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 3ic9_1_B DATA FIRST_RESID 2 DATA SEQUENCE KVINVDVAII GTGTAGXGAY RAAKKHTDKV VLIEGGAYGT TCARVGCXPS DATA SEQUENCE KLLIAAADAS YHASQTDLFG IQVDRISVNG KAVXKRIQTE RDRFVGFVVE DATA SEQUENCE SVESFDEQDK IRGFAKFLDE HTLQVDDHSQ VIAKRIVIAT GSRPNYPEFL DATA SEQUENCE AAAGSRLLTN DNLFELNDLP KSVAVFGPGV IGLELGQALS RLGVIVKVFG DATA SEQUENCE RSGSVANLQD EEXKRYAEKT FNEEFYFDAK ARVISTIEKE DAVEVIYFDK DATA SEQUENCE SGQKTTESFQ YVLAATGRKA NVDKLGLENT SIELDKKNSP LFDELTLQTS DATA SEQUENCE VDHIFVAGDA NNTLTLLHEA ADDGKVAGTN AGAYPVIAQG QRRAPLSVVF DATA SEQUENCE TEPQVASVGL SLRQIEDLYA DQDAANYVVG QVSFEGQGRS RVXGKNKGLL DATA SEQUENCE NVYADRTSGE FLGAEXFGPA AEHIGHLLAW ARQQQXTVQA XLTXPFYHPV DATA SEQUENCE IEEGLRTALR DAQQKLAIEK HDXNEFIXTH 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.622 176.600 0.037 0.000 0.988 2 K CA 0.000 56.312 56.287 0.042 0.000 0.838 2 K CB 0.000 32.527 32.500 0.045 0.000 1.064 3 V N 4.330 124.259 119.914 0.025 0.000 2.435 3 V HA 0.629 4.749 4.120 -0.000 0.000 0.290 3 V C -0.028 176.077 176.094 0.018 0.000 1.030 3 V CA -0.638 61.673 62.300 0.019 0.000 0.881 3 V CB 1.177 33.008 31.823 0.013 0.000 0.983 3 V HN 0.788 nan 8.190 nan 0.000 0.445 4 I N 1.453 122.033 120.570 0.017 0.000 2.647 4 I HA 0.610 4.780 4.170 -0.000 0.000 0.295 4 I C -0.831 175.293 176.117 0.011 0.000 1.078 4 I CA -0.730 60.580 61.300 0.016 0.000 1.048 4 I CB 2.368 40.380 38.000 0.021 0.000 1.239 4 I HN 0.456 nan 8.210 nan 0.000 0.421 5 N N 4.715 123.420 118.700 0.009 0.000 2.426 5 N HA 0.574 5.314 4.740 -0.000 0.000 0.275 5 N C -0.554 174.961 175.510 0.009 0.000 1.019 5 N CA -0.265 52.788 53.050 0.005 0.000 0.941 5 N CB 2.948 41.433 38.487 -0.003 0.000 1.123 5 N HN 0.628 nan 8.380 nan 0.000 0.486 6 V N -0.690 119.230 119.914 0.011 0.000 3.040 6 V HA 0.424 4.544 4.120 -0.000 0.000 0.312 6 V C 0.184 176.287 176.094 0.015 0.000 1.115 6 V CA -0.772 61.538 62.300 0.018 0.000 0.998 6 V CB 2.215 34.054 31.823 0.027 0.000 1.042 6 V HN 0.352 nan 8.190 nan 0.000 0.433 7 D N 1.069 121.479 120.400 0.018 0.000 2.137 7 D HA 0.114 4.754 4.640 -0.000 0.000 0.202 7 D C 0.530 176.846 176.300 0.027 0.000 0.970 7 D CA 1.487 55.498 54.000 0.018 0.000 0.837 7 D CB 0.308 41.121 40.800 0.023 0.000 0.981 7 D HN 0.440 nan 8.370 nan 0.000 0.475 8 V N 0.535 120.467 119.914 0.031 0.000 2.525 8 V HA 0.671 4.791 4.120 -0.000 0.000 0.299 8 V C -0.560 175.562 176.094 0.047 0.000 1.034 8 V CA -1.113 61.210 62.300 0.038 0.000 0.863 8 V CB 1.759 33.592 31.823 0.016 0.000 0.999 8 V HN 0.087 nan 8.190 nan 0.000 0.423 9 A N 6.174 129.024 122.820 0.051 0.000 2.303 9 A HA 0.900 5.220 4.320 -0.000 0.000 0.320 9 A C -0.758 176.850 177.584 0.040 0.000 1.192 9 A CA -0.441 51.616 52.037 0.034 0.000 0.821 9 A CB 0.612 19.613 19.000 0.001 0.000 1.188 9 A HN 0.789 nan 8.150 nan 0.000 0.492 10 I N 3.591 124.185 120.570 0.039 0.000 2.354 10 I HA 0.276 4.446 4.170 -0.000 0.000 0.286 10 I C -0.538 175.594 176.117 0.025 0.000 1.007 10 I CA -0.181 61.146 61.300 0.044 0.000 1.167 10 I CB 1.411 39.448 38.000 0.061 0.000 1.320 10 I HN 0.505 nan 8.210 nan 0.000 0.458 11 I N 6.488 127.072 120.570 0.023 0.000 2.308 11 I HA 0.528 4.698 4.170 -0.000 0.000 0.293 11 I C 0.694 176.834 176.117 0.037 0.000 1.078 11 I CA -0.093 61.214 61.300 0.012 0.000 1.292 11 I CB 0.290 38.290 38.000 0.001 0.000 1.423 11 I HN 0.833 nan 8.210 nan 0.000 0.493 12 G N 3.273 112.093 108.800 0.032 0.000 3.363 12 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.685 12 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.685 12 G C -0.264 174.674 174.900 0.064 0.000 1.199 12 G CA -1.009 44.117 45.100 0.044 0.000 0.946 12 G HN 0.488 nan 8.290 nan 0.000 0.558 13 T N 2.439 117.044 114.554 0.085 0.000 3.213 13 T HA 0.581 4.931 4.350 -0.000 0.000 0.240 13 T C 1.308 176.100 174.700 0.153 0.000 1.033 13 T CA 0.580 62.770 62.100 0.151 0.000 1.087 13 T CB 0.567 69.609 68.868 0.290 0.000 1.119 13 T HN 1.151 nan 8.240 nan 0.000 0.571 14 G N 0.786 109.651 108.800 0.108 0.000 2.695 14 G HA2 0.319 4.279 3.960 -0.000 0.000 0.213 14 G HA3 0.319 4.279 3.960 -0.000 0.000 0.213 14 G C 1.114 176.073 174.900 0.099 0.000 1.406 14 G CA -0.335 44.824 45.100 0.098 0.000 1.049 14 G HN 0.235 nan 8.290 nan 0.000 0.573 15 T N 1.033 115.636 114.554 0.081 0.000 2.674 15 T HA -0.096 4.254 4.350 -0.000 0.000 0.265 15 T C 2.765 177.509 174.700 0.074 0.000 1.039 15 T CA 2.124 64.271 62.100 0.078 0.000 1.150 15 T CB -0.591 68.314 68.868 0.062 0.000 0.864 15 T HN 0.567 nan 8.240 nan 0.000 0.427 16 A N 1.603 124.457 122.820 0.056 0.000 1.902 16 A HA 0.250 4.570 4.320 -0.000 0.000 0.217 16 A C 1.717 179.335 177.584 0.058 0.000 1.181 16 A CA 1.408 53.472 52.037 0.045 0.000 0.623 16 A CB -1.351 17.665 19.000 0.026 0.000 0.818 16 A HN 0.539 nan 8.150 nan 0.000 0.443 20 A N 0.269 123.118 122.820 0.049 0.000 1.908 20 A HA 0.025 4.345 4.320 -0.000 0.000 0.218 20 A C 2.058 179.653 177.584 0.018 0.000 1.181 20 A CA 2.218 54.265 52.037 0.015 0.000 0.627 20 A CB -0.737 18.270 19.000 0.012 0.000 0.818 20 A HN 0.829 nan 8.150 nan 0.000 0.445 21 Y N 0.579 120.824 120.300 -0.091 0.000 2.114 21 Y HA -0.219 4.331 4.550 -0.000 0.000 0.284 21 Y C 2.502 178.294 175.900 -0.180 0.000 1.143 21 Y CA 2.156 60.158 58.100 -0.162 0.000 1.135 21 Y CB -0.364 37.939 38.460 -0.262 0.000 0.980 21 Y HN 0.262 nan 8.280 nan 0.000 0.499 22 R N 0.084 120.458 120.500 -0.210 0.000 2.091 22 R HA -0.164 4.176 4.340 -0.000 0.000 0.238 22 R C 2.542 178.726 176.300 -0.194 0.000 1.136 22 R CA 1.291 57.238 56.100 -0.256 0.000 0.959 22 R CB -0.727 29.539 30.300 -0.058 0.000 0.856 22 R HN 0.467 nan 8.270 nan 0.000 0.437 23 A N 1.236 123.996 122.820 -0.100 0.000 1.877 23 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 23 A C 2.364 179.943 177.584 -0.009 0.000 1.186 23 A CA 1.697 53.710 52.037 -0.041 0.000 0.620 23 A CB -0.648 18.344 19.000 -0.014 0.000 0.822 23 A HN 0.401 nan 8.150 nan 0.000 0.443 24 A N -0.658 122.118 122.820 -0.073 0.000 1.968 24 A HA -0.064 4.256 4.320 -0.000 0.000 0.217 24 A C 2.003 179.538 177.584 -0.082 0.000 1.169 24 A CA 1.465 53.474 52.037 -0.046 0.000 0.638 24 A CB -0.281 18.668 19.000 -0.085 0.000 0.812 24 A HN 0.336 nan 8.150 nan 0.000 0.446 25 K N 0.480 120.726 120.400 -0.257 0.000 2.280 25 K HA -0.086 4.234 4.320 -0.000 0.000 0.202 25 K C 1.459 177.945 176.600 -0.190 0.000 1.047 25 K CA 0.940 57.050 56.287 -0.295 0.000 0.942 25 K CB -0.157 32.021 32.500 -0.537 0.000 0.739 25 K HN 0.507 nan 8.250 nan 0.000 0.457 26 K N -0.006 120.288 120.400 -0.176 0.000 2.283 26 K HA -0.089 4.231 4.320 -0.000 0.000 0.202 26 K C 1.635 178.048 176.600 -0.311 0.000 1.048 26 K CA 0.903 57.045 56.287 -0.241 0.000 0.948 26 K CB -0.047 32.274 32.500 -0.298 0.000 0.742 26 K HN 0.396 nan 8.250 nan 0.000 0.458 27 H N -0.587 118.434 119.070 -0.081 0.000 2.604 27 H HA 0.093 4.649 4.556 0.000 0.000 0.273 27 H C 0.395 175.697 175.328 -0.044 0.000 0.971 27 H CA 0.660 56.677 56.048 -0.051 0.000 1.249 27 H CB 1.186 30.924 29.762 -0.040 0.000 1.449 27 H HN 0.042 nan 8.280 nan 0.000 0.512 28 T N -0.090 114.491 114.554 0.044 0.000 2.982 28 T HA 0.110 4.460 4.350 -0.000 0.000 0.321 28 T C -0.208 174.471 174.700 -0.035 0.000 1.229 28 T CA -0.689 61.418 62.100 0.012 0.000 1.044 28 T CB 1.794 70.681 68.868 0.031 0.000 1.184 28 T HN -0.122 nan 8.240 nan 0.000 0.477 29 D N 2.415 122.798 120.400 -0.029 0.000 2.264 29 D HA 0.043 4.683 4.640 -0.000 0.000 0.208 29 D C 0.480 176.770 176.300 -0.016 0.000 0.966 29 D CA 0.999 54.978 54.000 -0.035 0.000 0.864 29 D CB 0.320 41.109 40.800 -0.018 0.000 0.933 29 D HN 0.518 nan 8.370 nan 0.000 0.499 30 K N 0.875 121.274 120.400 -0.002 0.000 2.222 30 K HA 0.303 4.623 4.320 -0.000 0.000 0.243 30 K C -0.859 175.756 176.600 0.026 0.000 1.160 30 K CA -0.163 56.134 56.287 0.016 0.000 1.090 30 K CB 1.221 33.731 32.500 0.015 0.000 1.694 30 K HN -0.189 nan 8.250 nan 0.000 0.361 31 V N 2.025 121.968 119.914 0.048 0.000 2.577 31 V HA 0.337 4.457 4.120 -0.000 0.000 0.303 31 V C -0.202 175.984 176.094 0.154 0.000 1.042 31 V CA -1.168 61.185 62.300 0.089 0.000 0.872 31 V CB 1.728 33.588 31.823 0.062 0.000 0.998 31 V HN 0.329 nan 8.190 nan 0.000 0.423 32 V N 3.102 123.079 119.914 0.106 0.000 2.628 32 V HA 0.749 4.869 4.120 -0.000 0.000 0.306 32 V C -0.706 175.412 176.094 0.039 0.000 1.045 32 V CA -0.796 61.544 62.300 0.068 0.000 0.905 32 V CB 1.887 33.733 31.823 0.039 0.000 0.997 32 V HN 0.690 nan 8.190 nan 0.000 0.436 33 L N 4.876 126.077 121.223 -0.035 0.000 2.305 33 L HA 0.625 4.965 4.340 -0.000 0.000 0.284 33 L C -0.630 176.241 176.870 0.002 0.000 1.013 33 L CA -0.388 54.424 54.840 -0.047 0.000 0.819 33 L CB 1.659 43.614 42.059 -0.174 0.000 1.227 33 L HN 0.625 nan 8.230 nan 0.000 0.417 34 I N 3.012 123.587 120.570 0.008 0.000 2.412 34 I HA 0.447 4.617 4.170 -0.000 0.000 0.296 34 I C -0.429 175.671 176.117 -0.027 0.000 0.987 34 I CA -0.490 60.806 61.300 -0.007 0.000 1.180 34 I CB 1.912 39.894 38.000 -0.030 0.000 1.340 34 I HN 0.446 nan 8.210 nan 0.000 0.455 35 E N 3.308 123.453 120.200 -0.092 0.000 2.281 35 E HA 0.436 4.786 4.350 -0.000 0.000 0.266 35 E C 0.172 176.517 176.600 -0.425 0.000 0.893 35 E CA -0.441 55.829 56.400 -0.217 0.000 0.798 35 E CB 1.680 31.221 29.700 -0.266 0.000 1.245 35 E HN 0.627 nan 8.360 nan 0.000 0.410 36 G N 2.468 110.905 108.800 -0.606 0.000 2.603 36 G HA2 0.255 4.215 3.960 -0.000 0.000 0.214 36 G HA3 0.255 4.215 3.960 -0.000 0.000 0.214 36 G C 0.636 174.885 174.900 -1.084 0.000 1.140 36 G CA 0.438 44.710 45.100 -1.381 0.000 0.800 36 G HN 0.554 nan 8.290 nan 0.000 0.533 37 G N -0.356 108.126 108.800 -0.530 0.000 3.008 37 G HA2 0.574 4.534 3.960 -0.000 0.000 0.181 37 G HA3 0.574 4.534 3.960 -0.000 0.000 0.181 37 G C -0.343 174.378 174.900 -0.299 0.000 1.309 37 G CA 0.029 44.982 45.100 -0.245 0.000 1.009 37 G HN 0.476 nan 8.290 nan 0.000 0.584 38 A N -1.115 121.604 122.820 -0.168 0.000 2.363 38 A HA 0.608 4.928 4.320 -0.000 0.000 0.270 38 A C -0.619 176.875 177.584 -0.150 0.000 1.121 38 A CA -0.405 51.537 52.037 -0.159 0.000 0.800 38 A CB -0.164 18.810 19.000 -0.043 0.000 1.052 38 A HN 0.477 nan 8.150 nan 0.000 0.493 39 Y N 0.445 120.729 120.300 -0.027 0.000 2.357 39 Y HA 0.376 4.926 4.550 0.000 0.000 0.340 39 Y C 1.667 177.561 175.900 -0.010 0.000 1.260 39 Y CA 1.349 59.435 58.100 -0.023 0.000 1.425 39 Y CB 0.878 39.313 38.460 -0.042 0.000 1.326 39 Y HN 1.005 nan 8.280 nan 0.000 0.580 40 G N -0.387 108.531 108.800 0.196 0.000 2.485 40 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.181 40 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.181 40 G C -0.007 174.952 174.900 0.098 0.000 0.999 40 G CA 0.059 45.228 45.100 0.115 0.000 0.721 40 G HN 1.519 nan 8.290 nan 0.000 0.486 41 T N -3.062 111.553 114.554 0.101 0.000 0.541 41 T HA -0.135 4.215 4.350 -0.000 0.000 0.774 41 T C 0.864 175.601 174.700 0.062 0.000 0.992 41 T CA 1.344 63.493 62.100 0.081 0.000 4.077 41 T CB -1.391 67.522 68.868 0.076 0.000 2.303 41 T HN 1.141 nan 8.240 nan 0.000 0.398 42 T N 1.028 115.616 114.554 0.055 0.000 2.788 42 T HA -0.133 4.217 4.350 -0.000 0.000 0.268 42 T C 2.478 177.199 174.700 0.035 0.000 1.044 42 T CA 1.792 63.922 62.100 0.050 0.000 1.139 42 T CB -0.599 68.301 68.868 0.053 0.000 0.867 42 T HN 0.964 nan 8.240 nan 0.000 0.454 43 C N 1.785 121.101 119.300 0.026 0.000 2.413 43 C HA -0.036 4.424 4.460 -0.000 0.000 0.278 43 C C 3.091 178.057 174.990 -0.040 0.000 1.224 43 C CA 1.102 60.117 59.018 -0.005 0.000 1.732 43 C CB -1.411 26.329 27.740 -0.000 0.000 2.050 43 C HN 0.583 nan 8.230 nan 0.000 0.463 44 A N -0.033 122.780 122.820 -0.012 0.000 1.968 44 A HA -0.031 4.289 4.320 -0.000 0.000 0.217 44 A C 2.304 179.896 177.584 0.012 0.000 1.169 44 A CA 1.325 53.361 52.037 -0.001 0.000 0.638 44 A CB -0.544 18.505 19.000 0.083 0.000 0.812 44 A HN 0.775 nan 8.150 nan 0.000 0.446 45 R N -0.925 119.588 120.500 0.021 0.000 2.055 45 R HA -0.010 4.330 4.340 -0.000 0.000 0.228 45 R C 1.060 177.365 176.300 0.008 0.000 1.143 45 R CA 1.923 58.040 56.100 0.028 0.000 0.945 45 R CB -0.133 30.195 30.300 0.047 0.000 0.841 45 R HN 0.604 nan 8.270 nan 0.000 0.429 46 V N -4.432 115.495 119.914 0.021 0.000 3.399 46 V HA 0.468 4.588 4.120 -0.000 0.000 0.357 46 V C 0.148 176.307 176.094 0.107 0.000 1.480 46 V CA -0.036 62.326 62.300 0.103 0.000 1.263 46 V CB 0.638 32.570 31.823 0.183 0.000 1.103 46 V HN 0.317 nan 8.190 nan 0.000 0.533 47 G N -0.184 108.606 108.800 -0.016 0.000 3.387 47 G HA2 0.356 4.316 3.960 -0.000 0.000 0.194 47 G HA3 0.356 4.316 3.960 -0.000 0.000 0.194 47 G C 0.328 175.185 174.900 -0.071 0.000 1.417 47 G CA 0.231 45.337 45.100 0.010 0.000 0.777 47 G HN 0.442 nan 8.290 nan 0.000 0.721 51 S N 1.113 116.463 115.700 -0.584 0.000 2.356 51 S HA -0.149 4.321 4.470 -0.000 0.000 0.223 51 S C 2.016 176.556 174.600 -0.101 0.000 1.032 51 S CA 1.469 59.602 58.200 -0.112 0.000 1.005 51 S CB -0.320 62.919 63.200 0.065 0.000 0.867 51 S HN -0.003 nan 8.310 nan 0.000 0.449 52 K N 1.531 121.816 120.400 -0.191 0.000 2.147 52 K HA 0.210 4.530 4.320 -0.000 0.000 0.205 52 K C 1.993 178.509 176.600 -0.139 0.000 1.049 52 K CA 1.027 57.181 56.287 -0.223 0.000 0.936 52 K CB -1.025 31.261 32.500 -0.357 0.000 0.722 52 K HN 0.464 nan 8.250 nan 0.000 0.446 53 L N -0.046 121.104 121.223 -0.122 0.000 2.056 53 L HA -0.132 4.208 4.340 -0.000 0.000 0.207 53 L C 2.265 179.120 176.870 -0.024 0.000 1.078 53 L CA 0.859 55.666 54.840 -0.054 0.000 0.749 53 L CB -0.339 41.695 42.059 -0.041 0.000 0.901 53 L HN 0.175 nan 8.230 nan 0.000 0.433 54 L N -0.044 121.174 121.223 -0.009 0.000 2.017 54 L HA -0.254 4.086 4.340 -0.000 0.000 0.208 54 L C 2.534 179.413 176.870 0.014 0.000 1.073 54 L CA 1.894 56.763 54.840 0.048 0.000 0.745 54 L CB -0.236 41.917 42.059 0.157 0.000 0.894 54 L HN 0.250 nan 8.230 nan 0.000 0.432 55 I N -0.010 120.557 120.570 -0.004 0.000 2.208 55 I HA -0.299 3.871 4.170 -0.000 0.000 0.245 55 I C 2.796 178.904 176.117 -0.015 0.000 1.097 55 I CA 1.236 62.528 61.300 -0.014 0.000 1.363 55 I CB -0.478 37.516 38.000 -0.010 0.000 1.051 55 I HN 0.280 nan 8.210 nan 0.000 0.413 56 A N 0.704 123.513 122.820 -0.018 0.000 1.908 56 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 56 A C 2.530 180.116 177.584 0.003 0.000 1.181 56 A CA 2.030 54.066 52.037 -0.002 0.000 0.627 56 A CB -0.835 18.163 19.000 -0.002 0.000 0.818 56 A HN 0.455 nan 8.150 nan 0.000 0.445 57 A N -0.275 122.547 122.820 0.002 0.000 1.898 57 A HA 0.210 4.530 4.320 -0.000 0.000 0.216 57 A C 2.518 180.101 177.584 -0.001 0.000 1.181 57 A CA 1.983 54.024 52.037 0.007 0.000 0.620 57 A CB -1.023 17.985 19.000 0.013 0.000 0.819 57 A HN 1.051 nan 8.150 nan 0.000 0.442 58 A N 0.179 122.991 122.820 -0.014 0.000 1.902 58 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 58 A C 1.747 179.299 177.584 -0.054 0.000 1.181 58 A CA 2.023 54.044 52.037 -0.028 0.000 0.623 58 A CB -0.650 18.319 19.000 -0.051 0.000 0.818 58 A HN 0.448 nan 8.150 nan 0.000 0.443 59 D N -0.010 120.333 120.400 -0.096 0.000 2.144 59 D HA 0.001 4.641 4.640 -0.000 0.000 0.200 59 D C 2.217 178.349 176.300 -0.280 0.000 0.978 59 D CA 1.455 55.292 54.000 -0.271 0.000 0.833 59 D CB -0.415 40.304 40.800 -0.135 0.000 0.961 59 D HN 0.418 nan 8.370 nan 0.000 0.470 60 A N 0.322 123.111 122.820 -0.053 0.000 1.902 60 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 60 A C 2.295 179.895 177.584 0.027 0.000 1.181 60 A CA 2.208 54.260 52.037 0.026 0.000 0.623 60 A CB -0.836 18.185 19.000 0.036 0.000 0.818 60 A HN 0.246 nan 8.150 nan 0.000 0.443 61 S N -2.086 113.626 115.700 0.020 0.000 2.355 61 S HA -0.187 4.283 4.470 -0.000 0.000 0.222 61 S C 1.952 176.593 174.600 0.069 0.000 1.031 61 S CA 1.612 59.839 58.200 0.044 0.000 0.993 61 S CB -0.572 62.656 63.200 0.046 0.000 0.859 61 S HN 0.624 nan 8.310 nan 0.000 0.453 62 Y N 1.664 121.919 120.300 -0.076 0.000 2.145 62 Y HA -0.129 4.421 4.550 -0.000 0.000 0.286 62 Y C 2.165 178.091 175.900 0.043 