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 1zdp_1_E DATA FIRST_RESID 1 DATA SEQUENCE ITGTSTVGVG RGVLGDQKNI NTTYSTYYYL QDNTRGDGIF TYDAKYRTTL DATA SEQUENCE PGSLWADADN QFFASYDAPA VDAHYYAGVT YDYYKNVHNR LSYDGNNAAI DATA SEQUENCE RSSVHYSQGY NNAFWNGSEM VYGDGDGQTF IPLSGGIDVV AHELTHAVTD DATA SEQUENCE YTAGLIYQNE SGAINEAISD IFGTLVEFYA NKNPDWEIGE DVYTPGISGD DATA SEQUENCE SLRSMSDPAK YGDPDHYSKR YTGTQDNGGV HINSGIINKA AYLISQGGTH DATA SEQUENCE YGVSVVGIGR DKLGKIFYRA LTQYLTPTSN FSQLRAAAVQ SATDLYGSTS DATA SEQUENCE QEVASVKQAF DAVGVK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 I HA 0.000 nan 4.170 nan 0.000 0.288 1 I C 0.000 176.115 176.117 -0.003 0.000 1.063 1 I CA 0.000 61.244 61.300 -0.093 0.000 1.566 1 I CB 0.000 37.795 38.000 -0.342 0.000 1.214 2 T N 4.550 119.096 114.554 -0.012 0.000 2.749 2 T HA 0.819 5.169 4.350 -0.000 0.000 0.287 2 T C 0.108 174.819 174.700 0.017 0.000 0.970 2 T CA -0.171 61.938 62.100 0.015 0.000 0.980 2 T CB 1.337 70.208 68.868 0.005 0.000 0.924 2 T HN 0.892 nan 8.240 nan 0.000 0.456 3 G N 1.309 110.134 108.800 0.042 0.000 2.494 3 G HA2 0.490 4.450 3.960 -0.000 0.000 0.308 3 G HA3 0.490 4.450 3.960 -0.000 0.000 0.308 3 G C -0.990 173.959 174.900 0.083 0.000 1.263 3 G CA -0.567 44.559 45.100 0.043 0.000 0.840 3 G HN 0.573 nan 8.290 nan 0.000 0.479 4 T N 0.729 115.360 114.554 0.129 0.000 2.780 4 T HA 0.526 4.876 4.350 -0.000 0.000 0.294 4 T C 0.537 175.339 174.700 0.169 0.000 0.949 4 T CA -0.042 62.151 62.100 0.154 0.000 1.074 4 T CB 0.079 69.061 68.868 0.191 0.000 0.910 4 T HN 0.554 nan 8.240 nan 0.000 0.501 5 S N 4.021 119.792 115.700 0.119 0.000 2.549 5 S HA 0.463 4.933 4.470 -0.000 0.000 0.283 5 S C 0.622 175.298 174.600 0.127 0.000 1.320 5 S CA -0.555 57.713 58.200 0.113 0.000 1.058 5 S CB 0.574 63.813 63.200 0.065 0.000 0.882 5 S HN 0.974 nan 8.310 nan 0.000 0.498 6 T N -1.144 113.499 114.554 0.147 0.000 2.681 6 T HA 0.696 5.046 4.350 -0.000 0.000 0.296 6 T C -1.021 173.740 174.700 0.102 0.000 1.157 6 T CA -0.787 61.392 62.100 0.131 0.000 1.025 6 T CB 0.874 69.850 68.868 0.180 0.000 1.441 6 T HN 0.298 nan 8.240 nan 0.000 0.504 7 V N 0.492 120.447 119.914 0.069 0.000 2.577 7 V HA 0.780 4.900 4.120 -0.000 0.000 0.303 7 V C 0.619 176.727 176.094 0.022 0.000 1.042 7 V CA -0.225 62.101 62.300 0.044 0.000 0.872 7 V CB 1.384 33.224 31.823 0.029 0.000 0.998 7 V HN 1.345 nan 8.190 nan 0.000 0.423 8 G N 2.211 111.029 108.800 0.029 0.000 2.820 8 G HA2 0.733 4.693 3.960 -0.000 0.000 0.291 8 G HA3 0.733 4.693 3.960 -0.000 0.000 0.291 8 G C -1.297 173.613 174.900 0.016 0.000 1.323 8 G CA -0.703 44.424 45.100 0.045 0.000 1.055 8 G HN 0.739 nan 8.290 nan 0.000 0.520 9 V N -0.953 118.980 119.914 0.032 0.000 2.876 9 V HA 0.968 5.088 4.120 -0.000 0.000 0.312 9 V C 0.131 176.036 176.094 -0.316 0.000 1.085 9 V CA 0.484 62.741 62.300 -0.072 0.000 0.945 9 V CB 1.800 33.656 31.823 0.054 0.000 1.017 9 V HN 1.526 nan 8.190 nan 0.000 0.428 10 G N 4.129 112.634 108.800 -0.492 0.000 2.645 10 G HA2 0.662 4.622 3.960 -0.000 0.000 0.292 10 G HA3 0.662 4.622 3.960 -0.000 0.000 0.292 10 G C -1.905 172.659 174.900 -0.560 0.000 1.415 10 G CA -1.055 43.589 45.100 -0.760 0.000 0.785 10 G HN 0.824 nan 8.290 nan 0.000 0.483 11 R N -0.670 119.591 120.500 -0.399 0.000 2.494 11 R HA 0.628 4.968 4.340 -0.000 0.000 0.305 11 R C 0.633 176.844 176.300 -0.147 0.000 0.959 11 R CA 0.126 56.153 56.100 -0.122 0.000 0.864 11 R CB 1.481 31.839 30.300 0.097 0.000 1.159 11 R HN 0.864 nan 8.270 nan 0.000 0.446 12 G N 0.925 109.631 108.800 -0.158 0.000 2.588 12 G HA2 0.147 4.107 3.960 -0.000 0.000 0.281 12 G HA3 0.147 4.107 3.960 -0.000 0.000 0.281 12 G C 0.699 175.555 174.900 -0.073 0.000 1.236 12 G CA -0.598 44.402 45.100 -0.167 0.000 0.969 12 G HN 0.446 nan 8.290 nan 0.000 0.504 13 V N -0.116 119.762 119.914 -0.061 0.000 2.332 13 V HA -0.147 3.973 4.120 -0.000 0.000 0.248 13 V C 2.591 178.696 176.094 0.019 0.000 1.055 13 V CA 1.333 63.630 62.300 -0.006 0.000 1.038 13 V CB -0.513 31.315 31.823 0.008 0.000 0.651 13 V HN 0.389 nan 8.190 nan 0.000 0.450 14 L N 0.526 121.759 121.223 0.017 0.000 2.627 14 L HA 0.312 4.652 4.340 -0.000 0.000 0.233 14 L C 1.758 178.638 176.870 0.017 0.000 1.144 14 L CA 1.347 56.201 54.840 0.024 0.000 0.892 14 L CB -0.750 41.327 42.059 0.031 0.000 1.039 14 L HN 0.475 nan 8.230 nan 0.000 0.442 15 G N -0.985 107.823 108.800 0.013 0.000 2.176 15 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.253 15 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.253 15 G C -0.016 174.895 174.900 0.018 0.000 0.979 15 G CA 0.283 45.398 45.100 0.025 0.000 0.641 15 G HN 0.487 nan 8.290 nan 0.000 0.530 16 D N 0.168 120.560 120.400 -0.014 0.000 2.255 16 D HA 0.450 5.090 4.640 -0.000 0.000 0.249 16 D C 0.232 176.496 176.300 -0.059 0.000 1.078 16 D CA -0.375 53.603 54.000 -0.035 0.000 0.896 16 D CB 1.160 41.923 40.800 -0.062 0.000 1.194 16 D HN 0.467 nan 8.370 nan 0.000 0.429 17 Q N 0.848 120.627 119.800 -0.034 0.000 2.241 17 Q HA 0.335 4.675 4.340 -0.000 0.000 0.254 17 Q C -0.727 175.197 176.000 -0.127 0.000 0.917 17 Q CA -0.713 55.077 55.803 -0.022 0.000 0.919 17 Q CB 0.929 29.729 28.738 0.102 0.000 1.237 17 Q HN 0.584 nan 8.270 nan 0.000 0.434 18 K N 2.054 122.332 120.400 -0.203 0.000 2.509 18 K HA 0.510 4.830 4.320 -0.000 0.000 0.266 18 K C -1.105 175.385 176.600 -0.183 0.000 0.987 18 K CA -1.084 55.033 56.287 -0.284 0.000 0.868 18 K CB 1.172 33.274 32.500 -0.663 0.000 1.421 18 K HN 0.420 nan 8.250 nan 0.000 0.444 19 N N 1.509 120.157 118.700 -0.086 0.000 2.443 19 N HA 0.485 5.225 4.740 -0.000 0.000 0.295 19 N C -0.389 175.138 175.510 0.028 0.000 1.076 19 N CA -0.548 52.490 53.050 -0.020 0.000 0.919 19 N CB 1.449 39.951 38.487 0.024 0.000 1.176 19 N HN 0.607 nan 8.380 nan 0.000 0.487 20 I N -1.643 118.917 120.570 -0.016 0.000 2.828 20 I HA 0.494 4.664 4.170 -0.000 0.000 0.302 20 I C -0.673 175.454 176.117 0.018 0.000 1.101 20 I CA -1.037 60.274 61.300 0.018 0.000 1.031 20 I CB 2.036 39.995 38.000 -0.068 0.000 1.231 20 I HN 0.164 nan 8.210 nan 0.000 0.427 21 N N 2.756 121.481 118.700 0.042 0.000 2.430 21 N HA 0.429 5.169 4.740 -0.000 0.000 0.265 21 N C -0.268 175.313 175.510 0.118 0.000 1.100 21 N CA -0.089 52.990 53.050 0.049 0.000 0.961 21 N CB 1.278 39.755 38.487 -0.017 0.000 1.075 21 N HN 0.798 nan 8.380 nan 0.000 0.478 22 T N -1.189 113.430 114.554 0.108 0.000 2.883 22 T HA 0.592 4.942 4.350 -0.000 0.000 0.284 22 T C -0.333 174.489 174.700 0.204 0.000 1.041 22 T CA -0.739 61.452 62.100 0.152 0.000 1.007 22 T CB 1.765 70.762 68.868 0.215 0.000 1.220 22 T HN 0.154 nan 8.240 nan 0.000 0.552 23 T N 1.264 115.987 114.554 0.282 0.000 2.921 23 T HA 0.477 4.827 4.350 -0.000 0.000 0.297 23 T C -2.028 172.902 174.700 0.383 0.000 1.013 23 T CA -0.470 61.803 62.100 0.288 0.000 0.990 23 T CB 1.021 70.026 68.868 0.229 0.000 1.023 23 T HN 0.639 nan 8.240 nan 0.000 0.447 24 Y N 2.160 122.540 120.300 0.134 0.000 2.331 24 Y HA 0.634 5.184 4.550 -0.000 0.000 0.338 24 Y C -0.128 175.766 175.900 -0.009 0.000 0.976 24 Y CA -0.761 57.306 58.100 -0.055 0.000 1.137 24 Y CB 1.363 39.730 38.460 -0.154 0.000 1.172 24 Y HN 0.576 nan 8.280 nan 0.000 0.478 25 S N 5.045 120.430 115.700 -0.525 0.000 2.548 25 S HA 0.308 4.778 4.470 -0.000 0.000 0.168 25 S C 0.220 174.604 174.600 -0.361 0.000 1.068 25 S CA 0.363 58.313 58.200 -0.417 0.000 1.129 25 S CB -0.156 63.016 63.200 -0.048 0.000 1.435 25 S HN 1.261 nan 8.310 nan 0.000 0.410 26 T N 2.507 116.622 114.554 -0.732 0.000 13.029 26 T HA -0.276 4.074 4.350 -0.000 0.000 0.417 26 T C -0.001 174.389 174.700 -0.517 0.000 1.457 26 T CA 1.676 63.487 62.100 -0.480 0.000 2.388 26 T CB -1.877 66.822 68.868 -0.281 0.000 2.799 26 T HN 0.625 nan 8.240 nan 0.000 0.661 27 Y N -0.136 119.966 120.300 -0.330 0.000 2.568 27 Y HA 0.672 5.222 4.550 -0.000 0.000 0.327 27 Y C -0.060 175.540 175.900 -0.501 0.000 1.163 27 Y CA -1.047 56.828 58.100 -0.374 0.000 1.219 27 Y CB 1.012 39.140 38.460 -0.555 0.000 1.308 27 Y HN 0.321 nan 8.280 nan 0.000 0.503 28 Y N 0.913 121.234 120.300 0.034 0.000 2.367 28 Y HA 0.305 4.855 4.550 -0.000 0.000 0.342 28 Y C -1.024 174.835 175.900 -0.068 0.000 0.979 28 Y CA -0.640 57.527 58.100 0.111 0.000 1.161 28 Y CB 0.199 38.784 38.460 0.209 0.000 1.155 28 Y HN 0.354 nan 8.280 nan 0.000 0.503 29 Y N 2.308 122.823 120.300 0.358 0.000 2.419 29 Y HA 0.390 4.940 4.550 -0.000 0.000 0.328 29 Y C 0.001 175.972 175.900 0.119 0.000 1.162 29 Y CA -1.244 57.002 58.100 0.243 0.000 1.174 29 Y CB 1.045 39.588 38.460 0.137 0.000 1.228 29 Y HN 0.396 nan 8.280 nan 0.000 0.473 30 L N 3.283 124.587 121.223 0.137 0.000 2.384 30 L HA 0.221 4.561 4.340 -0.000 0.000 0.258 30 L C -0.337 176.369 176.870 -0.274 0.000 1.266 30 L CA 0.254 54.847 54.840 -0.412 0.000 1.162 30 L CB -0.306 41.363 42.059 -0.651 0.000 1.375 30 L HN 0.571 nan 8.230 nan 0.000 0.420 31 Q N 1.927 121.682 119.800 -0.075 0.000 2.294 31 Q HA 0.200 4.540 4.340 -0.000 0.000 0.264 31 Q C -1.475 174.480 176.000 -0.074 0.000 0.992 31 Q CA -0.685 55.035 55.803 -0.138 0.000 0.747 31 Q CB 2.214 30.919 28.738 -0.054 0.000 1.262 31 Q HN 0.295 nan 8.270 nan 0.000 0.452 32 D N 2.890 123.213 120.400 -0.129 0.000 2.392 32 D HA 0.208 4.848 4.640 -0.000 0.000 0.228 32 D C -0.222 175.939 176.300 -0.231 0.000 1.074 32 D CA -0.223 53.700 54.000 -0.128 0.000 0.838 32 D CB 0.998 41.673 40.800 -0.209 0.000 1.067 32 D HN 0.655 nan 8.370 nan 0.000 0.511 33 N N 1.143 119.763 118.700 -0.134 0.000 2.412 33 N HA -0.052 4.688 4.740 -0.000 0.000 0.184 33 N C 1.388 176.833 175.510 -0.107 0.000 1.101 33 N CA 0.557 53.540 53.050 -0.111 0.000 0.881 33 N CB 0.457 38.920 38.487 -0.040 0.000 0.969 33 N HN 0.487 nan 8.380 nan 0.000 0.459 34 T N -1.773 112.704 114.554 -0.127 0.000 3.088 34 T HA 0.122 4.472 4.350 -0.000 0.000 0.259 34 T C 0.674 175.257 174.700 -0.195 0.000 1.122 34 T CA 0.127 62.154 62.100 -0.121 0.000 1.095 34 T CB 0.110 68.922 68.868 -0.094 0.000 0.930 34 T HN -0.006 nan 8.240 nan 0.000 0.508 35 R N 1.201 121.508 120.500 -0.321 0.000 2.320 35 R HA 0.561 4.901 4.340 -0.000 0.000 0.319 35 R C 1.213 177.177 176.300 -0.559 0.000 0.969 35 R CA -0.135 55.593 56.100 -0.620 0.000 0.857 35 R CB 1.173 30.866 30.300 -1.012 0.000 1.160 35 R HN 0.362 nan 8.270 nan 0.000 0.491 36 G N 2.759 111.375 108.800 -0.307 0.000 2.611 36 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.301 36 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.301 36 G C 0.157 175.021 174.900 -0.059 0.000 1.233 36 G CA 0.443 45.501 45.100 -0.070 0.000 0.993 36 G HN 0.628 nan 8.290 nan 0.000 0.553 37 D N 3.015 123.411 120.400 -0.007 0.000 2.324 37 D HA 0.435 5.075 4.640 -0.000 0.000 0.235 37 D C 1.302 177.675 176.300 0.122 0.000 1.095 37 D CA 1.883 55.919 54.000 0.061 0.000 0.871 37 D CB -0.328 40.524 40.800 0.088 0.000 0.906 37 D HN 1.710 nan 8.370 nan 0.000 0.522 38 G N 0.427 109.202 108.800 -0.042 0.000 2.629 38 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.686 38 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.686 38 G C -0.837 173.899 174.900 -0.274 0.000 1.232 38 G CA -0.959 43.997 45.100 -0.241 0.000 0.803 38 G HN 0.144 nan 8.290 nan 0.000 0.638 39 I N 0.502 120.785 120.570 -0.479 0.000 2.406 39 I HA 0.578 4.748 4.170 -0.000 0.000 0.290 