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 2e1p_1_A DATA FIRST_RESID 4 DATA SEQUENCE NTIRVIVSVD KAKFNPHEVL GIGGHIVYQF KLIPAVVVDV PANAVGKLKK DATA SEQUENCE MPGVEKVEFD HQAVLLGKPS WLGGGSTQPA QTIPWGIERV KAPSVWSITD DATA SEQUENCE GSVSVIQVAV LDTGVDYDHP DLAANIAWcV STLRGKVSTK LRDcADQNGH DATA SEQUENCE GTHVIGTIAA LNNDIGVVGV APGVQIYSVR VLDARGSGSY SDIAIGIEQA DATA SEQUENCE ILGPDGVADK DGDGIIAGDP DDDAAEVISM SLGGPADDSY LYDMIIQAYN DATA SEQUENCE AGIVIVAASG NEGAPSPSYP AAYPEVIAVG AIDSNDNIAS FSNRQPEVSA DATA SEQUENCE PGVDILSTYP DDSYETLMGT AMATPHVSGV VALIQAAYYQ KYGKILPVGT DATA SEQUENCE FDDISKNTVR GILHITADDL GPTGWDADYG YGVVRAALAV QAALG 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 4 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.523 175.510 0.021 0.000 1.280 4 N CA 0.000 53.059 53.050 0.015 0.000 0.885 4 N CB 0.000 38.496 38.487 0.016 0.000 1.341 5 T N 0.141 114.704 114.554 0.016 0.000 2.977 5 T HA 0.588 4.938 4.350 -0.001 0.000 0.345 5 T C -1.858 172.842 174.700 0.001 0.000 1.562 5 T CA -0.465 61.643 62.100 0.014 0.000 1.090 5 T CB 0.325 69.216 68.868 0.037 0.000 1.383 5 T HN 0.376 nan 8.240 nan 0.000 0.484 6 I N 0.636 121.201 120.570 -0.008 0.000 2.785 6 I HA 0.785 4.954 4.170 -0.001 0.000 0.302 6 I C -0.460 175.650 176.117 -0.010 0.000 1.069 6 I CA -1.419 59.874 61.300 -0.013 0.000 1.045 6 I CB 2.166 40.156 38.000 -0.018 0.000 1.236 6 I HN 0.667 nan 8.210 nan 0.000 0.429 7 R N 3.649 124.147 120.500 -0.004 0.000 2.254 7 R HA 0.725 5.065 4.340 -0.001 0.000 0.318 7 R C -1.514 174.797 176.300 0.019 0.000 1.031 7 R CA -0.313 55.786 56.100 -0.002 0.000 0.905 7 R CB 1.263 31.569 30.300 0.011 0.000 1.050 7 R HN 0.679 nan 8.270 nan 0.000 0.456 8 V N 5.708 125.620 119.914 -0.004 0.000 2.962 8 V HA 0.489 4.608 4.120 -0.001 0.000 0.313 8 V C -0.760 175.277 176.094 -0.095 0.000 1.099 8 V CA -0.981 61.311 62.300 -0.014 0.000 0.971 8 V CB 2.182 34.006 31.823 0.002 0.000 1.028 8 V HN 0.607 nan 8.190 nan 0.000 0.430 9 I N 2.743 123.197 120.570 -0.193 0.000 2.362 9 I HA 0.520 4.689 4.170 -0.001 0.000 0.289 9 I C -0.332 175.607 176.117 -0.297 0.000 0.994 9 I CA -0.340 60.751 61.300 -0.348 0.000 1.158 9 I CB 1.777 39.200 38.000 -0.961 0.000 1.315 9 I HN 0.273 nan 8.210 nan 0.000 0.451 10 V N 4.394 124.165 119.914 -0.239 0.000 2.417 10 V HA 0.452 4.572 4.120 -0.001 0.000 0.291 10 V C 0.169 176.115 176.094 -0.247 0.000 1.024 10 V CA -0.620 61.535 62.300 -0.242 0.000 0.861 10 V CB 1.425 33.072 31.823 -0.293 0.000 0.985 10 V HN 0.730 nan 8.190 nan 0.000 0.436 11 S N 3.964 119.552 115.700 -0.187 0.000 2.452 11 S HA 0.632 5.102 4.470 -0.001 0.000 0.284 11 S C 0.009 174.501 174.600 -0.180 0.000 1.171 11 S CA -0.462 57.652 58.200 -0.143 0.000 1.064 11 S CB 1.226 64.384 63.200 -0.070 0.000 0.967 11 S HN 0.861 nan 8.310 nan 0.000 0.484 12 V N 0.506 120.298 119.914 -0.204 0.000 3.164 12 V HA 0.728 4.848 4.120 -0.001 0.000 0.313 12 V C -1.052 175.003 176.094 -0.064 0.000 1.188 12 V CA -1.178 61.003 62.300 -0.198 0.000 1.058 12 V CB 2.038 33.577 31.823 -0.473 0.000 1.110 12 V HN 0.586 nan 8.190 nan 0.000 0.453 13 D N 0.300 120.704 120.400 0.008 0.000 2.454 13 D HA 0.380 5.019 4.640 -0.001 0.000 0.225 13 D C 0.685 177.045 176.300 0.099 0.000 1.081 13 D CA -0.469 53.558 54.000 0.046 0.000 0.864 13 D CB 1.779 42.609 40.800 0.051 0.000 1.040 13 D HN 0.526 nan 8.370 nan 0.000 0.517 14 K N 2.507 122.957 120.400 0.082 0.000 2.173 14 K HA -0.124 4.195 4.320 -0.001 0.000 0.207 14 K C 1.692 178.355 176.600 0.104 0.000 1.046 14 K CA 1.528 57.880 56.287 0.109 0.000 0.929 14 K CB -0.305 32.237 32.500 0.071 0.000 0.720 14 K HN 0.502 nan 8.250 nan 0.000 0.453 15 A N 0.197 123.063 122.820 0.076 0.000 2.067 15 A HA -0.080 4.239 4.320 -0.001 0.000 0.217 15 A C 1.556 179.177 177.584 0.062 0.000 1.156 15 A CA 1.294 53.366 52.037 0.058 0.000 0.683 15 A CB -0.014 19.011 19.000 0.041 0.000 0.808 15 A HN 0.238 nan 8.150 nan 0.000 0.455 16 K N -2.311 118.142 120.400 0.089 0.000 2.425 16 K HA 0.205 4.525 4.320 -0.001 0.000 0.201 16 K C -0.352 176.317 176.600 0.115 0.000 1.128 16 K CA -0.445 55.891 56.287 0.082 0.000 1.000 16 K CB 0.379 32.922 32.500 0.071 0.000 0.961 16 K HN 0.356 nan 8.250 nan 0.000 0.555 17 F N 3.255 123.213 119.950 0.013 0.000 2.504 17 F HA 0.150 4.677 4.527 -0.001 0.000 0.369 17 F C -0.020 175.793 175.800 0.023 0.000 1.082 17 F CA -0.704 57.303 58.000 0.013 0.000 1.216 17 F CB 0.335 39.340 39.000 0.008 0.000 1.108 17 F HN -0.129 nan 8.300 nan 0.000 0.554 18 N N 8.230 126.493 118.700 -0.728 0.000 2.511 18 N HA 0.377 5.116 4.740 -0.001 0.000 0.249 18 N C -2.252 172.760 175.510 -0.830 0.000 0.971 18 N CA -2.569 50.151 53.050 -0.551 0.000 0.938 18 N CB 1.740 40.098 38.487 -0.216 0.000 1.131 18 N HN 0.226 nan 8.380 nan 0.000 0.505 19 P HA -0.132 nan 4.420 nan 0.000 0.218 19 P C 0.860 177.973 177.300 -0.311 0.000 1.146 19 P CA 1.166 63.978 63.100 -0.479 0.000 0.813 19 P CB 0.125 31.663 31.700 -0.270 0.000 0.778 20 H N -0.875 118.072 119.070 -0.205 0.000 2.456 20 H HA -0.100 4.456 4.556 -0.001 0.000 0.296 20 H C 1.850 177.113 175.328 -0.109 0.000 1.079 20 H CA 1.215 57.192 56.048 -0.119 0.000 1.322 20 H CB -0.082 29.619 29.762 -0.101 0.000 1.388 20 H HN 0.208 nan 8.280 nan 0.000 0.538 21 E N 0.541 120.707 120.200 -0.057 0.000 2.051 21 E HA -0.126 4.223 4.350 -0.001 0.000 0.192 21 E C 2.533 179.123 176.600 -0.016 0.000 0.991 21 E CA 1.376 57.746 56.400 -0.051 0.000 0.799 21 E CB -0.114 29.524 29.700 -0.104 0.000 0.748 21 E HN 0.336 nan 8.360 nan 0.000 0.449 22 V N -0.989 118.912 119.914 -0.022 0.000 2.427 22 V HA -0.170 3.950 4.120 -0.001 0.000 0.248 22 V C 2.024 178.130 176.094 0.020 0.000 1.051 22 V CA 1.441 63.758 62.300 0.029 0.000 1.048 22 V CB -0.554 31.314 31.823 0.074 0.000 0.666 22 V HN 0.156 nan 8.190 nan 0.000 0.456 23 L N 1.603 122.831 121.223 0.009 0.000 2.465 23 L HA 0.228 4.567 4.340 -0.001 0.000 0.224 23 L C 2.543 179.433 176.870 0.033 0.000 1.145 23 L CA 1.507 56.363 54.840 0.027 0.000 0.834 23 L CB -0.840 41.226 42.059 0.011 0.000 0.944 23 L HN 0.480 nan 8.230 nan 0.000 0.451 24 G N -0.023 108.795 108.800 0.029 0.000 2.623 24 G HA2 -0.048 3.912 3.960 -0.001 0.000 0.214 24 G HA3 -0.048 3.912 3.960 -0.001 0.000 0.214 24 G C 1.232 176.147 174.900 0.024 0.000 1.138 24 G CA 0.349 45.465 45.100 0.027 0.000 0.794 24 G HN 0.522 nan 8.290 nan 0.000 0.535 25 I N -3.239 117.346 120.570 0.025 0.000 3.816 25 I HA 0.545 4.715 4.170 -0.001 0.000 0.334 25 I C 1.100 177.233 176.117 0.027 0.000 1.551 25 I CA -0.011 61.303 61.300 0.024 0.000 1.153 25 I CB 0.121 38.136 38.000 0.024 0.000 1.197 25 I HN 0.072 nan 8.210 nan 0.000 0.439 26 G N 1.010 109.830 108.800 0.034 0.000 2.160 26 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.251 26 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.251 26 G C 0.346 175.279 174.900 0.056 0.000 1.008 26 G CA -0.031 45.096 45.100 0.045 0.000 0.724 26 G HN 0.905 nan 8.290 nan 0.000 0.514 27 G N -0.760 108.065 108.800 0.042 0.000 2.597 27 G HA2 0.851 4.811 3.960 -0.001 0.000 0.317 27 G HA3 0.851 4.811 3.960 -0.001 0.000 0.317 27 G C -0.473 174.457 174.900 0.050 0.000 1.230 27 G CA -0.157 44.941 45.100 -0.003 0.000 0.996 27 G HN 1.150 nan 8.290 nan 0.000 0.490 28 H N -1.563 117.518 119.070 0.020 0.000 3.008 28 H HA 0.446 5.001 4.556 -0.001 0.000 0.354 28 H C -1.311 174.029 175.328 0.020 0.000 1.252 28 H CA -1.062 54.992 56.048 0.010 0.000 1.117 28 H CB 1.469 31.232 29.762 0.003 0.000 1.857 28 H HN 0.245 nan 8.280 nan 0.000 0.547 29 I N 2.863 123.525 120.570 0.154 0.000 2.325 29 I HA 0.032 4.202 4.170 -0.001 0.000 0.291 29 I C 1.298 177.505 176.117 0.150 0.000 1.019 29 I CA -0.426 60.932 61.300 0.097 0.000 1.302 29 I CB 1.247 39.279 38.000 0.055 0.000 1.401 29 I HN 0.493 nan 8.210 nan 0.000 0.485 30 V N 6.878 126.863 119.914 0.118 0.000 2.436 30 V HA 0.018 4.137 4.120 -0.001 0.000 0.240 30 V C -0.150 176.026 176.094 0.137 0.000 1.040 30 V CA 0.775 63.159 62.300 0.140 0.000 1.052 30 V CB -0.167 31.724 31.823 0.113 0.000 0.707 30 V HN 0.709 nan 8.190 nan 0.000 0.469 31 Y N 0.331 120.579 120.300 -0.087 0.000 2.442 31 Y HA 0.501 5.050 4.550 -0.001 0.000 0.330 31 Y C -0.863 174.905 175.900 -0.221 0.000 1.100 31 Y CA -1.060 56.927 58.100 -0.188 0.000 1.034 31 Y CB 1.552 39.825 38.460 -0.312 0.000 1.285 31 Y HN 0.167 nan 8.280 nan 0.000 0.440 32 Q N 6.161 125.543 119.800 -0.697 0.000 2.372 32 Q HA 0.338 4.678 4.340 -0.001 0.000 0.259 32 Q C -1.214 174.418 176.000 -0.613 0.000 0.993 32 Q CA -0.755 54.791 55.803 -0.428 0.000 0.854 32 Q CB 1.504 30.099 28.738 -0.238 0.000 1.231 32 Q HN 0.563 nan 8.270 nan 0.000 0.462 33 F N 1.652 121.506 119.950 -0.160 0.000 2.563 33 F HA -0.043 4.484 4.527 -0.001 0.000 0.363 33 F C 1.450 177.225 175.800 -0.041 0.000 1.123 33 F CA 0.686 58.690 58.000 0.007 0.000 1.307 33 F CB 0.645 39.723 39.000 0.131 0.000 1.115 33 F HN 0.441 nan 8.300 nan 0.000 0.592 34 K N 2.000 122.510 120.400 0.184 0.000 2.276 34 K HA 0.163 4.483 4.320 -0.001 0.000 0.198 34 K C 1.417 178.093 176.600 0.127 0.000 1.052 34 K CA 0.619 56.967 56.287 0.103 0.000 0.984 34 K CB 0.170 32.713 32.500 0.072 0.000 0.836 34 K HN 0.554 nan 8.250 nan 0.000 0.490 35 L N 1.493 122.825 121.223 0.180 0.000 2.554 35 L HA 0.293 4.633 4.340 -0.001 0.000 0.225 35 L C 0.719 177.634 176.870 0.075 0.000 1.104 35 L CA 0.011 54.920 54.840 0.116 0.000 0.866 35 L CB -0.052 42.077 42.059 0.117 0.000 1.047 35 L HN 0.163 nan 8.230 nan 0.000 0.468 36 I N -3.939 116.688 120.570 0.095 0.000 2.769 36 I HA 0.412 4.581 4.170 -0.001 0.000 0.298 36 I C -2.610 173.534 176.117 0.046 0.000 1.128 36 I CA -2.258 59.051 61.300 0.014 0.000 1.031 36 I CB 2.387 40.324 38.000 -0.106 0.000 1.235 36 I HN -0.239 nan 8.210 nan 0.000 0.423 37 P HA 0.299 nan 4.420 nan 0.000 0.230 37 P C -0.552 176.732 177.300 -0.025 0.000 1.791 37 P CA 0.320 63.423 63.100 0.005 0.000 1.020 37 P CB -0.014 31.681 31.700 -0.008 0.000 1.977 38 A N 1.306 124.144 122.820 0.031 0.000 2.587 38 A HA 0.713 5.032 4.320 -0.001 0.000 0.293 38 A C -1.534 176.161 177.584 0.185 0.000 1.087 38 A CA -0.753 51.293 52.037 0.014 0.000 0.692 38 A CB 2.290 21.249 19.000 -0.069 0.000 1.291 38 A HN 0.204 nan 8.150 nan 0.000 0.407 39 V N 1.124 121.074 119.914 0.061 0.000 2.808 39 V HA 0.619 4.738 4.120 -0.001 0.000 0.308 39 V C -1.230 174.892 176.094 0.046 0.000 1.099 39 V CA -0.490 61.857 62.300 0.077 0.000 0.920 39 V CB 2.051 33.865 31.823 -0.016 0.000 1.014 39 V HN 0.975 nan 8.190 nan 0.000 0.425 40 V N 7.055 127.015 119.914 0.076 0.000 2.432 40 V HA 0.653 4.773 4.120 -0.001 0.000 0.275 40 V C 0.058 176.157 176.094 0.010 0.000 1.043 40 V CA 0.147 62.471 62.300 0.040 0.000 0.925 40 V CB 1.242 33.108 31.823 0.072 0.000 0.985 40 V HN 1.012 nan 8.190 nan 0.000 0.466 41 V N 1.191 121.085 119.914 -0.033 0.000 3.007 41 V HA 0.740 4.859 4.120 -0.001 0.000 0.311 41 V C -1.296 174.705 176.094 -0.154 0.000 1.120 41 V CA -0.870 61.382 62.300 -0.081 0.000 0.980 41 V CB 2.632 34.428 31.823 -0.045 0.000 1.033 41 V HN 0.638 nan 8.190 nan 0.000 0.429 42 D N 2.336 122.514 120.400 -0.370 0.000 2.256 42 D HA 0.696 5.336 4.640 -0.001 0.000 0.240 42 D C -0.358 175.753 176.300 -0.316 0.000 1.062 42 D CA 0.094 53.869 54.000 -0.374 0.000 0.832 42 D CB 1.902 42.375 40.800 -0.544 0.000 1.135 42 D HN 1.083 nan 8.370 nan 0.000 0.484 43 V N 0.064 119.901 119.914 -0.129 0.000 2.841 43 V HA 0.625 4.745 4.120 -0.001 0.000 0.310 43 V C -2.897 173.188 176.094 -0.016 0.000 1.090 43 V CA -2.628 59.636 62.300 -0.060 0.000 0.930 43 V CB 2.147 33.956 31.823 -0.025 0.000 1.014 43 V HN 0.173 nan 8.190 nan 0.000 0.425 44 P HA 0.148 nan 4.420 nan 0.000 0.265 44 P C 0.977 178.287 177.300 0.017 0.000 1.187 44 P CA 0.829 63.938 63.100 0.013 0.000 0.766 44 P CB 0.855 32.566 31.700 0.019 0.000 0.820 45 A N 3.958 126.787 122.820 0.015 0.000 2.093 45 A HA -0.229 4.090 4.320 -0.001 0.000 0.222 45 A C 1.540 179.143 177.584 0.032 0.000 1.162 45 A CA 1.840 53.889 52.037 0.020 0.000 0.655 45 A CB -1.023 17.977 19.000 0.000 0.000 0.805 45 A HN 0.721 nan 8.150 nan 0.000 0.461 46 N N -0.713 118.002 118.700 0.025 0.000 2.353 46 N HA 0.224 4.963 4.740 -0.001 0.000 0.185 46 N C 1.101 176.628 175.510 0.027 0.000 1.098 46 N CA 0.908 53.973 53.050 0.026 0.000 0.872 46 N CB 0.033 38.531 38.487 0.019 0.000 0.970 46 N HN 0.369 nan 8.380 nan 0.000 0.467 47 A N 0.450 123.287 122.820 0.028 0.000 2.348 47 A HA 0.312 4.631 4.320 -0.001 0.000 0.224 47 A C 1.984 179.586 177.584 0.030 0.000 1.227 47 A CA -0.231 51.822 52.037 0.026 0.000 0.885 47 A CB -0.088 18.925 19.000 0.022 0.000 0.933 47 A HN 0.058 nan 8.150 nan 0.000 0.506 48 V N 0.207 120.145 119.914 0.040 0.000 2.332 48 V HA -0.235 3.884 4.120 -0.001 0.000 0.248 48 V C 2.786 178.895 176.094 0.026 0.000 1.055 48 V CA 2.237 64.563 62.300 0.043 0.000 1.038 48 V CB -1.179 30.696 31.823 0.086 0.000 0.651 48 V HN 0.581 nan 8.190 nan 0.000 0.450 49 G N -0.537 108.280 108.800 0.029 0.000 2.470 49 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.220 49 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.220 49 G C 1.648 176.558 174.900 0.017 0.000 1.121 49 G CA 0.714 45.826 45.100 0.019 0.000 0.766 49 G HN 0.504 nan 8.290 nan 0.000 0.553 50 K N -0.297 120.117 120.400 0.022 0.000 2.062 50 K HA 0.190 4.509 4.320 -0.001 0.000 0.205 50 K C 2.419 179.037 176.600 0.031 0.000 1.051 50 K CA 0.275 56.576 56.287 0.024 0.000 0.941 50 K CB -0.245 32.270 32.500 0.025 0.000 0.719 50 K HN 0.223 nan 8.250 nan 0.000 0.440 51 L N 1.571 122.813 121.223 0.032 0.000 1.971 51 L HA -0.272 4.068 4.340 -0.001 0.000 0.215 51 L C 2.247 179.138 176.870 0.035 0.000 1.072 51 L CA 1.651 56.519 54.840 0.045 0.000 0.758 51 L CB -0.399 41.677 42.059 0.028 0.000 0.889 51 L HN 0.182 nan 8.230 nan 0.000 0.433 52 K N -0.168 120.236 120.400 0.006 0.000 2.173 52 K HA -0.232 4.087 4.320 -0.001 0.000 0.207 52 K C 1.807 178.413 176.600 0.010 0.000 1.046 52 K CA 