0.000 1.145 62 Y CA 2.337 60.410 58.100 -0.045 0.000 1.148 62 Y CB -0.876 37.527 38.460 -0.096 0.000 0.981 62 Y HN 0.550 nan 8.280 nan 0.000 0.507 63 H N -1.134 117.998 119.070 0.104 0.000 2.456 63 H HA -0.058 4.498 4.556 -0.000 0.000 0.296 63 H C 2.208 177.523 175.328 -0.021 0.000 1.079 63 H CA 0.432 56.494 56.048 0.023 0.000 1.322 63 H CB -0.057 29.767 29.762 0.103 0.000 1.388 63 H HN 0.456 nan 8.280 nan 0.000 0.538 64 A N 0.754 123.629 122.820 0.091 0.000 2.015 64 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 64 A C 2.342 179.930 177.584 0.007 0.000 1.163 64 A CA 1.448 53.516 52.037 0.052 0.000 0.646 64 A CB -0.386 18.639 19.000 0.043 0.000 0.806 64 A HN 0.488 nan 8.150 nan 0.000 0.448 65 S N -1.497 114.167 115.700 -0.060 0.000 2.593 65 S HA 0.057 4.527 4.470 -0.000 0.000 0.217 65 S C 0.944 175.464 174.600 -0.132 0.000 0.966 65 S CA 0.222 58.365 58.200 -0.095 0.000 0.914 65 S CB 0.080 63.208 63.200 -0.120 0.000 0.776 65 S HN 0.477 nan 8.310 nan 0.000 0.523 66 Q N 1.637 121.362 119.800 -0.126 0.000 2.175 66 Q HA 0.182 4.522 4.340 -0.000 0.000 0.225 66 Q C 1.074 177.091 176.000 0.029 0.000 0.837 66 Q CA 0.547 56.291 55.803 -0.097 0.000 1.032 66 Q CB 0.376 29.021 28.738 -0.154 0.000 1.137 66 Q HN 0.806 nan 8.270 nan 0.000 0.483 67 T N -3.758 110.844 114.554 0.079 0.000 3.113 67 T HA -0.071 4.279 4.350 -0.000 0.000 0.256 67 T C 1.303 176.083 174.700 0.133 0.000 1.131 67 T CA 0.778 63.001 62.100 0.206 0.000 1.074 67 T CB 0.164 69.128 68.868 0.160 0.000 0.944 67 T HN 0.034 nan 8.240 nan 0.000 0.516 68 D N 1.540 121.952 120.400 0.021 0.000 2.133 68 D HA -0.154 4.486 4.640 -0.000 0.000 0.195 68 D C 1.883 178.142 176.300 -0.069 0.000 0.997 68 D CA 1.095 55.087 54.000 -0.013 0.000 0.840 68 D CB -0.550 40.231 40.800 -0.031 0.000 0.947 68 D HN 0.348 nan 8.370 nan 0.000 0.452 69 L N -0.554 120.551 121.223 -0.197 0.000 2.081 69 L HA -0.137 4.203 4.340 -0.000 0.000 0.212 69 L C 1.822 178.473 176.870 -0.365 0.000 1.080 69 L CA 1.722 56.346 54.840 -0.360 0.000 0.754 69 L CB -0.708 40.982 42.059 -0.615 0.000 0.893 69 L HN 0.119 nan 8.230 nan 0.000 0.433 70 F N -0.370 119.576 119.950 -0.007 0.000 2.710 70 F HA 0.305 4.832 4.527 0.000 0.000 0.298 70 F C 1.848 177.646 175.800 -0.004 0.000 1.137 70 F CA 0.504 58.500 58.000 -0.006 0.000 1.444 70 F CB -0.112 38.882 39.000 -0.010 0.000 1.111 70 F HN 0.216 nan 8.300 nan 0.000 0.580 71 G N 1.087 109.963 108.800 0.126 0.000 2.135 71 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.183 71 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.183 71 G C -0.234 174.712 174.900 0.077 0.000 1.004 71 G CA -0.470 44.677 45.100 0.079 0.000 0.677 71 G HN 0.233 nan 8.290 nan 0.000 0.512 72 I N 0.406 121.034 120.570 0.096 0.000 2.474 72 I HA 0.531 4.701 4.170 -0.000 0.000 0.294 72 I C 0.135 176.285 176.117 0.054 0.000 1.005 72 I CA -0.760 60.584 61.300 0.073 0.000 1.113 72 I CB 2.124 40.175 38.000 0.084 0.000 1.289 72 I HN 0.156 nan 8.210 nan 0.000 0.436 73 Q N 5.098 124.920 119.800 0.037 0.000 2.316 73 Q HA 0.652 4.992 4.340 -0.000 0.000 0.264 73 Q C -1.787 174.228 176.000 0.024 0.000 0.987 73 Q CA -0.691 55.129 55.803 0.027 0.000 0.852 73 Q CB 2.091 30.841 28.738 0.019 0.000 1.287 73 Q HN 0.525 nan 8.270 nan 0.000 0.448 74 V N 4.018 123.945 119.914 0.022 0.000 2.417 74 V HA 0.315 4.435 4.120 -0.000 0.000 0.291 74 V C -0.750 175.353 176.094 0.015 0.000 1.024 74 V CA -0.793 61.518 62.300 0.019 0.000 0.861 74 V CB 1.754 33.590 31.823 0.022 0.000 0.985 74 V HN 0.792 nan 8.190 nan 0.000 0.436 75 D N 3.892 124.301 120.400 0.015 0.000 2.193 75 D HA 0.362 5.002 4.640 -0.000 0.000 0.244 75 D C 0.475 176.783 176.300 0.014 0.000 1.064 75 D CA -0.509 53.499 54.000 0.013 0.000 0.845 75 D CB 1.169 41.976 40.800 0.012 0.000 1.148 75 D HN 0.516 nan 8.370 nan 0.000 0.464 76 R N 1.878 122.386 120.500 0.014 0.000 2.974 76 R HA -0.202 4.138 4.340 -0.000 0.000 0.258 76 R C -0.701 175.609 176.300 0.017 0.000 0.892 76 R CA 0.048 56.157 56.100 0.015 0.000 0.664 76 R CB -1.451 28.858 30.300 0.014 0.000 1.478 76 R HN 0.517 nan 8.270 nan 0.000 0.498 77 I N 1.961 122.542 120.570 0.019 0.000 2.505 77 I HA -0.002 4.168 4.170 -0.000 0.000 0.287 77 I C 0.820 176.951 176.117 0.023 0.000 1.104 77 I CA 0.621 61.934 61.300 0.022 0.000 1.387 77 I CB 1.428 39.442 38.000 0.023 0.000 1.404 77 I HN 0.279 nan 8.210 nan 0.000 0.528 78 S N 5.914 121.627 115.700 0.022 0.000 2.552 78 S HA 0.498 4.968 4.470 -0.000 0.000 0.314 78 S C -0.544 174.069 174.600 0.022 0.000 1.099 78 S CA -0.672 57.541 58.200 0.021 0.000 1.070 78 S CB 1.095 64.306 63.200 0.018 0.000 0.998 78 S HN 0.280 nan 8.310 nan 0.000 0.474 79 V N 6.100 126.028 119.914 0.024 0.000 2.389 79 V HA 0.302 4.422 4.120 -0.000 0.000 0.264 79 V C 0.519 176.625 176.094 0.020 0.000 1.049 79 V CA -0.831 61.483 62.300 0.023 0.000 0.932 79 V CB 0.702 32.541 31.823 0.026 0.000 1.011 79 V HN 0.833 nan 8.190 nan 0.000 0.475 80 N N 4.531 123.242 118.700 0.018 0.000 2.482 80 N HA 0.152 4.892 4.740 -0.000 0.000 0.242 80 N C 1.320 176.841 175.510 0.018 0.000 1.100 80 N CA 0.539 53.599 53.050 0.017 0.000 0.946 80 N CB 1.538 40.034 38.487 0.014 0.000 1.227 80 N HN 0.704 nan 8.380 nan 0.000 0.508 81 G N 3.275 112.086 108.800 0.019 0.000 2.469 81 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.219 81 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.219 81 G C 1.436 176.348 174.900 0.019 0.000 1.150 81 G CA 0.778 45.890 45.100 0.020 0.000 0.763 81 G HN 0.557 nan 8.290 nan 0.000 0.561 82 K N 0.607 121.018 120.400 0.018 0.000 2.026 82 K HA 0.043 4.363 4.320 -0.000 0.000 0.208 82 K C 2.981 179.589 176.600 0.014 0.000 1.048 82 K CA 1.081 57.378 56.287 0.016 0.000 0.929 82 K CB -0.273 32.235 32.500 0.014 0.000 0.713 82 K HN 0.270 nan 8.250 nan 0.000 0.439 83 A N 1.526 124.353 122.820 0.013 0.000 1.877 83 A HA -0.071 4.249 4.320 -0.000 0.000 0.216 83 A C 1.464 179.057 177.584 0.014 0.000 1.186 83 A CA 0.964 53.008 52.037 0.011 0.000 0.620 83 A CB -0.663 18.343 19.000 0.010 0.000 0.822 83 A HN 0.056 nan 8.150 nan 0.000 0.443 87 R N 1.232 121.735 120.500 0.005 0.000 2.073 87 R HA 0.027 4.367 4.340 -0.000 0.000 0.234 87 R C 1.939 178.239 176.300 0.000 0.000 1.134 87 R CA 1.938 58.037 56.100 -0.001 0.000 0.952 87 R CB -0.396 29.905 30.300 0.003 0.000 0.850 87 R HN 0.322 nan 8.270 nan 0.000 0.433 88 I N 0.944 121.522 120.570 0.013 0.000 2.127 88 I HA -0.345 3.825 4.170 -0.000 0.000 0.241 88 I C 2.584 178.702 176.117 0.001 0.000 1.075 88 I CA 1.664 62.970 61.300 0.010 0.000 1.334 88 I CB -0.310 37.712 38.000 0.036 0.000 1.040 88 I HN 0.284 nan 8.210 nan 0.000 0.405 89 Q N 0.035 119.842 119.800 0.013 0.000 2.050 89 Q HA -0.215 4.125 4.340 -0.000 0.000 0.202 89 Q C 2.345 178.335 176.000 -0.017 0.000 0.980 89 Q CA 2.520 58.328 55.803 0.008 0.000 0.840 89 Q CB -0.367 28.382 28.738 0.019 0.000 0.898 89 Q HN 0.684 nan 8.270 nan 0.000 0.424 90 T N -0.689 113.847 114.554 -0.030 0.000 2.708 90 T HA -0.141 4.209 4.350 -0.000 0.000 0.266 90 T C 1.629 176.268 174.700 -0.101 0.000 1.037 90 T CA 1.077 63.141 62.100 -0.060 0.000 1.146 90 T CB -0.169 68.665 68.868 -0.057 0.000 0.865 90 T HN 0.112 nan 8.240 nan 0.000 0.435 91 E N 1.053 121.199 120.200 -0.090 0.000 2.077 91 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 91 E C 2.452 178.972 176.600 -0.133 0.000 0.989 91 E CA 0.756 57.059 56.400 -0.162 0.000 0.800 91 E CB -0.399 29.267 29.700 -0.055 0.000 0.746 91 E HN 0.431 nan 8.360 nan 0.000 0.452 92 R N 1.511 122.028 120.500 0.028 0.000 2.083 92 R HA -0.161 4.179 4.340 -0.000 0.000 0.237 92 R C 1.392 177.719 176.300 0.044 0.000 1.137 92 R CA 1.691 57.858 56.100 0.111 0.000 0.951 92 R CB -0.441 29.868 30.300 0.015 0.000 0.851 92 R HN 0.060 nan 8.270 nan 0.000 0.434 93 D N 0.288 120.666 120.400 -0.036 0.000 2.133 93 D HA -0.201 4.439 4.640 -0.000 0.000 0.195 93 D C 2.001 178.209 176.300 -0.153 0.000 0.997 93 D CA 1.255 55.211 54.000 -0.073 0.000 0.840 93 D CB -0.351 40.403 40.800 -0.078 0.000 0.947 93 D HN 0.308 nan 8.370 nan 0.000 0.452 94 R N -0.310 120.038 120.500 -0.253 0.000 2.083 94 R HA -0.158 4.182 4.340 -0.000 0.000 0.237 94 R C 2.237 178.268 176.300 -0.449 0.000 1.137 94 R CA 1.171 57.011 56.100 -0.435 0.000 0.951 94 R CB -0.347 29.657 30.300 -0.493 0.000 0.851 94 R HN 0.089 nan 8.270 nan 0.000 0.434 95 F N 0.173 120.090 119.950 -0.055 0.000 2.102 95 F HA -0.169 4.358 4.527 -0.000 0.000 0.298 95 F C 2.404 178.230 175.800 0.042 0.000 1.105 95 F CA 1.068 59.123 58.000 0.092 0.000 1.239 95 F CB -0.847 38.196 39.000 0.073 0.000 0.991 95 F HN -0.162 nan 8.300 nan 0.000 0.474 96 V N 0.176 120.181 119.914 0.151 0.000 2.332 96 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 96 V C 2.706 178.801 176.094 0.001 0.000 1.055 96 V CA 2.010 64.356 62.300 0.076 0.000 1.038 96 V CB -1.596 30.251 31.823 0.040 0.000 0.651 96 V HN 0.496 nan 8.190 nan 0.000 0.450 97 G N -0.727 107.998 108.800 -0.125 0.000 2.442 97 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.219 97 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.219 97 G C 1.514 176.300 174.900 -0.189 0.000 1.141 97 G CA 0.933 45.900 45.100 -0.220 0.000 0.763 97 G HN 0.512 nan 8.290 nan 0.000 0.554 98 F N 0.212 120.160 119.950 -0.002 0.000 2.171 98 F HA -0.076 4.451 4.527 -0.000 0.000 0.300 98 F C 2.811 178.598 175.800 -0.022 0.000 1.090 98 F CA 0.511 58.509 58.000 -0.003 0.000 1.293 98 F CB -0.195 38.829 39.000 0.041 0.000 1.013 98 F HN -0.013 nan 8.300 nan 0.000 0.486 99 V N -0.655 119.355 119.914 0.160 0.000 2.379 99 V HA -0.221 3.899 4.120 -0.000 0.000 0.245 99 V C 2.234 178.300 176.094 -0.046 0.000 1.044 99 V CA 1.273 63.613 62.300 0.066 0.000 1.036 99 V CB -0.570 31.304 31.823 0.085 0.000 0.664 99 V HN 0.148 nan 8.190 nan 0.000 0.453 100 V N 1.344 121.232 119.914 -0.043 0.000 2.392 100 V HA -0.310 3.810 4.120 -0.000 0.000 0.249 100 V C 2.525 178.515 176.094 -0.173 0.000 1.059 100 V CA 2.425 64.659 62.300 -0.111 0.000 1.051 100 V CB -0.964 30.827 31.823 -0.054 0.000 0.658 100 V HN 0.824 nan 8.190 nan 0.000 0.455 101 E N 0.441 120.574 120.200 -0.111 0.000 2.110 101 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 101 E C 2.162 178.641 176.600 -0.202 0.000 0.988 101 E CA 1.598 57.929 56.400 -0.116 0.000 0.804 101 E CB -0.554 29.128 29.700 -0.030 0.000 0.745 101 E HN 0.519 nan 8.360 nan 0.000 0.458 102 S N 0.915 116.482 115.700 -0.220 0.000 2.348 102 S HA -0.145 4.325 4.470 -0.000 0.000 0.221 102 S C 2.227 176.258 174.600 -0.949 0.000 1.033 102 S CA 1.252 59.215 58.200 -0.395 0.000 1.010 102 S CB -0.438 62.624 63.200 -0.231 0.000 0.891 102 S HN 0.136 nan 8.310 nan 0.000 0.442 103 V N 1.747 121.164 119.914 -0.829 0.000 2.324 103 V HA -0.221 3.899 4.120 -0.000 0.000 0.250 103 V C 2.464 178.086 176.094 -0.786 0.000 1.060 103 V CA 2.025 63.719 62.300 -1.011 0.000 1.042 103 V CB -0.740 30.608 31.823 -0.792 0.000 0.650 103 V HN 0.389 nan 8.190 nan 0.000 0.450 104 E N 0.578 120.473 120.200 -0.507 0.000 2.153 104 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 104 E C 2.298 178.759 176.600 -0.231 0.000 0.988 104 E CA 1.305 57.522 56.400 -0.305 0.000 0.811 104 E CB -0.229 29.349 29.700 -0.203 0.000 0.746 104 E HN 0.784 nan 8.360 nan 0.000 0.466 105 S N -0.456 115.071 115.700 -0.289 0.000 2.481 105 S HA -0.024 4.446 4.470 -0.000 0.000 0.231 105 S C 0.467 175.101 174.600 0.057 0.000 0.996 105 S CA -0.127 58.003 58.200 -0.116 0.000 0.942 105 S CB -0.284 62.860 63.200 -0.093 0.000 0.768 105 S HN -0.010 nan 8.310 nan 0.000 0.520 106 F N 3.308 123.238 119.950 -0.033 0.000 2.459 106 F HA 0.366 4.893 4.527 -0.000 0.000 0.346 106 F C 0.687 176.483 175.800 -0.005 0.000 1.128 106 F CA -2.021 55.981 58.000 0.004 0.000 1.268 106 F CB -0.337 38.588 39.000 -0.125 0.000 1.161 106 F HN 0.020 nan 8.300 nan 0.000 0.583 107 D N 2.385 122.934 120.400 0.248 0.000 2.583 107 D HA -0.062 4.578 4.640 -0.000 0.000 0.232 107 D C 1.297 177.654 176.300 0.095 0.000 1.128 107 D CA 0.317 54.399 54.000 0.136 0.000 0.859 107 D CB 0.547 41.423 40.800 0.126 0.000 1.169 107 D HN 0.394 nan 8.370 nan 0.000 0.481 108 E N 2.005 122.237 120.200 0.054 0.000 2.160 108 E HA -0.232 4.118 4.350 -0.000 0.000 0.195 108 E C 1.789 178.408 176.600 0.032 0.000 0.991 108 E CA 0.911 57.329 56.400 0.030 0.000 0.810 108 E CB -0.092 29.617 29.700 0.015 0.000 0.742 108 E HN 0.711 nan 8.360 nan 0.000 0.466 109 Q N 0.331 120.154 119.800 0.039 0.000 2.488 109 Q HA -0.088 4.252 4.340 -0.000 0.000 0.211 109 Q C 0.444 176.472 176.000 0.046 0.000 0.967 109 Q CA 1.049 56.874 55.803 0.037 0.000 0.926 109 Q CB 0.119 28.878 28.738 0.035 0.000 0.992 109 Q HN -0.014 nan 8.270 nan 0.000 0.506 110 D N 0.696 121.129 120.400 0.054 0.000 2.349 110 D HA 0.131 4.771 4.640 -0.000 0.000 0.214 110 D C -0.494 175.795 176.300 -0.019 0.000 1.063 110 D CA 0.387 54.418 54.000 0.052 0.000 0.847 110 D CB 0.448 41.323 40.800 0.126 0.000 0.933 110 D HN 0.229 nan 8.370 nan 0.000 0.513 111 K N 0.635 121.036 120.400 0.003 0.000 2.376 111 K HA 0.553 4.873 4.320 -0.000 0.000 0.257 111 K C -0.508 176.118 176.600 0.044 0.000 0.939 111 K CA -0.457 55.840 56.287 0.016 0.000 0.809 111 K CB 2.586 35.102 32.500 0.028 0.000 1.121 111 K HN -0.153 nan 8.250 nan 0.000 0.425 112 I N 2.417 123.017 120.570 0.050 0.000 2.465 112 I HA 0.368 4.538 4.170 -0.000 0.000 0.291 112 I C -0.292 175.853 176.117 0.047 0.000 1.014 112 I CA -1.005 60.329 61.300 0.057 0.000 1.093 112 I CB 1.875 39.915 38.000 0.067 0.000 1.267 112 I HN 0.344 nan 8.210 nan 0.000 0.431 113 R N 3.675 124.198 120.500 0.039 0.000 2.308 113 R HA 0.749 5.089 4.340 -0.000 0.000 0.305 113 R C -0.135 176.176 176.300 0.019 0.000 1.053 113 R CA 0.280 56.365 56.100 -0.026 0.000 0.957 113 R CB 1.131 31.405 30.300 -0.043 0.000 1.022 113 R HN 0.940 nan 8.270 nan 0.000 0.461 114 G N 2.248 110.960 108.800 -0.147 0.000 2.351 114 G HA2 0.006 3.966 3.960 -0.000 0.000 0.353 114 G HA3 0.006 3.966 3.960 -0.000 0.000 0.353 114 G C -1.513 173.194 174.900 -0.322 0.000 1.358 114 G CA -1.098 43.898 45.100 -0.175 0.000 0.995 114 G HN 0.342 nan 8.290 nan 0.000 0.611 115 F N 1.343 121.268 119.950 -0.042 0.000 2.411 115 F HA 0.619 5.146 4.527 0.000 0.000 0.355 115 F C 1.092 176.847 175.800 -0.075 0.000 1.117 115 F CA 0.342 58.311 58.000 -0.051 0.000 1.139 115 F CB 1.774 40.750 39.000 -0.040 0.000 1.120 115 F HN 0.740 nan 8.300 nan 0.000 0.493 116 A N 5.028 127.901 122.820 0.087 0.000 2.304 116 A HA 0.719 5.039 4.320 -0.000 0.000 0.301 116 A C -0.464 177.113 177.584 -0.012 0.000 1.132 116 A CA -0.623 51.401 52.037 -0.022 0.000 0.819 116 A CB 0.774 19.716 19.000 -0.097 0.000 1.094 116 A HN 0.811 nan 8.150 nan 0.000 0.492 117 K N 1.099 121.462 120.400 -0.061 0.000 2.508 117 K HA 0.594 4.914 4.320 -0.000 0.000 0.260 117 K C -1.734 174.827 176.600 -0.066 0.000 0.949 117 K CA -0.649 55.635 56.287 -0.005 0.000 0.834 117 K CB 1.167 33.696 32.500 0.047 0.000 1.365 117 K HN 0.343 nan 8.250 nan 0.000 0.437 118 F N 2.424 122.375 119.950 0.001 0.000 2.456 118 F HA 0.179 4.706 4.527 -0.000 0.000 0.358 118 F C 1.341 177.140 175.800 -0.001 0.000 1.095 118 F CA -0.400 57.600 58.000 -0.001 0.000 1.216 118 F CB 0.746 39.739 39.000 -0.012 0.000 1.125 118 F HN 0.378 nan 8.300 nan 0.000 0.549 119 L N 1.078 122.391 121.223 0.151 0.000 2.286 119 L HA 0.096 4.436 4.340 -0.000 0.000 0.203 119 L C 0.114 177.054 176.870 0.117 0.000 1.068 119 L CA 0.374 55.277 54.840 0.104 0.000 0.811 119 L CB -0.138 41.956 42.059 0.059 0.000 0.989 119 L HN 0.661 nan 8.230 nan 0.000 0.467 120 D N -2.790 117.701 120.400 0.151 0.000 2.895 120 D HA 0.058 4.698 4.640 -0.000 0.000 0.320 120 D C 0.231 176.649 176.300 0.197 0.000 1.249 120 D CA -0.668 53.415 54.000 0.138 0.000 0.997 120 D CB 0.317 41.181 40.800 0.108 0.000 1.430 120 D HN -0.129 nan 8.370 nan 0.000 0.558 121 E N -1.442 118.826 120.200 0.113 0.000 2.409 121 E HA -0.102 4.248 4.350 -0.000 0.000 0.198 121 E C 0.422 177.028 176.600 0.009 0.000 1.024 121 E CA 0.743 