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 1kcz_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKIVDVLCTP GLTGFYFDDQ RAIKKGAGHD GFTYTGSTVT EGFTQVRQKG DATA SEQUENCE ESISVLLVLE DGQVAHGDCA AVQYSGAGGR DPLFLAKDFI PVIEKEIAPK DATA SEQUENCE LIGREITNFK PMAEEFDKMT VNGNRLHTAI RYGITQAILD AVAKTRKVTM DATA SEQUENCE AEVIRDEYNP GAEINAVPVF AQSGDDRYDN VDKMIIKEAD VLPHALINNV DATA SEQUENCE EEKLGLKGEK LLEYVKWLRD RIIKLRVRED YAPIFHIDVY GTIGAAFDVD DATA SEQUENCE IKAMADYIQT LAEAAKPFHL RIEGPMDVED RQKQMEAMRD LRAELDGRGV DATA SEQUENCE DAELVADEWC NTVEDVKFFT DNKAGHMVQI KTPDLGGVNN IADAIMYCKA DATA SEQUENCE NGMGAYCGGT XNETNRSAEV TTNIGMACGA RQVLAKPGMG VDEGMMIVKN DATA SEQUENCE EMNRVLALVG RRK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.312 176.300 0.019 0.000 1.140 1 M CA 0.000 55.310 55.300 0.017 0.000 0.988 1 M CB 0.000 32.611 32.600 0.018 0.000 1.302 2 K N 4.097 124.507 120.400 0.017 0.000 2.221 2 K HA 0.737 5.064 4.320 0.010 0.000 0.243 2 K C -0.897 175.711 176.600 0.013 0.000 0.968 2 K CA -0.894 55.403 56.287 0.018 0.000 0.846 2 K CB 1.850 34.361 32.500 0.018 0.000 1.141 2 K HN 0.681 nan 8.250 nan 0.000 0.434 3 I N 2.273 122.850 120.570 0.012 0.000 2.416 3 I HA -0.045 4.131 4.170 0.010 0.000 0.288 3 I C 1.194 177.316 176.117 0.007 0.000 1.051 3 I CA -0.096 61.206 61.300 0.004 0.000 1.375 3 I CB 0.945 38.941 38.000 -0.006 0.000 1.407 3 I HN 0.487 nan 8.210 nan 0.000 0.516 4 V N 0.504 120.421 119.914 0.005 0.000 3.645 4 V HA 0.419 4.546 4.120 0.010 0.000 0.275 4 V C 0.064 176.161 176.094 0.005 0.000 1.356 4 V CA 0.356 62.660 62.300 0.007 0.000 1.051 4 V CB 0.365 32.191 31.823 0.006 0.000 0.828 4 V HN 0.744 nan 8.190 nan 0.000 0.441 5 D N -0.985 119.416 120.400 0.001 0.000 2.654 5 D HA 0.585 5.231 4.640 0.010 0.000 0.231 5 D C -1.661 174.637 176.300 -0.004 0.000 1.239 5 D CA -0.107 53.893 54.000 0.000 0.000 0.790 5 D CB 2.809 43.608 40.800 -0.001 0.000 1.480 5 D HN -0.039 nan 8.370 nan 0.000 0.442 6 V N 2.594 122.507 119.914 -0.002 0.000 2.525 6 V HA 0.542 4.668 4.120 0.010 0.000 0.299 6 V C -0.418 175.676 176.094 0.000 0.000 1.034 6 V CA -0.581 61.717 62.300 -0.004 0.000 0.863 6 V CB 1.616 33.437 31.823 -0.003 0.000 0.999 6 V HN 0.410 nan 8.190 nan 0.000 0.423 7 L N 3.946 125.167 121.223 -0.003 0.000 2.362 7 L HA 0.712 5.058 4.340 0.010 0.000 0.271 7 L C -0.861 176.010 176.870 0.002 0.000 1.002 7 L CA -0.343 54.495 54.840 -0.004 0.000 0.818 7 L CB 2.236 44.286 42.059 -0.016 0.000 1.298 7 L HN 0.566 nan 8.230 nan 0.000 0.420 8 C N 1.008 120.313 119.300 0.007 0.000 2.455 8 C HA 0.804 5.270 4.460 0.010 0.000 0.320 8 C C 0.287 175.280 174.990 0.005 0.000 1.226 8 C CA -0.587 58.442 59.018 0.018 0.000 1.569 8 C CB 1.546 29.305 27.740 0.032 0.000 2.200 8 C HN 0.850 nan 8.230 nan 0.000 0.491 9 T N 0.918 115.475 114.554 0.004 0.000 2.893 9 T HA 0.689 5.045 4.350 0.010 0.000 0.293 9 T C -3.059 171.643 174.700 0.003 0.000 1.027 9 T CA -1.656 60.440 62.100 -0.006 0.000 0.988 9 T CB 1.836 70.690 68.868 -0.023 0.000 1.043 9 T HN 0.441 nan 8.240 nan 0.000 0.461 10 P HA 0.558 nan 4.420 nan 0.000 0.274 10 P C 0.040 177.337 177.300 -0.005 0.000 1.237 10 P CA 0.086 63.179 63.100 -0.011 0.000 0.793 10 P CB 1.074 32.758 31.700 -0.027 0.000 0.977 11 G N 0.543 109.343 108.800 0.001 0.000 2.645 11 G HA2 0.562 4.528 3.960 0.010 0.000 0.292 11 G HA3 0.562 4.528 3.960 0.010 0.000 0.292 11 G C -1.349 173.537 174.900 -0.024 0.000 1.415 11 G CA -0.798 44.300 45.100 -0.003 0.000 0.785 11 G HN 0.405 nan 8.290 nan 0.000 0.483 12 L N -0.296 120.903 121.223 -0.040 0.000 2.440 12 L HA 0.800 5.146 4.340 0.010 0.000 0.262 12 L C 1.113 177.938 176.870 -0.075 0.000 1.072 12 L CA -0.665 54.124 54.840 -0.085 0.000 0.798 12 L CB 2.013 44.016 42.059 -0.093 0.000 1.307 12 L HN 0.875 nan 8.230 nan 0.000 0.475 13 T N -4.066 110.410 114.554 -0.129 0.000 2.716 13 T HA 0.349 4.705 4.350 0.010 0.000 0.286 13 T C 0.600 175.246 174.700 -0.089 0.000 1.052 13 T CA -0.086 61.958 62.100 -0.094 0.000 1.024 13 T CB 1.221 70.012 68.868 -0.128 0.000 1.349 13 T HN 0.599 nan 8.240 nan 0.000 0.525 14 G N -1.051 107.737 108.800 -0.022 0.000 2.848 14 G HA2 0.406 4.372 3.960 0.010 0.000 0.208 14 G HA3 0.406 4.372 3.960 0.010 0.000 0.208 14 G C -0.198 174.806 174.900 0.173 0.000 1.152 14 G CA 0.194 45.318 45.100 0.040 0.000 0.789 14 G HN 0.507 nan 8.290 nan 0.000 0.531 15 F N -1.922 117.909 119.950 -0.198 0.000 4.063 15 F HA 0.618 5.151 4.527 0.010 0.000 0.330 15 F C -1.620 173.847 175.800 -0.556 0.000 1.176 15 F CA -1.912 55.983 58.000 -0.175 0.000 0.895 15 F CB 0.666 39.705 39.000 0.065 0.000 1.770 15 F HN -0.121 nan 8.300 nan 0.000 0.517 16 Y N 0.309 120.409 120.300 -0.333 0.000 2.570 16 Y HA 0.532 5.087 4.550 0.008 0.000 0.345 16 Y C -1.019 174.862 175.900 -0.032 0.000 1.014 16 Y CA -1.254 56.672 58.100 -0.290 0.000 1.063 16 Y CB 1.437 39.638 38.460 -0.432 0.000 1.272 16 Y HN 0.148 nan 8.280 nan 0.000 0.477 17 F N 2.067 122.151 119.950 0.224 0.000 2.411 17 F HA 0.304 4.845 4.527 0.023 0.000 0.355 17 F C -0.287 175.797 175.800 0.472 0.000 1.117 17 F CA -0.476 57.709 58.000 0.308 0.000 1.139 17 F CB 0.783 39.904 39.000 0.201 0.000 1.120 17 F HN 0.379 nan 8.300 nan 0.000 0.493 18 D N 1.991 122.768 120.400 0.629 0.000 2.350 18 D HA 0.092 4.738 4.640 0.010 0.000 0.245 18 D C -0.865 175.518 176.300 0.138 0.000 1.036 18 D CA -0.463 53.780 54.000 0.405 0.000 0.848 18 D CB 1.726 42.757 40.800 0.385 0.000 1.307 18 D HN 0.345 nan 8.370 nan 0.000 0.469 19 D N 1.570 121.684 120.400 -0.475 0.000 2.453 19 D HA -0.020 4.626 4.640 0.010 0.000 0.223 19 D C 0.922 176.951 176.300 -0.453 0.000 1.183 19 D CA 0.082 53.531 54.000 -0.918 0.000 0.933 19 D CB 0.673 40.782 40.800 -1.151 0.000 1.038 19 D HN 0.349 nan 8.370 nan 0.000 0.513 20 Q N 3.702 123.310 119.800 -0.319 0.000 2.084 20 Q HA -0.187 4.160 4.340 0.010 0.000 0.202 20 Q C 1.607 177.393 176.000 -0.357 0.000 0.978 20 Q CA 1.178 56.709 55.803 -0.454 0.000 0.844 20 Q CB 0.301 28.620 28.738 -0.697 0.000 0.898 20 Q HN 0.425 nan 8.270 nan 0.000 0.426 21 R N -0.324 120.003 120.500 -0.288 0.000 2.081 21 R HA -0.130 4.217 4.340 0.010 0.000 0.235 21 R C 2.305 178.471 176.300 -0.223 0.000 1.131 21 R CA 1.257 57.225 56.100 -0.219 0.000 0.960 21 R CB -0.369 29.833 30.300 -0.164 0.000 0.856 21 R HN 0.298 nan 8.270 nan 0.000 0.436 22 A N 1.050 123.707 122.820 -0.271 0.000 1.930 22 A HA -0.088 4.238 4.320 0.010 0.000 0.217 22 A C 2.133 179.553 177.584 -0.274 0.000 1.175 22 A CA 0.990 52.879 52.037 -0.246 0.000 0.627 22 A CB -0.376 18.468 19.000 -0.259 0.000 0.815 22 A HN 0.166 nan 8.150 nan 0.000 0.443 23 I N -0.324 120.028 120.570 -0.363 0.000 2.226 23 I HA -0.277 3.899 4.170 0.010 0.000 0.245 23 I C 2.378 178.356 176.117 -0.232 0.000 1.100 23 I CA 1.507 62.577 61.300 -0.383 0.000 1.374 23 I CB -0.269 37.440 38.000 -0.485 0.000 1.057 23 I HN 0.271 nan 8.210 nan 0.000 0.413 24 K N 0.885 121.157 120.400 -0.213 0.000 2.147 24 K HA -0.164 4.163 4.320 0.010 0.000 0.205 24 K C 1.913 178.442 176.600 -0.118 0.000 1.049 24 K CA 1.121 57.317 56.287 -0.151 0.000 0.936 24 K CB -0.127 32.282 32.500 -0.151 0.000 0.722 24 K HN 0.313 nan 8.250 nan 0.000 0.446 25 K N -0.472 119.852 120.400 -0.127 0.000 2.504 25 K HA -0.039 4.287 4.320 0.010 0.000 0.195 25 K C 0.762 177.310 176.600 -0.087 0.000 1.036 25 K CA 0.711 56.940 56.287 -0.097 0.000 0.984 25 K CB 0.383 32.826 32.500 -0.094 0.000 0.788 25 K HN 0.391 nan 8.250 nan 0.000 0.488 26 G N 0.662 109.401 108.800 -0.102 0.000 2.145 26 G HA2 -0.161 3.805 3.960 0.010 0.000 0.145 26 G HA3 -0.161 3.805 3.960 0.010 0.000 0.145 26 G C 0.024 174.863 174.900 -0.101 0.000 1.017 26 G CA -0.248 44.801 45.100 -0.086 0.000 0.682 26 G HN 0.363 nan 8.290 nan 0.000 0.504 27 A N 0.171 122.908 122.820 -0.138 0.000 2.540 27 A HA 0.619 4.945 4.320 0.010 0.000 0.239 27 A C 1.297 178.806 177.584 -0.124 0.000 1.061 27 A CA 1.278 53.242 52.037 -0.122 0.000 0.758 27 A CB 0.353 19.242 19.000 -0.185 0.000 0.991 27 A HN 1.778 nan 8.150 nan 0.000 0.502 28 G N 0.763 109.501 108.800 -0.104 0.000 2.557 28 G HA2 0.534 4.501 3.960 0.010 0.000 0.292 28 G HA3 0.534 4.501 3.960 0.010 0.000 0.292 28 G C -0.323 174.418 174.900 -0.264 0.000 1.237 28 G CA -0.525 44.467 45.100 -0.180 0.000 0.978 28 G HN 0.820 nan 8.290 nan 0.000 0.498 29 H N -0.334 118.732 119.070 -0.006 0.000 2.472 29 H HA 0.430 4.993 4.556 0.012 0.000 0.338 29 H C -1.195 174.081 175.328 -0.087 0.000 1.133 29 H CA -0.366 55.614 56.048 -0.115 0.000 1.216 29 H CB 2.442 32.115 29.762 -0.149 0.000 1.497 29 H HN 0.455 nan 8.280 nan 0.000 0.500 30 D N 1.519 121.920 120.400 0.003 0.000 2.328 30 D HA 0.260 4.906 4.640 0.010 0.000 0.243 30 D C 0.949 177.242 176.300 -0.012 0.000 1.324 30 D CA 0.443 54.444 54.000 0.002 0.000 0.966 30 D CB 0.403 41.206 40.800 0.003 0.000 1.324 30 D HN 0.928 nan 8.370 nan 0.000 0.549 31 G N 2.858 111.657 108.800 -0.002 0.000 2.622 31 G HA2 -0.385 3.582 3.960 0.010 0.000 0.307 31 G HA3 -0.385 3.582 3.960 0.010 0.000 0.307 31 G C 0.836 175.741 174.900 0.009 0.000 1.226 31 G CA 0.393 45.503 45.100 0.017 0.000 0.997 31 G HN 0.508 nan 8.290 nan 0.000 0.551 32 F N 3.500 123.377 119.950 -0.121 0.000 2.802 32 F HA 0.340 4.873 4.527 0.010 0.000 0.300 32 F C 2.018 177.665 175.800 -0.254 0.000 1.168 32 F CA 1.668 59.557 58.000 -0.185 0.000 1.433 32 F CB -0.148 38.746 39.000 -0.176 0.000 1.115 32 F HN 0.767 nan 8.300 nan 0.000 0.582 33 T N -2.634 111.809 114.554 -0.185 0.000 2.937 33 T HA 0.407 4.764 4.350 0.010 0.000 0.283 33 T C -0.845 173.690 174.700 -0.276 0.000 1.012 33 T CA -0.415 61.570 62.100 -0.193 0.000 0.997 33 T CB 1.346 70.203 68.868 -0.018 0.000 1.136 33 T HN -0.017 nan 8.240 nan 0.000 0.551 34 Y N 0.242 120.500 120.300 -0.071 0.000 2.446 34 Y HA 0.546 5.104 4.550 0.013 0.000 0.338 34 Y C 1.175 177.034 175.900 -0.067 0.000 1.055 34 Y CA -0.725 57.320 58.100 -0.091 0.000 1.101 34 Y CB 2.200 40.593 38.460 -0.111 0.000 1.221 34 Y HN 1.000 nan 8.280 nan 0.000 0.460 35 T N -0.695 113.913 114.554 0.090 0.000 2.952 35 T HA 0.874 5.231 4.350 0.010 0.000 0.286 35 T C 0.218 174.928 174.700 0.017 0.000 1.024 35 T CA -0.167 61.956 62.100 0.038 0.000 1.029 35 T CB 1.520 70.394 68.868 0.010 0.000 1.094 35 T HN 1.340 nan 8.240 nan 0.000 0.515 36 G N 0.580 109.383 108.800 0.006 0.000 2.592 36 G HA2 0.111 4.078 3.960 0.010 0.000 0.684 36 G HA3 0.111 4.078 3.960 0.010 0.000 0.684 36 G C -0.400 174.493 174.900 -0.012 0.000 1.291 36 G CA -0.535 44.558 45.100 -0.012 0.000 0.891 36 G HN 1.024 nan 8.290 nan 0.000 0.544 37 S N 0.216 115.904 115.700 -0.021 0.000 2.585 37 S HA 0.612 5.088 4.470 0.010 0.000 0.273 37 S C 1.163 175.740 174.600 -0.037 0.000 1.339 37 S CA 0.379 58.569 58.200 -0.017 0.000 1.028 37 S CB 1.046 64.236 63.200 -0.017 0.000 0.906 37 S HN 1.590 nan 8.310 nan 0.000 0.528 38 T N -0.770 113.773 114.554 -0.018 0.000 2.868 38 T HA 0.406 4.762 4.350 0.010 0.000 0.292 38 T C 0.777 175.449 174.700 -0.048 0.000 1.028 38 T CA -0.736 61.337 62.100 -0.044 0.000 1.059 38 T CB 0.700 69.592 68.868 0.040 0.000 0.991 38 T HN 0.254 nan 8.240 nan 0.000 0.531 39 V N 0.115 119.975 119.914 -0.089 0.000 3.371 39 V HA 0.174 4.300 4.120 0.010 0.000 0.246 39 V C 1.126 177.200 176.094 -0.033 0.000 1.303 39 V CA 0.288 62.547 62.300 -0.068 0.000 1.156 39 V CB 0.448 32.208 31.823 -0.105 0.000 0.929 39 V HN 1.015 nan 8.190 nan 0.000 0.459 40 T N 1.670 116.202 114.554 -0.038 0.000 2.806 40 T HA 0.281 4.637 4.350 0.010 0.000 0.290 40 T C -0.029 174.798 174.700 0.210 0.000 0.966 40 T CA -0.146 61.998 62.100 0.073 0.000 1.060 40 T CB 1.079 69.979 68.868 0.053 0.000 0.927 40 T HN 0.323 nan 8.240 nan 0.000 0.485 41 E N 1.115 121.402 120.200 0.144 0.000 2.502 41 E HA 0.237 4.593 4.350 0.010 0.000 0.261 41 E C 1.307 177.995 176.600 0.147 0.000 0.974 41 E CA 1.080 57.552 56.400 0.121 0.000 0.936 41 E CB 0.210 29.954 29.700 0.074 0.000 0.926 41 E HN 0.977 nan 8.360 nan 0.000 0.459 42 G N 3.057 111.909 108.800 0.086 0.000 2.284 42 G HA2 -0.295 3.672 3.960 0.010 0.000 0.230 42 G HA3 -0.295 3.672 3.960 0.010 0.000 0.230 42 G C 0.015 174.886 174.900 -0.048 0.000 1.021 42 G CA -0.317 44.776 45.100 -0.012 0.000 0.619 42 G HN 0.453 nan 8.290 nan 0.000 0.510 43 F N 1.998 121.959 119.950 0.018 0.000 2.471 43 F HA 0.465 4.991 4.527 -0.001 0.000 0.353 43 F C 1.959 177.780 175.800 0.035 0.000 1.113 43 F CA 1.142 59.164 58.000 0.036 0.000 1.262 43 F CB 1.572 40.594 39.000 0.038 0.000 1.146 43 F HN 0.100 nan 8.300 nan 0.000 0.578 44 T N -1.494 113.182 114.554 0.202 0.000 2.971 44 T HA 0.247 4.603 4.350 0.010 0.000 0.252 44 T C 0.152 174.944 174.700 0.153 0.000 1.022 44 T CA -0.120 62.064 62.100 0.141 0.000 0.980 44 T CB 0.070 68.987 68.868 0.082 0.000 1.044 44 T HN 0.565 nan 8.240 nan 0.000 0.501 45 Q N -0.051 119.880 119.800 0.218 0.000 2.456 45 Q HA 0.612 4.958 4.340 0.010 0.000 0.283 45 Q C 0.373 176.514 176.000 0.234 0.000 1.084 45 Q CA -0.883 55.033 55.803 0.189 0.000 0.801 45 Q CB 2.632 31.473 28.738 0.172 0.000 1.434 45 Q HN -0.148 nan 8.270 nan 0.000 0.419 46 V N 0.208 120.192 119.914 0.118 0.000 2.407 46 V HA -0.179 3.947 4.120 0.010 0.000 0.248 46 V C 0.821 176.983 176.094 0.113 0.000 1.055 46 V CA 1.757 64.060 62.300 0.005 0.000 1.049 46 V CB -0.367 31.422 31.823 -0.057 0.000 0.662 46 V HN 0.616 nan 8.190 nan 0.000 0.455 47 R N 0.976 121.618 120.500 0.236 0.000 2.480 47 R HA 0.483 4.829 4.340 0.010 0.000 0.306 47 R C -0.595 175.895 176.300 0.318 0.000 0.958 47 R CA -0.460 55.816 56.100 0.293 0.000 0.861 47 R CB 1.203 31.627 30.300 0.206 0.000 1.171 47 R HN 0.562 nan 8.270 nan 0.000 0.445 48 Q N 3.067 123.111 119.800 0.407 0.000 2.544 48 Q HA 0.339 4.685 4.340 0.010 0.000 0.291 48 Q C -1.308 174.856 176.000 0.273 0.000 1.068 48 Q CA -1.345 54.656 55.803 0.330 0.000 0.785 48 Q CB 1.703 30.611 28.738 0.282 0.000 1.481 48 Q HN 0.584 nan 8.270 nan 0.000 0.430 49 K N 0.125 120.588 120.400 0.105 0.000 2.436 49 K HA 0.329 4.656 4.320 0.010 0.000 0.275 49 K C 0.198 176.594 176.600 -0.339 0.000 0.999 49 K CA 0.127 56.320 56.287 -0.157 0.000 0.980 49 K CB 0.129 32.546 32.500 -0.139 0.000 0.919 49 K HN 0.685 nan 8.250 nan 0.000 0.484 50 G N 2.372 110.786 108.800 -0.643 0.000 2.527 50 G HA2 0.164 4.130 3.960 0.010 0.000 0.248 50 G HA3 0.164 4.130 3.960 0.010 0.000 0.248 50 G C -0.887 173.613 174.900 -0.666 0.000 1.231 50 G CA -0.634 43.811 45.100 -1.092 0.000 0.838 50 G HN 0.749 nan 8.290 nan 0.000 0.570 51 E N -0.471 119.372 120.200 -0.594 