1.444 57.726 56.287 -0.007 0.000 0.929 52 K CB -0.092 32.395 32.500 -0.021 0.000 0.720 52 K HN 0.319 nan 8.250 nan 0.000 0.453 53 K N -0.079 120.334 120.400 0.021 0.000 2.404 53 K HA 0.151 4.470 4.320 -0.001 0.000 0.194 53 K C 0.390 177.013 176.600 0.039 0.000 1.023 53 K CA -0.065 56.237 56.287 0.025 0.000 1.094 53 K CB 0.270 32.781 32.500 0.019 0.000 0.841 53 K HN 0.137 nan 8.250 nan 0.000 0.523 54 M N 1.752 121.388 119.600 0.060 0.000 2.243 54 M HA 0.123 4.602 4.480 -0.001 0.000 0.341 54 M C -2.261 174.097 176.300 0.097 0.000 1.130 54 M CA -1.772 53.576 55.300 0.079 0.000 1.162 54 M CB -0.024 32.647 32.600 0.118 0.000 1.497 54 M HN -0.293 nan 8.290 nan 0.000 0.456 55 P HA 0.053 nan 4.420 nan 0.000 0.265 55 P C 0.657 178.048 177.300 0.152 0.000 1.193 55 P CA 0.860 64.008 63.100 0.081 0.000 0.765 55 P CB 0.508 32.236 31.700 0.046 0.000 0.823 56 G N 1.419 110.298 108.800 0.131 0.000 2.234 56 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.260 56 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.260 56 G C 0.107 175.083 174.900 0.127 0.000 0.987 56 G CA -0.108 45.093 45.100 0.167 0.000 0.625 56 G HN 0.532 nan 8.290 nan 0.000 0.532 57 V N 1.495 121.479 119.914 0.117 0.000 2.408 57 V HA 0.341 4.460 4.120 -0.001 0.000 0.267 57 V C 1.189 177.273 176.094 -0.017 0.000 1.047 57 V CA 0.705 63.010 62.300 0.008 0.000 0.937 57 V CB 1.214 33.062 31.823 0.042 0.000 0.999 57 V HN 0.520 nan 8.190 nan 0.000 0.472 58 E N 3.444 123.613 120.200 -0.052 0.000 2.162 58 E HA 0.154 4.504 4.350 -0.001 0.000 0.193 58 E C 0.601 177.172 176.600 -0.048 0.000 0.953 58 E CA 0.209 56.586 56.400 -0.038 0.000 0.849 58 E CB 0.752 30.431 29.700 -0.034 0.000 0.810 58 E HN 0.542 nan 8.360 nan 0.000 0.470 59 K N 0.834 121.191 120.400 -0.073 0.000 2.525 59 K HA 0.355 4.674 4.320 -0.001 0.000 0.254 59 K C -1.808 174.725 176.600 -0.112 0.000 0.934 59 K CA -0.432 55.810 56.287 -0.076 0.000 0.802 59 K CB 2.476 34.947 32.500 -0.049 0.000 1.295 59 K HN -0.182 nan 8.250 nan 0.000 0.433 60 V N 3.881 123.714 119.914 -0.134 0.000 2.326 60 V HA 0.324 4.443 4.120 -0.001 0.000 0.281 60 V C -0.771 175.168 176.094 -0.257 0.000 1.015 60 V CA -0.669 61.523 62.300 -0.179 0.000 0.823 60 V CB 1.189 32.910 31.823 -0.170 0.000 1.009 60 V HN 0.771 nan 8.190 nan 0.000 0.436 61 E N 3.780 123.851 120.200 -0.214 0.000 2.195 61 E HA 0.557 4.906 4.350 -0.001 0.000 0.271 61 E C -0.837 175.648 176.600 -0.192 0.000 0.923 61 E CA -0.631 55.647 56.400 -0.204 0.000 0.790 61 E CB 2.296 32.017 29.700 0.035 0.000 1.155 61 E HN 0.498 nan 8.360 nan 0.000 0.402 62 F N 0.769 120.617 119.950 -0.169 0.000 2.440 62 F HA 0.035 4.561 4.527 -0.001 0.000 0.323 62 F C 1.180 176.727 175.800 -0.421 0.000 1.192 62 F CA -0.384 57.441 58.000 -0.292 0.000 1.252 62 F CB 0.607 39.411 39.000 -0.326 0.000 1.214 62 F HN 0.314 nan 8.300 nan 0.000 0.578 63 D N 1.189 121.543 120.400 -0.076 0.000 2.479 63 D HA 0.094 4.734 4.640 -0.001 0.000 0.218 63 D C 0.026 176.226 176.300 -0.167 0.000 1.131 63 D CA -0.150 53.811 54.000 -0.065 0.000 0.916 63 D CB -0.175 40.638 40.800 0.022 0.000 1.022 63 D HN 0.315 nan 8.370 nan 0.000 0.515 64 H N 1.238 120.238 119.070 -0.117 0.000 2.581 64 H HA 0.291 4.846 4.556 -0.001 0.000 0.369 64 H C 0.412 175.514 175.328 -0.376 0.000 1.351 64 H CA 0.078 55.884 56.048 -0.403 0.000 1.434 64 H CB 0.789 30.065 29.762 -0.811 0.000 1.558 64 H HN 0.374 nan 8.280 nan 0.000 0.608 65 Q N -0.544 119.164 119.800 -0.154 0.000 2.387 65 Q HA 0.688 5.028 4.340 -0.001 0.000 0.273 65 Q C -1.025 175.095 176.000 0.200 0.000 1.089 65 Q CA -1.073 54.764 55.803 0.057 0.000 0.824 65 Q CB 2.967 31.732 28.738 0.045 0.000 1.367 65 Q HN 0.722 nan 8.270 nan 0.000 0.443 66 A N 1.126 124.126 122.820 0.301 0.000 2.430 66 A HA 0.878 5.197 4.320 -0.001 0.000 0.300 66 A C -1.502 176.152 177.584 0.117 0.000 1.124 66 A CA -0.587 51.611 52.037 0.267 0.000 0.766 66 A CB 1.974 21.142 19.000 0.280 0.000 1.328 66 A HN 0.444 nan 8.150 nan 0.000 0.424 67 V N 1.421 121.373 119.914 0.063 0.000 3.078 67 V HA 0.617 4.736 4.120 -0.001 0.000 0.311 67 V C -0.488 175.573 176.094 -0.055 0.000 1.138 67 V CA -0.893 61.404 62.300 -0.005 0.000 1.007 67 V CB 2.061 33.877 31.823 -0.011 0.000 1.045 67 V HN 1.239 nan 8.190 nan 0.000 0.432 68 L N 3.316 124.441 121.223 -0.162 0.000 2.483 68 L HA 0.435 4.775 4.340 -0.001 0.000 0.275 68 L C -0.548 176.229 176.870 -0.156 0.000 1.220 68 L CA 0.028 54.664 54.840 -0.340 0.000 0.833 68 L CB 0.299 41.869 42.059 -0.815 0.000 1.102 68 L HN 0.667 nan 8.230 nan 0.000 0.490 69 L N 3.314 124.534 121.223 -0.005 0.000 3.209 69 L HA 0.504 4.843 4.340 -0.001 0.000 0.279 69 L C 0.380 177.318 176.870 0.114 0.000 1.301 69 L CA -0.165 54.708 54.840 0.055 0.000 1.004 69 L CB 0.437 42.538 42.059 0.070 0.000 1.402 69 L HN 0.896 nan 8.230 nan 0.000 0.577 70 G N 0.199 109.130 108.800 0.219 0.000 2.719 70 G HA2 0.630 4.589 3.960 -0.001 0.000 0.298 70 G HA3 0.630 4.589 3.960 -0.001 0.000 0.298 70 G C -1.178 173.757 174.900 0.059 0.000 1.433 70 G CA -0.361 44.810 45.100 0.120 0.000 1.034 70 G HN -0.184 nan 8.290 nan 0.000 0.517 71 K N 1.770 122.117 120.400 -0.088 0.000 2.422 71 K HA 0.474 4.793 4.320 -0.001 0.000 0.251 71 K C -2.876 173.626 176.600 -0.163 0.000 0.933 71 K CA -2.006 54.225 56.287 -0.094 0.000 0.798 71 K CB 2.852 35.284 32.500 -0.114 0.000 1.238 71 K HN 0.210 nan 8.250 nan 0.000 0.428 72 P HA 0.067 nan 4.420 nan 0.000 0.264 72 P C 0.385 177.515 177.300 -0.283 0.000 1.193 72 P CA 0.386 63.354 63.100 -0.220 0.000 0.763 72 P CB 0.562 32.181 31.700 -0.135 0.000 0.810 73 S N 2.190 117.587 115.700 -0.506 0.000 2.383 73 S HA -0.100 4.370 4.470 -0.001 0.000 0.229 73 S C 0.432 174.647 174.600 -0.642 0.000 1.030 73 S CA 1.117 58.869 58.200 -0.745 0.000 1.002 73 S CB -0.282 62.089 63.200 -1.383 0.000 0.829 73 S HN 0.611 nan 8.310 nan 0.000 0.467 74 W N 0.410 121.704 121.300 -0.011 0.000 2.128 74 W HA 0.550 5.210 4.660 -0.001 0.000 0.356 74 W C -0.196 176.316 176.519 -0.011 0.000 0.891 74 W CA -0.818 56.524 57.345 -0.005 0.000 2.408 74 W CB -1.188 28.273 29.460 0.001 0.000 1.234 74 W HN 0.039 nan 8.180 nan 0.000 0.597 75 L N 0.225 121.495 121.223 0.079 0.000 4.040 75 L HA -0.215 4.124 4.340 -0.001 0.000 0.410 75 L C 1.236 178.146 176.870 0.067 0.000 1.187 75 L CA 0.892 55.767 54.840 0.058 0.000 0.956 75 L CB -1.552 40.551 42.059 0.074 0.000 2.022 75 L HN 0.193 nan 8.230 nan 0.000 0.897 76 G N -0.573 108.263 108.800 0.060 0.000 2.594 76 G HA2 0.402 4.362 3.960 -0.001 0.000 0.243 76 G HA3 0.402 4.362 3.960 -0.001 0.000 0.243 76 G C 0.953 175.845 174.900 -0.013 0.000 1.229 76 G CA 0.284 45.414 45.100 0.049 0.000 0.843 76 G HN 0.351 nan 8.290 nan 0.000 0.578 77 G N -1.186 107.631 108.800 0.028 0.000 3.519 77 G HA2 0.586 4.546 3.960 -0.001 0.000 0.269 77 G HA3 0.586 4.546 3.960 -0.001 0.000 0.269 77 G C 0.640 175.618 174.900 0.130 0.000 1.028 77 G CA 0.625 45.784 45.100 0.098 0.000 0.809 77 G HN 1.906 nan 8.290 nan 0.000 0.521 78 G N -0.215 108.586 108.800 0.002 0.000 3.067 78 G HA2 0.364 4.323 3.960 -0.001 0.000 0.686 78 G HA3 0.364 4.323 3.960 -0.001 0.000 0.686 78 G C -0.273 174.694 174.900 0.112 0.000 1.119 78 G CA -0.234 44.908 45.100 0.071 0.000 0.790 78 G HN 1.250 nan 8.290 nan 0.000 0.605 79 S N 0.186 115.976 115.700 0.150 0.000 2.806 79 S HA 0.899 5.369 4.470 -0.001 0.000 0.306 79 S C 0.142 174.890 174.600 0.246 0.000 1.167 79 S CA -0.320 57.975 58.200 0.159 0.000 0.847 79 S CB 1.782 65.063 63.200 0.135 0.000 1.216 79 S HN 1.207 nan 8.310 nan 0.000 0.532 80 T N 1.953 116.626 114.554 0.199 0.000 2.882 80 T HA 0.488 4.837 4.350 -0.001 0.000 0.287 80 T C -0.514 174.289 174.700 0.172 0.000 1.014 80 T CA -0.393 61.845 62.100 0.231 0.000 1.049 80 T CB 0.276 69.221 68.868 0.129 0.000 1.001 80 T HN 0.487 nan 8.240 nan 0.000 0.525 81 Q N 0.992 120.848 119.800 0.094 0.000 3.712 81 Q HA 0.202 4.541 4.340 -0.001 0.000 0.242 81 Q C -2.275 173.665 176.000 -0.100 0.000 0.837 81 Q CA -1.300 54.409 55.803 -0.158 0.000 0.826 81 Q CB 1.444 29.775 28.738 -0.678 0.000 1.529 81 Q HN 0.363 nan 8.270 nan 0.000 0.405 82 P HA -0.166 nan 4.420 nan 0.000 0.215 82 P C 0.019 177.311 177.300 -0.013 0.000 1.163 82 P CA 1.419 64.524 63.100 0.009 0.000 0.894 82 P CB 0.365 32.075 31.700 0.016 0.000 0.791 83 A N -0.417 122.385 122.820 -0.029 0.000 2.301 83 A HA 0.288 4.607 4.320 -0.001 0.000 0.312 83 A C 0.059 177.610 177.584 -0.055 0.000 1.182 83 A CA -0.476 51.545 52.037 -0.027 0.000 0.826 83 A CB -0.009 18.983 19.000 -0.012 0.000 1.134 83 A HN 0.081 nan 8.150 nan 0.000 0.501 84 Q N 1.053 120.828 119.800 -0.042 0.000 2.361 84 Q HA 0.356 4.695 4.340 -0.001 0.000 0.276 84 Q C -0.667 175.314 176.000 -0.031 0.000 1.022 84 Q CA 0.659 56.430 55.803 -0.053 0.000 0.898 84 Q CB 0.419 29.141 28.738 -0.026 0.000 1.246 84 Q HN 0.714 nan 8.270 nan 0.000 0.410 85 T N 3.799 118.329 114.554 -0.039 0.000 2.903 85 T HA 0.496 4.846 4.350 -0.001 0.000 0.299 85 T C -0.514 174.206 174.700 0.034 0.000 1.093 85 T CA -0.682 61.420 62.100 0.003 0.000 1.002 85 T CB 0.856 69.721 68.868 -0.005 0.000 1.127 85 T HN 0.535 nan 8.240 nan 0.000 0.488 86 I N 2.855 123.470 120.570 0.075 0.000 2.307 86 I HA 0.301 4.471 4.170 -0.001 0.000 0.289 86 I C -2.296 173.887 176.117 0.110 0.000 1.021 86 I CA -2.245 59.120 61.300 0.108 0.000 1.224 86 I CB 0.992 39.077 38.000 0.142 0.000 1.376 86 I HN 0.301 nan 8.210 nan 0.000 0.470 87 P HA -0.092 nan 4.420 nan 0.000 0.266 87 P C 0.935 178.293 177.300 0.097 0.000 1.195 87 P CA -0.227 62.924 63.100 0.085 0.000 0.768 87 P CB 0.354 32.058 31.700 0.007 0.000 0.838 88 W N 2.991 124.349 121.300 0.096 0.000 2.321 88 W HA -0.150 4.509 4.660 -0.001 0.000 0.306 88 W C 1.302 177.870 176.519 0.081 0.000 1.217 88 W CA 1.479 58.870 57.345 0.076 0.000 1.257 88 W CB -2.094 27.404 29.460 0.063 0.000 1.145 88 W HN 0.418 nan 8.180 nan 0.000 0.509 89 G N 2.039 110.274 108.800 -0.941 0.000 2.462 89 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.220 89 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.220 89 G C 1.473 176.267 174.900 -0.176 0.000 1.121 89 G CA 1.331 45.896 45.100 -0.891 0.000 0.758 89 G HN 0.175 nan 8.290 nan 0.000 0.559 90 I N 0.930 121.497 120.570 -0.004 0.000 2.315 90 I HA -0.060 4.110 4.170 -0.001 0.000 0.248 90 I C 2.471 178.610 176.117 0.037 0.000 1.117 90 I CA 1.002 62.352 61.300 0.085 0.000 1.404 90 I CB -0.961 37.110 38.000 0.120 0.000 1.071 90 I HN 0.350 nan 8.210 nan 0.000 0.419 91 E N 0.214 120.436 120.200 0.037 0.000 2.170 91 E HA -0.177 4.172 4.350 -0.001 0.000 0.191 91 E C 2.187 178.805 176.600 0.030 0.000 0.981 91 E CA 0.328 56.739 56.400 0.018 0.000 0.830 91 E CB -0.035 29.700 29.700 0.058 0.000 0.775 91 E HN 0.165 nan 8.360 nan 0.000 0.470 92 R N 1.099 121.639 120.500 0.068 0.000 2.127 92 R HA -0.085 4.254 4.340 -0.001 0.000 0.238 92 R C 1.812 178.122 176.300 0.016 0.000 1.134 92 R CA 0.816 56.963 56.100 0.079 0.000 0.975 92 R CB -0.527 29.858 30.300 0.142 0.000 0.865 92 R HN 0.082 nan 8.270 nan 0.000 0.447 93 V N 1.351 121.261 119.914 -0.007 0.000 3.620 93 V HA 0.083 4.202 4.120 -0.001 0.000 0.286 93 V C -0.427 175.659 176.094 -0.013 0.000 1.288 93 V CA 0.082 62.384 62.300 0.003 0.000 1.178 93 V CB -0.638 31.213 31.823 0.047 0.000 0.986 93 V HN 0.420 nan 8.190 nan 0.000 0.431 94 K N -0.263 120.115 120.400 -0.037 0.000 3.278 94 K HA -0.248 4.071 4.320 -0.001 0.000 0.270 94 K C 0.881 177.396 176.600 -0.141 0.000 0.955 94 K CA 0.867 57.105 56.287 -0.083 0.000 0.723 94 K CB -2.179 30.286 32.500 -0.058 0.000 1.382 94 K HN 0.627 nan 8.250 nan 0.000 0.461 95 A N -0.070 122.637 122.820 -0.188 0.000 1.887 95 A HA 0.091 4.411 4.320 -0.001 0.000 0.212 95 A C -0.581 176.499 177.584 -0.841 0.000 1.198 95 A CA 0.522 52.388 52.037 -0.285 0.000 0.628 95 A CB -0.443 18.525 19.000 -0.052 0.000 0.847 95 A HN 0.284 nan 8.150 nan 0.000 0.449 96 P HA -0.222 nan 4.420 nan 0.000 0.217 96 P C 1.812 178.515 177.300 -0.994 0.000 1.151 96 P CA 2.283 64.316 63.100 -1.778 0.000 0.849 96 P CB -0.139 31.021 31.700 -0.899 0.000 0.787 97 S N -1.835 113.549 115.700 -0.527 0.000 2.481 97 S HA -0.066 4.403 4.470 -0.001 0.000 0.231 97 S C 1.799 176.275 174.600 -0.207 0.000 0.996 97 S CA 0.951 58.988 58.200 -0.271 0.000 0.942 97 S CB -1.435 61.664 63.200 -0.168 0.000 0.768 97 S HN -0.021 nan 8.310 nan 0.000 0.520 98 V N 0.023 119.768 119.914 -0.282 0.000 2.719 98 V HA 0.000 4.120 4.120 -0.001 0.000 0.252 98 V C 2.155 178.283 176.094 0.058 0.000 1.065 98 V CA 0.718 62.958 62.300 -0.101 0.000 1.086 98 V CB -1.035 30.751 31.823 -0.062 0.000 0.700 98 V HN 0.577 nan 8.190 nan 0.000 0.467 99 W N 0.245 121.550 121.300 0.008 0.000 2.359 99 W HA -0.174 4.485 4.660 -0.001 0.000 0.275 99 W C 2.831 179.353 176.519 0.004 0.000 1.217 99 W CA 1.306 58.655 57.345 0.006 0.000 1.196 99 W CB -1.471 27.992 29.460 0.005 0.000 1.129 99 W HN 0.368 nan 8.180 nan 0.000 0.566 100 S N 0.199 116.014 115.700 0.192 0.000 2.382 100 S HA -0.131 4.339 4.470 -0.001 0.000 0.228 100 S C 1.775 176.425 174.600 0.083 0.000 1.027 100 S CA 1.397 59.664 58.200 0.112 0.000 0.991 100 S CB -0.160 63.077 63.200 0.061 0.000 0.823 100 S HN 0.181 nan 8.310 nan 0.000 0.469 101 I N -0.279 120.338 120.570 0.078 0.000 2.235 101 I HA 0.090 4.260 4.170 -0.001 0.000 0.241 101 I C 1.143 177.303 176.117 0.072 0.000 1.085 101 I CA 0.883 62.216 61.300 0.056 0.000 1.378 101 I CB 0.072 38.098 38.000 0.043 0.000 1.076 101 I HN 0.295 nan 8.210 nan 0.000 0.415 102 T N -0.580 114.043 114.554 0.114 0.000 2.893 102 T HA 0.142 4.491 4.350 -0.001 0.000 0.337 102 T C -1.349 173.453 174.700 0.170 0.000 1.587 102 T CA -0.667 61.499 62.100 0.111 0.000 1.066 102 T CB 1.367 70.288 68.868 0.089 0.000 1.414 102 T HN 0.326 nan 8.240 nan 0.000 0.488 103 D N 0.640 121.099 120.400 0.099 0.000 2.469 103 D HA 0.319 4.959 4.640 -0.001 0.000 0.215 103 D C 1.364 177.672 176.300 0.013 0.000 1.154 103 D CA 0.675 54.704 54.000 0.049 