57.176 56.400 0.055 0.000 0.861 121 E CB -0.060 29.613 29.700 -0.045 0.000 0.788 121 E HN 0.368 nan 8.360 nan 0.000 0.521 122 H N -0.850 118.349 119.070 0.216 0.000 3.058 122 H HA 0.211 4.767 4.556 -0.000 0.000 0.266 122 H C -0.225 175.141 175.328 0.064 0.000 1.135 122 H CA 0.242 56.359 56.048 0.115 0.000 1.174 122 H CB 1.162 30.926 29.762 0.003 0.000 1.581 122 H HN -0.085 nan 8.280 nan 0.000 0.553 123 T N 2.614 117.262 114.554 0.156 0.000 2.881 123 T HA 0.354 4.704 4.350 -0.000 0.000 0.291 123 T C -0.497 174.198 174.700 -0.008 0.000 0.990 123 T CA -0.596 61.545 62.100 0.069 0.000 0.976 123 T CB 1.998 70.909 68.868 0.072 0.000 0.970 123 T HN -0.108 nan 8.240 nan 0.000 0.438 124 L N 2.889 124.057 121.223 -0.092 0.000 2.325 124 L HA 0.567 4.907 4.340 -0.000 0.000 0.278 124 L C 0.163 176.972 176.870 -0.103 0.000 1.023 124 L CA -0.613 54.117 54.840 -0.183 0.000 0.811 124 L CB 1.631 43.529 42.059 -0.268 0.000 1.249 124 L HN 0.678 nan 8.230 nan 0.000 0.431 125 Q N 1.299 121.043 119.800 -0.094 0.000 2.293 125 Q HA 0.595 4.935 4.340 -0.000 0.000 0.261 125 Q C -1.422 174.510 176.000 -0.114 0.000 0.960 125 Q CA -0.421 55.331 55.803 -0.085 0.000 0.882 125 Q CB 2.314 31.018 28.738 -0.057 0.000 1.275 125 Q HN 0.486 nan 8.270 nan 0.000 0.445 126 V N 5.450 125.260 119.914 -0.172 0.000 2.357 126 V HA 0.292 4.412 4.120 -0.000 0.000 0.284 126 V C -0.513 175.319 176.094 -0.437 0.000 1.018 126 V CA -0.049 62.111 62.300 -0.233 0.000 0.841 126 V CB 0.921 32.632 31.823 -0.186 0.000 0.991 126 V HN 1.101 nan 8.190 nan 0.000 0.437 127 D N 4.757 125.021 120.400 -0.227 0.000 3.424 127 D HA -0.284 4.356 4.640 -0.000 0.000 0.162 127 D C 0.488 176.687 176.300 -0.168 0.000 1.055 127 D CA 2.299 56.204 54.000 -0.157 0.000 1.016 127 D CB -0.296 40.434 40.800 -0.116 0.000 0.500 127 D HN 1.060 nan 8.370 nan 0.000 0.501 128 D N -1.182 119.146 120.400 -0.121 0.000 2.559 128 D HA 0.228 4.868 4.640 -0.000 0.000 0.234 128 D C 0.829 177.122 176.300 -0.011 0.000 1.226 128 D CA 0.062 54.030 54.000 -0.053 0.000 0.830 128 D CB -0.257 40.547 40.800 0.007 0.000 1.028 128 D HN 0.644 nan 8.370 nan 0.000 0.492 129 H N -3.089 115.986 119.070 0.008 0.000 3.205 129 H HA 0.447 5.003 4.556 -0.000 0.000 0.252 129 H C -0.369 174.959 175.328 0.001 0.000 1.015 129 H CA -0.308 55.742 56.048 0.003 0.000 1.192 129 H CB 0.463 30.226 29.762 0.001 0.000 1.474 129 H HN -0.047 nan 8.280 nan 0.000 0.484 130 S N 0.389 116.051 115.700 -0.065 0.000 2.546 130 S HA 0.432 4.902 4.470 -0.000 0.000 0.274 130 S C -1.215 173.360 174.600 -0.040 0.000 1.121 130 S CA -0.965 57.259 58.200 0.040 0.000 0.887 130 S CB 2.747 66.040 63.200 0.154 0.000 1.094 130 S HN 0.369 nan 8.310 nan 0.000 0.474 131 Q N 1.229 121.025 119.800 -0.006 0.000 2.337 131 Q HA 0.659 4.999 4.340 -0.000 0.000 0.266 131 Q C -1.364 174.632 176.000 -0.007 0.000 1.023 131 Q CA -0.755 55.038 55.803 -0.017 0.000 0.829 131 Q CB 2.281 31.015 28.738 -0.007 0.000 1.306 131 Q HN 0.442 nan 8.270 nan 0.000 0.449 132 V N 3.989 123.892 119.914 -0.020 0.000 2.409 132 V HA 0.416 4.536 4.120 -0.000 0.000 0.291 132 V C -0.381 175.712 176.094 -0.002 0.000 1.020 132 V CA -0.697 61.596 62.300 -0.011 0.000 0.848 132 V CB 1.486 33.295 31.823 -0.023 0.000 0.990 132 V HN 0.702 nan 8.190 nan 0.000 0.430 133 I N 4.650 125.227 120.570 0.012 0.000 2.312 133 I HA 0.837 5.007 4.170 -0.000 0.000 0.290 133 I C 0.036 176.171 176.117 0.030 0.000 1.008 133 I CA -0.171 61.146 61.300 0.028 0.000 1.226 133 I CB 0.962 38.974 38.000 0.019 0.000 1.371 133 I HN 0.673 nan 8.210 nan 0.000 0.468 134 A N 6.874 129.736 122.820 0.070 0.000 2.343 134 A HA 0.459 4.779 4.320 -0.000 0.000 0.308 134 A C 0.500 178.158 177.584 0.122 0.000 1.092 134 A CA -0.794 51.287 52.037 0.073 0.000 0.751 134 A CB 1.370 20.412 19.000 0.071 0.000 1.203 134 A HN 0.878 nan 8.150 nan 0.000 0.452 135 K N 0.428 120.849 120.400 0.035 0.000 2.097 135 K HA -0.075 4.245 4.320 -0.000 0.000 0.206 135 K C 0.109 176.696 176.600 -0.022 0.000 1.049 135 K CA 1.206 57.475 56.287 -0.030 0.000 0.933 135 K CB -0.034 32.430 32.500 -0.061 0.000 0.717 135 K HN 0.617 nan 8.250 nan 0.000 0.442 136 R N -0.281 120.250 120.500 0.051 0.000 2.725 136 R HA 0.493 4.833 4.340 -0.000 0.000 0.277 136 R C -1.088 175.332 176.300 0.200 0.000 0.987 136 R CA -0.364 55.819 56.100 0.138 0.000 0.901 136 R CB 1.765 32.126 30.300 0.101 0.000 1.207 136 R HN -0.062 nan 8.270 nan 0.000 0.463 137 I N 1.396 122.142 120.570 0.293 0.000 2.582 137 I HA 0.468 4.638 4.170 -0.000 0.000 0.292 137 I C -0.919 175.378 176.117 0.300 0.000 1.066 137 I CA -1.127 60.315 61.300 0.236 0.000 1.053 137 I CB 2.457 40.597 38.000 0.233 0.000 1.241 137 I HN 0.161 nan 8.210 nan 0.000 0.421 138 V N 6.732 126.766 119.914 0.200 0.000 2.378 138 V HA 0.416 4.536 4.120 -0.000 0.000 0.288 138 V C 0.003 176.185 176.094 0.146 0.000 1.016 138 V CA -0.500 61.915 62.300 0.192 0.000 0.840 138 V CB 1.653 33.529 31.823 0.089 0.000 0.994 138 V HN 0.457 nan 8.190 nan 0.000 0.431 139 I N 4.413 125.079 120.570 0.161 0.000 2.363 139 I HA 0.468 4.638 4.170 -0.000 0.000 0.292 139 I C 0.762 176.919 176.117 0.067 0.000 1.075 139 I CA 0.310 61.685 61.300 0.126 0.000 1.333 139 I CB 1.102 39.184 38.000 0.137 0.000 1.415 139 I HN 0.711 nan 8.210 nan 0.000 0.502 140 A N 3.903 126.758 122.820 0.058 0.000 3.129 140 A HA 0.284 4.604 4.320 -0.000 0.000 0.282 140 A C 0.856 178.466 177.584 0.043 0.000 0.948 140 A CA -0.382 51.679 52.037 0.040 0.000 1.027 140 A CB -0.360 18.667 19.000 0.045 0.000 1.123 140 A HN 0.716 nan 8.150 nan 0.000 0.485 141 T N -2.897 111.682 114.554 0.043 0.000 3.107 141 T HA 0.460 4.810 4.350 -0.000 0.000 0.249 141 T C 1.252 175.978 174.700 0.044 0.000 1.096 141 T CA 0.761 62.894 62.100 0.054 0.000 1.012 141 T CB -0.181 68.727 68.868 0.067 0.000 0.977 141 T HN 1.952 nan 8.240 nan 0.000 0.527 142 G N 1.956 110.774 108.800 0.029 0.000 2.601 142 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.252 142 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.252 142 G C -0.120 174.791 174.900 0.019 0.000 1.294 142 G CA -0.171 44.944 45.100 0.025 0.000 0.912 142 G HN 1.482 nan 8.290 nan 0.000 0.574 143 S N -0.943 114.771 115.700 0.023 0.000 2.634 143 S HA 0.886 5.356 4.470 -0.000 0.000 0.296 143 S C -0.190 174.424 174.600 0.024 0.000 1.104 143 S CA 0.145 58.355 58.200 0.018 0.000 0.920 143 S CB 2.364 65.575 63.200 0.019 0.000 1.111 143 S HN 1.542 nan 8.310 nan 0.000 0.493 144 R N -0.619 119.889 120.500 0.013 0.000 2.888 144 R HA 0.754 5.094 4.340 -0.000 0.000 0.266 144 R C -3.167 173.140 176.300 0.013 0.000 1.020 144 R CA -2.288 53.820 56.100 0.015 0.000 0.963 144 R CB 0.836 31.135 30.300 -0.001 0.000 1.197 144 R HN 0.369 nan 8.270 nan 0.000 0.481 145 P HA 0.142 nan 4.420 nan 0.000 0.272 145 P C -1.236 176.062 177.300 -0.004 0.000 1.230 145 P CA -0.200 62.929 63.100 0.049 0.000 0.788 145 P CB 0.605 32.360 31.700 0.092 0.000 0.949 146 N N 0.144 118.836 118.700 -0.013 0.000 2.710 146 N HA 0.548 5.288 4.740 -0.000 0.000 0.257 146 N C -1.870 173.574 175.510 -0.111 0.000 1.327 146 N CA -0.549 52.367 53.050 -0.223 0.000 0.861 146 N CB 1.195 39.579 38.487 -0.171 0.000 1.532 146 N HN 0.446 nan 8.380 nan 0.000 0.499 147 Y N -1.388 118.866 120.300 -0.076 0.000 2.592 147 Y HA 0.663 5.213 4.550 -0.000 0.000 0.334 147 Y C -2.755 173.058 175.900 -0.146 0.000 1.136 147 Y CA -1.844 56.179 58.100 -0.127 0.000 1.042 147 Y CB -0.059 38.281 38.460 -0.200 0.000 1.325 147 Y HN 0.310 nan 8.280 nan 0.000 0.457 148 P HA 0.073 nan 4.420 nan 0.000 0.271 148 P C 0.287 177.559 177.300 -0.045 0.000 1.233 148 P CA -0.017 63.074 63.100 -0.015 0.000 0.789 148 P CB 1.454 33.205 31.700 0.085 0.000 0.951 149 E N 0.931 121.145 120.200 0.025 0.000 2.085 149 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 149 E C 1.675 178.285 176.600 0.015 0.000 0.994 149 E CA 1.602 58.026 56.400 0.040 0.000 0.801 149 E CB -1.028 28.710 29.700 0.063 0.000 0.743 149 E HN 0.580 nan 8.360 nan 0.000 0.453 150 F N -0.594 119.348 119.950 -0.013 0.000 2.202 150 F HA -0.115 4.412 4.527 -0.000 0.000 0.301 150 F C 1.730 177.459 175.800 -0.118 0.000 1.082 150 F CA 0.650 58.613 58.000 -0.061 0.000 1.313 150 F CB -0.617 38.336 39.000 -0.078 0.000 1.024 150 F HN 0.051 nan 8.300 nan 0.000 0.495 151 L N 1.158 121.810 121.223 -0.951 0.000 2.291 151 L HA 0.171 4.511 4.340 -0.000 0.000 0.214 151 L C 2.540 179.123 176.870 -0.478 0.000 1.120 151 L CA 1.139 55.460 54.840 -0.864 0.000 0.799 151 L CB -1.570 39.883 42.059 -1.011 0.000 0.925 151 L HN 0.347 nan 8.230 nan 0.000 0.446 152 A N -0.791 121.890 122.820 -0.233 0.000 2.019 152 A HA -0.084 4.236 4.320 -0.000 0.000 0.219 152 A C 2.360 179.889 177.584 -0.091 0.000 1.164 152 A CA 1.319 53.302 52.037 -0.090 0.000 0.644 152 A CB -0.632 18.418 19.000 0.084 0.000 0.805 152 A HN 0.386 nan 8.150 nan 0.000 0.449 153 A N -0.454 122.318 122.820 -0.080 0.000 2.172 153 A HA 0.313 4.633 4.320 -0.000 0.000 0.216 153 A C 2.145 179.695 177.584 -0.057 0.000 1.154 153 A CA 1.329 53.340 52.037 -0.042 0.000 0.701 153 A CB -0.618 18.379 19.000 -0.004 0.000 0.789 153 A HN 0.960 nan 8.150 nan 0.000 0.465 154 A N -1.095 121.659 122.820 -0.110 0.000 2.168 154 A HA 0.389 4.709 4.320 -0.000 0.000 0.215 154 A C 1.952 179.494 177.584 -0.070 0.000 1.152 154 A CA 1.427 53.409 52.037 -0.091 0.000 0.716 154 A CB -1.105 17.815 19.000 -0.133 0.000 0.794 154 A HN 1.809 nan 8.150 nan 0.000 0.465 155 G N 0.029 108.784 108.800 -0.075 0.000 2.622 155 G HA2 -0.420 3.540 3.960 -0.000 0.000 0.307 155 G HA3 -0.420 3.540 3.960 -0.000 0.000 0.307 155 G C 1.357 176.240 174.900 -0.028 0.000 1.226 155 G CA 1.801 46.876 45.100 -0.042 0.000 0.997 155 G HN 1.568 nan 8.290 nan 0.000 0.551 156 S N 0.169 115.865 115.700 -0.005 0.000 2.603 156 S HA 0.147 4.617 4.470 -0.000 0.000 0.229 156 S C 1.734 176.374 174.600 0.067 0.000 0.972 156 S CA 1.361 59.575 58.200 0.022 0.000 0.935 156 S CB 0.074 63.288 63.200 0.022 0.000 0.769 156 S HN 0.655 nan 8.310 nan 0.000 0.536 157 R N 0.064 120.592 120.500 0.047 0.000 2.427 157 R HA 0.375 4.715 4.340 -0.000 0.000 0.262 157 R C -0.629 175.779 176.300 0.180 0.000 0.943 157 R CA -0.312 55.866 56.100 0.131 0.000 1.081 157 R CB 0.129 30.392 30.300 -0.061 0.000 1.166 157 R HN 0.309 nan 8.270 nan 0.000 0.534 158 L N 1.915 123.157 121.223 0.032 0.000 2.281 158 L HA 0.261 4.601 4.340 -0.000 0.000 0.285 158 L C -0.889 175.940 176.870 -0.069 0.000 1.074 158 L CA -0.264 54.526 54.840 -0.082 0.000 0.817 158 L CB 0.568 42.480 42.059 -0.246 0.000 1.168 158 L HN -0.124 nan 8.230 nan 0.000 0.434 159 L N 4.378 125.548 121.223 -0.088 0.000 2.344 159 L HA 0.733 5.073 4.340 -0.000 0.000 0.272 159 L C 0.541 177.331 176.870 -0.133 0.000 1.035 159 L CA -0.126 54.627 54.840 -0.145 0.000 0.807 159 L CB 1.735 43.655 42.059 -0.232 0.000 1.237 159 L HN 0.845 nan 8.230 nan 0.000 0.442 160 T N -2.089 112.394 114.554 -0.119 0.000 2.742 160 T HA 0.286 4.636 4.350 -0.000 0.000 0.282 160 T C 0.911 175.532 174.700 -0.131 0.000 1.025 160 T CA -0.438 61.616 62.100 -0.077 0.000 1.020 160 T CB 0.937 69.808 68.868 0.005 0.000 1.317 160 T HN 0.576 nan 8.240 nan 0.000 0.538 161 N N 0.357 119.013 118.700 -0.073 0.000 2.443 161 N HA -0.149 4.591 4.740 -0.000 0.000 0.184 161 N C 0.520 176.058 175.510 0.046 0.000 1.037 161 N CA 1.184 54.209 53.050 -0.043 0.000 0.896 161 N CB -0.599 37.967 38.487 0.132 0.000 0.959 161 N HN 0.559 nan 8.380 nan 0.000 0.442 162 D N 0.641 121.058 120.400 0.028 0.000 2.312 162 D HA -0.075 4.565 4.640 -0.000 0.000 0.211 162 D C 0.989 177.301 176.300 0.022 0.000 0.964 162 D CA 0.835 54.865 54.000 0.050 0.000 0.877 162 D CB -0.012 40.813 40.800 0.043 0.000 0.924 162 D HN 0.669 nan 8.370 nan 0.000 0.515 163 N N -0.684 117.984 118.700 -0.052 0.000 2.166 163 N HA -0.049 4.691 4.740 -0.000 0.000 0.222 163 N C 1.445 176.849 175.510 -0.175 0.000 1.282 163 N CA -0.190 52.813 53.050 -0.079 0.000 0.890 163 N CB -0.433 38.010 38.487 -0.073 0.000 1.114 163 N HN 0.001 nan 8.380 nan 0.000 0.494 164 L N 0.321 121.347 121.223 -0.329 0.000 2.043 164 L HA 0.119 4.459 4.340 -0.000 0.000 0.212 164 L C 0.977 177.585 176.870 -0.436 0.000 1.075 164 L CA 1.769 56.298 54.840 -0.519 0.000 0.752 164 L CB -0.759 40.805 42.059 -0.826 0.000 0.891 164 L HN 0.074 nan 8.230 nan 0.000 0.432 165 F N -0.512 119.402 119.950 -0.061 0.000 2.797 165 F HA 0.113 4.640 4.527 0.000 0.000 0.302 165 F C 1.936 177.714 175.800 -0.036 0.000 1.130 165 F CA 0.125 58.099 58.000 -0.043 0.000 1.387 165 F CB -0.374 38.612 39.000 -0.024 0.000 1.107 165 F HN 0.156 nan 8.300 nan 0.000 0.577 166 E N 0.325 120.567 120.200 0.070 0.000 2.472 166 E HA 0.148 4.498 4.350 -0.000 0.000 0.196 166 E C 0.757 177.357 176.600 -0.000 0.000 1.033 166 E CA 0.061 56.484 56.400 0.039 0.000 0.886 166 E CB -0.084 29.632 29.700 0.027 0.000 0.944 166 E HN 0.315 nan 8.360 nan 0.000 0.492 167 L N 3.101 124.299 121.223 -0.043 0.000 2.514 167 L HA -0.019 4.321 4.340 -0.000 0.000 0.280 167 L C 1.859 178.724 176.870 -0.009 0.000 1.223 167 L CA 0.030 54.839 54.840 -0.052 0.000 0.864 167 L CB 0.230 42.218 42.059 -0.118 0.000 1.118 167 L HN 0.086 nan 8.230 nan 0.000 0.494 168 N N 1.008 119.711 118.700 0.005 0.000 2.409 168 N HA -0.085 4.655 4.740 -0.000 0.000 0.179 168 N C -0.019 175.502 175.510 0.017 0.000 1.032 168 N CA 0.667 53.726 53.050 0.014 0.000 0.898 168 N CB 0.402 38.900 38.487 0.018 0.000 0.971 168 N HN 0.691 nan 8.380 nan 0.000 0.441 169 D N -0.287 120.124 120.400 0.018 0.000 2.570 169 D HA 0.314 4.954 4.640 -0.000 0.000 0.244 169 D C -1.181 175.129 176.300 0.017 0.000 1.178 169 D CA -0.656 53.358 54.000 0.023 0.000 0.881 169 D CB 1.618 42.439 40.800 0.035 0.000 1.453 169 D HN -0.160 nan 8.370 nan 0.000 0.447 170 L N 2.614 123.850 121.223 0.020 0.000 2.416 170 L HA 0.371 4.711 4.340 -0.000 0.000 0.272 170 L C -1.796 175.101 176.870 0.045 0.000 1.161 170 L CA -1.064 53.785 54.840 0.016 0.000 0.845 170 L CB 0.078 42.148 42.059 0.018 0.000 1.119 170 L HN 0.294 nan 8.230 nan 0.000 0.464 171 P HA 0.174 nan 4.420 nan 0.000 0.274 171 P C 0.079 177.444 177.300 0.108 0.000 1.237 171 P CA -0.442 62.747 63.100 0.149 0.000 0.793 171 P CB 0.631 32.465 31.700 0.222 0.000 0.977 172 K N -0.073 120.394 120.400 0.111 0.000 2.116 172 K HA 0.062 4.382 4.320 -0.000 0.000 0.203 172 K C 0.640 177.285 176.600 0.074 0.000 1.052 172 K CA 1.172 57.498 56.287 0.066 0.000 0.952 172 K CB -0.343 32.180 32.500 0.037 0.000 0.729 172 K HN 0.676 nan 8.250 nan 0.000 0.446 173 S N -0.826 114.950 115.700 0.127 0.000 2.542 173 S HA 0.505 4.975 4.470 -0.000 0.000 0.276 173 S C -0.874 173.914 174.600 0.313 0.000 1.148 173 S CA -1.040 57.269 58.200 0.182 0.000 0.886 173 S CB 2.011 65.263 63.200 0.085 0.000 1.109 173 S HN -0.175 nan 8.310 nan 0.000 0.458 174 V N 1.424 121.539 119.914 0.335 0.000 2.623 174 V HA 0.819 4.939 4.120 -0.000 0.000 0.304 174 V C 0.163 176.283 176.094 0.042 0.000 1.054 174 V CA -0.546 61.891 62.300 0.229 0.000 0.882 174 V CB 1.616 33.486 31.823 0.079 0.000 1.002 174 V HN 1.334 nan 8.190 nan 0.000 0.424 175 A N 4.681 127.315 122.820 -0.311 0.000 2.302 175 A HA 0.719 5.039 4.320 -0.000 0.000 0.295 175 A C -0.370 177.077 177.584 -0.228 0.000 1.235 175 A CA -0.302 51.360 52.037 -0.625 0.000 0.876 175 A CB 0.536 18.939 19.000 -0.995 0.000 1.133 175 A HN 0.734 nan 8.150 nan 0.000 0.533 176 V N 3.543 123.276 119.914 -0.301 0.000 2.394 176 V HA 0.415 4.535 4.120 -0.000 0.000 0.282 176 V C -0.676 175.248 176.094 -0.283 0.000 1.031 176 V CA -0.095 62.097 62.300 -0.179 0.000 0.881 176 V CB 0.606 32.313 31.823 -0.194 0.000 0.982 176 V HN 0.698 nan 8.190 nan 0.000 0.451 177 F N 2.286 122.270 119.950 0.057 0.000 2.458 177 F HA 0.790 5.317 4.527 -0.000 0.000 0.336 177 F C 0.694 176.545 175.800 0.086 0.000 1.114 177 F CA -0.251 57.826 58.000 0.128 0.000 0.987 177 F CB 2.094 41.160 39.000 0.111 0.000 1.130 177 F HN 0.745 nan 8.300 nan 0.000 0.458 178 G N 4.204 113.154 108.800 0.251 0.000 3.373 178 