174.900 -0.253 0.000 1.383 223 G CA 0.370 45.032 45.100 -0.729 0.000 1.050 223 G HN 0.399 nan 8.290 nan 0.000 0.526 224 T N -2.947 111.629 114.554 0.035 0.000 3.022 224 T HA 0.203 4.553 4.350 -0.000 0.000 0.250 224 T C 0.943 175.761 174.700 0.196 0.000 1.060 224 T CA 0.081 62.242 62.100 0.101 0.000 1.013 224 T CB -0.001 68.899 68.868 0.055 0.000 0.982 224 T HN 0.476 nan 8.240 nan 0.000 0.508 225 Q N 1.629 121.617 119.800 0.313 0.000 2.421 225 Q HA 0.237 4.577 4.340 -0.000 0.000 0.255 225 Q C -0.011 176.087 176.000 0.164 0.000 1.013 225 Q CA 0.330 56.248 55.803 0.191 0.000 0.895 225 Q CB 0.200 29.004 28.738 0.110 0.000 1.271 225 Q HN 0.362 nan 8.270 nan 0.000 0.460 226 D N 1.340 121.807 120.400 0.111 0.000 2.723 226 D HA -0.242 4.398 4.640 -0.000 0.000 0.236 226 D C -1.141 175.235 176.300 0.126 0.000 1.138 226 D CA 1.120 55.199 54.000 0.133 0.000 0.676 226 D CB -1.760 39.101 40.800 0.103 0.000 1.069 226 D HN 0.892 nan 8.370 nan 0.000 0.430 227 N N -0.974 117.795 118.700 0.116 0.000 2.714 227 N HA -0.162 4.578 4.740 -0.000 0.000 0.252 227 N C 0.826 176.368 175.510 0.053 0.000 1.014 227 N CA 1.296 54.390 53.050 0.073 0.000 0.735 227 N CB -1.225 37.288 38.487 0.045 0.000 0.924 227 N HN 0.933 nan 8.380 nan 0.000 0.540 228 G N -1.390 107.485 108.800 0.126 0.000 2.198 228 G HA2 0.082 4.042 3.960 -0.000 0.000 0.257 228 G HA3 0.082 4.042 3.960 -0.000 0.000 0.257 228 G C 0.826 175.864 174.900 0.231 0.000 1.042 228 G CA 0.521 45.709 45.100 0.146 0.000 0.791 228 G HN 1.612 nan 8.290 nan 0.000 0.502 229 G N -2.287 106.665 108.800 0.254 0.000 2.225 229 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.264 229 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.264 229 G C 1.612 176.564 174.900 0.087 0.000 1.060 229 G CA 1.368 46.571 45.100 0.171 0.000 0.833 229 G HN 2.170 nan 8.290 nan 0.000 0.498 230 V N -3.624 116.280 119.914 -0.017 0.000 2.594 230 V HA -0.070 4.050 4.120 -0.000 0.000 0.253 230 V C 1.914 177.935 176.094 -0.122 0.000 1.069 230 V CA 2.476 64.673 62.300 -0.171 0.000 1.082 230 V CB -0.622 30.864 31.823 -0.562 0.000 0.680 230 V HN 0.529 nan 8.190 nan 0.000 0.469 231 H N -1.106 117.994 119.070 0.050 0.000 2.551 231 H HA 0.466 5.022 4.556 -0.000 0.000 0.271 231 H C 1.638 177.005 175.328 0.065 0.000 0.984 231 H CA 0.732 56.831 56.048 0.086 0.000 1.164 231 H CB 0.389 30.198 29.762 0.079 0.000 1.437 231 H HN 0.423 nan 8.280 nan 0.000 0.550 232 I N -0.512 120.147 120.570 0.149 0.000 3.393 232 I HA -0.073 4.097 4.170 -0.000 0.000 0.250 232 I C 1.344 177.550 176.117 0.148 0.000 1.122 232 I CA 0.087 61.449 61.300 0.103 0.000 1.484 232 I CB 0.181 38.182 38.000 0.002 0.000 1.468 232 I HN 0.082 nan 8.210 nan 0.000 0.461 233 N N 1.273 120.084 118.700 0.185 0.000 2.519 233 N HA -0.117 4.623 4.740 -0.000 0.000 0.186 233 N C 1.836 177.537 175.510 0.319 0.000 1.062 233 N CA 1.364 54.580 53.050 0.277 0.000 0.910 233 N CB -0.309 38.358 38.487 0.300 0.000 0.958 233 N HN 0.378 nan 8.380 nan 0.000 0.445 234 S N -0.624 115.206 115.700 0.216 0.000 2.419 234 S HA -0.073 4.397 4.470 -0.000 0.000 0.233 234 S C 2.160 176.824 174.600 0.106 0.000 1.016 234 S CA 0.994 59.288 58.200 0.157 0.000 0.974 234 S CB -0.897 62.384 63.200 0.136 0.000 0.786 234 S HN 0.331 nan 8.310 nan 0.000 0.492 235 G N 2.188 111.062 108.800 0.124 0.000 2.469 235 