0.000 0.832 103 D CB 0.044 40.764 40.800 -0.133 0.000 1.008 103 D HN 1.248 nan 8.370 nan 0.000 0.506 104 G N 0.815 109.637 108.800 0.037 0.000 2.175 104 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.244 104 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.244 104 G C 0.757 175.648 174.900 -0.015 0.000 0.982 104 G CA 0.348 45.456 45.100 0.013 0.000 0.641 104 G HN 0.694 nan 8.290 nan 0.000 0.527 105 S N -0.220 115.470 115.700 -0.016 0.000 2.859 105 S HA 0.438 4.907 4.470 -0.001 0.000 0.245 105 S C 0.738 175.329 174.600 -0.016 0.000 1.008 105 S CA 0.306 58.492 58.200 -0.024 0.000 1.089 105 S CB -0.001 63.182 63.200 -0.027 0.000 0.798 105 S HN 1.656 nan 8.310 nan 0.000 0.477 106 V N 0.540 120.444 119.914 -0.016 0.000 2.408 106 V HA 0.397 4.517 4.120 -0.001 0.000 0.267 106 V C 1.435 177.487 176.094 -0.071 0.000 1.047 106 V CA -0.290 62.000 62.300 -0.017 0.000 0.937 106 V CB -0.042 31.787 31.823 0.010 0.000 0.999 106 V HN 0.479 nan 8.190 nan 0.000 0.472 107 S N 3.439 119.103 115.700 -0.059 0.000 2.400 107 S HA -0.240 4.229 4.470 -0.001 0.000 0.234 107 S C 1.645 176.166 174.600 -0.131 0.000 1.049 107 S CA 1.836 59.991 58.200 -0.075 0.000 1.039 107 S CB -0.657 62.518 63.200 -0.042 0.000 0.856 107 S HN 1.020 nan 8.310 nan 0.000 0.465 108 V N 1.224 121.001 119.914 -0.229 0.000 2.970 108 V HA 0.179 4.298 4.120 -0.001 0.000 0.260 108 V C 0.504 176.441 176.094 -0.262 0.000 1.100 108 V CA 0.609 62.726 62.300 -0.305 0.000 1.122 108 V CB -0.508 30.941 31.823 -0.624 0.000 0.721 108 V HN 0.436 nan 8.190 nan 0.000 0.483 109 I N 1.297 121.731 120.570 -0.226 0.000 2.395 109 I HA 0.481 4.650 4.170 -0.001 0.000 0.289 109 I C -0.258 175.745 176.117 -0.191 0.000 1.023 109 I CA 0.145 61.338 61.300 -0.179 0.000 1.350 109 I CB 0.950 38.877 38.000 -0.122 0.000 1.409 109 I HN 0.332 nan 8.210 nan 0.000 0.507 110 Q N 4.122 123.779 119.800 -0.239 0.000 2.345 110 Q HA 0.571 4.910 4.340 -0.001 0.000 0.275 110 Q C -1.173 174.651 176.000 -0.293 0.000 1.063 110 Q CA -0.509 55.065 55.803 -0.383 0.000 0.819 110 Q CB 3.150 31.402 28.738 -0.810 0.000 1.356 110 Q HN 0.386 nan 8.270 nan 0.000 0.418 111 V N 1.315 121.087 119.914 -0.237 0.000 2.409 111 V HA 0.842 4.962 4.120 -0.001 0.000 0.291 111 V C -0.729 175.337 176.094 -0.048 0.000 1.020 111 V CA -0.760 61.478 62.300 -0.103 0.000 0.848 111 V CB 1.556 33.349 31.823 -0.050 0.000 0.990 111 V HN 0.848 nan 8.190 nan 0.000 0.430 112 A N 5.100 127.947 122.820 0.045 0.000 2.274 112 A HA 0.762 5.082 4.320 -0.001 0.000 0.309 112 A C -0.573 177.082 177.584 0.118 0.000 1.226 112 A CA -0.425 51.715 52.037 0.171 0.000 0.853 112 A CB 1.003 20.162 19.000 0.266 0.000 1.146 112 A HN 0.682 nan 8.150 nan 0.000 0.518 113 V N 4.403 124.384 119.914 0.112 0.000 2.313 113 V HA 0.219 4.339 4.120 -0.001 0.000 0.278 113 V C -0.726 175.412 176.094 0.074 0.000 1.017 113 V CA -0.346 62.002 62.300 0.080 0.000 0.823 113 V CB 0.818 32.677 31.823 0.060 0.000 1.010 113 V HN 0.703 nan 8.190 nan 0.000 0.443 114 L N 5.573 126.840 121.223 0.073 0.000 2.312 114 L HA 0.550 4.889 4.340 -0.001 0.000 0.287 114 L C 0.280 177.188 176.870 0.062 0.000 1.091 114 L CA 0.951 55.824 54.840 0.056 0.000 0.846 114 L CB -0.018 42.075 42.059 0.056 0.000 1.219 114 L HN 0.678 nan 8.230 nan 0.000 0.439 115 D N -0.217 120.215 120.400 0.054 0.000 3.455 115 D HA 0.152 4.791 4.640 -0.001 0.000 0.320 115 D C 0.619 176.944 176.300 0.041 0.000 1.401 115 D CA 0.281 54.327 54.000 0.077 0.000 0.982 115 D CB 1.684 42.566 40.800 0.137 0.000 1.397 115 D HN 0.327 nan 8.370 nan 0.000 0.607 116 T N -1.069 113.518 114.554 0.055 0.000 3.215 116 T HA 0.438 4.788 4.350 -0.001 0.000 0.254 116 T C 0.980 175.682 174.700 0.003 0.000 1.149 116 T CA 1.058 63.166 62.100 0.014 0.000 1.042 116 T CB -0.336 68.539 68.868 0.012 0.000 0.966 116 T HN 0.803 nan 8.240 nan 0.000 0.534 117 G N -0.244 108.561 108.800 0.009 0.000 2.526 117 G HA2 0.159 4.118 3.960 -0.001 0.000 0.250 117 G HA3 0.159 4.118 3.960 -0.001 0.000 0.250 117 G C -1.056 173.847 174.900 0.005 0.000 1.289 117 G CA -0.469 44.631 45.100 -0.000 0.000 0.947 117 G HN 1.094 nan 8.290 nan 0.000 0.517 118 V N -0.483 119.441 119.914 0.016 0.000 3.087 118 V HA 0.673 4.792 4.120 -0.001 0.000 0.306 118 V C -1.161 174.915 176.094 -0.030 0.000 1.187 118 V CA 0.085 62.386 62.300 0.002 0.000 0.999 118 V CB 2.086 33.929 31.823 0.035 0.000 1.049 118 V HN 1.198 nan 8.190 nan 0.000 0.431 119 D N 3.399 123.742 120.400 -0.095 0.000 2.517 119 D HA 0.160 4.799 4.640 -0.001 0.000 0.220 119 D C 0.960 177.149 176.300 -0.185 0.000 1.158 119 D CA -0.092 53.779 54.000 -0.216 0.000 0.992 119 D CB 0.047 40.768 40.800 -0.131 0.000 1.058 119 D HN 0.601 nan 8.370 nan 0.000 0.516 120 Y N 0.265 120.568 120.300 0.005 0.000 2.446 120 Y HA -0.080 4.469 4.550 -0.001 0.000 0.287 120 Y C 1.003 176.921 175.900 0.031 0.000 1.159 120 Y CA 0.724 58.833 58.100 0.016 0.000 1.297 120 Y CB -0.255 38.208 38.460 0.005 0.000 0.974 120 Y HN 0.122 nan 8.280 nan 0.000 0.557 121 D N -0.728 119.601 120.400 -0.118 0.000 2.339 121 D HA -0.036 4.603 4.640 -0.001 0.000 0.217 121 D C -0.154 176.145 176.300 -0.001 0.000 1.050 121 D CA 0.177 54.175 54.000 -0.004 0.000 0.856 121 D CB -0.508 40.246 40.800 -0.076 0.000 0.922 121 D HN 0.538 nan 8.370 nan 0.000 0.518 122 H N 2.725 121.739 119.070 -0.093 0.000 3.145 122 H HA -0.014 4.541 4.556 -0.001 0.000 0.288 122 H C -1.081 174.228 175.328 -0.032 0.000 0.969 122 H CA -1.014 54.982 56.048 -0.086 0.000 1.444 122 H CB 1.258 30.952 29.762 -0.114 0.000 1.500 122 H HN -0.095 nan 8.280 nan 0.000 0.552 123 P HA -0.187 nan 4.420 nan 0.000 0.220 123 P C 0.526 177.944 177.300 0.196 0.000 1.144 123 P CA 1.220 64.388 63.100 0.113 0.000 0.800 123 P CB 0.422 32.148 31.700 0.042 0.000 0.772 124 D N -1.682 118.955 120.400 0.394 0.000 2.368 124 D HA 0.176 4.815 4.640 -0.001 0.000 0.218 124 D C 1.479 177.807 176.300 0.047 0.000 1.112 124 D CA 0.187 54.313 54.000 0.211 0.000 0.834 124 D CB -0.035 40.937 40.800 0.288 0.000 0.953 124 D HN 0.145 nan 8.370 nan 0.000 0.505 125 L N -1.455 119.802 121.223 0.056 0.000 2.860 125 L HA 0.329 4.669 4.340 -0.001 0.000 0.251 125 L C 2.227 179.122 176.870 0.042 0.000 1.041 125 L CA 0.400 55.236 54.840 -0.007 0.000 0.985 125 L CB -0.367 41.645 42.059 -0.079 0.000 1.656 125 L HN -0.107 nan 8.230 nan 0.000 0.526 126 A N 1.343 124.213 122.820 0.083 0.000 1.906 126 A HA -0.380 3.940 4.320 -0.001 0.000 0.222 126 A C 2.340 179.967 177.584 0.071 0.000 1.282 126 A CA 2.888 54.981 52.037 0.093 0.000 0.675 126 A CB -1.005 18.053 19.000 0.097 0.000 0.838 126 A HN 0.425 nan 8.150 nan 0.000 0.469 127 A N -1.051 121.799 122.820 0.050 0.000 2.076 127 A HA -0.175 4.144 4.320 -0.001 0.000 0.220 127 A C 1.711 179.312 177.584 0.029 0.000 1.160 127 A CA 1.839 53.897 52.037 0.035 0.000 0.653 127 A CB -0.514 18.497 19.000 0.018 0.000 0.801 127 A HN 0.604 nan 8.150 nan 0.000 0.455 128 N N -0.578 118.137 118.700 0.026 0.000 2.299 128 N HA 0.166 4.905 4.740 -0.001 0.000 0.187 128 N C -0.049 175.492 175.510 0.052 0.000 1.099 128 N CA 0.171 53.232 53.050 0.019 0.000 0.867 128 N CB 0.148 38.629 38.487 -0.011 0.000 0.974 128 N HN 0.468 nan 8.380 nan 0.000 0.477 129 I N 1.399 122.016 120.570 0.079 0.000 2.311 129 I HA 0.109 4.279 4.170 -0.001 0.000 0.297 129 I C 1.197 177.408 176.117 0.157 0.000 1.131 129 I CA -0.336 61.038 61.300 0.122 0.000 1.289 129 I CB 0.912 38.988 38.000 0.126 0.000 1.446 129 I HN -0.030 nan 8.210 nan 0.000 0.524 130 A N 6.396 129.350 122.820 0.224 0.000 2.030 130 A HA -0.000 4.319 4.320 -0.001 0.000 0.215 130 A C 0.276 178.092 177.584 0.386 0.000 1.164 130 A CA 0.582 52.783 52.037 0.272 0.000 0.697 130 A CB 0.179 19.352 19.000 0.289 0.000 0.827 130 A HN 0.710 nan 8.150 nan 0.000 0.457 131 W N -2.094 119.305 121.300 0.166 0.000 3.425 131 W HA 0.522 5.182 4.660 -0.001 0.000 0.318 131 W C -1.855 174.656 176.519 -0.014 0.000 1.201 131 W CA -1.533 55.796 57.345 -0.026 0.000 1.212 131 W CB 1.234 30.468 29.460 -0.378 0.000 1.355 131 W HN -0.044 nan 8.180 nan 0.000 0.515 132 c N 8.091 126.524 118.600 -0.278 0.000 2.407 132 c HA 0.818 5.388 4.570 -0.001 0.000 0.328 132 c C -0.476 173.264 174.090 -0.584 0.000 1.137 132 c CA -0.205 55.920 56.329 -0.339 0.000 1.390 132 c CB -0.831 41.574 42.510 -0.175 0.000 1.989 132 c HN 0.531 nan 8.230 nan 0.000 0.432 133 V N 2.988 122.497 119.914 -0.674 0.000 3.160 133 V HA 0.961 5.080 4.120 -0.001 0.000 0.310 133 V C -0.464 175.416 176.094 -0.357 0.000 1.181 133 V CA -0.446 61.485 62.300 -0.615 0.000 1.047 133 V CB 1.754 32.972 31.823 -1.008 0.000 1.068 133 V HN 0.744 nan 8.190 nan 0.000 0.441 134 S N -0.032 115.512 115.700 -0.259 0.000 2.541 134 S HA 0.708 5.178 4.470 -0.001 0.000 0.280 134 S C 0.139 174.653 174.600 -0.143 0.000 1.112 134 S CA 0.275 58.378 58.200 -0.162 0.000 0.925 134 S CB 2.003 65.137 63.200 -0.109 0.000 1.067 134 S HN 1.790 nan 8.310 nan 0.000 0.479 135 T N 2.086 116.568 114.554 -0.119 0.000 3.252 135 T HA 0.378 4.727 4.350 -0.001 0.000 0.286 135 T C 0.300 174.943 174.700 -0.095 0.000 1.013 135 T CA -0.336 61.687 62.100 -0.129 0.000 0.914 135 T CB -0.571 68.205 68.868 -0.152 0.000 1.131 135 T HN 0.505 nan 8.240 nan 0.000 0.529 136 L N 2.036 123.220 121.223 -0.065 0.000 2.490 136 L HA 0.318 4.658 4.340 -0.001 0.000 0.274 136 L C 0.926 177.777 176.870 -0.033 0.000 1.201 136 L CA -0.090 54.728 54.840 -0.038 0.000 0.869 136 L CB 0.033 42.076 42.059 -0.028 0.000 1.123 136 L HN 0.444 nan 8.230 nan 0.000 0.484 137 R N 1.964 122.455 120.500 -0.016 0.000 3.776 137 R HA -0.192 4.148 4.340 -0.001 0.000 0.312 137 R C 0.974 177.267 176.300 -0.011 0.000 1.181 137 R CA 0.389 56.487 56.100 -0.003 0.000 0.836 137 R CB -2.266 28.035 30.300 0.002 0.000 1.324 137 R HN 1.144 nan 8.270 nan 0.000 0.501 138 G N 0.289 109.059 108.800 -0.050 0.000 2.155 138 G HA2 -0.405 3.554 3.960 -0.001 0.000 0.257 138 G HA3 -0.405 3.554 3.960 -0.001 0.000 0.257 138 G C -0.118 174.729 174.900 -0.088 0.000 0.983 138 G CA 1.027 46.071 45.100 -0.094 0.000 0.676 138 G HN 0.564 nan 8.290 nan 0.000 0.528 139 K N -0.619 119.740 120.400 -0.070 0.000 2.426 139 K HA 0.734 5.054 4.320 -0.001 0.000 0.254 139 K C -0.361 176.204 176.600 -0.058 0.000 0.936 139 K CA -1.125 55.147 56.287 -0.026 0.000 0.801 139 K CB 2.649 35.151 32.500 0.004 0.000 1.139 139 K HN 0.197 nan 8.250 nan 0.000 0.424 140 V N 2.806 122.703 119.914 -0.029 0.000 2.427 140 V HA 0.244 4.364 4.120 -0.001 0.000 0.268 140 V C -0.193 175.884 176.094 -0.028 0.000 1.046 140 V CA -0.221 62.056 62.300 -0.039 0.000 0.970 140 V CB 0.630 32.471 31.823 0.029 0.000 1.001 140 V HN 0.878 nan 8.190 nan 0.000 0.476 141 S N 3.324 118.983 115.700 -0.069 0.000 2.503 141 S HA 0.439 4.908 4.470 -0.001 0.000 0.301 141 S C 0.609 175.149 174.600 -0.101 0.000 1.087 141 S CA -0.132 58.031 58.200 -0.062 0.000 1.042 141 S CB 1.892 65.056 63.200 -0.060 0.000 1.043 141 S HN 0.816 nan 8.310 nan 0.000 0.489 142 T N 2.969 117.484 114.554 -0.065 0.000 3.085 142 T HA 0.317 4.666 4.350 -0.001 0.000 0.264 142 T C -0.127 174.520 174.700 -0.088 0.000 1.019 142 T CA -0.094 61.959 62.100 -0.079 0.000 0.910 142 T CB -0.302 68.586 68.868 0.033 0.000 1.059 142 T HN 0.563 nan 8.240 nan 0.000 0.542 143 K N 1.475 121.827 120.400 -0.080 0.000 2.322 143 K HA 0.326 4.645 4.320 -0.001 0.000 0.283 143 K C 1.102 177.637 176.600 -0.109 0.000 1.042 143 K CA -0.359 55.881 56.287 -0.078 0.000 0.958 143 K CB 1.272 33.744 32.500 -0.047 0.000 0.984 143 K HN 0.170 nan 8.250 nan 0.000 0.473 144 L N 2.943 124.074 121.223 -0.154 0.000 2.043 144 L HA -0.284 4.055 4.340 -0.001 0.000 0.212 144 L C 2.468 179.329 176.870 -0.015 0.000 1.075 144 L CA 1.664 56.356 54.840 -0.246 0.000 0.752 144 L CB -0.561 41.254 42.059 -0.406 0.000 0.891 144 L HN 0.679 nan 8.230 nan 0.000 0.432 145 R N -0.351 120.158 120.500 0.015 0.000 2.152 145 R HA -0.152 4.187 4.340 -0.001 0.000 0.232 145 R C 1.333 177.654 176.300 0.035 0.000 1.117 145 R CA 1.741 57.875 56.100 0.056 0.000 0.981 145 R CB -0.502 29.815 30.300 0.027 0.000 0.870 145 R HN 0.337 nan 8.270 nan 0.000 0.451 146 D N 0.744 121.143 120.400 -0.002 0.000 2.240 146 D HA -0.047 4.593 4.640 -0.001 0.000 0.206 146 D C 1.902 178.190 176.300 -0.021 0.000 0.963 146 D CA 1.214 55.204 54.000 -0.017 0.000 0.863 146 D CB 0.018 40.794 40.800 -0.040 0.000 0.973 146 D HN 0.503 nan 8.370 nan 0.000 0.501 147 c N 0.950 119.535 118.600 -0.025 0.000 2.539 147 c HA 0.581 5.151 4.570 -0.001 0.000 0.268 147 c C 1.407 175.538 174.090 0.068 0.000 1.395 147 c CA -0.659 55.653 56.329 -0.029 0.000 1.757 147 c CB -1.063 41.385 42.510 -0.104 0.000 1.851 147 c HN 0.110 nan 8.230 nan 0.000 0.545 148 A N 1.924 124.834 122.820 0.149 0.000 2.531 148 A HA 0.320 4.639 4.320 -0.001 0.000 0.236 148 A C 0.080 177.674 177.584 0.017 0.000 1.062 148 A CA 0.352 52.472 52.037 0.139 0.000 0.760 148 A CB -0.028 19.047 19.000 0.126 0.000 0.995 148 A HN 0.621 nan 8.150 nan 0.000 0.501 149 D N 1.039 121.419 120.400 -0.032 0.000 2.383 149 D HA 0.159 4.798 4.640 -0.001 0.000 0.252 149 D C 0.535 176.789 176.300 -0.076 0.000 1.166 149 D CA 0.273 54.238 54.000 -0.058 0.000 0.879 149 D CB 0.729 41.476 40.800 -0.088 0.000 1.164 149 D HN 0.421 nan 8.370 nan 0.000 0.462 150 Q N 2.739 122.503 119.800 -0.060 0.000 2.217 150 Q HA 0.069 4.409 4.340 -0.001 0.000 0.217 150 Q C 0.518 176.480 176.000 -0.063 0.000 0.844 150 Q CA -0.031 55.738 55.803 -0.058 0.000 0.957 150 Q CB 0.636 29.353 28.738 -0.035 0.000 1.127 150 Q HN 0.573 nan 8.270 nan 0.000 0.503 151 N N -0.576 118.077 118.700 -0.078 0.000 2.594 151 N HA 0.000 4.740 4.740 -0.001 0.000 0.237 151 N C 1.088 176.503 175.510 -0.157 0.000 1.057 151 N CA 1.482 54.490 53.050 -0.069 0.000 0.883 151 N CB 1.312 39.782 38.487 -0.029 0.000 1.538 151 N HN 0.198 nan 8.380 nan 0.000 0.451 152 G N 0.572 109.237 108.800 -0.225 0.000 2.428 152 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.199 152 