0.000 2.317 51 E HA 0.516 4.872 4.350 0.010 0.000 0.270 51 E C -0.599 176.080 176.600 0.132 0.000 0.885 51 E CA -0.731 55.623 56.400 -0.076 0.000 0.760 51 E CB 2.241 31.995 29.700 0.090 0.000 1.227 51 E HN 0.582 nan 8.360 nan 0.000 0.434 52 S N 1.366 117.135 115.700 0.115 0.000 2.671 52 S HA 0.719 5.195 4.470 0.010 0.000 0.299 52 S C -0.492 174.211 174.600 0.171 0.000 1.116 52 S CA -0.825 57.508 58.200 0.221 0.000 0.912 52 S CB 1.087 64.368 63.200 0.136 0.000 1.130 52 S HN 0.425 nan 8.310 nan 0.000 0.501 53 I N 1.606 122.318 120.570 0.236 0.000 2.447 53 I HA 0.315 4.492 4.170 0.010 0.000 0.287 53 I C -0.386 175.820 176.117 0.147 0.000 1.023 53 I CA -0.522 60.870 61.300 0.153 0.000 1.083 53 I CB 2.150 40.250 38.000 0.168 0.000 1.245 53 I HN 0.570 nan 8.210 nan 0.000 0.434 54 S N 4.975 120.740 115.700 0.108 0.000 2.499 54 S HA 0.357 4.833 4.470 0.010 0.000 0.275 54 S C -0.077 174.580 174.600 0.095 0.000 1.257 54 S CA -0.507 57.770 58.200 0.129 0.000 1.050 54 S CB 1.090 64.317 63.200 0.046 0.000 0.937 54 S HN 0.308 nan 8.310 nan 0.000 0.490 55 V N 5.875 125.868 119.914 0.131 0.000 2.370 55 V HA 0.405 4.531 4.120 0.010 0.000 0.283 55 V C -0.274 175.868 176.094 0.080 0.000 1.023 55 V CA -0.537 61.812 62.300 0.080 0.000 0.857 55 V CB 0.911 32.772 31.823 0.064 0.000 0.985 55 V HN 0.700 nan 8.190 nan 0.000 0.443 56 L N 6.272 127.511 121.223 0.026 0.000 2.313 56 L HA 0.602 4.948 4.340 0.010 0.000 0.283 56 L C -0.712 176.159 176.870 0.001 0.000 1.013 56 L CA -0.504 54.341 54.840 0.008 0.000 0.816 56 L CB 1.743 43.779 42.059 -0.039 0.000 1.236 56 L HN 0.419 nan 8.230 nan 0.000 0.419 57 L N 4.513 125.739 121.223 0.005 0.000 2.295 57 L HA 0.434 4.780 4.340 0.010 0.000 0.281 57 L C -0.343 176.525 176.870 -0.003 0.000 1.018 57 L CA -0.789 54.046 54.840 -0.008 0.000 0.841 57 L CB 1.737 43.785 42.059 -0.018 0.000 1.218 57 L HN 0.293 nan 8.230 nan 0.000 0.424 58 V N 4.891 124.802 119.914 -0.006 0.000 2.455 58 V HA 0.232 4.358 4.120 0.010 0.000 0.273 58 V C 0.595 176.689 176.094 -0.000 0.000 1.045 58 V CA -0.201 62.097 62.300 -0.003 0.000 0.976 58 V CB 1.122 32.942 31.823 -0.005 0.000 0.993 58 V HN 0.521 nan 8.190 nan 0.000 0.475 59 L N 3.189 124.413 121.223 0.002 0.000 2.399 59 L HA 0.381 4.728 4.340 0.010 0.000 0.265 59 L C 1.651 178.524 176.870 0.005 0.000 1.089 59 L CA -0.360 54.483 54.840 0.005 0.000 0.802 59 L CB 0.836 42.900 42.059 0.008 0.000 1.180 59 L HN 0.669 nan 8.230 nan 0.000 0.454 60 E N 0.834 121.038 120.200 0.007 0.000 2.209 60 E HA -0.250 4.106 4.350 0.010 0.000 0.196 60 E C 0.866 177.469 176.600 0.006 0.000 0.993 60 E CA 1.624 58.029 56.400 0.007 0.000 0.819 60 E CB 0.220 29.926 29.700 0.009 0.000 0.745 60 E HN 0.783 nan 8.360 nan 0.000 0.477 61 D N -1.678 118.726 120.400 0.006 0.000 2.339 61 D HA 0.041 4.688 4.640 0.010 0.000 0.217 61 D C 1.222 177.525 176.300 0.004 0.000 1.050 61 D CA 0.781 54.784 54.000 0.005 0.000 0.856 61 D CB 0.377 41.181 40.800 0.006 0.000 0.922 61 D HN 0.291 nan 8.370 nan 0.000 0.518 62 G N -0.078 108.724 108.800 0.003 0.000 2.195 62 G HA2 -0.297 3.669 3.960 0.010 0.000 0.246 62 G HA3 -0.297 3.669 3.960 0.010 0.000 0.246 62 G C 0.219 175.119 174.900 0.001 0.000 0.984 62 G CA 0.085 45.186 45.100 0.001 0.000 0.633 62 G HN 0.467 nan 8.290 nan 0.000 0.525 63 Q N -0.370 119.431 119.800 0.003 0.000 2.417 63 Q HA 0.525 4.871 4.340 0.010 0.000 0.241 63 Q C -0.187 175.815 176.000 0.004 0.000 1.008 63 Q CA 0.136 55.941 55.803 0.004 0.000 0.901 63 Q CB 1.771 30.513 28.738 0.007 0.000 1.259 63 Q HN 0.260 nan 8.270 nan 0.000 0.489 64 V N 1.161 121.079 119.914 0.007 0.000 2.443 64 V HA 0.476 4.603 4.120 0.010 0.000 0.293 64 V C -0.520 175.590 176.094 0.028 0.000 1.021 64 V CA -0.791 61.514 62.300 0.008 0.000 0.848 64 V CB 1.386 33.205 31.823 -0.007 0.000 0.998 64 V HN 0.842 nan 8.190 nan 0.000 0.424 65 A N 3.632 126.470 122.820 0.031 0.000 2.327 65 A HA 0.707 5.034 4.320 0.010 0.000 0.283 65 A C -0.343 177.304 177.584 0.105 0.000 1.127 65 A CA -0.274 51.793 52.037 0.049 0.000 0.810 65 A CB 0.359 19.374 19.000 0.025 0.000 1.066 65 A HN 1.065 nan 8.150 nan 0.000 0.492 66 H N 0.776 119.828 119.070 -0.029 0.000 2.934 66 H HA 0.549 5.111 4.556 0.010 0.000 0.340 66 H C -0.331 174.970 175.328 -0.045 0.000 1.008 66 H CA -0.302 55.728 56.048 -0.031 0.000 1.317 66 H CB 1.456 31.202 29.762 -0.027 0.000 1.670 66 H HN 0.905 nan 8.280 nan 0.000 0.516 67 G N 3.027 111.839 108.800 0.020 0.000 2.533 67 G HA2 0.328 4.295 3.960 0.010 0.000 0.304 67 G HA3 0.328 4.295 3.960 0.010 0.000 0.304 67 G C -1.445 173.428 174.900 -0.045 0.000 1.263 67 G CA -0.636 44.371 45.100 -0.155 0.000 0.964 67 G HN 0.592 nan 8.290 nan 0.000 0.479 68 D N -0.320 120.009 120.400 -0.118 0.000 2.391 68 D HA 0.367 5.014 4.640 0.010 0.000 0.245 68 D C -0.173 176.143 176.300 0.027 0.000 1.069 68 D CA -0.106 53.903 54.000 0.015 0.000 0.831 68 D CB 1.637 42.452 40.800 0.026 0.000 1.204 68 D HN 0.345 nan 8.370 nan 0.000 0.503 69 C N 2.232 121.609 119.300 0.128 0.000 2.632 69 C HA 0.792 5.258 4.460 0.010 0.000 0.415 69 C C 0.707 175.811 174.990 0.191 0.000 1.332 69 C CA -0.193 58.920 59.018 0.159 0.000 1.874 69 C CB -0.802 27.107 27.740 0.282 0.000 2.596 69 C HN 0.671 nan 8.230 nan 0.000 0.590 70 A N 2.184 125.052 122.820 0.079 0.000 2.610 70 A HA 0.946 5.272 4.320 0.010 0.000 0.291 70 A C -0.883 176.616 177.584 -0.142 0.000 1.086 70 A CA 0.011 52.082 52.037 0.057 0.000 0.677 70 A CB 0.918 20.017 19.000 0.165 0.000 1.278 70 A HN 1.425 nan 8.150 nan 0.000 0.414 71 A N -0.253 122.563 122.820 -0.007 0.000 2.483 71 A HA 0.888 5.214 4.320 0.010 0.000 0.286 71 A C 0.273 177.933 177.584 0.127 0.000 1.207 71 A CA 0.009 52.047 52.037 0.003 0.000 0.764 71 A CB 0.373 19.415 19.000 0.071 0.000 1.341 71 A HN 2.325 nan 8.150 nan 0.000 0.428 72 V N -1.200 118.771 119.914 0.095 0.000 3.503 72 V HA 0.184 4.310 4.120 0.010 0.000 0.300 72 V C 1.429 177.662 176.094 0.232 0.000 1.099 72 V CA 0.837 63.203 62.300 0.109 0.000 1.117 72 V CB 0.219 32.080 31.823 0.063 0.000 1.122 72 V HN 1.083 nan 8.190 nan 0.000 0.476 73 Q N 0.480 120.347 119.800 0.112 0.000 2.061 73 Q HA -0.161 4.185 4.340 0.010 0.000 0.204 73 Q C 1.039 177.130 176.000 0.152 0.000 0.984 73 Q CA 2.058 57.917 55.803 0.093 0.000 0.846 73 Q CB -0.197 28.416 28.738 -0.209 0.000 0.902 73 Q HN 0.875 nan 8.270 nan 0.000 0.421 74 Y N 1.183 121.639 120.300 0.259 0.000 2.955 74 Y HA 0.196 4.751 4.550 0.008 0.000 0.386 74 Y C 0.310 176.318 175.900 0.179 0.000 1.069 74 Y CA -0.957 57.265 58.100 0.203 0.000 1.764 74 Y CB 0.329 38.854 38.460 0.109 0.000 1.646 74 Y HN -0.001 nan 8.280 nan 0.000 0.486 75 S N 0.529 116.422 115.700 0.322 0.000 2.552 75 S HA 0.247 4.723 4.470 0.010 0.000 0.289 75 S C 1.349 176.045 174.600 0.159 0.000 1.304 75 S CA 1.010 59.287 58.200 0.128 0.000 1.063 75 S CB 0.207 63.302 63.200 -0.176 0.000 0.848 75 S HN 0.983 nan 8.310 nan 0.000 0.499 76 G N 2.637 111.505 108.800 0.113 0.000 2.179 76 G HA2 -0.180 3.786 3.960 0.010 0.000 0.260 76 G HA3 -0.180 3.786 3.960 0.010 0.000 0.260 76 G C 0.407 175.384 174.900 0.128 0.000 0.977 76 G CA 0.311 45.492 45.100 0.135 0.000 0.641 76 G HN 1.361 nan 8.290 nan 0.000 0.533 77 A N 0.271 123.160 122.820 0.116 0.000 2.292 77 A HA 0.698 5.024 4.320 0.010 0.000 0.265 77 A C 1.453 179.039 177.584 0.004 0.000 1.133 77 A CA 0.762 52.824 52.037 0.042 0.000 0.807 77 A CB -0.206 18.811 19.000 0.029 0.000 1.102 77 A HN 1.883 nan 8.150 nan 0.000 0.502 78 G N -1.634 107.146 108.800 -0.033 0.000 2.225 78 G HA2 0.484 4.450 3.960 0.010 0.000 0.245 78 G HA3 0.484 4.450 3.960 0.010 0.000 0.245 78 G C 1.214 176.087 174.900 -0.045 0.000 1.249 78 G CA 0.594 45.669 45.100 -0.041 0.000 0.919 78 G HN 2.316 nan 8.290 nan 0.000 0.486 79 G N 1.917 110.694 108.800 -0.039 0.000 2.184 79 G HA2 -0.273 3.694 3.960 0.010 0.000 0.264 79 G HA3 -0.273 3.694 3.960 0.010 0.000 0.264 79 G C 0.597 175.464 174.900 -0.055 0.000 0.975 79 G CA 0.653 45.724 45.100 -0.048 0.000 0.642 79 G HN 0.893 nan 8.290 nan 0.000 0.536 80 R N 0.176 120.648 120.500 -0.047 0.000 2.787 80 R HA 0.498 4.845 4.340 0.010 0.000 0.271 80 R C -0.567 175.677 176.300 -0.094 0.000 0.993 80 R CA -1.047 55.012 56.100 -0.068 0.000 0.993 80 R CB 0.839 31.125 30.300 -0.024 0.000 1.155 80 R HN 0.109 nan 8.270 nan 0.000 0.486 81 D N 1.957 122.231 120.400 -0.210 0.000 2.362 81 D HA 0.080 4.727 4.640 0.010 0.000 0.238 81 D C -2.114 174.132 176.300 -0.090 0.000 1.212 81 D CA -1.178 52.634 54.000 -0.314 0.000 0.902 81 D CB 0.172 40.398 40.800 -0.957 0.000 1.180 81 D HN 0.124 nan 8.370 nan 0.000 0.445 82 P HA -0.038 nan 4.420 nan 0.000 0.269 82 P C -0.089 177.373 177.300 0.269 0.000 1.211 82 P CA -0.503 62.726 63.100 0.216 0.000 0.781 82 P CB 0.373 32.279 31.700 0.342 0.000 0.877 83 L N 3.026 124.304 121.223 0.093 0.000 2.628 83 L HA 0.019 4.366 4.340 0.010 0.000 0.274 83 L C -0.320 176.531 176.870 -0.031 0.000 1.209 83 L CA 0.401 55.141 54.840 -0.166 0.000 0.930 83 L CB -1.181 40.637 42.059 -0.402 0.000 1.183 83 L HN 0.191 nan 8.230 nan 0.000 0.492 84 F N 6.832 126.551 119.950 -0.386 0.000 2.605 84 F HA 0.335 4.866 4.527 0.007 0.000 0.352 84 F C -0.339 175.513 175.800 0.087 0.000 1.236 84 F CA -0.612 57.285 58.000 -0.171 0.000 1.267 84 F CB -0.274 38.593 39.000 -0.222 0.000 1.632 84 F HN 0.327 nan 8.300 nan 0.000 0.639 85 L N 4.901 126.070 121.223 -0.089 0.000 2.290 85 L HA 0.328 4.675 4.340 0.010 0.000 0.284 85 L C 1.538 178.256 176.870 -0.253 0.000 1.078 85 L CA -0.389 54.386 54.840 -0.108 0.000 0.815 85 L CB 1.166 43.166 42.059 -0.097 0.000 1.162 85 L HN 0.569 nan 8.230 nan 0.000 0.435 86 A N 4.493 127.161 122.820 -0.253 0.000 1.917 86 A HA -0.229 4.097 4.320 0.010 0.000 0.219 86 A C 2.177 179.660 177.584 -0.168 0.000 1.182 86 A CA 2.107 53.997 52.037 -0.246 0.000 0.633 86 A CB -0.429 18.492 19.000 -0.132 0.000 0.819 86 A HN 0.938 nan 8.150 nan 0.000 0.448 87 K N -1.043 119.272 120.400 -0.142 0.000 2.209 87 K HA -0.144 4.182 4.320 0.010 0.000 0.204 87 K C 0.682 177.163 176.600 -0.198 0.000 1.048 87 K CA 1.606 57.813 56.287 -0.133 0.000 0.940 87 K CB -0.260 32.177 32.500 -0.105 0.000 0.729 87 K HN 0.277 nan 8.250 nan 0.000 0.451 88 D N -0.184 120.032 120.400 -0.306 0.000 2.289 88 D HA 0.005 4.651 4.640 0.010 0.000 0.207 88 D C 0.994 176.841 176.300 -0.755 0.000 0.966 88 D CA 0.821 54.485 54.000 -0.560 0.000 0.868 88 D CB 0.098 40.419 40.800 -0.798 0.000 0.943 88 D HN 0.309 nan 8.370 nan 0.000 0.514 89 F N -0.357 119.483 119.950 -0.182 0.000 2.752 89 F HA 0.307 4.840 4.527 0.011 0.000 0.310 89 F C 2.047 177.809 175.800 -0.064 0.000 1.097 89 F CA -0.310 57.620 58.000 -0.116 0.000 1.238 89 F CB 0.413 39.311 39.000 -0.170 0.000 1.061 89 F HN -0.193 nan 8.300 nan 0.000 0.591 90 I N 1.484 122.067 120.570 0.022 0.000 2.208 90 I HA -0.220 3.956 4.170 0.010 0.000 0.245 90 I C -0.661 175.472 176.117 0.027 0.000 1.097 90 I CA 1.575 62.891 61.300 0.027 0.000 1.363 90 I CB -1.335 36.658 38.000 -0.010 0.000 1.051 90 I HN 0.019 nan 8.210 nan 0.000 0.413 91 P HA -0.106 nan 4.420 nan 0.000 0.218 91 P C 1.899 179.216 177.300 0.030 0.000 1.149 91 P CA 1.064 64.162 63.100 -0.003 0.000 0.817 91 P CB 0.034 31.711 31.700 -0.039 0.000 0.785 92 V N -0.379 119.571 119.914 0.060 0.000 2.307 92 V HA -0.224 3.903 4.120 0.010 0.000 0.245 92 V C 2.332 178.497 176.094 0.118 0.000 1.045 92 V CA 1.623 63.987 62.300 0.107 0.000 1.024 92 V CB -1.046 30.896 31.823 0.199 0.000 0.651 92 V HN 0.045 nan 8.190 nan 0.000 0.449 93 I N -0.119 120.529 120.570 0.130 0.000 2.179 93 I HA -0.242 3.934 4.170 0.010 0.000 0.242 93 I C 2.573 178.741 176.117 0.085 0.000 1.088 93 I CA 1.717 63.088 61.300 0.119 0.000 1.357 93 I CB -0.471 37.600 38.000 0.119 0.000 1.051 93 I HN 0.357 nan 8.210 nan 0.000 0.409 94 E N 0.853 121.091 120.200 0.063 0.000 2.077 94 E HA -0.224 4.133 4.350 0.010 0.000 0.193 94 E C 2.142 178.769 176.600 0.045 0.000 0.989 94 E CA 1.196 57.622 56.400 0.044 0.000 0.800 94 E CB 0.011 29.728 29.700 0.028 0.000 0.746 94 E HN 0.481 nan 8.360 nan 0.000 0.452 95 K N -0.042 120.386 120.400 0.047 0.000 2.166 95 K HA -0.002 4.324 4.320 0.010 0.000 0.201 95 K C 1.760 178.393 176.600 0.055 0.000 1.052 95 K CA 0.650 56.962 56.287 0.042 0.000 0.969 95 K CB 0.345 32.863 32.500 0.031 0.000 0.761 95 K HN 0.014 nan 8.250 nan 0.000 0.459 96 E N 0.145 120.389 120.200 0.073 0.000 2.413 96 E HA 0.117 4.473 4.350 0.010 0.000 0.203 96 E C 1.862 178.530 176.600 0.114 0.000 0.957 96 E CA 0.455 56.905 56.400 0.083 0.000 0.950 96 E CB 0.576 30.327 29.700 0.085 0.000 0.957 96 E HN 0.266 nan 8.360 nan 0.000 0.497 97 I N 0.594 121.244 120.570 0.135 0.000 3.300 97 I HA 0.099 4.276 4.170 0.010 0.000 0.279 97 I C 2.408 178.623 176.117 0.162 0.000 1.172 97 I CA 0.547 61.965 61.300 0.198 0.000 1.431 97 I CB -0.203 37.919 38.000 0.204 0.000 1.240 97 I HN -0.094 nan 8.210 nan 0.000 0.453 98 A N 2.307 125.185 122.820 0.097 0.000 1.892 98 A HA -0.133 4.193 4.320 0.010 0.000 0.218 98 A C -0.158 177.468 177.584 0.070 0.000 1.188 98 A CA 2.025 54.099 52.037 0.061 0.000 0.631 98 A CB -2.017 17.009 19.000 0.043 0.000 0.822 98 A HN 0.266 nan 8.150 nan 0.000 0.447 99 P HA -0.104 nan 4.420 nan 0.000 0.222 99 P C 0.945 178.302 177.300 0.094 0.000 1.147 99 P CA 1.036 64.177 63.100 0.069 0.000 0.790 99 P CB 0.048 31.783 31.700 0.058 0.000 0.780 100 K N -1.078 119.410 120.400 0.147 0.000 2.365 100 K HA 0.161 4.487 4.320 0.010 0.000 0.197 100 K C 1.802 178.562 176.600 0.267 0.000 1.042 100 K CA 0.523 56.932 56.287 0.204 0.000 0.987 100 K CB -0.545 32.108 32.500 0.256 0.000 0.779 100 K HN 0.277 nan 8.250 nan 0.000 0.484 101 L N 0.023 121.349 121.223 0.173 0.000 2.316 101 L HA 0.205 4.551 4.340 0.010 0.000 0.207 101 L C 0.792 177.687 176.870 0.042 0.000 1.070 101 L CA -0.018 54.859 54.840 0.063 0.000 0.820 101 L CB 0.097 42.104 42.059 -0.087 0.000 0.992 101 L HN -0.046 nan 8.230 nan 0.000 0.466 102 I N 0.709 121.304 120.570 0.043 0.000 2.598 102 I HA 0.053 4.229 4.170 0.010 0.000 0.284 102 I C 1.282 177.420 176.117 0.036 0.000 1.140 102 I CA 0.920 62.238 61.300 0.030 0.000 1.420 102 I CB 0.606 38.623 38.000 0.027 0.000 1.387 102 I HN 0.373 nan 8.210 nan 0.000 0.553 103 G N 4.989 113.806 108.800 0.029 0.000 2.234 103 G HA2 -0.195 3.771 3.960 0.010 0.000 0.235 103 G HA3 -0.195 3.771 3.960 0.010 0.000 0.235 103 G C 0.430 175.351 174.900 0.036 0.000 0.997 103 G CA -0.647 44.472 45.100 0.031 0.000 0.623 103 G HN 0.467 nan 8.290 