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.685 178 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.685 178 G C -2.783 172.169 174.900 0.086 0.000 1.166 178 G CA -1.104 44.098 45.100 0.169 0.000 1.063 178 G HN 0.445 nan 8.290 nan 0.000 0.481 179 P HA 0.252 nan 4.420 nan 0.000 0.254 179 P C 1.189 178.514 177.300 0.042 0.000 1.494 179 P CA 0.871 64.018 63.100 0.079 0.000 0.961 179 P CB 0.622 32.504 31.700 0.304 0.000 1.493 180 G N 0.073 108.897 108.800 0.039 0.000 2.543 180 G HA2 0.249 4.209 3.960 -0.000 0.000 0.267 180 G HA3 0.249 4.209 3.960 -0.000 0.000 0.267 180 G C 1.100 176.008 174.900 0.013 0.000 1.406 180 G CA -0.358 44.769 45.100 0.045 0.000 1.048 180 G HN -0.130 nan 8.290 nan 0.000 0.548 181 V N 0.138 120.074 119.914 0.037 0.000 2.231 181 V HA -0.212 3.908 4.120 -0.000 0.000 0.248 181 V C 2.824 178.935 176.094 0.028 0.000 1.054 181 V CA 1.960 64.285 62.300 0.042 0.000 1.015 181 V CB -0.772 31.090 31.823 0.065 0.000 0.638 181 V HN 0.541 nan 8.190 nan 0.000 0.444 182 I N 0.446 121.036 120.570 0.034 0.000 2.202 182 I HA -0.140 4.030 4.170 -0.000 0.000 0.242 182 I C 2.644 178.747 176.117 -0.024 0.000 1.091 182 I CA 1.692 63.011 61.300 0.032 0.000 1.368 182 I CB -1.005 37.024 38.000 0.049 0.000 1.058 182 I HN 0.422 nan 8.210 nan 0.000 0.410 183 G N 0.994 109.768 108.800 -0.043 0.000 2.440 183 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.218 183 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.218 183 G C 1.712 176.487 174.900 -0.208 0.000 1.154 183 G CA 0.659 45.699 45.100 -0.100 0.000 0.767 183 G HN 0.259 nan 8.290 nan 0.000 0.552 184 L N -0.290 120.788 121.223 -0.242 0.000 2.095 184 L HA 0.060 4.400 4.340 -0.000 0.000 0.204 184 L C 2.872 179.550 176.870 -0.321 0.000 1.080 184 L CA 0.821 55.424 54.840 -0.395 0.000 0.759 184 L CB -0.407 41.375 42.059 -0.462 0.000 0.914 184 L HN 0.246 nan 8.230 nan 0.000 0.439 185 E N 0.025 120.133 120.200 -0.154 0.000 2.070 185 E HA -0.255 4.095 4.350 -0.000 0.000 0.197 185 E C 2.078 178.604 176.600 -0.123 0.000 1.004 185 E CA 1.217 57.572 56.400 -0.074 0.000 0.805 185 E CB -0.040 29.687 29.700 0.044 0.000 0.744 185 E HN 0.227 nan 8.360 nan 0.000 0.451 186 L N -0.213 120.934 121.223 -0.127 0.000 2.209 186 L HA 0.025 4.365 4.340 -0.000 0.000 0.207 186 L C 2.297 179.031 176.870 -0.227 0.000 1.094 186 L CA 1.542 56.305 54.840 -0.127 0.000 0.790 186 L CB -1.102 40.899 42.059 -0.096 0.000 0.932 186 L HN 0.126 nan 8.230 nan 0.000 0.447 187 G N -1.413 107.193 108.800 -0.323 0.000 2.404 187 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.215 187 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.215 187 G C 1.497 175.984 174.900 -0.690 0.000 1.174 187 G CA 0.681 45.507 45.100 -0.456 0.000 0.780 187 G HN 0.414 nan 8.290 nan 0.000 0.537 188 Q N 0.176 119.470 119.800 -0.844 0.000 2.061 188 Q HA -0.062 4.278 4.340 -0.000 0.000 0.204 188 Q C 2.810 178.540 176.000 -0.451 0.000 0.984 188 Q CA 1.746 57.016 55.803 -0.888 0.000 0.846 188 Q CB -0.351 28.048 28.738 -0.565 0.000 0.902 188 Q HN 0.387 nan 8.270 nan 0.000 0.421 189 A N 0.791 123.439 122.820 -0.287 0.000 1.883 189 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 189 A C 2.079 179.575 177.584 -0.147 0.000 1.186 189 A CA 1.497 53.435 52.037 -0.164 0.000 0.624 189 A CB -0.863 18.086 19.000 -0.085 0.000 0.822 189 A HN 0.473 nan 8.150 nan 0.000 0.444 190 L N -0.557 120.565 121.223 -0.169 0.000 2.046 190 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 190 L C 2.976 179.775 176.870 -0.120 0.000 1.077 190 L CA 1.607 56.371 54.840 -0.125 0.000 0.747 190 L CB -0.426 41.554 42.059 -0.132 0.000 0.896 190 L HN 0.551 nan 8.230 nan 0.000 0.432 191 S N 0.027 115.603 115.700 -0.206 0.000 2.368 191 S HA -0.178 4.292 4.470 -0.000 0.000 0.225 191 S C 2.107 176.668 174.600 -0.065 0.000 1.030 191 S CA 1.081 59.191 58.200 -0.149 0.000 0.999 191 S CB -0.127 62.908 63.200 -0.275 0.000 0.844 191 S HN 0.331 nan 8.310 nan 0.000 0.459 192 R N 0.108 120.543 120.500 -0.108 0.000 2.193 192 R HA 0.113 4.453 4.340 -0.000 0.000 0.229 192 R C 1.465 177.790 176.300 0.041 0.000 1.110 192 R CA 1.002 57.096 56.100 -0.011 0.000 0.988 192 R CB -0.301 29.946 30.300 -0.089 0.000 0.871 192 R HN 0.415 nan 8.270 nan 0.000 0.458 193 L N -0.323 120.900 121.223 -0.000 0.000 2.653 193 L HA 0.213 4.553 4.340 -0.000 0.000 0.232 193 L C 0.896 177.780 176.870 0.024 0.000 1.169 193 L CA 0.131 54.980 54.840 0.014 0.000 0.951 193 L CB 0.579 42.637 42.059 -0.002 0.000 1.181 193 L HN 0.430 nan 8.230 nan 0.000 0.460 194 G N -0.410 108.410 108.800 0.034 0.000 2.176 194 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.253 194 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.253 194 G C 0.264 175.183 174.900 0.033 0.000 0.979 194 G CA 0.022 45.146 45.100 0.040 0.000 0.641 194 G HN 0.101 nan 8.290 nan 0.000 0.530 195 V N 1.936 121.862 119.914 0.020 0.000 2.555 195 V HA 0.369 4.489 4.120 -0.000 0.000 0.286 195 V C 1.283 177.400 176.094 0.038 0.000 1.044 195 V CA -0.302 62.014 62.300 0.027 0.000 1.026 195 V CB 1.350 33.179 31.823 0.010 0.000 0.981 195 V HN 0.314 nan 8.190 nan 0.000 0.480 196 I N 5.506 126.110 120.570 0.057 0.000 2.505 196 I HA 0.160 4.330 4.170 -0.000 0.000 0.287 196 I C -0.110 176.093 176.117 0.142 0.000 1.104 196 I CA 0.507 61.852 61.300 0.074 0.000 1.387 196 I CB 0.536 38.552 38.000 0.027 0.000 1.404 196 I HN 0.304 nan 8.210 nan 0.000 0.528 197 V N 7.256 127.243 119.914 0.122 0.000 2.769 197 V HA 0.499 4.619 4.120 -0.000 0.000 0.312 197 V C -0.137 176.026 176.094 0.116 0.000 1.061 197 V CA -0.876 61.480 62.300 0.094 0.000 0.931 197 V CB 2.223 33.999 31.823 -0.078 0.000 1.010 197 V HN 0.614 nan 8.190 nan 0.000 0.433 198 K N 2.300 122.690 120.400 -0.017 0.000 2.422 198 K HA 0.780 5.100 4.320 -0.000 0.000 0.251 198 K C -1.734 174.570 176.600 -0.494 0.000 0.933 198 K CA -0.751 55.396 56.287 -0.234 0.000 0.798 198 K CB 2.771 34.938 32.500 -0.555 0.000 1.238 198 K HN 0.392 nan 8.250 nan 0.000 0.428 199 V N 3.275 122.951 119.914 -0.397 0.000 2.448 199 V HA 0.504 4.624 4.120 -0.000 0.000 0.295 199 V C -1.115 174.730 176.094 -0.415 0.000 1.025 199 V CA -0.770 61.316 62.300 -0.356 0.000 0.859 199 V CB 0.693 32.438 31.823 -0.131 0.000 0.988 199 V HN 0.551 nan 8.190 nan 0.000 0.431 200 F N 2.430 122.294 119.950 -0.144 0.000 2.493 200 F HA 0.841 5.368 4.527 0.000 0.000 0.329 200 F C 0.707 176.564 175.800 0.095 0.000 1.126 200 F CA -0.422 57.547 58.000 -0.052 0.000 0.937 200 F CB 2.229 41.045 39.000 -0.306 0.000 1.146 200 F HN 0.628 nan 8.300 nan 0.000 0.442 201 G N 1.582 110.603 108.800 0.368 0.000 2.816 201 G HA2 0.629 4.589 3.960 -0.000 0.000 0.288 201 G HA3 0.629 4.589 3.960 -0.000 0.000 0.288 201 G C -0.184 174.874 174.900 0.263 0.000 1.334 201 G CA -0.926 44.365 45.100 0.318 0.000 0.978 201 G HN 0.710 nan 8.290 nan 0.000 0.493 202 R N -2.472 118.155 120.500 0.211 0.000 2.507 202 R HA 0.196 4.536 4.340 -0.000 0.000 0.230 202 R C 1.468 177.833 176.300 0.108 0.000 0.897 202 R CA 1.119 57.315 56.100 0.160 0.000 1.006 202 R CB 0.135 30.532 30.300 0.162 0.000 1.341 202 R HN 0.385 nan 8.270 nan 0.000 0.604 203 S N -0.566 115.197 115.700 0.105 0.000 2.556 203 S HA 0.352 4.822 4.470 -0.000 0.000 0.216 203 S C 1.393 176.028 174.600 0.057 0.000 0.970 203 S CA 0.008 58.253 58.200 0.075 0.000 0.912 203 S CB 0.875 64.121 63.200 0.077 0.000 0.790 203 S HN 0.668 nan 8.310 nan 0.000 0.504 204 G N 0.865 109.697 108.800 0.054 0.000 2.175 204 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.244 204 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.244 204 G C 0.174 175.106 174.900 0.053 0.000 0.982 204 G CA 0.034 45.150 45.100 0.027 0.000 0.641 204 G HN 0.574 nan 8.290 nan 0.000 0.527 205 S N -0.420 115.338 115.700 0.097 0.000 2.562 205 S HA 0.494 4.964 4.470 -0.000 0.000 0.281 205 S C 0.261 174.982 174.600 0.202 0.000 1.333 205 S CA 0.287 58.563 58.200 0.125 0.000 1.052 205 S CB 1.718 64.993 63.200 0.124 0.000 0.884 205 S HN 0.896 nan 8.310 nan 0.000 0.506 206 V N 3.085 123.112 119.914 0.188 0.000 2.488 206 V HA 0.637 4.757 4.120 -0.000 0.000 0.293 206 V C 0.505 176.704 176.094 0.174 0.000 1.027 206 V CA 0.009 62.468 62.300 0.265 0.000 0.862 206 V CB 0.253 32.235 31.823 0.265 0.000 1.008 206 V HN 1.260 nan 8.190 nan 0.000 0.428 207 A N 5.344 128.252 122.820 0.147 0.000 5.584 207 A HA -0.267 4.053 4.320 -0.000 0.000 0.303 207 A C 1.128 178.770 177.584 0.096 0.000 1.923 207 A CA 1.679 53.780 52.037 0.108 0.000 0.717 207 A CB -1.121 17.960 19.000 0.134 0.000 1.281 207 A HN 1.605 nan 8.150 nan 0.000 0.379 208 N N 0.345 119.097 118.700 0.086 0.000 2.251 208 N HA 0.326 5.066 4.740 -0.000 0.000 0.217 208 N C -0.006 175.548 175.510 0.074 0.000 1.124 208 N CA 0.263 53.357 53.050 0.074 0.000 0.843 208 N CB -0.524 38.001 38.487 0.063 0.000 1.024 208 N HN 0.649 nan 8.380 nan 0.000 0.501 209 L N 0.759 122.032 121.223 0.084 0.000 2.453 209 L HA 0.053 4.393 4.340 -0.000 0.000 0.272 209 L C 1.448 178.359 176.870 0.069 0.000 1.182 209 L CA 0.174 55.062 54.840 0.080 0.000 0.858 209 L CB 0.741 42.844 42.059 0.073 0.000 1.120 209 L HN 0.141 nan 8.230 nan 0.000 0.474 210 Q N 0.786 120.626 119.800 0.067 0.000 2.423 210 Q HA 0.026 4.366 4.340 -0.000 0.000 0.231 210 Q C -0.065 175.971 176.000 0.060 0.000 0.894 210 Q CA -0.027 55.806 55.803 0.051 0.000 0.938 210 Q CB 0.492 29.245 28.738 0.024 0.000 1.079 210 Q HN 0.678 nan 8.270 nan 0.000 0.552 211 D N 0.788 121.241 120.400 0.088 0.000 2.389 211 D HA -0.062 4.578 4.640 -0.000 0.000 0.247 211 D C 0.834 177.178 176.300 0.074 0.000 1.128 211 D CA 0.103 54.164 54.000 0.103 0.000 0.884 211 D CB 1.152 42.044 40.800 0.152 0.000 1.194 211 D HN -0.041 nan 8.370 nan 0.000 0.441 212 E N 2.952 123.190 120.200 0.064 0.000 2.072 212 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 212 E C 0.523 177.148 176.600 0.042 0.000 0.985 212 E CA 0.848 57.275 56.400 0.045 0.000 0.801 212 E CB -0.020 29.703 29.700 0.039 0.000 0.750 212 E HN 0.639 nan 8.360 nan 0.000 0.452 216 R N 0.812 121.300 120.500 -0.019 0.000 2.075 216 R HA -0.049 4.291 4.340 -0.000 0.000 0.232 216 R C 2.036 178.303 176.300 -0.056 0.000 1.126 216 R CA 1.513 57.587 56.100 -0.044 0.000 0.963 216 R CB -0.611 29.679 30.300 -0.016 0.000 0.858 216 R HN 0.285 nan 8.270 nan 0.000 0.435 217 Y N 1.525 121.756 120.300 -0.114 0.000 2.181 217 Y HA -0.239 4.311 4.550 -0.000 0.000 0.288 217 Y C 2.333 178.085 175.900 -0.247 0.000 1.146 217 Y CA 1.765 59.799 58.100 -0.110 0.000 1.164 217 Y CB -0.255 38.187 38.460 -0.029 0.000 0.982 217 Y HN 0.104 nan 8.280 nan 0.000 0.515 218 A N 0.014 122.605 122.820 -0.382 0.000 1.873 218 A HA -0.228 4.092 4.320 -0.000 0.000 0.215 218 A C 2.214 179.452 177.584 -0.577 0.000 1.186 218 A CA 1.788 53.205 52.037 -1.032 0.000 0.616 218 A CB -0.941 17.341 19.000 -1.197 0.000 0.823 218 A HN 0.639 nan 8.150 nan 0.000 0.442 219 E N -0.137 119.943 120.200 -0.201 0.000 2.085 219 E HA -0.257 4.093 4.350 -0.000 0.000 0.194 219 E C 2.108 178.613 176.600 -0.159 0.000 0.994 219 E CA 1.591 57.958 56.400 -0.055 0.000 0.801 219 E CB -0.142 29.393 29.700 -0.276 0.000 0.743 219 E HN 0.604 nan 8.360 nan 0.000 0.453 220 K N -0.290 119.961 120.400 -0.248 0.000 2.057 220 K HA -0.111 4.209 4.320 -0.000 0.000 0.206 220 K C 2.054 178.500 176.600 -0.258 0.000 1.050 220 K CA 1.718 57.856 56.287 -0.248 0.000 0.935 220 K CB -0.077 32.270 32.500 -0.255 0.000 0.715 220 K HN 0.109 nan 8.250 nan 0.000 0.439 221 T N 1.082 115.420 114.554 -0.360 0.000 2.684 221 T HA -0.130 4.220 4.350 -0.000 0.000 0.267 221 T C 1.568 176.183 174.700 -0.141 0.000 1.036 221 T CA 1.508 63.445 62.100 -0.272 0.000 1.148 221 T CB -0.358 68.390 68.868 -0.201 0.000 0.863 221 T HN 0.123 nan 8.240 nan 0.000 0.436 222 F N 2.129 122.032 119.950 -0.079 0.000 2.161 222 F HA -0.046 4.481 4.527 -0.000 0.000 0.300 222 F C 2.381 177.861 175.800 -0.534 0.000 1.089 222 F CA 0.317 58.143 58.000 -0.290 0.000 1.282 222 F CB -0.837 37.996 39.000 -0.278 0.000 1.010 222 F HN 0.185 nan 8.300 nan 0.000 0.485 223 N N 0.333 118.930 118.700 -0.173 0.000 2.512 223 N HA -0.121 4.619 4.740 -0.000 0.000 0.183 223 N C 1.431 176.865 175.510 -0.126 0.000 1.073 223 N CA 0.532 53.450 53.050 -0.219 0.000 0.911 223 N CB -0.196 38.163 38.487 -0.213 0.000 0.964 223 N HN 0.470 nan 8.380 nan 0.000 0.447 224 E N 0.360 120.509 120.200 -0.084 0.000 2.338 224 E HA -0.117 4.233 4.350 -0.000 0.000 0.197 224 E C 1.438 178.067 176.600 0.047 0.000 1.007 224 E CA 0.648 57.039 56.400 -0.014 0.000 0.849 224 E CB 0.246 29.945 29.700 -0.003 0.000 0.774 224 E HN 0.426 nan 8.360 nan 0.000 0.506 225 E N -0.778 119.439 120.200 0.029 0.000 2.354 225 E HA 0.067 4.417 4.350 -0.000 0.000 0.203 225 E C -0.217 176.527 176.600 0.241 0.000 0.841 225 E CA 0.056 56.552 56.400 0.160 0.000 1.046 225 E CB 0.647 30.485 29.700 0.230 0.000 1.040 225 E HN 0.098 nan 8.360 nan 0.000 0.504 226 F N -1.890 118.122 119.950 0.103 0.000 2.668 226 F HA 0.399 4.926 4.527 -0.000 0.000 0.309 226 F C -1.173 174.704 175.800 0.127 0.000 1.117 226 F CA -1.589 56.468 58.000 0.095 0.000 0.951 226 F CB 0.471 39.487 39.000 0.027 0.000 1.323 226 F HN -0.191 nan 8.300 nan 0.000 0.451 227 Y N 3.010 123.417 120.300 0.178 0.000 2.569 227 Y HA 0.376 4.926 4.550 -0.000 0.000 0.332 227 Y C -1.206 174.741 175.900 0.078 0.000 1.120 227 Y CA -0.095 58.035 58.100 0.050 0.000 1.416 227 Y CB 0.340 38.813 38.460 0.022 0.000 1.210 227 Y HN 0.615 nan 8.280 nan 0.000 0.528 228 F N 7.556 127.247 119.950 -0.432 0.000 2.745 228 F HA 0.289 4.816 4.527 -0.000 0.000 0.343 228 F C -1.808 173.764 175.800 -0.380 0.000 1.196 228 F CA -1.584 56.229 58.000 -0.311 0.000 1.021 228 F CB 0.779 39.631 39.000 -0.247 0.000 1.297 228 F HN 0.446 nan 8.300 nan 0.000 0.486 229 D N 4.643 124.865 120.400 -0.297 0.000 2.427 229 D HA 0.500 5.140 4.640 -0.000 0.000 0.226 229 D C 0.629 176.797 176.300 -0.220 0.000 1.076 229 D CA 0.102 53.910 54.000 -0.320 0.000 0.849 229 D CB 1.956 42.755 40.800 -0.000 0.000 1.052 229 D HN 0.653 nan 8.370 nan 0.000 0.515 230 A N 4.143 126.658 122.820 -0.508 0.000 2.119 230 A HA -0.017 4.303 4.320 -0.000 0.000 0.216 230 A C 1.123 178.694 177.584 -0.021 0.000 1.152 230 A CA 0.734 52.641 52.037 -0.218 0.000 0.708 230 A CB 0.114 18.911 19.000 -0.339 0.000 0.805 230 A HN 0.467 nan 8.150 nan 0.000 0.460 231 K N 0.417 120.799 120.400 -0.031 0.000 3.167 231 K HA 0.453 4.773 4.320 -0.000 0.000 0.208 231 K C -0.199 176.460 176.600 0.099 0.000 1.159 231 K CA -0.121 56.188 56.287 0.036 0.000 1.018 231 K CB 0.901 33.402 32.500 0.000 0.000 0.927 231 K HN 0.317 nan 8.250 nan 0.000 0.476 232 A N 1.667 124.596 122.820 0.182 0.000 2.477 232 A HA 0.155 4.475 4.320 -0.000 0.000 0.246 232 A C -0.098 177.612 177.584 0.209 0.000 1.078 232 A CA -0.100 52.107 52.037 0.283 0.000 0.770 232 A CB 0.210 19.505 19.000 0.491 0.000 1.011 232 A HN 0.485 nan 8.150 nan 0.000 0.494 233 R N 2.788 123.418 120.500 0.217 0.000 2.215 233 R HA 0.495 4.835 4.340 -0.000 0.000 0.337 233 R C -1.608 174.822 176.300 0.216 0.000 1.010 233 R CA -0.245 55.943 56.100 0.145 0.000 0.871 233 R CB 0.590 30.919 30.300 0.048 0.000 1.134 233 R HN 0.479 nan 8.270 nan 0.000 0.477 234 V N 6.934 126.882 119.914 0.057 0.000 2.398 234 V HA 0.203 4.323 4.120 -0.000 0.000 0.286 234 V C 1.104 177.101 176.094 -0.161 0.000 1.026 234 V CA -0.650 61.630 62.300 -0.033 0.000 0.868 234 V CB 1.631 33.392 31.823 -0.103 0.000 0.982 234 V HN 0.767 nan 8.190 nan 0.000 0.443 235 I N 2.722 123.267 120.570 -0.042 0.000 2.385 235 I HA 0.099 4.269 4.170 -0.000 0.000 0.244 235 I C 1.001 177.032 176.117 -0.143 0.000 1.089 235 I CA 1.126 62.390 61.300 -0.061 0.000 1.410 235 I CB -0.235 37.798 38.000 0.055 0.000 1.117 235 I HN 0.797 nan 8.210 nan 0.000 0.429 236 S N 0.016 115.683 115.700 -0.056 0.000 2.567 236 S HA 0.521 4.991 4.470 -0.000 0.000 0.270 236 S C -0.432 174.233 174.600 0.108 0.000 1.152 236 S CA -0.588 57.637 58.200 0.042 0.000 0.835 236 S CB 1.985 65.211 63.200 