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.220 235 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.220 235 G C 1.315 176.249 174.900 0.057 0.000 1.136 235 G CA 1.162 46.316 45.100 0.091 0.000 0.759 235 G HN 0.601 nan 8.290 nan 0.000 0.562 236 I N 0.546 121.170 120.570 0.089 0.000 2.202 236 I HA -0.109 4.061 4.170 -0.000 0.000 0.242 236 I C 2.443 178.488 176.117 -0.121 0.000 1.091 236 I CA 0.585 61.914 61.300 0.048 0.000 1.368 236 I CB -0.110 38.013 38.000 0.206 0.000 1.058 236 I HN 0.061 nan 8.210 nan 0.000 0.410 237 I N 0.609 121.056 120.570 -0.204 0.000 2.353 237 I HA -0.194 3.976 4.170 -0.000 0.000 0.248 237 I C 2.065 178.094 176.117 -0.148 0.000 1.119 237 I CA 1.536 62.705 61.300 -0.219 0.000 1.417 237 I CB -1.696 36.177 38.000 -0.212 0.000 1.078 237 I HN 0.329 nan 8.210 nan 0.000 0.421 238 N N 0.924 119.574 118.700 -0.084 0.000 2.166 238 N HA -0.248 4.492 4.740 -0.000 0.000 0.186 238 N C 1.827 177.283 175.510 -0.090 0.000 1.019 238 N CA 1.058 54.070 53.050 -0.064 0.000 0.856 238 N CB -0.021 38.471 38.487 0.009 0.000 0.993 238 N HN 0.213 nan 8.380 nan 0.000 0.426 239 K N 1.462 121.793 120.400 -0.116 0.000 2.097 239 K HA 0.026 4.346 4.320 -0.000 0.000 0.205 239 K C 1.838 178.321 176.600 -0.194 0.000 1.050 239 K CA 1.103 57.290 56.287 -0.166 0.000 0.938 239 K CB -0.225 32.145 32.500 -0.217 0.000 0.718 239 K HN 0.109 nan 8.250 nan 0.000 0.442 240 A N 0.570 123.235 122.820 -0.258 0.000 1.933 240 A HA -0.059 4.261 4.320 -0.000 0.000 0.218 240 A C 2.354 179.750 177.584 -0.313 0.000 1.175 240 A CA 1.943 53.746 52.037 -0.390 0.000 0.628 240 A CB -0.989 17.545 19.000 -0.778 0.000 0.814 240 A HN 0.442 nan 8.150 nan 0.000 0.444 241 A N -1.490 121.169 122.820 -0.268 0.000 1.873 241 A HA -0.061 4.259 4.320 -0.000 0.000 0.215 241 A C 2.127 179.549 177.584 -0.270 0.000 1.186 241 A CA 1.538 53.394 52.037 -0.302 0.000 0.616 241 A CB -0.887 17.811 19.000 -0.504 0.000 0.823 241 A HN 0.718 nan 8.150 nan 0.000 0.442 242 Y N 0.629 120.691 120.300 -0.396 0.000 2.114 242 Y HA -0.237 4.313 4.550 -0.000 0.000 0.282 242 Y C 1.969 177.547 175.900 -0.537 0.000 1.165 242 Y CA 2.021 59.720 58.100 -0.669 0.000 1.148 242 Y CB -0.311 37.791 38.460 -0.597 0.000 0.972 242 Y HN 0.226 nan 8.280 nan 0.000 0.504 243 L N -0.470 120.546 121.223 -0.344 0.000 2.017 243 L HA -0.252 4.088 4.340 -0.000 0.000 0.208 243 L C 2.463 179.145 176.870 -0.314 0.000 1.073 243 L CA 1.636 56.286 54.840 -0.317 0.000 0.745 243 L CB -0.583 41.368 42.059 -0.181 0.000 0.894 243 L HN 0.291 nan 8.230 nan 0.000 0.432 244 I N -1.097 119.328 120.570 -0.242 0.000 2.163 244 I HA -0.345 3.825 4.170 -0.000 0.000 0.243 244 I C 2.822 178.822 176.117 -0.194 0.000 1.085 244 I CA 1.526 62.736 61.300 -0.148 0.000 1.347 244 I CB -0.291 37.697 38.000 -0.019 0.000 1.044 244 I HN 0.215 nan 8.210 nan 0.000 0.408 245 S N -0.265 115.261 115.700 -0.290 0.000 2.345 245 S HA -0.144 4.326 4.470 -0.000 0.000 0.219 245 S C 1.963 176.335 174.600 -0.379 0.000 1.031 245 S CA 1.191 59.224 58.200 -0.279 0.000 0.984 245 S CB 0.049 63.110 63.200 -0.232 0.000 0.874 245 S HN 0.351 nan 8.310 nan 0.000 0.451 246 Q N 0.101 119.508 119.800 -0.656 0.000 2.391 246 Q HA 0.328 4.668 4.340 -0.000 0.000 0.211 246 Q C 1.197 176.932 176.000 -0.442 0.000 0.908 246 Q CA 0.671 56.081 55.803 -0.655 0.000 0.920 246 Q CB -0.004 27.988 28.738 -1.244 0.000 1.056 246 