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 1k7w_1_C DATA FIRST_RESID 19 DATA SEQUENCE TDPIMEKLNS SIAYDQRLSE VDIQGSMAYA KALEKAGILT KTELEKILSG DATA SEQUENCE LEKISEEWSK GVFVVKQSDE DIHTANERRL KELIGDIAGK LHTGRSRNDQ DATA SEQUENCE VVTDLKLFMK NSLSIISTHL LQLIKTLVER AAIEIDVILP GYTHLQKAQP DATA SEQUENCE IRWSQFLLSH AVALTRDSER LGEVKKRINV LPLGSGALAG NPLDIDREML DATA SEQUENCE RSELEFASIS LNSMDAISER DFVVEFLSFA TLLMIHLSKM AEDLIIYSTS DATA SEQUENCE EFGFLTLSDA FSTGASLMPQ KKNPDSLELI RSKAGRVFGR LASILMVLKG DATA SEQUENCE LPSTYNKDLQ EDKEAVFDVV DTLTAVLQVA TGVISTLQIS KENMEKALTP DATA SEQUENCE EMLATDLALY LVRKGVPFRQ AHTASGKAVH LAETKGITIN KLSLEDLKSI DATA SEQUENCE SPQFSSDVSQ VFNFVNSVEQ YTALGGTAKS SVTTQIEQLR ELMKKQKE 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 19 T HA 0.000 nan 4.350 nan 0.000 0.228 19 T C 0.000 174.706 174.700 0.010 0.000 1.109 19 T CA 0.000 62.106 62.100 0.010 0.000 1.349 19 T CB 0.000 68.874 68.868 0.010 0.000 0.612 20 D N 4.732 125.139 120.400 0.011 0.000 2.313 20 D HA 0.233 4.874 4.640 0.001 0.000 0.239 20 D C -1.194 175.114 176.300 0.013 0.000 1.142 20 D CA -2.114 51.892 54.000 0.011 0.000 0.847 20 D CB 1.932 42.738 40.800 0.011 0.000 1.082 20 D HN 0.166 nan 8.370 nan 0.000 0.480 21 P HA -0.153 nan 4.420 nan 0.000 0.216 21 P C 1.620 178.929 177.300 0.015 0.000 1.150 21 P CA 0.626 63.734 63.100 0.013 0.000 0.837 21 P CB 0.523 32.230 31.700 0.011 0.000 0.786 22 I N -0.806 119.773 120.570 0.015 0.000 2.315 22 I HA -0.160 4.010 4.170 0.001 0.000 0.248 22 I C 2.695 178.823 176.117 0.019 0.000 1.117 22 I CA 1.325 62.635 61.300 0.017 0.000 1.404 22 I CB -1.141 36.867 38.000 0.014 0.000 1.071 22 I HN -0.097 nan 8.210 nan 0.000 0.419 23 M N 0.592 120.203 119.600 0.018 0.000 2.132 23 M HA -0.197 4.283 4.480 0.001 0.000 0.263 23 M C 2.228 178.543 176.300 0.025 0.000 1.065 23 M CA 1.786 57.098 55.300 0.021 0.000 1.122 23 M CB -0.703 31.908 32.600 0.018 0.000 1.365 23 M HN 0.328 nan 8.290 nan 0.000 0.411 24 E N -0.093 120.120 120.200 0.022 0.000 2.058 24 E HA -0.250 4.100 4.350 0.001 0.000 0.194 24 E C 1.921 178.537 176.600 0.026 0.000 0.997 24 E CA 1.499 57.912 56.400 0.022 0.000 0.801 24 E CB -0.081 29.630 29.700 0.018 0.000 0.746 24 E HN 0.589 nan 8.360 nan 0.000 0.450 25 K N 0.400 120.816 120.400 0.027 0.000 2.057 25 K HA -0.111 4.209 4.320 0.001 0.000 0.207 25 K C 2.374 179.001 176.600 0.045 0.000 1.049 25 K CA 0.982 57.289 56.287 0.033 0.000 0.931 25 K CB -0.188 32.331 32.500 0.031 0.000 0.714 25 K HN 0.247 nan 8.250 nan 0.000 0.440 26 L N 1.276 122.525 121.223 0.043 0.000 2.056 26 L HA -0.208 4.132 4.340 0.001 0.000 0.207 26 L C 2.182 179.090 176.870 0.063 0.000 1.078 26 L CA 1.268 56.139 54.840 0.051 0.000 0.749 26 L CB -0.219 41.862 42.059 0.036 0.000 0.901 26 L HN 0.207 nan 8.230 nan 0.000 0.433 27 N N -0.193 118.538 118.700 0.051 0.000 2.171 27 N HA -0.134 4.606 4.740 0.001 0.000 0.184 27 N C 0.873 176.416 175.510 0.056 0.000 1.021 27 N CA 0.735 53.819 53.050 0.056 0.000 0.854 27 N CB -0.095 38.420 38.487 0.046 0.000 0.994 27 N HN 0.186 nan 8.380 nan 0.000 0.426 28 S N -0.731 114.990 115.700 0.035 0.000 2.563 28 S HA 0.046 4.517 4.470 0.001 0.000 0.294 28 S C 1.014 175.589 174.600 -0.041 0.000 1.279 28 S CA 0.296 58.495 58.200 -0.002 0.000 1.069 28 S CB 0.206 63.403 63.200 -0.005 0.000 0.828 28 S HN 0.421 nan 8.310 nan 0.000 0.497 29 S N 4.393 119.998 115.700 -0.158 0.000 2.603 29 S HA 0.095 4.565 4.470 0.001 0.000 0.232 29 S C 1.379 175.515 174.600 -0.774 0.000 1.016 29 S CA -0.170 57.726 58.200 -0.507 0.000 0.976 29 S CB -0.231 62.802 63.200 -0.278 0.000 0.921 29 S HN 0.689 nan 8.310 nan 0.000 0.516 30 I N 3.285 123.629 120.570 -0.377 0.000 2.315 30 I HA -0.095 4.076 4.170 0.001 0.000 0.251 30 I C 2.419 178.379 176.117 -0.261 0.000 1.125 30 I CA 1.092 62.225 61.300 -0.279 0.000 1.392 30 I CB -0.836 37.101 38.000 -0.105 0.000 1.065 30 I HN 0.386 nan 8.210 nan 0.000 0.424 31 A N -0.015 122.663 122.820 -0.237 0.000 1.940 31 A HA -0.240 4.080 4.320 0.001 0.000 0.219 31 A C 2.118 179.682 177.584 -0.033 0.000 1.176 31 A CA 2.344 54.337 52.037 -0.073 0.000 0.631 31 A CB -1.059 17.964 19.000 0.039 0.000 0.814 31 A HN 0.724 nan 8.150 nan 0.000 0.446 32 Y N -1.143 119.166 120.300 0.015 0.000 2.559 32 Y HA 0.205 4.756 4.550 0.001 0.000 0.279 32 Y C 1.389 177.308 175.900 0.033 0.000 1.117 32 Y CA 0.076 58.196 58.100 0.034 0.000 1.263 32 Y CB -0.536 38.003 38.460 0.132 0.000 1.230 32 Y HN 0.306 nan 8.280 nan 0.000 0.528 33 D N 1.788 122.016 120.400 -0.286 0.000 2.378 33 D HA -0.193 4.447 4.640 0.001 0.000 0.227 33 D C 1.317 177.455 176.300 -0.270 0.000 1.012 33 D CA 0.979 54.907 54.000 -0.121 0.000 0.905 33 D CB -0.427 40.238 40.800 -0.225 0.000 0.895 33 D HN 0.778 nan 8.370 nan 0.000 0.532 34 Q N 0.043 119.645 119.800 -0.330 0.000 2.369 34 Q HA -0.080 4.260 4.340 0.001 0.000 0.206 34 Q C 2.086 177.714 176.000 -0.619 0.000 0.963 34 Q CA 0.348 55.829 55.803 -0.536 0.000 0.894 34 Q CB -0.385 28.111 28.738 -0.403 0.000 0.965 34 Q HN 0.233 nan 8.270 nan 0.000 0.475 35 R N 0.346 120.575 120.500 -0.452 0.000 2.193 35 R HA -0.071 4.270 4.340 0.001 0.000 0.229 35 R C 0.800 176.837 176.300 -0.438 0.000 1.110 35 R CA 0.634 56.426 56.100 -0.513 0.000 0.988 35 R CB 0.103 29.887 30.300 -0.860 0.000 0.871 35 R HN 0.216 nan 8.270 nan 0.000 0.458 36 L N 1.152 122.158 121.223 -0.362 0.000 2.627 36 L HA 0.072 4.413 4.340 0.001 0.000 0.232 36 L C 1.910 178.590 176.870 -0.317 0.000 1.150 36 L CA 0.889 55.593 54.840 -0.225 0.000 0.917 36 L CB -0.166 41.830 42.059 -0.104 0.000 1.104 36 L HN 0.239 nan 8.230 nan 0.000 0.445 37 S N -0.078 115.258 115.700 -0.606 0.000 2.368 37 S HA -0.301 4.169 4.470 0.001 0.000 0.226 37 S C 1.916 176.233 174.600 -0.472 0.000 1.044 37 S CA 1.648 59.308 58.200 -0.900 0.000 1.062 37 S CB -0.290 61.708 63.200 -2.002 0.000 0.931 37 S HN 0.428 nan 8.310 nan 0.000 0.440 38 E N 1.725 121.744 120.200 -0.302 0.000 2.047 38 E HA -0.109 4.241 4.350 0.001 0.000 0.191 38 E C 2.196 178.771 176.600 -0.041 0.000 0.987 38 E CA 1.861 58.198 56.400 -0.105 0.000 0.799 38 E CB -0.787 28.887 29.700 -0.044 0.000 0.752 38 E HN 0.613 nan 8.360 nan 0.000 0.449 39 V N -0.500 119.404 119.914 -0.017 0.000 2.490 39 V HA -0.197 3.923 4.120 0.001 0.000 0.250 39 V C 2.098 178.214 176.094 0.037 0.000 1.061 39 V CA 2.305 64.627 62.300 0.036 0.000 1.064 39 V CB -0.913 30.968 31.823 0.097 0.000 0.670 39 V HN 0.191 nan 8.190 nan 0.000 0.461 40 D N 0.617 121.016 120.400 -0.002 0.000 2.117 40 D HA -0.145 4.496 4.640 0.001 0.000 0.197 40 D C 1.890 178.218 176.300 0.047 0.000 0.987 40 D CA 1.986 56.006 54.000 0.032 0.000 0.829 40 D CB -0.271 40.522 40.800 -0.012 0.000 0.961 40 D HN 0.530 nan 8.370 nan 0.000 0.460 41 I N 0.170 120.756 120.570 0.028 0.000 2.226 41 I HA -0.239 3.931 4.170 0.001 0.000 0.245 41 I C 2.592 178.753 176.117 0.072 0.000 1.100 41 I CA 0.944 62.284 61.300 0.066 0.000 1.374 41 I CB -0.334 37.714 38.000 0.080 0.000 1.057 41 I HN 0.167 nan 8.210 nan 0.000 0.413 42 Q N 0.685 120.521 119.800 0.059 0.000 2.112 42 Q HA -0.228 4.112 4.340 0.001 0.000 0.206 42 Q C 2.232 178.284 176.000 0.086 0.000 0.987 42 Q CA 2.072 57.913 55.803 0.064 0.000 0.858 42 Q CB -0.354 28.413 28.738 0.049 0.000 0.905 42 Q HN 0.622 nan 8.270 nan 0.000 0.420 43 G N -0.534 108.322 108.800 0.093 0.000 2.418 43 G HA2 -0.234 3.726 3.960 0.001 0.000 0.217 43 G HA3 -0.234 3.726 3.960 0.001 0.000 0.217 43 G C 1.491 176.467 174.900 0.127 0.000 1.158 43 G CA 0.924 46.090 45.100 0.110 0.000 0.771 43 G HN 0.319 nan 8.290 nan 0.000 0.545 44 S N 0.333 116.102 115.700 0.115 0.000 2.368 44 S HA -0.059 4.411 4.470 0.001 0.000 0.225 44 S C 2.437 177.133 174.600 0.160 0.000 1.030 44 S CA 1.318 59.605 58.200 0.146 0.000 0.999 44 S CB -0.250 63.023 63.200 0.121 0.000 0.844 44 S HN 0.364 nan 8.310 nan 0.000 0.459 45 M N 1.168 120.839 119.600 0.118 0.000 2.080 45 M HA -0.143 4.337 4.480 0.001 0.000 0.260 45 M C 2.556 178.914 176.300 0.097 0.000 1.068 45 M CA 1.608 56.966 55.300 0.096 0.000 1.109 45 M CB -0.701 31.944 32.600 0.075 0.000 1.342 45 M HN 0.395 nan 8.290 nan 0.000 0.405 46 A N -0.430 122.455 122.820 0.108 0.000 1.883 46 A HA -0.249 4.071 4.320 0.001 0.000 0.217 46 A C 2.042 179.695 177.584 0.114 0.000 1.186 46 A CA 1.699 53.798 52.037 0.102 0.000 0.624 46 A CB -1.264 17.808 19.000 0.120 0.000 0.822 46 A HN 0.601 nan 8.150 nan 0.000 0.444 47 Y N 0.242 120.561 120.300 0.032 0.000 2.242 47 Y HA -0.060 4.491 4.550 0.001 0.000 0.291 47 Y C 2.654 178.567 175.900 0.021 0.000 1.137 47 Y CA 1.164 59.276 58.100 0.021 0.000 1.181 47 Y CB -0.229 38.245 38.460 0.023 0.000 0.989 47 Y HN 0.344 nan 8.280 nan 0.000 0.527 48 A N 0.271 123.148 122.820 0.094 