39 I C -0.616 175.290 176.117 -0.352 0.000 0.999 39 I CA -0.648 60.512 61.300 -0.233 0.000 1.124 39 I CB 1.520 39.371 38.000 -0.248 0.000 1.289 39 I HN 0.337 nan 8.210 nan 0.000 0.441 40 F N 3.383 123.451 119.950 0.195 0.000 2.477 40 F HA 0.447 4.974 4.527 -0.000 0.000 0.335 40 F C 0.252 176.138 175.800 0.143 0.000 1.130 40 F CA -0.633 57.441 58.000 0.124 0.000 0.948 40 F CB 2.092 41.171 39.000 0.131 0.000 1.154 40 F HN 0.225 nan 8.300 nan 0.000 0.439 41 T N 2.969 117.602 114.554 0.132 0.000 2.797 41 T HA 0.528 4.878 4.350 -0.000 0.000 0.279 41 T C -1.108 173.648 174.700 0.093 0.000 0.991 41 T CA -0.587 61.616 62.100 0.171 0.000 0.979 41 T CB 0.634 69.541 68.868 0.065 0.000 0.943 41 T HN 0.305 nan 8.240 nan 0.000 0.444 42 Y N 0.738 121.222 120.300 0.306 0.000 2.524 42 Y HA 0.437 4.987 4.550 -0.000 0.000 0.344 42 Y C 0.203 176.336 175.900 0.390 0.000 1.012 42 Y CA -1.276 57.017 58.100 0.323 0.000 1.068 42 Y CB 1.351 39.931 38.460 0.199 0.000 1.249 42 Y HN 0.459 nan 8.280 nan 0.000 0.468 43 D N 1.262 121.957 120.400 0.492 0.000 2.347 43 D HA 0.355 4.995 4.640 -0.000 0.000 0.235 43 D C 0.227 176.666 176.300 0.232 0.000 1.149 43 D CA 0.040 54.234 54.000 0.325 0.000 0.850 43 D CB 1.557 42.300 40.800 -0.096 0.000 1.061 43 D HN 0.692 nan 8.370 nan 0.000 0.487 44 A N 4.083 127.048 122.820 0.242 0.000 2.218 44 A HA 0.055 4.375 4.320 -0.000 0.000 0.209 44 A C 0.909 178.551 177.584 0.095 0.000 1.168 44 A CA 0.030 52.173 52.037 0.178 0.000 0.804 44 A CB -0.298 18.845 19.000 0.238 0.000 0.834 44 A HN 0.735 nan 8.150 nan 0.000 0.482 45 K N -1.861 118.561 120.400 0.037 0.000 3.035 45 K HA -0.289 4.031 4.320 -0.000 0.000 0.262 45 K C -0.563 175.977 176.600 -0.100 0.000 1.024 45 K CA 0.899 57.112 56.287 -0.124 0.000 0.748 45 K CB -2.574 29.889 32.500 -0.063 0.000 1.247 45 K HN 0.749 nan 8.250 nan 0.000 0.482 46 Y N -2.933 117.454 120.300 0.145 0.000 4.668 46 Y HA -0.365 4.184 4.550 -0.000 0.000 0.234 46 Y C 0.869 176.757 175.900 -0.020 0.000 1.056 46 Y CA 0.615 58.761 58.100 0.077 0.000 2.025 46 Y CB -1.190 37.314 38.460 0.073 0.000 1.613 46 Y HN 0.323 nan 8.280 nan 0.000 0.653 47 R N 0.019 120.560 120.500 0.068 0.000 2.944 47 R HA 0.548 4.887 4.340 -0.000 0.000 0.233 47 R C 1.219 177.395 176.300 -0.207 0.000 1.346 47 R CA 0.189 56.266 56.100 -0.039 0.000 1.082 47 R CB 0.616 30.915 30.300 -0.002 0.000 1.434 47 R HN 0.148 nan 8.270 nan 0.000 0.510 48 T N -3.510 110.925 114.554 -0.199 0.000 3.044 48 T HA 0.106 4.456 4.350 -0.000 0.000 0.260 48 T C 0.501 175.230 174.700 0.048 0.000 1.019 48 T CA -0.123 61.844 62.100 -0.221 0.000 0.921 48 T CB 0.204 68.932 68.868 -0.234 0.000 1.053 48 T HN 0.278 nan 8.240 nan 0.000 0.533 49 T N 3.008 117.575 114.554 0.022 0.000 2.794 49 T HA 0.583 4.933 4.350 -0.000 0.000 0.296 49 T C -0.409 174.320 174.700 0.048 0.000 0.949 49 T CA -0.219 61.900 62.100 0.032 0.000 1.101 49 T CB 0.409 69.282 68.868 0.008 0.000 0.905 49 T HN 0.286 nan 8.240 nan 0.000 0.516 50 L N 5.444 126.678 121.223 0.018 0.000 2.333 50 L HA 0.447 4.787 4.340 -0.000 0.000 0.269 50 L C -0.995 175.807 176.870 -0.114 0.000 1.010 50 L CA -1.983 52.836 54.840 -0.034 0.000 0.818 50 L CB 1.993 44.019 42.059 -0.055 0.000 1.306 50 L HN 0.471 nan 8.230 nan 0.000 0.430 51 P HA 0.165 nan 4.420 nan 0.000 0.240 51 P C 0.533 177.751 177.300 -0.138 0.000 1.190 51 P CA 0.638 63.537 63.100 -0.334 0.000 0.781 51 P CB 0.686 31.838 31.700 -0.912 0.000 0.931 52 G N -0.266 108.512 108.800 -0.035 0.000 2.451 52 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.208 52 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.208 52 G C -0.863 174.151 174.900 0.189 0.000 1.248 52 G CA -0.370 44.784 45.100 0.089 0.000 0.989 52 G HN 0.232 nan 8.290 nan 0.000 0.559 53 S N -0.312 115.532 115.700 0.240 0.000 2.509 53 S HA 0.611 5.081 4.470 -0.000 0.000 0.297 53 S C 0.165 174.939 174.600 0.289 0.000 1.118 53 S CA -0.460 57.877 58.200 0.228 0.000 1.074 53 S CB 1.637 64.870 63.200 0.055 0.000 1.038 53 S HN 1.131 nan 8.310 nan 0.000 0.498 54 L N 4.152 125.468 121.223 0.156 0.000 2.578 54 L HA 0.051 4.391 4.340 -0.000 0.000 0.279 54 L C -0.077 176.856 176.870 0.105 0.000 1.227 54 L CA 0.317 55.062 54.840 -0.157 0.000 0.900 54 L CB 0.056 42.010 42.059 -0.174 0.000 1.144 54 L HN 0.723 nan 8.230 nan 0.000 0.496 55 W N 6.901 128.187 121.300 -0.023 0.000 2.381 55 W HA 0.409 5.069 4.660 0.001 0.000 0.321 55 W C -0.548 176.061 176.519 0.150 0.000 1.407 55 W CA -0.386 57.008 57.345 0.081 0.000 1.274 55 W CB 0.500 29.981 29.460 0.036 0.000 1.310 55 W HN 0.719 nan 8.180 nan 0.000 0.551 56 A N 5.266 128.071 122.820 -0.025 0.000 2.318 56 A HA 0.474 4.794 4.320 -0.000 0.000 0.324 56 A C -1.418 176.088 177.584 -0.130 0.000 1.170 56 A CA -0.539 51.366 52.037 -0.219 0.000 0.810 56 A CB 1.412 20.089 19.000 -0.538 0.000 1.198 56 A HN 0.607 nan 8.150 nan 0.000 0.484 57 D N 1.062 121.499 120.400 0.063 0.000 2.819 57 D HA 0.599 5.239 4.640 -0.000 0.000 0.232 57 D C 0.739 177.196 176.300 0.261 0.000 1.160 57 D CA 0.171 54.232 54.000 0.101 0.000 0.858 57 D CB 1.969 42.695 40.800 -0.124 0.000 1.610 57 D HN 0.462 nan 8.370 nan 0.000 0.481 58 A N 2.634 125.596 122.820 0.236 0.000 1.968 58 A HA -0.025 4.295 4.320 -0.000 0.000 0.217 58 A C 1.165 178.902 177.584 0.255 0.000 1.169 58 A CA 1.640 53.840 52.037 0.271 0.000 0.638 58 A CB -0.140 18.958 19.000 0.163 0.000 0.812 58 A HN 0.685 nan 8.150 nan 0.000 0.446 59 D N -3.874 116.559 120.400 0.055 0.000 2.513 59 D HA 0.102 4.742 4.640 -0.000 0.000 0.222 59 D C 0.307 176.348 176.300 -0.432 0.000 1.210 59 D CA 0.038 53.996 54.000 -0.070 0.000 0.825 59 D CB -0.537 40.229 40.800 -0.057 0.000 1.037 59 D HN 0.119 nan 8.370 nan 0.000 0.506 60 N N 0.092 118.429 118.700 -0.604 0.000 2.878 60 N HA -0.184 4.556 4.740 -0.000 0.000 0.247 60 N C -1.107 174.219 175.510 -0.307 0.000 1.021 60 N CA 0.825 53.505 53.050 -0.618 0.000 0.873 60 N CB -0.975 36.866 38.487 -1.077 0.000 1.128 60 N HN 0.553 nan 8.380 nan 0.000 0.571 61 Q N -0.422 119.104 119.800 -0.456 0.000 2.330 61 Q HA 0.413 4.753 4.340 -0.000 0.000 0.269 61 Q C -0.677 175.038 176.000 -0.475 0.000 1.022 61 Q CA -0.389 55.286 55.803 -0.212 0.000 0.796 61 Q CB 0.839 29.622 28.738 0.075 0.000 1.271 61 Q HN 0.241 nan 8.270 nan 0.000 0.450 62 F N 1.977 121.708 119.950 -0.365 0.000 2.532 62 F HA 0.326 4.853 4.527 -0.000 0.000 0.313 62 F C 0.032 175.551 175.800 -0.469 0.000 1.301 62 F CA -0.385 57.422 58.000 -0.322 0.000 1.154 62 F CB 0.245 39.052 39.000 -0.322 0.000 1.335 62 F HN 0.543 nan 8.300 nan 0.000 0.542 63 F N 0.621 120.632 119.950 0.102 0.000 2.664 63 F HA 0.409 4.936 4.527 -0.000 0.000 0.303 63 F C 1.371 177.222 175.800 0.086 0.000 1.092 63 F CA -0.431 57.613 58.000 0.072 0.000 1.305 63 F CB -0.027 38.993 39.000 0.035 0.000 1.054 63 F HN 0.199 nan 8.300 nan 0.000 0.565 64 A N 0.238 123.201 122.820 0.238 0.000 2.302 64 A HA 0.388 4.708 4.320 -0.000 0.000 0.285 64 A C 1.543 179.267 177.584 0.234 0.000 1.105 64 A CA 0.250 52.423 52.037 0.227 0.000 0.816 64 A CB 0.376 19.521 19.000 0.242 0.000 1.067 64 A HN 0.298 nan 8.150 nan 0.000 0.489 65 S N 0.785 116.619 115.700 0.222 0.000 2.400 65 S HA -0.262 4.208 4.470 -0.000 0.000 0.232 65 S C 1.634 176.416 174.600 0.305 0.000 1.025 65 S CA 1.899 60.232 58.200 0.222 0.000 0.993 65 S CB -0.751 62.558 63.200 0.181 0.000 0.808 65 S HN 0.835 nan 8.310 nan 0.000 0.478 66 Y N 2.353 122.796 120.300 0.238 0.000 2.421 66 Y HA -0.050 4.500 4.550 0.000 0.000 0.292 66 Y C 1.481 177.705 175.900 0.540 0.000 1.136 66 Y CA 1.449 59.757 58.100 0.345 0.000 1.255 66 Y CB -0.185 38.406 38.460 0.218 0.000 0.991 66 Y HN 0.246 nan 8.280 nan 0.000 0.552 67 D N -0.008 120.650 120.400 0.430 0.000 2.162 67 D HA -0.109 4.531 4.640 -0.000 0.000 0.203 67 D C 2.330 178.564 176.300 -0.110 0.000 0.967 67 D CA 1.108 55.237 54.000 0.216 0.000 0.840 67 D CB -0.614 40.348 40.800 0.270 0.000 0.972 67 D HN 0.429 nan 8.370 nan 0.000 0.482 68 A N 2.063 124.867 122.820 -0.025 0.000 1.894 68 A HA -0.218 4.101 4.320 -0.000 0.000 0.220 68 A C -0.224 177.237 177.584 -0.204 0.000 1.237 68 A CA 2.278 54.257 52.037 -0.097 0.000 0.660 68 A CB -1.827 17.169 19.000 -0.007 0.000 0.835 68 A HN 0.221 nan 8.150 nan 0.000 0.461 69 P HA -0.054 nan 4.420 nan 0.000 0.218 69 P C 1.566 178.623 177.300 -0.404 0.000 1.149 69 P CA 1.825 64.740 63.100 -0.309 0.000 0.817 69 P CB -0.157 31.305 31.700 -0.397 0.000 0.785 70 A N -0.567 121.922 122.820 -0.552 0.000 1.897 70 A HA -0.097 4.223 4.320 -0.000 0.000 0.215 70 A C 2.319 179.557 177.584 -0.578 0.000 1.181 70 A CA 1.407 53.023 52.037 -0.702 0.000 0.620 70 A CB -1.608 16.437 19.000 -1.592 0.000 0.821 70 A HN 0.002 nan 8.150 nan 0.000 0.443 71 V N 0.902 120.478 119.914 -0.564 0.000 2.255 71 V HA -0.287 3.833 4.120 -0.000 0.000 0.247 71 V C 2.185 178.051 176.094 -0.380 0.000 1.051 71 V CA 2.479 64.491 62.300 -0.480 0.000 1.018 71 V CB -0.797 30.768 31.823 -0.430 0.000 0.641 71 V HN 0.504 nan 8.190 nan 0.000 0.445 72 D N 0.076 120.240 120.400 -0.394 0.000 2.149 72 D HA -0.055 4.585 4.640 -0.000 0.000 0.201 72 D C 2.208 178.301 176.300 -0.344 0.000 0.972 72 D CA 1.531 55.243 54.000 -0.480 0.000 0.835 72 D CB -0.352 40.250 40.800 -0.330 0.000 0.966 72 D HN 0.436 nan 8.370 nan 0.000 0.476 73 A N 0.259 122.898 122.820 -0.301 0.000 1.933 73 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 73 A C 2.035 179.579 177.584 -0.066 0.000 1.175 73 A CA 1.707 53.591 52.037 -0.254 0.000 0.628 73 A CB -0.732 18.095 19.000 -0.289 0.000 0.814 73 A HN 0.252 nan 8.150 nan 0.000 0.444 74 H N -2.197 116.756 119.070 -0.196 0.000 2.299 74 H HA -0.150 4.406 4.556 0.000 0.000 0.302 74 H C 1.858 177.113 175.328 -0.122 0.000 1.078 74 H CA 2.164 58.118 56.048 -0.157 0.000 1.323 74 H CB -0.507 29.097 29.762 -0.265 0.000 1.381 74 H HN 0.537 nan 8.280 nan 0.000 0.498 75 Y N -0.215 119.898 120.300 -0.312 0.000 2.181 75 Y HA -0.272 4.278 4.550 -0.000 0.000 0.288 75 Y C 1.876 177.664 175.900 -0.186 0.000 1.146 75 Y CA 1.894 59.797 58.100 -0.328 0.000 1.164 75 Y CB -0.486 37.705 38.460 -0.450 0.000 0.982 75 Y HN 0.328 nan 8.280 nan 0.000 0.515 76 Y N -1.207 119.126 120.300 0.055 0.000 2.439 76 Y HA -0.080 4.470 4.550 -0.000 0.000 0.292 76 Y C 2.473 178.362 175.900 -0.018 0.000 1.130 76 Y CA 0.044 58.157 58.100 0.021 0.000 1.254 76 Y CB -0.192 38.299 38.460 0.052 0.000 1.000 76 Y HN 0.230 nan 8.280 nan 0.000 0.554 77 A N 0.232 123.114 122.820 0.104 0.000 1.968 77 A HA -0.039 4.281 4.320 -0.000 0.000 0.217 77 A C 2.429 180.039 177.584 0.043 0.000 1.169 77 A CA 1.388 53.490 52.037 0.108 0.000 0.638 77 A CB -1.185 17.876 19.000 0.101 0.000 0.812 77 A HN 0.453 nan 8.150 nan 0.000 0.446 78 G N -0.215 108.508 108.800 -0.128 0.000 2.421 78 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.216 78 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.216 78 G C 1.489 176.372 174.900 -0.029 0.000 1.171 78 G CA 1.266 46.268 45.100 -0.163 0.000 0.775 78 G HN 0.298 nan 8.290 nan 0.000 0.543 79 V N 1.210 121.084 119.914 -0.066 0.000 2.332 79 V HA -0.210 3.910 4.120 -0.000 0.000 0.248 79 V C 3.146 179.342 176.094 0.171 0.000 1.055 79 V CA 2.383 64.731 62.300 0.080 0.000 1.038 79 V CB -1.098 30.799 31.823 0.123 0.000 0.651 79 V HN 0.397 nan 8.190 nan 0.000 0.450 80 T N -0.875 113.779 114.554 0.167 0.000 2.708 80 T HA -0.241 4.109 4.350 -0.000 0.000 0.266 80 T C 1.742 176.611 174.700 0.282 0.000 1.037 80 T CA 2.093 64.315 62.100 0.203 0.000 1.146 80 T CB -0.424 68.578 68.868 0.224 0.000 0.865 80 T HN 0.595 nan 8.240 nan 0.000 0.435 81 Y N 2.420 122.809 120.300 0.147 0.000 2.128 81 Y HA -0.225 4.325 4.550 -0.000 0.000 0.284 81 Y C 2.039 177.987 175.900 0.080 0.000 1.154 81 Y CA 1.691 59.864 58.100 0.121 0.000 1.149 81 Y CB -0.411 38.072 38.460 0.038 0.000 0.976 81 Y HN 0.121 nan 8.280 nan 0.000 0.505 82 D N -0.660 119.885 120.400 0.243 0.000 2.104 82 D HA -0.269 4.371 4.640 -0.000 0.000 0.194 82 D C 1.940 178.179 176.300 -0.101 0.000 0.994 82 D CA 1.943 56.025 54.000 0.136 0.000 0.830 82 D CB -1.007 39.932 40.800 0.230 0.000 0.959 82 D HN 0.574 nan 8.370 nan 0.000 0.452 83 Y N 0.249 120.314 120.300 -0.392 0.000 2.097 83 Y HA -0.341 4.209 4.550 -0.000 0.000 0.282 83 Y C 2.244 177.806 175.900 -0.564 0.000 1.152 83 Y CA 1.696 59.269 58.100 -0.878 0.000 1.136 83 Y CB -0.651 37.271 38.460 -0.897 0.000 0.975 83 Y HN -0.007 nan 8.280 nan 0.000 0.498 84 Y N 0.699 120.808 120.300 -0.318 0.000 2.207 84 Y HA -0.263 4.287 4.550 -0.000 0.000 0.287 84 Y C 2.709 178.338 175.900 -0.451 0.000 1.156 84 Y CA 2.041 59.905 58.100 -0.393 0.000 1.182 84 Y CB -0.308 38.002 38.460 -0.249 0.000 0.979 84 Y HN 0.145 nan 8.280 nan 0.000 0.521 85 K N 0.143 120.353 120.400 -0.317 0.000 2.007 85 K HA -0.149 4.171 4.320 -0.000 0.000 0.206 85 K C 1.618 178.063 176.600 -0.259 0.000 1.047 85 K CA 1.504 57.606 56.287 -0.308 0.000 0.937 85 K CB -0.089 32.201 32.500 -0.350 0.000 0.718 85 K HN 0.215 nan 8.250 nan 0.000 0.438 86 N N 0.483 119.026 118.700 -0.262 0.000 2.188 86 N HA -0.108 4.632 4.740 -0.000 0.000 0.184 86 N C 1.788 177.107 175.510 -0.317 0.000 1.018 86 N CA 1.074 53.996 53.050 -0.213 0.000 0.858 86 N CB -0.089 38.349 38.487 -0.082 0.000 0.989 86 N HN 0.039 nan 8.380 nan 0.000 0.426 87 V N 0.125 119.695 119.914 -0.573 0.000 2.599 87 V HA -0.032 4.088 4.120 -0.000 0.000 0.245 87 V C 1.180 176.725 176.094 -0.915 0.000 1.046 87 V CA 1.121 62.945 62.300 -0.793 0.000 1.065 87 V CB -0.233 30.877 31.823 -1.189 0.000 0.703 87 V HN 0.380 nan 8.190 nan 0.000 0.464 88 H N -1.132 117.595 119.070 -0.572 0.000 2.893 88 H HA 0.303 4.859 4.556 -0.000 0.000 0.270 88 H C 0.493 175.587 175.328 -0.390 0.000 1.095 88 H CA -0.117 55.571 56.048 -0.600 0.000 1.186 88 H CB 0.347 29.410 29.762 -1.164 0.000 1.562 88 H HN 0.334 nan 8.280 nan 0.000 0.536 89 N N 1.406 119.972 118.700 -0.224 0.000 2.754 89 N HA -0.185 4.555 4.740 -0.000 0.000 0.248 89 N C -0.057 175.392 175.510 -0.102 0.000 1.093 89 N CA 0.385 53.350 53.050 -0.141 0.000 0.699 89 N CB -0.524 37.904 38.487 -0.098 0.000 1.016 89 N HN 0.455 nan 8.380 nan 0.000 0.552 90 R N 0.819 121.248 120.500 -0.120 0.000 2.494 90 R HA 0.468 4.808 4.340 -0.000 0.000 0.305 90 R C -0.293 175.886 176.300 -0.201 0.000 0.959 90 R CA -0.566 55.477 56.100 -0.095 0.000 0.864 90 R CB 0.840 31.130 30.300 -0.017 0.000 1.159 90 R HN 0.097 nan 8.270 nan 0.000 0.446 91 L N 4.240 125.351 121.223 -0.186 0.000 2.259 91 L HA 0.255 4.595 4.340 -0.000 0.000 0.288 91 L C 0.470 177.209 176.870 -0.218 0.000 1.051 91 L CA -0.110 54.602 54.840 -0.212 0.000 0.824 91 L CB 1.086 43.094 42.059 -0.085 0.000 1.206 91 L HN 0.991 nan 8.230 nan 0.000 0.429 92 S N 2.131 117.654 115.700 -0.295 0.000 3.460 92 S HA -0.310 4.160 4.470 -0.000 0.000 0.637 92 S C 0.925 175.324 174.600 -0.335 0.000 2.505 92 S CA 1.194 59.285 58.200 -0.181 0.000 2.686 92 S CB -0.398 62.723 63.200 -0.132 0.000 0.330 92 S HN 0.744 nan 8.310 nan 0.000 1.795 93 Y N 1.259 121.404 120.300 -0.258 0.000 2.352 93 Y HA 0.111 4.661 4.550 -0.000 0.000 0.292 93 Y C 1.813 177.437 175.900 -0.460 0.000 1.136 93 Y CA 1.616 59.486 58.100 -0.384 0.000 1.227 93 Y CB -0.662 37.578 38.460 -0.367 0.000 0.991 93 Y HN 0.631 nan 8.280 nan 0.000 0.545 94 D N -0.769 119.144 120.400 -0.811 0.000 2.349 94 D HA 0.149 4.789 4.640 -0.000 0.000 0.214 94 D C 1.785 177.868 176.300 -0.362 0.000 1.063 94 D CA 0.496 54.042 54.000 -0.755 0.000 0.847 94 D CB -0.171 40.029 40.800 -0.999 0.000 0.933 94 D HN 0.528 nan 8.370 nan 0.000 0.513 95 G N 0.780 109.394 108.800 -0.310 0.000 2.148 95 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.254 95 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.254 95 G C 0.503 175.311 174.900 -0.154 0.000 0.981 95 G CA 0.201 45.189 45.100 -0.186 0.000 0.670 95 G HN 0.443 nan 8.290 nan 0.000 0.528 96 N N 0.426 119.007 118.700 -0.197 0.000 2.387 96 N HA 0.118 4.857 4.740 -0.000 0.000 0.259 96 N C 0.687 176.122 175.510 -0.126 0.000 1.369 96 N CA 0.279 53.249 53.050 -0.134 0.000 0.867 96 N CB -0.111 38.307 38.487 -0.114 0.000 1.341 96 N HN 0.526 nan 8.380 nan 0.000 0.495 97 N N 0.075 118.697 118.700 -0.129 0.000 2.776 97 N HA -0.185 4.555 4.740 -0.000 0.000 0.249 97 N C -0.178 175.270 175.510 -0.103 0.000 1.111 97 N CA 0.385 53.407 53.050 -0.047 0.000 0.711 97 N CB -0.637 37.862 38.487 0.020 0.000 1.065 97 N HN 0.310 nan 8.380 nan 0.000 0.556 98 A N 0.372 123.019 122.820 -0.288 0.000 2.531 98 A HA 0.517 4.837 4.320 -0.000 0.000 0.236 98 A C 0.998 178.528 177.584 -0.089 0.000 1.062 98 A CA 0.516 52.394 52.037 -0.266 0.000 0.760 98 A CB 0.317 18.925 19.000 -0.654 0.000 0.995 98 A HN 0.504 nan 8.150 nan 0.000 0.501 99 A N 1.862 124.747 122.820 0.109 0.000 2.498 99 A HA 0.480 4.800 4.320 -0.000 0.000 0.239 99 A C 0.059 177.891 177.584 0.413 0.000 1.068 99 A CA 0.046 52.260 52.037 0.295 0.000 0.766 99 A CB -0.204 19.015 19.000 0.364 0.000 1.003 99 A HN 0.729 nan 8.150 nan 0.000 0.497 100 I N 2.570 123.404 120.570 0.440 0.000 2.339 100 I HA 0.356 4.526 4.170 -0.000 0.000 0.290 100 I C 0.267 176.677 176.117 0.488 0.000 0.994 100 I CA -0.101 61.492 61.300 0.489 0.000 1.191 100 I CB 1.159 39.384 38.000 0.376 0.000 1.343 100 I HN 0.687 nan 8.210 nan 0.000 0.458 101 R N 4.416 125.187 120.500 0.452 0.000 2.670 101 R HA 0.757 5.097 4.340 -0.000 0.000 0.289 101 R C -1.124 175.380 176.300 0.341 0.000 0.965 101 R CA -0.833 55.539 56.100 0.453 0.000 0.899 101 R CB 2.296 32.805 30.300 0.349 0.000 1.173 101 R HN 0.468 nan 8.270 nan 0.000 0.456 102 S N 0.566 116.506 115.700 0.400 0.000 2.541 102 S HA 0.493 4.963 4.470 -0.000 0.000 0.280 102 S C -0.986 173.838 174.600 0.373 0.000 1.112 102 S CA -0.809 57.593 58.200 0.337 0.000 0.925 102 S CB 2.191 65.638 63.200 0.410 0.000 1.067 102 S HN 0.520 nan 8.310 nan 0.000 0.479 103 S N 1.681 117.518 115.700 0.228 0.000 2.502 103 S HA 0.713 5.183 4.470 -0.000 0.000 0.304 103 S C -0.098 174.649 174.600 0.246 0.000 1.097 103 S CA -0.814 57.531 58.200 0.242 0.000 1.045 103 S CB 1.465 64.741 63.200 0.127 0.000 1.019 103 S HN 0.724 nan 8.310 nan 0.000 0.481 104 V N 0.066 120.140 119.914 0.267 0.000 3.096 104 V HA 0.667 4.787 4.120 -0.000 0.000 0.319 104 V C 0.113 176.322 176.094 0.192 0.000 1.103 104 V CA -0.667 61.730 62.300 0.163 0.000 1.016 104 V CB 0.678 32.465 31.823 -0.060 0.000 1.090 104 V HN 1.013 nan 8.190 nan 0.000 0.449 105 H N -1.067 118.132 119.070 0.214 0.000 2.886 105 H HA -0.202 4.354 4.556 0.000 0.000 0.294 105 H C -0.556 174.930 175.328 0.263 0.000 1.246 105 H CA 1.159 57.322 56.048 0.192 0.000 1.142 105 H CB -1.760 27.959 29.762 -0.073 0.000 1.358 105 H HN 0.958 nan 8.280 nan 0.000 0.406 106 Y N 1.390 121.824 120.300 0.224 0.000 2.359 106 Y HA 0.344 4.895 4.550 0.001 0.000 0.334 106 Y C 1.137 177.136 175.900 0.166 0.000 1.058 106 Y CA 1.137 59.317 58.100 0.133 0.000 1.244 106 Y CB 0.709 39.177 38.460 0.012 0.000 1.187 106 Y HN 0.503 nan 8.280 nan 0.000 0.510 107 S N 3.820 119.303 115.700 -0.362 0.000 3.251 107 S HA -0.273 4.197 4.470 -0.000 0.000 0.633 107 S C -0.977 173.692 174.600 0.116 0.000 2.788 107 S CA 1.037 59.097 58.200 -0.232 0.000 3.086 107 S CB -0.738 62.159 63.200 -0.505 0.000 0.327 107 S HN 0.884 nan 8.310 nan 0.000 1.718 108 Q N 0.320 120.175 119.800 0.093 0.000 2.321 108 Q HA 0.522 4.862 4.340 -0.000 0.000 0.270 108 Q C 0.503 176.584 176.000 0.135 0.000 1.032 108 Q CA -0.144 55.704 55.803 0.074 0.000 0.784 108 Q CB 1.564 30.288 28.738 -0.024 0.000 1.264 108 Q HN 1.788 nan 8.270 nan 0.000 0.448 109 G N 2.092 110.982 108.800 0.150 0.000 2.390 109 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.299 109 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.299 109 G C -0.628 174.403 174.900 0.218 0.000 1.002 109 G CA 0.373 45.572 45.100 0.164 0.000 0.979 109 G HN 0.614 nan 8.290 nan 0.000 0.513 110 Y N 0.874 121.267 120.300 0.155 0.000 2.436 110 Y HA 0.375 4.925 4.550 -0.000 0.000 0.343 110 Y C 0.759 176.751 175.900 0.153 0.000 1.008 110 Y CA -1.042 57.166 58.100 0.180 0.000 1.241 110 Y CB 0.604 39.229 38.460 0.274 0.000 1.153 110 Y HN 0.176 nan 8.280 nan 0.000 0.521 111 N N 5.767 124.284 118.700 -0.305 0.000 2.802 111 N HA 0.061 4.801 4.740 -0.000 0.000 0.288 111 N C -0.772 174.437 175.510 -0.502 0.000 1.268 111 N CA 0.134 53.057 53.050 -0.211 0.000 1.035 111 N CB -0.389 38.188 38.487 0.151 0.000 1.353 111 N HN 0.627 nan 8.380 nan 0.000 0.522 112 N N -0.063 118.285 118.700 -0.586 0.000 3.277 112 N HA 0.662 5.402 4.740 -0.000 0.000 0.278 112 N C -1.810 173.722 175.510 0.037 0.000 1.544 112 N CA -0.422 52.419 53.050 -0.349 0.000 0.869 112 N CB 1.795 40.103 38.487 -0.299 0.000 1.584 112 N HN 0.063 nan 8.380 nan 0.000 0.564 113 A N 0.233 123.136 122.820 0.138 0.000 2.589 113 A HA 0.754 5.074 4.320 -0.000 0.000 0.296 113 A C -1.777 175.936 177.584 0.214 0.000 1.062 113 A CA -0.580 51.489 52.037 0.053 0.000 0.686 113 A CB 0.627 19.577 19.000 -0.083 0.000 1.282 113 A HN 0.592 nan 8.150 nan 0.000 0.404 114 F N -1.562 118.298 119.950 -0.150 0.000 2.741 114 F HA 0.750 5.277 4.527 -0.000 0.000 0.313 114 F C -1.097 174.672 175.800 -0.052 0.000 1.153 114 F CA -1.222 56.745 58.000 -0.055 0.000 0.931 114 F CB 1.163 40.114 39.000 -0.082 0.000 1.335 114 F HN 0.786 nan 8.300 nan 0.000 0.460 115 W N 4.680 125.975 121.300 -0.007 0.000 2.329 115 W HA 0.291 4.951 4.660 0.000 0.000 0.312 115 W C -0.529 175.978 176.519 -0.020 0.000 1.054 115 W CA -0.727 56.565 57.345 -0.088 0.000 1.245 115 W CB 1.657 31.087 29.460 -0.049 0.000 1.255 115 W HN 0.827 nan 8.180 nan 0.000 0.436 116 N N 4.141 122.504 118.700 -0.561 0.000 2.314 116 N HA 0.102 4.842 4.740 -0.000 0.000 0.200 116 N C 1.132 176.273 175.510 -0.616 0.000 1.135 116 N CA 0.653 53.466 53.050 -0.395 0.000 0.835 116 N CB 0.213 38.596 38.487 -0.173 0.000 0.989 116 N HN 0.789 nan 8.380 nan 0.000 0.478 117 G N -0.727 107.352 108.800 -1.201 0.000 2.234 117 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.235 117 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.235 117 G C 0.742 175.239 174.900 -0.672 0.000 0.997 117 G CA 0.591 45.330 45.100 -0.601 0.000 0.623 117 G HN 0.830 nan 8.290 nan 0.000 0.514 118 S N -0.689 114.327 115.700 -1.140 0.000 2.617 118 S HA 0.506 4.976 4.470 -0.000 0.000 0.278 118 S C 0.184 174.285 174.600 -0.831 0.000 1.082 118 S CA 0.895 58.641 58.200 -0.755 0.000 1.228 118 S CB 0.741 63.774 63.200 -0.278 0.000 1.130 118 S HN 1.497 nan 8.310 nan 0.000 0.621 119 E N 0.269 119.808 120.200 -1.103 0.000 2.429 119 E HA 0.599 4.949 4.350 -0.000 0.000 0.280 119 E C -1.538 174.820 176.600 -0.404 0.000 