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.199 152 G C 0.904 175.683 174.900 -0.202 0.000 1.005 152 G CA 0.436 45.205 45.100 -0.551 0.000 0.671 152 G HN 0.505 nan 8.290 nan 0.000 0.485 153 H N 1.263 120.285 119.070 -0.081 0.000 2.251 153 H HA -0.137 4.418 4.556 -0.001 0.000 0.294 153 H C 2.809 178.161 175.328 0.041 0.000 1.078 153 H CA 3.085 59.147 56.048 0.023 0.000 1.246 153 H CB -0.715 29.047 29.762 0.001 0.000 1.358 153 H HN 0.445 nan 8.280 nan 0.000 0.488 154 G N -0.566 108.331 108.800 0.162 0.000 2.469 154 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.219 154 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.219 154 G C 1.810 176.719 174.900 0.014 0.000 1.150 154 G CA 1.575 46.727 45.100 0.085 0.000 0.763 154 G HN 0.451 nan 8.290 nan 0.000 0.561 155 T N -0.452 114.087 114.554 -0.025 0.000 2.788 155 T HA -0.120 4.229 4.350 -0.001 0.000 0.268 155 T C 2.009 176.685 174.700 -0.041 0.000 1.044 155 T CA 1.299 63.361 62.100 -0.064 0.000 1.139 155 T CB -0.313 68.483 68.868 -0.120 0.000 0.867 155 T HN 0.418 nan 8.240 nan 0.000 0.454 156 H N 0.572 119.607 119.070 -0.057 0.000 2.333 156 H HA 0.025 4.580 4.556 -0.001 0.000 0.302 156 H C 2.268 177.537 175.328 -0.097 0.000 1.075 156 H CA 1.260 57.294 56.048 -0.023 0.000 1.348 156 H CB -0.292 29.497 29.762 0.045 0.000 1.393 156 H HN 0.164 nan 8.280 nan 0.000 0.509 157 V N 1.416 121.350 119.914 0.033 0.000 2.343 157 V HA -0.247 3.873 4.120 -0.001 0.000 0.247 157 V C 2.851 178.911 176.094 -0.057 0.000 1.051 157 V CA 1.745 64.030 62.300 -0.026 0.000 1.036 157 V CB -0.523 31.272 31.823 -0.048 0.000 0.654 157 V HN 0.336 nan 8.190 nan 0.000 0.451 158 I N 0.796 121.335 120.570 -0.051 0.000 2.394 158 I HA -0.132 4.038 4.170 -0.001 0.000 0.251 158 I C 2.464 178.519 176.117 -0.104 0.000 1.136 158 I CA 1.528 62.792 61.300 -0.059 0.000 1.425 158 I CB -0.709 37.268 38.000 -0.038 0.000 1.079 158 I HN 0.412 nan 8.210 nan 0.000 0.425 159 G N -0.219 108.490 108.800 -0.151 0.000 2.484 159 G HA2 -0.146 3.813 3.960 -0.001 0.000 0.218 159 G HA3 -0.146 3.813 3.960 -0.001 0.000 0.218 159 G C 1.613 176.401 174.900 -0.186 0.000 1.130 159 G CA 0.869 45.857 45.100 -0.186 0.000 0.784 159 G HN 0.255 nan 8.290 nan 0.000 0.543 160 T N 0.947 115.373 114.554 -0.214 0.000 2.951 160 T HA 0.090 4.440 4.350 -0.001 0.000 0.268 160 T C 2.274 176.838 174.700 -0.226 0.000 1.073 160 T CA 0.450 62.389 62.100 -0.270 0.000 1.134 160 T CB 0.010 68.670 68.868 -0.346 0.000 0.884 160 T HN 0.258 nan 8.240 nan 0.000 0.479 161 I N 0.428 120.907 120.570 -0.150 0.000 2.385 161 I HA 0.135 4.305 4.170 -0.001 0.000 0.244 161 I C 1.950 178.025 176.117 -0.070 0.000 1.089 161 I CA 0.716 61.959 61.300 -0.094 0.000 1.410 161 I CB 0.041 38.005 38.000 -0.060 0.000 1.117 161 I HN 0.091 nan 8.210 nan 0.000 0.429 162 A N 0.642 123.414 122.820 -0.080 0.000 2.616 162 A HA 0.674 4.994 4.320 -0.001 0.000 0.294 162 A C 0.496 178.023 177.584 -0.096 0.000 1.091 162 A CA -0.329 51.659 52.037 -0.081 0.000 0.971 162 A CB -0.290 18.674 19.000 -0.061 0.000 1.222 162 A HN 0.176 nan 8.150 nan 0.000 0.521 163 A N 0.466 123.222 122.820 -0.106 0.000 2.511 163 A HA 0.498 4.817 4.320 -0.001 0.000 0.242 163 A C 0.367 177.885 177.584 -0.110 0.000 1.069 163 A CA -0.010 51.968 52.037 -0.099 0.000 0.763 163 A CB -0.211 18.738 19.000 -0.085 0.000 1.001 163 A HN 0.599 nan 8.150 nan 0.000 0.498 164 L N 2.013 123.186 121.223 -0.083 0.000 2.490 164 L HA -0.001 4.338 4.340 -0.001 0.000 0.274 164 L C 0.814 177.604 176.870 -0.134 0.000 1.201 164 L CA -0.154 54.625 54.840 -0.102 0.000 0.869 164 L CB 0.103 42.134 42.059 -0.046 0.000 1.123 164 L HN 0.788 nan 8.230 nan 0.000 0.484 165 N N 2.872 121.447 118.700 -0.209 0.000 2.469 165 N HA 0.163 4.903 4.740 -0.001 0.000 0.239 165 N C -0.701 174.733 175.510 -0.126 0.000 1.053 165 N CA -0.265 52.646 53.050 -0.232 0.000 0.937 165 N CB 0.065 38.295 38.487 -0.429 0.000 1.163 165 N HN 0.727 nan 8.380 nan 0.000 0.509 166 N N 1.374 120.032 118.700 -0.071 0.000 3.657 166 N HA 0.299 5.038 4.740 -0.001 0.000 0.320 166 N C -0.646 174.855 175.510 -0.015 0.000 1.445 166 N CA -0.379 52.650 53.050 -0.034 0.000 0.625 166 N CB 0.350 38.827 38.487 -0.017 0.000 3.293 166 N HN 0.014 nan 8.380 nan 0.000 0.536 167 D N -0.344 120.055 120.400 -0.002 0.000 2.395 167 D HA 0.286 4.926 4.640 -0.001 0.000 0.213 167 D C 0.098 176.399 176.300 0.001 0.000 1.110 167 D CA 0.104 54.105 54.000 0.002 0.000 0.835 167 D CB 0.594 41.398 40.800 0.007 0.000 0.965 167 D HN 0.572 nan 8.370 nan 0.000 0.505 168 I N -4.409 116.165 120.570 0.007 0.000 3.002 168 I HA 0.679 4.848 4.170 -0.001 0.000 0.310 168 I C 1.126 177.220 176.117 -0.039 0.000 1.087 168 I CA -0.774 60.531 61.300 0.007 0.000 1.017 168 I CB 2.150 40.196 38.000 0.078 0.000 1.226 168 I HN 0.027 nan 8.210 nan 0.000 0.443 169 G N 2.792 111.469 108.800 -0.204 0.000 2.690 169 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.334 169 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.334 169 G C 0.299 175.000 174.900 -0.332 0.000 1.250 169 G CA 1.864 46.590 45.100 -0.624 0.000 0.994 169 G HN 1.735 nan 8.290 nan 0.000 0.549 170 V N -3.178 116.646 119.914 -0.150 0.000 3.344 170 V HA 0.937 5.056 4.120 -0.001 0.000 0.301 170 V C 0.185 176.259 176.094 -0.033 0.000 1.286 170 V CA 0.109 62.369 62.300 -0.067 0.000 1.028 170 V CB 1.216 33.015 31.823 -0.039 0.000 1.223 170 V HN 2.178 nan 8.190 nan 0.000 0.478 171 V N -0.329 119.571 119.914 -0.023 0.000 2.891 171 V HA 0.843 4.962 4.120 -0.001 0.000 0.304 171 V C 0.197 176.278 176.094 -0.021 0.000 1.171 171 V CA 0.545 62.811 62.300 -0.056 0.000 0.943 171 V CB 1.409 33.187 31.823 -0.075 0.000 1.037 171 V HN 1.569 nan 8.190 nan 0.000 0.427 172 G N 3.340 112.098 108.800 -0.071 0.000 2.557 172 G HA2 0.453 4.412 3.960 -0.001 0.000 0.292 172 G HA3 0.453 4.412 3.960 -0.001 0.000 0.292 172 G C 0.910 175.867 174.900 0.094 0.000 1.237 172 G CA 0.214 45.292 45.100 -0.037 0.000 0.978 172 G HN 0.932 nan 8.290 nan 0.000 0.498 173 V N 0.506 120.475 119.914 0.091 0.000 2.343 173 V HA 0.012 4.131 4.120 -0.001 0.000 0.247 173 V C 1.940 178.219 176.094 0.307 0.000 1.051 173 V CA 2.224 64.654 62.300 0.215 0.000 1.036 173 V CB -0.516 31.366 31.823 0.098 0.000 0.654 173 V HN 0.822 nan 8.190 nan 0.000 0.451 174 A N 0.338 123.228 122.820 0.117 0.000 2.978 174 A HA 0.517 4.837 4.320 -0.001 0.000 0.341 174 A C -1.288 176.248 177.584 -0.080 0.000 1.105 174 A CA -1.005 51.065 52.037 0.056 0.000 0.819 174 A CB 0.344 19.369 19.000 0.042 0.000 1.080 174 A HN 0.312 nan 8.150 nan 0.000 0.476 175 P HA -0.108 nan 4.420 nan 0.000 0.229 175 P C 1.040 178.217 177.300 -0.205 0.000 1.150 175 P CA 1.821 64.751 63.100 -0.283 0.000 0.765 175 P CB 0.230 31.608 31.700 -0.537 0.000 0.783 176 G N -0.735 107.967 108.800 -0.163 0.000 3.228 176 G HA2 0.129 4.089 3.960 -0.001 0.000 0.245 176 G HA3 0.129 4.089 3.960 -0.001 0.000 0.245 176 G C 0.095 174.954 174.900 -0.067 0.000 1.051 176 G CA 0.032 45.068 45.100 -0.106 0.000 0.809 176 G HN 0.225 nan 8.290 nan 0.000 0.531 177 V N 0.942 120.819 119.914 -0.061 0.000 2.775 177 V HA 0.271 4.391 4.120 -0.001 0.000 0.299 177 V C 0.043 176.103 176.094 -0.056 0.000 1.062 177 V CA -0.442 61.826 62.300 -0.053 0.000 1.063 177 V CB 1.316 33.112 31.823 -0.045 0.000 0.994 177 V HN 0.426 nan 8.190 nan 0.000 0.483 178 Q N 5.223 124.980 119.800 -0.071 0.000 2.332 178 Q HA 0.397 4.736 4.340 -0.001 0.000 0.263 178 Q C -0.698 175.249 176.000 -0.088 0.000 0.979 178 Q CA -0.041 55.722 55.803 -0.067 0.000 0.885 178 Q CB 1.145 29.827 28.738 -0.093 0.000 1.218 178 Q HN 0.533 nan 8.270 nan 0.000 0.405 179 I N 2.396 122.964 120.570 -0.004 0.000 2.474 179 I HA 0.258 4.428 4.170 -0.001 0.000 0.294 179 I C -0.945 175.316 176.117 0.240 0.000 1.005 179 I CA -0.794 60.531 61.300 0.042 0.000 1.113 179 I CB 1.268 39.299 38.000 0.053 0.000 1.289 179 I HN 0.557 nan 8.210 nan 0.000 0.436 180 Y N 3.191 123.557 120.300 0.110 0.000 2.402 180 Y HA 0.251 4.800 4.550 -0.001 0.000 0.332 180 Y C 0.697 176.634 175.900 0.062 0.000 0.960 180 Y CA -1.157 57.042 58.100 0.166 0.000 1.228 180 Y CB 1.676 40.293 38.460 0.263 0.000 1.120 180 Y HN 0.430 nan 8.280 nan 0.000 0.491 181 S N 3.589 119.376 115.700 0.146 0.000 2.430 181 S HA 0.564 5.033 4.470 -0.001 0.000 0.289 181 S C -0.771 173.783 174.600 -0.076 0.000 1.143 181 S CA -0.439 57.784 58.200 0.038 0.000 1.067 181 S CB -0.041 63.175 63.200 0.026 0.000 0.964 181 S HN 0.318 nan 8.310 nan 0.000 0.485 182 V N 7.185 127.070 119.914 -0.048 0.000 2.304 182 V HA 0.394 4.514 4.120 -0.001 0.000 0.278 182 V C 0.371 176.425 176.094 -0.067 0.000 1.018 182 V CA -0.865 61.367 62.300 -0.113 0.000 0.814 182 V CB 0.718 32.505 31.823 -0.059 0.000 1.021 182 V HN 0.866 nan 8.190 nan 0.000 0.440 183 R N 3.722 124.169 120.500 -0.088 0.000 2.399 183 R HA 0.242 4.581 4.340 -0.001 0.000 0.324 183 R C 0.662 176.935 176.300 -0.044 0.000 1.030 183 R CA 0.299 56.368 56.100 -0.051 0.000 0.984 183 R CB 0.635 30.903 30.300 -0.054 0.000 0.961 183 R HN 0.697 nan 8.270 nan 0.000 0.433 184 V N 2.788 122.692 119.914 -0.017 0.000 3.432 184 V HA 0.344 4.464 4.120 -0.001 0.000 0.298 184 V C -0.139 175.959 176.094 0.006 0.000 1.464 184 V CA -0.291 62.006 62.300 -0.005 0.000 1.046 184 V CB -0.086 31.743 31.823 0.011 0.000 0.887 184 V HN 0.444 nan 8.190 nan 0.000 0.441 185 L N 1.881 123.102 121.223 -0.003 0.000 2.370 185 L HA 0.665 5.004 4.340 -0.001 0.000 0.266 185 L C -0.231 176.630 176.870 -0.016 0.000 1.002 185 L CA -0.833 54.002 54.840 -0.009 0.000 0.818 185 L CB 2.066 44.106 42.059 -0.030 0.000 1.325 185 L HN 0.292 nan 8.230 nan 0.000 0.418 186 D N 1.278 121.669 120.400 -0.015 0.000 2.398 186 D HA 0.220 4.859 4.640 -0.001 0.000 0.264 186 D C 1.070 177.356 176.300 -0.023 0.000 1.263 186 D CA -0.089 53.901 54.000 -0.016 0.000 1.037 186 D CB 0.608 41.401 40.800 -0.011 0.000 1.101 186 D HN 0.519 nan 8.370 nan 0.000 0.551 187 A N -0.924 121.884 122.820 -0.021 0.000 2.070 187 A HA -0.133 4.186 4.320 -0.001 0.000 0.220 187 A C 1.965 179.535 177.584 -0.024 0.000 1.159 187 A CA 0.997 53.020 52.037 -0.023 0.000 0.656 187 A CB -0.584 18.405 19.000 -0.019 0.000 0.800 187 A HN 0.493 nan 8.150 nan 0.000 0.453 188 R N -1.490 118.996 120.500 -0.023 0.000 2.317 188 R HA 0.251 4.590 4.340 -0.001 0.000 0.208 188 R C 1.160 177.434 176.300 -0.043 0.000 0.914 188 R CA 0.484 56.569 56.100 -0.025 0.000 1.060 188 R CB 0.047 30.336 30.300 -0.018 0.000 1.015 188 R HN 0.614 nan 8.270 nan 0.000 0.498 189 G N 1.080 109.846 108.800 -0.058 0.000 2.136 189 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.242 189 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.242 189 G C -0.010 174.844 174.900 -0.077 0.000 0.989 189 G CA 0.459 45.495 45.100 -0.105 0.000 0.682 189 G HN 0.348 nan 8.290 nan 0.000 0.522 190 S N -0.269 115.410 115.700 -0.036 0.000 2.489 190 S HA 0.777 5.247 4.470 -0.001 0.000 0.291 190 S C 0.355 174.964 174.600 0.015 0.000 1.151 190 S CA 0.624 58.819 58.200 -0.007 0.000 1.082 190 S CB 1.437 64.636 63.200 -0.001 0.000 1.019 190 S HN 1.678 nan 8.310 nan 0.000 0.492 191 G N 2.226 111.055 108.800 0.049 0.000 2.638 191 G HA2 0.535 4.495 3.960 -0.001 0.000 0.302 191 G HA3 0.535 4.495 3.960 -0.001 0.000 0.302 191 G C -0.707 174.280 174.900 0.145 0.000 1.365 191 G CA -0.669 44.477 45.100 0.078 0.000 0.987 191 G HN 0.957 nan 8.290 nan 0.000 0.495 192 S N 1.015 116.800 115.700 0.142 0.000 2.586 192 S HA 0.289 4.759 4.470 -0.001 0.000 0.274 192 S C 0.769 175.568 174.600 0.331 0.000 1.281 192 S CA -0.667 57.654 58.200 0.201 0.000 1.035 192 S CB 1.153 64.432 63.200 0.133 0.000 0.962 192 S HN 0.584 nan 8.310 nan 0.000 0.512 193 Y N 1.309 121.702 120.300 0.155 0.000 2.274 193 Y HA -0.223 4.327 4.550 -0.001 0.000 0.290 193 Y C 3.078 179.138 175.900 0.268 0.000 1.145 193 Y CA 0.955 59.166 58.100 0.186 0.000 1.203 193 Y CB -0.199 38.386 38.460 0.207 0.000 0.984 193 Y HN 0.916 nan 8.280 nan 0.000 0.533 194 S N -0.144 115.830 115.700 0.457 0.000 2.356 194 S HA -0.211 4.259 4.470 -0.001 0.000 0.223 194 S C 1.463 176.222 174.600 0.264 0.000 1.032 194 S CA 1.565 60.012 58.200 0.412 0.000 1.005 194 S CB -0.538 62.807 63.200 0.241 0.000 0.867 194 S HN 0.361 nan 8.310 nan 0.000 0.449 195 D N 1.642 122.132 120.400 0.151 0.000 2.218 195 D HA 0.053 4.692 4.640 -0.001 0.000 0.204 195 D C 1.867 178.206 176.300 0.065 0.000 0.976 195 D CA 0.848 54.879 54.000 0.052 0.000 0.853 195 D CB -0.343 40.476 40.800 0.031 0.000 0.939 195 D HN 0.483 nan 8.370 nan 0.000 0.481 196 I N 0.875 121.511 120.570 0.111 0.000 2.286 196 I HA -0.177 3.992 4.170 -0.001 0.000 0.245 196 I C 2.467 178.640 176.117 0.093 0.000 1.104 196 I CA 0.748 62.089 61.300 0.068 0.000 1.397 196 I CB -0.161 37.846 38.000 0.013 0.000 1.072 196 I HN -0.085 nan 8.210 nan 0.000 0.417 197 A N 1.214 124.136 122.820 0.170 0.000 1.902 197 A HA -0.173 4.146 4.320 -0.001 0.000 0.217 197 A C 2.272 180.068 177.584 0.353 0.000 1.181 197 A CA 1.511 53.681 52.037 0.222 0.000 0.623 197 A CB -0.854 18.340 19.000 0.324 0.000 0.818 197 A HN 0.387 nan 8.150 nan 0.000 0.443 198 I N -0.295 120.469 120.570 0.324 0.000 2.361 198 I HA -0.186 3.984 4.170 -0.001 0.000 0.251 198 I C 2.604 178.742 176.117 0.036 0.000 1.133 198 I CA 0.985 62.322 61.300 0.061 0.000 1.413 198 I CB -0.526 37.195 38.000 -0.464 0.000 1.073 198 I HN 0.401 nan 8.210 nan 0.000 0.424 199 G N 1.208 110.033 108.800 0.041 0.000 2.408 199 G HA2 -0.156 3.804 3.960 -0.001 0.000 0.217 199 G HA3 -0.156 3.804 3.960 -0.001 0.000 0.217 199 G C 1.686 176.640 174.900 0.091 0.000 1.150 199 G CA 0.427 45.547 45.100 0.034 0.000 0.776 199 G HN 0.314 nan 8.290 nan 0.000 0.542 200 I N 0.567 121.204 120.570 0.111 0.000 2.286 200 I HA -0.137 4.032 4.170 -0.001 0.000 0.248 200 I C 2.612 178.820 176.117 0.152 0.000 1.115 200 I CA 1.496 62.867 61.300 0.119 0.000 1.392 200 I CB -0.172 37.882 38.000 0.090 0.000 1.065 200 I HN 0.310 