0.000 1.902 48 A HA -0.203 4.117 4.320 0.001 0.000 0.217 48 A C 2.142 179.699 177.584 -0.044 0.000 1.181 48 A CA 1.930 53.982 52.037 0.025 0.000 0.623 48 A CB -0.493 18.550 19.000 0.071 0.000 0.818 48 A HN 0.485 nan 8.150 nan 0.000 0.443 49 K N -0.327 120.059 120.400 -0.025 0.000 2.097 49 K HA -0.027 4.294 4.320 0.001 0.000 0.206 49 K C 2.206 178.760 176.600 -0.077 0.000 1.049 49 K CA 1.071 57.338 56.287 -0.035 0.000 0.933 49 K CB -0.269 32.226 32.500 -0.009 0.000 0.717 49 K HN 0.449 nan 8.250 nan 0.000 0.442 50 A N 0.890 123.631 122.820 -0.130 0.000 1.929 50 A HA -0.097 4.223 4.320 0.001 0.000 0.216 50 A C 1.981 179.433 177.584 -0.220 0.000 1.176 50 A CA 0.894 52.828 52.037 -0.170 0.000 0.628 50 A CB -0.322 18.552 19.000 -0.210 0.000 0.816 50 A HN 0.096 nan 8.150 nan 0.000 0.444 51 L N 0.119 121.161 121.223 -0.301 0.000 2.012 51 L HA -0.166 4.174 4.340 0.001 0.000 0.210 51 L C 2.490 179.284 176.870 -0.127 0.000 1.073 51 L CA 2.201 56.889 54.840 -0.253 0.000 0.748 51 L CB -0.718 41.197 42.059 -0.241 0.000 0.891 51 L HN 0.523 nan 8.230 nan 0.000 0.431 52 E N 0.060 120.205 120.200 -0.092 0.000 2.031 52 E HA -0.295 4.055 4.350 0.001 0.000 0.193 52 E C 2.249 178.817 176.600 -0.053 0.000 0.994 52 E CA 1.580 57.948 56.400 -0.054 0.000 0.800 52 E CB -0.082 29.596 29.700 -0.036 0.000 0.752 52 E HN 0.469 nan 8.360 nan 0.000 0.447 53 K N 0.039 120.403 120.400 -0.060 0.000 2.152 53 K HA -0.114 4.207 4.320 0.001 0.000 0.206 53 K C 1.781 178.349 176.600 -0.053 0.000 1.048 53 K CA 1.339 57.596 56.287 -0.050 0.000 0.933 53 K CB -0.176 32.293 32.500 -0.051 0.000 0.721 53 K HN 0.099 nan 8.250 nan 0.000 0.447 54 A N 0.012 122.789 122.820 -0.071 0.000 2.238 54 A HA 0.186 4.506 4.320 0.001 0.000 0.208 54 A C 1.371 178.926 177.584 -0.048 0.000 1.177 54 A CA 0.853 52.852 52.037 -0.064 0.000 0.804 54 A CB -0.385 18.562 19.000 -0.088 0.000 0.823 54 A HN 0.591 nan 8.150 nan 0.000 0.482 55 G N -0.643 108.130 108.800 -0.045 0.000 2.143 55 G HA2 -0.249 3.712 3.960 0.001 0.000 0.249 55 G HA3 -0.249 3.712 3.960 0.001 0.000 0.249 55 G C 0.703 175.586 174.900 -0.028 0.000 0.981 55 G CA 0.394 45.475 45.100 -0.031 0.000 0.665 55 G HN 0.338 nan 8.290 nan 0.000 0.528 56 I N -0.209 120.339 120.570 -0.038 0.000 2.439 56 I HA 0.198 4.369 4.170 0.001 0.000 0.251 56 I C 1.533 177.640 176.117 -0.016 0.000 1.139 56 I CA 1.157 62.441 61.300 -0.028 0.000 1.438 56 I CB -0.710 37.266 38.000 -0.040 0.000 1.085 56 I HN 0.239 nan 8.210 nan 0.000 0.427 57 L N 0.274 121.484 121.223 -0.022 0.000 2.354 57 L HA 0.339 4.679 4.340 0.001 0.000 0.269 57 L C 0.501 177.365 176.870 -0.010 0.000 1.005 57 L CA -0.637 54.197 54.840 -0.010 0.000 0.819 57 L CB 1.982 44.035 42.059 -0.009 0.000 1.311 57 L HN 0.046 nan 8.230 nan 0.000 0.423 58 T N -2.655 111.897 114.554 -0.003 0.000 2.816 58 T HA 0.207 4.557 4.350 0.001 0.000 0.282 58 T C 0.899 175.598 174.700 -0.002 0.000 0.993 58 T CA -0.613 61.485 62.100 -0.003 0.000 0.994 58 T CB 1.586 70.454 68.868 0.000 0.000 1.025 58 T HN 0.588 nan 8.240 nan 0.000 0.529 59 K N 0.192 120.590 120.400 -0.003 0.000 2.032 59 K HA -0.134 4.187 4.320 0.001 0.000 0.209 59 K C 2.391 178.993 176.600 0.003 0.000 1.048 59 K CA 1.911 58.197 56.287 -0.001 0.000 0.927 59 K CB -0.721 31.779 32.500 -0.001 0.000 0.712 59 K HN 0.721 nan 8.250 nan 0.000 0.441 60 T N 0.912 115.468 114.554 0.004 0.000 2.788 60 T HA -0.123 4.227 4.350 0.001 0.000 0.268 60 T C 1.512 176.217 174.700 0.010 0.000 1.044 60 T CA 1.303 63.407 62.100 0.007 0.000 1.139 60 T CB -0.118 68.754 68.868 0.006 0.000 0.867 60 T HN 0.354 nan 8.240 nan 0.000 0.454 61 E N 0.449 120.655 120.200 0.009 0.000 2.077 61 E HA -0.105 4.246 4.350 0.001 0.000 0.193 61 E C 2.104 178.715 176.600 0.017 0.000 0.989 61 E CA 0.736 57.145 56.400 0.014 0.000 0.800 61 E CB -0.231 29.477 29.700 0.013 0.000 0.746 61 E HN 0.220 nan 8.360 nan 0.000 0.452 62 L N 1.620 122.850 121.223 0.012 0.000 1.989 62 L HA -0.212 4.128 4.340 0.001 0.000 0.211 62 L C 1.987 178.869 176.870 0.020 0.000 1.071 62 L CA 1.845 56.693 54.840 0.015 0.000 0.749 62 L CB -0.337 41.726 42.059 0.006 0.000 0.890 62 L HN -0.024 nan 8.230 nan 0.000 0.431 63 E N 0.169 120.379 120.200 0.016 0.000 2.070 63 E HA -0.241 4.110 4.350 0.001 0.000 0.197 63 E C 2.171 178.784 176.600 0.022 0.000 1.004 63 E CA 1.311 57.722 56.400 0.017 0.000 0.805 63 E CB -0.356 29.352 29.700 0.013 0.000 0.744 63 E HN 0.533 nan 8.360 nan 0.000 0.451 64 K N 0.347 120.760 120.400 0.021 0.000 2.002 64 K HA -0.104 4.216 4.320 0.001 0.000 0.209 64 K C 2.246 178.866 176.600 0.032 0.000 1.048 64 K CA 0.768 57.070 56.287 0.024 0.000 0.930 64 K CB -0.321 32.192 32.500 0.022 0.000 0.714 64 K HN 0.136 nan 8.250 nan 0.000 0.438 65 I N 1.740 122.332 120.570 0.037 0.000 2.099 65 I HA -0.286 3.885 4.170 0.001 0.000 0.239 65 I C 2.527 178.676 176.117 0.053 0.000 1.066 65 I CA 1.433 62.763 61.300 0.049 0.000 1.324 65 I CB -1.243 36.790 38.000 0.054 0.000 1.037 65 I HN 0.144 nan 8.210 nan 0.000 0.401 66 L N 0.067 121.318 121.223 0.047 0.000 2.042 66 L HA -0.233 4.108 4.340 0.001 0.000 0.210 66 L C 2.799 179.697 176.870 0.047 0.000 1.076 66 L CA 1.609 56.478 54.840 0.048 0.000 0.749 66 L CB -0.722 41.360 42.059 0.038 0.000 0.893 66 L HN 0.283 nan 8.230 nan 0.000 0.432 67 S N 0.160 115.884 115.700 0.039 0.000 2.356 67 S HA -0.140 4.331 4.470 0.001 0.000 0.223 67 S C 2.012 176.637 174.600 0.043 0.000 1.032 67 S CA 1.475 59.697 58.200 0.036 0.000 1.005 67 S CB -0.427 62.789 63.200 0.028 0.000 0.867 67 S HN 0.516 nan 8.310 nan 0.000 0.449 68 G N 1.430 110.257 108.800 0.046 0.000 2.418 68 G HA2 -0.079 3.881 3.960 0.001 0.000 0.217 68 G HA3 -0.079 3.881 3.960 0.001 0.000 0.217 68 G C 1.445 176.388 174.900 0.072 0.000 1.158 68 G CA 0.822 45.953 45.100 0.052 0.000 0.771 68 G HN 0.518 nan 8.290 nan 0.000 0.545 69 L N 0.152 121.422 121.223 0.079 0.000 2.083 69 L HA -0.079 4.261 4.340 0.001 0.000 0.209 69 L C 2.878 179.808 176.870 0.098 0.000 1.083 69 L CA 1.270 56.169 54.840 0.097 0.000 0.752 69 L CB -0.380 41.734 42.059 0.091 0.000 0.899 69 L HN 0.307 nan 8.230 nan 0.000 0.433 70 E N 0.008 120.254 120.200 0.077 0.000 2.106 70 E HA -0.208 4.142 4.350 0.001 0.000 0.192 70 E C 2.166 178.813 176.600 0.079 0.000 0.984 70 E CA 0.919 57.362 56.400 0.072 0.000 0.806 70 E CB 0.035 29.767 29.700 0.054 0.000 0.750 70 E HN 0.420 nan 8.360 nan 0.000 0.458 71 K N 0.587 121.030 120.400 0.071 0.000 2.057 71 K HA -0.115 4.205 4.320 0.001 0.000 0.207 71 K C 2.161 178.817 176.600 0.093 0.000 1.049 71 K CA 1.069 57.395 56.287 0.064 0.000 0.931 71 K CB -0.101 32.425 32.500 0.043 0.000 0.714 71 K HN 0.124 nan 8.250 nan 0.000 0.440 72 I N 0.548 121.196 120.570 0.130 0.000 2.179 72 I HA -0.304 3.866 4.170 0.001 0.000 0.242 72 I C 2.666 178.945 176.117 0.270 0.000 1.088 72 I CA 1.055 62.480 61.300 0.208 0.000 1.357 72 I CB -0.471 37.683 38.000 0.257 0.000 1.051 72 I HN 0.192 nan 8.210 nan 0.000 0.409 73 S N 0.646 116.483 115.700 0.227 0.000 2.365 73 S HA -0.253 4.218 4.470 0.001 0.000 0.225 73 S C 2.039 176.762 174.600 0.205 0.000 1.039 73 S CA 1.687 60.019 58.200 0.220 0.000 1.033 73 S CB -0.253 63.026 63.200 0.132 0.000 0.887 73 S HN 0.353 nan 8.310 nan 0.000 0.447 74 E N 0.967 121.253 120.200 0.144 0.000 2.077 74 E HA -0.112 4.238 4.350 0.001 0.000 0.193 74 E C 2.183 178.853 176.600 0.117 0.000 0.989 74 E CA 1.194 57.660 56.400 0.111 0.000 0.800 74 E CB -0.401 29.342 29.700 0.073 0.000 0.746 74 E HN 0.736 nan 8.360 nan 0.000 0.452 75 E N -0.435 119.833 120.200 0.113 0.000 2.031 75 E HA -0.191 4.159 4.350 0.001 0.000 0.193 75 E C 2.145 178.818 176.600 0.121 0.000 0.994 75 E CA 1.037 57.476 56.400 0.065 0.000 0.800 75 E CB -0.354 29.352 29.700 0.011 0.000 0.752 75 E HN 0.350 nan 8.360 nan 0.000 0.447 76 W N 1.104 122.492 121.300 0.147 0.000 2.335 76 W HA -0.227 4.433 4.660 0.001 0.000 0.311 76 W C 3.023 179.564 176.519 0.037 0.000 1.213 76 W CA 1.208 58.586 57.345 0.056 0.000 1.274 76 W CB -0.498 28.921 29.460 -0.069 0.000 1.148 76 W HN 0.049 nan 8.180 nan 0.000 0.498 77 S N 0.534 116.407 115.700 0.288 0.000 2.374 77 S HA -0.216 4.254 4.470 0.001 0.000 0.227 77 S C 1.579 176.254 174.600 0.125 0.000 1.037 77 S CA 1.648 59.948 58.200 0.166 0.000 1.024 77 S CB -0.277 62.997 63.200 0.123 0.000 0.861 77 S HN 0.245 nan 8.310 nan 0.000 0.456 78 K N -0.145 120.322 120.400 0.111 0.000 2.444 78 K HA 0.224 4.545 4.320 0.001 0.000 0.193 78 K C 1.130 177.774 176.600 0.074 0.000 1.024 78 K CA 0.477 56.809 56.287 0.075 0.000 1.077 78 K CB 0.018 32.548 32.500 0.051 0.000 0.833 78 K HN 0.498 nan 8.250 nan 0.000 0.517 79 G N 1.710 110.576 108.800 0.111 0.000 2.147 79 G HA2 -0.258 3.702 3.960 0.001 0.000 0.244 79 