Q HN 0.612 nan 8.270 nan 0.000 0.523 247 G N -0.139 108.421 108.800 -0.400 0.000 2.829 247 G HA2 0.173 4.133 3.960 -0.000 0.000 0.628 247 G HA3 0.173 4.133 3.960 -0.000 0.000 0.628 247 G C 0.021 174.807 174.900 -0.191 0.000 1.412 247 G CA -0.016 44.942 45.100 -0.236 0.000 0.864 247 G HN 0.735 nan 8.290 nan 0.000 0.544 248 G N -2.013 106.730 108.800 -0.096 0.000 2.345 248 G HA2 0.621 4.581 3.960 -0.000 0.000 0.310 248 G HA3 0.621 4.581 3.960 -0.000 0.000 0.310 248 G C -0.736 174.169 174.900 0.008 0.000 1.476 248 G CA 0.487 45.567 45.100 -0.033 0.000 0.978 248 G HN 1.658 nan 8.290 nan 0.000 0.656 249 T N 0.537 115.111 114.554 0.033 0.000 2.771 249 T HA 0.624 4.974 4.350 -0.000 0.000 0.281 249 T C -0.805 173.961 174.700 0.110 0.000 0.982 249 T CA -0.137 61.998 62.100 0.058 0.000 0.978 249 T CB 1.209 70.093 68.868 0.027 0.000 0.930 249 T HN 0.796 nan 8.240 nan 0.000 0.447 250 H N 1.728 120.812 119.070 0.025 0.000 2.840 250 H HA 0.315 4.871 4.556 -0.000 0.000 0.340 250 H C -0.767 174.656 175.328 0.159 0.000 1.004 250 H CA -1.065 55.004 56.048 0.035 0.000 1.288 250 H CB 0.239 30.050 29.762 0.082 0.000 1.607 250 H HN 0.703 nan 8.280 nan 0.000 0.522 251 Y N 3.437 123.580 120.300 -0.263 0.000 3.007 251 Y HA -0.281 4.269 4.550 -0.000 0.000 0.212 251 Y C 1.715 177.579 175.900 -0.061 0.000 1.180 251 Y CA 1.542 59.536 58.100 -0.177 0.000 1.076 251 Y CB -1.512 36.818 38.460 -0.216 0.000 1.254 251 Y HN 1.109 nan 8.280 nan 0.000 0.534 252 G N -2.175 106.659 108.800 0.056 0.000 2.212 252 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.266 252 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.266 252 G C -0.021 174.917 174.900 0.064 0.000 0.978 252 G CA 0.024 45.155 45.100 0.051 0.000 0.632 252 G HN 0.596 nan 8.290 nan 0.000 0.537 253 V N 1.761 121.731 119.914 0.094 0.000 2.383 253 V HA 0.590 4.710 4.120 -0.000 0.000 0.275 253 V C 0.557 176.697 176.094 0.077 0.000 1.036 253 V CA -0.097 62.256 62.300 0.088 0.000 0.889 253 V CB 1.612 33.504 31.823 0.114 0.000 0.985 253 V HN 0.307 nan 8.190 nan 0.000 0.459 254 S N 4.113 119.841 115.700 0.046 0.000 2.499 254 S HA 0.623 5.093 4.470 -0.000 0.000 0.279 254 S C -0.284 174.324 174.600 0.013 0.000 1.219 254 S CA -0.485 57.731 58.200 0.026 0.000 1.062 254 S CB 1.495 64.703 63.200 0.013 0.000 0.978 254 S HN 0.483 nan 8.310 nan 0.000 0.489 255 V N 3.832 123.742 119.914 -0.006 0.000 2.487 255 V HA 0.352 4.471 4.120 -0.000 0.000 0.298 255 V C -0.279 175.783 176.094 -0.054 0.000 1.028 255 V CA -0.868 61.414 62.300 -0.029 0.000 0.860 255 V CB 1.817 33.611 31.823 -0.048 0.000 0.991 255 V HN 0.664 nan 8.190 nan 0.000 0.427 256 V N 4.074 123.956 119.914 -0.053 0.000 2.427 256 V HA 0.422 4.542 4.120 -0.000 0.000 0.268 256 V C 1.190 177.228 176.094 -0.093 0.000 1.046 256 V CA -0.056 62.204 62.300 -0.066 0.000 0.970 256 V CB 0.931 32.723 31.823 -0.052 0.000 1.001 256 V HN 0.999 nan 8.190 nan 0.000 0.476 257 G N 4.114 112.841 108.800 -0.122 0.000 2.491 257 G HA2 0.388 4.348 3.960 -0.000 0.000 0.242 257 G HA3 0.388 4.348 3.960 -0.000 0.000 0.242 257 G C 0.573 175.397 174.900 -0.126 0.000 1.266 257 G CA -0.261 44.745 45.100 -0.157 0.000 0.844 257 G HN 1.011 nan 8.290 nan 0.000 0.571 258 I N -0.545 119.948 120.570 -0.127 0.000 4.240 258 I HA 0.554 4.723 4.170 -0.000 0.000 0.331 258 I C 0.779 176.835 176.117 -0.101 0.000 1.381 