nan 0.000 0.514 104 R N 1.308 121.835 120.500 0.045 0.000 2.491 104 R HA 0.413 4.759 4.340 0.010 0.000 0.283 104 R C 0.357 176.682 176.300 0.041 0.000 1.072 104 R CA -0.327 55.806 56.100 0.054 0.000 1.048 104 R CB 0.940 31.288 30.300 0.081 0.000 0.983 104 R HN 0.548 nan 8.270 nan 0.000 0.450 105 E N 1.854 122.079 120.200 0.041 0.000 2.354 105 E HA 0.125 4.481 4.350 0.010 0.000 0.269 105 E C -0.406 176.218 176.600 0.039 0.000 1.036 105 E CA -0.259 56.162 56.400 0.034 0.000 0.876 105 E CB 0.586 30.305 29.700 0.031 0.000 1.009 105 E HN 0.363 nan 8.360 nan 0.000 0.416 106 I N 4.764 125.355 120.570 0.035 0.000 2.337 106 I HA 0.139 4.315 4.170 0.010 0.000 0.291 106 I C 0.936 177.080 176.117 0.045 0.000 1.046 106 I CA 0.093 61.418 61.300 0.042 0.000 1.324 106 I CB 1.004 39.028 38.000 0.038 0.000 1.409 106 I HN 0.736 nan 8.210 nan 0.000 0.494 107 T N 2.562 117.148 114.554 0.053 0.000 2.818 107 T HA 0.327 4.683 4.350 0.010 0.000 0.177 107 T C 0.570 175.309 174.700 0.066 0.000 0.760 107 T CA -0.446 61.684 62.100 0.050 0.000 1.490 107 T CB 0.116 69.008 68.868 0.040 0.000 2.555 107 T HN 0.301 nan 8.240 nan 0.000 0.410 108 N N 0.474 119.214 118.700 0.067 0.000 2.472 108 N HA 0.416 5.162 4.740 0.010 0.000 0.289 108 N C 0.080 175.674 175.510 0.140 0.000 1.156 108 N CA -0.569 52.539 53.050 0.097 0.000 0.940 108 N CB 1.734 40.258 38.487 0.061 0.000 1.200 108 N HN 0.351 nan 8.380 nan 0.000 0.511 109 F N 1.812 121.795 119.950 0.054 0.000 2.128 109 F HA 0.011 4.544 4.527 0.010 0.000 0.295 109 F C 2.328 178.190 175.800 0.103 0.000 1.100 109 F CA 1.455 59.504 58.000 0.082 0.000 1.260 109 F CB 0.060 39.124 39.000 0.108 0.000 1.009 109 F HN 0.493 nan 8.300 nan 0.000 0.476 110 K N 0.557 120.930 120.400 -0.046 0.000 2.020 110 K HA -0.163 4.163 4.320 0.010 0.000 0.212 110 K C -0.645 175.838 176.600 -0.194 0.000 1.050 110 K CA 2.073 58.259 56.287 -0.168 0.000 0.929 110 K CB -1.347 31.111 32.500 -0.071 0.000 0.714 110 K HN 0.202 nan 8.250 nan 0.000 0.443 111 P HA -0.159 nan 4.420 nan 0.000 0.216 111 P C 1.450 178.716 177.300 -0.057 0.000 1.153 111 P CA 1.405 64.466 63.100 -0.064 0.000 0.848 111 P CB -0.080 31.603 31.700 -0.028 0.000 0.787 112 M N -0.707 118.862 119.600 -0.052 0.000 2.132 112 M HA -0.088 4.398 4.480 0.010 0.000 0.263 112 M C 1.984 178.317 176.300 0.056 0.000 1.065 112 M CA 2.002 57.334 55.300 0.054 0.000 1.122 112 M CB -0.419 32.220 32.600 0.066 0.000 1.365 112 M HN -0.121 nan 8.290 nan 0.000 0.411 113 A N 0.050 122.727 122.820 -0.237 0.000 1.930 113 A HA -0.181 4.145 4.320 0.010 0.000 0.217 113 A C 1.840 179.379 177.584 -0.075 0.000 1.175 113 A CA 1.852 53.736 52.037 -0.255 0.000 0.627 113 A CB -0.756 17.735 19.000 -0.848 0.000 0.815 113 A HN 0.651 nan 8.150 nan 0.000 0.443 114 E N -0.653 119.486 120.200 -0.102 0.000 2.106 114 E HA -0.206 4.150 4.350 0.010 0.000 0.192 114 E C 2.050 178.629 176.600 -0.034 0.000 0.984 114 E CA 1.120 57.496 56.400 -0.040 0.000 0.806 114 E CB -0.110 29.568 29.700 -0.036 0.000 0.750 114 E HN 0.826 nan 8.360 nan 0.000 0.458 115 E N 0.247 120.417 120.200 -0.050 0.000 2.051 115 E HA -0.193 4.164 4.350 0.010 0.000 0.192 115 E C 1.678 178.125 176.600 -0.255 0.000 0.991 115 E CA 1.004 57.309 56.400 -0.158 0.000 0.799 115 E CB -0.066 29.514 29.700 -0.200 0.000 0.748 115 E HN 0.196 nan 8.360 nan 0.000 0.449 116 F N 0.977 120.911 119.950 -0.028 0.000 2.259 116 F HA -0.063 4.470 4.527 0.009 0.000 0.298 116 F C 2.166 177.969 175.800 0.006 0.000 1.088 116 F CA 1.296 59.293 58.000 -0.005 0.000 1.358 116 F CB -0.168 38.832 39.000 -0.000 0.000 1.040 116 F HN 0.125 nan 8.300 nan 0.000 0.505 117 D N 0.358 120.831 120.400 0.121 0.000 2.144 117 D HA -0.155 4.491 4.640 0.010 0.000 0.199 117 D C 1.632 177.954 176.300 0.036 0.000 0.984 117 D CA 1.379 55.426 54.000 0.079 0.000 0.834 117 D CB -0.022 40.813 40.800 0.058 0.000 0.955 117 D HN 0.157 nan 8.370 nan 0.000 0.465 118 K N -0.676 119.722 120.400 -0.004 0.000 2.374 118 K HA 0.137 4.463 4.320 0.010 0.000 0.196 118 K C 0.653 177.229 176.600 -0.040 0.000 1.023 118 K CA -0.394 55.880 56.287 -0.022 0.000 1.103 118 K CB 0.275 32.755 32.500 -0.033 0.000 0.848 118 K HN 0.230 nan 8.250 nan 0.000 0.528 119 M N 2.651 122.212 119.600 -0.065 0.000 2.251 119 M HA -0.045 4.442 4.480 0.010 0.000 0.343 119 M C -0.082 176.206 176.300 -0.020 0.000 1.245 119 M CA 0.786 56.036 55.300 -0.084 0.000 1.061 119 M CB 0.498 33.028 32.600 -0.118 0.000 1.723 119 M HN 0.083 nan 8.290 nan 0.000 0.449 120 T N 2.115 116.657 114.554 -0.020 0.000 2.940 120 T HA 0.720 5.076 4.350 0.010 0.000 0.288 120 T C -0.648 174.063 174.700 0.019 0.000 1.033 120 T CA -1.023 61.082 62.100 0.008 0.000 1.033 120 T CB 1.759 70.629 68.868 0.002 0.000 1.079 120 T HN 0.494 nan 8.240 nan 0.000 0.496 121 V N 2.869 122.806 119.914 0.038 0.000 2.482 121 V HA 0.424 4.550 4.120 0.010 0.000 0.295 121 V C -0.261 175.856 176.094 0.039 0.000 1.026 121 V CA -0.979 61.347 62.300 0.044 0.000 0.856 121 V CB 0.970 32.834 31.823 0.068 0.000 1.001 121 V HN 1.057 nan 8.190 nan 0.000 0.424 122 N N 3.918 122.635 118.700 0.028 0.000 2.747 122 N HA -0.205 4.541 4.740 0.010 0.000 0.249 122 N C 1.178 176.700 175.510 0.019 0.000 1.107 122 N CA 1.581 54.645 53.050 0.023 0.000 0.707 122 N CB -1.103 37.400 38.487 0.027 0.000 1.054 122 N HN 1.579 nan 8.380 nan 0.000 0.555 123 G N -1.528 107.281 108.800 0.015 0.000 2.184 123 G HA2 -0.340 3.626 3.960 0.010 0.000 0.264 123 G HA3 -0.340 3.626 3.960 0.010 0.000 0.264 123 G C -0.031 174.877 174.900 0.014 0.000 0.975 123 G CA 0.508 45.614 45.100 0.011 0.000 0.642 123 G HN 0.526 nan 8.290 nan 0.000 0.536 124 N N 0.282 118.996 118.700 0.024 0.000 2.417 124 N HA 0.484 5.230 4.740 0.010 0.000 0.300 124 N C 0.436 175.966 175.510 0.034 0.000 1.102 124 N CA -0.645 52.422 53.050 0.029 0.000 0.886 124 N CB 0.967 39.478 38.487 0.041 0.000 1.203 124 N HN 0.282 nan 8.380 nan 0.000 0.496 125 R N 0.651 121.167 120.500 0.026 0.000 2.738 125 R HA 0.258 4.605 4.340 0.010 0.000 0.268 125 R C 0.232 176.563 176.300 0.052 0.000 1.062 125 R CA -0.300 55.816 56.100 0.027 0.000 1.158 125 R CB 0.592 30.897 30.300 0.008 0.000 1.046 125 R HN 0.394 nan 8.270 nan 0.000 0.493 126 L N 1.515 122.778 121.223 0.067 0.000 2.439 126 L HA 0.120 4.466 4.340 0.010 0.000 0.261 126 L C 1.100 178.023 176.870 0.090 0.000 1.153 126 L CA -0.429 54.477 54.840 0.110 0.000 0.808 126 L CB 0.323 42.458 42.059 0.126 0.000 1.126 126 L HN 0.464 nan 8.230 nan 0.000 0.460 127 H N 1.157 120.219 119.070 -0.012 0.000 3.064 127 H HA -0.085 4.474 4.556 0.003 0.000 0.329 127 H C 1.042 176.283 175.328 -0.146 0.000 1.020 127 H CA 0.733 56.705 56.048 -0.127 0.000 1.402 127 H CB 1.217 30.782 29.762 -0.327 0.000 1.379 127 H HN 0.832 nan 8.280 nan 0.000 0.594 128 T N 1.861 116.359 114.554 -0.093 0.000 2.685 128 T HA -0.241 4.115 4.350 0.010 0.000 0.268 128 T C 2.099 176.783 174.700 -0.026 0.000 1.034 128 T CA 1.527 63.592 62.100 -0.059 0.000 1.149 128 T CB -0.517 68.254 68.868 -0.160 0.000 0.860 128 T HN 0.578 nan 8.240 nan 0.000 0.449 129 A N 1.222 124.021 122.820 -0.034 0.000 1.972 129 A HA 0.139 4.465 4.320 0.010 0.000 0.219 129 A C 2.424 179.854 177.584 -0.256 0.000 1.169 129 A CA 1.341 53.106 52.037 -0.454 0.000 0.635 129 A CB -0.778 17.270 19.000 -1.586 0.000 0.810 129 A HN 0.631 nan 8.150 nan 0.000 0.446 130 I N -1.042 119.452 120.570 -0.126 0.000 2.202 130 I HA -0.233 3.943 4.170 0.010 0.000 0.242 130 I C 2.729 178.907 176.117 0.102 0.000 1.091 130 I CA 1.135 62.475 61.300 0.067 0.000 1.368 130 I CB -0.320 37.764 38.000 0.139 0.000 1.058 130 I HN 0.272 nan 8.210 nan 0.000 0.410 131 R N -0.376 120.187 120.500 0.104 0.000 2.105 131 R HA -0.234 4.112 4.340 0.010 0.000 0.239 131 R C 2.378 178.775 176.300 0.162 0.000 1.135 131 R CA 1.675 57.852 56.100 0.129 0.000 0.967 131 R CB -0.557 29.807 30.300 0.107 0.000 0.861 131 R HN 0.310 nan 8.270 nan 0.000 0.442 132 Y N 0.817 121.109 120.300 -0.013 0.000 2.114 132 Y HA -0.144 4.413 4.550 0.011 0.000 0.284 132 Y C 2.361 178.259 175.900 -0.004 0.000 1.143 132 Y CA 1.570 59.658 58.100 -0.020 0.000 1.135 132 Y CB -0.857 37.561 38.460 -0.071 0.000 0.980 132 Y HN 0.039 nan 8.280 nan 0.000 0.499 133 G N 0.226 109.059 108.800 0.055 0.000 2.404 133 G HA2 -0.192 3.774 3.960 0.010 0.000 0.215 133 G HA3 -0.192 3.774 3.960 0.010 0.000 0.215 133 G C 1.664 176.554 174.900 -0.017 0.000 1.174 133 G CA 1.005 46.088 45.100 -0.028 0.000 0.780 133 G HN 0.354 nan 8.290 nan 0.000 0.537 134 I N 2.288 122.875 120.570 0.028 0.000 2.179 134 I HA -0.169 4.007 4.170 0.010 0.000 0.242 134 I C 3.199 179.310 176.117 -0.010 0.000 1.088 134 I CA 2.094 63.392 61.300 -0.004 0.000 1.357 134 I CB -1.550 36.458 38.000 0.014 0.000 1.051 134 I HN 0.364 nan 8.210 nan 0.000 0.409 135 T N -1.305 113.279 114.554 0.050 0.000 2.867 135 T HA -0.206 4.150 4.350 0.010 0.000 0.268 135 T C 1.794 176.578 174.700 0.141 0.000 1.057 135 T CA 1.040 63.216 62.100 0.126 0.000 1.136 135 T CB -0.447 68.529 68.868 0.180 0.000 0.874 135 T HN 0.372 nan 8.240 nan 0.000 0.466 136 Q N 1.096 120.886 119.800 -0.016 0.000 2.061 136 Q HA -0.008 4.339 4.340 0.010 0.000 0.204 136 Q C 2.835 178.804 176.000 -0.053 0.000 0.984 136 Q CA 1.657 57.401 55.803 -0.099 0.000 0.846 136 Q CB -0.520 28.074 28.738 -0.240 0.000 0.902 136 Q HN 0.744 nan 8.270 nan 0.000 0.421 137 A N 0.692 123.491 122.820 -0.036 0.000 1.933 137 A HA -0.175 4.151 4.320 0.010 0.000 0.218 137 A C 2.021 179.611 177.584 0.010 0.000 1.175 137 A CA 1.143 53.171 52.037 -0.015 0.000 0.628 137 A CB -0.617 18.376 19.000 -0.012 0.000 0.814 137 A HN 0.320 nan 8.150 nan 0.000 0.444 138 I N -0.872 119.720 120.570 0.037 0.000 2.226 138 I HA -0.233 3.943 4.170 0.010 0.000 0.245 138 I C 2.427 178.668 176.117 0.206 0.000 1.100 138 I CA 1.168 62.524 61.300 0.093 0.000 1.374 138 I CB -0.283 37.767 38.000 0.083 0.000 1.057 138 I HN 0.391 nan 8.210 nan 0.000 0.413 139 L N 1.098 122.464 121.223 0.238 0.000 2.012 139 L HA -0.284 4.062 4.340 0.010 0.000 0.210 139 L C 2.082 178.933 176.870 -0.031 0.000 1.073 139 L CA 2.132 56.978 54.840 0.010 0.000 0.748 139 L CB -0.884 40.979 42.059 -0.325 0.000 0.891 139 L HN 0.215 nan 8.230 nan 0.000 0.431 140 D N -0.739 119.642 120.400 -0.032 0.000 2.149 140 D HA -0.166 4.481 4.640 0.010 0.000 0.198 140 D C 2.076 178.378 176.300 0.003 0.000 0.990 140 D CA 1.343 55.325 54.000 -0.029 0.000 0.839 140 D CB 0.027 40.810 40.800 -0.029 0.000 0.948 140 D HN 0.476 nan 8.370 nan 0.000 0.460 141 A N -0.215 122.619 122.820 0.023 0.000 1.898 141 A HA -0.085 4.242 4.320 0.010 0.000 0.216 141 A C 2.557 180.164 177.584 0.038 0.000 1.181 141 A CA 1.453 53.507 52.037 0.028 0.000 0.620 141 A CB -0.709 18.307 19.000 0.026 0.000 0.819 141 A HN 0.189 nan 8.150 nan 0.000 0.442 142 V N -0.017 119.935 119.914 0.064 0.000 2.343 142 V HA -0.253 3.873 4.120 0.010 0.000 0.247 142 V C 3.063 179.179 176.094 0.037 0.000 1.051 142 V CA 1.922 64.265 62.300 0.071 0.000 1.036 142 V CB -1.303 30.598 31.823 0.131 0.000 0.654 142 V HN 0.612 nan 8.190 nan 0.000 0.451 143 A N -0.164 122.664 122.820 0.013 0.000 1.883 143 A HA -0.274 4.052 4.320 0.010 0.000 0.217 143 A C 2.301 179.887 177.584 0.004 0.000 1.186 143 A CA 2.208 54.243 52.037 -0.003 0.000 0.624 143 A CB -0.487 18.497 19.000 -0.027 0.000 0.822 143 A HN 0.541 nan 8.150 nan 0.000 0.444 144 K N -1.090 119.314 120.400 0.007 0.000 2.097 144 K HA -0.079 4.247 4.320 0.010 0.000 0.205 144 K C 2.087 178.694 176.600 0.012 0.000 1.050 144 K CA 1.653 57.945 56.287 0.009 0.000 0.938 144 K CB -0.299 32.207 32.500 0.010 0.000 0.718 144 K HN 0.487 nan 8.250 nan 0.000 0.442 145 T N 0.684 115.249 114.554 0.018 0.000 2.777 145 T HA -0.071 4.285 4.350 0.010 0.000 0.266 145 T C 1.661 176.373 174.700 0.019 0.000 1.040 145 T CA 1.071 63.183 62.100 0.020 0.000 1.141 145 T CB -0.031 68.853 68.868 0.027 0.000 0.868 145 T HN 0.206 nan 8.240 nan 0.000 0.444 146 R N 0.707 121.218 120.500 0.020 0.000 2.276 146 R HA 0.079 4.425 4.340 0.010 0.000 0.203 146 R C 0.078 176.386 176.300 0.012 0.000 1.017 146 R CA 0.251 56.362 56.100 0.018 0.000 1.010 146 R CB 0.136 30.448 30.300 0.021 0.000 0.900 146 R HN 0.123 nan 8.270 nan 0.000 0.469 147 K N -0.001 120.405 120.400 0.010 0.000 3.162 147 K HA -0.120 4.206 4.320 0.010 0.000 0.268 147 K C -0.288 176.314 176.600 0.004 0.000 1.062 147 K CA 1.011 57.302 56.287 0.006 0.000 0.769 147 K CB -2.522 29.982 32.500 0.007 0.000 1.274 147 K HN 0.305 nan 8.250 nan 0.000 0.478 148 V N -4.064 115.852 119.914 0.002 0.000 3.156 148 V HA 0.727 4.853 4.120 0.010 0.000 0.310 148 V C 0.733 176.822 176.094 -0.009 0.000 1.234 148 V CA -0.418 61.881 62.300 -0.001 0.000 1.065 148 V CB 1.911 33.735 31.823 0.002 0.000 1.088 148 V HN 0.329 nan 8.190 nan 0.000 0.451 149 T N -1.496 113.050 114.554 -0.013 0.000 2.828 149 T HA 0.374 4.730 4.350 0.010 0.000 0.290 149 T C 1.036 175.713 174.700 -0.039 0.000 1.019 149 T CA -0.031 62.055 62.100 -0.024 0.000 1.031 149 T CB 0.807 69.662 68.868 -0.022 0.000 1.001 149 T HN 0.690 nan 8.240 nan 0.000 0.531 150 M N 1.108 120.672 119.600 -0.060 0.000 2.159 150 M HA -0.053 4.433 4.480 0.010 0.000 0.263 150 M C 2.803 179.043 176.300 -0.099 0.000 1.063 150 M CA 1.851 57.092 55.300 -0.099 0.000 1.110 150 M CB -0.818 31.707 32.600 -0.126 0.000 1.374 150 M HN 0.927 nan 8.290 nan 0.000 0.411 151 A N 0.476 123.255 122.820 -0.068 0.000 1.908 151 A HA -0.215 4.111 4.320 0.010 0.000 0.218 151 A C 1.906 179.474 177.584 -0.027 0.000 1.181 151 A CA 1.997 54.004 52.037 -0.049 0.000 0.627 151 A CB -0.725 18.257 19.000 -0.030 0.000 0.818 151 A HN 0.550 nan 8.150 nan 0.000 0.445 152 E N -0.548 119.641 120.200 -0.019 0.000 2.110 152 E HA -0.109 4.248 4.350 0.010 0.000 0.193 152 E C 1.986 178.590 176.600 0.007 0.000 0.988 152 E CA 1.163 57.562 56.400 -0.001 0.000 0.804 152 E CB -0.267 29.433 29.700 0.001 0.000 0.745 152 E HN 0.399 nan 8.360 nan 0.000 0.458 153 V N 1.592 121.499 119.914 -0.011 0.000 2.255 153 V HA -0.275 3.851 4.120 0.010 0.000 0.247 153 V C 2.214 178.333 176.094 0.042 0.000 1.051 153 V CA 1.365 63.667 62.300 0.004 0.000 1.018 153 V CB -0.361 31.439 31.823 -0.038 0.000 0.641 153 V HN 0.303 nan 8.190 nan 0.000 0.445 154 I N -0.254 120.314 120.570 -0.004 0.000 2.226 154 I HA -0.164 4.012 4.170 0.010 0.000 0.245 154 I C 2.621 178.847 176.117 0.182 0.000 1.100 154 I CA 1.481 62.839 61.300 0.097 0.000 1.374 154 I CB -1.356 36.601 38.000 -0.072 0.000 1.057 154 I HN 0.335 nan 8.210 