G HA3 -0.258 3.702 3.960 0.001 0.000 0.244 79 G C 0.624 175.558 174.900 0.057 0.000 1.005 79 G CA 0.456 45.620 45.100 0.106 0.000 0.713 79 G HN 0.312 nan 8.290 nan 0.000 0.515 80 V N -2.737 117.192 119.914 0.026 0.000 3.578 80 V HA 0.641 4.761 4.120 0.001 0.000 0.290 80 V C 1.101 177.121 176.094 -0.123 0.000 1.376 80 V CA 0.042 62.318 62.300 -0.039 0.000 1.083 80 V CB -0.362 31.434 31.823 -0.045 0.000 0.911 80 V HN 0.625 nan 8.190 nan 0.000 0.433 81 F N 2.300 122.044 119.950 -0.344 0.000 2.578 81 F HA 0.440 4.967 4.527 0.001 0.000 0.376 81 F C 0.315 175.833 175.800 -0.471 0.000 1.085 81 F CA 0.254 57.881 58.000 -0.623 0.000 1.260 81 F CB 1.347 39.451 39.000 -1.494 0.000 1.095 81 F HN 0.088 nan 8.300 nan 0.000 0.573 82 V N 8.209 127.656 119.914 -0.778 0.000 2.333 82 V HA 0.477 4.597 4.120 0.001 0.000 0.274 82 V C -0.713 175.181 176.094 -0.334 0.000 1.028 82 V CA -0.556 61.503 62.300 -0.401 0.000 0.851 82 V CB 0.890 32.521 31.823 -0.320 0.000 1.000 82 V HN 0.606 nan 8.190 nan 0.000 0.456 83 V N 7.044 126.963 119.914 0.009 0.000 2.811 83 V HA 0.429 4.550 4.120 0.001 0.000 0.302 83 V C 0.519 176.632 176.094 0.032 0.000 1.063 83 V CA -0.259 62.133 62.300 0.154 0.000 1.088 83 V CB 1.246 33.190 31.823 0.200 0.000 0.982 83 V HN 0.879 nan 8.190 nan 0.000 0.485 84 K N 2.349 122.778 120.400 0.049 0.000 2.267 84 K HA 0.318 4.639 4.320 0.001 0.000 0.246 84 K C 1.075 177.689 176.600 0.023 0.000 0.954 84 K CA -0.618 55.674 56.287 0.008 0.000 0.824 84 K CB 1.896 34.389 32.500 -0.012 0.000 1.167 84 K HN 0.768 nan 8.250 nan 0.000 0.431 85 Q N -0.009 119.797 119.800 0.009 0.000 2.248 85 Q HA -0.166 4.175 4.340 0.001 0.000 0.208 85 Q C 0.922 176.930 176.000 0.013 0.000 0.984 85 Q CA 2.179 57.989 55.803 0.011 0.000 0.875 85 Q CB -0.169 28.572 28.738 0.004 0.000 0.910 85 Q HN 0.537 nan 8.270 nan 0.000 0.433 86 S N 0.127 115.835 115.700 0.012 0.000 2.496 86 S HA -0.009 4.462 4.470 0.001 0.000 0.224 86 S C 0.247 174.859 174.600 0.020 0.000 0.996 86 S CA -0.048 58.160 58.200 0.013 0.000 0.927 86 S CB -0.050 63.155 63.200 0.009 0.000 0.774 86 S HN 0.200 nan 8.310 nan 0.000 0.524 87 D N 2.629 123.048 120.400 0.033 0.000 2.389 87 D HA 0.093 4.733 4.640 0.001 0.000 0.263 87 D C 0.849 177.158 176.300 0.015 0.000 1.255 87 D CA 0.268 54.293 54.000 0.042 0.000 0.914 87 D CB 0.819 41.672 40.800 0.088 0.000 1.116 87 D HN 0.514 nan 8.370 nan 0.000 0.502 88 E N 1.616 121.819 120.200 0.004 0.000 2.076 88 E HA -0.115 4.235 4.350 0.001 0.000 0.190 88 E C -0.175 176.397 176.600 -0.047 0.000 0.979 88 E CA 0.783 57.178 56.400 -0.009 0.000 0.807 88 E CB 0.470 30.173 29.700 0.006 0.000 0.761 88 E HN 0.626 nan 8.360 nan 0.000 0.454 89 D N -1.867 118.493 120.400 -0.066 0.000 2.752 89 D HA 0.042 4.682 4.640 0.001 0.000 0.313 89 D C 0.463 176.638 176.300 -0.208 0.000 1.225 89 D CA -0.693 53.208 54.000 -0.165 0.000 0.976 89 D CB 0.073 40.784 40.800 -0.149 0.000 1.443 89 D HN -0.072 nan 8.370 nan 0.000 0.515 90 I N -0.090 120.243 120.570 -0.395 0.000 2.361 90 I HA -0.137 4.033 4.170 0.001 0.000 0.251 90 I C 1.525 177.460 176.117 -0.303 0.000 1.133 90 I CA 1.738 62.813 61.300 -0.375 0.000 1.413 90 I CB -0.583 37.111 38.000 -0.510 0.000 1.073 90 I HN 0.492 nan 8.210 nan 0.000 0.424 91 H N -0.983 118.051 119.070 -0.059 0.000 2.357 91 H HA -0.082 4.474 4.556 0.001 0.000 0.301 91 H C 2.082 177.376 175.328 -0.055 0.000 1.082 91 H CA 1.834 57.845 56.048 -0.063 0.000 1.342 91 H CB -0.622 29.090 29.762 -0.083 0.000 1.389 91 H HN 0.260 nan 8.280 nan 0.000 0.511 92 T N 0.458 115.030 114.554 0.030 0.000 2.812 92 T HA -0.085 4.266 4.350 0.001 0.000 0.264 92 T C 2.390 177.126 174.700 0.060 0.000 1.042 92 T CA 0.915 63.026 62.100 0.018 0.000 1.140 92 T CB -0.381 68.494 68.868 0.012 0.000 0.870 92 T HN 0.485 nan 8.240 nan 0.000 0.445 93 A N 2.644 125.515 122.820 0.086 0.000 1.877 93 A HA -0.172 4.148 4.320 0.001 0.000 0.216 93 A C 2.282 180.041 177.584 0.291 0.000 1.186 93 A CA 1.566 53.732 52.037 0.215 0.000 0.620 93 A CB -0.681 18.475 19.000 0.261 0.000 0.822 93 A HN 0.362 nan 8.150 nan 0.000 0.443 94 N N -0.412 118.410 118.700 0.203 0.000 2.188 94 N HA -0.152 4.588 4.740 0.001 0.000 0.184 94 N C 1.748 177.359 175.510 0.168 0.000 1.018 94 N CA 1.443 54.629 53.050 0.227 0.000 0.858 94 N CB -0.373 38.208 38.487 0.155 0.000 0.989 94 N HN 0.785 nan 8.380 nan 0.000 0.426 95 E N 1.144 121.405 120.200 0.101 0.000 2.072 95 E HA -0.168 4.182 4.350 0.001 0.000 0.191 95 E C 2.079 178.717 176.600 0.063 0.000 0.985 95 E CA 0.630 57.063 56.400 0.055 0.000 0.801 95 E CB 0.088 29.778 29.700 -0.017 0.000 0.750 95 E HN 0.225 nan 8.360 nan 0.000 0.452 96 R N 0.292 120.837 120.500 0.075 0.000 2.081 96 R HA -0.121 4.219 4.340 0.001 0.000 0.235 96 R C 2.532 178.862 176.300 0.050 0.000 1.131 96 R CA 1.162 57.295 56.100 0.055 0.000 0.960 96 R CB -0.125 30.209 30.300 0.058 0.000 0.856 96 R HN 0.022 nan 8.270 nan 0.000 0.436 97 R N 0.738 121.297 120.500 0.099 0.000 2.115 97 R HA -0.078 4.262 4.340 0.001 0.000 0.226 97 R C 2.190 178.522 176.300 0.054 0.000 1.100 97 R CA 0.777 56.908 56.100 0.052 0.000 0.980 97 R CB -0.537 29.834 30.300 0.119 0.000 0.875 97 R HN 0.284 nan 8.270 nan 0.000 0.445 98 L N 1.414 122.688 121.223 0.085 0.000 2.056 98 L HA -0.112 4.228 4.340 0.001 0.000 0.207 98 L C 2.363 179.258 176.870 0.042 0.000 1.078 98 L CA 1.825 56.706 54.840 0.069 0.000 0.749 98 L CB -0.406 41.702 42.059 0.081 0.000 0.901 98 L HN -0.002 nan 8.230 nan 0.000 0.433 99 K N -0.469 119.952 120.400 0.036 0.000 2.057 99 K HA -0.211 4.110 4.320 0.001 0.000 0.207 99 K C 1.925 178.530 176.600 0.009 0.000 1.049 99 K CA 1.840 58.141 56.287 0.023 0.000 0.931 99 K CB -0.083 32.429 32.500 0.020 0.000 0.714 99 K HN 0.466 nan 8.250 nan 0.000 0.440 100 E N 0.281 120.480 120.200 -0.001 0.000 2.106 100 E HA -0.159 4.191 4.350 0.001 0.000 0.192 100 E C 2.019 178.608 176.600 -0.019 0.000 0.984 100 E CA 0.997 57.385 56.400 -0.021 0.000 0.806 100 E CB 0.050 29.721 29.700 -0.048 0.000 0.750 100 E HN 0.322 nan 8.360 nan 0.000 0.458 101 L N 0.405 121.623 121.223 -0.009 0.000 2.162 101 L HA 0.017 4.357 4.340 0.001 0.000 0.205 101 L C 2.357 179.229 176.870 0.004 0.000 1.086 101 L CA 0.752 55.589 54.840 -0.005 0.000 0.778 101 L CB -0.012 42.049 42.059 0.004 0.000 0.928 101 L HN 0.225 nan 8.230 nan 0.000 0.446 102 I N -4.309 116.268 120.570 0.013 0.000 4.154 102 I HA 0.497 4.667 4.170 0.001 0.000 0.334 102 I C 0.845 176.970 176.117 0.014 0.000 1.371 102 I CA 0.101 61.410 61.300 0.015 0.000 1.110 102 I CB 0.396 38.410 38.000 0.024 0.000 1.085 102 I HN 0.147 nan 8.210 nan 0.000 0.398 103 G N 2.270 111.077 108.800 0.012 0.000 2.698 103 G HA2 -0.283 3.678 3.960 0.001 0.000 0.225 103 G HA3 -0.283 3.678 3.960 0.001 0.000 0.225 103 G C -0.176 174.734 174.900 0.017 0.000 1.345 103 G CA 0.231 45.338 45.100 0.011 0.000 0.871 103 G HN 0.378 nan 8.290 nan 0.000 0.540 104 D N -0.500 119.909 120.400 0.015 0.000 2.191 104 D HA -0.189 4.452 4.640 0.001 0.000 0.195 104 D C 2.299 178.615 176.300 0.025 0.000 1.003 104 D CA 1.607 55.619 54.000 0.019 0.000 0.867 104 D CB -0.006 40.803 40.800 0.015 0.000 0.926 104 D HN 0.580 nan 8.370 nan 0.000 0.450 105 I N 0.165 120.749 120.570 0.025 0.000 2.423 105 I HA -0.296 3.875 4.170 0.001 0.000 0.254 105 I C 1.939 178.080 176.117 0.040 0.000 1.151 105 I CA 0.981 62.298 61.300 0.029 0.000 1.421 105 I CB 0.013 38.028 38.000 0.026 0.000 1.079 105 I HN 0.021 nan 8.210 nan 0.000 0.431 106 A N 0.626 123.471 122.820 0.041 0.000 2.070 106 A HA -0.108 4.213 4.320 0.001 0.000 0.220 106 A C 2.254 179.876 177.584 0.062 0.000 1.159 106 A CA 1.436 53.504 52.037 0.052 0.000 0.656 106 A CB -1.292 17.736 19.000 0.047 0.000 0.800 106 A HN 0.550 nan 8.150 nan 0.000 0.453 107 G N -0.483 108.350 108.800 0.055 0.000 2.534 107 G HA2 -0.127 3.834 3.960 0.001 0.000 0.217 107 G HA3 -0.127 3.834 3.960 0.001 0.000 0.217 107 G C 1.468 176.420 174.900 0.087 0.000 1.128 107 G CA 0.722 45.862 45.100 0.066 0.000 0.784 107 G HN 0.595 nan 8.290 nan 0.000 0.542 108 K N -0.454 119.992 120.400 0.078 0.000 2.432 108 K HA 0.138 4.458 4.320 0.001 0.000 0.196 108 K C 2.067 178.739 176.600 0.121 0.000 1.038 108 K CA -0.044 56.292 56.287 0.082 0.000 0.986 108 K CB 0.004 32.538 32.500 0.055 0.000 0.782 108 K HN 0.252 nan 8.250 nan 0.000 0.485 109 L N 0.487 121.795 121.223 0.142 0.000 2.141 109 L HA -0.141 4.199 4.340 0.001 0.000 0.209 109 L C 1.872 178.917 176.870 0.291 0.000 1.094 109 L CA 1.908 56.870 54.840 0.204 0.000 0.763 109 L CB -0.377 41.783 42.059 0.169 0.000 0.908 109 L HN 0.176 nan 8.230 nan 0.000 0.437 110 H N -0.961 118.165 119.070 0.094 0.000 2.547 110 H HA 0.169 4.726 4.556 0.001 0.000 0.266 110 H C 0.032 