1.068 119 E CA -1.142 54.968 56.400 -0.483 0.000 0.837 119 E CB 0.699 30.238 29.700 -0.268 0.000 1.357 119 E HN 0.106 nan 8.360 nan 0.000 0.455 120 M N 1.246 120.808 119.600 -0.063 0.000 2.367 120 M HA 0.499 4.979 4.480 -0.000 0.000 0.339 120 M C -1.074 174.945 176.300 -0.468 0.000 1.177 120 M CA -0.938 54.270 55.300 -0.154 0.000 1.068 120 M CB 1.895 34.535 32.600 0.066 0.000 1.602 120 M HN 0.390 nan 8.290 nan 0.000 0.457 121 V N 2.898 122.264 119.914 -0.913 0.000 2.577 121 V HA 0.469 4.589 4.120 -0.000 0.000 0.303 121 V C -1.550 173.917 176.094 -1.045 0.000 1.042 121 V CA -0.825 60.840 62.300 -1.057 0.000 0.872 121 V CB 1.591 32.314 31.823 -1.833 0.000 0.998 121 V HN 0.656 nan 8.190 nan 0.000 0.423 122 Y N 1.911 122.083 120.300 -0.214 0.000 2.361 122 Y HA 0.739 5.289 4.550 -0.000 0.000 0.337 122 Y C 0.799 176.775 175.900 0.127 0.000 0.965 122 Y CA -0.514 57.566 58.100 -0.034 0.000 1.091 122 Y CB 2.175 40.623 38.460 -0.021 0.000 1.182 122 Y HN 0.775 nan 8.280 nan 0.000 0.450 123 G N 0.901 109.940 108.800 0.399 0.000 2.580 123 G HA2 0.157 4.117 3.960 -0.000 0.000 0.278 123 G HA3 0.157 4.117 3.960 -0.000 0.000 0.278 123 G C 0.032 175.122 174.900 0.316 0.000 1.212 123 G CA -0.499 44.912 45.100 0.519 0.000 0.939 123 G HN 0.676 nan 8.290 nan 0.000 0.513 124 D N -0.328 120.259 120.400 0.311 0.000 2.339 124 D HA 0.245 4.885 4.640 -0.000 0.000 0.217 124 D C 1.551 177.976 176.300 0.208 0.000 1.050 124 D CA 1.168 55.311 54.000 0.239 0.000 0.856 124 D CB 0.349 41.340 40.800 0.318 0.000 0.922 124 D HN 0.888 nan 8.370 nan 0.000 0.518 125 G N 2.238 111.160 108.800 0.204 0.000 2.814 125 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.677 125 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.677 125 G C 0.141 175.154 174.900 0.189 0.000 1.429 125 G CA 0.006 45.233 45.100 0.212 0.000 0.868 125 G HN 0.190 nan 8.290 nan 0.000 0.553 126 D N -0.894 119.611 120.400 0.175 0.000 2.349 126 D HA 0.412 5.052 4.640 -0.000 0.000 0.214 126 D C 1.839 178.195 176.300 0.094 0.000 1.063 126 D CA 1.143 55.214 54.000 0.119 0.000 0.847 126 D CB 0.068 40.922 40.800 0.091 0.000 0.933 126 D HN 2.166 nan 8.370 nan 0.000 0.513 127 G N -0.168 108.697 108.800 0.108 0.000 2.195 127 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.246 127 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.246 127 G C 0.901 175.822 174.900 0.036 0.000 0.984 127 G CA 0.444 45.589 45.100 0.076 0.000 0.633 127 G HN 0.429 nan 8.290 nan 0.000 0.525 128 Q N -1.678 118.133 119.800 0.019 0.000 2.527 128 Q HA 0.102 4.442 4.340 -0.000 0.000 0.252 128 Q C 2.360 178.282 176.000 -0.129 0.000 0.827 128 Q CA 0.927 56.703 55.803 -0.045 0.000 0.979 128 Q CB 0.453 29.172 28.738 -0.032 0.000 1.248 128 Q HN 0.442 nan 8.270 nan 0.000 0.578 129 T N -0.082 114.414 114.554 -0.096 0.000 2.937 129 T HA 0.162 4.512 4.350 -0.000 0.000 0.260 129 T C 0.104 174.596 174.700 -0.347 0.000 1.051 129 T CA 0.856 62.797 62.100 -0.265 0.000 1.141 129 T CB 0.204 69.008 68.868 -0.107 0.000 0.879 129 T HN -0.008 nan 8.240 nan 0.000 0.459 130 F N -0.100 119.851 119.950 0.000 0.000 2.626 130 F HA 0.558 5.085 4.527 -0.000 0.000 0.311 130 F C -0.620 175.211 175.800 0.052 0.000 1.088 130 F CA -1.715 56.316 58.000 0.053 0.000 0.949 130 F CB 1.802 40.858 39.000 0.093 0.000 1.322 130 F HN -0.071 nan 8.300 nan 0.000 0.461 131 I N -0.488 120.273 120.570 0.317 0.000 2.947 131 I HA 0.653 4.823 4.170 -0.000 0.000 0.314 131 I C -2.708 173.528 176.117 0.199 0.000 1.028 131 I CA -2.932 58.490 61.300 0.203 0.000 1.077 131 I CB 1.185 39.267 38.000 0.137 0.000 1.274 131 I HN 0.185 nan 8.210 nan 0.000 0.485 132 P HA 0.035 nan 4.420 nan 0.000 0.261 132 P C 0.402 177.747 177.300 0.074 0.000 1.183 132 P CA 0.122 63.280 63.100 0.096 0.000 0.761 132 P CB 0.370 32.092 31.700 0.037 0.000 0.785 133 L N 3.168 124.437 121.223 0.076 0.000 2.187 133 L HA -0.225 4.115 4.340 -0.000 0.000 0.213 133 L C 2.238 179.145 176.870 0.062 0.000 1.100 133 L CA 2.294 57.181 54.840 0.077 0.000 0.765 133 L CB -1.360 40.710 42.059 0.017 0.000 0.904 133 L HN 0.394 nan 8.230 nan 0.000 0.437 134 S N -1.117 114.509 115.700 -0.123 0.000 2.555 134 S HA -0.012 4.458 4.470 -0.000 0.000 0.230 134 S C 1.956 176.535 174.600 -0.035 0.000 0.978 134 S CA 0.481 58.463 58.200 -0.364 0.000 0.934 134 S CB -0.766 61.958 63.200 -0.794 0.000 0.766 134 S HN 0.396 nan 8.310 nan 0.000 0.533 135 G N 0.946 109.763 108.800 0.029 0.000 2.776 135 G HA2 0.370 4.330 3.960 -0.000 0.000 0.209 135 G HA3 0.370 4.330 3.960 -0.000 0.000 0.209 135 G C 0.471 175.462 174.900 0.152 0.000 1.145 135 G CA 0.131 45.306 45.100 0.124 0.000 0.791 135 G HN 0.688 nan 8.290 nan 0.000 0.530 136 G N -0.133 108.705 108.800 0.064 0.000 2.468 136 G HA2 0.431 4.391 3.960 -0.000 0.000 0.315 136 G HA3 0.431 4.391 3.960 -0.000 0.000 0.315 136 G C 0.701 175.479 174.900 -0.204 0.000 1.203 136 G CA -0.679 44.391 45.100 -0.050 0.000 0.962 136 G HN 0.118 nan 8.290 nan 0.000 0.476 137 I N 2.030 122.285 120.570 -0.525 0.000 2.264 137 I HA -0.203 3.966 4.170 -0.000 0.000 0.248 137 I C 2.366 178.328 176.117 -0.258 0.000 1.111 137 I CA 2.089 62.973 61.300 -0.693 0.000 1.382 137 I CB 0.211 37.652 38.000 -0.932 0.000 1.060 137 I HN 0.601 nan 8.210 nan 0.000 0.418 138 D N 0.211 120.510 120.400 -0.168 0.000 2.178 138 D HA -0.167 4.473 4.640 -0.000 0.000 0.201 138 D C 2.049 178.368 176.300 0.031 0.000 0.980 138 D CA 1.283 55.243 54.000 -0.068 0.000 0.842 138 D CB -0.937 39.818 40.800 -0.075 0.000 0.948 138 D HN 0.313 nan 8.370 nan 0.000 0.472 139 V N 0.607 120.542 119.914 0.036 0.000 2.270 139 V HA -0.215 3.905 4.120 -0.000 0.000 0.245 139 V C 2.834 179.068 176.094 0.232 0.000 1.043 139 V CA 1.336 63.701 62.300 0.108 0.000 1.014 139 V CB -0.391 31.494 31.823 0.104 0.000 0.645 139 V HN 0.134 nan 8.190 nan 0.000 0.447 140 V N 0.505 120.547 119.914 0.213 0.000 2.255 140 V HA -0.306 3.814 4.120 -0.000 0.000 0.247 140 V C 2.683 178.915 176.094 0.230 0.000 1.051 140 V CA 2.342 64.814 62.300 0.286 0.000 1.018 140 V CB -1.220 30.736 31.823 0.221 0.000 0.641 140 V HN 0.571 nan 8.190 nan 0.000 0.445 141 A N -1.014 121.888 122.820 0.138 0.000 2.015 141 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 141 A C 2.052 179.718 177.584 0.136 0.000 1.163 141 A CA 1.894 54.007 52.037 0.126 0.000 0.646 141 A CB -0.836 18.184 19.000 0.034 0.000 0.806 141 A HN 0.812 nan 8.150 nan 0.000 0.448 142 H N -0.198 118.906 119.070 0.056 0.000 2.321 142 H HA -0.112 4.444 4.556 -0.000 0.000 0.300 142 H C 1.963 177.277 175.328 -0.024 0.000 1.087 142 H CA 1.823 57.878 56.048 0.011 0.000 1.319 142 H CB 0.128 29.922 29.762 0.053 0.000 1.379 142 H HN 0.359 nan 8.280 nan 0.000 0.501 143 E N 0.867 121.232 120.200 0.276 0.000 2.038 143 E HA -0.171 4.178 4.350 -0.000 0.000 0.195 143 E C 2.447 179.081 176.600 0.056 0.000 1.000 143 E CA 0.645 57.204 56.400 0.266 0.000 0.803 143 E CB -0.585 29.278 29.700 0.271 0.000 0.750 143 E HN 0.452 nan 8.360 nan 0.000 0.448 144 L N 1.327 122.571 121.223 0.036 0.000 2.083 144 L HA -0.141 4.199 4.340 -0.000 0.000 0.209 144 L C 2.032 178.753 176.870 -0.250 0.000 1.083 144 L CA 1.635 56.414 54.840 -0.102 0.000 0.752 144 L CB -0.942 41.170 42.059 0.089 0.000 0.899 144 L HN 0.182 nan 8.230 nan 0.000 0.433 145 T N -1.833 112.638 114.554 -0.138 0.000 2.833 145 T HA -0.186 4.164 4.350 -0.000 0.000 0.269 145 T C 1.721 176.243 174.700 -0.297 0.000 1.054 145 T CA 0.871 62.866 62.100 -0.175 0.000 1.135 145 T CB -0.293 68.562 68.868 -0.022 0.000 0.869 145 T HN 0.375 nan 8.240 nan 0.000 0.466 146 H N 1.052 119.938 119.070 -0.306 0.000 2.387 146 H HA 0.102 4.658 4.556 0.000 0.000 0.299 146 H C 2.574 177.525 175.328 -0.629 0.000 1.090 146 H CA 1.251 57.095 56.048 -0.340 0.000 1.332 146 H CB -0.566 29.063 29.762 -0.222 0.000 1.386 146 H HN 0.413 nan 8.280 nan 0.000 0.516 147 A N 0.494 122.701 122.820 -1.021 0.000 1.877 147 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 147 A C 2.866 180.246 177.584 -0.340 0.000 1.186 147 A CA 1.714 52.977 52.037 -1.290 0.000 0.620 147 A CB -0.890 16.963 19.000 -1.912 0.000 0.822 147 A HN 0.215 nan 8.150 nan 0.000 0.443 148 V N -0.231 119.497 119.914 -0.310 0.000 2.255 148 V HA -0.270 3.850 4.120 -0.000 0.000 0.247 148 V C 2.757 178.793 176.094 -0.096 0.000 1.051 148 V CA 2.598 64.778 62.300 -0.199 0.000 1.018 148 V CB -1.446 30.145 31.823 -0.386 0.000 0.641 148 V HN 0.611 nan 8.190 nan 0.000 0.445 149 T N -0.567 113.924 114.554 -0.106 0.000 2.720 149 T HA -0.233 4.117 4.350 -0.000 0.000 0.268 149 T C 1.682 176.379 174.700 -0.005 0.000 1.037 149 T CA 1.798 63.878 62.100 -0.032 0.000 1.144 149 T CB -0.471 68.411 68.868 0.024 0.000 0.864 149 T HN 0.451 nan 8.240 nan 0.000 0.444 150 D N 0.080 120.471 120.400 -0.016 0.000 2.133 150 D HA -0.082 4.558 4.640 -0.000 0.000 0.195 150 D C 1.563 177.773 176.300 -0.149 0.000 0.997 150 D CA 1.219 55.190 54.000 -0.048 0.000 0.840 150 D CB -0.273 40.514 40.800 -0.021 0.000 0.947 150 D HN 0.513 nan 8.370 nan 0.000 0.452 151 Y N -0.231 120.070 120.300 0.002 0.000 2.544 151 Y HA 0.010 4.560 4.550 -0.000 0.000 0.286 151 Y C 2.133 178.015 175.900 -0.030 0.000 1.141 151 Y CA 0.955 59.064 58.100 0.014 0.000 1.299 151 Y CB 0.211 38.695 38.460 0.039 0.000 1.030 151 Y HN 0.059 nan 8.280 nan 0.000 0.543 152 T N -4.123 110.464 114.554 0.054 0.000 2.818 152 T HA 0.318 4.668 4.350 -0.000 0.000 0.177 152 T C 2.172 176.854 174.700 -0.031 0.000 0.760 152 T CA 0.355 62.443 62.100 -0.021 0.000 1.490 152 T CB -0.827 67.981 68.868 -0.101 0.000 2.555 152 T HN -0.049 nan 8.240 nan 0.000 0.410 153 A N 1.146 123.944 122.820 -0.037 0.000 1.908 153 A HA 0.344 4.664 4.320 -0.000 0.000 0.218 153 A C 2.230 179.818 177.584 0.007 0.000 1.181 153 A CA 2.092 54.123 52.037 -0.010 0.000 0.627 153 A CB -1.775 17.231 19.000 0.009 0.000 0.818 153 A HN 2.089 nan 8.150 nan 0.000 0.445 154 G N -1.529 107.277 108.800 0.010 0.000 2.176 154 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.252 154 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.252 154 G C 0.017 174.945 174.900 0.047 0.000 1.024 154 G CA 0.151 45.258 45.100 0.012 0.000 0.755 154 G HN 0.594 nan 8.290 nan 0.000 0.507 155 L N 0.207 121.476 121.223 0.075 0.000 2.667 155 L HA 0.106 4.446 4.340 -0.000 0.000 0.278 155 L C 1.571 178.521 176.870 0.134 0.000 1.217 155 L CA 0.049 54.954 54.840 0.108 0.000 0.935 155 L CB 0.169 42.312 42.059 0.139 0.000 1.193 155 L HN 0.210 nan 8.230 nan 0.000 0.493 156 I N 3.434 124.071 120.570 0.112 0.000 2.752 156 I HA -0.165 4.005 4.170 -0.000 0.000 0.287 156 I C 0.417 176.648 176.117 0.190 0.000 1.188 156 I CA 0.366 61.742 61.300 0.126 0.000 1.427 156 I CB 0.141 38.190 38.000 0.082 0.000 1.365 156 I HN 0.470 nan 8.210 nan 0.000 0.585 157 Y N 6.674 126.996 120.300 0.035 0.000 2.971 157 Y HA 0.104 4.654 4.550 -0.000 0.000 0.384 157 Y C 0.363 176.285 175.900 0.036 0.000 1.166 157 Y CA -0.143 57.978 58.100 0.035 0.000 1.973 157 Y CB -0.241 38.229 38.460 0.017 0.000 2.082 157 Y HN 0.528 nan 8.280 nan 0.000 0.420 158 Q N 0.566 120.359 119.800 -0.012 0.000 2.527 158 Q HA 0.332 4.672 4.340 -0.000 0.000 0.280 158 Q C -0.692 175.286 176.000 -0.036 0.000 0.977 158 Q CA -1.070 54.708 55.803 -0.043 0.000 0.837 158 Q CB 1.269 30.014 28.738 0.011 0.000 1.454 158 Q