nan 8.210 nan 0.000 0.418 201 E N 0.699 121.015 120.200 0.194 0.000 2.072 201 E HA -0.249 4.101 4.350 -0.001 0.000 0.191 201 E C 2.199 178.926 176.600 0.211 0.000 0.985 201 E CA 1.062 57.599 56.400 0.229 0.000 0.801 201 E CB 0.132 30.046 29.700 0.356 0.000 0.750 201 E HN 0.367 nan 8.360 nan 0.000 0.452 202 Q N -0.068 119.854 119.800 0.203 0.000 2.167 202 Q HA -0.072 4.267 4.340 -0.001 0.000 0.202 202 Q C 2.075 178.275 176.000 0.332 0.000 0.970 202 Q CA 1.278 57.238 55.803 0.262 0.000 0.855 202 Q CB -0.292 28.560 28.738 0.190 0.000 0.911 202 Q HN 0.408 nan 8.270 nan 0.000 0.438 203 A N 0.451 123.435 122.820 0.274 0.000 1.969 203 A HA -0.105 4.215 4.320 -0.001 0.000 0.218 203 A C 2.107 179.846 177.584 0.259 0.000 1.169 203 A CA 0.902 53.132 52.037 0.321 0.000 0.635 203 A CB -0.419 18.727 19.000 0.243 0.000 0.810 203 A HN 0.298 nan 8.150 nan 0.000 0.445 204 I N -0.620 120.062 120.570 0.187 0.000 2.296 204 I HA -0.149 4.020 4.170 -0.001 0.000 0.242 204 I C 2.274 178.455 176.117 0.107 0.000 1.087 204 I CA 0.758 62.137 61.300 0.132 0.000 1.393 204 I CB -0.372 37.694 38.000 0.110 0.000 1.093 204 I HN 0.227 nan 8.210 nan 0.000 0.421 205 L N 0.741 122.033 121.223 0.115 0.000 2.079 205 L HA -0.042 4.297 4.340 -0.001 0.000 0.210 205 L C 1.376 178.232 176.870 -0.024 0.000 1.081 205 L CA 0.963 55.843 54.840 0.066 0.000 0.752 205 L CB -1.404 40.718 42.059 0.105 0.000 0.896 205 L HN 0.537 nan 8.230 nan 0.000 0.433 206 G N -0.833 107.934 108.800 -0.055 0.000 2.796 206 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.226 206 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.226 206 G C -2.030 172.330 174.900 -0.899 0.000 1.381 206 G CA -0.302 44.534 45.100 -0.440 0.000 0.867 206 G HN 0.050 nan 8.290 nan 0.000 0.552 207 P HA -0.070 nan 4.420 nan 0.000 0.216 207 P C 1.426 178.437 177.300 -0.483 0.000 1.153 207 P CA 2.104 64.432 63.100 -1.288 0.000 0.858 207 P CB -0.135 30.863 31.700 -1.171 0.000 0.789 208 D N -2.000 118.198 120.400 -0.337 0.000 2.363 208 D HA 0.030 4.669 4.640 -0.001 0.000 0.226 208 D C 1.467 177.707 176.300 -0.100 0.000 1.020 208 D CA 0.902 54.801 54.000 -0.168 0.000 0.892 208 D CB -1.203 39.522 40.800 -0.125 0.000 0.900 208 D HN 0.241 nan 8.370 nan 0.000 0.531 209 G N -0.812 107.928 108.800 -0.100 0.000 2.189 209 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.267 209 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.267 209 G C 0.107 175.005 174.900 -0.003 0.000 0.975 209 G CA 0.525 45.616 45.100 -0.016 0.000 0.644 209 G HN 0.460 nan 8.290 nan 0.000 0.537 210 V N 0.203 120.102 119.914 -0.025 0.000 2.495 210 V HA 0.744 4.863 4.120 -0.001 0.000 0.298 210 V C 1.297 177.389 176.094 -0.003 0.000 1.031 210 V CA 0.043 62.339 62.300 -0.007 0.000 0.871 210 V CB 1.175 32.990 31.823 -0.014 0.000 0.988 210 V HN 0.644 nan 8.190 nan 0.000 0.432 211 A N 3.066 125.895 122.820 0.016 0.000 1.835 211 A HA -0.071 4.248 4.320 -0.001 0.000 0.215 211 A C 1.141 178.732 177.584 0.011 0.000 1.199 211 A CA 1.731 53.781 52.037 0.022 0.000 0.615 211 A CB -0.191 18.829 19.000 0.034 0.000 0.838 211 A HN 0.781 nan 8.150 nan 0.000 0.444 212 D N -1.236 119.170 120.400 0.009 0.000 2.483 212 D HA 0.234 4.873 4.640 -0.001 0.000 0.281 212 D C 0.891 177.191 176.300 0.001 0.000 1.174 212 D CA -0.284 53.719 54.000 0.005 0.000 0.938 212 D CB 0.535 41.340 40.800 0.007 0.000 1.002 212 D HN 0.360 nan 8.370 nan 0.000 0.501 213 K N 1.649 122.046 120.400 -0.004 0.000 2.034 213 K HA -0.218 4.102 4.320 -0.001 0.000 0.214 213 K C 0.874 177.472 176.600 -0.004 0.000 1.051 213 K CA 2.053 58.336 56.287 -0.008 0.000 0.931 213 K CB 0.163 32.654 32.500 -0.015 0.000 0.715 213 K HN 0.282 nan 8.250 nan 0.000 0.446 214 D N -0.898 119.501 120.400 -0.002 0.000 2.349 214 D HA 0.034 4.673 4.640 -0.001 0.000 0.224 214 D C 0.754 177.056 176.300 0.003 0.000 1.029 214 D CA 0.681 54.681 54.000 0.001 0.000 0.879 214 D CB -0.286 40.516 40.800 0.003 0.000 0.906 214 D HN 0.436 nan 8.370 nan 0.000 0.528 215 G N 2.239 111.040 108.800 0.003 0.000 2.393 215 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.299 215 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.299 215 G C 0.227 175.130 174.900 0.005 0.000 0.990 215 G CA 0.590 45.692 45.100 0.004 0.000 1.118 215 G HN 0.577 nan 8.290 nan 0.000 0.513 216 D N -1.267 119.137 120.400 0.006 0.000 2.440 216 D HA 0.360 5.000 4.640 -0.001 0.000 0.216 216 D C 1.719 178.023 176.300 0.007 0.000 1.150 216 D CA 0.269 54.274 54.000 0.007 0.000 0.832 216 D CB -0.350 40.456 40.800 0.010 0.000 0.992 216 D HN 1.417 nan 8.370 nan 0.000 0.502 217 G N 0.673 109.476 108.800 0.005 0.000 2.212 217 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.266 217 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.266 217 G C 0.173 175.074 174.900 0.002 0.000 0.978 217 G CA 0.421 45.523 45.100 0.003 0.000 0.632 217 G HN 0.464 nan 8.290 nan 0.000 0.537 218 I N 0.925 121.499 120.570 0.006 0.000 2.336 218 I HA 0.494 4.663 4.170 -0.001 0.000 0.292 218 I C 1.294 177.416 176.117 0.008 0.000 0.991 218 I CA -0.825 60.480 61.300 0.009 0.000 1.227 218 I CB 1.200 39.213 38.000 0.022 0.000 1.366 218 I HN 0.016 nan 8.210 nan 0.000 0.466 219 I N 3.778 124.349 120.570 0.002 0.000 4.049 219 I HA 0.268 4.437 4.170 -0.001 0.000 0.237 219 I C 1.219 177.336 176.117 0.000 0.000 1.076 219 I CA -0.016 61.286 61.300 0.004 0.000 1.610 219 I CB -0.009 37.994 38.000 0.005 0.000 1.544 219 I HN 0.565 nan 8.210 nan 0.000 0.458 220 A N 0.939 123.755 122.820 -0.006 0.000 2.477 220 A HA 0.422 4.742 4.320 -0.001 0.000 0.246 220 A C 1.074 178.655 177.584 -0.006 0.000 1.078 220 A CA 0.688 52.718 52.037 -0.013 0.000 0.770 220 A CB -0.389 18.599 19.000 -0.021 0.000 1.011 220 A HN 0.929 nan 8.150 nan 0.000 0.494 221 G N 1.413 110.198 108.800 -0.025 0.000 2.176 221 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.253 221 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.253 221 G C -0.011 174.910 174.900 0.036 0.000 0.979 221 G CA 0.469 45.571 45.100 0.003 0.000 0.641 221 G HN 1.064 nan 8.290 nan 0.000 0.530 222 D N 0.826 121.231 120.400 0.008 0.000 2.359 222 D HA 0.457 5.096 4.640 -0.001 0.000 0.230 222 D C -0.125 176.171 176.300 -0.007 0.000 1.118 222 D CA -1.996 52.023 54.000 0.031 0.000 0.844 222 D CB 1.560 42.374 40.800 0.025 0.000 1.059 222 D HN 0.138 nan 8.370 nan 0.000 0.493 223 P HA -0.123 nan 4.420 nan 0.000 0.221 223 P C 0.383 177.678 177.300 -0.008 0.000 1.145 223 P CA 0.786 63.874 63.100 -0.020 0.000 0.795 223 P CB 0.564 32.289 31.700 0.042 0.000 0.775 224 D N -0.477 119.927 120.400 0.007 0.000 2.277 224 D HA -0.010 4.629 4.640 -0.001 0.000 0.208 224 D C 0.648 176.941 176.300 -0.012 0.000 0.962 224 D CA 0.914 54.914 54.000 0.000 0.000 0.865 224 D CB 0.011 40.816 40.800 0.008 0.000 0.939 224 D HN 0.269 nan 8.370 nan 0.000 0.510 225 D N 0.523 120.914 120.400 -0.014 0.000 2.385 225 D HA 0.101 4.740 4.640 -0.001 0.000 0.254 225 D C 0.251 176.535 176.300 -0.026 0.000 1.053 225 D CA -0.289 53.698 54.000 -0.020 0.000 0.992 225 D CB 1.622 42.415 40.800 -0.010 0.000 1.145 225 D HN -0.021 nan 8.370 nan 0.000 0.523 226 D N -1.321 119.062 120.400 -0.027 0.000 2.538 226 D HA 0.257 4.897 4.640 -0.001 0.000 0.231 226 D C 0.128 176.474 176.300 0.075 0.000 1.229 226 D CA -0.506 53.492 54.000 -0.002 0.000 0.828 226 D CB -0.109 40.655 40.800 -0.060 0.000 1.035 226 D HN 0.274 nan 8.370 nan 0.000 0.495 227 A N 0.382 123.232 122.820 0.050 0.000 2.366 227 A HA 0.611 4.931 4.320 -0.001 0.000 0.249 227 A C 0.680 178.317 177.584 0.088 0.000 1.084 227 A CA -0.083 52.014 52.037 0.099 0.000 0.794 227 A CB 0.301 19.332 19.000 0.053 0.000 1.034 227 A HN 0.424 nan 8.150 nan 0.000 0.491 228 A N 0.407 123.306 122.820 0.132 0.000 2.304 228 A HA 0.564 4.884 4.320 -0.001 0.000 0.271 228 A C 0.660 178.238 177.584 -0.010 0.000 1.091 228 A CA -0.276 51.758 52.037 -0.006 0.000 0.812 228 A CB 0.245 19.285 19.000 0.067 0.000 1.056 228 A HN 0.799 nan 8.150 nan 0.000 0.489 229 E N 0.235 120.405 120.200 -0.051 0.000 2.526 229 E HA 0.261 4.611 4.350 -0.001 0.000 0.208 229 E C -0.591 176.003 176.600 -0.011 0.000 0.997 229 E CA 0.238 56.619 56.400 -0.031 0.000 0.961 229 E CB 0.195 29.866 29.700 -0.048 0.000 1.030 229 E HN 0.237 nan 8.360 nan 0.000 0.483 230 V N 1.720 121.632 119.914 -0.003 0.000 2.777 230 V HA 0.404 4.524 4.120 -0.001 0.000 0.306 230 V C -0.741 175.381 176.094 0.046 0.000 1.112 230 V CA -0.649 61.664 62.300 0.021 0.000 0.917 230 V CB 2.485 34.313 31.823 0.009 0.000 1.018 230 V HN 0.064 nan 8.190 nan 0.000 0.426 231 I N 2.980 123.591 120.570 0.068 0.000 2.411 231 I HA 0.448 4.617 4.170 -0.001 0.000 0.284 231 I C -0.175 175.992 176.117 0.084 0.000 1.012 231 I CA -0.166 61.186 61.300 0.086 0.000 1.119 231 I CB 1.954 40.013 38.000 0.097 0.000 1.261 231 I HN 0.594 nan 8.210 nan 0.000 0.448 232 S N 7.883 123.630 115.700 0.079 0.000 2.456 232 S HA 0.662 5.132 4.470 -0.001 0.000 0.316 232 S C -0.477 174.173 174.600 0.083 0.000 1.089 232 S CA -0.596 57.651 58.200 0.078 0.000 1.101 232 S CB 0.597 63.835 63.200 0.064 0.000 0.995 232 S HN 0.515 nan 8.310 nan 0.000 0.468 233 M N 4.128 123.781 119.600 0.088 0.000 1.999 233 M HA 0.263 4.743 4.480 -0.001 0.000 0.299 233 M C -0.058 176.302 176.300 0.100 0.000 0.900 233 M CA -0.326 55.027 55.300 0.088 0.000 0.904 233 M CB 1.611 34.256 32.600 0.075 0.000 1.477 233 M HN 0.426 nan 8.290 nan 0.000 0.403 234 S N 4.758 120.536 115.700 0.130 0.000 2.994 234 S HA 0.310 4.780 4.470 -0.001 0.000 0.247 234 S C -0.123 174.574 174.600 0.161 0.000 1.323 234 S CA -0.301 58.001 58.200 0.171 0.000 1.246 234 S CB -0.639 62.705 63.200 0.238 0.000 0.994 234 S HN 0.544 nan 8.310 nan 0.000 0.484 235 L N -2.439 118.840 121.223 0.093 0.000 2.491 235 L HA 1.067 5.407 4.340 -0.001 0.000 0.254 235 L C -0.223 176.680 176.870 0.055 0.000 1.048 235 L CA -0.779 54.093 54.840 0.054 0.000 0.855 235 L CB 0.990 43.068 42.059 0.031 0.000 1.466 235 L HN 0.207 nan 8.230 nan 0.000 0.409 236 G N -1.659 107.178 108.800 0.062 0.000 2.576 236 G HA2 0.739 4.698 3.960 -0.001 0.000 0.290 236 G HA3 0.739 4.698 3.960 -0.001 0.000 0.290 236 G C -1.393 173.591 174.900 0.141 0.000 1.442 236 G CA -0.072 45.076 45.100 0.081 0.000 0.792 236 G HN 1.217 nan 8.290 nan 0.000 0.491 237 G N -0.890 108.032 108.800 0.203 0.000 2.673 237 G HA2 0.708 4.667 3.960 -0.001 0.000 0.292 237 G HA3 0.708 4.667 3.960 -0.001 0.000 0.292 237 G C -2.256 172.797 174.900 0.254 0.000 1.450 237 G CA -0.617 44.640 45.100 0.261 0.000 0.837 237 G HN 0.440 nan 8.290 nan 0.000 0.505 238 P HA 0.183 nan 4.420 nan 0.000 0.240 238 P C 0.864 178.210 177.300 0.078 0.000 1.190 238 P CA 0.589 63.766 63.100 0.129 0.000 0.781 238 P CB 0.564 32.281 31.700 0.028 0.000 0.931 239 A N 0.877 123.680 122.820 -0.027 0.000 2.371 239 A HA 0.318 4.638 4.320 -0.001 0.000 0.257 239 A C -0.212 177.227 177.584 -0.242 0.000 1.089 239 A CA -0.079 51.816 52.037 -0.237 0.000 0.794 239 A CB -0.097 18.527 19.000 -0.628 0.000 1.029 239 A HN -0.032 nan 8.150 nan 0.000 0.488 240 D N 1.482 121.634 120.400 -0.414 0.000 2.446 240 D HA 0.329 4.968 4.640 -0.001 0.000 0.251 240 D C -1.327 174.894 176.300 -0.132 0.000 1.137 240 D CA -0.348 53.295 54.000 -0.595 0.000 0.890 240 D CB 0.553 40.818 40.800 -0.892 0.000 1.071 240 D HN 0.382 nan 8.370 nan 0.000 0.528 241 D N 1.605 122.035 120.400 0.051 0.000 2.163 241 D HA 0.071 4.710 4.640 -0.001 0.000 0.248 241 D C 1.058 177.373 176.300 0.026 0.000 1.035 241 D CA -0.423 53.631 54.000 0.090 0.000 0.872 241 D CB 2.226 43.124 40.800 0.162 0.000 1.183 241 D HN 0.218 nan 8.370 nan 0.000 0.445 242 S N 1.833 117.582 115.700 0.083 0.000 2.359 242 S HA -0.238 4.232 4.470 -0.001 0.000 0.224 242 S C 1.922 176.561 174.600 0.065 0.000 1.035 242 S CA 1.394 59.648 58.200 0.090 0.000 1.018 242 S CB -0.357 62.898 63.200 0.090 0.000 0.876 242 S HN 0.608 nan 8.310 nan 0.000 0.448 243 Y N 0.896 121.188 120.300 -0.014 0.000 2.242 243 Y HA 0.082 4.632 4.550 -0.001 0.000 0.291 243 Y C 2.039 177.860 175.900 -0.131 0.000 1.137 243 Y CA 1.039 59.075 58.100 -0.107 0.000 1.181 243 Y CB -0.880 37.495 38.460 -0.141 0.000 0.989 243 Y HN 0.283 nan 8.280 nan 0.000 0.527 244 L N -0.239 120.460 121.223 -0.874 0.000 2.056 244 L HA -0.132 4.207 4.340 -0.001 0.000 0.207 244 L C 2.349 179.039 176.870 -0.300 0.000 1.078 244 L CA 1.696 56.166 54.840 -0.617 0.000 0.749 244 L CB -1.378 40.341 42.059 -0.567 0.000 0.901 244 L HN 0.408 nan 8.230 nan 0.000 0.433 245 Y N 0.651 120.692 120.300 -0.431 0.000 2.181 245 Y HA -0.237 4.313 4.550 -0.001 0.000 0.288 245 Y C 2.230 177.901 175.900 -0.382 0.000 1.146 245 Y CA 1.888 59.610 58.100 -0.630 0.000 1.164 245 Y CB -0.518 37.560 38.460 -0.636 0.000 0.982 245 Y HN 0.345 nan 8.280 nan 0.000 0.515 246 D N -0.249 119.967 120.400 -0.307 0.000 2.149 246 D HA -0.214 4.425 4.640 -0.001 0.000 0.198 246 D C 2.125 178.263 176.300 -0.270 0.000 0.990 246 D CA 1.621 55.439 54.000 -0.304 0.000 0.839 246 D CB -0.393 40.311 40.800 -0.160 0.000 0.948 246 D HN 0.400 nan 8.370 nan 0.000 0.460 247 M N 0.299 119.758 119.600 -0.235 0.000 2.229 247 M HA -0.015 4.465 4.480 -0.001 0.000 0.264 247 M C 1.832 178.054 176.300 -0.130 0.000 1.063 247 M CA 1.015 56.221 55.300 -0.156 0.000 1.114 247 M CB -0.222 32.297 32.600 -0.135 0.000 1.387 247 M HN -0.064 nan 8.290 nan 0.000 0.420 248 I N -0.729 119.719 120.570 -0.202 0.000 2.252 248 I HA -0.291 3.878 4.170 -0.001 0.000 0.245 248 I C 2.133 178.158 176.117 -0.154 0.000 1.102 248 I CA 1.194 62.402 61.300 -0.154 0.000 1.385 248 I CB -0.387 37.494 38.000 -0.199 0.000 1.064 248 I HN 0.261 nan 8.210 nan 0.000 0.414 249 I N 0.189 120.561 120.570 -0.330 0.000 2.286 249 I HA -0.303 3.867 4.170 -0.001 0.000 0.248 249 I C 2.578 178.667 176.117 -0.048 0.000 1.115 249 I CA 1.113 62.268 61.300 -0.241 0.000 1.392 249 I CB -0.237 37.516 38.000 -0.412 0.000 1.065 249 I HN 0.270 nan 8.210 nan 0.000 0.418 250 Q N 