nan 0.000 0.413 155 R N 1.368 121.920 120.500 0.087 0.000 2.080 155 R HA -0.211 4.136 4.340 0.010 0.000 0.236 155 R C 1.704 178.059 176.300 0.092 0.000 1.137 155 R CA 2.042 58.193 56.100 0.085 0.000 0.943 155 R CB -0.480 29.848 30.300 0.046 0.000 0.846 155 R HN 0.314 nan 8.270 nan 0.000 0.431 156 D N 0.487 120.930 120.400 0.072 0.000 2.144 156 D HA -0.131 4.515 4.640 0.010 0.000 0.199 156 D C 1.744 178.073 176.300 0.048 0.000 0.984 156 D CA 1.220 55.252 54.000 0.053 0.000 0.834 156 D CB -0.061 40.765 40.800 0.043 0.000 0.955 156 D HN 0.491 nan 8.370 nan 0.000 0.465 157 E N -1.302 118.943 120.200 0.075 0.000 2.318 157 E HA -0.041 4.316 4.350 0.010 0.000 0.193 157 E C 0.993 177.458 176.600 -0.223 0.000 0.998 157 E CA 0.452 56.829 56.400 -0.038 0.000 0.859 157 E CB 0.273 29.988 29.700 0.024 0.000 0.812 157 E HN 0.402 nan 8.360 nan 0.000 0.492 158 Y N -1.007 119.337 120.300 0.073 0.000 2.423 158 Y HA 0.231 4.787 4.550 0.010 0.000 0.257 158 Y C 0.902 176.835 175.900 0.054 0.000 1.087 158 Y CA -0.192 57.952 58.100 0.073 0.000 1.258 158 Y CB 0.926 39.436 38.460 0.084 0.000 1.237 158 Y HN -0.118 nan 8.280 nan 0.000 0.517 159 N N 0.693 119.498 118.700 0.175 0.000 2.646 159 N HA 0.191 4.937 4.740 0.010 0.000 0.296 159 N C -3.229 172.324 175.510 0.071 0.000 1.886 159 N CA -2.090 51.027 53.050 0.113 0.000 0.855 159 N CB 0.668 39.219 38.487 0.106 0.000 1.336 159 N HN -0.138 nan 8.380 nan 0.000 0.496 160 P HA 0.164 nan 4.420 nan 0.000 0.265 160 P C 0.909 178.227 177.300 0.031 0.000 1.193 160 P CA 0.963 64.085 63.100 0.037 0.000 0.765 160 P CB 0.699 32.413 31.700 0.024 0.000 0.823 161 G N 1.685 110.502 108.800 0.027 0.000 2.241 161 G HA2 -0.206 3.760 3.960 0.010 0.000 0.244 161 G HA3 -0.206 3.760 3.960 0.010 0.000 0.244 161 G C 0.400 175.314 174.900 0.022 0.000 0.998 161 G CA 0.140 45.253 45.100 0.022 0.000 0.621 161 G HN 0.892 nan 8.290 nan 0.000 0.519 162 A N 0.332 123.169 122.820 0.028 0.000 2.371 162 A HA 0.622 4.949 4.320 0.010 0.000 0.257 162 A C 0.418 178.015 177.584 0.023 0.000 1.089 162 A CA 0.194 52.247 52.037 0.026 0.000 0.794 162 A CB 0.314 19.334 19.000 0.033 0.000 1.029 162 A HN 0.490 nan 8.150 nan 0.000 0.488 163 E N 0.373 120.584 120.200 0.019 0.000 2.373 163 E HA 0.271 4.627 4.350 0.010 0.000 0.267 163 E C -0.845 175.766 176.600 0.018 0.000 1.032 163 E CA 0.203 56.613 56.400 0.017 0.000 0.889 163 E CB 0.679 30.387 29.700 0.014 0.000 0.984 163 E HN 0.519 nan 8.360 nan 0.000 0.425 164 I N 3.935 124.514 120.570 0.016 0.000 2.307 164 I HA 0.204 4.380 4.170 0.010 0.000 0.289 164 I C -0.107 176.018 176.117 0.014 0.000 1.021 164 I CA -0.511 60.798 61.300 0.015 0.000 1.224 164 I CB 0.550 38.557 38.000 0.011 0.000 1.376 164 I HN 0.355 nan 8.210 nan 0.000 0.470 165 N N 3.966 122.676 118.700 0.017 0.000 2.453 165 N HA 0.593 5.339 4.740 0.010 0.000 0.290 165 N C -0.334 175.188 175.510 0.021 0.000 1.250 165 N CA -0.622 52.439 53.050 0.018 0.000 0.815 165 N CB 1.886 40.384 38.487 0.019 0.000 1.381 165 N HN 0.564 nan 8.380 nan 0.000 0.510 166 A N 0.222 123.056 122.820 0.023 0.000 2.507 166 A HA 0.323 4.649 4.320 0.010 0.000 0.235 166 A C -0.078 177.527 177.584 0.035 0.000 1.070 166 A CA 0.044 52.098 52.037 0.028 0.000 0.768 166 A CB 0.100 19.118 19.000 0.030 0.000 1.011 166 A HN 0.350 nan 8.150 nan 0.000 0.502 167 V N 3.800 123.739 119.914 0.043 0.000 2.555 167 V HA 0.356 4.482 4.120 0.010 0.000 0.302 167 V C -2.294 173.839 176.094 0.065 0.000 1.038 167 V CA -1.597 60.735 62.300 0.053 0.000 0.887 167 V CB 1.678 33.536 31.823 0.059 0.000 0.991 167 V HN 0.807 nan 8.190 nan 0.000 0.434 168 P HA 0.040 nan 4.420 nan 0.000 0.262 168 P C -0.691 176.673 177.300 0.106 0.000 1.182 168 P CA 0.268 63.418 63.100 0.083 0.000 0.761 168 P CB 0.340 32.082 31.700 0.071 0.000 0.795 169 V N 5.265 125.250 119.914 0.118 0.000 2.394 169 V HA 0.311 4.437 4.120 0.010 0.000 0.282 169 V C -0.132 176.078 176.094 0.193 0.000 1.031 169 V CA -0.417 61.965 62.300 0.136 0.000 0.881 169 V CB 0.668 32.548 31.823 0.094 0.000 0.982 169 V HN 0.371 nan 8.190 nan 0.000 0.451 170 F N 4.942 124.896 119.950 0.007 0.000 2.420 170 F HA 0.793 5.326 4.527 0.010 0.000 0.342 170 F C 0.221 176.002 175.800 -0.032 0.000 1.113 170 F CA -1.216 56.757 58.000 -0.046 0.000 1.059 170 F CB 1.068 39.973 39.000 -0.159 0.000 1.128 170 F HN 0.552 nan 8.300 nan 0.000 0.475 171 A N 5.886 128.520 122.820 -0.310 0.000 2.355 171 A HA 0.685 5.012 4.320 0.010 0.000 0.324 171 A C -1.124 176.058 177.584 -0.670 0.000 1.117 171 A CA -0.708 51.075 52.037 -0.422 0.000 0.785 171 A CB 1.115 20.019 19.000 -0.160 0.000 1.254 171 A HN 0.803 nan 8.150 nan 0.000 0.453 172 Q N 0.542 120.010 119.800 -0.552 0.000 2.309 172 Q HA 0.419 4.765 4.340 0.010 0.000 0.264 172 Q C 0.671 176.534 176.000 -0.228 0.000 1.008 172 Q CA -0.138 55.394 55.803 -0.451 0.000 0.853 172 Q CB 1.845 30.249 28.738 -0.556 0.000 1.314 172 Q HN 0.886 nan 8.270 nan 0.000 0.448 173 S N 0.862 116.494 115.700 -0.113 0.000 2.486 173 S HA 0.238 4.714 4.470 0.010 0.000 0.220 173 S C 1.092 175.652 174.600 -0.067 0.000 1.011 173 S CA 0.271 58.434 58.200 -0.062 0.000 0.921 173 S CB -0.084 63.110 63.200 -0.011 0.000 0.785 173 S HN 1.000 nan 8.310 nan 0.000 0.517 174 G N 1.996 110.751 108.800 -0.076 0.000 2.601 174 G HA2 -0.298 3.668 3.960 0.010 0.000 0.261 174 G HA3 -0.298 3.668 3.960 0.010 0.000 0.261 174 G C 0.054 174.930 174.900 -0.039 0.000 1.289 174 G CA 0.323 45.387 45.100 -0.061 0.000 0.920 174 G HN 0.296 nan 8.290 nan 0.000 0.571 175 D N 0.232 120.607 120.400 -0.042 0.000 2.269 175 D HA 0.001 4.647 4.640 0.010 0.000 0.208 175 D C 0.998 177.262 176.300 -0.061 0.000 0.963 175 D CA 1.021 54.986 54.000 -0.059 0.000 0.864 175 D CB -0.048 40.722 40.800 -0.050 0.000 0.936 175 D HN 0.333 nan 8.370 nan 0.000 0.505 176 D N 0.321 120.704 120.400 -0.030 0.000 2.517 176 D HA 0.006 4.652 4.640 0.010 0.000 0.220 176 D C 1.237 177.515 176.300 -0.037 0.000 1.158 176 D CA -0.165 53.833 54.000 -0.004 0.000 0.992 176 D CB 0.015 40.837 40.800 0.037 0.000 1.058 176 D HN 0.229 nan 8.370 nan 0.000 0.516 177 R N 1.507 121.907 120.500 -0.167 0.000 2.310 177 R HA 0.023 4.369 4.340 0.010 0.000 0.202 177 R C 0.339 176.458 176.300 -0.302 0.000 0.933 177 R CA 0.445 56.391 56.100 -0.258 0.000 1.054 177 R CB -0.089 29.901 30.300 -0.515 0.000 0.985 177 R HN 0.313 nan 8.270 nan 0.000 0.489 178 Y N 0.544 120.836 120.300 -0.013 0.000 2.351 178 Y HA 0.158 4.714 4.550 0.011 0.000 0.291 178 Y C 1.739 177.743 175.900 0.173 0.000 1.153 178 Y CA 0.280 58.346 58.100 -0.056 0.000 1.193 178 Y CB 0.128 38.412 38.460 -0.294 0.000 1.187 178 Y HN -0.019 nan 8.280 nan 0.000 0.524 179 D N -0.006 120.546 120.400 0.254 0.000 2.144 179 D HA -0.135 4.511 4.640 0.010 0.000 0.200 179 D C 1.449 177.832 176.300 0.139 0.000 0.978 179 D CA 1.016 55.126 54.000 0.183 0.000 0.833 179 D CB -0.318 40.552 40.800 0.116 0.000 0.961 179 D HN 0.248 nan 8.370 nan 0.000 0.470 180 N N 0.236 118.999 118.700 0.106 0.000 2.309 180 N HA -0.080 4.666 4.740 0.010 0.000 0.182 180 N C 1.923 177.482 175.510 0.081 0.000 1.018 180 N CA 0.168 53.257 53.050 0.065 0.000 0.876 180 N CB -0.127 38.374 38.487 0.023 0.000 0.972 180 N HN 0.065 nan 8.380 nan 0.000 0.434 181 V N 1.748 121.749 119.914 0.145 0.000 2.343 181 V HA -0.215 3.911 4.120 0.010 0.000 0.247 181 V C 1.576 177.738 176.094 0.113 0.000 1.051 181 V CA 1.649 64.041 62.300 0.153 0.000 1.036 181 V CB -0.387 31.608 31.823 0.287 0.000 0.654 181 V HN 0.199 nan 8.190 nan 0.000 0.451 182 D N -0.092 120.397 120.400 0.148 0.000 2.117 182 D HA -0.153 4.493 4.640 0.010 0.000 0.197 182 D C 2.229 178.555 176.300 0.043 0.000 0.987 182 D CA 1.158 55.212 54.000 0.090 0.000 0.829 182 D CB -0.236 40.631 40.800 0.111 0.000 0.961 182 D HN 0.440 nan 8.370 nan 0.000 0.460 183 K N 0.097 120.523 120.400 0.044 0.000 2.032 183 K HA -0.101 4.226 4.320 0.010 0.000 0.209 183 K C 2.280 178.879 176.600 -0.001 0.000 1.048 183 K CA 1.095 57.391 56.287 0.015 0.000 0.927 183 K CB -0.201 32.307 32.500 0.013 0.000 0.712 183 K HN 0.171 nan 8.250 nan 0.000 0.441 184 M N 0.404 120.011 119.600 0.013 0.000 2.159 184 M HA -0.152 4.334 4.480 0.010 0.000 0.263 184 M C 2.176 178.484 176.300 0.014 0.000 1.063 184 M CA 1.524 56.834 55.300 0.017 0.000 1.110 184 M CB -0.326 32.295 32.600 0.035 0.000 1.374 184 M HN 0.111 nan 8.290 nan 0.000 0.411 185 I N 0.044 120.622 120.570 0.012 0.000 2.252 185 I HA -0.264 3.913 4.170 0.010 0.000 0.245 185 I C 2.197 178.201 176.117 -0.189 0.000 1.102 185 I CA 1.285 62.567 61.300 -0.029 0.000 1.385 185 I CB -0.296 37.718 38.000 0.023 0.000 1.064 185 I HN 0.221 nan 8.210 nan 0.000 0.414 186 I N 0.501 121.008 120.570 -0.104 0.000 2.286 186 I HA -0.241 3.935 4.170 0.010 0.000 0.248 186 I C 1.955 177.991 176.117 -0.135 0.000 1.115 186 I CA 1.230 62.462 61.300 -0.113 0.000 1.392 186 I CB -0.212 37.755 38.000 -0.056 0.000 1.065 186 I HN 0.062 nan 8.210 nan 0.000 0.418 187 K N 0.837 121.175 120.400 -0.104 0.000 2.487 187 K HA 0.030 4.356 4.320 0.010 0.000 0.192 187 K C 0.047 176.578 176.600 -0.114 0.000 1.027 187 K CA 0.227 56.463 56.287 -0.085 0.000 1.054 187 K CB -0.387 32.087 32.500 -0.043 0.000 0.824 187 K HN 0.201 nan 8.250 nan 0.000 0.510 188 E N -0.792 119.270 120.200 -0.229 0.000 2.416 188 E HA -0.226 4.130 4.350 0.010 0.000 0.249 188 E C -0.700 175.930 176.600 0.051 0.000 1.124 188 E CA 0.288 56.494 56.400 -0.324 0.000 0.732 188 E CB -1.793 27.738 29.700 -0.283 0.000 1.286 188 E HN 0.387 nan 8.360 nan 0.000 0.394 189 A N 0.838 123.732 122.820 0.122 0.000 2.540 189 A HA -0.004 4.322 4.320 0.010 0.000 0.239 189 A C 1.120 178.871 177.584 0.279 0.000 1.061 189 A CA 0.380 52.518 52.037 0.168 0.000 0.758 189 A CB 0.336 19.414 19.000 0.130 0.000 0.991 189 A HN 0.255 nan 8.150 nan 0.000 0.502 190 D N 0.501 121.026 120.400 0.209 0.000 2.234 190 D HA 0.053 4.700 4.640 0.010 0.000 0.205 190 D C 0.107 176.498 176.300 0.151 0.000 0.962 190 D CA 1.273 55.383 54.000 0.182 0.000 0.855 190 D CB 0.128 41.010 40.800 0.136 0.000 0.951 190 D HN 0.256 nan 8.370 nan 0.000 0.500 191 V N 1.511 121.542 119.914 0.195 0.000 2.760 191 V HA 0.544 4.671 4.120 0.010 0.000 0.309 191 V C -0.194 176.122 176.094 0.370 0.000 1.077 191 V CA -0.918 61.519 62.300 0.228 0.000 0.910 191 V CB 2.626 34.536 31.823 0.145 0.000 1.008 191 V HN 0.086 nan 8.190 nan 0.000 0.424 192 L N 2.173 123.600 121.223 0.339 0.000 2.940 192 L HA 0.784 5.131 4.340 0.010 0.000 0.270 192 L C -2.932 174.080 176.870 0.237 0.000 1.030 192 L CA -1.226 53.787 54.840 0.288 0.000 0.928 192 L CB 2.952 45.080 42.059 0.116 0.000 1.506 192 L HN 0.405 nan 8.230 nan 0.000 0.405 193 P HA 0.182 nan 4.420 nan 0.000 0.331 193 P C 0.424 177.832 177.300 0.181 0.000 1.438 193 P CA 0.382 63.567 63.100 0.142 0.000 1.357 193 P CB 0.248 32.009 31.700 0.102 0.000 1.643 194 H N 1.379 120.572 119.070 0.206 0.000 4.836 194 H HA -0.379 4.183 4.556 0.010 0.000 0.067 194 H C 1.137 176.553 175.328 0.146 0.000 0.594 194 H CA 3.403 59.580 56.048 0.214 0.000 0.978 194 H CB -1.712 28.077 29.762 0.046 0.000 0.436 194 H HN 0.257 nan 8.280 nan 0.000 0.790 195 A N 0.322 123.253 122.820 0.185 0.000 3.396 195 A HA -0.221 4.105 4.320 0.010 0.000 0.267 195 A C 1.297 178.864 177.584 -0.029 0.000 1.139 195 A CA 1.681 53.704 52.037 -0.022 0.000 1.115 195 A CB -2.194 16.698 19.000 -0.180 0.000 1.133 195 A HN 1.592 nan 8.150 nan 0.000 0.920 196 L N -1.253 120.087 121.223 0.195 0.000 3.879 196 L HA -0.176 4.170 4.340 0.010 0.000 0.481 196 L C -0.098 176.745 176.870 -0.046 0.000 1.232 196 L CA 1.053 55.986 54.840 0.155 0.000 0.736 196 L CB -1.044 41.055 42.059 0.067 0.000 1.511 196 L HN 0.573 nan 8.230 nan 0.000 0.830 197 I N 2.404 122.989 120.570 0.024 0.000 2.227 197 I HA 0.135 4.311 4.170 0.010 0.000 0.297 197 I C 1.269 177.395 176.117 0.015 0.000 1.173 197 I CA 0.378 61.668 61.300 -0.017 0.000 1.356 197 I CB -0.450 37.559 38.000 0.015 0.000 1.485 197 I HN 0.644 nan 8.210 nan 0.000 0.604 198 N N 3.648 122.246 118.700 -0.169 0.000 2.234 198 N HA 0.038 4.784 4.740 0.010 0.000 0.227 198 N C -0.143 175.298 175.510 -0.114 0.000 1.151 198 N CA -0.227 52.664 53.050 -0.265 0.000 0.865 198 N CB 0.434 38.493 38.487 -0.713 0.000 1.066 198 N HN 0.427 nan 8.380 nan 0.000 0.515 199 N N 0.182 118.845 118.700 -0.062 0.000 2.336 199 N HA 0.162 4.908 4.740 0.010 0.000 0.290 199 N C 0.209 175.702 175.510 -0.029 0.000 1.058 199 N CA -0.336 52.688 53.050 -0.043 0.000 0.865 199 N CB 2.472 40.928 38.487 -0.051 0.000 1.581 199 N HN -0.237 nan 8.380 nan 0.000 0.480 200 V N 3.700 123.597 119.914 -0.028 0.000 2.244 200 V HA -0.175 3.951 4.120 0.010 0.000 0.244 200 V C 2.092 178.156 176.094 -0.050 0.000 1.042 200 V CA 1.806 64.079 62.300 -0.045 0.000 1.006 200 V CB -0.370 31.415 31.823 -0.064 0.000 0.641 200 V HN 0.698 nan 8.190 nan 0.000 0.446 201 E N -0.135 120.038 120.200 -0.044 0.000 2.077 201 E HA -0.221 4.135 4.350 0.010 0.000 0.193 201 E C 2.111 178.694 176.600 -0.029 0.000 0.989 201 E CA 1.526 57.903 56.400 -0.039 0.000 0.800 201 E CB -0.110 29.570 29.700 -0.033 0.000 0.746 201 E HN 0.707 nan 8.360 nan 0.000 0.452 202 E N 0.067 120.249 120.200 -0.029 0.000 2.340 202 E HA 0.003 4.359 4.350 0.010 0.000 0.194 202 E C 1.516 178.101 176.600 -0.026 0.000 0.996 202 E CA 0.475 56.859 56.400 -0.025 0.000 0.869 202 E CB 0.311 29.993 29.700 -0.030 0.000 0.835 202 E HN 0.077 nan 8.360 nan 0.000 0.493 203 K N -0.254 120.126 120.400 -0.032 0.000 2.443 203 K HA 0.123 4.449 4.320 0.010 0.000 0.200 203 K C 1.740 178.333 176.600 -0.012 0.000 1.278 203 K CA -0.082 56.179 56.287 -0.043 0.000 0.925 203 K CB 0.342 32.797 32.500 -0.075 0.000 1.225 203 K HN -0.097 nan 8.250 nan 0.000 0.514 204 L N 0.629 121.853 121.223 0.001 0.000 2.127 204 L HA 0.218 4.564 4.340 0.010 0.000 0.203 204 L C 0.371 177.258 176.870 0.029 0.000 1.080 204 L CA 1.695 56.556 54.840 0.035 0.000 0.768 204 L CB 0.191 42.255 42.059 0.009 0.000 0.924 204 L HN 0.287 nan 8.230 nan 0.000 0.444 205 G N -1.814 106.978 108.800 -0.013 0.000 2.712 205 G HA2 -0.194 3.773 3.960 0.010 0.000 0.686 205 G HA3 -0.194 3.773 3.960 0.010 0.000 0.686 205 G C 0.303 175.144 174.900 -0.097 0.000 1.181 205 G CA -0.219 44.866 45.100 -0.026 0.000 0.762 205 G HN 0.208 nan 8.290 nan 0.000 0.641 206 L N 0.032 121.196 121.223 -0.099 0.000 2.081 206 L HA -0.082 4.265 4.340 0.010 0.000 0.212 206 L C 2.309 179.015 176.870 -0.273 0.000 1.080 206 L CA 2.193 56.939 54.840 -0.156 0.000 0.754 206 