HN 0.349 nan 8.270 nan 0.000 0.387 159 N N 0.979 119.654 118.700 -0.043 0.000 1.220 159 N HA -0.285 4.455 4.740 -0.000 0.000 0.114 159 N C 0.657 176.145 175.510 -0.037 0.000 0.835 159 N CA 1.586 54.610 53.050 -0.043 0.000 0.863 159 N CB -0.856 37.606 38.487 -0.042 0.000 0.992 159 N HN 0.881 nan 8.380 nan 0.000 0.632 160 E N 0.328 120.490 120.200 -0.063 0.000 2.058 160 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 160 E C 1.904 178.598 176.600 0.157 0.000 0.997 160 E CA 2.033 58.397 56.400 -0.059 0.000 0.801 160 E CB -0.198 29.384 29.700 -0.196 0.000 0.746 160 E HN 0.626 nan 8.360 nan 0.000 0.450 161 S N 0.031 115.795 115.700 0.106 0.000 2.402 161 S HA -0.064 4.406 4.470 -0.000 0.000 0.229 161 S C 2.146 176.824 174.600 0.130 0.000 1.021 161 S CA 0.923 59.206 58.200 0.139 0.000 0.974 161 S CB -0.384 62.879 63.200 0.104 0.000 0.800 161 S HN 0.301 nan 8.310 nan 0.000 0.484 162 G N 1.314 110.146 108.800 0.054 0.000 2.408 162 G HA2 0.150 4.110 3.960 -0.000 0.000 0.217 162 G HA3 0.150 4.110 3.960 -0.000 0.000 0.217 162 G C 1.618 176.487 174.900 -0.051 0.000 1.150 162 G CA 0.584 45.647 45.100 -0.062 0.000 0.776 162 G HN 0.760 nan 8.290 nan 0.000 0.542 163 A N 0.470 123.333 122.820 0.072 0.000 2.015 163 A HA 0.159 4.479 4.320 -0.000 0.000 0.219 163 A C 2.324 180.038 177.584 0.217 0.000 1.163 163 A CA 0.875 53.010 52.037 0.164 0.000 0.646 163 A CB -0.251 18.946 19.000 0.328 0.000 0.806 163 A HN 0.373 nan 8.150 nan 0.000 0.448 164 I N -0.128 120.599 120.570 0.263 0.000 2.252 164 I HA -0.231 3.939 4.170 -0.000 0.000 0.245 164 I C 2.501 178.727 176.117 0.182 0.000 1.102 164 I CA 1.192 62.617 61.300 0.209 0.000 1.385 164 I CB -0.360 37.778 38.000 0.230 0.000 1.064 164 I HN 0.374 nan 8.210 nan 0.000 0.414 165 N N 0.964 119.780 118.700 0.193 0.000 2.036 165 N HA -0.240 4.500 4.740 -0.000 0.000 0.195 165 N C 1.790 177.435 175.510 0.224 0.000 1.037 165 N CA 1.706 54.898 53.050 0.237 0.000 0.855 165 N CB -0.087 38.606 38.487 0.344 0.000 1.033 165 N HN 0.240 nan 8.380 nan 0.000 0.423 166 E N 0.736 121.069 120.200 0.222 0.000 2.058 166 E HA -0.111 4.239 4.350 -0.000 0.000 0.194 166 E C 1.925 178.605 176.600 0.133 0.000 0.997 166 E CA 1.043 57.568 56.400 0.209 0.000 0.801 166 E CB -0.590 29.173 29.700 0.106 0.000 0.746 166 E HN 0.458 nan 8.360 nan 0.000 0.450 167 A N 1.772 124.659 122.820 0.113 0.000 1.873 167 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 167 A C 2.242 179.850 177.584 0.040 0.000 1.193 167 A CA 1.499 53.577 52.037 0.068 0.000 0.629 167 A CB -0.623 18.397 19.000 0.034 0.000 0.826 167 A HN 0.166 nan 8.150 nan 0.000 0.447 168 I N 0.089 120.717 120.570 0.096 0.000 2.151 168 I HA -0.212 3.958 4.170 -0.000 0.000 0.243 168 I C 2.656 178.848 176.117 0.125 0.000 1.080 168 I CA 1.977 63.383 61.300 0.178 0.000 1.339 168 I CB -1.571 36.578 38.000 0.249 0.000 1.039 168 I HN 0.250 nan 8.210 nan 0.000 0.409 169 S N 0.477 116.113 115.700 -0.106 0.000 2.382 169 S HA -0.171 4.299 4.470 -0.000 0.000 0.228 169 S C 1.576 176.105 174.600 -0.118 0.000 1.027 169 S CA 1.323 59.294 58.200 -0.381 0.000 0.991 169 S CB -0.185 62.231 63.200 -1.307 0.000 0.823 169 S HN 0.437 nan 8.310 nan 0.000 0.469 170 D N 1.065 121.501 120.400 0.061 0.000 2.149 170 D HA 0.040 4.680 4.640 -0.000 0.000 0.201 170 D C 1.853 178.170 176.300 0.029 0.000 0.972 170 D CA 0.650 54.752 54.000 0.170 0.000 0.835 170 D CB -0.285 40.619 40.800 0.173 0.000 0.966 170 D HN 0.340 nan 8.370 nan 0.000 0.476 171 I N 0.203 120.736 120.570 -0.061 0.000 2.113 171 I HA -0.280 3.890 4.170 -0.000 0.000 0.238 171 I C 2.104 178.018 176.117 -0.338 0.000 1.070 171 I CA 1.050 62.202 61.300 -0.246 0.000 1.332 171 I CB -0.248 37.469 38.000 -0.472 0.000 1.044 171 I HN -0.114 nan 8.210 nan 0.000 0.402 172 F N 0.659 120.580 119.950 -0.048 0.000 2.234 172 F HA -0.080 4.447 4.527 -0.000 0.000 0.299 172 F C 2.480 178.181 175.800 -0.165 0.000 1.087 172 F CA 1.326 59.276 58.000 -0.083 0.000 1.340 172 F CB -1.206 37.818 39.000 0.040 0.000 1.031 172 F HN 0.031 nan 8.300 nan 0.000 0.500 173 G N -1.283 107.542 108.800 0.042 0.000 2.422 173 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.218 173 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.218 173 G C 1.764 176.603 174.900 -0.102 0.000 1.140 173 G CA 1.348 46.442 45.100 -0.010 0.000 0.775 173 G HN 0.274 nan 8.290 nan 0.000 0.545 174 T N 1.172 115.654 114.554 -0.119 0.000 2.777 174 T HA 0.013 4.363 4.350 -0.000 0.000 0.266 174 T C 2.448 177.047 174.700 -0.169 0.000 1.040 174 T CA 0.671 62.663 62.100 -0.180 0.000 1.141 174 T CB -0.170 68.568 68.868 -0.216 0.000 0.868 174 T HN 0.158 nan 8.240 nan 0.000 0.444 175 L N 0.755 121.841 121.223 -0.229 0.000 2.042 175 L HA -0.103 4.237 4.340 -0.000 0.000 0.210 175 L C 2.628 179.314 176.870 -0.306 0.000 1.076 175 L CA 1.010 55.716 54.840 -0.224 0.000 0.749 175 L CB -0.769 41.172 42.059 -0.197 0.000 0.893 175 L HN 0.154 nan 8.230 nan 0.000 0.432 176 V N -0.214 119.393 119.914 -0.510 0.000 2.343 176 V HA -0.293 3.827 4.120 -0.000 0.000 0.247 176 V C 2.458 178.465 176.094 -0.145 0.000 1.051 176 V CA 1.966 63.987 62.300 -0.464 0.000 1.036 176 V CB -0.517 31.043 31.823 -0.439 0.000 0.654 176 V HN 0.494 nan 8.190 nan 0.000 0.451 177 E N -0.418 119.679 120.200 -0.171 0.000 2.110 177 E HA -0.225 4.125 4.350 -0.000 0.000 0.193 177 E C 2.074 178.548 176.600 -0.209 0.000 0.988 177 E CA 1.473 57.746 56.400 -0.212 0.000 0.804 177 E CB -0.136 29.388 29.700 -0.293 0.000 0.745 177 E HN 0.580 nan 8.360 nan 0.000 0.458 178 F N -0.465 119.381 119.950 -0.174 0.000 2.163 178 F HA -0.133 4.394 4.527 0.000 0.000 0.297 178 F C 2.201 177.985 175.800 -0.027 0.000 1.094 178 F CA 1.402 59.326 58.000 -0.126 0.000 1.290 178 F CB -0.584 38.316 39.000 -0.166 0.000 1.017 178 F HN 0.157 nan 8.300 nan 0.000 0.483 179 Y N 0.457 120.803 120.300 0.076 0.000 2.165 179 Y HA -0.277 4.273 4.550 -0.000 0.000 0.286 179 Y C 2.278 178.203 175.900 0.041 0.000 1.155 179 Y CA 1.649 59.791 58.100 0.070 0.000 1.164 179 Y CB -0.424 38.084 38.460 0.081 0.000 0.978 179 Y HN -0.024 nan 8.280 nan 0.000 0.513 180 A N -0.122 122.724 122.820 0.043 0.000 2.119 180 A HA -0.061 4.259 4.320 -0.000 0.000 0.216 180 A C 1.140 178.682 177.584 -0.069 0.000 1.152 180 A CA 0.924 52.934 52.037 -0.044 0.000 0.708 180 A CB -0.670 18.370 19.000 0.067 0.000 0.805 180 A HN 0.732 nan 8.150 nan 0.000 0.460 181 N N -1.775 116.882 118.700 -0.072 0.000 2.754 181 N HA -0.160 4.580 4.740 -0.000 0.000 0.248 181 N C -0.084 175.372 175.510 -0.090 0.000 1.093 181 N CA 1.045 54.048 53.050 -0.078 0.000 0.699 181 N CB -1.298 37.158 38.487 -0.051 0.000 1.016 181 N HN 0.551 nan 8.380 nan 0.000 0.552 182 K N 1.346 121.674 120.400 -0.119 0.000 2.265 182 K HA 0.171 4.490 4.320 -0.000 0.000 0.242 182 K C -0.138 176.370 176.600 -0.154 0.000 1.137 182 K CA -0.373 55.854 56.287 -0.100 0.000 1.082 182 K CB -0.216 32.235 32.500 -0.082 0.000 1.731 182 K HN 0.310 nan 8.250 nan 0.000 0.392 183 N N 2.164 120.781 118.700 -0.139 0.000 2.667 183 N HA -0.135 4.605 4.740 -0.000 0.000 0.263 183 N C -2.721 172.628 175.510 -0.269 0.000 1.038 183 N CA 0.378 53.337 53.050 -0.152 0.000 0.749 183 N CB -0.449 37.972 38.487 -0.109 0.000 0.892 183 N HN 0.454 nan 8.380 nan 0.000 0.546 184 P HA 0.288 nan 4.420 nan 0.000 0.272 184 P C -0.313 176.545 177.300 -0.736 0.000 1.230 184 P CA 0.108 62.694 63.100 -0.857 0.000 0.788 184 P CB 0.777 31.456 31.700 -1.700 0.000 0.949 185 D N -1.637 118.329 120.400 -0.725 0.000 2.713 185 D HA 0.232 4.872 4.640 -0.000 0.000 0.306 185 D C -1.188 174.970 176.300 -0.237 0.000 1.299 185 D CA -0.608 53.243 54.000 -0.248 0.000 0.823 185 D CB -0.235 40.526 40.800 -0.065 0.000 1.353 185 D HN 0.245 nan 8.370 nan 0.000 0.447 186 W N 0.082 121.465 121.300 0.140 0.000 3.194 186 W HA 0.325 4.985 4.660 -0.000 0.000 0.408 186 W C -0.111 176.426 176.519 0.031 0.000 1.072 186 W CA -0.366 57.059 57.345 0.134 0.000 1.953 186 W CB 0.541 30.110 29.460 0.183 0.000 1.091 186 W HN 0.050 nan 8.180 nan 0.000 0.699 187 E N 0.849 121.126 120.200 0.129 0.000 2.212 187 E HA 0.378 4.728 4.350 -0.000 0.000 0.270 187 E C -0.185 176.431 176.600 0.026 0.000 0.956 187 E CA -0.756 55.697 56.400 0.088 0.000 0.825 187 E CB 2.355 32.105 29.700 0.083 0.000 1.167 187 E HN -0.181 nan 8.360 nan 0.000 0.400 188 I N 0.571 121.149 120.570 0.013 0.000 2.378 188 I HA 0.274 4.444 4.170 -0.000 0.000 0.291 188 I C 1.211 177.289 176.117 -0.065 0.000 0.992 188 I CA -0.242 61.043 61.300 -0.024 0.000 1.154 188 I CB 0.556 38.548 38.000 -0.013 0.000 1.315 188 I HN 0.811 nan 8.210 nan 0.000 0.448 189 G N 5.284 114.066 108.800 -0.031 0.000 2.184 189 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.264 189 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.264 189 G C 1.035 175.972 174.900 0.061 0.000 0.975 189 G CA 0.551 45.663 45.100 0.020 0.000 0.642 189 G HN 0.743 nan 8.290 nan 0.000 0.536 190 E N 0.994 121.210 120.200 0.026 0.000 2.130 190 E HA -0.186 4.164 4.350 -0.000 0.000 0.196 190 E C 1.382 178.026 176.600 0.074 0.000 0.998 190 E CA 1.792 58.227 56.400 0.058 0.000 0.806 190 E CB -0.506 29.214 29.700 0.033 0.000 0.738 190 E HN 0.418 nan 8.360 nan 0.000 0.459 191 D N 0.648 121.080 120.400 0.054 0.000 2.269 191 D HA -0.063 4.577 4.640 -0.000 0.000 0.208 191 D C 1.808 178.165 176.300 0.096 0.000 0.963 191 D CA 1.626 55.657 54.000 0.052 0.000 0.864 191 D CB 0.427 41.239 40.800 0.020 0.000 0.936 191 D HN 0.357 nan 8.370 nan 0.000 0.505 192 V N -2.837 117.173 119.914 0.161 0.000 3.432 192 V HA 0.255 4.375 4.120 -0.000 0.000 0.298 192 V C 0.009 176.295 176.094 0.320 0.000 1.464 192 V CA -0.725 61.717 62.300 0.237 0.000 1.046 192 V CB -0.718 31.275 31.823 0.283 0.000 0.887 192 V HN -0.111 nan 8.190 nan 0.000 0.441 193 Y N 3.241 123.549 120.300 0.013 0.000 2.308 193 Y HA 0.486 5.036 4.550 -0.000 0.000 0.329 193 Y C 1.229 177.003 175.900 -0.210 0.000 1.111 193 Y CA 0.038 57.981 58.100 -0.261 0.000 1.179 193 Y CB 1.015 39.293 38.460 -0.303 0.000 1.201 193 Y HN 0.581 nan 8.280 nan 0.000 0.483 194 T N 5.170 119.289 114.554 -0.725 0.000 3.044 194 T HA -0.138 4.212 4.350 -0.000 0.000 0.450 194 T C -1.824 172.720 174.700 -0.261 0.000 0.774 194 T CA 0.147 61.909 62.100 -0.564 0.000 2.290 194 T CB -1.209 67.201 68.868 -0.763 0.000 1.648 194 T HN 0.681 nan 8.240 nan 0.000 0.569 195 P HA -0.103 nan 4.420 nan 0.000 0.219 195 P C 1.729 178.987 177.300 -0.070 0.000 1.144 195 P CA 1.680 64.740 63.100 -0.067 0.000 0.806 195 P CB -0.503 31.181 31.700 -0.026 0.000 0.771 196 G N -1.490 107.250 108.800 -0.100 0.000 2.683 196 G HA2 0.095 4.055 3.960 -0.000 0.000 0.213 196 G HA3 0.095 4.055 3.960 -0.000 0.000 0.213 196 G C 0.446 175.302 174.900 -0.074 0.000 1.142 196 G CA 0.104 45.160 45.100 -0.074 0.000 0.793 196 G HN 0.189 nan 8.290 nan 0.000 0.534 197 I N 0.862 121.369 120.570 -0.105 0.000 2.377 197 I HA 0.381 4.551 4.170 -0.000 0.000 0.293 197 I C 0.199 176.286 176.117 -0.049 0.000 0.987 197 I CA -0.517 60.737 61.300 -0.078 0.000 1.185 197 I CB 2.022 39.962 38.000 -0.099 0.000 1.341 197 I HN -0.222 nan 8.210 nan 0.000 0.455 198 S N 3.104 118.792 115.700 -0.021 0.000 2.632 198 S HA 0.553 5.023 4.470 -0.000 0.000 0.271 198 S C 1.134 175.746 174.600 0.020 0.000 1.260 198 S CA 0.323 58.522 