175.400 175.328 0.067 0.000 0.988 110 H CA 0.058 56.125 56.048 0.033 0.000 1.147 110 H CB -0.543 29.217 29.762 -0.003 0.000 1.365 110 H HN 0.217 nan 8.280 nan 0.000 0.589 111 T N 0.416 115.054 114.554 0.140 0.000 2.822 111 T HA 0.203 4.553 4.350 0.001 0.000 0.288 111 T C 1.345 176.105 174.700 0.100 0.000 0.991 111 T CA 0.934 63.085 62.100 0.085 0.000 1.176 111 T CB -0.051 68.872 68.868 0.092 0.000 0.951 111 T HN 0.649 nan 8.240 nan 0.000 0.526 112 G N 2.949 111.743 108.800 -0.011 0.000 2.166 112 G HA2 -0.293 3.668 3.960 0.001 0.000 0.260 112 G HA3 -0.293 3.668 3.960 0.001 0.000 0.260 112 G C 0.197 175.042 174.900 -0.092 0.000 0.986 112 G CA 0.426 45.524 45.100 -0.004 0.000 0.683 112 G HN 0.805 nan 8.290 nan 0.000 0.527 113 R N -0.077 120.214 120.500 -0.348 0.000 2.604 113 R HA 0.672 5.012 4.340 0.001 0.000 0.287 113 R C -0.334 175.538 176.300 -0.713 0.000 0.970 113 R CA 0.133 55.854 56.100 -0.631 0.000 0.946 113 R CB 1.443 31.216 30.300 -0.879 0.000 1.127 113 R HN 0.245 nan 8.270 nan 0.000 0.473 114 S N 0.994 116.439 115.700 -0.425 0.000 2.568 114 S HA 0.326 4.796 4.470 0.001 0.000 0.293 114 S C 0.595 175.095 174.600 -0.167 0.000 1.089 114 S CA -0.754 57.294 58.200 -0.254 0.000 0.945 114 S CB 1.682 64.759 63.200 -0.206 0.000 1.077 114 S HN 0.745 nan 8.310 nan 0.000 0.485 115 R N 1.655 122.080 120.500 -0.125 0.000 2.237 115 R HA -0.020 4.320 4.340 0.001 0.000 0.219 115 R C 1.129 177.227 176.300 -0.337 0.000 1.080 115 R CA 0.966 56.903 56.100 -0.272 0.000 0.995 115 R CB -0.275 29.889 30.300 -0.226 0.000 0.875 115 R HN 0.559 nan 8.270 nan 0.000 0.462 116 N N 1.223 119.730 118.700 -0.322 0.000 2.106 116 N HA -0.163 4.577 4.740 0.001 0.000 0.188 116 N C 1.296 176.706 175.510 -0.167 0.000 1.029 116 N CA 1.709 54.572 53.050 -0.312 0.000 0.848 116 N CB -0.343 37.954 38.487 -0.317 0.000 1.007 116 N HN 0.383 nan 8.380 nan 0.000 0.423 117 D N 0.091 120.389 120.400 -0.169 0.000 2.289 117 D HA -0.108 4.532 4.640 0.001 0.000 0.207 117 D C 1.696 177.903 176.300 -0.155 0.000 0.966 117 D CA 0.506 54.423 54.000 -0.138 0.000 0.868 117 D CB -0.476 40.242 40.800 -0.136 0.000 0.943 117 D HN 0.352 nan 8.370 nan 0.000 0.514 118 Q N 0.489 120.162 119.800 -0.213 0.000 2.079 118 Q HA -0.093 4.248 4.340 0.001 0.000 0.200 118 Q C 2.166 178.057 176.000 -0.181 0.000 0.974 118 Q CA 1.105 56.773 55.803 -0.225 0.000 0.840 118 Q CB 0.002 28.545 28.738 -0.325 0.000 0.898 118 Q HN 0.153 nan 8.270 nan 0.000 0.430 119 V N 0.457 120.238 119.914 -0.221 0.000 2.427 119 V HA -0.169 3.951 4.120 0.001 0.000 0.248 119 V C 2.197 178.336 176.094 0.076 0.000 1.051 119 V CA 1.730 64.022 62.300 -0.013 0.000 1.048 119 V CB -0.019 31.838 31.823 0.056 0.000 0.666 119 V HN 0.543 nan 8.190 nan 0.000 0.456 120 V N -2.869 117.072 119.914 0.044 0.000 2.871 120 V HA -0.104 4.016 4.120 0.001 0.000 0.256 120 V C 2.269 178.352 176.094 -0.020 0.000 1.082 120 V CA 2.122 64.463 62.300 0.068 0.000 1.105 120 V CB -1.361 30.495 31.823 0.054 0.000 0.713 120 V HN 0.521 nan 8.190 nan 0.000 0.473 121 T N 0.758 115.292 114.554 -0.033 0.000 2.737 121 T HA -0.132 4.219 4.350 0.001 0.000 0.265 121 T C 1.624 176.396 174.700 0.119 0.000 1.038 121 T CA 1.927 64.023 62.100 -0.007 0.000 1.144 121 T CB -0.437 68.412 68.868 -0.033 0.000 0.866 121 T HN 0.534 nan 8.240 nan 0.000 0.434 122 D N 1.057 121.523 120.400 0.109 0.000 2.092 122 D HA -0.058 4.582 4.640 0.001 0.000 0.193 122 D C 2.018 178.431 176.300 0.188 0.000 0.994 122 D CA 0.687 54.775 54.000 0.147 0.000 0.828 122 D CB -0.553 40.341 40.800 0.157 0.000 0.963 122 D HN 0.139 nan 8.370 nan 0.000 0.450 123 L N 1.111 122.444 121.223 0.182 0.000 2.083 123 L HA -0.130 4.210 4.340 0.001 0.000 0.209 123 L C 1.880 178.906 176.870 0.259 0.000 1.083 123 L CA 1.740 56.721 54.840 0.235 0.000 0.752 123 L CB -0.276 41.934 42.059 0.253 0.000 0.899 123 L HN -0.091 nan 8.230 nan 0.000 0.433 124 K N -0.891 119.592 120.400 0.139 0.000 2.097 124 K HA -0.113 4.207 4.320 0.001 0.000 0.205 124 K C 2.073 178.751 176.600 0.131 0.000 1.050 124 K CA 1.392 57.726 56.287 0.078 0.000 0.938 124 K CB -0.261 32.223 32.500 -0.028 0.000 0.718 124 K HN 0.328 nan 8.250 nan 0.000 0.442 125 L N -0.057 121.270 121.223 0.173 0.000 2.093 125 L HA -0.149 4.192 4.340 0.001 0.000 0.208 125 L C 2.333 179.227 176.870 0.040 0.000 1.085 125 L CA 0.929 55.788 54.840 0.031 0.000 0.755 125 L CB -0.319 41.780 42.059 0.068 0.000 0.904 125 L HN 0.111 nan 8.230 nan 0.000 0.435 126 F N 0.251 120.209 119.950 0.014 0.000 2.146 126 F HA -0.199 4.328 4.527 0.001 0.000 0.298 126 F C 2.414 178.211 175.800 -0.006 0.000 1.096 126 F CA 1.450 59.464 58.000 0.024 0.000 1.275 126 F CB -0.089 38.974 39.000 0.105 0.000 1.008 126 F HN -0.077 nan 8.300 nan 0.000 0.480 127 M N 0.148 119.790 119.600 0.070 0.000 2.175 127 M HA -0.192 4.288 4.480 0.001 0.000 0.264 127 M C 2.336 178.518 176.300 -0.196 0.000 1.063 127 M CA 1.706 56.942 55.300 -0.108 0.000 1.119 127 M CB -0.447 32.155 32.600 0.004 0.000 1.377 127 M HN 0.100 nan 8.290 nan 0.000 0.415 128 K N 0.682 120.996 120.400 -0.143 0.000 2.057 128 K HA -0.211 4.110 4.320 0.001 0.000 0.207 128 K C 1.798 178.281 176.600 -0.195 0.000 1.049 128 K CA 1.571 57.761 56.287 -0.162 0.000 0.931 128 K CB -0.242 32.140 32.500 -0.196 0.000 0.714 128 K HN 0.361 nan 8.250 nan 0.000 0.440 129 N N -0.150 118.408 118.700 -0.236 0.000 2.142 129 N HA -0.118 4.622 4.740 0.001 0.000 0.186 129 N C 1.531 176.877 175.510 -0.275 0.000 1.023 129 N CA 1.359 54.263 53.050 -0.242 0.000 0.852 129 N CB 0.024 38.361 38.487 -0.250 0.000 0.998 129 N HN 0.093 nan 8.380 nan 0.000 0.424 130 S N 0.845 116.302 115.700 -0.404 0.000 2.368 130 S HA -0.058 4.413 4.470 0.001 0.000 0.225 130 S C 1.918 176.427 174.600 -0.150 0.000 1.030 130 S CA 0.632 58.628 58.200 -0.340 0.000 0.999 130 S CB -0.177 62.736 63.200 -0.479 0.000 0.844 130 S HN 0.201 nan 8.310 nan 0.000 0.459 131 L N 1.358 122.491 121.223 -0.150 0.000 2.131 131 L HA -0.003 4.338 4.340 0.001 0.000 0.210 131 L C 2.552 179.380 176.870 -0.071 0.000 1.092 131 L CA 1.310 56.111 54.840 -0.065 0.000 0.759 131 L CB -1.108 40.896 42.059 -0.091 0.000 0.903 131 L HN 0.266 nan 8.230 nan 0.000 0.435 132 S N -0.695 114.940 115.700 -0.108 0.000 2.368 132 S HA -0.128 4.343 4.470 0.001 0.000 0.225 132 S C 2.056 176.589 174.600 -0.111 0.000 1.030 132 S CA 1.144 59.281 58.200 -0.105 0.000 0.999 132 S CB -0.172 62.958 63.200 -0.117 0.000 0.844 132 S HN 0.364 nan 8.310 nan 0.000 0.459 133 I N 0.948 121.447 120.570 -0.118 0.000 2.252 133 I HA -0.137 4.033 4.170 0.001 0.000 0.245 133 I C 2.118 178.147 176.117 -0.147 0.000 1.102 133 I CA 1.138 62.343 61.300 -0.158 0.000 1.385 133 I CB -0.342 37.602 38.000 -0.094 0.000 1.064 133 I HN 0.315 nan 8.210 nan 0.000 0.414 134 I N 0.054 120.636 120.570 0.020 0.000 2.286 134 I HA -0.319 3.851 4.170 0.001 0.000 0.248 134 I C 2.804 178.980 176.117 0.098 0.000 1.115 134 I CA 1.409 62.801 61.300 0.153 0.000 1.392 134 I CB -0.354 37.802 38.000 0.259 0.000 1.065 134 I HN 0.242 nan 8.210 nan 0.000 0.418 135 S N 0.340 116.051 115.700 0.018 0.000 2.359 135 S HA -0.228 4.243 4.470 0.001 0.000 0.224 135 S C 2.100 176.687 174.600 -0.021 0.000 1.035 135 S CA 2.413 60.612 58.200 -0.001 0.000 1.018 135 S CB -0.437 62.737 63.200 -0.043 0.000 0.876 135 S HN 0.438 nan 8.310 nan 0.000 0.448 136 T N 0.907 115.399 114.554 -0.103 0.000 2.684 136 T HA -0.125 4.225 4.350 0.001 0.000 0.267 136 T C 1.464 176.118 174.700 -0.076 0.000 1.036 136 T CA 2.030 64.046 62.100 -0.140 0.000 1.148 136 T CB -0.658 68.052 68.868 -0.263 0.000 0.863 136 T HN 0.709 nan 8.240 nan 0.000 0.436 137 H N 0.053 119.144 119.070 0.035 0.000 2.389 137 H HA 0.160 4.716 4.556 0.001 0.000 0.299 137 H C 2.342 177.695 175.328 0.040 0.000 1.081 137 H CA 0.656 56.726 56.048 0.038 0.000 1.345 137 H CB -0.046 29.743 29.762 0.046 0.000 1.393 137 H HN 0.135 nan 8.280 nan 0.000 0.520 138 L N 0.404 121.729 121.223 0.171 0.000 2.027 138 L HA -0.170 4.171 4.340 0.001 0.000 0.206 138 L C 1.762 178.682 176.870 0.083 0.000 1.074 138 L CA 0.774 55.692 54.840 0.129 0.000 0.745 138 L CB -0.062 42.092 42.059 0.157 0.000 0.898 138 L HN 0.340 nan 8.230 nan 0.000 0.433 139 L N -0.333 120.927 121.223 0.061 0.000 2.131 139 L HA -0.224 4.117 4.340 0.001 0.000 0.210 139 L C 2.480 179.371 176.870 0.036 0.000 1.092 139 L CA 1.460 56.322 54.840 0.036 0.000 0.759 139 L CB -1.363 40.706 42.059 0.017 0.000 0.903 139 L HN 0.399 nan 8.230 nan 0.000 0.435 140 Q N 0.135 119.967 119.800 0.052 0.000 2.084 140 Q HA -0.168 4.172 4.340 0.001 0.000 0.202 140 Q C 2.249 178.273 176.000 0.040 0.000 0.978 140 Q CA 1.445 57.280 55.803 0.053 0.000 0.844 140 Q CB -0.371 28.420 28.738 0.088 0.000 0.898 