L CB -0.243 41.752 42.059 -0.107 0.000 0.893 206 L HN 0.627 nan 8.230 nan 0.000 0.433 207 K N -0.857 119.412 120.400 -0.218 0.000 2.618 207 K HA 0.323 4.649 4.320 0.010 0.000 0.207 207 K C 0.771 177.256 176.600 -0.191 0.000 1.058 207 K CA 0.489 56.613 56.287 -0.271 0.000 1.086 207 K CB 0.986 33.445 32.500 -0.068 0.000 0.827 207 K HN 0.182 nan 8.250 nan 0.000 0.481 208 G N 2.008 110.668 108.800 -0.234 0.000 2.148 208 G HA2 -0.340 3.627 3.960 0.010 0.000 0.254 208 G HA3 -0.340 3.627 3.960 0.010 0.000 0.254 208 G C 0.958 175.992 174.900 0.223 0.000 0.981 208 G CA 0.711 45.731 45.100 -0.132 0.000 0.670 208 G HN 0.515 nan 8.290 nan 0.000 0.528 209 E N 0.728 121.012 120.200 0.139 0.000 2.150 209 E HA -0.091 4.265 4.350 0.010 0.000 0.193 209 E C 2.020 178.724 176.600 0.173 0.000 0.985 209 E CA 1.314 57.816 56.400 0.171 0.000 0.814 209 E CB -0.308 29.456 29.700 0.107 0.000 0.752 209 E HN 0.577 nan 8.360 nan 0.000 0.466 210 K N 0.306 120.791 120.400 0.140 0.000 2.062 210 K HA -0.031 4.295 4.320 0.010 0.000 0.205 210 K C 2.284 179.006 176.600 0.202 0.000 1.051 210 K CA 0.943 57.315 56.287 0.141 0.000 0.941 210 K CB -0.197 32.354 32.500 0.086 0.000 0.719 210 K HN 0.046 nan 8.250 nan 0.000 0.440 211 L N 1.472 122.831 121.223 0.227 0.000 2.141 211 L HA -0.099 4.248 4.340 0.010 0.000 0.209 211 L C 1.945 179.006 176.870 0.318 0.000 1.094 211 L CA 1.235 56.244 54.840 0.282 0.000 0.763 211 L CB -0.408 41.835 42.059 0.307 0.000 0.908 211 L HN 0.078 nan 8.230 nan 0.000 0.437 212 L N -0.498 120.908 121.223 0.305 0.000 2.046 212 L HA -0.139 4.207 4.340 0.010 0.000 0.208 212 L C 2.424 179.427 176.870 0.221 0.000 1.077 212 L CA 1.719 56.698 54.840 0.233 0.000 0.747 212 L CB -0.833 41.365 42.059 0.232 0.000 0.896 212 L HN 0.293 nan 8.230 nan 0.000 0.432 213 E N -1.151 119.188 120.200 0.233 0.000 2.110 213 E HA -0.272 4.084 4.350 0.010 0.000 0.193 213 E C 2.121 178.906 176.600 0.308 0.000 0.988 213 E CA 1.487 58.028 56.400 0.234 0.000 0.804 213 E CB -0.475 29.349 29.700 0.207 0.000 0.745 213 E HN 0.645 nan 8.360 nan 0.000 0.458 214 Y N 1.434 121.859 120.300 0.209 0.000 2.181 214 Y HA -0.230 4.327 4.550 0.011 0.000 0.288 214 Y C 2.278 178.342 175.900 0.274 0.000 1.146 214 Y CA 1.196 59.437 58.100 0.235 0.000 1.164 214 Y CB -0.305 38.218 38.460 0.105 0.000 0.982 214 Y HN -0.203 nan 8.280 nan 0.000 0.515 215 V N 0.745 120.787 119.914 0.213 0.000 2.332 215 V HA -0.345 3.781 4.120 0.010 0.000 0.248 215 V C 2.247 178.439 176.094 0.164 0.000 1.055 215 V CA 2.390 64.788 62.300 0.164 0.000 1.038 215 V CB -0.594 31.374 31.823 0.241 0.000 0.651 215 V HN 0.364 nan 8.190 nan 0.000 0.450 216 K N -1.310 119.192 120.400 0.170 0.000 2.026 216 K HA -0.249 4.077 4.320 0.010 0.000 0.208 216 K C 1.951 178.621 176.600 0.116 0.000 1.048 216 K CA 1.995 58.371 56.287 0.149 0.000 0.929 216 K CB -0.362 32.227 32.500 0.148 0.000 0.713 216 K HN 0.609 nan 8.250 nan 0.000 0.439 217 W N 1.892 123.180 121.300 -0.020 0.000 2.335 217 W HA -0.250 4.416 4.660 0.011 0.000 0.311 217 W C 1.821 178.258 176.519 -0.138 0.000 1.213 217 W CA 1.256 58.573 57.345 -0.047 0.000 1.274 217 W CB -0.383 29.082 29.460 0.008 0.000 1.148 217 W HN 0.036 nan 8.180 nan 0.000 0.498 218 L N 1.640 122.673 121.223 -0.317 0.000 2.017 218 L HA -0.121 4.225 4.340 0.010 0.000 0.208 218 L C 2.775 179.380 176.870 -0.442 0.000 1.073 218 L CA 2.515 56.973 54.840 -0.636 0.000 0.745 218 L CB -1.299 40.303 42.059 -0.761 0.000 0.894 218 L HN 0.125 nan 8.230 nan 0.000 0.432 219 R N -0.550 119.921 120.500 -0.048 0.000 2.096 219 R HA -0.205 4.141 4.340 0.010 0.000 0.240 219 R C 1.844 178.172 176.300 0.047 0.000 1.139 219 R CA 2.178 58.416 56.100 0.229 0.000 0.952 219 R CB -0.475 30.032 30.300 0.346 0.000 0.854 219 R HN 0.423 nan 8.270 nan 0.000 0.436 220 D N -0.280 120.062 120.400 -0.098 0.000 2.178 220 D HA -0.127 4.519 4.640 0.010 0.000 0.202 220 D C 1.994 178.145 176.300 -0.250 0.000 0.974 220 D CA 0.895 54.818 54.000 -0.127 0.000 0.841 220 D CB -0.173 40.551 40.800 -0.127 0.000 0.953 220 D HN 0.126 nan 8.370 nan 0.000 0.478 221 R N 0.637 120.818 120.500 -0.532 0.000 2.075 221 R HA 0.015 4.361 4.340 0.010 0.000 0.232 221 R C 2.271 178.394 176.300 -0.295 0.000 1.126 221 R CA 0.759 56.518 56.100 -0.568 0.000 0.963 221 R CB -0.604 29.030 30.300 -1.111 0.000 0.858 221 R HN 0.154 nan 8.270 nan 0.000 0.435 222 I N -0.115 120.293 120.570 -0.270 0.000 2.163 222 I HA -0.304 3.872 4.170 0.010 0.000 0.243 222 I C 2.092 178.223 176.117 0.024 0.000 1.085 222 I CA 1.489 62.719 61.300 -0.117 0.000 1.347 222 I CB -0.261 37.566 38.000 -0.289 0.000 1.044 222 I HN 0.167 nan 8.210 nan 0.000 0.408 223 I N 0.431 121.034 120.570 0.056 0.000 2.286 223 I HA -0.300 3.876 4.170 0.010 0.000 0.248 223 I C 2.632 178.772 176.117 0.040 0.000 1.115 223 I CA 1.332 62.693 61.300 0.101 0.000 1.392 223 I CB -0.329 37.736 38.000 0.109 0.000 1.065 223 I HN 0.202 nan 8.210 nan 0.000 0.418 224 K N 1.173 121.565 120.400 -0.013 0.000 2.057 224 K HA -0.113 4.213 4.320 0.010 0.000 0.206 224 K C 1.963 178.560 176.600 -0.005 0.000 1.050 224 K CA 1.291 57.568 56.287 -0.017 0.000 0.935 224 K CB 0.099 32.569 32.500 -0.050 0.000 0.715 224 K HN 0.307 nan 8.250 nan 0.000 0.439 225 L N 1.458 122.673 121.223 -0.012 0.000 2.477 225 L HA 0.103 4.449 4.340 0.010 0.000 0.220 225 L C 0.730 177.608 176.870 0.013 0.000 1.106 225 L CA -0.232 54.605 54.840 -0.004 0.000 0.851 225 L CB -0.240 41.808 42.059 -0.018 0.000 0.994 225 L HN 0.166 nan 8.230 nan 0.000 0.462 226 R N 0.266 120.800 120.500 0.058 0.000 2.585 226 R HA 0.074 4.420 4.340 0.010 0.000 0.275 226 R C 0.731 177.052 176.300 0.036 0.000 1.018 226 R CA -0.260 55.889 56.100 0.083 0.000 1.072 226 R CB 0.735 31.194 30.300 0.265 0.000 0.953 226 R HN -0.208 nan 8.270 nan 0.000 0.419 227 V N 2.321 122.225 119.914 -0.017 0.000 2.591 227 V HA -0.117 4.009 4.120 0.010 0.000 0.249 227 V C 1.124 177.226 176.094 0.014 0.000 1.053 227 V CA 1.548 63.839 62.300 -0.015 0.000 1.068 227 V CB -0.788 31.005 31.823 -0.050 0.000 0.689 227 V HN 0.872 nan 8.190 nan 0.000 0.462 228 R N -0.184 120.340 120.500 0.040 0.000 2.670 228 R HA 0.413 4.759 4.340 0.010 0.000 0.289 228 R C 0.517 176.885 176.300 0.113 0.000 0.965 228 R CA -0.552 55.588 56.100 0.066 0.000 0.899 228 R CB 1.686 32.020 30.300 0.058 0.000 1.173 228 R HN 0.047 nan 8.270 nan 0.000 0.456 229 E N 0.590 120.840 120.200 0.083 0.000 2.160 229 E HA -0.203 4.153 4.350 0.010 0.000 0.195 229 E C 0.396 177.053 176.600 0.095 0.000 0.991 229 E CA 1.794 58.242 56.400 0.081 0.000 0.810 229 E CB 0.199 29.926 29.700 0.045 0.000 0.742 229 E HN 0.723 nan 8.360 nan 0.000 0.466 230 D N -0.559 119.899 120.400 0.097 0.000 2.328 230 D HA -0.148 4.498 4.640 0.010 0.000 0.226 230 D C 0.014 176.402 176.300 0.146 0.000 1.066 230 D CA -0.214 53.840 54.000 0.090 0.000 0.861 230 D CB -0.631 40.207 40.800 0.063 0.000 0.912 230 D HN 0.119 nan 8.370 nan 0.000 0.521 231 Y N 2.111 122.452 120.300 0.069 0.000 2.587 231 Y HA 0.379 4.935 4.550 0.010 0.000 0.344 231 Y C -0.512 175.483 175.900 0.159 0.000 1.061 231 Y CA -1.363 56.788 58.100 0.084 0.000 1.370 231 Y CB 0.316 38.811 38.460 0.059 0.000 1.163 231 Y HN 0.089 nan 8.280 nan 0.000 0.527 232 A N 9.506 132.209 122.820 -0.194 0.000 3.030 232 A HA 0.455 4.781 4.320 0.010 0.000 0.335 232 A C -2.690 174.825 177.584 -0.114 0.000 1.089 232 A CA -1.269 50.751 52.037 -0.029 0.000 0.807 232 A CB -0.201 18.832 19.000 0.055 0.000 1.099 232 A HN 0.594 nan 8.150 nan 0.000 0.474 233 P HA 0.495 nan 4.420 nan 0.000 0.277 233 P C -0.339 176.984 177.300 0.039 0.000 1.271 233 P CA -0.311 62.681 63.100 -0.181 0.000 0.795 233 P CB 0.990 32.529 31.700 -0.270 0.000 1.101 234 I N 0.227 120.863 120.570 0.109 0.000 2.385 234 I HA 0.215 4.392 4.170 0.010 0.000 0.294 234 I C 0.300 176.603 176.117 0.311 0.000 0.988 234 I CA -0.783 60.624 61.300 0.178 0.000 1.265 234 I CB 0.379 38.470 38.000 0.153 0.000 1.388 234 I HN 0.078 nan 8.210 nan 0.000 0.480 235 F N 4.741 124.696 119.950 0.009 0.000 2.412 235 F HA 0.277 4.811 4.527 0.011 0.000 0.348 235 F C 0.486 176.310 175.800 0.040 0.000 1.102 235 F CA -0.323 57.688 58.000 0.018 0.000 1.196 235 F CB 0.145 39.143 39.000 -0.004 0.000 1.144 235 F HN 0.391 nan 8.300 nan 0.000 0.541 236 H N 4.674 123.824 119.070 0.134 0.000 3.172 236 H HA 0.498 5.060 4.556 0.010 0.000 0.322 236 H C -1.469 173.913 175.328 0.090 0.000 1.003 236 H CA -0.728 55.305 56.048 -0.025 0.000 1.466 236 H CB 0.576 30.106 29.762 -0.387 0.000 1.673 236 H HN 0.580 nan 8.280 nan 0.000 0.512 237 I N 3.879 124.617 120.570 0.279 0.000 2.465 237 I HA 0.132 4.309 4.170 0.010 0.000 0.291 237 I C -0.267 175.898 176.117 0.081 0.000 1.014 237 I CA -0.765 60.646 61.300 0.186 0.000 1.093 237 I CB 1.968 40.064 38.000 0.161 0.000 1.267 237 I HN 0.428 nan 8.210 nan 0.000 0.431 238 D N 5.609 125.951 120.400 -0.096 0.000 2.317 238 D HA 0.220 4.866 4.640 0.010 0.000 0.234 238 D C 0.542 176.860 176.300 0.030 0.000 1.112 238 D CA -0.238 53.655 54.000 -0.180 0.000 0.840 238 D CB 1.929 42.344 40.800 -0.641 0.000 1.078 238 D HN 0.358 nan 8.370 nan 0.000 0.486 239 V N 2.404 122.366 119.914 0.080 0.000 3.542 239 V HA 0.185 4.311 4.120 0.010 0.000 0.296 239 V C 0.308 176.569 176.094 0.277 0.000 1.364 239 V CA -0.304 62.112 62.300 0.193 0.000 1.118 239 V CB -1.472 30.452 31.823 0.167 0.000 0.972 239 V HN 0.561 nan 8.190 nan 0.000 0.430 240 Y N 1.716 122.051 120.300 0.059 0.000 3.396 240 Y HA -0.101 4.454 4.550 0.009 0.000 0.214 240 Y C 1.738 177.685 175.900 0.078 0.000 1.203 240 Y CA 1.218 59.361 58.100 0.072 0.000 1.401 240 Y CB -1.735 36.762 38.460 0.061 0.000 1.409 240 Y HN 0.854 nan 8.280 nan 0.000 0.594 241 G N -1.520 107.374 108.800 0.157 0.000 2.155 241 G HA2 -0.399 3.567 3.960 0.010 0.000 0.257 241 G HA3 -0.399 3.567 3.960 0.010 0.000 0.257 241 G C 1.008 175.991 174.900 0.139 0.000 0.983 241 G CA 1.153 46.343 45.100 0.150 0.000 0.676 241 G HN 1.050 nan 8.290 nan 0.000 0.528 242 T N -1.706 112.933 114.554 0.142 0.000 2.951 242 T HA 0.214 4.570 4.350 0.010 0.000 0.268 242 T C 2.329 177.076 174.700 0.078 0.000 1.073 242 T CA 1.175 63.331 62.100 0.093 0.000 1.134 242 T CB -0.069 68.846 68.868 0.078 0.000 0.884 242 T HN 0.389 nan 8.240 nan 0.000 0.479 243 I N 1.773 122.434 120.570 0.150 0.000 2.252 243 I HA -0.003 4.173 4.170 0.010 0.000 0.245 243 I C 2.999 179.266 176.117 0.250 0.000 1.102 243 I CA 1.265 62.707 61.300 0.236 0.000 1.385 243 I CB -0.771 37.422 38.000 0.321 0.000 1.064 243 I HN 0.437 nan 8.210 nan 0.000 0.414 244 G N 0.529 109.436 108.800 0.179 0.000 2.446 244 G HA2 -0.263 3.703 3.960 0.010 0.000 0.217 244 G HA3 -0.263 3.703 3.960 0.010 0.000 0.217 244 G C 1.852 176.815 174.900 0.105 0.000 1.168 244 G CA 0.873 46.064 45.100 0.151 0.000 0.771 244 G HN 0.491 nan 8.290 nan 0.000 0.551 245 A N 1.150 124.010 122.820 0.065 0.000 1.873 245 A HA 0.302 4.629 4.320 0.010 0.000 0.215 245 A C 2.806 180.350 177.584 -0.067 0.000 1.186 245 A CA 2.238 54.283 52.037 0.013 0.000 0.616 245 A CB -0.807 18.199 19.000 0.010 0.000 0.823 245 A HN 0.832 nan 8.150 nan 0.000 0.442 246 A N -1.796 120.927 122.820 -0.161 0.000 2.015 246 A HA 0.118 4.444 4.320 0.010 0.000 0.219 246 A C 1.365 178.579 177.584 -0.616 0.000 1.163 246 A CA 1.137 52.895 52.037 -0.466 0.000 0.646 246 A CB -0.510 18.041 19.000 -0.748 0.000 0.806 246 A HN 0.514 nan 8.150 nan 0.000 0.448 247 F N -0.189 119.735 119.950 -0.043 0.000 2.735 247 F HA 0.195 4.728 4.527 0.010 0.000 0.304 247 F C -0.087 175.711 175.800 -0.004 0.000 1.119 247 F CA -0.418 57.565 58.000 -0.028 0.000 1.280 247 F CB 0.481 39.464 39.000 -0.027 0.000 0.994 247 F HN 0.128 nan 8.300 nan 0.000 0.520 248 D N 0.002 120.463 120.400 0.102 0.000 2.811 248 D HA -0.193 4.453 4.640 0.010 0.000 0.231 248 D C 0.732 177.084 176.300 0.086 0.000 1.157 248 D CA 0.964 55.009 54.000 0.074 0.000 0.716 248 D CB -1.553 39.280 40.800 0.056 0.000 1.077 248 D HN 0.258 nan 8.370 nan 0.000 0.428 249 V N -1.870 118.110 119.914 0.111 0.000 4.112 249 V HA -0.344 3.782 4.120 0.010 0.000 0.233 249 V C 0.592 176.733 176.094 0.077 0.000 0.458 249 V CA 1.637 63.994 62.300 0.094 0.000 0.909 249 V CB -1.977 29.887 31.823 0.068 0.000 0.963 249 V HN 0.567 nan 8.190 nan 0.000 1.260 250 D N 0.109 120.566 120.400 0.095 0.000 2.339 250 D HA 0.373 5.020 4.640 0.010 0.000 0.256 250 D C 1.238 177.561 176.300 0.037 0.000 1.214 250 D CA -0.443 53.595 54.000 0.063 0.000 0.877 250 D CB 0.550 41.395 40.800 0.075 0.000 1.111 250 D HN 0.120 nan 8.370 nan 0.000 0.478 251 I N 4.214 124.797 120.570 0.021 0.000 2.127 251 I HA -0.245 3.932 4.170 0.010 0.000 0.241 251 I C 2.220 178.330 176.117 -0.012 0.000 1.075 251 I CA 1.421 62.725 61.300 0.008 0.000 1.334 251 I CB -0.915 37.086 38.000 0.003 0.000 1.040 251 I HN 0.656 nan 8.210 nan 0.000 0.405 252 K N 1.137 121.529 120.400 -0.013 0.000 2.032 252 K HA -0.178 4.148 4.320 0.010 0.000 0.209 252 K C 2.185 178.748 176.600 -0.062 0.000 1.048 252 K CA 1.791 58.062 56.287 -0.026 0.000 0.927 252 K CB -0.041 32.451 32.500 -0.014 0.000 0.712 252 K HN 0.251 nan 8.250 nan 0.000 0.441 253 A N 1.130 123.905 122.820 -0.075 0.000 1.930 253 A HA -0.127 4.199 4.320 0.010 0.000 0.217 253 A C 2.142 179.473 177.584 -0.423 0.000 1.175 253 A CA 1.541 53.461 52.037 -0.195 0.000 0.627 253 A CB -0.409 18.540 19.000 -0.085 0.000 0.815 253 A HN 0.359 nan 8.150 nan 0.000 0.443 254 M N -0.668 118.783 119.600 -0.248 0.000 2.132 254 M HA -0.130 4.356 4.480 0.010 0.000 0.263 254 M C 2.570 178.812 176.300 -0.096 0.000 1.065 254 M CA 1.409 56.600 55.300 -0.181 0.000 1.122 254 M CB -0.427 32.177 32.600 0.006 0.000 1.365 254 M HN 0.487 nan 8.290 nan 0.000 0.411 255 A N 0.425 123.202 122.820 -0.071 0.000 1.902 255 A HA -0.187 4.140 4.320 0.010 0.000 0.217 255 A C 1.701 179.244 177.584 -0.068 0.000 1.181 255 A CA 1.960 53.968 52.037 -0.048 0.000 0.623 255 A CB -0.720 18.261 19.000 -0.031 0.000 0.818 255 A HN 0.379 nan 8.150 nan 0.000 0.443 256 D N -1.620 118.727 120.400 -0.089 0.000 2.123 256 D HA -0.165 4.481 4.640 0.010 0.000 0.196 256 D C 1.694 177.957 176.300 -0.061 0.000 0.992 256 D CA 1.630 55.586 54.000 -0.073 0.000 0.833 256 D CB -0.453 40.301 40.800 -0.076 0.000 0.954 256 D HN 0.585 nan 8.370 nan 0.000 0.455 257 Y N 1.236 121.377 120.300 -0.266 0.000 2.200 257 Y HA -0.084 4.472 4.550 0.010 0.000 0.290 257 Y C 2.181 178.032 175.900 -0.082 0.000 1.137 257 Y CA 1.046 59.020 58.100 -0.209 0.000 1.163 257 Y CB -0.431 37.779 38.460 -0.416 0.000 0.988 257 Y HN -0.092 nan 8.280 nan 0.000 0.518 258 I N 0.222 120.676 120.570 -0.193 0.000 2.394 258 I HA -0.320 3.856 4.170 0.010 0.000 0.251 258 I C 2.569 178.561 176.117 -0.209 0.000 1.136 258 I CA 1.681 62.840 61.300 -0.235 0.000 1.425 258 I CB -0.449 37.502 38.000 -0.082 0.000 1.079 258 I HN 0.334 nan 8.210 nan 0.000 0.425 259 Q N 0.739 120.452 119.800 -0.144 0.000 2.124 259 Q HA -0.240 4.106 4.340 0.010 0.000 0.202 259 Q C 2.224 178.151 176.000 -0.122 0.000 0.977 259 Q CA 2.571 58.307 55.803 -0.111 0.000 0.850 259 Q CB -0.079 28.615 28.738 -0.073 0.000 0.901 259 Q HN 0.622 nan 8.270 nan 0.000 0.429 260 T N -1.168 113.299 114.554 -0.145 0.000 2.821 260 T HA -0.110 4.246 4.350 0.010 0.000 0.267 260 T C 1.905 176.513 174.700 -0.153 0.000 1.046 260 T CA 1.089 63.119 62.100 -0.117 0.000 1.139 260 T CB -0.412 68.418 68.868 -0.063 0.000 0.871 260 T HN 0.297 nan 8.240 nan 0.000 0.454 261 L N 0.953 122.008 121.223 -0.279 0.000 2.046 261 L HA -0.008 4.338 4.340 0.010 0.000 0.208 261 L C 3.374 180.174 176.870 -0.115 0.000 1.077 261 L CA 1.413 56.126 54.840 -0.212 0.000 0.747 261 L CB -0.838 41.040 42.059 -0.302 0.000 0.896 261 L HN 0.423 nan 8.230 nan 0.000 0.432 262 A N -0.287 122.451 122.820 -0.138 0.000 1.898 262 A HA -0.168 4.158 4.320 0.010 0.000 0.216 262 A C 2.166 179.688 177.584 -0.104 0.000 1.181 262 A CA 1.260 53.219 52.037 -0.130 0.000 0.620 262 A CB -0.315 18.602 19.000 -0.138 0.000 0.819 262 A HN 0.417 nan 8.150 nan 0.000 0.442 263 E N 0.116 120.266 120.200 -0.084 0.000 2.077 263 E HA -0.172 4.185 4.350 0.010 0.000 0.193 263 E C 2.273 178.846 176.600 -0.045 0.000 0.989 263 E CA 1.201 57.564 56.400 -0.063 0.000 0.800 263 E CB -0.439 29.232 29.700 -0.048 0.000 0.746 263 E HN 0.596 nan 8.360 nan 0.000 0.452 264 A N 1.516 124.321 122.820 -0.026 0.000 2.019 264 A HA -0.006 4.320 4.320 0.010 0.000 0.219 264 A C 2.366 179.972 177.584 0.038 0.000 1.164 264 A CA 1.560 53.607 52.037 0.017 0.000 0.644 264 A CB -0.343 18.685 19.000 0.046 0.000 0.805 264 A HN 0.267 nan 8.150 nan 0.000 0.449 265 A N -0.190 122.626 122.820 -0.006 0.000 2.016 265 A HA 0.084 4.410 4.320 0.010 0.000 0.217 265 A C 1.139 178.644 177.584 -0.132 0.000 1.162 265 A CA 0.320 52.317 52.037 -0.067 0.000 0.662 265 A CB -0.253 18.593 19.000 -0.257 0.000 0.812 265 A HN 0.493 nan 8.150 nan 0.000 0.450 266 K N 0.788 121.103 120.400 -0.142 0.000 2.543 266 K HA 0.002 4.328 4.320 0.010 0.000 0.279 266 K C -1.899 174.549 176.600 -0.253 0.000 1.001 266 K CA -0.092 56.076 56.287 -0.199 0.000 1.088 266 K CB 0.420 32.835 32.500 -0.141 0.000 0.863 266 K HN 0.236 nan 8.250 nan 0.000 0.488 267 P HA 0.031 nan 4.420 nan 0.000 0.256 267 P C -0.771 176.141 177.300 -0.646 0.000 1.384 267 P CA 0.182 62.956 63.100 -0.543 0.000 0.879 267 P CB 0.185 31.542 31.700 -0.572 0.000 1.403 268 F N -0.145 119.612 119.950 -0.320 0.000 2.425 268 F HA 0.380 4.913 4.527 0.011 0.000 0.331 268 F C 1.338 176.877 175.800 -0.434 0.000 1.085 268 F CA -1.128 56.606 58.000 -0.445 0.000 1.028 268 F CB 0.615 39.126 39.000 -0.815 0.000 1.177 268 F HN -0.106 nan 8.300 nan 0.000 0.487 269 H N 2.253 121.199 119.070 -0.207 0.000 2.582 269 H HA 0.494 5.056 4.556 0.010 0.000 0.345 269 H C -1.286 173.925 175.328 -0.195 0.000 1.104 269 H CA -0.445 55.491 56.048 -0.187 0.000 1.390 269 H CB 1.125 30.815 29.762 -0.120 0.000 1.461 269 H HN 0.528 nan 8.280 nan 0.000 0.551 270 L N 5.020 125.833 121.223 -0.683 0.000 2.341 270 L HA 0.505 4.851 4.340 0.010 0.000 0.278 270 L C -1.030 175.521 176.870 -0.532 0.000 1.005 270 L CA -0.398 54.189 54.840 -0.423 0.000 0.818 270 L CB 1.243 43.152 42.059 -0.251 0.000 1.259 270 L HN 0.732 nan 8.230 nan 0.000 0.418 271 R N 6.073 126.391 120.500 -0.303 0.000 2.494 271 R HA 0.633 4.979 4.340 0.010 0.000 0.305 271 R C -1.231 174.916 176.300 -0.254 0.000 0.959 271 R CA -0.863 55.043 56.100 -0.323 0.000 0.864 271 R CB 1.873 31.927 30.300 -0.411 0.000 1.159 271 R HN 0.478 nan 8.270 nan 0.000 0.446 272 I N 2.542 122.990 120.570 -0.204 0.000 2.355 272 I HA 0.204 4.380 4.170 0.010 0.000 0.288 272 I C 0.210 176.254 176.117 -0.122 0.000 0.999 272 I CA -0.479 60.757 61.300 -0.107 0.000 1.163 272 I CB 1.633 39.618 38.000 -0.025 0.000 1.316 272 I HN 0.654 nan 8.210 nan 0.000 0.454 273 E N 4.626 124.757 120.200 -0.115 0.000 2.283 273 E HA 0.435 4.791 4.350 0.010 0.000 0.278 273 E C 0.691 177.284 176.600 -0.013 0.000 1.027 273 E CA -0.286 56.082 56.400 -0.053 0.000 0.843 273 E CB 1.001 30.744 29.700 0.072 0.000 1.062 273 E HN 0.839 nan 8.360 nan 0.000 0.401 274 G N 5.970 114.779 108.800 0.015 0.000 2.371 274 G HA2 -0.171 3.796 3.960 0.010 0.000 0.299 274 G HA3 -0.171 3.796 3.960 0.010 0.000 0.299 274 G C -1.409 173.535 174.900 0.074 0.000 1.014 274 G CA 0.034 45.154 45.100 0.034 0.000 1.097 274 G HN 0.622 nan 8.290 nan 0.000 0.512 275 P HA -0.113 nan 4.420 nan 0.000 0.215 275 P C 1.131 178.516 177.300 0.142 0.000 1.157 275 P CA 1.919 65.094 63.100 0.125 0.000 0.874 275 P CB -0.002 31.769 31.700 0.118 0.000 0.790 276 M N -1.158 118.526 119.600 0.140 0.000 2.716 276 M HA 0.641 5.127 4.480 0.010 0.000 0.307 276 M C -1.631 174.775 176.300 0.176 0.000 1.223 276 M CA -0.736 54.653 55.300 0.147 0.000 0.871 276 M CB 1.846 34.525 32.600 0.130 0.000 1.739 276 M HN -0.337 nan 8.290 nan 0.000 0.475 277 D N 2.145 122.662 120.400 0.195 0.000 2.336 277 D HA 0.525 5.171 4.640 0.010 0.000 0.248 277 D C -0.828 175.650 176.300 0.296 0.000 1.326 277 D CA -0.247 53.922 54.000 0.281 0.000 0.973 277 D CB 1.081 42.015 40.800 0.225 0.000 1.255 277 D HN 0.672 nan 8.370 nan 0.000 0.558 278 V N 1.343 121.432 119.914 0.291 0.000 3.842 278 V HA 0.591 4.717 4.120 0.010 0.000 0.281 278 V C 1.238 177.441 176.094 0.182 0.000 1.228 278 V CA -0.245 62.150 62.300 0.158 0.000 0.897 278 V CB 0.706 32.552 31.823 0.038 0.000 1.257 278 V HN 0.331 nan 8.190 nan 0.000 0.451 279 E N 0.544 120.751 120.200 0.011 0.000 2.385 279 E HA 0.126 4.482 4.350 0.010 0.000 0.194 279 E C -0.494 175.961 176.600 -0.241 0.000 1.013 279 E CA 1.013 57.436 56.400 0.038 0.000 0.866 279 E CB 0.176 29.891 29.700 0.024 0.000 0.832 279 E HN 0.967 nan 8.360 nan 0.000 0.500 280 D N -2.502 117.438 120.400 -0.766 0.000 2.677 280 D HA 0.117 4.763 4.640 0.010 0.000 0.298 280 D C 0.344 175.720 176.300 -1.540 0.000 1.250 280 D CA -0.808 52.420 54.000 -1.287 0.000 0.888 280 D CB 0.600 41.104 40.800 -0.494 0.000 1.397 280 D HN -0.261 nan 8.370 nan 0.000 0.461 281 R N -0.885 119.020 120.500 -0.992 0.000 2.075 281 R HA -0.171 4.175 4.340 0.010 0.000 0.232 281 R C 1.813 178.041 176.300 -0.120 0.000 1.126 281 R CA 1.707 57.626 56.100 -0.302 0.000 0.963 281 R CB -0.110 30.265 30.300 0.125 0.000 0.858 281 R HN 0.543 nan 8.270 nan 0.000 0.435 282 Q N 0.956 120.676 119.800 -0.134 0.000 2.050 282 Q HA -0.138 4.208 4.340 0.010 0.000 0.202 282 Q C 1.608 177.546 176.000 -0.103 0.000 0.980 282 Q CA 1.925 57.721 55.803 -0.011 0.000 0.840 282 Q CB 0.068 28.785 28.738 -0.034 0.000 0.898 282 Q HN 0.200 nan 8.270 nan 0.000 0.424 283 K N -0.533 119.757 120.400 -0.183 0.000 2.211 283 K HA -0.166 4.160 4.320 0.010 0.000 0.203 283 K C 2.087 178.595 176.600 -0.153 0.000 1.050 283 K CA 1.144 57.336 56.287 -0.158 0.000 0.945 283 K CB 0.040 32.448 32.500 -0.153 0.000 0.732 283 K HN 0.193 nan 8.250 nan 0.000 0.451 284 Q N 0.984 120.658 119.800 -0.211 0.000 2.083 284 Q HA -0.104 4.242 4.340 0.010 0.000 0.198 284 Q C 1.996 177.956 176.000 -0.068 0.000 0.969 284 Q CA 1.339 57.107 55.803 -0.059 0.000 0.838 284 Q CB -0.067 28.689 28.738 0.031 0.000 0.900 284 Q HN 0.148 nan 8.270 nan 0.000 0.436 285 M N 0.262 119.690 119.600 -0.288 0.000 2.117 285 M HA -0.175 4.311 4.480 0.010 0.000 0.262 285 M C 1.338 177.427 176.300 -0.351 0.000 1.065 285 M CA 1.919 56.832 55.300 -0.644 0.000 1.114 285 M CB -0.406 31.654 32.600 -0.901 0.000 1.361 285 M HN 0.312 nan 8.290 nan 0.000 0.408 286 E N 0.052 120.118 120.200 -0.222 0.000 2.072 286 E HA -0.115 4.241 4.350 0.010 0.000 0.191 286 E C 2.010 178.549 176.600 -0.102 0.000 0.985 286 E CA 1.289 57.597 56.400 -0.154 0.000 0.801 286 E CB -0.160 29.475 29.700 -0.108 0.000 0.750 286 E HN 0.660 nan 8.360 nan 0.000 0.452 287 A N 1.062 123.842 122.820 -0.068 0.000 1.930 287 A HA -0.144 4.183 4.320 0.010 0.000 0.217 287 A C 2.141 179.723 177.584 -0.005 0.000 1.175 287 A CA 1.036 53.062 52.037 -0.019 0.000 0.627 287 A CB -0.224 18.784 19.000 0.013 0.000 0.815 287 A HN 0.105 nan 8.150 nan 0.000 0.443 288 M N -0.686 118.914 119.600 0.001 0.000 2.132 288 M HA -0.105 4.381 4.480 0.010 0.000 0.263 288 M C 2.287 178.568 176.300 -0.031 0.000 1.065 288 M CA 1.748 57.067 55.300 0.031 0.000 1.122 288 M CB -1.106 31.561 32.600 0.111 0.000 1.365 288 M HN 0.603 nan 8.290 nan 0.000 0.411 289 R N 0.554 120.997 120.500 -0.095 0.000 2.073 289 R HA -0.178 4.168 4.340 0.010 0.000 0.234 289 R C 1.392 177.642 176.300 -0.083 0.000 1.134 289 R CA 1.953 57.981 56.100 -0.119 0.000 0.952 289 R CB -0.130 30.069 30.300 -0.168 0.000 0.850 289 R HN 0.274 nan 8.270 nan 0.000 0.433 290 D N 0.637 120.999 120.400 -0.064 0.000 2.183 290 D HA -0.128 4.518 4.640 0.010 0.000 0.203 290 D C 1.817 178.105 176.300 -0.021 0.000 0.969 290 D CA 0.590 54.565 54.000 -0.042 0.000 0.842 290 D CB -0.140 40.639 40.800 -0.036 0.000 0.957 290 D HN 0.192 nan 8.370 nan 0.000 0.484 291 L N 1.070 122.289 121.223 -0.007 0.000 2.056 291 L HA -0.046 4.300 4.340 0.010 0.000 0.207 291 L C 2.294 179.180 176.870 0.025 0.000 1.078 291 L CA 1.512 56.361 54.840 0.015 0.000 0.749 291 L CB -0.401 41.680 42.059 0.036 0.000 0.901 291 L HN -0.165 nan 8.230 nan 0.000 0.433 292 R N -0.240 120.264 120.500 0.007 0.000 2.083 292 R HA -0.173 4.174 4.340 0.010 0.000 0.237 292 R C 2.155 178.453 176.300 -0.004 0.000 1.137 292 R CA 1.659 57.758 56.100 -0.002 0.000 0.951 292 R CB -0.548 29.626 30.300 -0.211 0.000 0.851 292 R HN 0.454 nan 8.270 nan 0.000 0.434 293 A N 0.600 123.399 122.820 -0.035 0.000 1.908 293 A HA -0.236 4.091 4.320 0.010 0.000 0.218 293 A C 2.043 179.624 177.584 -0.005 0.000 1.181 293 A CA 1.870 53.891 52.037 -0.027 0.000 0.627 293 A CB -0.606 18.371 19.000 -0.039 0.000 0.818 293 A HN 0.572 nan 8.150 nan 0.000 0.445 294 E N 0.135 120.334 120.200 -0.001 0.000 2.047 294 E HA -0.102 4.254 4.350 0.010 0.000 0.191 294 E C 1.848 178.454 176.600 0.011 0.000 0.987 294 E CA 1.275 57.676 56.400 0.001 0.000 0.799 294 E CB -0.418 29.281 29.700 -0.003 0.000 0.752 294 E HN 0.571 nan 8.360 nan 0.000 0.449 295 L N 0.627 121.868 121.223 0.029 0.000 2.017 295 L HA -0.193 4.153 4.340 0.010 0.000 0.208 295 L C 2.054 178.950 176.870 0.043 0.000 1.073 295 L CA 1.565 56.426 54.840 0.034 0.000 0.745 295 L CB -0.471 41.625 42.059 0.062 0.000 0.894 295 L HN 0.161 nan 8.230 nan 0.000 0.432 296 D N 0.020 120.463 120.400 0.072 0.000 2.144 296 D HA -0.131 4.516 4.640 0.010 0.000 0.199 296 D C 2.153 178.470 176.300 0.028 0.000 0.984 296 D CA 1.436 55.477 54.000 0.068 0.000 0.834 296 D CB -0.419 40.426 40.800 0.074 0.000 0.955 296 D HN 0.341 nan 8.370 nan 0.000 0.465 297 G N 0.668 109.477 108.800 0.015 0.000 2.432 297 G HA2 -0.257 3.709 3.960 0.010 0.000 0.219 297 G HA3 -0.257 3.709 3.960 0.010 0.000 0.219 297 G C 1.507 176.407 174.900 -0.000 0.000 1.135 297 G CA 0.275 45.377 45.100 0.003 0.000 0.767 297 G HN 0.254 nan 8.290 nan 0.000 0.550 298 R N -0.037 120.463 120.500 0.000 0.000 2.300 298 R HA 0.200 4.546 4.340 0.010 0.000 0.199 298 R C 1.638 177.933 176.300 -0.008 0.000 0.920 298 R CA 0.529 56.625 56.100 -0.007 0.000 1.046 298 R CB 0.197 30.490 30.300 -0.011 0.000 0.984 298 R HN 0.370 nan 8.270 nan 0.000 0.493 299 G N 1.473 110.272 108.800 -0.002 0.000 2.147 299 G HA2 -0.246 3.720 3.960 0.010 0.000 0.244 299 G HA3 -0.246 3.720 3.960 0.010 0.000 0.244 299 G C 0.119 175.011 174.900 -0.012 0.000 1.005 299 G CA 0.062 45.159 45.100 -0.005 0.000 0.713 299 G HN 0.147 nan 8.290 nan 0.000 0.515 300 V N 1.003 120.909 119.914 -0.014 0.000 2.427 300 V HA 0.301 4.427 4.120 0.010 0.000 0.268 300 V C 0.688 176.761 176.094 -0.036 0.000 1.046 300 V CA 0.091 62.372 62.300 -0.031 0.000 0.970 300 V CB 1.552 33.352 31.823 -0.038 0.000 1.001 300 V HN 0.332 nan 8.190 nan 0.000 0.476 301 D N 4.733 125.112 120.400 -0.034 0.000 2.713 301 D HA 0.459 5.106 4.640 0.010 0.000 0.229 301 D C 0.120 176.397 176.300 -0.037 0.000 1.136 301 D CA 0.172 54.167 54.000 -0.007 0.000 1.010 301 D CB 0.195 41.008 40.800 0.022 0.000 1.084 301 D HN 0.708 nan 8.370 nan 0.000 0.495 302 A N 2.111 124.840 122.820 -0.152 0.000 2.401 302 A HA 0.673 4.999 4.320 0.010 0.000 0.310 302 A C -0.298 177.050 177.584 -0.392 0.000 1.075 302 A CA -0.773 51.087 52.037 -0.295 0.000 0.746 302 A CB 1.476 20.345 19.000 -0.218 0.000 1.277 302 A HN 0.314 nan 8.150 nan 0.000 0.425 303 E N 0.696 120.635 120.200 -0.435 0.000 2.227 303 E HA 0.591 4.947 4.350 0.010 0.000 0.268 303 E C -1.234 175.268 176.600 -0.164 0.000 0.907 303 E CA -0.571 55.530 56.400 -0.499 0.000 0.786 303 E CB 2.065 31.590 29.700 -0.291 0.000 1.191 303 E HN 0.578 nan 8.360 nan 0.000 0.411 304 L N 1.807 123.132 121.223 0.171 0.000 2.322 304 L HA 0.529 4.875 4.340 0.010 0.000 0.279 304 L C -0.663 176.266 176.870 0.099 0.000 1.036 304 L CA -1.095 53.824 54.840 0.132 0.000 0.807 304 L CB 1.381 43.549 42.059 0.183 0.000 1.226 304 L HN 0.209 nan 8.230 nan 0.000 0.433 305 V N 2.004 121.922 119.914 0.006 0.000 2.409 305 V HA 0.537 4.663 4.120 0.010 0.000 0.291 305 V C 0.425 176.558 176.094 0.064 0.000 1.020 305 V CA -0.671 61.638 62.300 0.014 0.000 0.848 305 V CB 1.509 33.267 31.823 -0.107 0.000 0.990 305 V HN 0.892 nan 8.190 nan 0.000 0.430 306 A N 2.999 125.868 122.820 0.082 0.000 2.371 306 A HA 0.574 4.900 4.320 0.010 0.000 0.257 306 A C 0.421 177.996 177.584 -0.016 0.000 1.089 306 A CA 0.337 52.395 52.037 0.036 0.000 0.794 306 A CB 0.669 19.647 19.000 -0.036 0.000 1.029 306 A HN 0.938 nan 8.150 nan 0.000 0.488 307 D N 0.038 120.413 120.400 -0.042 0.000 2.757 307 D HA 0.050 4.696 4.640 0.010 0.000 0.142 307 D C -0.285 175.965 176.300 -0.083 0.000 1.491 307 D CA 0.137 54.101 54.000 -0.060 0.000 1.531 307 D CB -0.512 40.282 40.800 -0.011 0.000 1.709 307 D HN 0.465 nan 8.370 nan 0.000 0.246 308 E N 0.193 120.381 120.200 -0.020 0.000 2.465 308 E HA 0.200 4.557 4.350 0.010 0.000 0.260 308 E C -0.362 176.320 176.600 0.137 0.000 0.980 308 E CA 0.814 57.191 56.400 -0.038 0.000 0.927 308 E CB -0.082 29.623 29.700 0.009 0.000 0.934 308 E