0.043 0.000 1.115 236 S HN 0.216 nan 8.310 nan 0.000 0.459 237 T N -0.323 114.316 114.554 0.142 0.000 3.077 237 T HA 0.607 4.957 4.350 -0.000 0.000 0.359 237 T C -0.710 174.010 174.700 0.034 0.000 1.108 237 T CA -0.393 61.753 62.100 0.076 0.000 1.170 237 T CB -0.555 68.294 68.868 -0.031 0.000 1.045 237 T HN 0.670 nan 8.240 nan 0.000 0.505 238 I N 1.972 122.569 120.570 0.045 0.000 2.389 238 I HA 0.344 4.514 4.170 -0.000 0.000 0.288 238 I C 0.513 176.641 176.117 0.018 0.000 0.999 238 I CA -0.924 60.390 61.300 0.024 0.000 1.129 238 I CB 1.915 39.932 38.000 0.028 0.000 1.288 238 I HN 0.619 nan 8.210 nan 0.000 0.444 239 E N 6.397 126.597 120.200 -0.000 0.000 2.558 239 E HA -0.013 4.337 4.350 -0.000 0.000 0.255 239 E C -0.468 176.129 176.600 -0.006 0.000 0.968 239 E CA 0.314 56.708 56.400 -0.009 0.000 0.939 239 E CB 0.609 30.297 29.700 -0.020 0.000 0.921 239 E HN 0.309 nan 8.360 nan 0.000 0.477 240 K N 2.355 122.749 120.400 -0.010 0.000 2.450 240 K HA 0.084 4.404 4.320 -0.000 0.000 0.248 240 K C 1.104 177.689 176.600 -0.024 0.000 1.056 240 K CA -0.215 56.065 56.287 -0.012 0.000 0.974 240 K CB 0.372 32.867 32.500 -0.008 0.000 1.334 240 K HN 0.664 nan 8.250 nan 0.000 0.516 241 E N 0.168 120.354 120.200 -0.023 0.000 2.150 241 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 241 E C -0.117 176.459 176.600 -0.041 0.000 0.985 241 E CA 1.531 57.914 56.400 -0.027 0.000 0.814 241 E CB 0.147 29.834 29.700 -0.021 0.000 0.752 241 E HN 0.310 nan 8.360 nan 0.000 0.466 242 D N -0.157 120.214 120.400 -0.049 0.000 2.514 242 D HA 0.370 5.010 4.640 -0.000 0.000 0.225 242 D C -0.041 176.201 176.300 -0.097 0.000 1.159 242 D CA 0.450 54.409 54.000 -0.068 0.000 0.823 242 D CB 1.558 42.327 40.800 -0.052 0.000 1.097 242 D HN 0.241 nan 8.370 nan 0.000 0.519 243 A N -0.165 122.609 122.820 -0.077 0.000 2.557 243 A HA 0.622 4.942 4.320 -0.000 0.000 0.292 243 A C -1.478 176.091 177.584 -0.026 0.000 1.139 243 A CA -0.473 51.525 52.037 -0.065 0.000 0.665 243 A CB 1.270 20.252 19.000 -0.030 0.000 1.285 243 A HN -0.135 nan 8.150 nan 0.000 0.433 244 V N 1.246 121.180 119.914 0.033 0.000 2.417 244 V HA 0.408 4.528 4.120 -0.000 0.000 0.291 244 V C 0.098 176.276 176.094 0.141 0.000 1.024 244 V CA -0.364 61.979 62.300 0.072 0.000 0.861 244 V CB 1.299 33.172 31.823 0.084 0.000 0.985 244 V HN 0.884 nan 8.190 nan 0.000 0.436 245 E N 3.807 124.070 120.200 0.105 0.000 2.223 245 E HA 0.429 4.779 4.350 -0.000 0.000 0.282 245 E C -1.201 175.499 176.600 0.167 0.000 1.046 245 E CA -0.341 56.136 56.400 0.128 0.000 0.857 245 E CB 1.317 31.059 29.700 0.071 0.000 1.055 245 E HN 0.507 nan 8.360 nan 0.000 0.409 246 V N 6.934 127.004 119.914 0.260 0.000 2.384 246 V HA 0.334 4.454 4.120 -0.000 0.000 0.287 246 V C 0.005 176.261 176.094 0.268 0.000 1.020 246 V CA -0.592 61.868 62.300 0.266 0.000 0.850 246 V CB 1.174 33.179 31.823 0.304 0.000 0.987 246 V HN 0.644 nan 8.190 nan 0.000 0.436 247 I N 7.047 127.715 120.570 0.163 0.000 2.330 247 I HA 0.567 4.737 4.170 -0.000 0.000 0.289 247 I C -0.599 175.579 176.117 0.101 0.000 1.001 247 I CA -0.474 60.869 61.300 0.073 0.000 1.193 247 I CB 0.971 38.963 38.000 -0.014 0.000 1.345 247 I HN 0.776 nan 8.210 nan 0.000 0.461 248 Y N 4.230 124.444 120.300 -0.142 0.000 2.655 248 Y HA 0.662 5.212 4.550 -0.000 0.000 0.336 248 Y C -1.841 173.955 175.900 -0.174 0.000 1.154 248 Y CA -1.927 56.117 58.100 -0.093 0.000 1.055 248 Y CB 0.869 39.240 38.460 -0.149 0.000 1.295 248 Y HN 0.202 nan 8.280 nan 0.000 0.465 249 F N 2.526 122.523 119.950 0.078 0.000 2.421 249 F HA 0.347 4.874 4.527 -0.000 0.000 0.337 249 F C 0.419 176.350 175.800 0.218 0.000 1.105 249 F CA -0.470 57.541 58.000 0.019 0.000 1.049 249 F CB 1.085 40.115 39.000 0.050 0.000 1.139 249 F HN 0.719 nan 8.300 nan 0.000 0.479 250 D N 1.961 122.509 120.400 0.247 0.000 2.425 250 D HA 0.094 4.734 4.640 -0.000 0.000 0.274 250 D C 0.613 177.125 176.300 0.354 0.000 1.242 250 D CA -0.333 53.930 54.000 0.438 0.000 1.060 250 D CB 0.466 41.466 40.800 0.334 0.000 1.112 250 D HN 0.407 nan 8.370 nan 0.000 0.561 251 K N -0.855 119.728 120.400 0.304 0.000 2.365 251 K HA 0.029 4.349 4.320 -0.000 0.000 0.199 251 K C 1.233 177.904 176.600 0.118 0.000 1.045 251 K CA 0.579 56.963 56.287 0.161 0.000 0.962 251 K CB -0.075 32.466 32.500 0.067 0.000 0.759 251 K HN 0.271 nan 8.250 nan 0.000 0.469 252 S N 0.149 115.929 115.700 0.134 0.000 2.597 252 S HA 0.163 4.633 4.470 -0.000 0.000 0.224 252 S C 1.102 175.770 174.600 0.114 0.000 0.955 252 S CA 0.229 58.488 58.200 0.098 0.000 0.933 252 S CB 0.689 63.939 63.200 0.084 0.000 0.788 252 S HN 0.516 nan 8.310 nan 0.000 0.488 253 G N 1.609 110.508 108.800 0.165 0.000 2.168 253 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.257 253 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.257 253 G C -0.046 175.043 174.900 0.315 0.000 0.997 253 G CA 0.109 45.346 45.100 0.229 0.000 0.708 253 G HN 0.497 nan 8.290 nan 0.000 0.520 254 Q N 0.367 120.276 119.800 0.182 0.000 2.295 254 Q HA 0.508 4.848 4.340 -0.000 0.000 0.259 254 Q C 0.625 176.539 176.000 -0.144 0.000 0.976 254 Q CA -0.313 55.523 55.803 0.055 0.000 0.923 254 Q CB 0.541 29.285 28.738 0.010 0.000 1.185 254 Q HN 0.391 nan 8.270 nan 0.000 0.410 255 K N 2.434 122.640 120.400 -0.324 0.000 2.451 255 K HA 0.142 4.462 4.320 -0.000 0.000 0.280 255 K C -0.968 175.300 176.600 -0.554 0.000 1.020 255 K CA 0.502 56.298 56.287 -0.818 0.000 1.008 255 K CB 0.321 32.392 32.500 -0.715 0.000 0.917 255 K HN 0.648 nan 8.250 nan 0.000 0.478 256 T N 2.805 116.941 114.554 -0.697 0.000 2.921 256 T HA 0.222 4.572 4.350 -0.000 0.000 0.297 256 T C -1.078 173.364 174.700 -0.431 0.000 1.013 256 T CA -0.766 60.977 62.100 -0.594 0.000 0.990 256 T CB 1.793 70.100 68.868 -0.936 0.000 1.023 256 T HN 0.466 nan 8.240 nan 0.000 0.447 257 T N 3.116 117.552 114.554 -0.197 0.000 2.771 257 T HA 0.619 4.969 4.350 -0.000 0.000 0.281 257 T C -0.590 174.133 174.700 0.039 0.000 0.982 257 T CA -0.676 61.396 62.100 -0.046 0.000 0.978 257 T CB 1.326 70.164 68.868 -0.050 0.000 0.930 257 T HN 0.662 nan 8.240 nan 0.000 0.447 258 E N 1.753 122.054 120.200 0.168 0.000 2.321 258 E HA 0.414 4.764 4.350 -0.000 0.000 0.281 258 E C -1.199 175.484 176.600 0.138 0.000 0.910 258 E CA -0.464 56.016 56.400 0.133 0.000 0.770 258 E CB 1.497 31.362 29.700 0.276 0.000 1.225 258 E HN 0.482 nan 8.360 nan 0.000 0.417 259 S N 2.911 118.577 115.700 -0.055 0.000 2.554 259 S HA 0.585 5.055 4.470 -0.000 0.000 0.278 259 S C -1.051 173.424 174.600 -0.209 0.000 1.242 259 S CA -0.316 57.880 58.200 -0.008 0.000 1.051 259 S CB 0.322 63.502 63.200 -0.034 0.000 0.986 259 S HN 0.321 nan 8.310 nan 0.000 0.502 260 F N 0.925 120.892 119.950 0.029 0.000 2.565 260 F HA 0.359 4.886 4.527 -0.000 0.000 0.313 260 F C 1.274 177.059 175.800 -0.025 0.000 1.091 260 F CA -0.716 57.301 58.000 0.028 0.000 0.915 260 F CB 1.785 40.830 39.000 0.075 0.000 1.208 260 F HN 0.552 nan 8.300 nan 0.000 0.453 261 Q N 1.494 121.364 119.800 0.117 0.000 2.124 261 Q HA -0.105 4.235 4.340 -0.000 0.000 0.202 261 Q C -0.853 174.956 176.000 -0.319 0.000 0.977 261 Q CA 1.783 57.519 55.803 -0.111 0.000 0.850 261 Q CB 0.231 28.930 28.738 -0.066 0.000 0.901 261 Q HN 0.647 nan 8.270 nan 0.000 0.429 262 Y N -1.884 118.490 120.300 0.123 0.000 2.615 262 Y HA 0.412 4.962 4.550 -0.000 0.000 0.341 262 Y C -0.701 175.236 175.900 0.060 0.000 1.089 262 Y CA -1.346 56.791 58.100 0.062 0.000 1.049 262 Y CB 1.776 40.244 38.460 0.013 0.000 1.296 262 Y HN -0.132 nan 8.280 nan 0.000 0.470 263 V N 0.812 120.845 119.914 0.200 0.000 2.667 263 V HA 0.801 4.921 4.120 -0.000 0.000 0.308 263 V C -1.508 174.623 176.094 0.061 0.000 1.048 263 V CA -0.927 61.445 62.300 0.120 0.000 0.928 263 V CB 1.763 33.640 31.823 0.089 0.000 1.004 263 V HN 0.616 nan 8.190 nan 0.000 0.444 264 L N 4.552 125.812 121.223 0.062 0.000 2.325 264 L HA 0.874 5.214 4.340 -0.000 0.000 0.281 264 L C 0.400 177.293 176.870 0.039 0.000 1.004 264 L CA -0.399 54.435 54.840 -0.011 0.000 0.823 264 L CB 1.213 43.236 42.059 -0.060 0.000 1.236 264 L HN 1.048 nan 8.230 nan 0.000 0.415 265 A N 4.866 127.666 122.820 -0.033 0.000 2.807 265 A HA 0.633 4.953 4.320 -0.000 0.000 0.307 265 A C 0.712 178.332 177.584 0.060 0.000 1.532 265 A CA 0.178 52.220 52.037 0.008 0.000 1.215 265 A CB -0.264 18.683 19.000 -0.089 0.000 1.127 265 A HN 1.010 nan 8.150 nan 0.000 0.543 266 A N 2.841 125.709 122.820 0.080 0.000 2.640 266 A HA 0.435 4.755 4.320 -0.000 0.000 0.282 266 A C 1.170 178.813 177.584 0.098 0.000 1.357 266 A CA 0.339 52.415 52.037 0.065 0.000 0.946 266 A CB -0.910 18.104 19.000 0.023 0.000 1.065 266 A HN 0.774 nan 8.150 nan 0.000 0.541 267 T N -2.515 112.115 114.554 0.126 0.000 2.732 267 T HA 0.460 4.810 4.350 -0.000 0.000 0.287 267 T C 0.941 175.697 174.700 0.093 0.000 0.993 267 T CA -0.059 62.118 62.100 0.129 0.000 0.966 267 T CB 0.411 69.364 68.868 0.141 0.000 1.047 267 T HN 0.633 nan 8.240 nan 0.000 0.527 268 G N 0.506 109.354 108.800 0.080 0.000 2.225 268 G HA2 0.254 4.214 3.960 -0.000 0.000 0.245 268 G HA3 0.254 4.214 3.960 -0.000 0.000 0.245 268 G C 0.082 175.003 174.900 0.035 0.000 1.249 268 G CA -0.526 44.607 45.100 0.056 0.000 0.919 268 G HN 0.680 nan 8.290 nan 0.000 0.486 269 R N 1.099 121.619 120.500 0.033 0.000 2.637 269 R HA 0.340 4.680 4.340 -0.000 0.000 0.269 269 R C 0.178 176.478 176.300 0.000 0.000 1.089 269 R CA -0.333 55.778 56.100 0.019 0.000 1.177 269 R CB 0.852 31.170 30.300 0.030 0.000 1.091 269 R HN 0.516 nan 8.270 nan 0.000 0.540 270 K N 0.621 121.011 120.400 -0.016 0.000 2.244 270 K HA 0.377 4.697 4.320 -0.000 0.000 0.260 270 K C -0.984 175.607 176.600 -0.014 0.000 0.951 270 K CA -0.443 55.830 56.287 -0.024 0.000 0.826 270 K CB 1.773 34.241 32.500 -0.053 0.000 1.108 270 K HN 0.689 nan 8.250 nan 0.000 0.433 271 A N 3.698 126.512 122.820 -0.011 0.000 2.477 271 A HA 0.098 4.418 4.320 -0.000 0.000 0.246 271 A C -0.227 177.351 177.584 -0.012 0.000 1.078 271 A CA -0.271 51.760 52.037 -0.010 0.000 0.770 271 A CB 0.036 19.027 19.000 -0.016 0.000 1.011 271 A HN 0.844 nan 8.150 nan 0.000 0.494 272 N N 2.262 120.961 118.700 -0.002 0.000 3.193 272 N HA 0.130 4.870 4.740 -0.000 0.000 0.312 272 N C 0.664 176.182 175.510 0.014 0.000 1.261 272 N CA 0.561 53.614 53.050 0.005 0.000 1.208 272 N CB 0.516 39.017 38.487 0.023 0.000 1.471 272 N HN 0.664 nan 8.380 nan 0.000 0.548 273 V N -2.420 117.495 119.914 0.000 0.000 3.330 273 V HA 0.178 4.298 4.120 -0.000 0.000 0.309 273 V C 0.877 176.968 176.094 -0.006 0.000 1.481 273 V CA -0.196 62.107 62.300 0.004 0.000 1.068 273 V CB 0.445 32.258 31.823 -0.016 0.000 0.935 273 V HN 0.105 nan 8.190 nan 0.000 0.453 274 D N -0.005 120.386 120.400 -0.014 0.000 2.366 274 D HA 0.043 4.683 4.640 -0.000 0.000 0.205 274 D C 1.241 177.529 176.300 -0.020 0.000 1.022 274 D CA 0.352 54.338 54.000 -0.023 0.000 0.868 274 D CB 0.078 40.857 40.800 -0.035 0.000 0.953 274 D HN 0.376 nan 8.370 nan 0.000 0.514 275 K N 0.528 120.918 120.400 -0.016 0.000 2.593 275 K HA 0.328 4.648 4.320 -0.000 0.000 0.208 275 K C 0.960 177.568 176.600 0.014 0.000 1.051 275 K CA -0.124 56.148 56.287 -0.024 0.000 1.111 275 K CB 1.034 33.491 32.500 -0.070 0.000 0.849 275 K HN 0.236 nan 8.250 nan 0.000 0.479 276 L N -0.681 120.578 121.223 0.061 0.000 2.693 276 L HA 0.192 4.532 4.340 -0.000 0.000 0.235 276 L C 0.843 177.846 176.870 0.222 0.000 1.127 276 L CA 0.199 55.132 54.840 0.156 0.000 0.914 276 L CB 0.226 42.423 42.059 0.229 0.000 1.193 276 L HN 0.379 nan 8.230 nan 0.000 0.502 277 G N 0.684 109.552 108.800 0.112 0.000 2.160 277 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.244 277 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.244 277 G C 0.651 175.575 174.900 0.041 0.000 1.022 277 G CA 0.067 45.225 45.100 0.096 0.000 0.741 277 G HN 0.158 nan 8.290 nan 0.000 0.508 278 L N 1.291 122.485 121.223 -0.049 0.000 2.261 278 L HA -0.034 4.306 4.340 -0.000 0.000 0.216 278 L C 2.853 179.633 176.870 -0.150 0.000 1.114 278 L CA 2.494 57.211 54.840 -0.206 0.000 0.777 278 L CB -0.335 41.608 42.059 -0.194 0.000 0.910 278 L HN 0.703 nan 8.230 nan 0.000 0.440 279 E N -1.380 118.775 120.200 -0.075 0.000 2.409 279 E HA -0.190 4.160 4.350 -0.000 0.000 0.198 279 E C 0.775 177.348 176.600 -0.045 0.000 1.024 279 E CA 0.759 57.125 56.400 -0.056 0.000 0.861 279 E CB -0.511 29.169 29.700 -0.034 0.000 0.788 279 E HN 0.494 nan 8.360 nan 0.000 0.521 280 N N 1.319 119.998 118.700 -0.036 0.000 2.322 280 N HA 0.008 4.748 4.740 -0.000 0.000 0.194 280 N C 0.328 175.816 175.510 -0.037 0.000 1.126 280 N CA 0.817 53.862 53.050 -0.009 0.000 0.845 280 N CB 0.599 39.114 38.487 0.046 0.000 0.976 280 N HN 0.443 nan 8.380 nan 0.000 0.475 281 T N -3.168 111.320 114.554 -0.110 0.000 2.910 281 T HA 0.350 4.700 4.350 -0.000 0.000 0.287 281 T C 0.797 175.422 174.700 -0.125 0.000 1.050 281 T CA -0.726 61.285 62.100 -0.147 0.000 1.011 281 T CB 1.584 70.270 68.868 -0.304 0.000 1.195 281 T HN -0.041 nan 8.240 nan 0.000 0.540 282 S N -0.251 115.377 115.700 -0.120 0.000 2.622 282 S HA 0.297 4.767 4.470 -0.000 0.000 0.236 282 S C 0.412 174.940 174.600 -0.119 0.000 0.956 282 S CA -0.725 57.417 58.200 -0.096 0.000 0.971 282 S CB -1.150 62.009 63.200 -0.067 0.000 0.782 282 S HN 0.646 nan 8.310 nan 0.000 0.468 283 I N 2.941 123.411 120.570 -0.165 0.000 2.662 283 I HA 0.010 4.180 4.170 -0.000 0.000 0.285 283 I C 0.623 176.673 176.117 -0.112 0.000 1.161 283 I CA 0.332 61.533 61.300 -0.166 0.000 1.415 283 I CB 0.295 38.156 38.000 -0.232 0.000 1.385 283 I HN 0.345 nan 8.210 nan 0.000 0.552 284 E N 6.997 127.147 120.200 -0.084 0.000 2.360 284 E HA 0.349 4.699 4.350 -0.000 0.000 0.269 284 E C -0.771 175.803 176.600 -0.043 0.000 1.022 284 E CA -0.207 56.158 56.400 -0.057 0.000 0.887 284 E CB 0.908 30.579 29.700 -0.047 0.000 0.990 284 E HN 0.437 nan 8.360 nan 0.000 0.426 285 L N 2.398 123.600 121.223 -0.036 0.000 2.333 285 L HA 0.332 4.672 4.340 -0.000 0.000 0.269 285 L C 0.077 176.938 176.870 -0.014 0.000 1.010 285 L CA -1.292 53.534 54.840 -0.023 0.000 0.818 285 L CB 1.406 43.447 42.059 -0.030 0.000 1.306 285 L HN 0.590 nan 8.230 nan 0.000 0.430 286 D N 0.466 120.865 120.400 -0.002 0.000 2.414 286 D HA 0.022 4.662 4.640 -0.000 0.000 0.251 286 D C 0.548 176.845 176.300 -0.006 0.000 1.252 286 D CA -0.495 53.504 54.000 -0.003 0.000 0.999 286 D CB 0.792 41.596 40.800 0.006 0.000 1.093 286 D HN 0.392 nan 8.370 nan 0.000 0.515 287 K N -0.978 119.419 120.400 -0.006 0.000 2.519 287 K HA -0.111 4.209 4.320 -0.000 0.000 0.196 287 K C 0.643 177.240 176.600 -0.004 0.000 1.041 287 K CA 0.759 57.042 56.287 -0.007 0.000 0.954 287 K CB 0.046 32.542 32.500 -0.006 0.000 0.774 287 K HN 0.194 nan 8.250 nan 0.000 0.480 288 K N 0.189 120.588 120.400 -0.001 0.000 2.372 288 K HA 0.151 4.471 4.320 -0.000 0.000 0.200 288 K C -0.197 176.400 176.600 -0.005 0.000 1.022 288 K CA -0.000 56.286 56.287 -0.001 0.000 1.125 288 K CB 0.511 33.015 32.500 0.006 0.000 0.855 288 K HN 0.137 nan 8.250 nan 0.000 0.524 289 N N -0.056 118.640 118.700 -0.008 0.000 2.829 289 N HA -0.150 4.590 4.740 -0.000 0.000 0.250 289 N C -1.100 174.403 175.510 -0.010 0.000 1.090 289 N CA 0.720 53.761 53.050 -0.014 0.000 0.781 289 N CB -1.547 36.928 38.487 -0.020 0.000 1.124 289 N HN 0.027 nan 8.380 nan 0.000 0.559 290 S N 1.384 117.087 115.700 0.005 0.000 2.513 290 S HA 0.389 4.859 4.470 -0.000 0.000 0.276 290 S C -2.168 172.451 174.600 0.033 0.000 1.254 290 S CA -0.812 57.400 58.200 0.021 0.000 1.053 290 S CB 1.691 64.920 63.200 0.047 0.000 0.958 290 S HN -0.002 nan 8.310 nan 0.000 0.491 291 P HA 0.060 nan 4.420 nan 0.000 0.264 291 P C -0.596 176.798 177.300 0.156 0.000 1.193 291 P CA 0.070 63.191 63.100 0.036 0.000 0.763 291 P CB 0.225 31.918 31.700 -0.012 0.000 0.810 292 L N 5.010 126.297 121.223 0.107 0.000 2.426 292 L HA 0.402 4.742 4.340 -0.000 0.000 0.271 292 L C 0.498 177.496 176.870 0.212 0.000 1.169 292 L CA 0.087 54.994 54.840 0.112 0.000 0.836 292 L CB -0.355 41.709 42.059 0.008 0.000 1.112 292 L HN 0.438 nan 8.230 nan 0.000 0.465 293 F N -0.587 119.339 119.950 -0.039 0.000 2.654 293 F HA 0.377 4.904 4.527 -0.000 0.000 0.308 293 F C -0.804 174.983 175.800 -0.020 0.000 1.108 293 F CA -1.328 56.651 58.000 -0.035 0.000 0.957 293 F CB 1.123 40.111 39.000 -0.020 0.000 1.309 293 F HN 0.296 nan 8.300 nan 0.000 0.446 294 D N 2.649 123.072 120.400 0.038 0.000 2.339 294 D HA 0.048 4.688 4.640 -0.000 0.000 0.256 294 D C 0.872 177.193 176.300 0.035 0.000 1.214 294 D CA 0.212 54.192 54.000 -0.033 0.000 0.877 294 D CB 1.321 42.141 40.800 0.034 0.000 1.111 294 D HN 0.911 nan 8.370 nan 0.000 0.478 295 E N 3.474 123.586 120.200 -0.147 0.000 2.347 295 E HA -0.119 4.231 4.350 -0.000 0.000 0.196 295 E C 1.333 177.994 176.600 0.102 0.000 1.008 295 E CA 0.513 56.900 56.400 -0.020 0.000 0.852 295 E CB 0.059 29.665 29.700 -0.156 0.000 0.783 295 E HN 0.510 nan 8.360 nan 0.000 0.505 296 L N 1.080 122.342 121.223 0.065 0.000 2.202 296 L HA 0.007 4.347 4.340 -0.000 0.000 0.205 296 L C 2.702 179.639 176.870 0.112 0.000 1.083 296 L CA 1.504 56.388 54.840 0.075 0.000 0.790 296 L CB -0.187 41.896 42.059 0.041 0.000 0.942 296 L HN 0.305 nan 8.230 nan 0.000 0.452 297 T N -3.839 110.798 114.554 0.139 0.000 3.037 297 T HA 0.162 4.512 4.350 -0.000 0.000 0.251 297 T C 1.220 176.103 174.700 0.306 0.000 1.079 297 T CA -0.109 62.106 62.100 0.193 0.000 1.067 297 T CB 0.292 69.266 68.868 0.177 0.000 0.948 297 T HN 0.202 nan 8.240 nan 0.000 0.496 298 L N -0.692 120.718 121.223 0.313 0.000 4.884 298 L HA -0.197 4.143 4.340 -0.000 0.000 0.430 298 L C -0.005 177.053 176.870 0.314 0.000 1.087 298 L CA 0.313 55.376 54.840 0.372 0.000 1.033 298 L CB -2.188 40.044 42.059 0.288 0.000 2.030 298 L HN 0.464 nan 8.230 nan 0.000 0.762 299 Q N 1.116 121.019 119.800 0.171 0.000 2.313 299 Q HA 0.284 4.624 4.340 -0.000 0.000 0.266 299 Q C 1.125 177.097 176.000 -0.048 0.000 0.989 299 Q CA 0.692 56.400 55.803 -0.159 0.000 0.890 299 Q CB 1.121 29.750 28.738 -0.181 0.000 1.200 299 Q HN 0.332 nan 8.270 nan 0.000 0.396 300 T N -1.613 112.857 114.554 -0.140 0.000 2.689 300 T HA 0.016 4.366 4.350 -0.000 0.000 0.308 300 T C 1.493 176.123 174.700 -0.117 0.000 1.021 300 T CA -0.103 61.950 62.100 -0.080 0.000 0.973 300 T CB 0.629 69.411 68.868 -0.143 0.000 1.113 300 T HN 0.672 nan 8.240 nan 0.000 0.522 301 S N -0.920 114.721 115.700 -0.098 0.000 2.440 301 S HA -0.035 4.435 4.470 -0.000 0.000 0.238 301 S C 0.767 175.290 174.600 -0.129 0.000 1.010 301 S CA 0.280 58.423 58.200 -0.096 0.000 0.972 301 S CB -0.771 62.382 63.200 -0.079 0.000 0.774 301 S HN 0.587 nan 8.310 nan 0.000 0.501 302 V N 4.228 124.019 119.914 -0.205 0.000 2.368 302 V HA 0.176 4.296 4.120 -0.000 0.000 0.266 302 V C 1.107 177.001 176.094 -0.334 0.000 1.045 302 V CA -0.113 62.020 62.300 -0.278 0.000 0.899 302 V CB 0.920 32.490 31.823 -0.421 0.000 1.006 302 V HN 0.532 nan 8.190 nan 0.000 0.470 303 D N 3.320 123.621 120.400 -0.165 0.000 2.350 303 D HA -0.220 4.420 4.640 -0.000 0.000 0.216 303 D C 1.321 177.561 176.300 -0.100 0.000 0.968 303 D CA 1.284 55.230 54.000 -0.090 0.000 0.894 303 D CB -0.109 40.742 40.800 0.085 0.000 0.909 303 D HN 0.810 nan 8.370 nan 0.000 0.520 304 H N -0.726 118.225 119.070 -0.198 0.000 2.549 304 H HA 0.328 4.884 4.556 -0.000 0.000 0.279 304 H C -0.042 175.102 175.328 -0.307 0.000 1.018 304 H CA -0.470 55.358 56.048 -0.366 0.000 1.175 304 H CB 0.026 29.520 29.762 -0.446 0.000 1.485 304 H HN 0.111 nan 8.280 nan 0.000 0.543 305 I N 1.536 121.713 120.570 -0.655 0.000 2.406 305 I HA 0.289 4.459 4.170 -0.000 0.000 0.290 305 I C -1.062 174.782 176.117 -0.455 0.000 0.999 305 I CA -0.848 60.236 61.300 -0.360 0.000 1.124 305 I CB 1.457 39.266 38.000 -0.319 0.000 1.289 305 I HN -0.106 nan 8.210 nan 0.000 0.441 306 F N 5.175 125.122 119.950 -0.004 0.000 2.556 306 F HA 0.713 5.240 4.527 0.000 0.000 0.327 306 F C -0.106 175.680 175.800 -0.024 0.000 1.059 306 F CA -1.113 56.890 58.000 0.006 0.000 0.953 306 F CB 1.968 40.984 39.000 0.027 0.000 1.227 306 F HN 0.071 nan 8.300 nan 0.000 0.478 307 V N 1.706 121.682 119.914 0.103 0.000 2.569 307 V HA 0.892 5.012 4.120 -0.000 0.000 0.301 307 V C -1.452 174.561 176.094 -0.135 0.000 1.044 307 V CA -0.327 61.937 62.300 -0.059 0.000 0.874 307 V CB 1.230 32.939 31.823 -0.191 0.000 1.002 307 V HN 0.996 nan 8.190 nan 0.000 0.424 308 A N 4.763 127.537 122.820 -0.077 0.000 2.449 308 A HA 1.031 5.351 4.320 -0.000 0.000 0.302 308 A C 0.333 177.883 177.584 -0.056 0.000 1.048 308 A CA 0.181 52.182 52.037 -0.059 0.000 0.708 308 A CB 1.536 20.535 19.000 -0.001 0.000 1.274 308 A HN 2.646 nan 8.150 nan 0.000 0.410 309 G N 1.301 110.069 108.800 -0.053 0.000 2.568 309 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.222 309 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.222 309 G C 0.249 175.121 174.900 -0.045 0.000 1.321 309 G CA 0.596 45.678 45.100 -0.031 0.000 0.893 309 G HN 0.769 nan 8.290 nan 0.000 0.569 310 D N 0.468 120.855 120.400 -0.020 0.000 2.228 310 D HA 0.086 4.726 4.640 -0.000 0.000 0.203 310 D C 2.700 178.978 176.300 -0.036 0.000 0.988 310 D CA 2.307 56.297 54.000 -0.016 0.000 0.864 310 D CB -0.547 40.256 40.800 0.006 0.000 0.928 310 D HN 0.960 nan 8.370 nan 0.000 0.469 311 A N 1.235 124.027 122.820 -0.047 0.000 1.978 311 A HA -0.234 4.086 4.320 -0.000 0.000 0.220 311 A C 1.675 179.180 177.584 -0.130 0.000 1.170 311 A CA 1.829 53.829 52.037 -0.062 0.000 0.636 311 A CB -0.645 18.330 19.000 -0.043 0.000 0.810 311 A HN 0.426 nan 8.150 nan 0.000 0.448 312 N N -1.541 117.021 118.700 -0.229 0.000 2.383 312 N HA -0.014 4.726 4.740 -0.000 0.000 0.192 312 N C 0.322 175.730 175.510 -0.170 0.000 1.141 312 N CA 0.686 53.477 53.050 -0.431 0.000 0.851 312 N CB -0.601 37.214 38.487 -1.121 0.000 0.976 312 N HN 0.358 nan 8.380 nan 0.000 0.465 313 N N -1.515 117.149 118.700 -0.061 0.000 2.714 313 N HA -0.176 4.564 4.740 -0.000 0.000 0.250 313 N C -1.415 174.139 175.510 0.074 0.000 1.117 313 N CA 1.408 54.470 53.050 0.020 0.000 0.719 313 N CB -1.472 37.039 38.487 0.040 0.000 1.081 313 N HN 0.467 nan 8.380 nan 0.000 0.557 314 T N 0.131 114.733 114.554 0.079 0.000 2.893 314 T HA 0.530 4.880 4.350 -0.000 0.000 0.293 314 T C 0.240 174.985 174.700 0.075 0.000 1.027 314 T CA -0.506 61.676 62.100 0.138 0.000 0.988 314 T CB 1.638 70.709 68.868 0.339 0.000 1.043 314 T HN 0.234 nan 8.240 nan 0.000 0.461 315 L N 2.011 123.269 121.223 0.057 0.000 3.795 315 L HA -0.165 4.175 4.340 -0.000 0.000 0.489 315 L C 0.897 177.763 176.870 -0.007 0.000 1.259 315 L CA 0.309 55.159 54.840 0.017 0.000 0.765 315 L CB -1.664 40.398 42.059 0.006 0.000 1.519 315 L HN 0.938 nan 8.230 nan 0.000 0.842 316 T N -1.518 113.043 114.554 0.012 0.000 4.309 316 T HA 0.512 4.862 4.350 -0.000 0.000 0.242 316 T C 0.061 174.770 174.700 0.016 0.000 1.142 316 T CA -0.595 61.513 62.100 0.013 0.000 1.042 316 T CB 0.155 69.040 68.868 0.028 0.000 1.366 316 T HN 0.144 nan 8.240 nan 0.000 0.942 317 L N 1.719 122.933 121.223 -0.016 0.000 2.333 317 L HA 0.442 4.782 4.340 -0.000 0.000 0.263 317 L C 1.035 177.892 176.870 -0.021 0.000 1.014 317 L CA -1.382 53.458 54.840 -0.000 0.000 0.820 317 L CB 1.541 43.581 42.059 -0.031 0.000 1.352 317 L HN 0.183 nan 8.230 nan 0.000 0.421 318 L N 2.350 123.610 121.223 0.061 0.000 1.976 318 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 318 L C 2.520 179.426 176.870 0.060 0.000 1.071 318 L CA 2.017 56.899 54.840 0.070 0.000 0.746 318 L CB -0.733 41.388 42.059 0.103 0.000 0.890 318 L HN 0.970 nan 8.230 nan 0.000 0.432 319 H N -0.684 118.423 119.070 0.062 0.000 2.457 319 H HA -0.125 4.431 4.556 -0.000 0.000 0.297 319 H C 1.597 176.956 175.328 0.053 0.000 1.092 319 H CA 1.163 57.248 56.048 0.061 0.000 1.309 319 H CB -0.233 29.574 29.762 0.075 0.000 1.382 319 H HN 0.407 nan 8.280 nan 0.000 0.535 320 E N 1.306 121.192 120.200 -0.524 0.000 2.072 320 E HA -0.001 4.349 4.350 -0.000 0.000 0.190 320 E C 2.576 179.111 176.600 -0.109 0.000 0.982 320 E CA 0.968 57.178 56.400 -0.317 0.000 0.803 320 E CB -0.345 29.170 29.700 -0.310 0.000 0.755 320 E HN 0.602 nan 8.360 nan 0.000 0.453 321 A N 1.730 124.507 122.820 -0.071 0.000 1.940 321 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 321 A C 2.426 180.014 177.584 0.006 0.000 1.176 321 A CA 2.116 54.143 52.037 -0.018 0.000 0.631 321 A CB -0.549 18.452 19.000 0.003 0.000 0.814 321 A HN 0.266 nan 8.150 nan 0.000 0.446 322 A N -0.149 122.683 122.820 0.020 0.000 1.898 322 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 322 A C 1.781 179.387 177.584 0.037 0.000 1.181 322 A CA 1.873 53.937 52.037 0.045 0.000 0.620 322 A CB -0.545 18.498 19.000 0.073 0.000 0.819 322 A HN 0.444 nan 8.150 nan 0.000 0.442 323 D N 0.145 120.561 120.400 0.026 0.000 2.117 323 D HA -0.102 4.538 4.640 -0.000 0.000 0.198 323 D C 1.375 177.687 176.300 0.020 0.000 0.982 323 D CA 1.325 55.341 54.000 0.027 0.000 0.828 323 D CB -0.444 40.373 40.800 0.027 0.000 0.967 323 D HN 0.352 nan 8.370 nan 0.000 0.464 324 D N -0.032 120.375 120.400 0.012 0.000 2.116 324 D HA -0.121 4.519 4.640 -0.000 0.000 0.193 324 D C 2.139 178.445 176.300 0.011 0.000 0.998 324 D CA 1.521 55.531 54.000 0.016 0.000 0.836 324 D CB -0.676 40.124 40.800 0.000 0.000 0.951 324 D HN 0.277 nan 8.370 nan 0.000 0.449 325 G N 0.425 109.232 108.800 0.013 0.000 2.446 325 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.217 325 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.217 325 G C 1.643 176.542 174.900 -0.002 0.000 1.168 325 G CA 1.314 46.422 45.100 0.012 0.000 0.771 325 G HN 0.281 nan 8.290 nan 0.000 0.551 326 K N 0.051 120.455 120.400 0.008 0.000 2.057 326 K HA -0.019 4.301 4.320 -0.000 0.000 0.207 326 K C 2.502 179.092 176.600 -0.015 0.000 1.049 326 K CA 1.343 57.632 56.287 0.002 0.000 0.931 326 K CB -0.439 32.072 32.500 0.017 0.000 0.714 326 K HN 0.175 nan 8.250 nan 0.000 0.440 327 V N 0.821 120.731 119.914 -0.007 0.000 2.270 327 V HA -0.211 3.909 4.120 -0.000 0.000 0.245 327 V C 2.380 178.429 176.094 -0.076 0.000 1.043 327 V CA 2.020 64.316 62.300 -0.008 0.000 1.014 327 V CB -0.855 30.992 31.823 0.040 0.000 0.645 327 V HN 0.528 nan 8.190 nan 0.000 0.447 328 A N 0.411 123.178 122.820 -0.088 0.000 1.902 328 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 328 A C 2.398 179.751 177.584 -0.385 0.000 1.181 328 A CA 1.957 53.849 52.037 -0.242 0.000 0.623 328 A CB -1.255 17.697 19.000 -0.080 0.000 0.818 328 A HN 0.536 nan 8.150 nan 0.000 0.443 329 G N -1.102 107.581 108.800 -0.196 0.000 2.421 329 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.216 329 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.216 329 G C 1.587 176.378 174.900 -0.181 0.000 1.171 329 G CA 1.670 46.673 45.100 -0.162 0.000 0.775 329 G HN 0.430 nan 8.290 nan 0.000 0.543 330 T N 1.339 115.804 114.554 -0.148 0.000 2.737 330 T HA -0.109 4.241 4.350 -0.000 0.000 0.265 330 T C 2.373 176.884 174.700 -0.315 0.000 1.038 330 T CA 1.251 63.253 62.100 -0.165 0.000 1.144 330 T CB -0.247 68.589 68.868 -0.054 0.000 0.866 330 T HN 0.173 nan 8.240 nan 0.000 0.434 331 N N 1.320 119.846 118.700 -0.291 0.000 2.188 331 N HA 0.050 4.790 4.740 -0.000 0.000 0.184 331 N C 2.063 177.367 175.510 -0.344 0.000 1.018 331 N CA 1.180 54.077 53.050 -0.254 0.000 0.858 331 N CB -0.518 37.902 38.487 -0.112 0.000 0.989 331 N HN 0.415 nan 8.380 nan 0.000 0.426 332 A N 0.506 122.905 122.820 -0.701 0.000 1.898 332 A HA 0.032 4.352 4.320 -0.000 0.000 0.216 332 A C 2.360 179.866 177.584 -0.130 0.000 1.181 332 A CA 1.836 53.625 52.037 -0.414 0.000 0.620 332 A CB -1.143 17.610 19.000 -0.412 0.000 0.819 332 A HN 0.340 nan 8.150 nan 0.000 0.442 333 G N -0.601 108.084 108.800 -0.192 0.000 2.421 333 G HA2 0.040 4.000 3.960 -0.000 0.000 0.216 333 G HA3 0.040 4.000 3.960 -0.000 0.000 0.216 333 G C 1.601 176.406 174.900 -0.158 0.000 1.171 333 G CA 1.299 46.321 45.100 -0.129 0.000 0.775 333 G HN 0.860 nan 8.290 nan 0.000 0.543 334 A N -0.897 121.690 122.820 -0.388 0.000 2.178 334 A HA 0.348 4.668 4.320 -0.000 0.000 0.211 334 A C 0.900 178.481 177.584 -0.005 0.000 1.157 334 A CA -0.549 51.336 52.037 -0.253 0.000 0.780 334 A CB -0.463 18.274 19.000 -0.438 0.000 0.828 334 A HN 0.416 nan 8.150 nan 0.000 0.476 335 Y N 1.835 122.108 120.300 -0.045 0.000 3.032 335 Y HA -0.013 4.537 4.550 -0.000 0.000 0.344 335 Y C -1.102 174.826 175.900 0.047 0.000 1.273 335 Y CA -0.227 57.911 58.100 0.062 0.000 1.588 335 Y CB 0.765 39.324 38.460 0.165 0.000 1.209 335 Y HN 0.195 nan 8.280 nan 0.000 0.597 336 P HA 0.011 nan 4.420 nan 0.000 0.253 336 P C -0.593 176.511 177.300 -0.326 0.000 1.260 336 P CA 0.286 62.941 63.100 -0.742 0.000 0.800 336 P CB 0.034 31.400 31.700 -0.556 0.000 1.162 337 V N 2.868 122.697 119.914 -0.142 0.000 2.446 337 V HA 0.056 4.176 4.120 -0.000 0.000 0.276 337 V C 0.667 176.732 176.094 -0.049 0.000 1.030 337 V CA 0.355 62.608 62.300 -0.078 0.000 1.033 337 V CB 0.172 31.971 31.823 -0.041 0.000 0.993 337 V HN 0.034 nan 8.190 nan 0.000 0.477 338 I N 4.478 125.030 120.570 -0.030 0.000 2.465 338 I HA 0.740 4.910 4.170 -0.000 0.000 0.291 338 I C 0.252 176.385 176.117 0.026 0.000 1.014 338 I CA -0.393 60.926 61.300 0.031 0.000 1.093 338 I CB 1.581 39.617 38.000 0.059 0.000 1.267 338 I HN 0.656 nan 8.210 nan 0.000 0.431 339 A N 6.941 129.784 122.820 0.037 0.000 2.380 339 A HA 0.742 5.062 4.320 -0.000 0.000 0.315 339 A C -0.526 177.086 177.584 0.047 0.000 1.101 339 A CA -0.668 51.387 52.037 0.031 0.000 0.771 339 A CB 1.563 20.574 19.000 0.019 0.000 1.287 339 A HN 0.660 nan 8.150 nan 0.000 0.436 340 Q N 1.473 121.296 119.800 0.039 0.000 2.243 340 Q HA 0.489 4.829 4.340 -0.000 0.000 0.252 340 Q C 0.349 176.373 176.000 0.039 0.000 0.909 340 Q CA -0.307 55.523 55.803 0.045 0.000 0.922 340 Q CB 1.116 29.876 28.738 0.036 0.000 1.215 340 Q HN 0.816 nan 8.270 nan 0.000 0.427 341 G N 1.834 110.662 108.800 0.048 0.000 2.432 341 G HA2 0.112 4.072 3.960 -0.000 0.000 0.239 341 G HA3 0.112 4.072 3.960 -0.000 0.000 0.239 341 G C -0.507 174.413 174.900 0.033 0.000 1.291 341 G CA -0.268 44.856 45.100 0.041 0.000 0.863 341 G HN 0.551 nan 8.290 nan 0.000 0.560 342 Q N 1.037 120.853 119.800 0.026 0.000 2.430 342 Q HA 0.253 4.593 4.340 -0.000 0.000 0.245 342 Q C 0.208 176.222 176.000 0.023 0.000 1.021 342 Q CA -0.538 55.278 55.803 0.022 0.000 0.867 342 Q CB 0.395 29.141 28.738 0.014 0.000 1.210 342 Q HN 0.403 nan 8.270 nan 0.000 0.487 343 R N 1.936 122.453 120.500 0.029 0.000 2.643 343 R HA 0.192 4.532 4.340 -0.000 0.000 0.270 343 R C 0.035 176.357 176.300 0.035 0.000 1.061 343 R CA 0.013 56.134 56.100 0.035 0.000 1.107 343 R CB 0.173 30.496 30.300 0.038 0.000 0.999 343 R HN 0.575 nan 8.270 nan 0.000 0.460 344 R N 0.703 121.233 120.500 0.050 0.000 2.679 344 R HA 0.244 4.584 4.340 -0.000 0.000 0.269 344 R C 0.164 176.504 176.300 0.066 0.000 1.076 344 R CA -0.228 55.902 56.100 0.051 0.000 1.160 344 R CB 0.370 30.717 30.300 0.079 0.000 1.054 344 R HN 0.670 nan 8.270 nan 0.000 0.507 345 A N 3.529 126.386 122.820 0.061 0.000 2.548 345 A HA 0.130 4.450 4.320 -0.000 0.000 0.247 345 A C -1.936 175.706 177.584 0.098 0.000 1.067 345 A CA -0.913 51.169 52.037 0.075 0.000 0.757 345 A CB -0.451 18.609 19.000 0.100 0.000 0.996 345 A HN 0.399 nan 8.150 nan 0.000 0.504 346 P HA 0.205 nan 4.420 nan 0.000 0.264 346 P C -0.817 176.545 177.300 0.103 0.000 1.183 346 P CA 0.336 63.491 63.100 0.091 0.000 0.763 346 P CB 0.354 32.084 31.700 0.050 0.000 0.807 347 L N 3.105 124.409 121.223 0.136 0.000 2.476 347 L HA 0.624 4.964 4.340 -0.000 0.000 0.269 347 L C -0.945 175.992 176.870 0.111 0.000 0.965 347 L CA -0.207 54.678 54.840 0.077 0.000 0.845 347 L CB 1.926 43.961 42.059 -0.040 0.000 1.259 347 L HN 0.214 nan 8.230 nan 0.000 0.403 348 S N 3.686 119.417 115.700 0.051 0.000 2.547 348 S HA 0.936 5.406 4.470 -0.000 0.000 0.281 348 S C -1.569 173.014 174.600 -0.030 0.000 1.118 348 S CA -0.394 57.832 58.200 0.044 0.000 0.947 348 S CB 1.479 