258 I CA 0.005 61.234 61.300 -0.119 0.000 1.136 258 I CB -0.051 37.864 38.000 -0.142 0.000 1.137 258 I HN 0.960 nan 8.210 nan 0.000 0.411 259 G N 1.941 110.680 108.800 -0.101 0.000 2.662 259 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.686 259 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.686 259 G C 0.085 174.960 174.900 -0.043 0.000 1.271 259 G CA -0.257 44.797 45.100 -0.075 0.000 0.816 259 G HN 0.295 nan 8.290 nan 0.000 0.608 260 R N 0.009 120.484 120.500 -0.042 0.000 2.081 260 R HA -0.059 4.281 4.340 -0.000 0.000 0.235 260 R C 2.092 178.416 176.300 0.041 0.000 1.131 260 R CA 1.946 58.032 56.100 -0.024 0.000 0.960 260 R CB -0.248 29.967 30.300 -0.142 0.000 0.856 260 R HN 0.622 nan 8.270 nan 0.000 0.436 261 D N 0.567 120.997 120.400 0.049 0.000 2.123 261 D HA -0.146 4.494 4.640 -0.000 0.000 0.196 261 D C 1.664 178.052 176.300 0.147 0.000 0.992 261 D CA 1.365 55.422 54.000 0.095 0.000 0.833 261 D CB -0.061 40.779 40.800 0.066 0.000 0.954 261 D HN 0.191 nan 8.370 nan 0.000 0.455 262 K N -0.130 120.338 120.400 0.113 0.000 2.103 262 K HA -0.049 4.271 4.320 -0.000 0.000 0.204 262 K C 2.040 178.764 176.600 0.207 0.000 1.052 262 K CA 0.154 56.533 56.287 0.154 0.000 0.945 262 K CB -0.157 32.333 32.500 -0.018 0.000 0.722 262 K HN 0.020 nan 8.250 nan 0.000 0.443 263 L N 1.015 122.327 121.223 0.149 0.000 1.990 263 L HA -0.138 4.202 4.340 -0.000 0.000 0.213 263 L C 2.101 179.138 176.870 0.279 0.000 1.072 263 L CA 2.278 57.232 54.840 0.189 0.000 0.755 263 L CB -1.083 41.011 42.059 0.059 0.000 0.889 263 L HN 0.191 nan 8.230 nan 0.000 0.432 264 G N -0.810 108.140 108.800 0.250 0.000 2.446 264 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.217 264 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.217 264 G C 1.653 176.914 174.900 0.603 0.000 1.168 264 G CA 0.959 46.313 45.100 0.422 0.000 0.771 264 G HN 0.464 nan 8.290 nan 0.000 0.551 265 K N -0.168 120.520 120.400 0.479 0.000 2.057 265 K HA 0.029 4.349 4.320 -0.000 0.000 0.207 265 K C 2.437 179.287 176.600 0.417 0.000 1.049 265 K CA 0.956 57.507 56.287 0.441 0.000 0.931 265 K CB -0.202 32.493 32.500 0.325 0.000 0.714 265 K HN 0.342 nan 8.250 nan 0.000 0.440 266 I N -0.206 120.609 120.570 0.409 0.000 2.233 266 I HA -0.216 3.954 4.170 -0.000 0.000 0.243 266 I C 1.911 178.196 176.117 0.279 0.000 1.093 266 I CA 1.169 62.664 61.300 0.325 0.000 1.380 266 I CB -0.127 38.060 38.000 0.311 0.000 1.067 266 I HN 0.001 nan 8.210 nan 0.000 0.413 267 F N -0.354 119.753 119.950 0.263 0.000 2.259 267 F HA -0.213 4.314 4.527 -0.000 0.000 0.298 267 F C 2.399 178.435 175.800 0.392 0.000 1.088 267 F CA 1.323 59.486 58.000 0.272 0.000 1.358 267 F CB -0.655 38.432 39.000 0.146 0.000 1.040 267 F HN 0.030 nan 8.300 nan 0.000 0.505 268 Y N 0.756 121.376 120.300 0.534 0.000 2.145 268 Y HA -0.241 4.309 4.550 -0.000 0.000 0.286 268 Y C 2.736 178.689 175.900 0.088 0.000 1.145 268 Y CA 1.843 60.054 58.100 0.186 0.000 1.148 268 Y CB -0.377 37.965 38.460 -0.198 0.000 0.981 268 Y HN -0.102 nan 8.280 nan 0.000 0.507 269 R N 0.031 120.652 120.500 0.202 0.000 2.073 269 R HA -0.164 4.176 4.340 -0.000 0.000 0.234 269 R C 2.415 178.723 176.300 0.013 0.000 1.134 269 R CA 1.332 57.484 56.100 0.087 0.000 0.952 269 R CB -0.597 29.811 30.300 0.179 0.000 0.850 269 R HN 0.441 nan 8.270 nan 0.000 0.433 270 A N 1.049 123.924 