HN 0.414 nan 8.360 nan 0.000 0.459 309 W N -0.353 120.956 121.300 0.015 0.000 1.628 309 W HA -0.319 4.349 4.660 0.013 0.000 0.245 309 W C 0.195 176.701 176.519 -0.021 0.000 0.995 309 W CA 0.243 57.634 57.345 0.076 0.000 0.424 309 W CB -1.625 27.983 29.460 0.248 0.000 2.004 309 W HN 0.528 nan 8.180 nan 0.000 1.271 310 C N 2.447 121.665 119.300 -0.138 0.000 2.242 310 C HA 0.455 4.921 4.460 0.010 0.000 0.317 310 C C 1.096 175.975 174.990 -0.185 0.000 1.087 310 C CA -0.149 58.625 59.018 -0.406 0.000 1.535 310 C CB -0.948 26.176 27.740 -1.026 0.000 1.893 310 C HN 0.277 nan 8.230 nan 0.000 0.426 311 N N 1.270 119.927 118.700 -0.072 0.000 2.742 311 N HA 0.102 4.848 4.740 0.010 0.000 0.233 311 N C 0.868 176.346 175.510 -0.053 0.000 1.033 311 N CA 0.816 53.825 53.050 -0.069 0.000 0.993 311 N CB -0.148 38.307 38.487 -0.053 0.000 1.544 311 N HN 0.736 nan 8.380 nan 0.000 0.459 312 T N -1.137 113.404 114.554 -0.021 0.000 2.824 312 T HA 0.361 4.717 4.350 0.010 0.000 0.277 312 T C 1.695 176.388 174.700 -0.012 0.000 0.975 312 T CA -0.582 61.505 62.100 -0.020 0.000 0.966 312 T CB 1.132 69.994 68.868 -0.010 0.000 1.054 312 T HN -0.190 nan 8.240 nan 0.000 0.533 313 V N 1.219 121.122 119.914 -0.017 0.000 2.392 313 V HA -0.140 3.987 4.120 0.010 0.000 0.249 313 V C 2.750 178.825 176.094 -0.033 0.000 1.059 313 V CA 2.162 64.448 62.300 -0.024 0.000 1.051 313 V CB -1.170 30.639 31.823 -0.024 0.000 0.658 313 V HN 0.885 nan 8.190 nan 0.000 0.455 314 E N 0.106 120.295 120.200 -0.019 0.000 2.077 314 E HA -0.199 4.158 4.350 0.010 0.000 0.193 314 E C 1.967 178.612 176.600 0.075 0.000 0.989 314 E CA 1.469 57.864 56.400 -0.009 0.000 0.800 314 E CB -0.307 29.383 29.700 -0.017 0.000 0.746 314 E HN 0.593 nan 8.360 nan 0.000 0.452 315 D N -0.187 120.277 120.400 0.107 0.000 2.117 315 D HA -0.117 4.529 4.640 0.010 0.000 0.197 315 D C 2.020 178.505 176.300 0.307 0.000 0.987 315 D CA 0.828 54.980 54.000 0.253 0.000 0.829 315 D CB -0.338 40.561 40.800 0.166 0.000 0.961 315 D HN 0.032 nan 8.370 nan 0.000 0.460 316 V N 1.228 121.217 119.914 0.126 0.000 2.332 316 V HA -0.264 3.862 4.120 0.010 0.000 0.248 316 V C 2.354 178.552 176.094 0.174 0.000 1.055 316 V CA 1.658 64.028 62.300 0.117 0.000 1.038 316 V CB -0.370 31.483 31.823 0.050 0.000 0.651 316 V HN 0.190 nan 8.190 nan 0.000 0.450 317 K N -0.942 119.484 120.400 0.042 0.000 2.057 317 K HA -0.186 4.141 4.320 0.010 0.000 0.207 317 K C 2.100 178.831 176.600 0.218 0.000 1.049 317 K CA 1.797 58.047 56.287 -0.062 0.000 0.931 317 K CB -0.367 31.888 32.500 -0.408 0.000 0.714 317 K HN 0.416 nan 8.250 nan 0.000 0.440 318 F N 1.082 121.098 119.950 0.110 0.000 2.069 318 F HA -0.213 4.321 4.527 0.011 0.000 0.298 318 F C 1.802 177.683 175.800 0.135 0.000 1.113 318 F CA 1.438 59.508 58.000 0.116 0.000 1.214 318 F CB -0.424 38.653 39.000 0.129 0.000 0.978 318 F HN -0.117 nan 8.300 nan 0.000 0.474 319 F N 0.473 120.438 119.950 0.026 0.000 2.134 319 F HA -0.192 4.341 4.527 0.011 0.000 0.299 319 F C 2.595 178.366 175.800 -0.048 0.000 1.097 319 F CA 1.944 59.897 58.000 -0.078 0.000 1.264 319 F CB -1.423 37.598 39.000 0.035 0.000 1.001 319 F HN -0.095 nan 8.300 nan 0.000 0.479 320 T N -0.706 113.993 114.554 0.241 0.000 2.708 320 T HA -0.184 4.172 4.350 0.010 0.000 0.266 320 T C 1.460 176.229 174.700 0.115 0.000 1.037 320 T CA 1.700 63.917 62.100 0.195 0.000 1.146 320 T CB -0.384 68.684 68.868 0.334 0.000 0.865 320 T HN 0.126 nan 8.240 nan 0.000 0.435 321 D N 1.175 121.656 120.400 0.134 0.000 2.218 321 D HA -0.030 4.616 4.640 0.010 0.000 0.204 321 D C 1.588 177.856 176.300 -0.052 0.000 0.976 321 D CA 0.781 54.824 54.000 0.072 0.000 0.853 321 D CB -0.215 40.650 40.800 0.109 0.000 0.939 321 D HN 0.339 nan 8.370 nan 0.000 0.481 322 N N 0.323 118.927 118.700 -0.160 0.000 2.214 322 N HA 0.031 4.778 4.740 0.010 0.000 0.214 322 N C -0.360 175.038 175.510 -0.187 0.000 1.132 322 N CA -0.010 52.899 53.050 -0.235 0.000 0.856 322 N CB 0.712 38.920 38.487 -0.465 0.000 1.020 322 N HN 0.116 nan 8.380 nan 0.000 0.509 323 K N 0.401 120.730 120.400 -0.118 0.000 3.148 323 K HA -0.190 4.136 4.320 0.010 0.000 0.267 323 K C -0.307 176.216 176.600 -0.128 0.000 0.996 323 K CA 0.384 56.608 56.287 -0.105 0.000 0.737 323 K CB -1.510 30.923 32.500 -0.112 0.000 1.308 323 K HN 0.209 nan 8.250 nan 0.000 0.470 324 A N 1.405 124.165 122.820 -0.100 0.000 3.015 324 A HA 0.566 4.892 4.320 0.010 0.000 0.293 324 A C 0.965 178.601 177.584 0.086 0.000 1.572 324 A CA 0.547 52.537 52.037 -0.079 0.000 1.274 324 A CB 0.008 18.831 19.000 -0.295 0.000 1.156 324 A HN 0.903 nan 8.150 nan 0.000 0.562 325 G N 0.514 109.296 108.800 -0.029 0.000 2.603 325 G HA2 -0.073 3.893 3.960 0.010 0.000 0.686 325 G HA3 -0.073 3.893 3.960 0.010 0.000 0.686 325 G C -0.151 174.668 174.900 -0.135 0.000 1.286 325 G CA -0.050 45.044 45.100 -0.010 0.000 0.871 325 G HN 0.745 nan 8.290 nan 0.000 0.568 326 H N -0.521 118.573 119.070 0.041 0.000 2.582 326 H HA 0.525 5.087 4.556 0.010 0.000 0.269 326 H C 1.206 176.560 175.328 0.043 0.000 0.962 326 H CA 1.210 57.278 56.048 0.033 0.000 1.230 326 H CB 0.552 30.326 29.762 0.020 0.000 1.445 326 H HN 0.641 nan 8.280 nan 0.000 0.528 327 M N 0.702 120.396 119.600 0.157 0.000 2.421 327 M HA 0.443 4.929 4.480 0.010 0.000 0.287 327 M C -1.997 174.381 176.300 0.131 0.000 1.183 327 M CA -0.837 54.541 55.300 0.131 0.000 0.916 327 M CB 2.062 34.722 32.600 0.100 0.000 1.701 327 M HN -0.203 nan 8.290 nan 0.000 0.470 328 V N 3.533 123.525 119.914 0.130 0.000 2.513 328 V HA 0.363 4.489 4.120 0.010 0.000 0.299 328 V C -0.443 175.708 176.094 0.095 0.000 1.035 328 V CA -0.587 61.765 62.300 0.087 0.000 0.889 328 V CB 1.808 33.674 31.823 0.073 0.000 0.988 328 V HN 0.885 nan 8.190 nan 0.000 0.440 329 Q N 3.986 123.805 119.800 0.031 0.000 2.314 329 Q HA 0.453 4.800 4.340 0.010 0.000 0.257 329 Q C -0.932 174.964 176.000 -0.173 0.000 0.975 329 Q CA -0.313 55.413 55.803 -0.128 0.000 0.933 329 Q CB 0.771 29.432 28.738 -0.129 0.000 1.195 329 Q HN 0.696 nan 8.270 nan 0.000 0.426 330 I N 5.101 125.550 120.570 -0.202 0.000 2.301 330 I HA 0.160 4.337 4.170 0.010 0.000 0.292 330 I C -0.098 175.913 176.117 -0.177 0.000 1.046 330 I CA -0.283 60.938 61.300 -0.132 0.000 1.282 330 I CB 0.797 38.759 38.000 -0.064 0.000 1.409 330 I HN 0.411 nan 8.210 nan 0.000 0.484 331 K N 5.415 125.724 120.400 -0.150 0.000 2.184 331 K HA 0.108 4.435 4.320 0.010 0.000 0.259 331 K C 1.440 177.949 176.600 -0.151 0.000 1.119 331 K CA -0.127 56.065 56.287 -0.159 0.000 0.991 331 K CB 0.506 32.923 32.500 -0.139 0.000 1.522 331 K HN 0.725 nan 8.250 nan 0.000 0.405 332 T N -0.033 114.442 114.554 -0.132 0.000 2.624 332 T HA -0.136 4.220 4.350 0.010 0.000 0.268 332 T C -0.700 173.783 174.700 -0.363 0.000 1.041 332 T CA 0.993 63.035 62.100 -0.097 0.000 1.159 332 T CB -0.976 67.940 68.868 0.080 0.000 0.863 332 T HN 0.272 nan 8.240 nan 0.000 0.434 333 P HA 0.035 nan 4.420 nan 0.000 0.219 333 P C 0.827 177.785 177.300 -0.570 0.000 1.150 333 P CA 1.164 63.628 63.100 -1.059 0.000 0.814 333 P CB -0.196 31.119 31.700 -0.642 0.000 0.787 334 D N -0.599 119.607 120.400 -0.323 0.000 2.347 334 D HA 0.023 4.669 4.640 0.010 0.000 0.215 334 D C 1.768 177.973 176.300 -0.157 0.000 0.976 334 D CA 0.569 54.444 54.000 -0.207 0.000 0.884 334 D CB -0.280 40.431 40.800 -0.149 0.000 0.915 334 D HN 0.254 nan 8.370 nan 0.000 0.526 335 L N -0.518 120.619 121.223 -0.144 0.000 2.591 335 L HA 0.185 4.531 4.340 0.010 0.000 0.228 335 L C 1.713 178.565 176.870 -0.030 0.000 1.133 335 L CA 0.164 54.963 54.840 -0.068 0.000 0.880 335 L CB -0.265 41.773 42.059 -0.035 0.000 1.033 335 L HN 0.069 nan 8.230 nan 0.000 0.450 336 G N 0.619 109.388 108.800 -0.051 0.000 2.557 336 G HA2 -0.321 3.645 3.960 0.010 0.000 0.292 336 G HA3 -0.321 3.645 3.960 0.010 0.000 0.292 336 G C 0.588 175.576 174.900 0.147 0.000 1.162 336 G CA -0.221 44.896 45.100 0.029 0.000 0.964 336 G HN 0.498 nan 8.290 nan 0.000 0.541 337 G N 0.054 108.927 108.800 0.123 0.000 2.265 337 G HA2 0.485 4.451 3.960 0.010 0.000 0.240 337 G HA3 0.485 4.451 3.960 0.010 0.000 0.240 337 G C 1.419 176.427 174.900 0.179 0.000 1.270 337 G CA 1.254 46.444 45.100 0.150 0.000 0.901 337 G HN 2.053 nan 8.290 nan 0.000 0.507 338 V N 1.230 121.273 119.914 0.216 0.000 3.141 338 V HA -0.151 3.975 4.120 0.010 0.000 0.265 338 V C 2.226 178.433 176.094 0.188 0.000 1.126 338 V CA 1.459 63.871 62.300 0.187 0.000 1.141 338 V CB -0.629 31.252 31.823 0.097 0.000 0.743 338 V HN 0.805 nan 8.190 nan 0.000 0.492 339 N N 1.898 120.776 118.700 0.297 0.000 2.205 339 N HA -0.252 4.495 4.740 0.010 0.000 0.186 339 N C 1.426 176.991 175.510 0.091 0.000 1.015 339 N CA 2.040 55.252 53.050 0.270 0.000 0.862 339 N CB -0.947 37.669 38.487 0.215 0.000 0.986 339 N HN 0.576 nan 8.380 nan 0.000 0.429 340 N N 1.254 120.007 118.700 0.088 0.000 2.244 340 N HA -0.011 4.735 4.740 0.010 0.000 0.183 340 N C 1.994 177.516 175.510 0.019 0.000 1.016 340 N CA 0.691 53.773 53.050 0.053 0.000 0.866 340 N CB -0.148 38.367 38.487 0.046 0.000 0.980 340 N HN 0.388 nan 8.380 nan 0.000 0.430 341 I N 1.403 121.980 120.570 0.012 0.000 2.163 341 I HA -0.265 3.911 4.170 0.010 0.000 0.243 341 I C 2.477 178.555 176.117 -0.065 0.000 1.085 341 I CA 1.227 62.519 61.300 -0.014 0.000 1.347 341 I CB -0.431 37.570 38.000 0.001 0.000 1.044 341 I HN 0.049 nan 8.210 nan 0.000 0.408 342 A N 0.522 123.229 122.820 -0.188 0.000 1.877 342 A HA -0.243 4.083 4.320 0.010 0.000 0.216 342 A C 2.019 179.510 177.584 -0.155 0.000 1.186 342 A CA 2.116 53.944 52.037 -0.347 0.000 0.620 342 A CB -0.646 17.730 19.000 -1.039 0.000 0.822 342 A HN 0.367 nan 8.150 nan 0.000 0.443 343 D N -0.023 120.343 120.400 -0.058 0.000 2.117 343 D HA -0.066 4.581 4.640 0.010 0.000 0.197 343 D C 2.252 178.633 176.300 0.135 0.000 0.987 343 D CA 1.498 55.582 54.000 0.140 0.000 0.829 343 D CB -0.377 40.525 40.800 0.170 0.000 0.961 343 D HN 0.427 nan 8.370 nan 0.000 0.460 344 A N 0.803 123.670 122.820 0.079 0.000 1.873 344 A HA -0.130 4.197 4.320 0.010 0.000 0.215 344 A C 2.397 180.058 177.584 0.128 0.000 1.186 344 A CA 0.884 52.977 52.037 0.094 0.000 0.616 344 A CB -0.725 18.302 19.000 0.043 0.000 0.823 344 A HN 0.176 nan 8.150 nan 0.000 0.442 345 I N -0.613 120.006 120.570 0.080 0.000 2.163 345 I HA -0.297 3.879 4.170 0.010 0.000 0.243 345 I C 2.554 178.734 176.117 0.105 0.000 1.085 345 I CA 1.301 62.649 61.300 0.080 0.000 1.347 345 I CB -0.329 37.697 38.000 0.043 0.000 1.044 345 I HN 0.250 nan 8.210 nan 0.000 0.408 346 M N -0.693 118.979 119.600 0.121 0.000 2.229 346 M HA -0.210 4.276 4.480 0.010 0.000 0.264 346 M C 2.379 178.761 176.300 0.137 0.000 1.063 346 M CA 1.715 57.095 55.300 0.133 0.000 1.114 346 M CB -1.359 31.346 32.600 0.175 0.000 1.387 346 M HN 0.244 nan 8.290 nan 0.000 0.420 347 Y N 0.259 120.604 120.300 0.074 0.000 2.181 347 Y HA -0.252 4.304 4.550 0.011 0.000 0.288 347 Y C 2.634 178.570 175.900 0.061 0.000 1.146 347 Y CA 1.669 59.811 58.100 0.069 0.000 1.164 347 Y CB -0.323 38.181 38.460 0.074 0.000 0.982 347 Y HN 0.220 nan 8.280 nan 0.000 0.515 348 C N 0.654 120.066 119.300 0.186 0.000 2.413 348 C HA -0.199 4.267 4.460 0.010 0.000 0.276 348 C C 2.661 177.664 174.990 0.022 0.000 1.236 348 C CA 1.594 60.681 59.018 0.114 0.000 1.735 348 C CB -0.957 26.861 27.740 0.130 0.000 2.031 348 C HN 0.530 nan 8.230 nan 0.000 0.474 349 K N 0.999 121.416 120.400 0.029 0.000 2.026 349 K HA -0.114 4.212 4.320 0.010 0.000 0.208 349 K C 2.239 178.820 176.600 -0.033 0.000 1.048 349 K CA 1.587 57.880 56.287 0.011 0.000 0.929 349 K CB -0.383 32.135 32.500 0.030 0.000 0.713 349 K HN 0.478 nan 8.250 nan 0.000 0.439 350 A N 1.817 124.593 122.820 -0.074 0.000 2.024 350 A HA -0.146 4.180 4.320 0.010 0.000 0.220 350 A C 1.478 178.974 177.584 -0.146 0.000 1.164 350 A CA 1.437 53.406 52.037 -0.114 0.000 0.643 350 A CB -0.243 18.656 19.000 -0.168 0.000 0.806 350 A HN 0.283 nan 8.150 nan 0.000 0.451 351 N N -0.919 117.671 118.700 -0.183 0.000 2.235 351 N HA 0.176 4.922 4.740 0.010 0.000 0.209 351 N C 0.883 176.354 175.510 -0.065 0.000 1.122 351 N CA 0.742 53.699 53.050 -0.155 0.000 0.845 351 N CB 0.521 38.859 38.487 -0.248 0.000 1.004 351 N HN 0.563 nan 8.380 nan 0.000 0.499 352 G N 1.847 110.623 108.800 -0.039 0.000 2.225 352 G HA2 -0.301 3.665 3.960 0.010 0.000 0.267 352 G HA3 -0.301 3.665 3.960 0.010 0.000 0.267 352 G C -0.031 174.877 174.900 0.014 0.000 1.024 352 G CA 0.638 45.733 45.100 -0.009 0.000 0.784 352 G HN 0.331 nan 8.290 nan 0.000 0.507 353 M N 1.167 120.783 119.600 0.026 0.000 2.336 353 M HA 0.707 5.194 4.480 0.010 0.000 0.342 353 M C 0.734 177.078 176.300 0.073 0.000 1.128 353 M CA -0.303 55.032 55.300 0.057 0.000 1.016 353 M CB 1.435 34.082 32.600 0.079 0.000 1.665 353 M HN 0.588 nan 8.290 nan 0.000 0.445 354 G N 3.364 112.217 108.800 0.088 0.000 2.432 354 G HA2 0.518 4.485 3.960 0.010 0.000 0.239 354 G HA3 0.518 4.485 3.960 0.010 0.000 0.239 354 G C -0.983 173.984 174.900 0.112 0.000 1.291 354 G CA -0.173 44.982 45.100 0.093 0.000 0.863 354 G HN 1.056 nan 8.290 nan 0.000 0.560 355 A N 2.043 124.932 122.820 0.114 0.000 2.273 355 A HA 0.540 4.866 4.320 0.010 0.000 0.315 355 A C -1.100 176.597 177.584 0.189 0.000 1.256 355 A CA -0.684 51.431 52.037 0.131 0.000 0.851 355 A CB 0.947 20.008 19.000 0.103 0.000 1.172 355 A HN 0.884 nan 8.150 nan 0.000 0.508 356 Y N 3.200 123.535 120.300 0.059 0.000 2.434 356 Y HA 0.422 4.978 4.550 0.011 0.000 0.341 356 Y C -0.177 175.767 175.900 0.073 0.000 0.965 356 Y CA -1.917 56.225 58.100 0.071 0.000 1.205 356 Y CB 0.604 39.114 38.460 0.083 0.000 1.121 356 Y HN 0.670 nan 8.280 nan 0.000 0.507 357 C N 7.791 127.228 119.300 0.228 0.000 2.383 357 C HA 0.684 5.150 4.460 0.010 0.000 0.350 357 C C 1.149 176.144 174.990 0.007 0.000 1.173 357 C CA 0.361 59.415 59.018 0.060 0.000 1.645 357 C CB -1.875 25.920 27.740 0.091 0.000 2.221 357 C HN 1.113 nan 8.230 nan 0.000 0.528 358 G N 3.717 112.373 108.800 -0.241 0.000 2.928 358 G HA2 0.782 4.748 3.960 0.010 0.000 0.163 358 G HA3 0.782 4.748 3.960 0.010 0.000 0.163 358 G C 0.280 175.139 174.900 -0.068 0.000 1.573 358 G CA 0.300 45.224 45.100 -0.292 0.000 1.084 358 G HN 1.595 nan 8.290 nan 0.000 0.569 359 G N -2.797 105.953 108.800 -0.083 0.000 2.350 359 G HA2 0.506 4.473 3.960 0.010 0.000 0.282 359 G HA3 0.506 4.473 3.960 0.010 0.000 0.282 359 G C -0.709 174.163 174.900 -0.047 0.000 1.314 359 G CA 0.668 45.747 45.100 -0.035 0.000 0.915 359 