0.847 120.602 119.800 -0.076 0.000 2.050 250 Q HA -0.125 4.214 4.340 -0.001 0.000 0.202 250 Q C 2.257 178.270 176.000 0.021 0.000 0.980 250 Q CA 2.210 58.001 55.803 -0.020 0.000 0.840 250 Q CB -0.370 28.355 28.738 -0.022 0.000 0.898 250 Q HN 0.519 nan 8.270 nan 0.000 0.424 251 A N -0.964 121.877 122.820 0.035 0.000 1.898 251 A HA -0.178 4.142 4.320 -0.001 0.000 0.216 251 A C 1.996 179.625 177.584 0.075 0.000 1.181 251 A CA 1.408 53.481 52.037 0.060 0.000 0.620 251 A CB -0.968 18.076 19.000 0.073 0.000 0.819 251 A HN 0.554 nan 8.150 nan 0.000 0.442 252 Y N 1.455 121.736 120.300 -0.031 0.000 2.145 252 Y HA -0.221 4.329 4.550 -0.001 0.000 0.286 252 Y C 2.029 177.917 175.900 -0.021 0.000 1.145 252 Y CA 2.168 60.255 58.100 -0.021 0.000 1.148 252 Y CB -0.278 38.160 38.460 -0.036 0.000 0.981 252 Y HN 0.313 nan 8.280 nan 0.000 0.507 253 N N 0.435 119.143 118.700 0.014 0.000 2.364 253 N HA -0.110 4.630 4.740 -0.001 0.000 0.183 253 N C 1.586 177.035 175.510 -0.102 0.000 1.022 253 N CA 1.143 54.151 53.050 -0.070 0.000 0.883 253 N CB -0.517 37.979 38.487 0.015 0.000 0.965 253 N HN 0.517 nan 8.380 nan 0.000 0.438 254 A N -0.365 122.414 122.820 -0.069 0.000 2.238 254 A HA 0.383 4.703 4.320 -0.001 0.000 0.208 254 A C 1.500 179.038 177.584 -0.078 0.000 1.177 254 A CA 0.832 52.841 52.037 -0.048 0.000 0.804 254 A CB -0.319 18.677 19.000 -0.006 0.000 0.823 254 A HN 0.300 nan 8.150 nan 0.000 0.482 255 G N -1.002 107.705 108.800 -0.156 0.000 2.141 255 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.231 255 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.231 255 G C 0.052 174.885 174.900 -0.112 0.000 0.984 255 G CA 0.134 45.134 45.100 -0.167 0.000 0.660 255 G HN 0.456 nan 8.290 nan 0.000 0.525 256 I N 1.378 121.906 120.570 -0.071 0.000 2.371 256 I HA 0.321 4.491 4.170 -0.001 0.000 0.290 256 I C 0.873 177.006 176.117 0.027 0.000 1.028 256 I CA -0.880 60.416 61.300 -0.008 0.000 1.345 256 I CB 1.520 39.539 38.000 0.032 0.000 1.407 256 I HN -0.130 nan 8.210 nan 0.000 0.501 257 V N 7.912 127.846 119.914 0.033 0.000 2.508 257 V HA 0.213 4.333 4.120 -0.001 0.000 0.281 257 V C 0.334 176.486 176.094 0.097 0.000 1.041 257 V CA -0.059 62.284 62.300 0.071 0.000 1.016 257 V CB 0.699 32.547 31.823 0.041 0.000 0.984 257 V HN 0.436 nan 8.190 nan 0.000 0.478 258 I N 5.531 126.185 120.570 0.140 0.000 2.377 258 I HA 0.568 4.738 4.170 -0.001 0.000 0.293 258 I C -0.549 175.648 176.117 0.134 0.000 0.987 258 I CA -0.669 60.711 61.300 0.134 0.000 1.185 258 I CB 1.794 39.886 38.000 0.153 0.000 1.341 258 I HN 0.261 nan 8.210 nan 0.000 0.455 259 V N 4.696 124.680 119.914 0.117 0.000 2.638 259 V HA 0.870 4.989 4.120 -0.001 0.000 0.306 259 V C -0.189 175.971 176.094 0.111 0.000 1.052 259 V CA -0.491 61.880 62.300 0.118 0.000 0.885 259 V CB 1.623 33.509 31.823 0.105 0.000 0.999 259 V HN 0.893 nan 8.190 nan 0.000 0.424 260 A N 2.940 125.827 122.820 0.112 0.000 2.539 260 A HA 0.972 5.292 4.320 -0.001 0.000 0.296 260 A C -0.194 177.446 177.584 0.093 0.000 1.073 260 A CA -0.275 51.820 52.037 0.097 0.000 0.700 260 A CB 1.697 20.749 19.000 0.086 0.000 1.296 260 A HN 1.572 nan 8.150 nan 0.000 0.405 261 A N 0.511 123.385 122.820 0.090 0.000 2.425 261 A HA 0.496 4.815 4.320 -0.001 0.000 0.249 261 A C 1.366 178.991 177.584 0.068 0.000 1.084 261 A CA 0.543 52.636 52.037 0.093 0.000 0.781 261 A CB 0.304 19.367 19.000 0.105 0.000 1.019 261 A HN 1.575 nan 8.150 nan 0.000 0.490 262 S N 1.185 116.928 115.700 0.073 0.000 2.383 262 S HA 0.326 4.795 4.470 -0.001 0.000 0.227 262 S C 0.963 175.583 174.600 0.032 0.000 1.026 262 S CA 1.664 59.889 58.200 0.042 0.000 0.981 262 S CB -0.508 62.721 63.200 0.048 0.000 0.818 262 S HN 2.527 nan 8.310 nan 0.000 0.472 263 G N 0.476 109.318 108.800 0.071 0.000 2.525 263 G HA2 -0.055 3.904 3.960 -0.001 0.000 0.685 263 G HA3 -0.055 3.904 3.960 -0.001 0.000 0.685 263 G C -0.919 174.057 174.900 0.126 0.000 1.285 263 G CA -0.457 44.683 45.100 0.068 0.000 0.849 263 G HN 0.244 nan 8.290 nan 0.000 0.653 264 N N 0.085 118.850 118.700 0.109 0.000 2.389 264 N HA 0.269 5.008 4.740 -0.001 0.000 0.260 264 N C 0.654 176.243 175.510 0.130 0.000 1.191 264 N CA 0.020 53.173 53.050 0.172 0.000 0.885 264 N CB 1.212 39.663 38.487 -0.061 0.000 1.162 264 N HN 0.595 nan 8.380 nan 0.000 0.512 265 E N -0.496 119.761 120.200 0.096 0.000 2.498 265 E HA 0.247 4.596 4.350 -0.001 0.000 0.203 265 E C 1.173 177.808 176.600 0.058 0.000 1.013 265 E CA -0.045 56.392 56.400 0.062 0.000 0.927 265 E CB 0.200 29.918 29.700 0.031 0.000 1.012 265 E HN 0.277 nan 8.360 nan 0.000 0.482 266 G N 0.838 109.679 108.800 0.069 0.000 2.179 266 G HA2 -0.318 3.642 3.960 -0.001 0.000 0.257 266 G HA3 -0.318 3.642 3.960 -0.001 0.000 0.257 266 G C 0.571 175.469 174.900 -0.003 0.000 1.010 266 G CA 0.195 45.308 45.100 0.022 0.000 0.736 266 G HN 0.552 nan 8.290 nan 0.000 0.513 267 A N 0.019 122.839 122.820 0.001 0.000 2.429 267 A HA 0.643 4.963 4.320 -0.001 0.000 0.242 267 A C -0.020 177.549 177.584 -0.025 0.000 1.088 267 A CA -0.010 52.019 52.037 -0.012 0.000 0.784 267 A CB 0.423 19.415 19.000 -0.012 0.000 1.038 267 A HN 0.132 nan 8.150 nan 0.000 0.501 268 P HA -0.024 nan 4.420 nan 0.000 0.218 268 P C 0.345 177.626 177.300 -0.030 0.000 1.149 268 P CA 1.687 64.770 63.100 -0.027 0.000 0.817 268 P CB 0.096 31.783 31.700 -0.022 0.000 0.785 269 S N -3.849 111.825 115.700 -0.045 0.000 2.661 269 S HA 0.680 5.149 4.470 -0.001 0.000 0.285 269 S C -3.091 171.453 174.600 -0.094 0.000 1.138 269 S CA -2.104 56.057 58.200 -0.065 0.000 0.855 269 S CB 1.305 64.450 63.200 -0.091 0.000 1.136 269 S HN -0.283 nan 8.310 nan 0.000 0.484 270 P HA 0.348 nan 4.420 nan 0.000 0.272 270 P C -0.388 176.757 177.300 -0.258 0.000 1.230 270 P CA -0.182 62.827 63.100 -0.151 0.000 0.788 270 P CB 0.450 32.062 31.700 -0.147 0.000 0.949 271 S N 0.131 115.714 115.700 -0.195 0.000 2.686 271 S HA 0.366 4.836 4.470 -0.001 0.000 0.270 271 S C -0.400 173.982 174.600 -0.363 0.000 1.194 271 S CA -0.140 57.941 58.200 -0.198 0.000 0.990 271 S CB -0.006 63.174 63.200 -0.033 0.000 1.029 271 S HN 0.257 nan 8.310 nan 0.000 0.560 272 Y N 1.685 121.915 120.300 -0.118 0.000 2.352 272 Y HA 0.322 4.872 4.550 -0.001 0.000 0.326 272 Y C -1.278 174.555 175.900 -0.112 0.000 1.166 272 Y CA -1.904 56.066 58.100 -0.215 0.000 1.182 272 Y CB 0.676 38.970 38.460 -0.277 0.000 1.216 272 Y HN 0.450 nan 8.280 nan 0.000 0.474 273 P HA -0.009 nan 4.420 nan 0.000 0.245 273 P C 0.721 178.043 177.300 0.037 0.000 1.212 273 P CA 0.921 64.101 63.100 0.133 0.000 0.774 273 P CB 0.111 31.976 31.700 0.275 0.000 0.999 274 A N 1.450 124.238 122.820 -0.053 0.000 1.948 274 A HA -0.124 4.196 4.320 -0.001 0.000 0.220 274 A C 2.425 179.920 177.584 -0.150 0.000 1.177 274 A CA 2.008 54.016 52.037 -0.048 0.000 0.636 274 A CB -1.449 17.525 19.000 -0.044 0.000 0.815 274 A HN 0.268 nan 8.150 nan 0.000 0.449 275 A N -1.604 120.949 122.820 -0.445 0.000 2.070 275 A HA 0.095 4.415 4.320 -0.001 0.000 0.220 275 A C 0.688 178.067 177.584 -0.343 0.000 1.159 275 A CA 0.429 52.108 52.037 -0.597 0.000 0.656 275 A CB -0.551 17.644 19.000 -1.342 0.000 0.800 275 A HN 0.461 nan 8.150 nan 0.000 0.453 276 Y N 0.283 120.550 120.300 -0.055 0.000 2.511 276 Y HA 0.154 4.703 4.550 -0.001 0.000 0.332 276 Y C -0.894 175.011 175.900 0.008 0.000 1.177 276 Y CA -1.639 56.481 58.100 0.034 0.000 1.422 276 Y CB 0.115 38.684 38.460 0.183 0.000 1.271 276 Y HN 0.162 nan 8.280 nan 0.000 0.550 277 P HA -0.185 nan 4.420 nan 0.000 0.219 277 P C 0.410 177.746 177.300 0.060 0.000 1.146 277 P CA 1.633 64.774 63.100 0.068 0.000 0.808 277 P CB 0.415 32.133 31.700 0.031 0.000 0.779 278 E N -0.260 119.947 120.200 0.011 0.000 2.427 278 E HA 0.053 4.402 4.350 -0.001 0.000 0.196 278 E C 0.775 177.420 176.600 0.075 0.000 1.028 278 E CA 0.235 56.530 56.400 -0.175 0.000 0.864 278 E CB -0.338 29.078 29.700 -0.472 0.000 0.813 278 E HN 0.183 nan 8.360 nan 0.000 0.514 279 V N 2.168 122.177 119.914 0.159 0.000 2.532 279 V HA 0.275 4.394 4.120 -0.001 0.000 0.295 279 V C 0.388 176.596 176.094 0.189 0.000 1.041 279 V CA -0.754 61.656 62.300 0.184 0.000 0.926 279 V CB 1.830 33.778 31.823 0.208 0.000 0.992 279 V HN 0.026 nan 8.190 nan 0.000 0.457 280 I N 3.801 124.486 120.570 0.192 0.000 2.322 280 I HA 0.414 4.584 4.170 -0.001 0.000 0.292 280 I C 0.767 176.997 176.117 0.188 0.000 1.060 280 I CA -0.034 61.399 61.300 0.222 0.000 1.309 280 I CB 1.050 39.176 38.000 0.211 0.000 1.415 280 I HN 0.713 nan 8.210 nan 0.000 0.492 281 A N 7.209 130.148 122.820 0.198 0.000 2.362 281 A HA 0.532 4.851 4.320 -0.001 0.000 0.276 281 A C -0.213 177.472 177.584 0.168 0.000 1.153 281 A CA -0.295 51.828 52.037 0.144 0.000 0.813 281 A CB 0.330 19.395 19.000 0.108 0.000 1.081 281 A HN 0.503 nan 8.150 nan 0.000 0.507 282 V N 3.300 123.293 119.914 0.132 0.000 2.384 282 V HA 0.600 4.719 4.120 -0.001 0.000 0.287 282 V C 0.986 177.142 176.094 0.103 0.000 1.020 282 V CA -0.082 62.297 62.300 0.131 0.000 0.850 282 V CB 1.302 33.204 31.823 0.131 0.000 0.987 282 V HN 1.101 nan 8.190 nan 0.000 0.436 283 G N 2.975 111.825 108.800 0.083 0.000 2.502 283 G HA2 0.705 4.664 3.960 -0.001 0.000 0.305 283 G HA3 0.705 4.664 3.960 -0.001 0.000 0.305 283 G C -0.499 174.421 174.900 0.034 0.000 1.190 283 G CA -0.240 44.880 45.100 0.032 0.000 0.933 283 G HN 1.081 nan 8.290 nan 0.000 0.503 284 A N -0.011 122.799 122.820 -0.015 0.000 2.342 284 A HA 0.741 5.060 4.320 -0.001 0.000 0.323 284 A C -0.065 177.476 177.584 -0.071 0.000 1.125 284 A CA -0.706 51.332 52.037 0.001 0.000 0.785 284 A CB 0.786 19.850 19.000 0.106 0.000 1.221 284 A HN 1.119 nan 8.150 nan 0.000 0.463 285 I N -0.732 119.860 120.570 0.036 0.000 2.982 285 I HA 0.844 5.014 4.170 -0.001 0.000 0.312 285 I C -0.561 175.667 176.117 0.186 0.000 1.041 285 I CA -1.037 60.311 61.300 0.080 0.000 1.053 285 I CB 2.021 40.135 38.000 0.190 0.000 1.248 285 I HN 0.622 nan 8.210 nan 0.000 0.471 286 D N 0.534 121.026 120.400 0.155 0.000 2.592 286 D HA 0.238 4.878 4.640 -0.001 0.000 0.259 286 D C 0.820 177.090 176.300 -0.050 0.000 1.144 286 D CA -0.340 53.746 54.000 0.144 0.000 1.080 286 D CB 0.879 41.692 40.800 0.020 0.000 1.225 286 D HN 0.624 nan 8.370 nan 0.000 0.619 287 S N -1.242 114.121 115.700 -0.561 0.000 2.547 287 S HA -0.108 4.362 4.470 -0.001 0.000 0.235 287 S C 0.567 174.929 174.600 -0.397 0.000 0.980 287 S CA 0.266 57.855 58.200 -1.018 0.000 0.941 287 S CB -0.626 61.847 63.200 -1.211 0.000 0.763 287 S HN 0.467 nan 8.310 nan 0.000 0.532 288 N N 1.074 119.657 118.700 -0.195 0.000 2.238 288 N HA 0.131 4.870 4.740 -0.001 0.000 0.222 288 N C -0.732 174.765 175.510 -0.022 0.000 1.133 288 N CA 0.272 53.264 53.050 -0.097 0.000 0.854 288 N CB 0.405 38.846 38.487 -0.075 0.000 1.041 288 N HN 0.172 nan 8.380 nan 0.000 0.510 289 D N 0.302 120.716 120.400 0.024 0.000 3.076 289 D HA -0.162 4.478 4.640 -0.001 0.000 0.218 289 D C -0.596 175.821 176.300 0.195 0.000 1.156 289 D CA 0.910 54.968 54.000 0.096 0.000 0.921 289 D CB -1.758 39.056 40.800 0.024 0.000 1.113 289 D HN 0.446 nan 8.370 nan 0.000 0.418 290 N N -0.164 118.610 118.700 0.124 0.000 2.487 290 N HA 0.485 5.225 4.740 -0.001 0.000 0.292 290 N C -0.028 175.477 175.510 -0.010 0.000 1.108 290 N CA -0.780 52.328 53.050 0.096 0.000 0.956 290 N CB 1.291 39.780 38.487 0.003 0.000 1.176 290 N HN 0.049 nan 8.380 nan 0.000 0.484 291 I N 2.013 122.439 120.570 -0.240 0.000 2.529 291 I HA 0.200 4.370 4.170 -0.001 0.000 0.284 291 I C 0.048 175.963 176.117 -0.337 0.000 1.082 291 I CA -0.077 60.979 61.300 -0.406 0.000 1.406 291 I CB 0.377 37.947 38.000 -0.716 0.000 1.405 291 I HN 0.599 nan 8.210 nan 0.000 0.548 292 A N 5.023 127.588 122.820 -0.426 0.000 2.477 292 A HA 0.280 4.599 4.320 -0.001 0.000 0.246 292 A C 1.287 178.500 177.584 -0.618 0.000 1.078 292 A CA 0.429 52.077 52.037 -0.647 0.000 0.770 292 A CB -0.089 18.096 19.000 -1.360 0.000 1.011 292 A HN 0.970 nan 8.150 nan 0.000 0.494 293 S N 1.904 117.364 115.700 -0.400 0.000 2.419 293 S HA -0.193 4.277 4.470 -0.001 0.000 0.233 293 S C 1.341 175.844 174.600 -0.160 0.000 1.016 293 S CA 1.667 59.735 58.200 -0.220 0.000 0.974 293 S CB -0.744 62.403 63.200 -0.088 0.000 0.786 293 S HN 1.143 nan 8.310 nan 0.000 0.492 294 F N 2.101 122.032 119.950 -0.032 0.000 2.558 294 F HA 0.406 4.933 4.527 -0.001 0.000 0.298 294 F C 1.043 176.825 175.800 -0.030 0.000 1.119 294 F CA -0.323 57.661 58.000 -0.025 0.000 1.451 294 F CB -1.157 37.835 39.000 -0.014 0.000 1.091 294 F HN 0.118 nan 8.300 nan 0.000 0.563 295 S N 1.891 117.414 115.700 -0.295 0.000 2.509 295 S HA 0.035 4.505 4.470 -0.001 0.000 0.287 295 S C 0.106 174.676 174.600 -0.049 0.000 1.248 295 S CA -0.426 57.711 58.200 -0.105 0.000 1.089 295 S CB -0.965 62.056 63.200 -0.298 0.000 0.900 295 S HN 0.503 nan 8.310 nan 0.000 0.496 296 N N 3.561 122.275 118.700 0.024 0.000 2.412 296 N HA 0.036 4.775 4.740 -0.001 0.000 0.254 296 N C 0.198 175.682 175.510 -0.043 0.000 1.232 296 N CA -0.304 52.742 53.050 -0.007 0.000 0.880 296 N CB 0.391 38.880 38.487 0.002 0.000 1.076 296 N HN 0.454 nan 8.380 nan 0.000 0.458 297 R N 1.349 121.815 120.500 -0.056 0.000 2.726 297 R HA 0.045 4.384 4.340 -0.001 0.000 0.272 297 R C 0.107 176.393 176.300 -0.023 0.000 1.097 297 R CA 0.127 56.185 56.100 -0.070 0.000 1.198 297 R CB 0.115 30.371 30.300 -0.073 0.000 1.114 297 R HN 0.585 nan 8.270 nan 0.000 0.550 298 Q N -1.390 118.403 119.800 -0.011 0.000 2.470 298 Q HA -0.160 4.179 4.340 -0.001 0.000 0.294 298 Q C -2.150 174.002 176.000 0.254 0.000 1.356 298 Q CA 0.298 56.211 55.803 0.184 0.000 0.805 298 Q CB -1.499 27.366 28.738 0.212 0.000 1.157 298 Q HN 0.472 nan 8.270 nan 0.000 0.431 299 P HA 0.059 nan 4.420 nan 0.000 0.281 299 P C 0.239 177.840 177.300 0.502 0.000 1.281 299 P CA -0.201 63.036 63.100 0.230 0.000 0.811 299 P CB 0.928 32.695 31.700 0.111 0.000 1.154 300 E N -0.542 119.968 120.200 0.518 0.000 2.086 300 E HA 0.025 4.375 