64.710 63.200 0.050 0.000 1.053 348 S HN 0.461 nan 8.310 nan 0.000 0.482 349 V N 4.471 124.330 119.914 -0.090 0.000 2.709 349 V HA 0.608 4.728 4.120 -0.000 0.000 0.308 349 V C -0.832 175.056 176.094 -0.343 0.000 1.062 349 V CA -0.687 61.440 62.300 -0.288 0.000 0.901 349 V CB 2.077 33.593 31.823 -0.511 0.000 1.003 349 V HN 0.721 nan 8.190 nan 0.000 0.425 350 V N 4.283 124.013 119.914 -0.306 0.000 2.448 350 V HA 0.435 4.555 4.120 -0.000 0.000 0.295 350 V C -0.370 175.585 176.094 -0.232 0.000 1.025 350 V CA -0.331 61.866 62.300 -0.172 0.000 0.859 350 V CB 1.483 33.327 31.823 0.034 0.000 0.988 350 V HN 0.772 nan 8.190 nan 0.000 0.431 351 F N 2.737 122.725 119.950 0.064 0.000 2.949 351 F HA 0.184 4.711 4.527 -0.000 0.000 0.291 351 F C 1.624 177.460 175.800 0.060 0.000 1.214 351 F CA -0.376 57.652 58.000 0.048 0.000 1.381 351 F CB -0.402 38.610 39.000 0.021 0.000 1.066 351 F HN 0.606 nan 8.300 nan 0.000 0.520 352 T N -2.804 111.874 114.554 0.206 0.000 2.771 352 T HA 0.303 4.653 4.350 -0.000 0.000 0.290 352 T C -0.222 174.622 174.700 0.240 0.000 1.005 352 T CA -0.775 61.464 62.100 0.231 0.000 0.944 352 T CB 1.653 70.743 68.868 0.371 0.000 1.147 352 T HN 0.321 nan 8.240 nan 0.000 0.534 353 E N 0.871 121.243 120.200 0.286 0.000 2.241 353 E HA 0.418 4.768 4.350 -0.000 0.000 0.263 353 E C -2.859 173.878 176.600 0.228 0.000 0.882 353 E CA -2.569 53.948 56.400 0.196 0.000 0.769 353 E CB 1.660 31.470 29.700 0.183 0.000 1.185 353 E HN 0.364 nan 8.360 nan 0.000 0.415 354 P HA -0.013 nan 4.420 nan 0.000 0.271 354 P C -0.824 176.367 177.300 -0.181 0.000 1.233 354 P CA -0.003 62.875 63.100 -0.371 0.000 0.789 354 P CB 0.534 31.583 31.700 -1.085 0.000 0.951 355 Q N -0.299 119.416 119.800 -0.142 0.000 2.317 355 Q HA 0.430 4.770 4.340 -0.000 0.000 0.229 355 Q C -0.692 175.348 176.000 0.067 0.000 0.984 355 Q CA -0.721 55.077 55.803 -0.008 0.000 0.911 355 Q CB 0.658 29.347 28.738 -0.082 0.000 1.217 355 Q HN 0.162 nan 8.270 nan 0.000 0.501 356 V N 0.430 120.412 119.914 0.113 0.000 2.555 356 V HA 0.760 4.880 4.120 -0.000 0.000 0.302 356 V C -0.748 175.357 176.094 0.018 0.000 1.038 356 V CA -0.705 61.688 62.300 0.155 0.000 0.887 356 V CB 1.543 33.491 31.823 0.208 0.000 0.991 356 V HN 0.836 nan 8.190 nan 0.000 0.434 357 A N 3.047 125.893 122.820 0.043 0.000 2.393 357 A HA 0.869 5.189 4.320 -0.000 0.000 0.306 357 A C -0.479 177.147 177.584 0.069 0.000 1.050 357 A CA -0.512 51.534 52.037 0.014 0.000 0.724 357 A CB 1.815 20.811 19.000 -0.008 0.000 1.248 357 A HN 0.715 nan 8.150 nan 0.000 0.424 358 S N 0.464 116.200 115.700 0.061 0.000 2.473 358 S HA 0.701 5.171 4.470 -0.000 0.000 0.307 358 S C -0.646 174.002 174.600 0.080 0.000 1.094 358 S CA -0.552 57.698 58.200 0.085 0.000 1.070 358 S CB 1.591 64.834 63.200 0.072 0.000 1.019 358 S HN 0.711 nan 8.310 nan 0.000 0.480 359 V N 2.172 122.149 119.914 0.106 0.000 2.735 359 V HA 0.873 4.993 4.120 -0.000 0.000 0.310 359 V C 0.766 176.891 176.094 0.052 0.000 1.061 359 V CA 0.315 62.684 62.300 0.114 0.000 0.913 359 V CB 1.164 33.115 31.823 0.213 0.000 1.005 359 V HN 1.265 nan 8.190 nan 0.000 0.428 360 G N 3.590 112.406 108.800 0.027 0.000 2.552 360 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.265 360 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.265 360 G C -0.277 174.578 174.900 -0.076 0.000 1.234 360 G CA -0.081 44.986 45.100 -0.055 0.000 0.944 360 G HN 0.828 nan 8.290 nan 0.000 0.568 361 L N 1.437 122.575 121.223 -0.140 0.000 2.490 361 L HA 0.387 4.727 4.340 -0.000 0.000 0.274 361 L C 1.681 178.452 176.870 -0.164 0.000 1.201 361 L CA 0.258 55.013 54.840 -0.141 0.000 0.869 361 L CB 0.746 42.697 42.059 -0.179 0.000 1.123 361 L HN 0.960 nan 8.230 nan 0.000 0.484 362 S N 2.483 118.104 115.700 -0.132 0.000 2.608 362 S HA 0.099 4.569 4.470 -0.000 0.000 0.261 362 S C 0.865 175.305 174.600 -0.268 0.000 1.314 362 S CA -0.728 57.390 58.200 -0.137 0.000 0.992 362 S CB 1.071 64.225 63.200 -0.077 0.000 0.935 362 S HN 0.578 nan 8.310 nan 0.000 0.564 363 L N 1.133 122.180 121.223 -0.293 0.000 2.042 363 L HA -0.043 4.297 4.340 -0.000 0.000 0.210 363 L C 2.666 179.363 176.870 -0.289 0.000 1.076 363 L CA 1.800 56.385 54.840 -0.425 0.000 0.749 363 L CB -0.837 41.067 42.059 -0.258 0.000 0.893 363 L HN 0.812 nan 8.230 nan 0.000 0.432 364 R N -1.010 119.394 120.500 -0.160 0.000 2.096 364 R HA -0.162 4.178 4.340 -0.000 0.000 0.235 364 R C 2.338 178.569 176.300 -0.115 0.000 1.127 364 R CA 1.846 57.882 56.100 -0.107 0.000 0.968 364 R CB -0.287 29.978 30.300 -0.059 0.000 0.861 364 R HN 0.559 nan 8.270 nan 0.000 0.440 365 Q N -0.010 119.712 119.800 -0.130 0.000 2.119 365 Q HA -0.087 4.253 4.340 -0.000 0.000 0.201 365 Q C 2.026 177.958 176.000 -0.113 0.000 0.972 365 Q CA 1.170 56.913 55.803 -0.101 0.000 0.847 365 Q CB 0.049 28.735 28.738 -0.087 0.000 0.903 365 Q HN 0.355 nan 8.270 nan 0.000 0.433 366 I N 0.573 120.993 120.570 -0.249 0.000 2.202 366 I HA -0.245 3.925 4.170 -0.000 0.000 0.242 366 I C 2.244 178.207 176.117 -0.256 0.000 1.091 366 I CA 0.898 61.991 61.300 -0.345 0.000 1.368 366 I CB -0.187 37.317 38.000 -0.826 0.000 1.058 366 I HN 0.151 nan 8.210 nan 0.000 0.410 367 E N 0.599 120.640 120.200 -0.264 0.000 2.097 367 E HA -0.303 4.047 4.350 -0.000 0.000 0.196 367 E C 1.709 178.311 176.600 0.004 0.000 1.000 367 E CA 1.782 58.146 56.400 -0.059 0.000 0.804 367 E CB -0.406 29.278 29.700 -0.027 0.000 0.740 367 E HN 0.467 nan 8.360 nan 0.000 0.454 368 D N -0.308 120.075 120.400 -0.028 0.000 2.117 368 D HA -0.141 4.499 4.640 -0.000 0.000 0.197 368 D C 1.648 177.938 176.300 -0.017 0.000 0.987 368 D CA 0.791 54.780 54.000 -0.018 0.000 0.829 368 D CB 0.134 40.915 40.800 -0.033 0.000 0.961 368 D HN 0.033 nan 8.370 nan 0.000 0.460 369 L N -0.964 120.259 121.223 -0.001 0.000 2.357 369 L HA 0.099 4.439 4.340 -0.000 0.000 0.211 369 L C 1.039 177.785 176.870 -0.207 0.000 1.075 369 L CA 0.962 55.749 54.840 -0.089 0.000 0.830 369 L CB -0.773 41.247 42.059 -0.065 0.000 0.996 369 L HN 0.193 nan 8.230 nan 0.000 0.467 370 Y N -0.980 119.309 120.300 -0.019 0.000 2.557 370 Y HA 0.597 5.147 4.550 -0.000 0.000 0.247 370 Y C 0.717 176.713 175.900 0.161 0.000 1.164 370 Y CA -0.035 58.105 58.100 0.068 0.000 1.218 370 Y CB 0.696 39.205 38.460 0.083 0.000 1.210 370 Y HN 0.021 nan 8.280 nan 0.000 0.529 371 A N -0.071 122.884 122.820 0.224 0.000 2.593 371 A HA 0.690 5.010 4.320 -0.000 0.000 0.290 371 A C -1.494 176.149 177.584 0.099 0.000 1.126 371 A CA -0.482 51.675 52.037 0.199 0.000 0.695 371 A CB 1.478 20.666 19.000 0.313 0.000 1.290 371 A HN 0.149 nan 8.150 nan 0.000 0.414 372 D N -1.907 118.538 120.400 0.076 0.000 2.798 372 D HA 0.317 4.957 4.640 -0.000 0.000 0.308 372 D C 0.971 177.297 176.300 0.044 0.000 1.187 372 D CA 0.096 54.124 54.000 0.046 0.000 1.033 372 D CB -0.051 40.765 40.800 0.026 0.000 1.445 372 D HN 0.530 nan 8.370 nan 0.000 0.550 373 Q N -0.659 119.158 119.800 0.029 0.000 2.173 373 Q HA -0.194 4.146 4.340 -0.000 0.000 0.208 373 Q C 0.037 176.051 176.000 0.023 0.000 0.989 373 Q CA 1.941 57.759 55.803 0.025 0.000 0.872 373 Q CB -0.396 28.352 28.738 0.016 0.000 0.909 373 Q HN 0.471 nan 8.270 nan 0.000 0.420 374 D N -0.284 120.128 120.400 0.020 0.000 2.449 374 D HA 0.371 5.011 4.640 -0.000 0.000 0.210 374 D C -0.074 176.234 176.300 0.013 0.000 1.094 374 D CA 0.579 54.587 54.000 0.014 0.000 0.846 374 D CB 1.078 41.884 40.800 0.010 0.000 1.003 374 D HN 0.310 nan 8.370 nan 0.000 0.504 375 A N 0.393 123.225 122.820 0.021 0.000 2.572 375 A HA 0.764 5.084 4.320 -0.000 0.000 0.295 375 A C -1.554 176.053 177.584 0.038 0.000 1.072 375 A CA -0.532 51.517 52.037 0.019 0.000 0.691 375 A CB 2.010 21.022 19.000 0.019 0.000 1.291 375 A HN 0.019 nan 8.150 nan 0.000 0.404 376 A N 0.759 123.591 122.820 0.020 0.000 2.374 376 A HA 0.673 4.993 4.320 -0.000 0.000 0.305 376 A C -0.242 177.379 177.584 0.062 0.000 1.053 376 A CA -0.435 51.627 52.037 0.042 0.000 0.726 376 A CB 0.900 19.813 19.000 -0.145 0.000 1.229 376 A HN 0.892 nan 8.150 nan 0.000 0.431 377 N N 1.633 120.449 118.700 0.192 0.000 2.376 377 N HA 0.227 4.967 4.740 -0.000 0.000 0.249 377 N C -0.951 174.754 175.510 0.325 0.000 1.140 377 N CA 0.012 53.191 53.050 0.214 0.000 0.870 377 N CB 0.168 38.780 38.487 0.207 0.000 1.124 377 N HN 0.704 nan 8.380 nan 0.000 0.505 378 Y N -1.468 118.904 120.300 0.121 0.000 2.581 378 Y HA 0.630 5.180 4.550 -0.000 0.000 0.345 378 Y C -0.904 175.037 175.900 0.069 0.000 1.036 378 Y CA -1.185 56.949 58.100 0.056 0.000 1.042 378 Y CB 0.774 39.219 38.460 -0.026 0.000 1.289 378 Y HN -0.164 nan 8.280 nan 0.000 0.471 379 V N 0.139 120.114 119.914 0.103 0.000 3.126 379 V HA 0.921 5.041 4.120 -0.000 0.000 0.314 379 V C -1.286 174.912 176.094 0.174 0.000 1.138 379 V CA -1.227 61.076 62.300 0.004 0.000 1.034 379 V CB 1.446 33.276 31.823 0.011 0.000 1.075 379 V HN 0.837 nan 8.190 nan 0.000 0.442 380 V N 1.012 120.969 119.914 0.071 0.000 2.495 380 V HA 0.852 4.972 4.120 -0.000 0.000 0.298 380 V C 0.707 176.766 176.094 -0.057 0.000 1.031 380 V CA 0.156 62.458 62.300 0.004 0.000 0.871 380 V CB 1.247 33.074 31.823 0.006 0.000 0.988 380 V HN 1.330 nan 8.190 nan 0.000 0.432 381 G N 3.279 112.021 108.800 -0.096 0.000 2.379 381 G HA2 0.695 4.655 3.960 -0.000 0.000 0.327 381 G HA3 0.695 4.655 3.960 -0.000 0.000 0.327 381 G C -0.969 173.859 174.900 -0.120 0.000 1.145 381 G CA -0.431 44.620 45.100 -0.083 0.000 0.905 381 G HN 0.644 nan 8.290 nan 0.000 0.466 382 Q N -0.208 119.524 119.800 -0.113 0.000 2.423 382 Q HA 0.711 5.051 4.340 -0.000 0.000 0.278 382 Q C -1.413 174.491 176.000 -0.161 0.000 1.097 382 Q CA -0.993 54.731 55.803 -0.131 0.000 0.809 382 Q CB 3.435 32.104 28.738 -0.114 0.000 1.391 382 Q HN 0.451 nan 8.270 nan 0.000 0.428 383 V N 0.334 120.117 119.914 -0.217 0.000 3.012 383 V HA 0.587 4.707 4.120 -0.000 0.000 0.307 383 V C -1.482 174.382 176.094 -0.384 0.000 1.166 383 V CA -0.386 61.722 62.300 -0.320 0.000 0.974 383 V CB 2.505 34.066 31.823 -0.437 0.000 1.040 383 V HN 0.823 nan 8.190 nan 0.000 0.428 384 S N 4.195 119.682 115.700 -0.354 0.000 2.489 384 S HA 0.553 5.023 4.470 -0.000 0.000 0.291 384 S C 0.146 174.523 174.600 -0.372 0.000 1.151 384 S CA -0.350 57.668 58.200 -0.303 0.000 1.082 384 S CB 0.977 64.073 63.200 -0.173 0.000 1.019 384 S HN 0.573 nan 8.310 nan 0.000 0.492 385 F N 2.222 122.134 119.950 -0.063 0.000 2.789 385 F HA 0.238 4.765 4.527 -0.000 0.000 0.300 385 F C 2.039 177.837 175.800 -0.004 0.000 1.132 385 F CA 0.104 58.086 58.000 -0.029 0.000 1.404 385 F CB -0.037 38.944 39.000 -0.032 0.000 1.114 385 F HN 0.671 nan 8.300 nan 0.000 0.584 386 E N -0.036 120.238 120.200 0.124 0.000 2.153 386 E HA -0.132 4.218 4.350 -0.000 0.000 0.194 386 E C 2.237 178.873 176.600 0.061 0.000 0.988 386 E CA 1.100 57.563 56.400 0.105 0.000 0.811 386 E CB -0.307 29.454 29.700 0.102 0.000 0.746 386 E HN 0.413 nan 8.360 nan 0.000 0.466 387 G N 0.102 108.914 108.800 0.020 0.000 3.393 387 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.255 387 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.255 387 G C 0.312 175.214 174.900 0.004 0.000 1.097 387 G CA -0.360 44.743 45.100 0.005 0.000 0.780 387 G HN -0.042 nan 8.290 nan 0.000 0.540 388 Q N 1.110 120.927 119.800 0.027 0.000 2.296 388 Q HA 0.245 4.585 4.340 -0.000 0.000 0.262 388 Q C 1.535 177.576 176.000 0.068 0.000 0.981 388 Q CA 0.197 56.028 55.803 0.046 0.000 0.905 388 Q CB 1.435 30.250 28.738 0.128 0.000 1.186 388 Q HN 0.175 nan 8.270 nan 0.000 0.399 389 G N 4.488 113.316 108.800 0.048 0.000 2.545 389 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.217 389 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.217 389 G C 1.273 176.190 174.900 0.029 0.000 1.218 389 G CA 1.098 46.218 45.100 0.035 0.000 0.787 389 G HN 0.624 nan 8.290 nan 0.000 0.571 390 R N 0.792 121.304 120.500 0.020 0.000 2.081 390 R HA -0.016 4.324 4.340 -0.000 0.000 0.235 390 R C 2.871 179.202 176.300 0.051 0.000 1.131 390 R CA 1.973 58.084 56.100 0.018 0.000 0.960 390 R CB -0.797 29.508 30.300 0.007 0.000 0.856 390 R HN 0.318 nan 8.270 nan 0.000 0.436 391 S N 0.307 116.057 115.700 0.083 0.000 2.370 391 S HA -0.192 4.278 4.470 -0.000 0.000 0.226 391 S C 1.874 176.520 174.600 0.076 0.000 1.033 391 S CA 1.561 59.812 58.200 0.085 0.000 1.011 391 S CB -0.397 62.890 63.200 0.146 0.000 0.852 391 S HN 0.413 nan 8.310 nan 0.000 0.457 392 R N 1.194 121.738 120.500 0.074 0.000 2.073 392 R HA -0.039 4.301 4.340 -0.000 0.000 0.234 392 R C 0.877 177.215 176.300 0.063 0.000 1.134 392 R CA 0.729 56.863 56.100 0.057 0.000 0.952 392 R CB -0.594 29.734 30.300 0.046 0.000 0.850 392 R HN 0.204 nan 8.270 nan 0.000 0.433 396 K N 1.496 121.930 120.400 0.057 0.000 2.564 396 K HA 0.134 4.454 4.320 -0.000 0.000 0.205 396 K C 0.488 177.109 176.600 0.035 0.000 1.053 396 K CA -0.497 55.811 56.287 0.036 0.000 1.072 396 K CB 0.509 33.014 32.500 0.008 0.000 0.822 396 K HN 0.470 nan 8.250 nan 0.000 0.497 397 N N 1.712 120.450 118.700 0.063 0.000 3.103 397 N HA 0.028 4.768 4.740 -0.000 0.000 0.305 397 N C -0.680 174.906 175.510 0.126 0.000 1.232 397 N CA 0.084 53.197 53.050 0.104 0.000 1.190 397 N CB 0.126 38.668 38.487 0.093 0.000 1.461 397 N HN -0.026 nan 8.380 nan 0.000 0.538 398 K N 0.250 120.720 120.400 0.116 0.000 2.468 398 K HA 0.712 5.032 4.320 -0.000 0.000 0.252 398 K C -0.401 176.294 176.600 0.158 0.000 0.932 398 K CA -0.770 55.623 56.287 0.177 0.000 0.794 398 K CB 2.346 34.911 32.500 0.108 0.000 1.241 398 K HN 0.529 nan 8.250 nan 0.000 0.428 399 G N 1.376 110.381 108.800 0.341 0.000 2.361 399 G HA2 0.173 4.133 3.960 -0.000 0.000 0.331 399 G HA3 0.173 4.133 3.960 -0.000 0.000 0.331 399 G C -2.158 172.838 174.900 0.159 0.000 1.324 399 G CA -1.073 44.188 45.100 0.269 0.000 0.984 399 G HN 0.387 nan 8.290 nan 0.000 0.586 400 L N -0.397 120.958 121.223 0.220 0.000 2.472 400 L HA 0.754 5.094 4.340 -0.000 0.000 0.260 400 L C -1.218 175.784 176.870 0.220 0.000 0.963 400 L CA -0.991 53.873 54.840 0.041 0.000 0.829 400 L CB 2.278 44.241 42.059 -0.160 0.000 1.348 400 L HN 0.781 nan 8.230 nan 0.000 0.408 401 L N 2.881 124.163 121.223 0.098 0.000 2.376 401 L HA 0.601 4.941 4.340 -0.000 0.000 0.275 401 L C -1.260 175.601 176.870 -0.014 0.000 0.987 401 L CA -0.107 54.811 54.840 0.130 0.000 0.828 401 L CB 1.618 43.812 42.059 0.224 0.000 1.249 401 L HN 0.424 nan 8.230 nan 0.000 0.409 402 N N 3.861 122.543 118.700 -0.030 0.000 2.400 402 N HA 0.563 5.303 4.740 -0.000 0.000 0.288 402 N C -1.283 174.080 175.510 -0.245 0.000 1.024 402 N CA -0.305 52.627 53.050 -0.197 0.000 0.894 402 N CB 2.578 40.898 38.487 -0.279 0.000 1.173 402 N HN 0.431 nan 8.380 nan 0.000 0.487 403 V N 3.261 123.006 119.914 -0.283 0.000 2.540 403 V HA 0.415 4.535 4.120 -0.000 0.000 0.302 403 V C -1.204 174.761 176.094 -0.215 0.000 1.035 403 V CA -0.586 61.672 62.300 -0.071 0.000 0.873 403 V CB 0.839 32.712 31.823 0.083 0.000 0.992 403 V HN 0.493 nan 8.190 nan 0.000 0.428 404 Y N 3.216 123.614 120.300 0.162 0.000 2.377 404 Y HA 0.800 5.350 4.550 -0.000 0.000 0.339 404 Y C 0.376 176.296 175.900 0.033 0.000 1.011 404 Y CA -0.589 57.550 58.100 0.064 0.000 1.093 404 Y CB 2.015 40.417 38.460 -0.096 0.000 1.201 404 Y HN 0.695 nan 8.280 nan 0.000 0.455 405 A N 2.065 125.015 122.820 0.217 0.000 2.449 405 A HA 0.379 4.699 4.320 -0.000 0.000 0.302 405 A C -1.188 176.441 177.584 0.075 0.000 1.048 405 A CA -0.896 51.217 52.037 0.128 0.000 0.708 405 A CB 1.065 20.163 19.000 0.163 0.000 1.274 405 A HN 0.692 nan 8.150 nan 0.000 0.410 406 D N 1.178 121.576 120.400 -0.002 0.000 2.487 406 D HA -0.040 4.600 4.640 -0.000 0.000 0.243 406 D C 1.153 177.526 176.300 0.121 0.000 1.154 406 D CA 0.310 54.351 54.000 0.069 0.000 0.876 406 D CB 0.609 41.491 40.800 0.136 0.000 1.161 406 D HN 0.642 nan 8.370 nan 0.000 0.478 407 R N 2.388 122.973 120.500 0.143 0.000 2.148 407 R HA -0.083 4.257 4.340 -0.000 0.000 0.223 407 R C 1.479 177.830 176.300 0.085 0.000 1.088 407 R CA 1.208 57.366 56.100 0.097 