122.820 0.091 0.000 1.883 270 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 270 A C 2.041 179.629 177.584 0.008 0.000 1.186 270 A CA 1.419 53.513 52.037 0.094 0.000 0.624 270 A CB -0.685 18.278 19.000 -0.062 0.000 0.822 270 A HN 0.391 nan 8.150 nan 0.000 0.444 271 L N 0.353 121.560 121.223 -0.026 0.000 2.046 271 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 271 L C 2.591 179.343 176.870 -0.196 0.000 1.077 271 L CA 2.978 57.776 54.840 -0.071 0.000 0.747 271 L CB -0.709 41.321 42.059 -0.048 0.000 0.896 271 L HN 0.565 nan 8.230 nan 0.000 0.432 272 T N -5.086 109.257 114.554 -0.352 0.000 3.057 272 T HA 0.042 4.392 4.350 -0.000 0.000 0.254 272 T C 1.562 176.081 174.700 -0.303 0.000 1.094 272 T CA 0.322 62.201 62.100 -0.368 0.000 1.088 272 T CB 0.093 68.629 68.868 -0.552 0.000 0.934 272 T HN 0.360 nan 8.240 nan 0.000 0.497 273 Q N -1.083 118.493 119.800 -0.373 0.000 2.288 273 Q HA 0.273 4.613 4.340 -0.000 0.000 0.256 273 Q C 0.523 176.052 176.000 -0.785 0.000 0.835 273 Q CA 0.443 55.877 55.803 -0.614 0.000 0.958 273 Q CB 0.629 28.869 28.738 -0.830 0.000 1.125 273 Q HN 0.629 nan 8.270 nan 0.000 0.513 274 Y N -0.462 119.795 120.300 -0.071 0.000 2.572 274 Y HA 0.285 4.835 4.550 -0.000 0.000 0.274 274 Y C 0.878 176.745 175.900 -0.055 0.000 1.135 274 Y CA -0.369 57.693 58.100 -0.063 0.000 1.230 274 Y CB 0.735 39.149 38.460 -0.077 0.000 1.293 274 Y HN -0.134 nan 8.280 nan 0.000 0.501 275 L N 1.376 122.641 121.223 0.069 0.000 2.436 275 L HA 0.344 4.684 4.340 -0.000 0.000 0.265 275 L C 0.665 177.550 176.870 0.025 0.000 1.168 275 L CA -0.055 54.814 54.840 0.048 0.000 0.815 275 L CB 0.845 42.932 42.059 0.047 0.000 1.109 275 L HN 0.166 nan 8.230 nan 0.000 0.462 276 T N -1.864 112.710 114.554 0.033 0.000 2.907 276 T HA 0.423 4.773 4.350 -0.000 0.000 0.290 276 T C -2.225 172.495 174.700 0.035 0.000 1.066 276 T CA -1.943 60.171 62.100 0.024 0.000 1.012 276 T CB 1.928 70.809 68.868 0.022 0.000 1.184 276 T HN 0.229 nan 8.240 nan 0.000 0.522 277 P HA -0.090 nan 4.420 nan 0.000 0.217 277 P C 1.256 178.583 177.300 0.045 0.000 1.148 277 P CA 1.663 64.787 63.100 0.039 0.000 0.834 277 P CB -0.160 31.557 31.700 0.027 0.000 0.783 278 T N -6.352 108.224 114.554 0.037 0.000 3.134 278 T HA 0.236 4.586 4.350 -0.000 0.000 0.260 278 T C 0.610 175.333 174.700 0.039 0.000 1.027 278 T CA -0.360 61.760 62.100 0.033 0.000 0.913 278 T CB -0.621 68.259 68.868 0.021 0.000 1.046 278 T HN -0.173 nan 8.240 nan 0.000 0.553 279 S N 3.992 119.722 115.700 0.051 0.000 2.552 279 S HA 0.264 4.734 4.470 -0.000 0.000 0.289 279 S C 0.603 175.255 174.600 0.087 0.000 1.304 279 S CA -0.502 57.733 58.200 0.059 0.000 1.063 279 S CB 0.091 63.333 63.200 0.069 0.000 0.848 279 S HN 0.862 nan 8.310 nan 0.000 0.499 280 N N 1.284 120.032 118.700 0.080 0.000 2.671 280 N HA 0.394 5.134 4.740 -0.000 0.000 0.303 280 N C 0.418 176.074 175.510 0.243 0.000 1.277 280 N CA -0.869 52.249 53.050 0.113 0.000 0.933 280 N CB -0.225 38.279 38.487 0.028 0.000 1.190 280 N HN 0.275 nan 8.380 nan 0.000 0.600 281 F N -0.413 119.552 119.950 0.025 0.000 2.102 281 F HA -0.084 4.443 4.527 -0.000 0.000 0.298 281 F C 2.751 178.482 175.800 -0.115 0.000 1.105 281 F CA 1.096 59.098 58.000 0.004 0.000 1.239 281 F CB -1.318 37.690 39.000 0.014 0.000 0.991 281 F HN 0.589 nan 8.300 nan 0.000 0.474 282 S N -0.374 115.354 115.700 