140 Q HN 0.417 nan 8.270 nan 0.000 0.426 141 L N -0.354 120.895 121.223 0.042 0.000 2.017 141 L HA -0.181 4.159 4.340 0.001 0.000 0.208 141 L C 2.184 179.056 176.870 0.002 0.000 1.073 141 L CA 1.527 56.375 54.840 0.013 0.000 0.745 141 L CB -0.341 41.726 42.059 0.013 0.000 0.894 141 L HN 0.352 nan 8.230 nan 0.000 0.432 142 I N -0.059 120.517 120.570 0.011 0.000 2.163 142 I HA -0.379 3.791 4.170 0.001 0.000 0.243 142 I C 2.653 178.767 176.117 -0.005 0.000 1.085 142 I CA 1.510 62.809 61.300 -0.002 0.000 1.347 142 I CB -0.420 37.584 38.000 0.006 0.000 1.044 142 I HN 0.299 nan 8.210 nan 0.000 0.408 143 K N 0.616 121.020 120.400 0.006 0.000 2.103 143 K HA -0.185 4.135 4.320 0.001 0.000 0.207 143 K C 2.052 178.657 176.600 0.009 0.000 1.048 143 K CA 1.982 58.274 56.287 0.008 0.000 0.930 143 K CB -0.081 32.428 32.500 0.015 0.000 0.716 143 K HN 0.277 nan 8.250 nan 0.000 0.444 144 T N 1.824 116.384 114.554 0.010 0.000 2.746 144 T HA -0.112 4.239 4.350 0.001 0.000 0.267 144 T C 1.844 176.548 174.700 0.007 0.000 1.039 144 T CA 1.258 63.366 62.100 0.013 0.000 1.142 144 T CB -0.117 68.756 68.868 0.009 0.000 0.866 144 T HN 0.151 nan 8.240 nan 0.000 0.444 145 L N 0.637 121.852 121.223 -0.013 0.000 2.017 145 L HA -0.080 4.260 4.340 0.001 0.000 0.208 145 L C 2.687 179.538 176.870 -0.031 0.000 1.073 145 L CA 0.900 55.720 54.840 -0.033 0.000 0.745 145 L CB -0.646 41.376 42.059 -0.062 0.000 0.894 145 L HN 0.132 nan 8.230 nan 0.000 0.432 146 V N -0.334 119.565 119.914 -0.025 0.000 2.343 146 V HA -0.273 3.847 4.120 0.001 0.000 0.247 146 V C 2.385 178.480 176.094 0.001 0.000 1.051 146 V CA 1.793 64.081 62.300 -0.020 0.000 1.036 146 V CB -0.528 31.286 31.823 -0.016 0.000 0.654 146 V HN 0.453 nan 8.190 nan 0.000 0.451 147 E N -0.096 120.111 120.200 0.012 0.000 2.077 147 E HA -0.273 4.077 4.350 0.001 0.000 0.193 147 E C 2.436 179.061 176.600 0.042 0.000 0.989 147 E CA 1.416 57.832 56.400 0.027 0.000 0.800 147 E CB -0.205 29.513 29.700 0.030 0.000 0.746 147 E HN 0.455 nan 8.360 nan 0.000 0.452 148 R N 0.619 121.148 120.500 0.049 0.000 2.096 148 R HA -0.116 4.224 4.340 0.001 0.000 0.235 148 R C 2.256 178.609 176.300 0.087 0.000 1.127 148 R CA 1.193 57.345 56.100 0.087 0.000 0.968 148 R CB -0.158 30.209 30.300 0.112 0.000 0.861 148 R HN 0.125 nan 8.270 nan 0.000 0.440 149 A N 0.677 123.514 122.820 0.028 0.000 1.940 149 A HA -0.135 4.185 4.320 0.001 0.000 0.219 149 A C 2.337 179.947 177.584 0.045 0.000 1.176 149 A CA 1.718 53.759 52.037 0.007 0.000 0.631 149 A CB -0.785 18.189 19.000 -0.042 0.000 0.814 149 A HN 0.533 nan 8.150 nan 0.000 0.446 150 A N -0.032 122.812 122.820 0.040 0.000 1.902 150 A HA -0.084 4.237 4.320 0.001 0.000 0.217 150 A C 2.132 179.752 177.584 0.060 0.000 1.181 150 A CA 1.559 53.621 52.037 0.043 0.000 0.623 150 A CB -0.587 18.433 19.000 0.033 0.000 0.818 150 A HN 0.509 nan 8.150 nan 0.000 0.443 151 I N -0.604 120.010 120.570 0.073 0.000 2.202 151 I HA -0.192 3.978 4.170 0.001 0.000 0.242 151 I C 1.555 177.734 176.117 0.103 0.000 1.091 151 I CA 1.359 62.708 61.300 0.082 0.000 1.368 151 I CB -0.325 37.727 38.000 0.087 0.000 1.058 151 I HN 0.361 nan 8.210 nan 0.000 0.410 152 E N 0.679 120.970 120.200 0.152 0.000 2.370 152 E HA 0.100 4.450 4.350 0.001 0.000 0.194 152 E C 1.643 178.365 176.600 0.204 0.000 1.057 152 E CA -0.166 56.355 56.400 0.203 0.000 1.011 152 E CB 0.258 30.171 29.700 0.355 0.000 1.132 152 E HN 0.470 nan 8.360 nan 0.000 0.450 153 I N 1.039 121.689 120.570 0.134 0.000 2.700 153 I HA -0.231 3.940 4.170 0.001 0.000 0.261 153 I C 0.825 177.005 176.117 0.104 0.000 1.219 153 I CA 1.182 62.548 61.300 0.110 0.000 1.463 153 I CB 0.306 38.350 38.000 0.074 0.000 1.092 153 I HN 0.037 nan 8.210 nan 0.000 0.452 154 D N 0.164 120.622 120.400 0.096 0.000 2.350 154 D HA 0.099 4.740 4.640 0.001 0.000 0.213 154 D C 0.546 176.891 176.300 0.074 0.000 1.031 154 D CA 0.276 54.322 54.000 0.076 0.000 0.861 154 D CB 0.300 41.135 40.800 0.058 0.000 0.926 154 D HN 0.099 nan 8.370 nan 0.000 0.520 155 V N 1.996 121.969 119.914 0.099 0.000 2.555 155 V HA 0.162 4.282 4.120 0.001 0.000 0.286 155 V C 0.584 176.723 176.094 0.076 0.000 1.044 155 V CA 0.007 62.344 62.300 0.061 0.000 1.026 155 V CB 1.213 33.062 31.823 0.044 0.000 0.981 155 V HN -0.060 nan 8.190 nan 0.000 0.480 156 I N 5.912 126.476 120.570 -0.010 0.000 2.608 156 I HA 0.705 4.876 4.170 0.001 0.000 0.295 156 I C -0.409 175.610 176.117 -0.163 0.000 1.049 156 I CA -0.589 60.693 61.300 -0.029 0.000 1.063 156 I CB 1.910 39.908 38.000 -0.003 0.000 1.248 156 I HN 0.603 nan 8.210 nan 0.000 0.424 157 L N 3.612 124.721 121.223 -0.190 0.000 2.801 157 L HA 0.784 5.125 4.340 0.001 0.000 0.264 157 L C -3.075 173.626 176.870 -0.281 0.000 1.086 157 L CA -2.058 52.563 54.840 -0.366 0.000 0.920 157 L CB 1.963 43.666 42.059 -0.593 0.000 1.529 157 L HN 0.149 nan 8.230 nan 0.000 0.399 158 P HA 0.314 nan 4.420 nan 0.000 0.275 158 P C -0.605 176.557 177.300 -0.229 0.000 1.228 158 P CA 0.022 62.933 63.100 -0.315 0.000 0.786 158 P CB 1.030 32.453 31.700 -0.462 0.000 0.927 159 G N 1.395 110.075 108.800 -0.200 0.000 2.371 159 G HA2 0.528 4.489 3.960 0.001 0.000 0.326 159 G HA3 0.528 4.489 3.960 0.001 0.000 0.326 159 G C -1.569 173.263 174.900 -0.113 0.000 1.127 159 G CA -0.197 44.895 45.100 -0.013 0.000 0.885 159 G HN 0.307 nan 8.290 nan 0.000 0.477 160 Y N 0.049 120.444 120.300 0.158 0.000 2.487 160 Y HA 0.663 5.214 4.550 0.001 0.000 0.337 160 Y C 0.693 176.658 175.900 0.109 0.000 1.076 160 Y CA -0.738 57.461 58.100 0.165 0.000 1.115 160 Y CB 2.782 41.392 38.460 0.249 0.000 1.235 160 Y HN 0.642 nan 8.280 nan 0.000 0.468 161 T N -0.954 113.752 114.554 0.253 0.000 2.991 161 T HA 0.329 4.679 4.350 0.001 0.000 0.303 161 T C -0.831 173.960 174.700 0.153 0.000 1.015 161 T CA -0.747 61.398 62.100 0.074 0.000 1.007 161 T CB 0.716 69.590 68.868 0.009 0.000 1.034 161 T HN 0.908 nan 8.240 nan 0.000 0.446 162 H N 2.430 121.593 119.070 0.155 0.000 2.936 162 H HA -0.134 4.423 4.556 0.001 0.000 0.276 162 H C 0.979 176.409 175.328 0.170 0.000 1.216 162 H CA 0.696 56.823 56.048 0.131 0.000 1.132 162 H CB -1.465 28.363 29.762 0.110 0.000 1.303 162 H HN 0.880 nan 8.280 nan 0.000 0.370 163 L N -1.510 119.891 121.223 0.296 0.000 4.001 163 L HA -0.287 4.054 4.340 0.001 0.000 0.413 163 L C 0.012 177.172 176.870 0.483 0.000 1.185 163 L CA 1.218 56.250 54.840 0.320 0.000 0.963 163 L CB -0.434 41.738 42.059 0.188 0.000 1.976 163 L HN 0.339 nan 8.230 nan 0.000 0.939 164 Q N 0.166 120.271 119.800 0.509 0.000 2.377 164 Q HA 0.405 4.745 4.340 0.001 0.000 0.271 164 Q C -0.143 175.997 176.000 0.234 0.000 1.077 164 Q CA -0.691 55.338 55.803 0.376 0.000 0.820 164 Q CB 1.956 30.838 28.738 0.240 0.000 1.347 164 Q HN 0.131 nan 8.270 nan 0.000 0.444 165 K N 0.934 121.341 120.400 0.011 0.000 2.436 165 K HA 0.201 4.521 4.320 0.001 0.000 0.282 165 K C 0.327 176.858 176.600 -0.115 0.000 1.044 165 K CA 0.145 56.259 56.287 -0.287 0.000 1.028 165 K CB 0.661 33.036 32.500 -0.209 0.000 0.919 165 K HN 0.668 nan 8.250 nan 0.000 0.474 166 A N 4.049 126.788 122.820 -0.136 0.000 2.106 166 A HA 0.030 4.351 4.320 0.001 0.000 0.218 166 A C 0.053 177.626 177.584 -0.019 0.000 1.718 166 A CA 0.430 52.455 52.037 -0.020 0.000 0.768 166 A CB 0.245 19.255 19.000 0.016 0.000 1.321 166 A HN 0.766 nan 8.150 nan 0.000 0.567 167 Q N -0.899 118.874 119.800 -0.045 0.000 2.501 167 Q HA 0.562 4.902 4.340 0.001 0.000 0.288 167 Q C -3.161 172.813 176.000 -0.042 0.000 1.051 167 Q CA -2.376 53.423 55.803 -0.007 0.000 0.788 167 Q CB 1.522 30.279 28.738 0.031 0.000 1.469 167 Q HN 0.058 nan 8.270 nan 0.000 0.416 168 P HA 0.210 nan 4.420 nan 0.000 0.271 168 P C -0.759 176.537 177.300 -0.006 0.000 1.216 168 P CA 0.103 63.199 63.100 -0.007 0.000 0.776 168 P CB 0.377 32.148 31.700 0.119 0.000 0.881 169 I N -1.769 118.789 120.570 -0.020 0.000 3.095 169 I HA 0.596 4.766 4.170 0.001 0.000 0.310 169 I C -0.635 175.510 176.117 0.045 0.000 1.196 169 I CA -1.646 59.655 61.300 0.001 0.000 0.985 169 I CB 2.364 40.366 38.000 0.002 0.000 1.250 169 I HN 0.022 nan 8.210 nan 0.000 0.446 170 R N 2.040 122.583 120.500 0.072 0.000 2.441 170 R HA 0.119 4.459 4.340 0.001 0.000 0.284 170 R C 0.572 176.978 176.300 0.176 0.000 1.070 170 R CA -0.409 55.759 56.100 0.113 0.000 1.047 170 R CB 1.120 31.480 30.300 0.099 0.000 1.016 170 R HN 0.890 nan 8.270 nan 0.000 0.477 171 W N 3.150 124.458 121.300 0.013 0.000 2.350 171 W HA -0.208 4.452 4.660 0.000 0.000 0.289 171 W C 0.628 177.246 176.519 0.166 0.000 1.215 171 W CA 1.508 58.885 57.345 0.054 0.000 1.236 171 W CB 0.101 29.554 29.460 -0.012 0.000 1.130 171 W HN 0.503 nan 8.180 nan 0.000 0.541 172 S N 0.699 116.425 115.700 0.043 