58.200 -0.001 0.000 1.010 198 S CB 1.128 64.329 63.200 0.002 0.000 0.965 198 S HN 1.103 nan 8.310 nan 0.000 0.534 199 G N 1.883 110.703 108.800 0.033 0.000 2.220 199 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.269 199 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.269 199 G C -0.097 174.862 174.900 0.098 0.000 0.977 199 G CA 0.658 45.791 45.100 0.054 0.000 0.634 199 G HN 0.797 nan 8.290 nan 0.000 0.539 200 D N 0.077 120.547 120.400 0.116 0.000 2.549 200 D HA 0.787 5.427 4.640 -0.000 0.000 0.270 200 D C 0.464 176.875 176.300 0.184 0.000 1.181 200 D CA 0.121 54.245 54.000 0.207 0.000 1.070 200 D CB 1.260 42.183 40.800 0.206 0.000 1.154 200 D HN 1.067 nan 8.370 nan 0.000 0.602 201 S N -1.728 114.031 115.700 0.099 0.000 2.661 201 S HA 0.279 4.749 4.470 -0.000 0.000 0.268 201 S C 0.215 174.396 174.600 -0.699 0.000 1.162 201 S CA -0.737 57.397 58.200 -0.111 0.000 0.817 201 S CB 0.794 63.973 63.200 -0.035 0.000 1.141 201 S HN 0.344 nan 8.310 nan 0.000 0.477 202 L N 0.781 121.514 121.223 -0.816 0.000 2.072 202 L HA 0.460 4.800 4.340 -0.000 0.000 0.205 202 L C 0.837 177.299 176.870 -0.680 0.000 1.079 202 L CA 1.489 55.739 54.840 -0.984 0.000 0.752 202 L CB -0.418 41.226 42.059 -0.691 0.000 0.906 202 L HN 0.730 nan 8.230 nan 0.000 0.436 203 R N -1.891 118.394 120.500 -0.358 0.000 2.739 203 R HA 0.472 4.811 4.340 -0.000 0.000 0.271 203 R C -1.244 175.145 176.300 0.147 0.000 1.010 203 R CA -0.556 55.525 56.100 -0.032 0.000 0.897 203 R CB 1.856 32.171 30.300 0.024 0.000 1.236 203 R HN -0.060 nan 8.270 nan 0.000 0.466 204 S N 1.084 116.953 115.700 0.282 0.000 2.519 204 S HA 0.340 4.810 4.470 -0.000 0.000 0.309 204 S C 0.556 175.194 174.600 0.064 0.000 1.100 204 S CA -0.579 57.730 58.200 0.180 0.000 1.059 204 S CB 1.260 64.529 63.200 0.115 0.000 1.008 204 S HN 0.643 nan 8.310 nan 0.000 0.478 205 M N 2.782 122.413 119.600 0.051 0.000 2.357 205 M HA -0.002 4.478 4.480 -0.000 0.000 0.266 205 M C 2.295 178.427 176.300 -0.281 0.000 1.095 205 M CA 0.966 56.276 55.300 0.016 0.000 1.156 205 M CB -0.312 32.433 32.600 0.242 0.000 1.365 205 M HN 0.794 nan 8.290 nan 0.000 0.447 206 S N -0.575 114.826 115.700 -0.497 0.000 2.383 206 S HA -0.104 4.366 4.470 -0.000 0.000 0.227 206 S C 0.634 174.855 174.600 -0.631 0.000 1.026 206 S CA 1.158 58.661 58.200 -1.161 0.000 0.981 206 S CB -0.097 62.567 63.200 -0.893 0.000 0.818 206 S HN 0.410 nan 8.310 nan 0.000 0.472 207 D N 0.806 121.015 120.400 -0.318 0.000 2.411 207 D HA 0.389 5.029 4.640 -0.000 0.000 0.239 207 D C -2.543 173.681 176.300 -0.126 0.000 1.307 207 D CA -1.975 51.905 54.000 -0.200 0.000 0.930 207 D CB 1.490 42.180 40.800 -0.183 0.000 1.395 207 D HN -0.099 nan 8.370 nan 0.000 0.536 208 P HA -0.085 nan 4.420 nan 0.000 0.218 208 P C 1.234 178.539 177.300 0.008 0.000 1.148 208 P CA 1.030 64.140 63.100 0.017 0.000 0.822 208 P CB 0.260 31.991 31.700 0.052 0.000 0.784 209 A N 0.212 123.028 122.820 -0.007 0.000 2.070 209 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 209 A C 2.234 179.761 177.584 -0.096 0.000 1.159 209 A CA 1.497 53.530 52.037 -0.006 0.000 0.656 209 A CB -1.230 17.784 19.000 0.024 0.000 0.800 209 A HN 0.169 nan 8.150 nan 0.000 0.453 210 K N -1.284 118.974 120.400 -0.237 0.000 2.218 210 K HA -0.173 4.147 4.320 -0.000 0.000 0.205 210 K C 0.376 176.602 176.600 -0.623 0.000 1.046 210 K CA 1.673 57.683 56.287 -0.463 0.000 0.933 210 K CB -0.233 31.888 32.500 -0.633 0.000 0.728 210 K HN 0.678 nan 8.250 nan 0.000 0.454 211 Y N -1.267 119.037 120.300 0.006 0.000 2.682 211 Y HA 0.266 4.816 4.550 0.000 0.000 0.251 211 Y C 0.984 176.889 175.900 0.008 0.000 1.172 211 Y CA -0.223 57.881 58.100 0.006 0.000 1.186 211 Y CB 1.518 39.973 38.460 -0.008 0.000 1.216 211 Y HN 0.216 nan 8.280 nan 0.000 0.540 212 G N 0.127 108.976 108.800 0.081 0.000 2.157 212 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.248 212 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.248 212 G C -0.341 174.606 174.900 0.079 0.000 0.979 212 G CA 0.002 45.145 45.100 0.072 0.000 0.650 212 G HN 0.285 nan 8.290 nan 0.000 0.529 213 D N 1.448 121.907 120.400 0.099 0.000 2.283 213 D HA 0.474 5.114 4.640 -0.000 0.000 0.248 213 D C -2.041 174.329 176.300 0.117 0.000 1.072 213 D CA -1.199 52.864 54.000 0.104 0.000 0.929 213 D CB 1.358 42.230 40.800 0.120 0.000 1.182 213 D HN 0.131 nan 8.370 nan 0.000 0.433 214 P HA 0.087 nan 4.420 nan 0.000 0.271 214 P C -0.040 177.375 177.300 0.192 0.000 1.216 214 P CA -0.126 63.075 63.100 0.170 0.000 0.776 214 P CB 0.684 32.492 31.700 0.180 0.000 0.881 215 D N -0.464 120.094 120.400 0.263 0.000 2.540 215 D HA 0.078 4.718 4.640 -0.000 0.000 0.229 215 D C -0.123 176.478 176.300 0.502 0.000 1.250 215 D CA 0.113 54.306 54.000 0.321 0.000 0.817 215 D CB -0.260 40.725 40.800 0.308 0.000 1.060 215 D HN 0.380 nan 8.370 nan 0.000 0.508 216 H N -0.568 118.664 119.070 0.269 0.000 2.974 216 H HA 0.084 4.640 4.556 -0.000 0.000 0.366 216 H C -0.783 174.658 175.328 0.188 0.000 1.155 216 H CA -0.548 55.597 56.048 0.162 0.000 1.186 216 H CB 1.512 31.157 29.762 -0.197 0.000 1.799 216 H HN -0.178 nan 8.280 nan 0.000 0.541 217 Y N 3.082 123.238 120.300 -0.239 0.000 2.274 217 Y HA -0.241 4.309 4.550 -0.000 0.000 0.290 217 Y C 2.461 178.422 175.900 0.102 0.000 1.145 217 Y CA 2.367 60.472 58.100 0.009 0.000 1.203 217 Y CB 0.044 38.488 38.460 -0.026 0.000 0.984 217 Y HN 0.585 nan 8.280 nan 0.000 0.533 218 S N -0.723 115.132 115.700 0.259 0.000 2.474 218 S HA -0.145 4.325 4.470 -0.000 0.000 0.235 218 S C 1.466 176.079 174.600 0.021 0.000 0.997 218 S CA 1.100 59.369 58.200 0.114 0.000 0.949 218 S CB -0.398 62.904 63.200 0.170 0.000 0.766 218 S HN 0.515 nan 8.310 nan 0.000 0.517 219 K N 0.732 121.176 120.400 0.074 0.000 2.410 219 K HA 0.237 4.557 4.320 -0.000 0.000 0.200 219 K C 0.578 177.211 176.600 0.054 0.000 1.023 219 K CA -0.344 55.984 56.287 0.068 0.000 1.149 219 K CB 0.228 32.799 32.500 0.118 0.000 0.859 219 K HN 0.285 nan 8.250 nan 0.000 0.514 220 R N 1.291 121.769 120.500 -0.037 0.000 2.537 220 R HA -0.028 4.312 4.340 -0.000 0.000 0.280 220 R C -0.775 175.522 176.300 -0.005 0.000 1.058 220 R CA -0.154 55.919 56.100 -0.044 0.000 1.057 220 R CB 0.267 30.381 30.300 -0.310 0.000 0.973 220 R HN 0.001 nan 8.270 nan 0.000 0.438 221 Y N 3.391 123.660 120.300 -0.051 0.000 2.402 221 Y HA 0.025 4.575 4.550 -0.000 0.000 0.333 221 Y C 0.751 176.612 175.900 -0.064 0.000 1.076 221 Y CA 0.428 58.507 58.100 -0.035 0.000 1.299 221 Y CB 1.113 39.574 38.460 0.001 0.000 1.197 221 Y HN 0.711 nan 8.280 nan 0.000 0.517 222 T N 1.330 115.449 114.554 -0.724 0.000 3.044 222 T HA 0.351 4.701 4.350 -0.000 0.000 0.260 222 T C 1.001 175.317 174.700 -0.641 0.000 1.019 222 T CA 0.154 61.925 62.100 -0.548 0.000 0.921 222 T CB -0.215 68.464 68.868 -0.314 0.000 1.053 222 T HN 0.721 nan 8.240 nan 0.000 0.533 223 G N 0.912 108.978 108.800 -1.224 0.000 2.486 223 G HA2 0.365 4.325 3.960 -0.000 0.000 0.272 223 G HA3 0.365 4.325 3.960 -0.000 0.000 0.272 223 G C 0.567 175.286 174.900 -0.302 0.000 1.426 223 G CA 0.253 44.937 45.100 -0.693 0.000 1.058 223 G HN 0.232 nan 8.290 nan 0.000 0.531 224 T N -0.057 114.486 114.554 -0.018 0.000 2.971 224 T HA 0.138 4.488 4.350 -0.000 0.000 0.252 224 T C 1.011 175.809 174.700 0.163 0.000 1.022 224 T CA 0.110 62.249 62.100 0.065 0.000 0.980 224 T CB 0.043 68.932 68.868 0.035 0.000 1.044 224 T HN 0.640 nan 8.240 nan 0.000 0.501 225 Q N 1.417 121.386 119.800 0.282 0.000 2.492 225 Q HA 0.305 4.645 4.340 -0.000 0.000 0.238 225 Q C -0.156 175.956 176.000 0.188 0.000 1.045 225 Q CA -0.277 55.643 55.803 0.195 0.000 0.934 225 Q CB 0.048 28.861 28.738 0.125 0.000 1.276 225 Q HN 0.016 nan 8.270 nan 0.000 0.521 226 D N 0.341 120.814 120.400 0.120 0.000 2.708 226 D HA -0.264 4.376 4.640 -0.000 0.000 0.236 226 D C -1.000 175.366 176.300 0.110 0.000 1.146 226 D CA 1.334 55.414 54.000 0.133 0.000 0.662 226 D CB -1.761 39.114 40.800 0.125 0.000 1.059 226 D HN 0.948 nan 8.370 nan 0.000 0.428 227 N N -1.357 117.400 118.700 0.095 0.000 2.725 227 N HA -0.199 4.541 4.740 -0.000 0.000 0.249 227 N C 0.811 176.342 175.510 0.035 0.000 1.103 227 N CA 1.395 54.476 53.050 0.051 0.000 0.707 227 N CB -1.103 37.382 38.487 -0.004 0.000 1.043 227 N HN 0.884 nan 8.380 nan 0.000 0.553 228 G N -1.812 107.049 108.800 0.101 0.000 2.130 228 G HA2 0.146 4.106 3.960 -0.000 0.000 0.216 228 G HA3 0.146 4.106 3.960 -0.000 0.000 0.216 228 G C 0.697 175.708 174.900 0.184 0.000 0.999 228 G CA 0.389 45.545 45.100 0.092 0.000 0.686 228 G HN 1.460 nan 8.290 nan 0.000 0.515 229 G N -1.842 107.116 108.800 0.265 0.000 2.212 229 G HA2 0.009 3.969 3.960 -0.000 0.000 0.255 229 G HA3 0.009 3.969 3.960 -0.000 0.000 0.255 229 G C 1.829 176.791 174.900 0.103 0.000 1.062 229 G CA 1.485 46.731 45.100 0.243 0.000 0.815 229 G HN 2.194 nan 8.290 nan 0.000 0.497 230 V N -2.505 117.392 119.914 -0.028 0.000 2.392 230 V HA -0.155 3.965 4.120 -0.000 0.000 0.249 230 V C 2.024 178.005 176.094 -0.188 0.000 1.059 230 V CA 2.722 64.899 62.300 -0.205 0.000 1.051 230 V CB -0.584 30.895 31.823 -0.573 0.000 0.658 230 V HN 0.561 nan 8.190 nan 0.000 0.455 231 H N -0.745 118.348 119.070 0.038 0.000 2.539 231 H HA 0.415 4.971 4.556 -0.000 0.000 0.269 231 H C 1.764 177.132 175.328 0.068 0.000 0.980 231 H CA 1.040 57.136 56.048 0.080 0.000 1.152 231 H CB 0.072 29.880 29.762 0.075 0.000 1.407 231 H HN 0.458 nan 8.280 nan 0.000 0.564 232 I N -0.113 120.547 120.570 0.150 0.000 2.681 232 I HA -0.110 4.060 4.170 -0.000 0.000 0.247 232 I C 1.390 177.601 176.117 0.157 0.000 1.091 232 I CA 0.361 61.726 61.300 0.108 0.000 1.442 232 I CB 0.037 38.040 38.000 0.005 0.000 1.219 232 I HN 0.132 nan 8.210 nan 0.000 0.451 233 N N 1.102 119.923 118.700 0.202 0.000 2.573 233 N HA -0.096 4.644 4.740 -0.000 0.000 0.187 233 N C 1.853 177.572 175.510 0.348 0.000 1.107 233 N CA 1.238 54.467 53.050 0.297 0.000 0.918 233 N CB -0.279 38.400 38.487 0.320 0.000 0.966 233 N HN 0.380 nan 8.380 nan 0.000 0.448 234 S N -0.543 115.294 115.700 0.229 0.000 2.423 234 S HA -0.050 4.420 4.470 -0.000 0.000 0.231 234 S C 2.131 176.801 174.600 0.117 0.000 1.014 234 S CA 0.951 59.251 58.200 0.167 0.000 0.965 234 S CB -0.809 62.475 63.200 0.140 0.000 0.785 234 S HN 0.318 nan 8.310 nan 0.000 0.495 235 G N 2.045 110.927 108.800 0.137 0.000 2.450 235 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.220 235 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.220 235 G C 1.310 176.253 174.900 0.072 0.000 1.130 235 G CA 0.970 46.131 45.100 0.101 0.000 0.760 235 G HN 0.589 nan 8.290 nan 0.000 0.557 236 I N 0.776 121.415 120.570 0.115 0.000 2.179 236 I HA -0.137 4.033 4.170 -0.000 0.000 0.242 236 I C 2.409 178.464 176.117 -0.103 0.000 1.088 236 I CA 0.632 61.982 61.300 0.083 0.000 1.357 236 I CB -0.112 38.056 38.000 0.279 0.000 1.051 236 I HN 0.066 nan 8.210 nan 0.000 0.409 237 I N 0.621 121.075 120.570 -0.195 0.000 2.353 237 I HA -0.185 3.985 4.170 -0.000 0.000 0.248 237 I C 2.120 178.137 176.117 -0.167 0.000 1.119 237 I CA 1.340 62.492 61.300 -0.247 0.000 1.417 237 I CB -1.716 36.133 38.000 -0.252 0.000 1.078 237 I HN 0.282 nan 8.210 nan 0.000 0.421 238 N N 1.390 120.037 118.700 -0.088 0.000 2.166 238 N HA -0.204 4.536 4.740 -0.000 0.000 0.186 238 N C 1.825 