0.047 0.000 2.374 282 S HA -0.258 4.212 4.470 -0.000 0.000 0.227 282 S C 1.979 176.512 174.600 -0.112 0.000 1.037 282 S CA 1.667 59.818 58.200 -0.082 0.000 1.024 282 S CB -0.272 62.878 63.200 -0.083 0.000 0.861 282 S HN 0.508 nan 8.310 nan 0.000 0.456 283 Q N -0.158 119.611 119.800 -0.051 0.000 2.167 283 Q HA -0.052 4.288 4.340 -0.000 0.000 0.202 283 Q C 2.171 178.103 176.000 -0.113 0.000 0.970 283 Q CA 1.305 57.067 55.803 -0.069 0.000 0.855 283 Q CB -0.275 28.454 28.738 -0.016 0.000 0.911 283 Q HN 0.508 nan 8.270 nan 0.000 0.438 284 L N 1.076 122.243 121.223 -0.093 0.000 2.017 284 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 284 L C 2.354 178.941 176.870 -0.472 0.000 1.073 284 L CA 1.834 56.571 54.840 -0.171 0.000 0.745 284 L CB -0.480 41.561 42.059 -0.030 0.000 0.894 284 L HN 0.064 nan 8.230 nan 0.000 0.432 285 R N -0.350 119.728 120.500 -0.703 0.000 2.083 285 R HA -0.206 4.134 4.340 -0.000 0.000 0.237 285 R C 2.127 178.054 176.300 -0.622 0.000 1.137 285 R CA 1.759 57.149 56.100 -1.182 0.000 0.951 285 R CB -0.541 29.193 30.300 -0.943 0.000 0.851 285 R HN 0.512 nan 8.270 nan 0.000 0.434 286 A N 0.770 123.357 122.820 -0.388 0.000 1.902 286 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 286 A C 2.424 179.817 177.584 -0.319 0.000 1.181 286 A CA 1.740 53.603 52.037 -0.290 0.000 0.623 286 A CB -0.868 18.005 19.000 -0.211 0.000 0.818 286 A HN 0.589 nan 8.150 nan 0.000 0.443 287 A N -0.158 122.489 122.820 -0.287 0.000 1.908 287 A HA 0.094 4.414 4.320 -0.000 0.000 0.218 287 A C 2.493 179.910 177.584 -0.278 0.000 1.181 287 A CA 2.327 54.206 52.037 -0.263 0.000 0.627 287 A CB -0.988 17.963 19.000 -0.081 0.000 0.818 287 A HN 1.096 nan 8.150 nan 0.000 0.445 288 A N -0.871 121.751 122.820 -0.330 0.000 1.929 288 A HA 0.101 4.421 4.320 -0.000 0.000 0.216 288 A C 2.205 179.677 177.584 -0.187 0.000 1.176 288 A CA 1.506 53.364 52.037 -0.299 0.000 0.628 288 A CB -0.766 18.017 19.000 -0.362 0.000 0.816 288 A HN 0.356 nan 8.150 nan 0.000 0.444 289 V N -0.068 119.711 119.914 -0.226 0.000 2.343 289 V HA -0.279 3.841 4.120 -0.000 0.000 0.247 289 V C 2.757 178.757 176.094 -0.157 0.000 1.051 289 V CA 2.374 64.586 62.300 -0.147 0.000 1.036 289 V CB -0.668 31.062 31.823 -0.155 0.000 0.654 289 V HN 0.700 nan 8.190 nan 0.000 0.451 290 Q N 0.268 119.899 119.800 -0.282 0.000 2.124 290 Q HA -0.151 4.189 4.340 -0.000 0.000 0.202 290 Q C 2.321 178.187 176.000 -0.224 0.000 0.977 290 Q CA 2.240 57.823 55.803 -0.366 0.000 0.850 290 Q CB -0.447 27.818 28.738 -0.787 0.000 0.901 290 Q HN 0.605 nan 8.270 nan 0.000 0.429 291 S N -0.038 115.583 115.700 -0.133 0.000 2.368 291 S HA -0.114 4.356 4.470 -0.000 0.000 0.225 291 S C 1.892 176.530 174.600 0.062 0.000 1.030 291 S CA 1.008 59.257 58.200 0.081 0.000 0.999 291 S CB -0.569 62.707 63.200 0.126 0.000 0.844 291 S HN 0.602 nan 8.310 nan 0.000 0.459 292 A N 1.237 124.103 122.820 0.077 0.000 1.898 292 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 292 A C 2.326 179.995 177.584 0.142 0.000 1.181 292 A CA 1.968 54.126 52.037 0.201 0.000 0.620 292 A CB -1.347 17.768 19.000 0.192 0.000 0.819 292 A HN 0.461 nan 8.150 nan 0.000 0.442 293 T N 0.431 115.012 114.554 0.045 0.000 2.684 293 T HA -0.155 4.195 4.350 -0.000 0.000 0.267 293 T C 1.543 176.240 174.700 -0.005 0.000 1.036 293 T CA 1.706 63.817 62.100 0.017 0.000 