0.000 2.402 172 S HA -0.281 4.189 4.470 0.001 0.000 0.229 172 S C 1.554 176.100 174.600 -0.090 0.000 1.021 172 S CA 1.794 59.942 58.200 -0.087 0.000 0.974 172 S CB -0.474 62.736 63.200 0.017 0.000 0.800 172 S HN 0.319 nan 8.310 nan 0.000 0.484 173 Q N 0.969 120.760 119.800 -0.015 0.000 2.096 173 Q HA -0.110 4.231 4.340 0.001 0.000 0.204 173 Q C 1.738 177.700 176.000 -0.063 0.000 0.982 173 Q CA 1.612 57.398 55.803 -0.029 0.000 0.850 173 Q CB -0.550 28.191 28.738 0.006 0.000 0.901 173 Q HN 0.574 nan 8.270 nan 0.000 0.422 174 F N -0.219 119.629 119.950 -0.171 0.000 2.102 174 F HA -0.125 4.402 4.527 0.001 0.000 0.298 174 F C 1.498 177.151 175.800 -0.245 0.000 1.105 174 F CA 1.339 59.230 58.000 -0.182 0.000 1.239 174 F CB -0.205 38.731 39.000 -0.107 0.000 0.991 174 F HN 0.109 nan 8.300 nan 0.000 0.474 175 L N 0.034 121.015 121.223 -0.404 0.000 2.046 175 L HA -0.232 4.108 4.340 0.001 0.000 0.208 175 L C 2.492 179.175 176.870 -0.313 0.000 1.077 175 L CA 1.258 55.844 54.840 -0.423 0.000 0.747 175 L CB -0.793 41.037 42.059 -0.381 0.000 0.896 175 L HN 0.246 nan 8.230 nan 0.000 0.432 176 L N -0.460 120.613 121.223 -0.250 0.000 2.201 176 L HA -0.161 4.179 4.340 0.001 0.000 0.212 176 L C 2.853 179.575 176.870 -0.246 0.000 1.105 176 L CA 1.207 55.932 54.840 -0.191 0.000 0.775 176 L CB -0.524 41.458 42.059 -0.129 0.000 0.913 176 L HN 0.401 nan 8.230 nan 0.000 0.440 177 S N -1.469 114.014 115.700 -0.360 0.000 2.382 177 S HA -0.211 4.260 4.470 0.001 0.000 0.228 177 S C 1.932 176.221 174.600 -0.518 0.000 1.027 177 S CA 0.875 58.817 58.200 -0.431 0.000 0.991 177 S CB -0.527 62.365 63.200 -0.513 0.000 0.823 177 S HN 0.455 nan 8.310 nan 0.000 0.469 178 H N 1.793 120.618 119.070 -0.408 0.000 2.363 178 H HA 0.234 4.791 4.556 0.001 0.000 0.301 178 H C 2.729 177.893 175.328 -0.273 0.000 1.074 178 H CA 1.266 57.092 56.048 -0.369 0.000 1.354 178 H CB -0.865 28.650 29.762 -0.412 0.000 1.397 178 H HN 0.589 nan 8.280 nan 0.000 0.516 179 A N 0.907 123.651 122.820 -0.128 0.000 1.883 179 A HA -0.138 4.183 4.320 0.001 0.000 0.217 179 A C 2.846 180.367 177.584 -0.104 0.000 1.186 179 A CA 1.769 53.748 52.037 -0.097 0.000 0.624 179 A CB -0.950 17.997 19.000 -0.088 0.000 0.822 179 A HN 0.201 nan 8.150 nan 0.000 0.444 180 V N -0.183 119.649 119.914 -0.137 0.000 2.287 180 V HA -0.276 3.844 4.120 0.001 0.000 0.248 180 V C 3.082 179.094 176.094 -0.137 0.000 1.053 180 V CA 2.085 64.312 62.300 -0.120 0.000 1.027 180 V CB -1.275 30.469 31.823 -0.131 0.000 0.646 180 V HN 0.637 nan 8.190 nan 0.000 0.447 181 A N -0.421 122.255 122.820 -0.239 0.000 1.908 181 A HA -0.176 4.144 4.320 0.001 0.000 0.218 181 A C 2.191 179.652 177.584 -0.205 0.000 1.181 181 A CA 1.857 53.672 52.037 -0.371 0.000 0.627 181 A CB -0.574 17.923 19.000 -0.838 0.000 0.818 181 A HN 0.524 nan 8.150 nan 0.000 0.445 182 L N -0.874 120.277 121.223 -0.120 0.000 2.201 182 L HA -0.124 4.217 4.340 0.001 0.000 0.212 182 L C 2.609 179.518 176.870 0.065 0.000 1.105 182 L CA 1.476 56.342 54.840 0.042 0.000 0.775 182 L CB -0.649 41.423 42.059 0.022 0.000 0.913 182 L HN 0.322 nan 8.230 nan 0.000 0.440 183 T N -0.728 113.836 114.554 0.016 0.000 2.867 183 T HA -0.123 4.228 4.350 0.001 0.000 0.268 183 T C 2.010 176.740 174.700 0.049 0.000 1.057 183 T CA 1.018 63.133 62.100 0.025 0.000 1.136 183 T CB -0.078 68.787 68.868 -0.005 0.000 0.874 183 T HN 0.306 nan 8.240 nan 0.000 0.466 184 R N 0.855 121.389 120.500 0.057 0.000 2.115 184 R HA -0.018 4.322 4.340 0.001 0.000 0.226 184 R C 1.962 178.348 176.300 0.142 0.000 1.100 184 R CA 1.033 57.183 56.100 0.083 0.000 0.980 184 R CB -0.132 30.218 30.300 0.084 0.000 0.875 184 R HN 0.358 nan 8.270 nan 0.000 0.445 185 D N 0.046 120.565 120.400 0.198 0.000 2.144 185 D HA -0.121 4.519 4.640 0.001 0.000 0.200 185 D C 1.822 178.308 176.300 0.310 0.000 0.978 185 D CA 1.176 55.351 54.000 0.291 0.000 0.833 185 D CB -0.154 40.813 40.800 0.278 0.000 0.961 185 D HN 0.028 nan 8.370 nan 0.000 0.470 186 S N 0.316 116.127 115.700 0.185 0.000 2.368 186 S HA -0.198 4.273 4.470 0.001 0.000 0.225 186 S C 1.854 176.472 174.600 0.029 0.000 1.030 186 S CA 1.364 59.622 58.200 0.096 0.000 0.999 186 S CB -0.043 63.196 63.200 0.066 0.000 0.844 186 S HN 0.214 nan 8.310 nan 0.000 0.459 187 E N 0.286 120.513 120.200 0.045 0.000 2.085 187 E HA -0.160 4.191 4.350 0.001 0.000 0.194 187 E C 2.425 179.032 176.600 0.012 0.000 0.994 187 E CA 1.007 57.420 56.400 0.021 0.000 0.801 187 E CB -0.059 29.660 29.700 0.031 0.000 0.743 187 E HN 0.454 nan 8.360 nan 0.000 0.453 188 R N 0.258 120.788 120.500 0.051 0.000 2.096 188 R HA -0.118 4.222 4.340 0.001 0.000 0.235 188 R C 2.639 178.890 176.300 -0.082 0.000 1.127 188 R CA 1.093 57.224 56.100 0.052 0.000 0.968 188 R CB -0.390 30.017 30.300 0.177 0.000 0.861 188 R HN 0.302 nan 8.270 nan 0.000 0.440 189 L N 0.154 121.222 121.223 -0.257 0.000 2.042 189 L HA -0.127 4.213 4.340 0.001 0.000 0.210 189 L C 2.178 178.896 176.870 -0.253 0.000 1.076 189 L CA 1.826 56.314 54.840 -0.586 0.000 0.749 189 L CB -0.618 41.039 42.059 -0.670 0.000 0.893 189 L HN 0.286 nan 8.230 nan 0.000 0.432 190 G N -0.904 107.814 108.800 -0.136 0.000 2.422 190 G HA2 -0.250 3.710 3.960 0.001 0.000 0.218 190 G HA3 -0.250 3.710 3.960 0.001 0.000 0.218 190 G C 1.311 176.182 174.900 -0.049 0.000 1.146 190 G CA 0.778 45.832 45.100 -0.077 0.000 0.769 190 G HN 0.497 nan 8.290 nan 0.000 0.547 191 E N -0.145 120.035 120.200 -0.034 0.000 2.072 191 E HA -0.059 4.292 4.350 0.001 0.000 0.191 191 E C 2.728 179.332 176.600 0.007 0.000 0.985 191 E CA 0.838 57.236 56.400 -0.004 0.000 0.801 191 E CB -0.089 29.619 29.700 0.013 0.000 0.750 191 E HN 0.279 nan 8.360 nan 0.000 0.452 192 V N 1.567 121.478 119.914 -0.005 0.000 2.295 192 V HA -0.277 3.843 4.120 0.001 0.000 0.246 192 V C 2.348 178.464 176.094 0.037 0.000 1.049 192 V CA 1.781 64.106 62.300 0.041 0.000 1.024 192 V CB -0.416 31.437 31.823 0.050 0.000 0.648 192 V HN 0.197 nan 8.190 nan 0.000 0.447 193 K N 0.060 120.449 120.400 -0.018 0.000 2.063 193 K HA -0.240 4.080 4.320 0.001 0.000 0.208 193 K C 2.291 178.891 176.600 -0.000 0.000 1.048 193 K CA 1.625 57.899 56.287 -0.022 0.000 0.928 193 K CB -0.134 32.330 32.500 -0.061 0.000 0.713 193 K HN 0.381 nan 8.250 nan 0.000 0.442 194 K N 0.156 120.557 120.400 0.002 0.000 2.044 194 K HA -0.179 4.141 4.320 0.001 0.000 0.210 194 K C 2.205 178.824 176.600 0.033 0.000 1.049 194 K CA 1.598 57.893 56.287 0.013 0.000 0.927 194 K CB -0.144 32.362 32.500 0.011 0.000 0.713 194 K HN 0.184 nan 8.250 nan 0.000 0.443 195 R N 0.343 120.870 120.500 0.045 0.000 2.235 195 R HA 0.049 4.389 4.340 0.001 0.000 0.213 195 R C 2.204 178.536 176.300 0.054 0.000 1.059 195 R CA 0.522 56.656 56.100 0.056 0.000 0.997 195 R CB -0.038 30.309 30.300 0.078 0.000 0.884 195 R HN 0.219 nan 8.270 nan 0.000 0.462 196 I N 0.560 121.167 120.570 0.062 0.000 2.500 196 I HA -0.161 4.009 4.170 0.001 0.000 0.252 196 I C 1.082 177.250 176.117 0.085 0.000 1.142 196 I CA 0.536 61.856 61.300 0.034 0.000 1.451 196 I CB -0.030 38.006 38.000 0.060 0.000 1.093 196 I HN 0.035 nan 8.210 nan 0.000 0.430 197 N N 1.307 120.067 118.700 0.100 0.000 2.906 197 N HA 0.039 4.779 4.740 0.001 0.000 0.282 197 N C -0.986 174.721 175.510 0.329 0.000 1.293 197 N CA 0.240 53.401 53.050 0.186 0.000 1.059 197 N CB -0.176 38.335 38.487 0.041 0.000 1.388 197 N HN -0.093 nan 8.380 nan 0.000 0.533 198 V N 1.709 121.779 119.914 0.260 0.000 2.483 198 V HA 0.283 4.403 4.120 0.001 0.000 0.297 198 V C -0.060 175.786 176.094 -0.414 0.000 1.027 198 V CA -1.159 61.146 62.300 0.009 0.000 0.855 198 V CB 1.756 33.550 31.823 -0.049 0.000 0.995 198 V HN 0.162 nan 8.190 nan 0.000 0.424 199 L N 9.034 129.839 121.223 -0.697 0.000 2.462 199 L HA 0.390 4.730 4.340 0.001 0.000 0.272 199 L C -1.530 174.996 176.870 -0.574 0.000 1.166 199 L CA -0.167 53.992 54.840 -1.135 0.000 0.880 199 L CB 1.118 42.743 42.059 -0.723 0.000 1.142 199 L HN 0.447 nan 8.230 nan 0.000 0.473 200 P HA 0.042 nan 4.420 nan 0.000 0.268 200 P C 0.370 177.545 177.300 -0.209 0.000 1.248 200 P CA -0.033 62.893 63.100 -0.289 0.000 0.851 200 P CB 0.443 31.988 31.700 -0.258 0.000 1.238 201 L N 0.853 121.942 121.223 -0.224 0.000 2.525 201 L HA 0.191 4.532 4.340 0.001 0.000 0.278 201 L C 1.243 178.070 176.870 -0.072 0.000 1.218 201 L CA 1.812 56.575 54.840 -0.127 0.000 0.878 201 L CB -0.389 41.627 42.059 -0.072 0.000 1.127 201 L HN 0.370 nan 8.230 nan 0.000 0.492 202 G N 2.312 111.088 108.800 -0.040 0.000 2.134 202 G HA2 -0.233 3.728 3.960 0.001 0.000 0.209 202 G HA3 -0.233 3.728 3.960 0.001 0.000 0.209 202 G C 0.657 175.537 174.900 -0.033 0.000 0.993 202 G CA 0.276 45.379 45.100 0.005 0.000 0.669 202 G HN 0.639 