177.294 175.510 -0.069 0.000 1.019 238 N CA 1.087 54.103 53.050 -0.057 0.000 0.856 238 N CB -0.273 38.224 38.487 0.016 0.000 0.993 238 N HN 0.268 nan 8.380 nan 0.000 0.426 239 K N 1.345 121.687 120.400 -0.097 0.000 2.026 239 K HA 0.042 4.362 4.320 -0.000 0.000 0.208 239 K C 1.835 178.337 176.600 -0.164 0.000 1.048 239 K CA 1.407 57.611 56.287 -0.137 0.000 0.929 239 K CB -0.696 31.696 32.500 -0.181 0.000 0.713 239 K HN 0.093 nan 8.250 nan 0.000 0.439 240 A N 0.584 123.255 122.820 -0.248 0.000 1.892 240 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 240 A C 2.404 179.814 177.584 -0.291 0.000 1.188 240 A CA 2.477 54.292 52.037 -0.370 0.000 0.631 240 A CB -1.264 17.284 19.000 -0.754 0.000 0.822 240 A HN 0.463 nan 8.150 nan 0.000 0.447 241 A N -1.585 121.079 122.820 -0.260 0.000 1.877 241 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 241 A C 2.174 179.626 177.584 -0.219 0.000 1.186 241 A CA 1.671 53.545 52.037 -0.271 0.000 0.620 241 A CB -0.907 17.841 19.000 -0.420 0.000 0.822 241 A HN 0.839 nan 8.150 nan 0.000 0.443 242 Y N 0.513 120.613 120.300 -0.333 0.000 2.207 242 Y HA -0.178 4.372 4.550 -0.000 0.000 0.287 242 Y C 1.859 177.442 175.900 -0.529 0.000 1.156 242 Y CA 1.878 59.610 58.100 -0.613 0.000 1.182 242 Y CB -0.235 37.914 38.460 -0.518 0.000 0.979 242 Y HN 0.224 nan 8.280 nan 0.000 0.521 243 L N -0.285 120.698 121.223 -0.400 0.000 2.005 243 L HA -0.209 4.131 4.340 -0.000 0.000 0.207 243 L C 2.463 179.137 176.870 -0.327 0.000 1.072 243 L CA 1.427 56.045 54.840 -0.369 0.000 0.744 243 L CB -0.593 41.352 42.059 -0.189 0.000 0.895 243 L HN 0.244 nan 8.230 nan 0.000 0.433 244 I N -0.840 119.595 120.570 -0.224 0.000 2.194 244 I HA -0.369 3.801 4.170 -0.000 0.000 0.246 244 I C 2.833 178.838 176.117 -0.187 0.000 1.093 244 I CA 1.529 62.750 61.300 -0.132 0.000 1.355 244 I CB -0.338 37.656 38.000 -0.010 0.000 1.046 244 I HN 0.262 nan 8.210 nan 0.000 0.413 245 S N -0.018 115.511 115.700 -0.283 0.000 2.335 245 S HA -0.167 4.303 4.470 -0.000 0.000 0.216 245 S C 1.939 176.315 174.600 -0.373 0.000 1.032 245 S CA 1.254 59.282 58.200 -0.287 0.000 1.000 245 S CB 0.019 63.080 63.200 -0.231 0.000 0.928 245 S HN 0.380 nan 8.310 nan 0.000 0.434 246 Q N 0.204 119.613 119.800 -0.650 0.000 2.391 246 Q HA 0.317 4.657 4.340 -0.000 0.000 0.211 246 Q C 1.259 176.996 176.000 -0.439 0.000 0.908 246 Q CA 0.656 56.092 55.803 -0.611 0.000 0.920 246 Q CB -0.010 28.094 28.738 -1.057 0.000 1.056 246 Q HN 0.646 nan 8.270 nan 0.000 0.523 247 G N -0.086 108.465 108.800 -0.415 0.000 2.796 247 G HA2 0.170 4.130 3.960 -0.000 0.000 0.571 247 G HA3 0.170 4.130 3.960 -0.000 0.000 0.571 247 G C 0.029 174.800 174.900 -0.214 0.000 1.370 247 G CA -0.107 44.842 45.100 -0.252 0.000 0.856 247 G HN 0.766 nan 8.290 nan 0.000 0.538 248 G N -2.601 106.133 108.800 -0.110 0.000 2.361 248 G HA2 0.591 4.551 3.960 -0.000 0.000 0.331 248 G HA3 0.591 4.551 3.960 -0.000 0.000 0.331 248 G C -0.644 174.255 174.900 -0.003 0.000 1.324 248 G CA 0.507 45.576 45.100 -0.052 0.000 0.984 248 G HN 1.798 nan 8.290 nan 0.000 0.586 249 T N 0.480 115.051 114.554 0.029 0.000 2.770 249 T HA 0.623 4.973 4.350 -0.000 0.000 0.283 249 T C -0.823 173.948 174.700 0.118 0.000 0.988 249 T CA -0.119 62.013 62.100 0.054 0.000 0.957 249 T CB 1.186 70.067 68.868 0.021 0.000 0.930 249 T HN 0.843 nan 8.240 nan 0.000 0.443 250 H N 1.702 120.786 119.070 0.023 0.000 2.744 250 H HA 0.334 4.890 4.556 -0.000 0.000 0.339 250 H C -0.792 174.613 175.328 0.127 0.000 1.004 250 H CA -0.951 55.109 56.048 0.020 0.000 1.257 250 H CB 0.240 30.050 29.762 0.080 0.000 1.552 250 H HN 0.735 nan 8.280 nan 0.000 0.522 251 Y N 3.384 123.501 120.300 -0.304 0.000 3.305 251 Y HA -0.279 4.271 4.550 -0.000 0.000 0.212 251 Y C 1.667 177.515 175.900 -0.086 0.000 1.248 251 Y CA 1.557 59.518 58.100 -0.231 0.000 1.359 251 Y CB -1.376 36.919 38.460 -0.276 0.000 1.407 251 Y HN 1.131 nan 8.280 nan 0.000 0.572 252 G N -2.227 106.593 108.800 0.034 0.000 2.253 252 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.251 252 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.251 252 G C 0.001 174.937 174.900 0.059 0.000 0.998 252 G CA -0.033 45.093 45.100 0.044 0.000 0.621 252 G HN 0.646 nan 8.290 nan 0.000 0.524 253 V N 2.017 121.988 119.914 0.095 0.000 2.432 253 V HA 0.605 4.725 4.120 -0.000 0.000 0.275 253 V C 0.598 176.739 176.094 0.079 0.000 1.043 253 V CA -0.064 62.291 62.300 0.092 0.000 0.925 253 V CB 1.590 33.487 31.823 0.122 0.000 0.985 253 V HN 0.330 nan 8.190 nan 0.000 0.466 254 S N 3.915 119.644 115.700 0.049 0.000 2.499 254 S HA 0.622 5.092 4.470 -0.000 0.000 0.279 254 S C -0.251 174.359 174.600 0.017 0.000 1.219 254 S CA -0.515 57.702 58.200 0.028 0.000 1.062 254 S CB 1.438 64.646 63.200 0.013 0.000 0.978 254 S HN 0.519 nan 8.310 nan 0.000 0.489 255 V N 3.356 123.267 119.914 -0.004 0.000 2.540 255 V HA 0.389 4.509 4.120 -0.000 0.000 0.302 255 V C -0.182 175.880 176.094 -0.054 0.000 1.035 255 V CA -0.920 61.364 62.300 -0.026 0.000 0.873 255 V CB 1.707 33.505 31.823 -0.042 0.000 0.992 255 V HN 0.623 nan 8.190 nan 0.000 0.428 256 V N 3.743 123.628 119.914 -0.050 0.000 2.455 256 V HA 0.435 4.555 4.120 -0.000 0.000 0.273 256 V C 1.202 177.240 176.094 -0.094 0.000 1.045 256 V CA 0.117 62.378 62.300 -0.065 0.000 0.976 256 V CB 1.240 33.033 31.823 -0.051 0.000 0.993 256 V HN 1.054 nan 8.190 nan 0.000 0.475 257 G N 4.376 113.102 108.800 -0.124 0.000 2.398 257 G HA2 0.333 4.293 3.960 -0.000 0.000 0.246 257 G HA3 0.333 4.293 3.960 -0.000 0.000 0.246 257 G C 0.698 175.523 174.900 -0.126 0.000 1.289 257 G CA -0.245 44.760 45.100 -0.158 0.000 0.869 257 G HN 0.991 nan 8.290 nan 0.000 0.543 258 I N 0.318 120.814 120.570 -0.123 0.000 4.018 258 I HA 0.502 4.672 4.170 -0.000 0.000 0.337 258 I C 0.895 176.952 176.117 -0.100 0.000 1.327 258 I CA 0.172 61.402 61.300 -0.116 0.000 1.100 258 I CB -0.249 37.671 38.000 -0.133 0.000 1.025 258 I HN 0.894 nan 8.210 nan 0.000 0.396 259 G N 3.120 111.860 108.800 -0.102 0.000 2.781 259 G HA2 -0.271 3.688 3.960 -0.000 0.000 0.683 259 G HA3 -0.271 3.688 3.960 -0.000 0.000 0.683 259 G C 0.613 175.490 174.900 -0.039 0.000 1.390 259 G CA -0.014 45.039 45.100 -0.078 0.000 0.850 259 G HN 0.682 nan 8.290 nan 0.000 0.557 260 R N 0.160 120.639 120.500 -0.034 0.000 2.096 260 R HA -0.072 4.268 4.340 -0.000 0.000 0.235 260 R C 1.690 178.007 176.300 0.028 0.000 1.127 260 R CA 2.197 58.286 56.100 -0.017 0.000 0.968 260 R CB -0.440 29.800 30.300 -0.099 0.000 0.861 260 R HN 0.516 nan 8.270 nan 0.000 0.440 261 D N 0.664 121.083 120.400 0.032 0.000 2.084 261 D HA -0.086 4.553 4.640 -0.000 0.000 0.194 261 D C 1.794 178.168 176.300 0.124 0.000 0.990 261 D CA 1.647 55.691 54.000 0.072 0.000 0.826 261 D CB 0.130 40.956 40.800 0.043 0.000 0.971 261 D HN 0.283 nan 8.370 nan 0.000 0.453 262 K N -0.180 120.279 120.400 0.098 0.000 2.057 262 K HA -0.112 4.208 4.320 -0.000 0.000 0.207 262 K C 1.993 178.720 176.600 0.213 0.000 1.049 262 K CA 0.491 56.868 56.287 0.150 0.000 0.931 262 K CB -0.183 32.306 32.500 -0.019 0.000 0.714 262 K HN 0.086 nan 8.250 nan 0.000 0.440 263 L N 1.013 122.327 121.223 0.152 0.000 1.989 263 L HA -0.123 4.217 4.340 -0.000 0.000 0.211 263 L C 2.146 179.172 176.870 0.261 0.000 1.071 263 L CA 2.302 57.256 54.840 0.190 0.000 0.749 263 L CB -1.138 40.964 42.059 0.071 0.000 0.890 263 L HN 0.196 nan 8.230 nan 0.000 0.431 264 G N -1.076 107.855 108.800 0.218 0.000 2.440 264 G HA2 -0.326 3.633 3.960 -0.000 0.000 0.218 264 G HA3 -0.326 3.633 3.960 -0.000 0.000 0.218 264 G C 1.699 176.958 174.900 0.599 0.000 1.154 264 G CA 1.025 46.352 45.100 0.378 0.000 0.767 264 G HN 0.370 nan 8.290 nan 0.000 0.552 265 K N 0.021 120.700 120.400 0.465 0.000 2.026 265 K HA 0.081 4.401 4.320 -0.000 0.000 0.208 265 K C 2.405 179.256 176.600 0.419 0.000 1.048 265 K CA 0.808 57.358 56.287 0.438 0.000 0.929 265 K CB -0.337 32.363 32.500 0.332 0.000 0.713 265 K HN 0.371 nan 8.250 nan 0.000 0.439 266 I N -0.601 120.209 120.570 0.400 0.000 2.226 266 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 266 I C 1.704 177.987 176.117 0.276 0.000 1.100 266 I CA 1.205 62.693 61.300 0.314 0.000 1.374 266 I CB -0.139 38.042 38.000 0.302 0.000 1.057 266 I HN 0.083 nan 8.210 nan 0.000 0.413 267 F N -0.658 119.464 119.950 0.287 0.000 2.186 267 F HA -0.257 4.270 4.527 -0.000 0.000 0.299 267 F C 2.430 178.453 175.800 0.372 0.000 1.090 267 F CA 1.581 59.765 58.000 0.305 0.000 1.307 267 F CB -0.512 38.618 39.000 0.217 0.000 1.019 267 F HN 0.032 nan 8.300 nan 0.000 0.489 268 Y N 0.706 121.290 120.300 0.475 0.000 2.200 268 Y HA -0.233 4.317 4.550 -0.000 0.000 0.290 268 Y C 2.712 178.656 175.900 0.073 0.000 1.137 268 Y CA 1.746 59.942 58.100 0.159 0.000 1.163 268 Y CB -0.305 38.092 38.460 -0.105 0.000 0.988 268 Y HN -0.106 nan 8.280 nan 0.000 0.518 269 R N 0.200 120.816 120.500 0.193 0.000 2.075 269 R HA -0.131 4.209 4.340 -0.000 0.000 0.232 269 R C 2.338 178.638 176.300 0.000 0.000 1.126 269 R CA 1.227 57.363 56.100 0.060 0.000 0.963 269 R CB -0.524 29.868 30.300 0.153 0.000 0.858 269 R HN 0.419 nan 8.270 nan 0.000 0.435 270 A N 1.263 124.124 122.820 0.068 0.000 1.877 270 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 270 A C 2.052 179.641 177.584 0.007 0.000 1.186 270 A CA 1.357 53.444 52.037 0.082 0.000 0.620 270 A CB -0.708 18.239 19.000 -0.088 0.000 0.822 270 A HN 0.398 nan 8.150 nan 0.000 0.443 271 L N 0.424 121.626 121.223 -0.034 0.000 1.990 271 L HA -0.190 4.150 4.340 -0.000 0.000 0.213 271 L C 2.735 179.492 176.870 -0.188 0.000 1.072 271 L CA 3.163 57.952 54.840 -0.085 0.000 0.755 271 L CB -0.810 41.201 42.059 -0.080 0.000 0.889 271 L HN 0.578 nan 8.230 nan 0.000 0.432 272 T N -4.563 109.789 114.554 -0.337 0.000 3.043 272 T HA -0.021 4.329 4.350 -0.000 0.000 0.263 272 T C 1.581 176.110 174.700 -0.285 0.000 1.094 272 T CA 0.766 62.653 62.100 -0.355 0.000 1.127 272 T CB -0.038 68.505 68.868 -0.542 0.000 0.905 272 T HN 0.465 nan 8.240 nan 0.000 0.490 273 Q N -0.884 118.708 119.800 -0.348 0.000 2.422 273 Q HA 0.226 4.566 4.340 -0.000 0.000 0.255 273 Q C 1.018 176.678 176.000 -0.568 0.000 0.864 273 Q CA 0.511 55.995 55.803 -0.532 0.000 0.968 273 Q CB 0.359 28.565 28.738 -0.887 0.000 1.130 273 Q HN 0.650 nan 8.270 nan 0.000 0.556 274 Y N 0.242 120.498 120.300 -0.075 0.000 2.581 274 Y HA 0.280 4.830 4.550 -0.000 0.000 0.271 274 Y C 1.054 176.921 175.900 -0.054 0.000 1.100 274 Y CA -0.336 57.725 58.100 -0.065 0.000 1.281 274 Y CB 0.537 38.951 38.460 -0.076 0.000 1.237 274 Y HN -0.132 nan 8.280 nan 0.000 0.514 275 L N 1.604 122.875 121.223 0.080 0.000 2.439 275 L HA 0.296 4.636 4.340 -0.000 0.000 0.269 275 L C 0.694 177.581 176.870 0.028 0.000 1.179 275 L CA -0.150 54.720 54.840 0.050 0.000 0.828 275 L CB 0.689 42.776 42.059 0.046 0.000 1.106 275 L HN 0.168 nan 8.230 nan 0.000 0.467 276 T N -1.541 113.034 114.554 0.034 0.000 2.910 276 T HA 0.436 4.786 4.350 -0.000 0.000 0.287 276 T C -2.196 172.525 174.700 0.036 0.000 1.050 276 T CA -1.952 60.164 62.100 0.026 0.000 1.011 276 T CB 1.980 70.862 68.868 0.023 0.000 1.195 276 T HN 0.243 nan 8.240 nan 0.000 0.540 277 P HA 0.041 nan 4.420 nan 0.000 0.218 277 P C 1.067 178.397 177.300 0.051 0.000 1.148 277 P CA 1.000 64.124 63.100 0.040 0.000 