0.000 0.985 407 R CB 0.220 30.568 30.300 0.080 0.000 0.880 407 R HN 0.426 nan 8.270 nan 0.000 0.451 408 T N -0.772 113.845 114.554 0.104 0.000 2.894 408 T HA -0.058 4.292 4.350 -0.000 0.000 0.258 408 T C 1.690 176.438 174.700 0.080 0.000 1.043 408 T CA 1.415 63.566 62.100 0.084 0.000 1.141 408 T CB 0.108 69.029 68.868 0.088 0.000 0.873 408 T HN 0.412 nan 8.240 nan 0.000 0.449 409 S N -0.224 115.533 115.700 0.096 0.000 2.506 409 S HA 0.422 4.892 4.470 -0.000 0.000 0.219 409 S C 1.874 176.526 174.600 0.087 0.000 1.031 409 S CA 0.714 58.967 58.200 0.088 0.000 0.911 409 S CB 0.196 63.455 63.200 0.099 0.000 0.812 409 S HN 0.668 nan 8.310 nan 0.000 0.497 410 G N 1.640 110.497 108.800 0.095 0.000 2.159 410 G HA2 -0.311 3.648 3.960 -0.000 0.000 0.256 410 G HA3 -0.311 3.648 3.960 -0.000 0.000 0.256 410 G C -0.168 174.805 174.900 0.121 0.000 0.977 410 G CA 0.306 45.464 45.100 0.098 0.000 0.652 410 G HN 0.835 nan 8.290 nan 0.000 0.531 411 E N 0.072 120.343 120.200 0.118 0.000 2.480 411 E HA 0.283 4.633 4.350 -0.000 0.000 0.258 411 E C 0.088 176.777 176.600 0.148 0.000 0.984 411 E CA -0.858 55.621 56.400 0.133 0.000 0.930 411 E CB 0.051 29.820 29.700 0.116 0.000 0.936 411 E HN 0.303 nan 8.360 nan 0.000 0.466 412 F N 5.841 125.817 119.950 0.043 0.000 2.541 412 F HA 0.048 4.575 4.527 0.000 0.000 0.378 412 F C 0.008 175.822 175.800 0.022 0.000 1.068 412 F CA -0.310 57.715 58.000 0.042 0.000 1.199 412 F CB 0.559 39.596 39.000 0.063 0.000 1.091 412 F HN 0.555 nan 8.300 nan 0.000 0.555 413 L N 4.749 125.590 121.223 -0.637 0.000 2.362 413 L HA 0.519 4.859 4.340 -0.000 0.000 0.204 413 L C 1.110 177.542 176.870 -0.728 0.000 1.060 413 L CA 0.910 55.408 54.840 -0.569 0.000 0.827 413 L CB -0.753 41.011 42.059 -0.492 0.000 1.027 413 L HN 0.827 nan 8.230 nan 0.000 0.474 414 G N -2.004 106.220 108.800 -0.959 0.000 2.320 414 G HA2 0.629 4.589 3.960 -0.000 0.000 0.296 414 G HA3 0.629 4.589 3.960 -0.000 0.000 0.296 414 G C -2.065 172.830 174.900 -0.007 0.000 1.306 414 G CA 0.076 44.879 45.100 -0.496 0.000 0.836 414 G HN 0.315 nan 8.290 nan 0.000 0.517 415 A N -0.784 122.172 122.820 0.227 0.000 2.608 415 A HA 0.880 5.200 4.320 -0.000 0.000 0.292 415 A C -0.889 176.850 177.584 0.258 0.000 1.066 415 A CA -0.408 51.817 52.037 0.313 0.000 0.676 415 A CB 1.620 20.844 19.000 0.373 0.000 1.277 415 A HN 0.750 nan 8.150 nan 0.000 0.413 419 G N 4.692 113.208 108.800 -0.472 0.000 2.320 419 G HA2 0.507 4.467 3.960 -0.000 0.000 0.296 419 G HA3 0.507 4.467 3.960 -0.000 0.000 0.296 419 G C -3.629 170.965 174.900 -0.510 0.000 1.306 419 G CA -0.825 43.903 45.100 -0.620 0.000 0.836 419 G HN 0.275 nan 8.290 nan 0.000 0.517 420 P HA 0.459 nan 4.420 nan 0.000 0.279 420 P C 0.570 177.727 177.300 -0.240 0.000 1.239 420 P CA 1.270 64.198 63.100 -0.287 0.000 0.789 420 P CB 1.567 33.134 31.700 -0.221 0.000 0.933 421 A N 2.223 124.982 122.820 -0.103 0.000 2.861 421 A HA -0.228 4.092 4.320 -0.000 0.000 0.261 421 A C 1.752 179.301 177.584 -0.058 0.000 1.351 421 A CA 1.127 53.160 52.037 -0.007 0.000 0.904 421 A CB -2.467 16.578 19.000 0.075 0.000 1.076 421 A HN 0.646 nan 8.150 nan 0.000 0.729 422 A N 0.193 122.936 122.820 -0.128 0.000 1.917 422 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 422 A C 1.852 179.386 177.584 -0.083 0.000 1.182 422 A CA 2.190 54.166 52.037 -0.102 0.000 0.633 422 A CB -0.683 18.253 19.000 -0.108 0.000 0.819 422 A HN 1.402 nan 8.150 nan 0.000 0.448 423 E N -1.194 118.911 120.200 -0.158 0.000 2.130 423 E HA -0.300 4.050 4.350 -0.000 0.000 0.196 423 E C 1.755 178.342 176.600 -0.022 0.000 0.998 423 E CA 1.639 57.941 56.400 -0.163 0.000 0.806 423 E CB -0.614 28.957 29.700 -0.216 0.000 0.738 423 E HN 0.764 nan 8.360 nan 0.000 0.459 424 H N 0.364 119.487 119.070 0.088 0.000 2.384 424 H HA 0.057 4.612 4.556 0.000 0.000 0.300 424 H C 2.307 177.658 175.328 0.038 0.000 1.057 424 H CA 0.975 57.055 56.048 0.054 0.000 1.370 424 H CB 0.072 29.814 29.762 -0.033 0.000 1.417 424 H HN 0.207 nan 8.280 nan 0.000 0.527 425 I N 0.767 121.418 120.570 0.135 0.000 2.361 425 I HA -0.127 4.043 4.170 -0.000 0.000 0.251 425 I C 2.629 178.795 176.117 0.082 0.000 1.133 425 I CA 1.111 62.462 61.300 0.084 0.000 1.413 425 I CB -1.628 36.419 38.000 0.079 0.000 1.073 425 I HN 0.205 nan 8.210 nan 0.000 0.424 426 G N 0.114 108.958 108.800 0.073 0.000 2.440 426 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.218 426 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.218 426 G C 1.532 176.453 174.900 0.035 0.000 1.154 426 G CA 0.915 46.041 45.100 0.045 0.000 0.767 426 G HN 0.391 nan 8.290 nan 0.000 0.552 427 H N -0.551 118.532 119.070 0.021 0.000 2.319 427 H HA -0.014 4.542 4.556 0.000 0.000 0.299 427 H C 2.371 177.636 175.328 -0.106 0.000 1.092 427 H CA 1.317 57.361 56.048 -0.007 0.000 1.302 427 H CB -0.281 29.413 29.762 -0.113 0.000 1.373 427 H HN 0.267 nan 8.280 nan 0.000 0.497 428 L N 0.326 121.534 121.223 -0.025 0.000 2.013 428 L HA -0.182 4.158 4.340 -0.000 0.000 0.212 428 L C 1.975 178.857 176.870 0.020 0.000 1.073 428 L CA 1.565 56.346 54.840 -0.098 0.000 0.753 428 L CB -0.595 41.406 42.059 -0.097 0.000 0.890 428 L HN 0.281 nan 8.230 nan 0.000 0.432 429 L N -1.305 119.955 121.223 0.061 0.000 2.141 429 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 429 L C 2.569 179.615 176.870 0.294 0.000 1.094 429 L CA 1.015 55.916 54.840 0.101 0.000 0.763 429 L CB -0.815 41.341 42.059 0.162 0.000 0.908 429 L HN 0.363 nan 8.230 nan 0.000 0.437 430 A N -0.609 122.382 122.820 0.285 0.000 1.897 430 A HA -0.184 4.136 4.320 -0.000 0.000 0.215 430 A C 1.832 179.644 177.584 0.380 0.000 1.181 430 A CA 1.030 53.253 52.037 0.311 0.000 0.620 430 A CB -0.793 18.340 19.000 0.223 0.000 0.821 430 A HN 0.445 nan 8.150 nan 0.000 0.443 431 W N 0.019 121.374 121.300 0.092 0.000 2.342 431 W HA -0.052 4.608 4.660 -0.000 0.000 0.297 431 W C 2.745 179.316 176.519 0.085 0.000 1.213 431 W CA 1.063 58.456 57.345 0.080 0.000 1.251 431 W CB -0.873 28.625 29.460 0.064 0.000 1.136 431 W HN 0.399 nan 8.180 nan 0.000 0.526 432 A N 0.244 123.254 122.820 0.318 0.000 1.902 432 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 432 A C 2.082 179.840 177.584 0.290 0.000 1.181 432 A CA 2.148 54.314 52.037 0.214 0.000 0.623 432 A CB -0.748 18.282 19.000 0.050 0.000 0.818 432 A HN 0.177 nan 8.150 nan 0.000 0.443 433 R N 0.009 120.755 120.500 0.409 0.000 2.081 433 R HA -0.164 4.176 4.340 -0.000 0.000 0.235 433 R C 2.252 178.662 176.300 0.184 0.000 1.131 433 R CA 2.236 58.546 56.100 0.350 0.000 0.960 433 R CB -0.709 29.764 30.300 0.289 0.000 0.856 433 R HN 0.652 nan 8.270 nan 0.000 0.436 434 Q N -0.213 119.678 119.800 0.152 0.000 2.167 434 Q HA -0.129 4.211 4.340 -0.000 0.000 0.202 434 Q C 1.622 177.661 176.000 0.065 0.000 0.970 434 Q CA 1.547 57.395 55.803 0.075 0.000 0.855 434 Q CB 0.132 28.880 28.738 0.016 0.000 0.911 434 Q HN 0.528 nan 8.270 nan 0.000 0.438 435 Q N -0.163 119.693 119.800 0.094 0.000 2.451 435 Q HA -0.003 4.337 4.340 -0.000 0.000 0.206 435 Q C -0.424 175.633 176.000 0.094 0.000 0.947 435 Q CA 0.098 55.951 55.803 0.083 0.000 0.937 435 Q CB 0.309 29.107 28.738 0.100 0.000 1.025 435 Q HN 0.323 nan 8.270 nan 0.000 0.511 439 V N -0.065 119.921 119.914 0.119 0.000 2.407 439 V HA -0.169 3.951 4.120 -0.000 0.000 0.248 439 V C 2.759 178.887 176.094 0.057 0.000 1.055 439 V CA 1.839 64.185 62.300 0.076 0.000 1.049 439 V CB -1.420 30.455 31.823 0.087 0.000 0.662 439 V HN 0.956 nan 8.190 nan 0.000 0.455 440 Q N 2.612 122.448 119.800 0.059 0.000 2.084 440 Q HA -0.006 4.334 4.340 -0.000 0.000 0.202 440 Q C 1.659 177.692 176.000 0.055 0.000 0.978 440 Q CA 1.728 57.560 55.803 0.049 0.000 0.844 440 Q CB -1.136 27.628 28.738 0.044 0.000 0.898 440 Q HN 0.768 nan 8.270 nan 0.000 0.426 447 F N 1.533 121.533 119.950 0.084 0.000 2.500 447 F HA 0.391 4.918 4.527 -0.000 0.000 0.349 447 F C 0.419 176.305 175.800 0.142 0.000 1.127 447 F CA -0.716 57.341 58.000 0.096 0.000 0.998 447 F CB 1.160 40.199 39.000 0.066 0.000 1.237 447 F HN 0.263 nan 8.300 nan 0.000 0.439 448 Y N 2.238 122.621 120.300 0.137 0.000 2.223 448 Y HA 0.210 4.760 4.550 -0.000 0.000 0.352 448 Y C -0.057 175.956 175.900 0.187 0.000 1.293 448 Y CA 0.251 58.422 58.100 0.118 0.000 1.601 448 Y CB 0.462 38.950 38.460 0.048 0.000 1.407 448 Y HN 0.592 nan 8.280 nan 0.000 0.639 449 H N 1.443 120.433 119.070 -0.134 0.000 2.954 449 H HA 0.436 4.992 4.556 -0.000 0.000 0.361 449 H C -2.853 172.468 175.328 -0.011 0.000 1.122 449 H CA -2.108 53.912 56.048 -0.046 0.000 1.217 449 H CB 1.561 31.253 29.762 -0.117 0.000 1.776 449 H HN 0.322 nan 8.280 nan 0.000 0.533 450 P HA 0.315 nan 4.420 nan 0.000 0.300 450 P C -1.300 175.939 177.300 -0.102 0.000 1.356 450 P CA -0.638 62.141 63.100 -0.535 0.000 0.823 450 P CB 1.306 32.627 31.700 -0.632 0.000 0.934 451 V N 0.636 120.559 119.914 0.015 0.000 3.102 451 V HA 0.439 4.559 4.120 -0.000 0.000 0.312 451 V C 1.333 177.491 176.094 0.107 0.000 1.135 451 V CA -0.924 61.422 62.300 0.076 0.000 1.022 451 V CB 1.673 33.570 31.823 0.123 0.000 1.056 451 V HN 0.295 nan 8.190 nan 0.000 0.436 452 I N -0.167 120.465 120.570 0.103 0.000 2.361 452 I HA -0.141 4.029 4.170 -0.000 0.000 0.251 452 I C 2.331 178.586 176.117 0.229 0.000 1.133 452 I CA 1.526 62.921 61.300 0.157 0.000 1.413 452 I CB -0.192 37.851 38.000 0.072 0.000 1.073 452 I HN 0.856 nan 8.210 nan 0.000 0.424 453 E N 0.894 121.211 120.200 0.196 0.000 2.273 453 E HA -0.245 4.105 4.350 -0.000 0.000 0.198 453 E C 1.885 178.713 176.600 0.379 0.000 1.002 453 E CA 0.994 57.554 56.400 0.266 0.000 0.828 453 E CB -0.182 29.636 29.700 0.197 0.000 0.747 453 E HN 0.499 nan 8.360 nan 0.000 0.491 454 E N -0.609 119.759 120.200 0.280 0.000 2.204 454 E HA -0.095 4.255 4.350 -0.000 0.000 0.194 454 E C 2.152 178.775 176.600 0.037 0.000 0.989 454 E CA 0.733 57.226 56.400 0.154 0.000 0.824 454 E CB -0.175 29.607 29.700 0.135 0.000 0.756 454 E HN 0.396 nan 8.360 nan 0.000 0.477 455 G N 1.599 110.458 108.800 0.098 0.000 2.442 455 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.219 455 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.219 455 G C 1.558 176.423 174.900 -0.058 0.000 1.141 455 G CA 0.626 45.689 45.100 -0.062 0.000 0.763 455 G HN 0.183 nan 8.290 nan 0.000 0.554 456 L N 0.658 121.951 121.223 0.117 0.000 2.046 456 L HA 0.067 4.407 4.340 -0.000 0.000 0.208 456 L C 2.700 179.557 176.870 -0.022 0.000 1.077 456 L CA 2.246 57.155 54.840 0.116 0.000 0.747 456 L CB -0.615 41.595 42.059 0.251 0.000 0.896 456 L HN 0.255 nan 8.230 nan 0.000 0.432 457 R N -1.084 119.293 120.500 -0.205 0.000 2.096 457 R HA -0.187 4.153 4.340 -0.000 0.000 0.240 457 R C 2.018 178.133 176.300 -0.308 0.000 1.139 457 R CA 2.219 57.964 56.100 -0.592 0.000 0.952 457 R CB -0.542 29.137 30.300 -1.034 0.000 0.854 457 R HN 0.467 nan 8.270 nan 0.000 0.436 458 T N 0.573 114.993 114.554 -0.224 0.000 2.684 458 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 458 T C 1.841 176.449 174.700 -0.153 0.000 1.036 458 T CA 1.531 63.524 62.100 -0.179 0.000 1.148 458 T CB -0.374 68.386 68.868 -0.179 0.000 0.863 458 T HN 0.494 nan 8.240 nan 0.000 0.436 459 A N 1.029 123.762 122.820 -0.145 0.000 1.933 459 A HA 0.036 4.356 4.320 -0.000 0.000 0.218 459 A C 2.323 179.857 177.584 -0.082 0.000 1.175 459 A CA 1.148 53.117 52.037 -0.114 0.000 0.628 459 A CB -0.804 18.139 19.000 -0.095 0.000 0.814 459 A HN 0.478 nan 8.150 nan 0.000 0.444 460 L N -1.259 119.916 121.223 -0.081 0.000 2.056 460 L HA -0.159 4.181 4.340 -0.000 0.000 0.207 460 L C 2.853 179.688 176.870 -0.059 0.000 1.078 460 L CA 1.301 56.107 54.840 -0.056 0.000 0.749 460 L CB -0.450 41.576 42.059 -0.056 0.000 0.901 460 L HN 0.342 nan 8.230 nan 0.000 0.433 461 R N -0.129 120.315 120.500 -0.094 0.000 2.081 461 R HA -0.205 4.135 4.340 -0.000 0.000 0.235 461 R C 1.982 178.244 176.300 -0.063 0.000 1.131 461 R CA 1.781 57.832 56.100 -0.082 0.000 0.960 461 R CB -0.418 29.819 30.300 -0.105 0.000 0.856 461 R HN 0.290 nan 8.270 nan 0.000 0.436 462 D N 0.349 120.707 120.400 -0.071 0.000 2.104 462 D HA -0.150 4.490 4.640 -0.000 0.000 0.194 462 D C 1.772 178.046 176.300 -0.043 0.000 0.994 462 D CA 1.776 55.738 54.000 -0.063 0.000 0.830 462 D CB -0.075 40.678 40.800 -0.077 0.000 0.959 462 D HN 0.230 nan 8.370 nan 0.000 0.452 463 A N 0.256 123.057 122.820 -0.032 0.000 1.877 463 A HA -0.225 4.095 4.320 -0.000 0.000 0.216 463 A C 2.207 179.794 177.584 0.004 0.000 1.186 463 A CA 2.002 54.037 52.037 -0.003 0.000 0.620 463 A CB -0.963 18.053 19.000 0.027 0.000 0.822 463 A HN 0.447 nan 8.150 nan 0.000 0.443 464 Q N -0.148 119.651 119.800 -0.001 0.000 2.112 464 Q HA -0.327 4.013 4.340 -0.000 0.000 0.206 464 Q C 2.037 178.032 176.000 -0.008 0.000 0.987 464 Q CA 2.300 58.104 55.803 0.002 0.000 0.858 464 Q CB -0.231 28.504 28.738 -0.006 0.000 0.905 464 Q HN 0.844 nan 8.270 nan 0.000 0.420 465 Q N -0.198 119.589 119.800 -0.022 0.000 2.488 465 Q HA -0.044 4.296 4.340 -0.000 0.000 0.211 465 Q C 0.970 176.956 176.000 -0.024 0.000 0.967 465 Q CA 1.182 56.968 55.803 -0.028 0.000 0.926 465 Q CB 0.114 28.830 28.738 -0.038 0.000 0.992 465 Q HN 0.268 nan 8.270 nan 0.000 0.506 466 K N 0.103 120.493 120.400 -0.017 0.000 2.393 466 K HA 0.220 4.540 4.320 -0.000 0.000 0.193 466 K C -0.097 176.501 176.600 -0.003 0.000 1.026 466 K CA -0.149 56.130 56.287 -0.015 0.000 1.064 466 K CB 0.292 32.781 32.500 -0.019 0.000 0.833 466 K HN 0.219 nan 8.250 nan 0.000 0.521 467 L N 0.499 121.725 121.223 0.006 0.000 2.452 467 L HA 0.071 4.411 4.340 -0.000 0.000 0.267 467 L C 1.398 178.277 176.870 0.015 0.000 1.188 467 L CA -0.305 54.547 54.840 0.020 0.000 0.821 467 L CB 0.634 42.711 42.059 0.030 0.000 1.102 467 L HN 0.089 nan 8.230 nan 0.000 0.470 468 A N 2.955 125.790 122.820 0.025 0.000 2.235 468 A HA 0.097 4.417 4.320 -0.000 0.000 0.208 468 A C 0.764 178.362 177.584 0.023 0.000 1.172 468 A CA 0.253 52.303 52.037 0.022 0.000 0.786 468 A CB -0.321 18.697 19.000 0.029 0.000 0.804 468 A HN 0.617 nan 8.150 nan 0.000 0.479 469 I N 0.686 121.271 120.570 0.025 0.000 2.764 469 I HA 0.135 4.305 4.170 -0.000 0.000 0.294 469 I C 0.717 176.845 176.117 0.018 0.000 1.045 469 I CA -0.784 60.533 61.300 0.028 0.000 1.340 469 I CB 0.955 38.975 38.000 0.035 0.000 1.436 469 I HN 0.547 nan 8.210 nan 0.000 0.567 470 E N 6.160 126.377 120.200 0.028 0.000 2.442 470 E HA -0.084 4.266 4.350 -0.000 0.000 0.262 470 E C 0.743 177.331 176.600 -0.021 0.000 1.004 470 E CA -0.343 56.074 56.400 0.027 0.000 0.928 470 E CB 0.697 30.446 29.700 0.082 0.000 0.937 470 E HN 0.628 nan 8.360 nan 0.000 0.446 471 K N 3.148 123.482 120.400 -0.109 0.000 2.144 471 K HA -0.293 4.027 4.320 -0.000 0.000 0.209 471 K C 0.745 177.184 176.600 -0.268 0.000 1.047 471 K CA 2.133 58.269 56.287 -0.252 0.000 0.927 471 K CB -0.286 31.952 32.500 -0.436 0.000 0.716 471 K HN 0.747 nan 8.250 nan 0.000 0.454 472 H N -0.059 119.021 119.070 0.017 0.000 2.536 472 H HA 0.175 4.731 4.556 -0.000 0.000 0.276 472 H C -0.008 175.333 175.328 0.022 0.000 1.019 472 H CA -0.115 55.945 56.048 0.020 0.000 1.159 472 H CB 0.203 29.977 29.762 0.020 0.000 1.373 472 H HN 0.214 nan 8.280 nan 0.000 0.584 476 E N 0.459 120.709 120.200 0.083 0.000 2.435 476 E HA 0.082 4.432 4.350 -0.000 0.000 0.195 476 E C -0.491 176.220 176.600 0.185 0.000 1.029 476 E CA 0.660 57.122 56.400 0.103 0.000 0.865 476 E CB 0.555 30.300 29.700 0.076 0.000 0.833 476 E HN 0.357 nan 8.360 nan 0.000 0.510 477 F N 0.782 120.741 119.950 0.015 0.000 2.562 477 F HA 0.303 4.830 4.527 -0.000 0.000 0.319 477 F C -0.694 175.111 175.800 0.007 0.000 1.154 477 F CA -1.126 56.883 58.000 0.014 0.000 0.931 477 F CB 0.791 39.795 39.000 0.006 0.000 1.198 477 F HN -0.317 nan 8.300 nan 0.000 0.444 481 H N 0.000 119.071 119.070 0.002 0.000 2.539 481 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 481 H CA 0.000 56.052 56.048 0.006 0.000 1.023 481 H CB 0.000 29.765 29.762 0.006 0.000 1.292 481 H HN 0.000 nan 8.280 nan 0.000 0.496