1.148 293 T CB -0.509 68.342 68.868 -0.028 0.000 0.863 293 T HN 0.479 nan 8.240 nan 0.000 0.436 294 D N 1.036 121.425 120.400 -0.018 0.000 2.106 294 D HA -0.061 4.579 4.640 -0.000 0.000 0.191 294 D C 2.049 178.288 176.300 -0.102 0.000 0.997 294 D CA 1.021 55.008 54.000 -0.021 0.000 0.834 294 D CB -0.414 40.411 40.800 0.041 0.000 0.956 294 D HN 0.313 nan 8.370 nan 0.000 0.448 295 L N -1.431 119.655 121.223 -0.229 0.000 2.209 295 L HA -0.075 4.265 4.340 -0.000 0.000 0.207 295 L C 1.221 177.618 176.870 -0.789 0.000 1.094 295 L CA 0.775 55.265 54.840 -0.583 0.000 0.790 295 L CB 0.043 41.517 42.059 -0.975 0.000 0.932 295 L HN 0.097 nan 8.230 nan 0.000 0.447 296 Y N -1.093 119.227 120.300 0.033 0.000 2.540 296 Y HA 0.477 5.027 4.550 -0.000 0.000 0.257 296 Y C 0.961 176.870 175.900 0.015 0.000 1.090 296 Y CA -0.174 57.940 58.100 0.024 0.000 1.242 296 Y CB 0.484 38.959 38.460 0.026 0.000 1.325 296 Y HN 0.012 nan 8.280 nan 0.000 0.544 297 G N 0.640 109.500 108.800 0.100 0.000 2.785 297 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.686 297 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.686 297 G C 0.746 175.683 174.900 0.062 0.000 1.155 297 G CA -0.007 45.132 45.100 0.065 0.000 0.760 297 G HN 0.322 nan 8.290 nan 0.000 0.624 298 S N -0.172 115.546 115.700 0.031 0.000 2.400 298 S HA -0.222 4.248 4.470 -0.000 0.000 0.234 298 S C 2.294 176.907 174.600 0.022 0.000 1.049 298 S CA 3.144 61.355 58.200 0.018 0.000 1.039 298 S CB -0.376 62.826 63.200 0.003 0.000 0.856 298 S HN 2.282 nan 8.310 nan 0.000 0.465 299 T N 0.090 114.660 114.554 0.027 0.000 3.145 299 T HA 0.365 4.715 4.350 -0.000 0.000 0.255 299 T C 0.646 175.362 174.700 0.027 0.000 1.039 299 T CA 0.179 62.292 62.100 0.021 0.000 0.928 299 T CB -0.200 68.678 68.868 0.016 0.000 1.029 299 T HN 0.516 nan 8.240 nan 0.000 0.554 300 S N 0.760 116.487 115.700 0.044 0.000 2.600 300 S HA 0.193 4.663 4.470 -0.000 0.000 0.265 300 S C 1.335 175.942 174.600 0.012 0.000 1.325 300 S CA -0.506 57.719 58.200 0.043 0.000 1.002 300 S CB 1.239 64.499 63.200 0.100 0.000 0.921 300 S HN 0.159 nan 8.310 nan 0.000 0.554 301 Q N 0.678 120.468 119.800 -0.017 0.000 2.124 301 Q HA -0.126 4.214 4.340 -0.000 0.000 0.202 301 Q C 1.687 177.657 176.000 -0.051 0.000 0.977 301 Q CA 2.132 57.912 55.803 -0.038 0.000 0.850 301 Q CB -0.601 28.100 28.738 -0.061 0.000 0.901 301 Q HN 0.875 nan 8.270 nan 0.000 0.429 302 E N -1.031 119.116 120.200 -0.089 0.000 2.047 302 E HA -0.104 4.246 4.350 -0.000 0.000 0.191 302 E C 2.000 178.603 176.600 0.006 0.000 0.987 302 E CA 1.344 57.673 56.400 -0.119 0.000 0.799 302 E CB -0.298 29.184 29.700 -0.362 0.000 0.752 302 E HN 0.167 nan 8.360 nan 0.000 0.449 303 V N 0.990 120.935 119.914 0.051 0.000 2.343 303 V HA -0.282 3.838 4.120 -0.000 0.000 0.247 303 V C 2.211 178.326 176.094 0.034 0.000 1.051 303 V CA 1.840 64.172 62.300 0.054 0.000 1.036 303 V CB -0.843 31.010 31.823 0.049 0.000 0.654 303 V HN 0.364 nan 8.190 nan 0.000 0.451 304 A N -0.516 122.315 122.820 0.019 0.000 1.908 304 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 304 A C 2.474 180.070 177.584 0.019 0.000 1.181 304 A CA 2.377 54.423 52.037 0.015 0.000 0.627 304 A CB -0.667 18.336 19.000 0.005 0.000 0.818 304 A HN 0.520 nan 8.150 nan 0.000 0.445 305 S N -0.594 115.110 115.700 0.007 0.000 2.383 305 S HA -0.090 4.380 4.470 -0.000 