nan 8.290 nan 0.000 0.519 203 S N -0.129 115.533 115.700 -0.063 0.000 2.517 203 S HA 0.472 4.943 4.470 0.001 0.000 0.214 203 S C 1.918 176.482 174.600 -0.060 0.000 0.991 203 S CA 1.216 59.382 58.200 -0.057 0.000 0.906 203 S CB 0.321 63.483 63.200 -0.063 0.000 0.789 203 S HN 2.218 nan 8.310 nan 0.000 0.513 204 G N 1.855 110.605 108.800 -0.083 0.000 2.564 204 G HA2 -0.225 3.735 3.960 0.001 0.000 0.273 204 G HA3 -0.225 3.735 3.960 0.001 0.000 0.273 204 G C 0.905 175.741 174.900 -0.106 0.000 1.242 204 G CA 0.011 45.050 45.100 -0.101 0.000 0.951 204 G HN 0.677 nan 8.290 nan 0.000 0.564 205 A N -1.044 121.720 122.820 -0.094 0.000 1.968 205 A HA 0.473 4.793 4.320 0.001 0.000 0.217 205 A C 2.170 179.728 177.584 -0.043 0.000 1.169 205 A CA 3.182 55.166 52.037 -0.089 0.000 0.638 205 A CB -0.373 18.583 19.000 -0.074 0.000 0.812 205 A HN 2.141 nan 8.150 nan 0.000 0.446 206 L N -7.190 114.017 121.223 -0.028 0.000 3.727 206 L HA 0.387 4.727 4.340 0.001 0.000 0.408 206 L C 1.498 178.364 176.870 -0.007 0.000 0.948 206 L CA 0.551 55.389 54.840 -0.003 0.000 1.783 206 L CB -0.420 41.650 42.059 0.018 0.000 2.507 206 L HN 0.003 nan 8.230 nan 0.000 0.572 207 A N 0.965 123.777 122.820 -0.014 0.000 2.308 207 A HA 0.738 5.058 4.320 0.001 0.000 0.217 207 A C 1.196 178.770 177.584 -0.017 0.000 1.216 207 A CA 0.853 52.883 52.037 -0.012 0.000 0.864 207 A CB -0.259 18.735 19.000 -0.011 0.000 0.902 207 A HN 1.268 nan 8.150 nan 0.000 0.499 208 G N -0.547 108.239 108.800 -0.024 0.000 2.384 208 G HA2 -0.007 3.954 3.960 0.001 0.000 0.668 208 G HA3 -0.007 3.954 3.960 0.001 0.000 0.668 208 G C -0.739 174.146 174.900 -0.024 0.000 1.280 208 G CA -0.342 44.744 45.100 -0.024 0.000 0.992 208 G HN 0.627 nan 8.290 nan 0.000 0.512 209 N N 1.037 119.729 118.700 -0.013 0.000 2.472 209 N HA 0.639 5.379 4.740 0.001 0.000 0.277 209 N C -0.347 175.161 175.510 -0.002 0.000 1.081 209 N CA -1.157 51.894 53.050 0.002 0.000 0.973 209 N CB 1.578 40.085 38.487 0.032 0.000 1.105 209 N HN 0.364 nan 8.380 nan 0.000 0.470 210 P HA 0.064 nan 4.420 nan 0.000 0.249 210 P C 0.069 177.366 177.300 -0.005 0.000 1.229 210 P CA 0.648 63.744 63.100 -0.007 0.000 0.788 210 P CB 0.354 32.047 31.700 -0.011 0.000 1.072 211 L N -0.461 120.761 121.223 -0.002 0.000 2.910 211 L HA 0.261 4.601 4.340 0.001 0.000 0.252 211 L C 0.209 177.068 176.870 -0.019 0.000 1.195 211 L CA -0.198 54.636 54.840 -0.010 0.000 1.003 211 L CB -0.593 41.459 42.059 -0.011 0.000 1.328 211 L HN -0.127 nan 8.230 nan 0.000 0.540 212 D N 1.307 121.698 120.400 -0.015 0.000 2.708 212 D HA -0.231 4.410 4.640 0.001 0.000 0.236 212 D C 0.198 176.481 176.300 -0.029 0.000 1.146 212 D CA 0.489 54.478 54.000 -0.019 0.000 0.662 212 D CB -0.657 40.132 40.800 -0.019 0.000 1.059 212 D HN 0.169 nan 8.370 nan 0.000 0.428 213 I N 0.848 121.400 120.570 -0.030 0.000 2.872 213 I HA -0.028 4.142 4.170 0.001 0.000 0.291 213 I C 0.658 176.750 176.117 -0.041 0.000 1.216 213 I CA 0.207 61.473 61.300 -0.056 0.000 1.424 213 I CB 0.552 38.526 38.000 -0.043 0.000 1.351 213 I HN 0.008 nan 8.210 nan 0.000 0.592 214 D N 6.973 127.341 120.400 -0.052 0.000 2.470 214 D HA 0.083 4.724 4.640 0.001 0.000 0.226 214 D C 1.133 177.420 176.300 -0.022 0.000 1.196 214 D CA 0.130 54.110 54.000 -0.034 0.000 0.979 214 D CB 0.304 41.083 40.800 -0.036 0.000 1.059 214 D HN 0.482 nan 8.370 nan 0.000 0.515 215 R N 2.040 122.531 120.500 -0.015 0.000 2.120 215 R HA -0.178 4.163 4.340 0.001 0.000 0.234 215 R C 1.606 177.903 176.300 -0.006 0.000 1.123 215 R CA 0.970 57.063 56.100 -0.010 0.000 0.975 215 R CB 0.097 30.385 30.300 -0.020 0.000 0.866 215 R HN 0.346 nan 8.270 nan 0.000 0.446 216 E N 1.373 121.570 120.200 -0.006 0.000 2.110 216 E HA -0.193 4.157 4.350 0.001 0.000 0.193 216 E C 1.885 178.492 176.600 0.011 0.000 0.988 216 E CA 1.315 57.717 56.400 0.003 0.000 0.804 216 E CB -0.150 29.550 29.700 -0.000 0.000 0.745 216 E HN 0.242 nan 8.360 nan 0.000 0.458 217 M N -0.339 119.263 119.600 0.004 0.000 2.132 217 M HA -0.103 4.377 4.480 0.001 0.000 0.263 217 M C 1.913 178.227 176.300 0.024 0.000 1.065 217 M CA 1.353 56.657 55.300 0.007 0.000 1.122 217 M CB -0.056 32.538 32.600 -0.011 0.000 1.365 217 M HN 0.236 nan 8.290 nan 0.000 0.411 218 L N -0.448 120.791 121.223 0.028 0.000 2.017 218 L HA -0.248 4.093 4.340 0.001 0.000 0.208 218 L C 2.763 179.689 176.870 0.093 0.000 1.073 218 L CA 1.479 56.355 54.840 0.059 0.000 0.745 218 L CB -0.895 41.198 42.059 0.057 0.000 0.894 218 L HN 0.398 nan 8.230 nan 0.000 0.432 219 R N -0.128 120.416 120.500 0.074 0.000 2.094 219 R HA -0.231 4.110 4.340 0.001 0.000 0.239 219 R C 2.590 178.969 176.300 0.132 0.000 1.137 219 R CA 2.166 58.341 56.100 0.125 0.000 0.943 219 R CB -0.411 29.933 30.300 0.074 0.000 0.850 219 R HN 0.258 nan 8.270 nan 0.000 0.433 220 S N 0.189 115.933 115.700 0.073 0.000 2.359 220 S HA -0.156 4.315 4.470 0.001 0.000 0.224 220 S C 1.847 176.475 174.600 0.047 0.000 1.035 220 S CA 1.342 59.572 58.200 0.050 0.000 1.018 220 S CB -0.221 62.996 63.200 0.029 0.000 0.876 220 S HN 0.370 nan 8.310 nan 0.000 0.448 221 E N 0.685 120.918 120.200 0.054 0.000 2.077 221 E HA -0.046 4.304 4.350 0.001 0.000 0.193 221 E C 1.904 178.537 176.600 0.055 0.000 0.989 221 E CA 1.008 57.437 56.400 0.048 0.000 0.800 221 E CB -0.265 29.466 29.700 0.052 0.000 0.746 221 E HN 0.568 nan 8.360 nan 0.000 0.452 222 L N 0.081 121.366 121.223 0.104 0.000 2.591 222 L HA 0.068 4.408 4.340 0.001 0.000 0.228 222 L C 0.157 176.996 176.870 -0.050 0.000 1.133 222 L CA 0.161 55.058 54.840 0.096 0.000 0.880 222 L CB -0.113 42.129 42.059 0.305 0.000 1.033 222 L HN 0.040 nan 8.230 nan 0.000 0.450 223 E N -0.684 119.510 120.200 -0.010 0.000 2.553 223 E HA -0.222 4.128 4.350 0.001 0.000 0.264 223 E C -0.267 176.237 176.600 -0.160 0.000 1.068 223 E CA 0.135 56.487 56.400 -0.080 0.000 0.774 223 E CB -1.577 28.049 29.700 -0.122 0.000 1.349 223 E HN 0.259 nan 8.360 nan 0.000 0.404 224 F N -0.274 119.661 119.950 -0.025 0.000 2.380 224 F HA 0.371 4.898 4.527 0.001 0.000 0.325 224 F C 1.636 177.419 175.800 -0.028 0.000 1.136 224 F CA 0.359 58.339 58.000 -0.033 0.000 1.171 224 F CB 0.775 39.752 39.000 -0.037 0.000 1.230 224 F HN 0.055 nan 8.300 nan 0.000 0.554 225 A N 1.006 123.931 122.820 0.176 0.000 1.970 225 A HA 0.175 4.495 4.320 0.001 0.000 0.216 225 A C 0.680 178.311 177.584 0.078 0.000 1.170 225 A CA 1.326 53.414 52.037 0.086 0.000 0.645 225 A CB -0.408 18.624 19.000 0.053 0.000 0.816 225 A HN 0.690 nan 8.150 nan 0.000 0.447 226 S N -1.865 113.890 115.700 0.091 0.000 2.727 226 S HA 0.627 5.097 4.470 0.001 0.000 0.278 226 S C -0.703 173.897 174.600 0.001 0.000 1.186 226 S CA -0.232 57.991 58.200 0.038 0.000 0.836 226 S CB 0.379 63.591 63.200 0.020 0.000 1.186 226 S HN 0.980 nan 8.310 nan 0.000 0.499 227 I N -0.119 120.433 120.570 -0.031 0.000 2.693 227 I HA 0.761 4.931 4.170 0.001 0.000 0.303 227 I C 0.030 176.100 176.117 -0.079 0.000 1.025 227 I CA -0.832 60.420 61.300 -0.080 0.000 1.086 227 I CB 2.184 40.144 38.000 -0.066 0.000 1.268 227 I HN 0.856 nan 8.210 nan 0.000 0.440 228 S N 4.799 120.431 115.700 -0.113 0.000 2.558 228 S HA 0.193 4.663 4.470 0.001 0.000 0.288 228 S C 0.798 175.366 174.600 -0.054 0.000 1.318 228 S CA -0.532 57.616 58.200 -0.086 0.000 1.056 228 S CB 0.890 64.026 63.200 -0.107 0.000 0.853 228 S HN 0.718 nan 8.310 nan 0.000 0.505 229 L N 1.235 122.437 121.223 -0.035 0.000 2.209 229 L HA 0.195 4.535 4.340 0.001 0.000 0.207 229 L C 1.064 177.923 176.870 -0.019 0.000 1.094 229 L CA 0.629 55.456 54.840 -0.022 0.000 0.790 229 L CB -0.564 41.487 42.059 -0.013 0.000 0.932 229 L HN 0.786 nan 8.230 nan 0.000 0.447 230 N N -1.230 117.460 118.700 -0.018 0.000 2.371 230 N HA 0.083 4.823 4.740 0.001 0.000 0.291 230 N C 0.840 176.341 175.510 -0.015 0.000 1.053 230 N CA 0.058 53.100 53.050 -0.012 0.000 0.870 230 N CB 1.492 39.976 38.487 -0.004 0.000 1.503 230 N HN -0.035 nan 8.380 nan 0.000 0.485 231 S N 3.430 119.120 115.700 -0.016 0.000 2.382 231 S HA -0.202 4.268 4.470 0.001 0.000 0.228 231 S C 1.674 176.271 174.600 -0.006 0.000 1.027 231 S CA 0.899 59.087 58.200 -0.019 0.000 0.991 231 S CB -0.311 62.876 63.200 -0.021 0.000 0.823 231 S HN 0.664 nan 8.310 nan 0.000 0.469 232 M N 1.707 121.309 119.600 0.003 0.000 2.086 232 M HA -0.089 4.391 4.480 0.001 0.000 0.261 232 M C 2.314 178.629 176.300 0.024 0.000 1.067 232 M CA 2.127 57.437 55.300 0.016 0.000 1.116 232 M CB -0.695 31.913 32.600 0.015 0.000 1.348 232 M HN 0.389 nan 8.290 nan 0.000 0.407 233 D N 0.390 120.801 120.400 0.018 0.000 2.123 233 D HA -0.156 4.485 4.640 0.001 0.000 0.196 233 D C 1.854 178.175 176.300 0.036 0.000 0.992 233 D CA 1.837 55.853 54.000 0.027 0.000 0.833 