G HN 1.305 nan 8.290 nan 0.000 0.499 363 E N -1.041 119.184 120.200 0.041 0.000 3.751 363 E HA 0.547 4.903 4.350 0.010 0.000 0.281 363 E C -0.010 176.617 176.600 0.045 0.000 1.086 363 E CA -0.524 55.917 56.400 0.069 0.000 1.579 363 E CB 0.345 30.122 29.700 0.128 0.000 1.666 363 E HN 0.100 nan 8.360 nan 0.000 0.655 364 T N -2.292 112.290 114.554 0.047 0.000 2.888 364 T HA 0.193 4.549 4.350 0.010 0.000 0.288 364 T C 0.889 175.590 174.700 0.002 0.000 1.063 364 T CA -0.398 61.714 62.100 0.020 0.000 1.010 364 T CB 1.082 69.966 68.868 0.027 0.000 1.214 364 T HN 0.568 nan 8.240 nan 0.000 0.533 365 N N 0.834 119.533 118.700 -0.002 0.000 2.149 365 N HA -0.179 4.568 4.740 0.010 0.000 0.188 365 N C 1.657 177.142 175.510 -0.042 0.000 1.019 365 N CA 1.133 54.176 53.050 -0.012 0.000 0.857 365 N CB -0.635 37.852 38.487 0.001 0.000 0.997 365 N HN 0.579 nan 8.380 nan 0.000 0.426 366 R N 1.404 121.862 120.500 -0.071 0.000 2.075 366 R HA 0.043 4.389 4.340 0.010 0.000 0.226 366 R C 2.402 178.585 176.300 -0.195 0.000 1.114 366 R CA 1.609 57.599 56.100 -0.184 0.000 0.972 366 R CB -0.917 29.140 30.300 -0.405 0.000 0.869 366 R HN 0.417 nan 8.270 nan 0.000 0.437 367 S N -0.022 115.584 115.700 -0.158 0.000 2.383 367 S HA -0.125 4.351 4.470 0.010 0.000 0.229 367 S C 2.166 176.704 174.600 -0.104 0.000 1.030 367 S CA 1.116 59.207 58.200 -0.182 0.000 1.002 367 S CB -0.617 62.516 63.200 -0.113 0.000 0.829 367 S HN 0.399 nan 8.310 nan 0.000 0.467 368 A N 1.904 124.696 122.820 -0.047 0.000 1.902 368 A HA -0.077 4.249 4.320 0.010 0.000 0.217 368 A C 2.174 179.733 177.584 -0.043 0.000 1.181 368 A CA 1.500 53.525 52.037 -0.021 0.000 0.623 368 A CB -0.792 18.202 19.000 -0.009 0.000 0.818 368 A HN 0.678 nan 8.150 nan 0.000 0.443 369 E N -0.379 119.782 120.200 -0.065 0.000 2.085 369 E HA -0.145 4.211 4.350 0.010 0.000 0.194 369 E C 2.003 178.552 176.600 -0.085 0.000 0.994 369 E CA 1.424 57.784 56.400 -0.067 0.000 0.801 369 E CB -0.292 29.362 29.700 -0.076 0.000 0.743 369 E HN 0.416 nan 8.360 nan 0.000 0.453 370 V N 1.316 121.154 119.914 -0.126 0.000 2.307 370 V HA -0.251 3.875 4.120 0.010 0.000 0.245 370 V C 2.726 178.749 176.094 -0.117 0.000 1.045 370 V CA 2.189 64.401 62.300 -0.146 0.000 1.024 370 V CB -0.987 30.710 31.823 -0.210 0.000 0.651 370 V HN 0.509 nan 8.190 nan 0.000 0.449 371 T N -3.103 111.396 114.554 -0.091 0.000 2.962 371 T HA -0.185 4.171 4.350 0.010 0.000 0.270 371 T C 1.727 176.414 174.700 -0.022 0.000 1.088 371 T CA 1.853 63.929 62.100 -0.040 0.000 1.127 371 T CB -0.585 68.299 68.868 0.027 0.000 0.883 371 T HN 0.431 nan 8.240 nan 0.000 0.493 372 T N 2.184 116.725 114.554 -0.021 0.000 2.821 372 T HA -0.043 4.313 4.350 0.010 0.000 0.267 372 T C 2.056 176.745 174.700 -0.019 0.000 1.046 372 T CA 1.050 63.147 62.100 -0.005 0.000 1.139 372 T CB -0.420 68.446 68.868 -0.004 0.000 0.871 372 T HN 0.513 nan 8.240 nan 0.000 0.454 373 N N 0.940 119.612 118.700 -0.045 0.000 2.120 373 N HA -0.028 4.719 4.740 0.010 0.000 0.188 373 N C 1.913 177.386 175.510 -0.062 0.000 1.024 373 N CA 1.127 54.144 53.050 -0.055 0.000 0.852 373 N CB -0.204 38.234 38.487 -0.081 0.000 1.003 373 N HN 0.378 nan 8.380 nan 0.000 0.424 374 I N 0.811 121.334 120.570 -0.080 0.000 2.226 374 I HA -0.166 4.011 4.170 0.010 0.000 0.245 374 I C 2.577 178.666 176.117 -0.047 0.000 1.100 374 I CA 1.140 62.385 61.300 -0.091 0.000 1.374 374 I CB -0.641 37.291 38.000 -0.113 0.000 1.057 374 I HN 0.143 nan 8.210 nan 0.000 0.413 375 G N 0.700 109.490 108.800 -0.016 0.000 2.418 375 G HA2 -0.232 3.735 3.960 0.010 0.000 0.217 375 G HA3 -0.232 3.735 3.960 0.010 0.000 0.217 375 G C 1.734 176.645 174.900 0.018 0.000 1.158 375 G CA 0.587 45.696 45.100 0.015 0.000 0.771 375 G HN 0.230 nan 8.290 nan 0.000 0.545 376 M N 0.757 120.362 119.600 0.010 0.000 2.099 376 M HA 0.051 4.538 4.480 0.010 0.000 0.262 376 M C 3.073 179.380 176.300 0.010 0.000 1.067 376 M CA 1.339 56.646 55.300 0.013 0.000 1.124 376 M CB -0.239 32.364 32.600 0.006 0.000 1.353 376 M HN 0.287 nan 8.290 nan 0.000 0.410 377 A N -0.552 122.266 122.820 -0.002 0.000 1.940 377 A HA -0.189 4.137 4.320 0.010 0.000 0.219 377 A C 2.076 179.675 177.584 0.025 0.000 1.176 377 A CA 1.758 53.799 52.037 0.007 0.000 0.631 377 A CB -1.089 17.905 19.000 -0.010 0.000 0.814 377 A HN 0.649 nan 8.150 nan 0.000 0.446 378 C N -1.436 117.875 119.300 0.018 0.000 2.791 378 C HA 0.480 4.947 4.460 0.010 0.000 0.270 378 C C 1.726 176.740 174.990 0.039 0.000 1.257 378 C CA -0.085 58.953 59.018 0.034 0.000 1.699 378 C CB -1.028 26.723 27.740 0.017 0.000 1.904 378 C HN 1.139 nan 8.230 nan 0.000 0.603 379 G N 1.527 110.347 108.800 0.035 0.000 2.272 379 G HA2 0.002 3.968 3.960 0.010 0.000 0.280 379 G HA3 0.002 3.968 3.960 0.010 0.000 0.280 379 G C 0.157 175.085 174.900 0.046 0.000 1.067 379 G CA 0.242 45.364 45.100 0.038 0.000 0.902 379 G HN 0.941 nan 8.290 nan 0.000 0.500 380 A N -0.666 122.186 122.820 0.053 0.000 2.507 380 A HA 0.615 4.941 4.320 0.010 0.000 0.235 380 A C 1.493 179.122 177.584 0.075 0.000 1.070 380 A CA 1.301 53.382 52.037 0.072 0.000 0.768 380 A CB 0.251 19.303 19.000 0.086 0.000 1.011 380 A HN 0.903 nan 8.150 nan 0.000 0.502 381 R N -0.250 120.302 120.500 0.087 0.000 2.119 381 R HA -0.020 4.327 4.340 0.010 0.000 0.222 381 R C 0.662 177.007 176.300 0.074 0.000 1.088 381 R CA 2.002 58.145 56.100 0.072 0.000 0.984 381 R CB -0.053 30.289 30.300 0.069 0.000 0.884 381 R HN 0.894 nan 8.270 nan 0.000 0.447 382 Q N -1.247 118.621 119.800 0.114 0.000 2.522 382 Q HA 0.456 4.802 4.340 0.010 0.000 0.285 382 Q C -1.422 174.711 176.000 0.222 0.000 0.982 382 Q CA -1.128 54.750 55.803 0.126 0.000 0.805 382 Q CB 1.925 30.681 28.738 0.030 0.000 1.457 382 Q HN -0.035 nan 8.270 nan 0.000 0.394 383 V N -0.872 119.170 119.914 0.214 0.000 2.823 383 V HA 0.702 4.828 4.120 0.010 0.000 0.312 383 V C -0.782 175.480 176.094 0.280 0.000 1.072 383 V CA -1.115 61.327 62.300 0.238 0.000 0.937 383 V CB 1.635 33.541 31.823 0.138 0.000 1.013 383 V HN 0.813 nan 8.190 nan 0.000 0.430 384 L N 3.922 125.326 121.223 0.300 0.000 2.319 384 L HA 0.773 5.120 4.340 0.010 0.000 0.280 384 L C 0.776 177.699 176.870 0.088 0.000 1.099 384 L CA 0.199 55.183 54.840 0.239 0.000 0.828 384 L CB 0.700 42.906 42.059 0.246 0.000 1.150 384 L HN 1.115 nan 8.230 nan 0.000 0.442 385 A N 6.558 129.390 122.820 0.020 0.000 2.492 385 A HA 0.516 4.842 4.320 0.010 0.000 0.254 385 A C -0.125 177.431 177.584 -0.046 0.000 1.091 385 A CA 0.069 52.095 52.037 -0.019 0.000 0.768 385 A CB -0.276 18.696 19.000 -0.047 0.000 1.028 385 A HN 0.805 nan 8.150 nan 0.000 0.498 386 K N 2.318 122.703 120.400 -0.026 0.000 2.642 386 K HA 0.664 4.991 4.320 0.010 0.000 0.290 386 K C -3.494 173.097 176.600 -0.015 0.000 1.006 386 K CA -1.524 54.745 56.287 -0.030 0.000 0.869 386 K CB 1.745 34.236 32.500 -0.015 0.000 1.499 386 K HN 0.357 nan 8.250 nan 0.000 0.403 387 P HA 0.469 nan 4.420 nan 0.000 0.321 387 P C -0.120 177.167 177.300 -0.023 0.000 1.304 387 P CA 0.204 63.294 63.100 -0.017 0.000 0.759 387 P CB 0.762 32.465 31.700 0.005 0.000 1.385 388 G N -1.012 107.780 108.800 -0.014 0.000 2.756 388 G HA2 -0.116 3.850 3.960 0.010 0.000 0.678 388 G HA3 -0.116 3.850 3.960 0.010 0.000 0.678 388 G C 0.195 175.044 174.900 -0.084 0.000 1.349 388 G CA -0.176 44.930 45.100 0.010 0.000 0.847 388 G HN 0.417 nan 8.290 nan 0.000 0.548 389 M N 1.151 120.723 119.600 -0.047 0.000 2.313 389 M HA 0.186 4.672 4.480 0.010 0.000 0.273 389 M C 2.318 178.601 176.300 -0.028 0.000 1.049 389 M CA 1.165 56.399 55.300 -0.109 0.000 1.004 389 M CB 0.427 32.932 32.600 -0.158 0.000 1.461 389 M HN 0.937 nan 8.290 nan 0.000 0.514 390 G N 0.130 108.932 108.800 0.003 0.000 2.509 390 G HA2 0.105 4.072 3.960 0.010 0.000 0.218 390 G HA3 0.105 4.072 3.960 0.010 0.000 0.218 390 G C 1.324 176.215 174.900 -0.015 0.000 1.124 390 G CA 0.973 46.075 45.100 0.004 0.000 0.776 390 G HN 0.286 nan 8.290 nan 0.000 0.547 391 V N 0.323 120.215 119.914 -0.036 0.000 0.481 391 V HA -0.407 3.719 4.120 0.010 0.000 0.092 391 V C 2.164 178.239 176.094 -0.033 0.000 2.400 391 V CA 2.496 64.768 62.300 -0.047 0.000 3.646 391 V CB -1.321 30.478 31.823 -0.041 0.000 0.927 391 V HN 0.437 nan 8.190 nan 0.000 0.973 392 D N 0.056 120.444 120.400 -0.020 0.000 2.116 392 D HA -0.195 4.452 4.640 0.010 0.000 0.193 392 D C 1.852 178.143 176.300 -0.016 0.000 0.998 392 D CA 2.132 56.122 54.000 -0.016 0.000 0.836 392 D CB -0.068 40.726 40.800 -0.011 0.000 0.951 392 D HN 0.797 nan 8.370 nan 0.000 0.449 393 E N 0.502 120.694 120.200 -0.014 0.000 2.051 393 E HA -0.073 4.283 4.350 0.010 0.000 0.192 393 E C 2.249 178.841 176.600 -0.014 0.000 0.991 393 E CA 1.162 57.555 56.400 -0.011 0.000 0.799 393 E CB -0.599 29.098 29.700 -0.006 0.000 0.748 393 E HN 0.318 nan 8.360 nan 0.000 0.449 394 G N 0.467 109.254 108.800 -0.022 0.000 2.418 394 G HA2 -0.266 3.700 3.960 0.010 0.000 0.217 394 G HA3 -0.266 3.700 3.960 0.010 0.000 0.217 394 G C 1.559 176.446 174.900 -0.020 0.000 1.158 394 G CA 0.895 45.980 45.100 -0.026 0.000 0.771 394 G HN 0.107 nan 8.290 nan 0.000 0.545 395 M N -0.216 119.371 119.600 -0.022 0.000 2.159 395 M HA 0.028 4.514 4.480 0.010 0.000 0.263 395 M C 2.587 178.883 176.300 -0.007 0.000 1.063 395 M CA 1.405 56.697 55.300 -0.013 0.000 1.110 395 M CB -0.305 32.286 32.600 -0.015 0.000 1.374 395 M HN 0.347 nan 8.290 nan 0.000 0.411 396 M N 0.726 120.320 119.600 -0.009 0.000 2.067 396 M HA -0.217 4.269 4.480 0.010 0.000 0.260 396 M C 2.003 178.300 176.300 -0.005 0.000 1.069 396 M CA 1.913 57.209 55.300 -0.007 0.000 1.117 396 M CB -0.172 32.423 32.600 -0.008 0.000 1.334 396 M HN 0.177 nan 8.290 nan 0.000 0.407 397 I N -0.287 120.279 120.570 -0.007 0.000 2.179 397 I HA -0.283 3.893 4.170 0.010 0.000 0.242 397 I C 2.241 178.355 176.117 -0.005 0.000 1.088 397 I CA 1.187 62.483 61.300 -0.007 0.000 1.357 397 I CB -0.346 37.649 38.000 -0.009 0.000 1.051 397 I HN 0.177 nan 8.210 nan 0.000 0.409 398 V N 0.422 120.335 119.914 -0.001 0.000 2.346 398 V HA -0.209 3.918 4.120 0.010 0.000 0.244 398 V C 2.435 178.535 176.094 0.010 0.000 1.037 398 V CA 1.600 63.903 62.300 0.006 0.000 1.029 398 V CB -0.525 31.308 31.823 0.017 0.000 0.663 398 V HN 0.297 nan 8.190 nan 0.000 0.454 399 K N 1.058 121.464 120.400 0.011 0.000 2.097 399 K HA -0.117 4.210 4.320 0.010 0.000 0.205 399 K C 1.814 178.418 176.600 0.007 0.000 1.050 399 K CA 1.483 57.778 56.287 0.013 0.000 0.938 399 K CB -0.511 31.997 32.500 0.013 0.000 0.718 399 K HN 0.420 nan 8.250 nan 0.000 0.442 400 N N 0.748 119.450 118.700 0.002 0.000 2.120 400 N HA -0.152 4.594 4.740 0.010 0.000 0.188 400 N C 1.560 177.069 175.510 -0.002 0.000 1.024 400 N CA 1.349 54.398 53.050 -0.001 0.000 0.852 400 N CB -0.354 38.131 38.487 -0.003 0.000 1.003 400 N HN 0.340 nan 8.380 nan 0.000 0.424 401 E N 0.910 121.108 120.200 -0.004 0.000 2.058 401 E HA -0.133 4.223 4.350 0.010 0.000 0.194 401 E C 1.975 178.572 176.600 -0.005 0.000 0.997 401 E CA 1.032 57.428 56.400 -0.008 0.000 0.801 401 E CB -0.261 29.430 29.700 -0.015 0.000 0.746 401 E HN 0.344 nan 8.360 nan 0.000 0.450 402 M N 0.053 119.654 119.600 0.001 0.000 2.080 402 M HA -0.212 4.274 4.480 0.010 0.000 0.260 402 M C 1.477 177.780 176.300 0.006 0.000 1.068 402 M CA 1.941 57.244 55.300 0.006 0.000 1.109 402 M CB -0.207 32.402 32.600 0.015 0.000 1.342 402 M HN 0.084 nan 8.290 nan 0.000 0.405 403 N N 0.456 119.160 118.700 0.006 0.000 2.069 403 N HA -0.151 4.596 4.740 0.010 0.000 0.191 403 N C 1.691 177.203 175.510 0.003 0.000 1.031 403 N CA 1.508 54.561 53.050 0.006 0.000 0.852 403 N CB -0.500 37.990 38.487 0.005 0.000 1.018 403 N HN 0.436 nan 8.380 nan 0.000 0.423 404 R N 0.261 120.761 120.500 -0.000 0.000 2.075 404 R HA 0.011 4.358 4.340 0.010 0.000 0.232 404 R C 2.139 178.437 176.300 -0.003 0.000 1.126 404 R CA 0.768 56.867 56.100 -0.002 0.000 0.963 404 R CB -0.485 29.812 30.300 -0.004 0.000 0.858 404 R HN 0.033 nan 8.270 nan 0.000 0.435 405 V N 1.760 121.671 119.914 -0.005 0.000 2.287 405 V HA -0.267 3.859 4.120 0.010 0.000 0.248 405 V C 2.332 178.424 176.094 -0.002 0.000 1.053 405 V CA 1.764 64.060 62.300 -0.006 0.000 1.027 405 V CB -0.429 31.388 31.823 -0.010 0.000 0.646 405 V HN 0.295 nan 8.190 nan 0.000 0.447 406 L N -0.129 121.094 121.223 0.001 0.000 2.046 406 L HA -0.165 4.181 4.340 0.010 0.000 0.208 406 L C 2.694 179.566 176.870 0.004 0.000 1.077 406 L CA 1.584 56.427 54.840 0.004 0.000 0.747 406 L CB -0.770 41.293 42.059 0.007 0.000 0.896 406 L HN 0.365 nan 8.230 nan 0.000 0.432 407 A N -0.008 122.813 122.820 0.003 0.000 1.898 407 A HA -0.133 4.193 4.320 0.010 0.000 0.216 407 A C 2.239 179.824 177.584 0.002 0.000 1.181 407 A CA 1.325 53.363 52.037 0.002 0.000 0.620 407 A CB -0.607 18.394 19.000 0.002 0.000 0.819 407 A HN 0.349 nan 8.150 nan 0.000 0.442 408 L N -0.586 120.637 121.223 0.000 0.000 2.056 408 L HA -0.125 4.221 4.340 0.010 0.000 0.207 408 L C 2.471 179.341 176.870 0.001 0.000 1.078 408 L CA 0.843 55.683 54.840 -0.000 0.000 0.749 408 L CB -0.482 41.575 42.059 -0.002 0.000 0.901 408 L HN 0.229 nan 8.230 nan 0.000 0.433 409 V N 0.244 120.159 119.914 0.001 0.000 2.407 409 V HA -0.200 3.927 4.120 0.010 0.000 0.248 409 V C 2.617 178.713 176.094 0.004 0.000 1.055 409 V CA 1.896 64.197 62.300 0.002 0.000 1.049 409 V CB -1.293 30.532 31.823 0.003 0.000 0.662 409 V HN 0.580 nan 8.190 nan 0.000 0.455 410 G N -0.160 108.643 108.800 0.004 0.000 2.462 410 G HA2 -0.247 3.720 3.960 0.010 0.000 0.220 410 G HA3 -0.247 3.720 3.960 0.010 0.000 0.220 410 G C 1.720 176.622 174.900 0.004 0.000 1.121 410 G CA 0.519 45.622 45.100 0.005 0.000 0.758 410 G HN 0.455 nan 8.290 nan 0.000 0.559 411 R N -0.412 120.090 120.500 0.004 0.000 2.189 411 R HA 0.094 4.441 4.340 0.010 0.000 0.218 411 R C 2.226 178.528 176.300 0.004 0.000 1.074 411 R CA 0.598 56.700 56.100 0.003 0.000 0.991 411 R CB -0.040 30.262 30.300 0.003 0.000 0.883 411 R HN 0.251 nan 8.270 nan 0.000 0.457 412 R N -0.054 120.449 120.500 0.004 0.000 2.362 412 R HA 0.141 4.487 4.340 0.010 0.000 0.227 412 R C 0.294 176.598 176.300 0.006 0.000 0.905 412 R CA 0.044 56.147 56.100 0.005 0.000 1.067 412 R CB 0.535 30.838 30.300 0.006 0.000 1.078 412 R HN 0.034 nan 8.270 nan 0.000 0.516 413 K N 0.000 120.403 120.400 0.006 0.000 2.780 413 K HA 0.000 4.326 4.320 0.010 0.000 0.191 413 K CA 0.000 56.291 56.287 0.006 0.000 0.838 413 K CB 0.000 32.504 32.500 0.006 0.000 1.064 413 K HN 0.000 nan 8.250 nan 0.000 0.543