0.000 0.227 305 S C 1.881 176.504 174.600 0.039 0.000 1.026 305 S CA 1.190 59.391 58.200 0.002 0.000 0.981 305 S CB -0.390 62.791 63.200 -0.032 0.000 0.818 305 S HN 0.347 nan 8.310 nan 0.000 0.472 306 V N 2.223 122.185 119.914 0.080 0.000 2.287 306 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 306 V C 2.309 178.546 176.094 0.238 0.000 1.053 306 V CA 1.724 64.131 62.300 0.179 0.000 1.027 306 V CB -0.550 31.376 31.823 0.171 0.000 0.646 306 V HN 0.444 nan 8.190 nan 0.000 0.447 307 K N -0.460 120.022 120.400 0.137 0.000 2.057 307 K HA -0.232 4.088 4.320 -0.000 0.000 0.207 307 K C 2.303 178.974 176.600 0.119 0.000 1.049 307 K CA 1.705 58.067 56.287 0.124 0.000 0.931 307 K CB -0.259 32.274 32.500 0.055 0.000 0.714 307 K HN 0.526 nan 8.250 nan 0.000 0.440 308 Q N 0.240 120.083 119.800 0.073 0.000 2.061 308 Q HA -0.182 4.158 4.340 -0.000 0.000 0.204 308 Q C 2.176 178.203 176.000 0.044 0.000 0.984 308 Q CA 1.832 57.666 55.803 0.051 0.000 0.846 308 Q CB -0.234 28.518 28.738 0.023 0.000 0.902 308 Q HN 0.365 nan 8.270 nan 0.000 0.421 309 A N 0.129 122.956 122.820 0.011 0.000 1.873 309 A HA -0.157 4.163 4.320 -0.000 0.000 0.215 309 A C 1.794 179.277 177.584 -0.168 0.000 1.186 309 A CA 1.170 53.146 52.037 -0.101 0.000 0.616 309 A CB -0.776 18.114 19.000 -0.183 0.000 0.823 309 A HN 0.320 nan 8.150 nan 0.000 0.442 310 F N 0.798 120.748 119.950 -0.000 0.000 2.134 310 F HA -0.176 4.351 4.527 -0.000 0.000 0.299 310 F C 2.143 177.928 175.800 -0.025 0.000 1.097 310 F CA 1.706 59.690 58.000 -0.027 0.000 1.264 310 F CB -0.393 38.579 39.000 -0.046 0.000 1.001 310 F HN 0.205 nan 8.300 nan 0.000 0.479 311 D N 0.140 120.617 120.400 0.129 0.000 2.104 311 D HA -0.179 4.461 4.640 -0.000 0.000 0.194 311 D C 2.376 178.727 176.300 0.085 0.000 0.994 311 D CA 1.500 55.552 54.000 0.086 0.000 0.830 311 D CB -0.720 40.126 40.800 0.077 0.000 0.959 311 D HN 0.236 nan 8.370 nan 0.000 0.452 312 A N 0.692 123.573 122.820 0.101 0.000 1.940 312 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 312 A C 2.239 179.966 177.584 0.238 0.000 1.176 312 A CA 1.946 54.096 52.037 0.189 0.000 0.631 312 A CB -0.622 18.504 19.000 0.209 0.000 0.814 312 A HN 0.267 nan 8.150 nan 0.000 0.446 313 V N -3.708 116.254 119.914 0.080 0.000 3.633 313 V HA 0.527 4.647 4.120 -0.000 0.000 0.283 313 V C 1.213 177.049 176.094 -0.430 0.000 1.305 313 V CA 0.599 62.875 62.300 -0.040 0.000 1.153 313 V CB -0.953 30.853 31.823 -0.029 0.000 0.950 313 V HN 1.562 nan 8.190 nan 0.000 0.432 314 G N -0.064 108.508 108.800 -0.379 0.000 2.147 314 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.244 314 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.244 314 G C -0.052 174.762 174.900 -0.143 0.000 1.005 314 G CA 0.100 44.983 45.100 -0.363 0.000 0.713 314 G HN 0.936 nan 8.290 nan 0.000 0.515 315 V N 1.731 121.596 119.914 -0.082 0.000 2.334 315 V HA 0.519 4.639 4.120 -0.000 0.000 0.281 315 V C 0.249 176.323 176.094 -0.033 0.000 1.016 315 V CA -0.925 61.309 62.300 -0.110 0.000 0.832 315 V CB 1.525 33.390 31.823 0.070 0.000 0.999 315 V HN 0.258 nan 8.190 nan 0.000 0.439 316 K N 0.000 120.341 120.400 -0.099 0.000 2.780 316 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 316 K CA 0.000 56.248 56.287 -0.065 0.000 0.838 316 K CB 0.000 32.474 32.500 -0.044 0.000 1.064 316 K HN 0.000 nan 8.250 nan 0.000 0.543