0.822 277 P CB 0.037 31.753 31.700 0.028 0.000 0.784 278 T N -1.321 113.258 114.554 0.043 0.000 3.134 278 T HA 0.181 4.531 4.350 -0.000 0.000 0.260 278 T C 0.485 175.215 174.700 0.049 0.000 1.027 278 T CA -0.037 62.089 62.100 0.042 0.000 0.913 278 T CB -0.406 68.480 68.868 0.029 0.000 1.046 278 T HN -0.034 nan 8.240 nan 0.000 0.553 279 S N 3.475 119.211 115.700 0.059 0.000 2.549 279 S HA 0.165 4.635 4.470 -0.000 0.000 0.286 279 S C 0.580 175.242 174.600 0.103 0.000 1.314 279 S CA -0.473 57.768 58.200 0.068 0.000 1.062 279 S CB 0.239 63.483 63.200 0.073 0.000 0.865 279 S HN 0.714 nan 8.310 nan 0.000 0.498 280 N N 1.215 119.976 118.700 0.101 0.000 2.530 280 N HA 0.306 5.046 4.740 -0.000 0.000 0.283 280 N C 0.074 175.737 175.510 0.256 0.000 1.238 280 N CA -0.801 52.339 53.050 0.149 0.000 0.971 280 N CB 0.175 38.704 38.487 0.070 0.000 1.195 280 N HN 0.274 nan 8.380 nan 0.000 0.583 281 F N 0.482 120.450 119.950 0.030 0.000 2.161 281 F HA -0.170 4.357 4.527 -0.000 0.000 0.300 281 F C 3.035 178.788 175.800 -0.079 0.000 1.089 281 F CA 0.995 59.003 58.000 0.012 0.000 1.282 281 F CB -1.238 37.760 39.000 -0.005 0.000 1.010 281 F HN 0.634 nan 8.300 nan 0.000 0.485 282 S N -0.315 115.424 115.700 0.064 0.000 2.368 282 S HA -0.228 4.242 4.470 -0.000 0.000 0.225 282 S C 1.924 176.467 174.600 -0.094 0.000 1.030 282 S CA 1.461 59.627 58.200 -0.057 0.000 0.999 282 S CB -0.309 62.851 63.200 -0.067 0.000 0.844 282 S HN 0.521 nan 8.310 nan 0.000 0.459 283 Q N 0.085 119.862 119.800 -0.038 0.000 2.167 283 Q HA -0.016 4.324 4.340 -0.000 0.000 0.202 283 Q C 2.206 178.143 176.000 -0.104 0.000 0.970 283 Q CA 1.377 57.143 55.803 -0.062 0.000 0.855 283 Q CB -0.355 28.375 28.738 -0.013 0.000 0.911 283 Q HN 0.564 nan 8.270 nan 0.000 0.438 284 L N 0.981 122.160 121.223 -0.073 0.000 2.079 284 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 284 L C 2.328 178.968 176.870 -0.384 0.000 1.081 284 L CA 1.791 56.561 54.840 -0.117 0.000 0.752 284 L CB -0.360 41.714 42.059 0.025 0.000 0.896 284 L HN 0.054 nan 8.230 nan 0.000 0.433 285 R N -0.382 119.774 120.500 -0.574 0.000 2.080 285 R HA -0.185 4.155 4.340 -0.000 0.000 0.236 285 R C 2.181 178.133 176.300 -0.579 0.000 1.137 285 R CA 1.672 57.180 56.100 -0.987 0.000 0.943 285 R CB -0.545 29.280 30.300 -0.792 0.000 0.846 285 R HN 0.515 nan 8.270 nan 0.000 0.431 286 A N 0.464 123.067 122.820 -0.361 0.000 1.972 286 A HA -0.080 4.240 4.320 -0.000 0.000 0.219 286 A C 2.306 179.697 177.584 -0.322 0.000 1.169 286 A CA 1.637 53.503 52.037 -0.286 0.000 0.635 286 A CB -0.647 18.226 19.000 -0.212 0.000 0.810 286 A HN 0.582 nan 8.150 nan 0.000 0.446 287 A N -0.165 122.473 122.820 -0.304 0.000 1.873 287 A HA 0.222 4.541 4.320 -0.000 0.000 0.215 287 A C 2.485 179.897 177.584 -0.287 0.000 1.186 287 A CA 1.881 53.746 52.037 -0.286 0.000 0.616 287 A CB -0.955 17.980 19.000 -0.108 0.000 0.823 287 A HN 1.014 nan 8.150 nan 0.000 0.442 288 A N -0.669 121.950 122.820 -0.335 0.000 1.969 288 A HA 0.080 4.400 4.320 -0.000 0.000 0.218 288 A C 2.191 179.660 177.584 -0.192 0.000 1.169 288 A CA 1.595 53.441 52.037 -0.317 0.000 0.635 288 A CB -0.737 18.024 19.000 -0.400 0.000 0.810 288 A HN 0.337 nan 8.150 nan 0.000 0.445 289 V N -0.236 119.542 119.914 -0.227 0.000 2.307 289 V HA -0.262 3.858 4.120 -0.000 0.000 0.245 289 V C 2.735 178.744 176.094 -0.142 0.000 1.045 289 V CA 2.329 64.538 62.300 -0.152 0.000 1.024 289 V CB -0.658 31.068 31.823 -0.162 0.000 0.651 289 V HN 0.709 nan 8.190 nan 0.000 0.449 290 Q N 0.301 119.953 119.800 -0.246 0.000 2.079 290 Q HA -0.143 4.197 4.340 -0.000 0.000 0.200 290 Q C 2.302 178.184 176.000 -0.196 0.000 0.974 290 Q CA 2.233 57.845 55.803 -0.317 0.000 0.840 290 Q CB -0.366 28.005 28.738 -0.612 0.000 0.898 290 Q HN 0.599 nan 8.270 nan 0.000 0.430 291 S N 0.039 115.677 115.700 -0.104 0.000 2.368 291 S HA -0.085 4.385 4.470 -0.000 0.000 0.224 291 S C 1.927 176.564 174.600 0.062 0.000 1.029 291 S CA 0.929 59.183 58.200 0.090 0.000 0.988 291 S CB -0.548 62.723 63.200 0.117 0.000 0.838 291 S HN 0.594 nan 8.310 nan 0.000 0.462 292 A N 1.248 124.116 122.820 0.080 0.000 1.930 292 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 292 A C 2.311 179.983 177.584 0.146 0.000 1.175 292 A CA 1.942 54.104 52.037 0.208 0.000 0.627 292 A CB -1.255 17.861 19.000 0.194 0.000 0.815 292 A HN 0.455 nan 8.150 nan 0.000 0.443 293 T N 0.231 114.812 114.554 0.045 0.000 2.708 293 T HA -0.126 4.224 4.350 -0.000 0.000 0.266 293 T C 1.542 176.241 174.700 -0.003 0.000 1.037 293 T CA 1.614 63.726 62.100 0.020 0.000 1.146 293 T CB -0.424 68.429 68.868 -0.024 0.000 0.865 293 T HN 0.459 nan 8.240 nan 0.000 0.435 294 D N 0.945 121.337 120.400 -0.014 0.000 2.123 294 D HA -0.016 4.624 4.640 -0.000 0.000 0.196 294 D C 2.039 178.282 176.300 -0.095 0.000 0.992 294 D CA 0.897 54.887 54.000 -0.017 0.000 0.833 294 D CB -0.239 40.586 40.800 0.042 0.000 0.954 294 D HN 0.334 nan 8.370 nan 0.000 0.455 295 L N -1.556 119.547 121.223 -0.199 0.000 2.202 295 L HA -0.005 4.335 4.340 -0.000 0.000 0.205 295 L C 1.442 177.898 176.870 -0.690 0.000 1.083 295 L CA 0.655 55.196 54.840 -0.499 0.000 0.790 295 L CB -0.025 41.535 42.059 -0.832 0.000 0.942 295 L HN 0.054 nan 8.230 nan 0.000 0.452 296 Y N -0.616 119.704 120.300 0.033 0.000 2.471 296 Y HA 0.461 5.011 4.550 -0.000 0.000 0.249 296 Y C 1.028 176.937 175.900 0.015 0.000 1.116 296 Y CA -0.052 58.062 58.100 0.024 0.000 1.240 296 Y CB 1.041 39.517 38.460 0.026 0.000 1.251 296 Y HN 0.089 nan 8.280 nan 0.000 0.527 297 G N 0.683 109.548 108.800 0.108 0.000 2.712 297 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.686 297 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.686 297 G C 0.622 175.560 174.900 0.063 0.000 1.181 297 G CA -0.196 44.944 45.100 0.068 0.000 0.762 297 G HN 0.367 nan 8.290 nan 0.000 0.641 298 S N -0.790 114.929 115.700 0.033 0.000 2.440 298 S HA -0.119 4.351 4.470 -0.000 0.000 0.240 298 S C 1.986 176.600 174.600 0.023 0.000 1.014 298 S CA 2.536 60.748 58.200 0.021 0.000 0.980 298 S CB -0.292 62.911 63.200 0.004 0.000 0.775 298 S HN 2.321 nan 8.310 nan 0.000 0.499 299 T N -0.167 114.404 114.554 0.029 0.000 3.176 299 T HA 0.377 4.727 4.350 -0.000 0.000 0.263 299 T C 0.506 175.224 174.700 0.030 0.000 1.021 299 T CA -0.058 62.056 62.100 0.023 0.000 0.905 299 T CB -0.243 68.636 68.868 0.017 0.000 1.057 299 T HN 0.480 nan 8.240 nan 0.000 0.558 300 S N 0.827 116.556 115.700 0.048 0.000 2.600 300 S HA 0.225 4.695 4.470 -0.000 0.000 0.265 300 S C 1.232 175.842 174.600 0.017 0.000 1.325 300 S CA -0.566 57.663 58.200 0.047 0.000 1.002 300 S CB 1.425 64.689 63.200 0.106 0.000 0.921 300 S HN 0.271 nan 8.310 nan 0.000 0.554 301 Q N 0.569 120.362 119.800 -0.012 0.000 2.172 301 Q HA -0.082 4.258 4.340 -0.000 0.000 0.200 301 Q C 1.543 177.517 176.000 -0.043 0.000 0.964 301 Q CA 1.777 57.562 55.803 -0.030 0.000 0.855 301 Q CB -0.481 28.227 28.738 -0.049 0.000 0.918 301 Q HN 0.837 nan 8.270 nan 0.000 0.444 302 E N -0.667 119.486 120.200 -0.078 0.000 2.058 302 E HA -0.144 4.206 4.350 -0.000 0.000 0.194 302 E C 1.946 178.556 176.600 0.016 0.000 0.997 302 E CA 1.636 57.975 56.400 -0.103 0.000 0.801 302 E CB -0.327 29.179 29.700 -0.324 0.000 0.746 302 E HN 0.197 nan 8.360 nan 0.000 0.450 303 V N 0.724 120.670 119.914 0.053 0.000 2.358 303 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 303 V C 2.143 178.259 176.094 0.037 0.000 1.047 303 V CA 1.789 64.123 62.300 0.057 0.000 1.035 303 V CB -0.731 31.123 31.823 0.052 0.000 0.658 303 V HN 0.365 nan 8.190 nan 0.000 0.452 304 A N -0.658 122.176 122.820 0.023 0.000 1.930 304 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 304 A C 2.473 180.071 177.584 0.024 0.000 1.175 304 A CA 2.011 54.060 52.037 0.020 0.000 0.627 304 A CB -0.582 18.423 19.000 0.009 0.000 0.815 304 A HN 0.497 nan 8.150 nan 0.000 0.443 305 S N -0.346 115.362 115.700 0.012 0.000 2.382 305 S HA -0.119 4.351 4.470 -0.000 0.000 0.228 305 S C 1.876 176.509 174.600 0.054 0.000 1.027 305 S CA 1.361 59.567 58.200 0.010 0.000 0.991 305 S CB -0.399 62.788 63.200 -0.022 0.000 0.823 305 S HN 0.349 nan 8.310 nan 0.000 0.469 306 V N 1.852 121.822 119.914 0.093 0.000 2.343 306 V HA -0.208 3.912 4.120 -0.000 0.000 0.247 306 V C 2.249 178.486 176.094 0.237 0.000 1.051 306 V CA 1.695 64.109 62.300 0.191 0.000 1.036 306 V CB -0.536 31.388 31.823 0.169 0.000 0.654 306 V HN 0.417 nan 8.190 nan 0.000 0.451 307 K N -0.451 120.028 120.400 0.132 0.000 2.057 307 K HA -0.223 4.097 4.320 -0.000 0.000 0.207 307 K C 2.322 179.004 176.600 0.137 0.000 1.049 307 K CA 1.570 57.929 56.287 0.120 0.000 0.931 307 K CB -0.218 32.315 32.500 0.055 0.000 0.714 307 K HN 0.477 nan 8.250 nan 0.000 0.440 308 Q N 0.136 119.993 119.800 0.096 0.000 2.061 308 Q HA -0.169 4.171 4.340 -0.000 0.000 0.204 308 Q C 2.155 178.202 176.000 0.079 0.000 0.984 308 Q CA 1.847 57.695 55.803 0.075 0.000 0.846 308 Q CB -0.202 28.561 28.738 0.042 0.000 0.902 308 Q HN 0.375 nan 8.270 nan 0.000 0.421 309 A N 0.096 122.951 122.820 0.058 0.000 1.865 309 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 309 A C 1.840 179.382 177.584 -0.071 0.000 1.191 309 A CA 1.481 53.497 52.037 -0.035 0.000 0.623 309 A CB -0.953 17.994 19.000 -0.089 0.000 0.826 309 A HN 0.364 nan 8.150 nan 0.000 0.444 310 F N 0.393 120.353 119.950 0.017 0.000 2.102 310 F HA -0.161 4.366 4.527 -0.000 0.000 0.298 310 F C 2.194 177.995 175.800 0.001 0.000 1.105 310 F CA 1.771 59.768 58.000 -0.005 0.000 1.239 310 F CB -0.362 38.621 39.000 -0.027 0.000 0.991 310 F HN 0.188 nan 8.300 nan 0.000 0.474 311 D N 0.085 120.595 120.400 0.183 0.000 2.149 311 D HA -0.172 4.468 4.640 -0.000 0.000 0.198 311 D C 2.306 178.688 176.300 0.135 0.000 0.990 311 D CA 1.328 55.404 54.000 0.127 0.000 0.839 311 D CB -0.571 40.294 40.800 0.108 0.000 0.948 311 D HN 0.237 nan 8.370 nan 0.000 0.460 312 A N 0.451 123.358 122.820 0.144 0.000 1.940 312 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 312 A C 2.182 179.953 177.584 0.312 0.000 1.176 312 A CA 1.847 54.026 52.037 0.235 0.000 0.631 312 A CB -0.458 18.695 19.000 0.255 0.000 0.814 312 A HN 0.260 nan 8.150 nan 0.000 0.446 313 V N -4.040 115.940 119.914 0.111 0.000 3.596 313 V HA 0.548 4.668 4.120 -0.000 0.000 0.289 313 V C 1.233 177.053 176.094 -0.457 0.000 1.336 313 V CA 0.478 62.737 62.300 -0.068 0.000 1.137 313 V CB -0.893 30.898 31.823 -0.054 0.000 0.966 313 V HN 1.481 nan 8.190 nan 0.000 0.428 314 G N 0.406 109.040 108.800 -0.276 0.000 2.160 314 G HA2 -0.205 3.754 3.960 -0.000 0.000 0.251 314 G HA3 -0.205 3.754 3.960 -0.000 0.000 0.251 314 G C 0.018 174.869 174.900 -0.081 0.000 1.008 314 G CA 0.160 45.141 45.100 -0.199 0.000 0.724 314 G HN 0.924 nan 8.290 nan 0.000 0.514 315 V N 0.718 120.602 119.914 -0.049 0.000 2.304 315 V HA 0.588 4.708 4.120 -0.000 0.000 0.269 315 V C 0.634 176.725 176.094 -0.005 0.000 1.036 315 V CA 0.388 62.644 62.300 -0.074 0.000 0.840 315 V CB 0.341 32.245 31.823 0.134 0.000 1.036 315 V HN 0.871 nan 8.190 nan 0.000 0.466 316 K N 0.000 120.353 120.400 -0.079 0.000 2.780 316 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 316 K CA 0.000 56.265 56.287 -0.037 0.000 0.838 316 K CB 0.000 32.466 32.500 -0.057 0.000 1.064 316 K HN 0.000 nan 8.250 nan 0.000 0.543