4.350 -0.001 0.000 0.190 300 E C 0.514 177.437 176.600 0.539 0.000 0.975 300 E CA 0.763 57.600 56.400 0.728 0.000 0.813 300 E CB 0.268 30.340 29.700 0.619 0.000 0.768 300 E HN 0.346 nan 8.360 nan 0.000 0.457 301 V N -2.139 117.990 119.914 0.359 0.000 3.181 301 V HA 0.651 4.771 4.120 -0.001 0.000 0.307 301 V C -0.766 175.436 176.094 0.180 0.000 1.310 301 V CA -0.567 61.898 62.300 0.274 0.000 1.067 301 V CB 1.678 33.662 31.823 0.269 0.000 1.081 301 V HN 0.130 nan 8.190 nan 0.000 0.453 302 S N -0.415 115.377 115.700 0.152 0.000 2.595 302 S HA 1.040 5.509 4.470 -0.001 0.000 0.281 302 S C -0.430 174.224 174.600 0.091 0.000 1.117 302 S CA -0.219 58.050 58.200 0.116 0.000 0.873 302 S CB 1.710 64.990 63.200 0.133 0.000 1.108 302 S HN 2.556 nan 8.310 nan 0.000 0.477 303 A N 0.450 123.299 122.820 0.049 0.000 2.599 303 A HA 0.876 5.195 4.320 -0.001 0.000 0.290 303 A C -3.407 174.094 177.584 -0.138 0.000 1.101 303 A CA -1.721 50.287 52.037 -0.048 0.000 0.674 303 A CB 0.362 19.347 19.000 -0.024 0.000 1.277 303 A HN 0.560 nan 8.150 nan 0.000 0.419 304 P HA 0.217 nan 4.420 nan 0.000 0.260 304 P C 0.672 177.832 177.300 -0.234 0.000 1.185 304 P CA 1.262 64.078 63.100 -0.473 0.000 0.763 304 P CB 0.542 31.494 31.700 -1.247 0.000 0.776 305 G N 2.138 110.979 108.800 0.069 0.000 4.008 305 G HA2 0.261 4.220 3.960 -0.001 0.000 0.278 305 G HA3 0.261 4.220 3.960 -0.001 0.000 0.278 305 G C -0.565 174.508 174.900 0.288 0.000 1.021 305 G CA 0.052 45.258 45.100 0.177 0.000 0.833 305 G HN 0.388 nan 8.290 nan 0.000 0.454 306 V N 1.446 121.572 119.914 0.353 0.000 2.444 306 V HA 0.382 4.501 4.120 -0.001 0.000 0.294 306 V C -0.742 175.581 176.094 0.382 0.000 1.022 306 V CA -0.847 61.661 62.300 0.346 0.000 0.850 306 V CB 1.478 33.485 31.823 0.307 0.000 0.992 306 V HN 0.306 nan 8.190 nan 0.000 0.426 307 D N 3.408 123.919 120.400 0.184 0.000 2.828 307 D HA -0.141 4.498 4.640 -0.001 0.000 0.241 307 D C -0.432 176.052 176.300 0.307 0.000 1.142 307 D CA 0.680 54.759 54.000 0.132 0.000 0.755 307 D CB -0.530 40.394 40.800 0.207 0.000 1.014 307 D HN 0.246 nan 8.370 nan 0.000 0.420 308 I N 1.049 121.723 120.570 0.173 0.000 2.312 308 I HA 0.272 4.441 4.170 -0.001 0.000 0.290 308 I C 0.719 176.971 176.117 0.225 0.000 1.008 308 I CA -0.921 60.484 61.300 0.176 0.000 1.226 308 I CB 1.062 39.170 38.000 0.179 0.000 1.371 308 I HN 0.085 nan 8.210 nan 0.000 0.468 309 L N 6.442 127.767 121.223 0.169 0.000 2.305 309 L HA 0.560 4.900 4.340 -0.001 0.000 0.281 309 L C 0.206 177.067 176.870 -0.015 0.000 1.085 309 L CA 0.992 55.921 54.840 0.149 0.000 0.813 309 L CB 1.148 43.295 42.059 0.147 0.000 1.157 309 L HN 0.755 nan 8.230 nan 0.000 0.436 310 S N 1.452 117.065 115.700 -0.146 0.000 2.757 310 S HA 0.610 5.079 4.470 -0.001 0.000 0.285 310 S C -0.823 173.727 174.600 -0.084 0.000 1.196 310 S CA -0.073 57.910 58.200 -0.362 0.000 0.856 310 S CB 0.825 63.389 63.200 -1.059 0.000 1.212 310 S HN 0.902 nan 8.310 nan 0.000 0.516 311 T N 0.545 115.021 114.554 -0.130 0.000 2.900 311 T HA 0.542 4.892 4.350 -0.001 0.000 0.307 311 T C -0.958 173.754 174.700 0.020 0.000 1.065 311 T CA 0.110 62.102 62.100 -0.181 0.000 1.105 311 T CB 0.413 68.932 68.868 -0.582 0.000 0.979 311 T HN 0.501 nan 8.240 nan 0.000 0.544 312 Y N 1.250 121.473 120.300 -0.130 0.000 2.562 312 Y HA 0.464 5.014 4.550 -0.001 0.000 0.345 312 Y C -2.655 173.254 175.900 0.014 0.000 1.045 312 Y CA -2.534 55.562 58.100 -0.007 0.000 1.028 312 Y CB 2.127 40.614 38.460 0.045 0.000 1.297 312 Y HN 0.515 nan 8.280 nan 0.000 0.463 313 P HA 0.020 nan 4.420 nan 0.000 0.266 313 P C -0.945 176.310 177.300 -0.076 0.000 1.186 313 P CA 1.241 64.254 63.100 -0.144 0.000 0.767 313 P CB 0.316 31.864 31.700 -0.252 0.000 0.820 314 D N 1.059 121.387 120.400 -0.120 0.000 2.760 314 D HA -0.126 4.513 4.640 -0.001 0.000 0.244 314 D C -0.620 175.549 176.300 -0.219 0.000 1.096 314 D CA 0.817 54.735 54.000 -0.136 0.000 0.716 314 D CB -1.979 38.778 40.800 -0.071 0.000 1.075 314 D HN 0.541 nan 8.370 nan 0.000 0.434 315 D N -1.288 118.850 120.400 -0.436 0.000 2.706 315 D HA -0.218 4.421 4.640 -0.001 0.000 0.230 315 D C 0.288 176.227 176.300 -0.602 0.000 1.184 315 D CA 1.657 55.117 54.000 -0.901 0.000 0.628 315 D CB -1.054 39.432 40.800 -0.523 0.000 1.019 315 D HN 0.427 nan 8.370 nan 0.000 0.415 316 S N -1.373 114.088 115.700 -0.398 0.000 2.837 316 S HA 0.813 5.283 4.470 -0.001 0.000 0.314 316 S C -1.245 173.025 174.600 -0.550 0.000 1.098 316 S CA -0.633 57.407 58.200 -0.266 0.000 0.903 316 S CB 1.358 64.572 63.200 0.023 0.000 1.310 316 S HN 0.134 nan 8.310 nan 0.000 0.581 317 Y N -0.052 120.377 120.300 0.216 0.000 2.571 317 Y HA 0.721 5.271 4.550 -0.001 0.000 0.341 317 Y C -0.457 175.482 175.900 0.066 0.000 1.076 317 Y CA -0.741 57.457 58.100 0.163 0.000 1.029 317 Y CB 1.928 40.455 38.460 0.111 0.000 1.308 317 Y HN 0.685 nan 8.280 nan 0.000 0.461 318 E N -0.222 120.064 120.200 0.143 0.000 2.412 318 E HA 0.566 4.915 4.350 -0.001 0.000 0.279 318 E C -1.675 174.965 176.600 0.067 0.000 0.984 318 E CA -0.746 55.608 56.400 -0.076 0.000 0.788 318 E CB 2.013 31.256 29.700 -0.761 0.000 1.277 318 E HN 0.514 nan 8.360 nan 0.000 0.455 319 T N 2.867 117.385 114.554 -0.059 0.000 2.749 319 T HA 0.603 4.952 4.350 -0.001 0.000 0.287 319 T C -0.332 174.162 174.700 -0.344 0.000 0.970 319 T CA -0.519 61.504 62.100 -0.128 0.000 0.980 319 T CB 0.079 68.745 68.868 -0.336 0.000 0.924 319 T HN 0.247 nan 8.240 nan 0.000 0.456 320 L N 3.230 124.266 121.223 -0.311 0.000 2.256 320 L HA 0.782 5.121 4.340 -0.001 0.000 0.261 320 L C -0.214 176.504 176.870 -0.253 0.000 1.022 320 L CA -1.411 53.187 54.840 -0.404 0.000 0.828 320 L CB 1.868 43.551 42.059 -0.627 0.000 1.374 320 L HN 0.599 nan 8.230 nan 0.000 0.436 321 M N -0.129 119.338 119.600 -0.221 0.000 2.484 321 M HA 0.917 5.396 4.480 -0.001 0.000 0.289 321 M C -0.555 175.635 176.300 -0.184 0.000 1.206 321 M CA -0.487 54.740 55.300 -0.123 0.000 0.892 321 M CB 2.677 35.203 32.600 -0.123 0.000 1.712 321 M HN 0.637 nan 8.290 nan 0.000 0.462 322 G N 0.605 109.352 108.800 -0.088 0.000 2.347 322 G HA2 0.139 4.098 3.960 -0.001 0.000 0.321 322 G HA3 0.139 4.098 3.960 -0.001 0.000 0.321 322 G C -0.067 174.943 174.900 0.183 0.000 1.412 322 G CA -0.153 44.852 45.100 -0.157 0.000 0.990 322 G HN 1.097 nan 8.290 nan 0.000 0.637 323 T N -1.582 113.115 114.554 0.239 0.000 3.072 323 T HA 0.278 4.628 4.350 -0.001 0.000 0.266 323 T C 2.426 177.218 174.700 0.154 0.000 1.127 323 T CA 1.888 64.126 62.100 0.229 0.000 1.107 323 T CB 0.011 69.002 68.868 0.205 0.000 0.910 323 T HN 1.783 nan 8.240 nan 0.000 0.513 324 A N 1.219 124.116 122.820 0.128 0.000 2.015 324 A HA 0.152 4.471 4.320 -0.001 0.000 0.219 324 A C 2.149 179.774 177.584 0.068 0.000 1.163 324 A CA 1.220 53.333 52.037 0.127 0.000 0.646 324 A CB -0.617 18.523 19.000 0.235 0.000 0.806 324 A HN 0.445 nan 8.150 nan 0.000 0.448 325 M N -0.788 118.857 119.600 0.076 0.000 2.388 325 M HA 0.204 4.683 4.480 -0.001 0.000 0.265 325 M C 2.246 178.682 176.300 0.228 0.000 1.088 325 M CA 1.124 56.491 55.300 0.112 0.000 1.134 325 M CB -0.512 32.151 32.600 0.104 0.000 1.384 325 M HN 0.391 nan 8.290 nan 0.000 0.447 326 A N -0.787 122.152 122.820 0.199 0.000 1.930 326 A HA -0.080 4.239 4.320 -0.001 0.000 0.215 326 A C 2.200 179.912 177.584 0.213 0.000 1.176 326 A CA 1.894 54.054 52.037 0.205 0.000 0.632 326 A CB -1.144 17.927 19.000 0.118 0.000 0.819 326 A HN 0.427 nan 8.150 nan 0.000 0.445 327 T N 1.341 115.989 114.554 0.156 0.000 2.597 327 T HA -0.144 4.206 4.350 -0.001 0.000 0.267 327 T C -0.128 174.637 174.700 0.108 0.000 1.053 327 T CA 2.004 64.180 62.100 0.127 0.000 1.165 327 T CB -1.431 67.504 68.868 0.111 0.000 0.863 327 T HN 0.516 nan 8.240 nan 0.000 0.427 328 P HA -0.141 nan 4.420 nan 0.000 0.218 328 P C 0.859 178.143 177.300 -0.028 0.000 1.148 328 P CA 1.561 64.659 63.100 -0.004 0.000 0.822 328 P CB -0.198 31.462 31.700 -0.067 0.000 0.784 329 H N -0.293 118.783 119.070 0.009 0.000 2.319 329 H HA -0.093 4.463 4.556 -0.001 0.000 0.299 329 H C 2.108 177.449 175.328 0.021 0.000 1.092 329 H CA 1.685 57.733 56.048 -0.000 0.000 1.302 329 H CB -0.963 28.784 29.762 -0.026 0.000 1.373 329 H HN -0.117 nan 8.280 nan 0.000 0.497 330 V N -0.172 119.842 119.914 0.167 0.000 2.343 330 V HA -0.250 3.869 4.120 -0.001 0.000 0.247 330 V C 2.259 178.403 176.094 0.082 0.000 1.051 330 V CA 2.038 64.408 62.300 0.116 0.000 1.036 330 V CB -0.495 31.400 31.823 0.120 0.000 0.654 330 V HN 0.415 nan 8.190 nan 0.000 0.451 331 S N 0.711 116.454 115.700 0.071 0.000 2.382 331 S HA -0.123 4.346 4.470 -0.001 0.000 0.228 331 S C 2.047 176.668 174.600 0.036 0.000 1.027 331 S CA 1.322 59.553 58.200 0.051 0.000 0.991 331 S CB -0.617 62.610 63.200 0.045 0.000 0.823 331 S HN 0.699 nan 8.310 nan 0.000 0.469 332 G N 1.019 109.839 108.800 0.033 0.000 2.422 332 G HA2 -0.096 3.864 3.960 -0.001 0.000 0.218 332 G HA3 -0.096 3.864 3.960 -0.001 0.000 0.218 332 G C 1.387 176.320 174.900 0.056 0.000 1.140 332 G CA 0.668 45.788 45.100 0.033 0.000 0.775 332 G HN 0.427 nan 8.290 nan 0.000 0.545 333 V N 1.183 121.133 119.914 0.061 0.000 2.358 333 V HA -0.167 3.953 4.120 -0.001 0.000 0.246 333 V C 3.166 179.285 176.094 0.042 0.000 1.047 333 V CA 1.725 64.059 62.300 0.057 0.000 1.035 333 V CB -0.159 31.697 31.823 0.054 0.000 0.658 333 V HN 0.394 nan 8.190 nan 0.000 0.452 334 V N -0.628 119.307 119.914 0.034 0.000 2.515 334 V HA -0.117 4.002 4.120 -0.001 0.000 0.250 334 V C 2.471 178.580 176.094 0.024 0.000 1.058 334 V CA 1.843 64.155 62.300 0.020 0.000 1.064 334 V CB -1.317 30.517 31.823 0.017 0.000 0.675 334 V HN 0.368 nan 8.190 nan 0.000 0.461 335 A N 0.774 123.611 122.820 0.028 0.000 1.902 335 A HA -0.044 4.275 4.320 -0.001 0.000 0.217 335 A C 2.264 179.874 177.584 0.043 0.000 1.181 335 A CA 2.196 54.246 52.037 0.022 0.000 0.623 335 A CB -0.658 18.350 19.000 0.013 0.000 0.818 335 A HN 0.594 nan 8.150 nan 0.000 0.443 336 L N -0.727 120.533 121.223 0.062 0.000 2.056 336 L HA -0.154 4.186 4.340 -0.001 0.000 0.207 336 L C 2.506 179.428 176.870 0.085 0.000 1.078 336 L CA 1.140 56.031 54.840 0.084 0.000 0.749 336 L CB -0.525 41.593 42.059 0.099 0.000 0.901 336 L HN 0.379 nan 8.230 nan 0.000 0.433 337 I N -0.590 120.021 120.570 0.069 0.000 2.099 337 I HA -0.312 3.857 4.170 -0.001 0.000 0.239 337 I C 2.740 178.927 176.117 0.117 0.000 1.066 337 I CA 1.275 62.621 61.300 0.076 0.000 1.324 337 I CB -0.382 37.632 38.000 0.023 0.000 1.037 337 I HN 0.353 nan 8.210 nan 0.000 0.401 338 Q N 0.512 120.362 119.800 0.084 0.000 2.170 338 Q HA -0.152 4.187 4.340 -0.001 0.000 0.203 338 Q C 2.378 178.487 176.000 0.181 0.000 0.976 338 Q CA 1.737 57.612 55.803 0.119 0.000 0.858 338 Q CB -0.424 28.346 28.738 0.053 0.000 0.907 338 Q HN 0.600 nan 8.270 nan 0.000 0.433 339 A N 1.087 123.982 122.820 0.125 0.000 1.873 339 A HA -0.004 4.315 4.320 -0.001 0.000 0.215 339 A C 2.351 180.032 177.584 0.162 0.000 1.186 339 A CA 1.706 53.815 52.037 0.121 0.000 0.616 339 A CB -0.643 18.399 19.000 0.071 0.000 0.823 339 A HN 0.351 nan 8.150 nan 0.000 0.442 340 A N -1.719 121.191 122.820 0.149 0.000 1.902 340 A HA -0.101 4.218 4.320 -0.001 0.000 0.217 340 A C 2.151 179.825 177.584 0.149 0.000 1.181 340 A CA 1.637 53.749 52.037 0.124 0.000 0.623 340 A CB -0.809 18.259 19.000 0.112 0.000 0.818 340 A HN 0.637 nan 8.150 nan 0.000 0.443 341 Y N -1.633 118.734 120.300 0.111 0.000 2.181 341 Y HA -0.241 4.309 4.550 -0.000 0.000 0.288 341 Y C 2.253 178.261 175.900 0.179 0.000 1.146 341 Y CA 2.132 60.337 58.100 0.175 0.000 1.164 341 Y CB -0.464 38.108 38.460 0.186 0.000 0.982 341 Y HN 0.447 nan 8.280 nan 0.000 0.515 342 Y N 0.687 121.106 120.300 0.199 0.000 2.314 342 Y HA -0.221 4.329 4.550 0.000 0.000 0.293 342 Y C 2.643 178.543 175.900 0.000 0.000 1.129 342 Y CA 1.916 60.079 58.100 0.105 0.000 1.201 342 Y CB -0.441 38.079 38.460 0.101 0.000 0.999 342 Y HN 0.299 nan 8.280 nan 0.000 0.541 343 Q N 0.328 120.212 119.800 0.141 0.000 2.119 343 Q HA -0.218 4.122 4.340 -0.001 0.000 0.201 343 Q C 2.237 178.146 176.000 -0.152 0.000 0.972 343 Q CA 1.829 57.651 55.803 0.031 0.000 0.847 343 Q CB -0.097 28.666 28.738 0.041 0.000 0.903 343 Q HN 0.453 nan 8.270 nan 0.000 0.433 344 K N -0.985 119.245 120.400 -0.284 0.000 2.029 344 K HA -0.024 4.295 4.320 -0.001 0.000 0.205 344 K C -0.260 175.929 176.600 -0.685 0.000 1.042 344 K CA 0.541 56.493 56.287 -0.559 0.000 0.949 344 K CB 0.151 32.146 32.500 -0.842 0.000 0.740 344 K HN 0.103 nan 8.250 nan 0.000 0.442 345 Y N -0.772 119.298 120.300 -0.384 0.000 2.387 345 Y HA 0.328 4.876 4.550 -0.002 0.000 0.330 345 Y C 1.123 176.743 175.900 -0.467 0.000 1.133 345 Y CA -0.906 56.956 58.100 -0.398 0.000 1.152 345 Y CB 1.572 39.720 38.460 -0.520 0.000 1.215 345 Y HN 0.116 nan 8.280 nan 0.000 0.466 346 G N 1.882 110.509 108.800 -0.288 0.000 3.262 346 G HA2 0.078 4.037 3.960 -0.001 0.000 0.222 346 G HA3 0.078 4.037 3.960 -0.001 0.000 0.222 346 G C 0.202 174.745 174.900 -0.595 0.000 1.269 346 G CA -0.001 44.747 45.100 -0.587 0.000 1.032 346 G HN 0.436 nan 8.290 nan 0.000 0.502 347 K N -0.383 119.845 120.400 -0.286 0.000 2.367 347 K HA 0.572 4.891 4.320 -0.001 0.000 0.272 347 K C -0.792 176.081 176.600 0.455 0.000 1.046 347 K CA -1.030 55.347 56.287 0.150 0.000 0.895 347 K CB 0.932 33.517 32.500 0.142 0.000 1.512 347 K HN 0.172 nan 8.250 nan 0.000 0.433 348 I N -1.764 119.046 120.570 0.401 0.000 3.023 348 I HA 0.502 4.672 4.170 -0.001 0.000 0.312 348 I C -0.466 175.691 176.117 0.067 0.000 1.056 348 I CA -1.496 59.994 61.300 0.316 0.000 1.033 348 I CB 1.454 39.556 38.000 0.171 0.000 1.233 348 I HN 0.417 nan 8.210 nan 0.000 0.462 349 L N 2.540 123.628 121.223 -0.225 0.000 2.418 349 L HA 0.447 4.786 4.340 -0.001 0.000 0.265 349 L C -2.103 174.650 176.870 -0.195 0.000 1.143 349 L CA -1.469 53.132 54.840 -0.400 0.000 0.809 349 L CB 0.650 42.350 42.059 -0.598 0.000 1.124 349 L HN 0.430 nan 8.230 nan 0.000 0.456 350 P HA 0.047 nan 4.420 nan 0.000 0.272 350 P C -1.084 176.138 177.300 -0.129 0.000 1.240 350 P CA -0.349 62.672 63.100 -0.133 0.000 0.791 350 P CB 0.586 32.222 31.700 -0.108 0.000 0.978 351 V N 1.911 121.739 119.914 -0.144 0.000 2.334 351 V HA 0.389 4.508 4.120 -0.001 0.000 0.267 351 V C 1.162 177.271 176.094 0.024 0.000 1.040 351 V CA -0.026 62.225 62.300 -0.081 0.000 0.866 351 V CB 0.154 31.882 31.823 -0.158 0.000 1.019 351 V HN 0.735 nan 8.190 nan 0.000 0.468 352 G N 4.335 113.161 108.800 0.043 0.000 2.514 352 G HA2 0.506 4.466 3.960 -0.001 0.000 0.245 352 G HA3 0.506 4.466 3.960 -0.001 0.000 0.245 352 G C 0.285 175.300 174.900 0.193 0.000 1.488 352 G CA 0.457 45.609 45.100 0.086 0.000 1.063 352 G HN 0.749 nan 8.290 nan 0.000 0.557 353 T N -4.023 110.627 114.554 0.160 0.000 2.883 353 T HA 0.433 4.783 4.350 -0.001 0.000 0.284 353 T C 0.917 175.771 174.700 0.257 0.000 1.041 353 T CA -0.378 61.842 62.100 0.200 0.000 1.007 353 T CB 1.370 70.335 68.868 0.162 0.000 1.220 353 T HN 0.310 nan 8.240 nan 0.000 0.552 354 F N 1.037 121.069 119.950 0.137 0.000 2.095 354 F HA -0.038 4.489 4.527 -0.001 0.000 0.298 354 F C 1.820 177.683 175.800 0.105 0.000 1.104 354 F CA 1.780 59.863 58.000 0.139 0.000 1.232 354 F CB -0.354 38.668 39.000 0.036 0.000 0.987 354 F HN 0.575 nan 8.300 nan 0.000 0.475 355 D N 0.137 120.609 120.400 0.119 0.000 2.363 355 D HA -0.103 4.537 4.640 -0.001 0.000 0.220 355 D C 0.256 176.571 176.300 0.026 0.000 0.994 355 D CA 0.455 54.477 54.000 0.036 0.000 0.890 355 D CB -0.574 40.289 40.800 0.106 0.000 0.906 355 D HN 0.353 nan 8.370 nan 0.000 0.530 356 D N 0.827 121.262 120.400 0.057 0.000 2.525 356 D HA -0.013 4.626 4.640 -0.001 0.000 0.235 356 D C 1.179 177.493 176.300 0.023 0.000 1.137 356 D CA 0.460 54.486 54.000 0.043 0.000 0.868 356 D CB 0.797 41.613 40.800 0.026 0.000 1.180 356 D HN 0.208 nan 8.370 nan 0.000 0.465 357 I N -0.468 120.097 120.570 -0.009 0.000 3.297 357 I HA 0.148 4.318 4.170 -0.001 0.000 0.321 357 I C -0.259 175.842 176.117 -0.027 0.000 1.503 357 I CA -0.605 60.681 61.300 -0.022 0.000 0.929 357 I CB 0.254 38.266 38.000 0.020 0.000 1.531 357 I HN 0.061 nan 8.210 nan 0.000 0.599 358 S N 0.157 115.831 115.700 -0.044 0.000 2.689 358 S HA 0.554 5.024 4.470 -0.001 0.000 0.306 358 S C 0.273 174.837 174.600 -0.060 0.000 1.104 358 S CA -0.847 57.330 58.200 -0.038 0.000 0.973 358 S CB 2.095 65.277 63.200 -0.029 0.000 1.121 358 S HN 0.296 nan 8.310 nan 0.000 0.523 359 K N 0.499 120.873 120.400 -0.044 0.000 2.469 359 K HA 0.240 4.559 4.320 -0.001 0.000 0.201 359 K C -0.026 176.540 176.600 -0.057 0.000 1.028 359 K CA -0.196 56.064 56.287 -0.046 0.000 1.170 359 K CB -0.222 32.270 32.500 -0.013 0.000 0.874 359 K HN 0.415 nan 8.250 nan 0.000 0.507 360 N N 0.652 119.310 118.700 -0.070 0.000 2.236 360 N HA 0.015 4.755 4.740 -0.001 0.000 0.196 360 N C -0.168 175.264 175.510 -0.130 0.000 1.114 360 N CA 0.314 53.312 53.050 -0.086 0.000 0.859 360 N CB 1.091 39.543 38.487 -0.057 0.000 0.982 360 N HN -0.046 nan 8.380 nan 0.000 0.493 361 T N -0.465 114.008 114.554 -0.136 0.000 2.903 361 T HA 0.295 4.644 4.350 -0.001 0.000 0.299 361 T C 1.453 176.046 174.700 -0.179 0.000 1.093 361 T CA -0.561 61.449 62.100 -0.149 0.000 1.002 361 T CB 2.765 71.572 68.868 -0.102 0.000 1.127 361 T HN -0.363 nan 8.240 nan 0.000 0.488 362 V N 2.723 122.534 119.914 -0.172 0.000 2.237 362 V HA -0.166 3.954 4.120 -0.001 0.000 0.245 362 V C 2.531 178.497 176.094 -0.214 0.000 1.046 362 V CA 1.771 63.973 62.300 -0.163 0.000 1.007 362 V CB -0.529 31.226 31.823 -0.113 0.000 0.638 362 V HN 0.722 nan 8.190 nan 0.000 0.445 363 R N 0.229 120.588 120.500 -0.235 0.000 2.092 363 R HA -0.062 4.277 4.340 -0.001 0.000 0.231 363 R C 2.485 178.257 176.300 -0.880 0.000 1.119 363 R CA 1.299 57.108 56.100 -0.485 0.000 0.970 363 R CB -0.867 29.296 30.300 -0.229 0.000 0.864 363 R HN 0.597 nan 8.270 nan 0.000 0.440 364 G N 1.381 109.915 108.800 -0.444 0.000 2.446 364 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.217 364 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.217 364 G C 1.441 176.150 174.900 -0.318 0.000 1.168 364 G CA 0.726 45.629 45.100 -0.328 0.000 0.771 364 G HN 0.174 nan 8.290 nan 0.000 0.551 365 I N 0.264 120.680 120.570 -0.257 0.000 2.286 365 I HA -0.107 4.063 4.170 -0.001 0.000 0.248 365 I C 2.698 178.705 176.117 -0.184 0.000 1.115 365 I CA 0.552 61.749 61.300 -0.172 0.000 1.392 365 I CB -0.164 37.762 38.000 -0.122 0.000 1.065 365 I HN 0.141 nan 8.210 nan 0.000 0.418 366 L N -0.177 120.876 121.223 -0.283 0.000 2.046 366 L HA -0.236 4.104 4.340 -0.001 0.000 0.208 366 L C 2.769 179.566 176.870 -0.123 0.000 1.077 366 L CA 1.162 55.886 54.840 -0.195 0.000 0.747 366 L CB -0.879 41.058 42.059 -0.204 0.000 0.896 366 L HN 0.344 nan 8.230 nan 0.000 0.432 367 H N 0.164 119.077 119.070 -0.262 0.000 2.276 367 H HA -0.132 4.423 4.556 -0.001 0.000 0.301 367 H C 2.275 177.494 175.328 -0.181 0.000 1.073 367 H CA 1.853 57.635 56.048 -0.443 0.000 1.311 367 H CB -0.712 28.362 29.762 -1.147 0.000 1.379 367 H HN 0.442 nan 8.280 nan 0.000 0.494 368 I N 0.340 120.888 120.570 -0.037 0.000 2.361 368 I HA -0.146 4.023 4.170 -0.001 0.000 0.251 368 I C 1.959 178.084 176.117 0.014 0.000 1.133 368 I CA 2.060 63.362 61.300 0.004 0.000 1.413 368 I CB -0.600 37.390 38.000 -0.017 0.000 1.073 368 I HN 0.172 nan 8.210 nan 0.000 0.424 369 T N -0.963 113.589 114.554 -0.004 0.000 3.107 369 T HA 0.528 4.877 4.350 -0.001 0.000 0.249 369 T C 0.925 175.636 174.700 0.018 0.000 1.096 369 T CA 0.090 62.192 62.100 0.004 0.000 1.012 369 T CB -0.320 68.543 68.868 -0.009 0.000 0.977 369 T HN 0.428 nan 8.240 nan 0.000 0.527 370 A N 1.642 124.488 122.820 0.043 0.000 2.425 370 A HA 0.349 4.668 4.320 -0.001 0.000 0.242 370 A C 0.301 177.907 177.584 0.038 0.000 1.077 370 A CA -0.454 51.620 52.037 0.060 0.000 0.781 370 A CB -0.026 19.050 19.000 0.125 0.000 1.020 370 A HN 0.338 nan 8.150 nan 0.000 0.494 371 D N 1.261 121.668 120.400 0.012 0.000 2.359 371 D HA 0.135 4.774 4.640 -0.001 0.000 0.250 371 D C -0.652 175.611 176.300 -0.062 0.000 1.264 371 D CA -0.035 53.949 54.000 -0.027 0.000 0.911 371 D CB 0.333 41.106 40.800 -0.044 0.000 1.056 371 D HN 0.445 nan 8.370 nan 0.000 0.499 372 D N 4.207 124.579 120.400 -0.046 0.000 2.349 372 D HA 0.088 4.727 4.640 -0.001 0.000 0.266 372 D C -0.192 176.007 176.300 -0.168 0.000 1.293 372 D CA 0.060 54.018 54.000 -0.069 0.000 0.926 372 D CB 0.122 40.914 40.800 -0.012 0.000 1.090 372 D HN 0.378 nan 8.370 nan 0.000 0.502 373 L N 2.640 123.664 121.223 -0.332 0.000 2.335 373 L HA 0.691 5.030 4.340 -0.001 0.000 0.268 373 L C 1.619 178.261 176.870 -0.379 0.000 1.016 373 L CA -0.653 53.870 54.840 -0.528 0.000 0.805 373 L CB 0.981 42.340 42.059 -1.167 0.000 1.311 373 L HN 0.627 nan 8.230 nan 0.000 0.456 374 G N 0.742 109.396 108.800 -0.243 0.000 2.598 374 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.269 374 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.269 374 G C -2.461 172.428 174.900 -0.017 0.000 1.289 374 G CA -0.557 44.557 45.100 0.023 0.000 0.926 374 G HN 0.524 nan 8.290 nan 0.000 0.567 375 P HA 0.250 nan 4.420 nan 0.000 0.264 375 P C 0.486 177.776 177.300 -0.017 0.000 1.193 375 P CA 0.491 63.585 63.100 -0.010 0.000 0.763 375 P CB 0.004 31.699 31.700 -0.008 0.000 0.810 376 T N 2.438 116.986 114.554 -0.009 0.000 2.903 376 T HA 0.286 4.636 4.350 -0.001 0.000 0.299 376 T C 0.952 175.661 174.700 0.016 0.000 1.041 376 T CA 1.694 63.793 62.100 -0.001 0.000 1.138 376 T CB -0.510 68.362 68.868 0.008 0.000 1.040 376 T HN 0.952 nan 8.240 nan 0.000 0.524 377 G N 2.213 111.029 108.800 0.027 0.000 2.725 377 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.220 377 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.220 377 G C -0.451 174.466 174.900 0.028 0.000 1.357 377 G CA -0.319 44.816 45.100 0.058 0.000 0.866 377 G HN 0.976 nan 8.290 nan 0.000 0.548 378 W N 2.838 124.009 121.300 -0.213 0.000 2.223 378 W HA 0.481 5.141 4.660 -0.001 0.000 0.334 378 W C 0.739 177.166 176.519 -0.155 0.000 1.334 378 W CA 0.969 58.101 57.345 -0.355 0.000 1.246 378 W CB 0.394 29.451 29.460 -0.671 0.000 1.184 378 W HN 0.829 nan 8.180 nan 0.000 0.563 379 D N 3.208 123.047 120.400 -0.935 0.000 2.570 379 D HA 0.372 5.011 4.640 -0.001 0.000 0.244 379 D C 0.142 175.624 176.300 -1.362 0.000 1.178 379 D CA -0.371 53.160 54.000 -0.781 0.000 0.881 379 D CB 1.400 42.011 40.800 -0.315 0.000 1.453 379 D HN 0.449 nan 8.370 nan 0.000 0.447 380 A N 0.500 122.850 122.820 -0.784 0.000 2.125 380 A HA -0.142 4.178 4.320 -0.001 0.000 0.219 380 A C 1.235 178.569 177.584 -0.418 0.000 1.156 380 A CA 1.415 53.126 52.037 -0.544 0.000 0.671 380 A CB -0.311 18.575 19.000 -0.190 0.000 0.794 380 A HN 0.564 nan 8.150 nan 0.000 0.459 381 D N -1.516 118.635 120.400 -0.416 0.000 2.355 381 D HA 0.002 4.642 4.640 -0.001 0.000 0.233 381 D C 1.315 177.350 176.300 -0.442 0.000 0.997 381 D CA 1.165 54.909 54.000 -0.426 0.000 0.920 381 D CB -0.361 40.130 40.800 -0.514 0.000 1.063 381 D HN 0.575 nan 8.370 nan 0.000 0.465 382 Y N 1.030 121.164 120.300 -0.275 0.000 2.523 382 Y HA 0.226 4.775 4.550 -0.001 0.000 0.279 382 Y C 1.848 177.602 175.900 -0.244 0.000 1.139 382 Y CA 0.344 58.321 58.100 -0.205 0.000 1.296 382 Y CB 0.231 38.598 38.460 -0.155 0.000 1.045 382 Y HN 0.092 nan 8.280 nan 0.000 0.538 383 G N 0.316 108.879 108.800 -0.394 0.000 2.527 383 G HA2 -0.394 3.565 3.960 -0.001 0.000 0.268 383 G HA3 -0.394 3.565 3.960 -0.001 0.000 0.268 383 G C 0.474 175.118 174.900 -0.426 0.000 1.175 383 G CA 0.498 45.237 45.100 -0.602 0.000 0.962 383 G HN 0.316 nan 8.290 nan 0.000 0.560 384 Y N 2.505 122.820 120.300 0.024 0.000 2.571 384 Y HA 0.347 4.896 4.550 -0.001 0.000 0.294 384 Y C 2.039 177.958 175.900 0.031 0.000 1.141 384 Y CA 2.236 60.380 58.100 0.072 0.000 1.308 384 Y CB -0.035 38.473 38.460 0.080 0.000 1.002 384 Y HN 1.632 nan 8.280 nan 0.000 0.551 385 G N -0.895 108.000 108.800 0.158 0.000 2.331 385 G HA2 -0.026 3.933 3.960 -0.001 0.000 0.402 385 G HA3 -0.026 3.933 3.960 -0.001 0.000 0.402 385 G C -1.696 173.267 174.900 0.104 0.000 1.275 385 G CA -0.877 44.270 45.100 0.078 0.000 1.003 385 G HN -0.162 nan 8.290 nan 0.000 0.500 386 V N 0.865 120.807 119.914 0.046 0.000 2.432 386 V HA 0.422 4.542 4.120 -0.001 0.000 0.271 386 V C 1.215 177.340 176.094 0.052 0.000 1.046 386 V CA -0.532 61.802 62.300 0.057 0.000 0.945 386 V CB 1.108 32.948 31.823 0.029 0.000 0.992 386 V HN 0.828 nan 8.190 nan 0.000 0.471 387 V N 6.463 126.416 119.914 0.064 0.000 2.694 387 V HA 0.093 4.213 4.120 -0.001 0.000 0.306 387 V C 0.524 176.637 176.094 0.031 0.000 1.054 387 V CA 0.236 62.569 62.300 0.055 0.000 1.161 387 V CB 0.023 31.887 31.823 0.068 0.000 0.916 387 V HN 0.862 nan 8.190 nan 0.000 0.490 388 R N 3.232 123.745 120.500 0.021 0.000 2.467 388 R HA 0.544 4.883 4.340 -0.001 0.000 0.299 388 R C 0.871 177.172 176.300 0.001 0.000 1.120 388 R CA 0.018 56.121 56.100 0.006 0.000 0.940 388 R CB 1.422 31.722 30.300 -0.000 0.000 1.161 388 R HN 0.804 nan 8.270 nan 0.000 0.506 389 A N 2.605 125.425 122.820 -0.001 0.000 1.883 389 A HA -0.210 4.109 4.320 -0.001 0.000 0.217 389 A C 2.157 179.732 177.584 -0.015 0.000 1.186 389 A CA 2.139 54.175 52.037 -0.001 0.000 0.624 389 A CB -0.509 18.490 19.000 -0.001 0.000 0.822 389 A HN 0.762 nan 8.150 nan 0.000 0.444 390 A N -0.414 122.382 122.820 -0.040 0.000 1.892 390 A HA -0.115 4.204 4.320 -0.001 0.000 0.218 390 A C 2.213 179.786 177.584 -0.018 0.000 1.188 390 A CA 1.712 53.724 52.037 -0.042 0.000 0.631 390 A CB -0.636 18.327 19.000 -0.061 0.000 0.822 390 A HN 0.491 nan 8.150 nan 0.000 0.447 391 L N -1.167 120.048 121.223 -0.014 0.000 2.109 391 L HA -0.111 4.228 4.340 -0.001 0.000 0.207 391 L C 3.100 179.971 176.870 0.001 0.000 1.086 391 L CA 0.813 55.650 54.840 -0.005 0.000 0.760 391 L CB -0.537 41.519 42.059 -0.005 0.000 0.910 391 L HN 0.447 nan 8.230 nan 0.000 0.437 392 A N -0.204 122.616 122.820 -0.000 0.000 1.908 392 A HA -0.165 4.154 4.320 -0.001 0.000 0.218 392 A C 2.311 179.906 177.584 0.018 0.000 1.181 392 A CA 1.865 53.902 52.037 -0.001 0.000 0.627 392 A CB -0.794 18.203 19.000 -0.005 0.000 0.818 392 A HN 0.200 nan 8.150 nan 0.000 0.445 393 V N -0.134 119.796 119.914 0.027 0.000 2.427 393 V HA -0.216 3.904 4.120 -0.001 0.000 0.248 393 V C 2.703 178.832 176.094 0.058 0.000 1.051 393 V CA 1.878 64.209 62.300 0.052 0.000 1.048 393 V CB -0.661 31.189 31.823 0.045 0.000 0.666 393 V HN 0.525 nan 8.190 nan 0.000 0.456 394 Q N 0.005 119.826 119.800 0.035 0.000 2.124 394 Q HA -0.112 4.228 4.340 -0.001 0.000 0.202 394 Q C 2.416 178.446 176.000 0.050 0.000 0.977 394 Q CA 1.894 57.718 55.803 0.035 0.000 0.850 394 Q CB -0.649 28.099 28.738 0.017 0.000 0.901 394 Q HN 0.646 nan 8.270 nan 0.000 0.429 395 A N 0.703 123.549 122.820 0.042 0.000 1.969 395 A HA 0.008 4.327 4.320 -0.001 0.000 0.218 395 A C 2.273 179.906 177.584 0.081 0.000 1.169 395 A CA 1.571 53.634 52.037 0.044 0.000 0.635 395 A CB -0.455 18.555 19.000 0.015 0.000 0.810 395 A HN 0.341 nan 8.150 nan 0.000 0.445 396 A N -0.226 122.659 122.820 0.108 0.000 1.898 396 A HA 0.055 4.374 4.320 -0.001 0.000 0.216 396 A C 2.027 179.829 177.584 0.364 0.000 1.181 396 A CA 1.384 53.547 52.037 0.211 0.000 0.620 396 A CB -0.458 18.666 19.000 0.207 0.000 0.819 396 A HN 0.452 nan 8.150 nan 0.000 0.442 397 L N -0.539 120.828 121.223 0.240 0.000 2.446 397 L HA 0.135 4.474 4.340 -0.001 0.000 0.219 397 L C 1.804 178.770 176.870 0.161 0.000 1.116 397 L CA -0.049 54.907 54.840 0.194 0.000 0.844 397 L CB -0.757 41.340 42.059 0.063 0.000 0.970 397 L HN 0.434 nan 8.230 nan 0.000 0.457 398 G N 0.000 108.877 108.800 0.128 0.000 5.446 398 G HA2 0.000 3.959 3.960 -0.001 0.000 0.244 398 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 398 G CA 0.000 45.154 45.100 0.090 0.000 0.502 398 G HN 0.000 nan 8.290 nan 0.000 0.925