233 D CB 0.071 40.883 40.800 0.020 0.000 0.954 233 D HN 0.293 nan 8.370 nan 0.000 0.455 234 A N 0.041 122.868 122.820 0.013 0.000 1.940 234 A HA -0.107 4.214 4.320 0.001 0.000 0.219 234 A C 2.222 179.821 177.584 0.026 0.000 1.176 234 A CA 1.961 53.997 52.037 -0.002 0.000 0.631 234 A CB -0.866 18.107 19.000 -0.046 0.000 0.814 234 A HN 0.557 nan 8.150 nan 0.000 0.446 235 I N -4.063 116.531 120.570 0.041 0.000 3.645 235 I HA 0.178 4.349 4.170 0.001 0.000 0.300 235 I C 1.675 177.880 176.117 0.146 0.000 1.260 235 I CA 1.399 62.747 61.300 0.080 0.000 1.365 235 I CB 0.089 38.119 38.000 0.051 0.000 1.077 235 I HN -0.034 nan 8.210 nan 0.000 0.439 236 S N 0.459 116.224 115.700 0.108 0.000 2.456 236 S HA 0.069 4.539 4.470 0.001 0.000 0.224 236 S C 0.760 175.406 174.600 0.077 0.000 1.035 236 S CA 0.306 58.559 58.200 0.087 0.000 0.940 236 S CB -0.419 62.813 63.200 0.054 0.000 0.799 236 S HN 0.734 nan 8.310 nan 0.000 0.508 237 E N 1.232 121.494 120.200 0.103 0.000 2.349 237 E HA 0.341 4.692 4.350 0.001 0.000 0.265 237 E C 0.108 176.808 176.600 0.167 0.000 1.064 237 E CA -0.455 56.011 56.400 0.111 0.000 0.886 237 E CB 0.483 30.257 29.700 0.123 0.000 1.036 237 E HN -0.159 nan 8.360 nan 0.000 0.413 238 R N 2.074 122.591 120.500 0.027 0.000 2.637 238 R HA 0.132 4.473 4.340 0.001 0.000 0.446 238 R C -0.465 175.675 176.300 -0.266 0.000 1.024 238 R CA -0.239 55.714 56.100 -0.246 0.000 1.080 238 R CB -0.064 30.078 30.300 -0.263 0.000 1.421 238 R HN 0.639 nan 8.270 nan 0.000 0.593 239 D N 0.799 121.201 120.400 0.004 0.000 2.116 239 D HA -0.196 4.445 4.640 0.001 0.000 0.193 239 D C 1.636 177.971 176.300 0.059 0.000 0.998 239 D CA 1.543 55.574 54.000 0.052 0.000 0.836 239 D CB -0.205 40.674 40.800 0.132 0.000 0.951 239 D HN 0.364 nan 8.370 nan 0.000 0.449 240 F N -0.395 119.593 119.950 0.062 0.000 2.202 240 F HA -0.127 4.401 4.527 0.001 0.000 0.301 240 F C 2.000 177.878 175.800 0.129 0.000 1.082 240 F CA 0.533 58.585 58.000 0.086 0.000 1.313 240 F CB -0.908 38.131 39.000 0.066 0.000 1.024 240 F HN -0.152 nan 8.300 nan 0.000 0.495 241 V N 0.602 120.104 119.914 -0.687 0.000 2.323 241 V HA -0.204 3.917 4.120 0.001 0.000 0.244 241 V C 2.559 178.622 176.094 -0.052 0.000 1.041 241 V CA 1.503 63.592 62.300 -0.353 0.000 1.025 241 V CB -0.534 30.985 31.823 -0.506 0.000 0.656 241 V HN 0.351 nan 8.190 nan 0.000 0.451 242 V N -0.066 119.791 119.914 -0.095 0.000 2.287 242 V HA -0.281 3.840 4.120 0.001 0.000 0.248 242 V C 2.494 178.614 176.094 0.042 0.000 1.053 242 V CA 2.120 64.404 62.300 -0.027 0.000 1.027 242 V CB -0.653 31.149 31.823 -0.034 0.000 0.646 242 V HN 0.601 nan 8.190 nan 0.000 0.447 243 E N -0.661 119.590 120.200 0.084 0.000 2.058 243 E HA -0.271 4.079 4.350 0.001 0.000 0.194 243 E C 2.074 178.799 176.600 0.207 0.000 0.997 243 E CA 1.825 58.306 56.400 0.136 0.000 0.801 243 E CB -0.259 29.539 29.700 0.164 0.000 0.746 243 E HN 0.646 nan 8.360 nan 0.000 0.450 244 F N 1.410 121.435 119.950 0.125 0.000 2.146 244 F HA -0.125 4.403 4.527 0.001 0.000 0.298 244 F C 1.941 177.877 175.800 0.226 0.000 1.096 244 F CA 1.124 59.253 58.000 0.215 0.000 1.275 244 F CB -0.161 38.940 39.000 0.168 0.000 1.008 244 F HN -0.101 nan 8.300 nan 0.000 0.480 245 L N -0.729 120.464 121.223 -0.049 0.000 2.141 245 L HA -0.160 4.181 4.340 0.001 0.000 0.209 245 L C 2.460 179.236 176.870 -0.155 0.000 1.094 245 L CA 1.100 55.831 54.840 -0.181 0.000 0.763 245 L CB -0.872 41.155 42.059 -0.053 0.000 0.908 245 L HN 0.086 nan 8.230 nan 0.000 0.437 246 S N 0.106 115.775 115.700 -0.052 0.000 2.357 246 S HA -0.162 4.309 4.470 0.001 0.000 0.221 246 S C 1.778 176.332 174.600 -0.076 0.000 1.031 246 S CA 1.221 59.401 58.200 -0.035 0.000 0.982 246 S CB -0.346 62.867 63.200 0.022 0.000 0.853 246 S HN 0.457 nan 8.310 nan 0.000 0.458 247 F N 3.047 122.917 119.950 -0.133 0.000 2.095 247 F HA -0.096 4.432 4.527 0.001 0.000 0.298 247 F C 2.253 177.931 175.800 -0.203 0.000 1.104 247 F CA 1.129 59.048 58.000 -0.135 0.000 1.232 247 F CB -0.968 37.976 39.000 -0.092 0.000 0.987 247 F HN 0.155 nan 8.300 nan 0.000 0.475 248 A N 0.068 122.312 122.820 -0.961 0.000 1.902 248 A HA -0.160 4.161 4.320 0.001 0.000 0.217 248 A C 2.201 179.429 177.584 -0.595 0.000 1.181 248 A CA 2.369 53.802 52.037 -1.007 0.000 0.623 248 A CB -1.532 17.020 19.000 -0.747 0.000 0.818 248 A HN 0.508 nan 8.150 nan 0.000 0.443 249 T N 0.068 114.393 114.554 -0.380 0.000 2.777 249 T HA -0.055 4.296 4.350 0.001 0.000 0.266 249 T C 1.825 176.351 174.700 -0.289 0.000 1.040 249 T CA 1.217 63.177 62.100 -0.233 0.000 1.141 249 T CB -0.294 68.526 68.868 -0.080 0.000 0.868 249 T HN 0.335 nan 8.240 nan 0.000 0.444 250 L N 0.640 121.659 121.223 -0.339 0.000 2.093 250 L HA -0.024 4.317 4.340 0.001 0.000 0.208 250 L C 2.344 178.856 176.870 -0.596 0.000 1.085 250 L CA 0.903 55.493 54.840 -0.416 0.000 0.755 250 L CB -0.303 41.552 42.059 -0.340 0.000 0.904 250 L HN 0.252 nan 8.230 nan 0.000 0.435 251 L N -0.371 120.534 121.223 -0.530 0.000 2.017 251 L HA -0.243 4.098 4.340 0.001 0.000 0.208 251 L C 2.411 179.116 176.870 -0.275 0.000 1.073 251 L CA 1.903 56.503 54.840 -0.399 0.000 0.745 251 L CB -0.545 41.210 42.059 -0.505 0.000 0.894 251 L HN 0.180 nan 8.230 nan 0.000 0.432 252 M N -0.669 118.761 119.600 -0.283 0.000 2.213 252 M HA -0.166 4.314 4.480 0.001 0.000 0.263 252 M C 2.273 178.483 176.300 -0.150 0.000 1.062 252 M CA 1.260 56.452 55.300 -0.179 0.000 1.105 252 M CB -1.125 31.380 32.600 -0.158 0.000 1.385 252 M HN 0.260 nan 8.290 nan 0.000 0.417 253 I N -0.574 119.870 120.570 -0.210 0.000 2.179 253 I HA -0.289 3.881 4.170 0.001 0.000 0.242 253 I C 2.318 178.404 176.117 -0.053 0.000 1.088 253 I CA 1.626 62.827 61.300 -0.165 0.000 1.357 253 I CB -1.444 36.420 38.000 -0.226 0.000 1.051 253 I HN 0.423 nan 8.210 nan 0.000 0.409 254 H N 0.158 119.175 119.070 -0.088 0.000 2.353 254 H HA -0.112 4.445 4.556 0.001 0.000 0.300 254 H C 2.361 177.650 175.328 -0.065 0.000 1.090 254 H CA 0.864 56.877 56.048 -0.058 0.000 1.327 254 H CB 0.045 29.776 29.762 -0.053 0.000 1.383 254 H HN 0.224 nan 8.280 nan 0.000 0.508 255 L N 0.531 121.776 121.223 0.036 0.000 2.201 255 L HA -0.145 4.195 4.340 0.001 0.000 0.212 255 L C 2.709 179.541 176.870 -0.065 0.000 1.105 255 L CA 1.056 55.871 54.840 -0.042 0.000 0.775 255 L CB -0.344 41.679 42.059 -0.061 0.000 0.913 255 L HN 0.374 nan 8.230 nan 0.000 0.440 256 S N -0.174 115.494 115.700 -0.053 0.000 2.406 256 S HA -0.228 4.242 4.470 0.001 0.000 0.228 256 S C 1.991 176.557 174.600 -0.056 0.000 1.020 256 S CA 1.100 59.264 58.200 -0.060 0.000 0.965 256 S CB -0.174 62.988 63.200 -0.064 0.000 0.798 256 S HN 0.411 nan 8.310 nan 0.000 0.488 257 K N 0.788 121.172 120.400 -0.027 0.000 2.062 257 K HA 0.076 4.396 4.320 0.001 0.000 0.205 257 K C 2.402 178.981 176.600 -0.036 0.000 1.051 257 K CA 1.125 57.410 56.287 -0.003 0.000 0.941 257 K CB -0.312 32.223 32.500 0.059 0.000 0.719 257 K HN 0.461 nan 8.250 nan 0.000 0.440 258 M N 0.494 120.012 119.600 -0.136 0.000 2.117 258 M HA -0.135 4.345 4.480 0.001 0.000 0.262 258 M C 2.023 178.175 176.300 -0.246 0.000 1.065 258 M CA 1.763 56.799 55.300 -0.441 0.000 1.114 258 M CB -0.116 32.095 32.600 -0.647 0.000 1.361 258 M HN 0.295 nan 8.290 nan 0.000 0.408 259 A N 0.026 122.746 122.820 -0.167 0.000 1.877 259 A HA -0.241 4.079 4.320 0.001 0.000 0.216 259 A C 1.838 179.341 177.584 -0.136 0.000 1.186 259 A CA 2.152 54.111 52.037 -0.129 0.000 0.620 259 A CB -0.899 18.043 19.000 -0.097 0.000 0.822 259 A HN 0.651 nan 8.150 nan 0.000 0.443 260 E N 0.500 120.623 120.200 -0.129 0.000 2.058 260 E HA -0.218 4.132 4.350 0.001 0.000 0.194 260 E C 1.458 177.916 176.600 -0.236 0.000 0.997 260 E CA 1.834 58.146 56.400 -0.146 0.000 0.801 260 E CB -0.274 29.361 29.700 -0.107 0.000 0.746 260 E HN 0.538 nan 8.360 nan 0.000 0.450 261 D N -0.340 119.911 120.400 -0.249 0.000 2.104 261 D HA -0.152 4.488 4.640 0.001 0.000 0.194 261 D C 1.846 177.711 176.300 -0.725 0.000 0.994 261 D CA 0.946 54.647 54.000 -0.499 0.000 0.830 261 D CB -0.219 40.484 40.800 -0.161 0.000 0.959 261 D HN 0.197 nan 8.370 nan 0.000 0.452 262 L N 0.653 121.679 121.223 -0.328 0.000 2.093 262 L HA -0.042 4.298 4.340 0.001 0.000 0.208 262 L C 2.405 179.196 176.870 -0.132 0.000 1.085 262 L CA 0.866 55.617 54.840 -0.148 0.000 0.755 262 L CB -0.656 41.391 42.059 -0.020 0.000 0.904 262 L HN 0.061 nan 8.230 nan 0.000 0.435 263 I N -1.083 119.388 120.570 -0.165 0.000 2.179 263 I HA -0.326 3.844 4.170 0.001 0.000 0.242 263 I C 2.342 178.342 176.117 -0.195 0.000 1.088 263 I CA 1.321 62.541 61.300 -0.134 0.000 1.357 263 I CB -0.157 37.769 38.000 -0.123 0.000 1.051 263 I HN 0.152 nan 8.210 nan 0.000 0.409 264 I N -0.440 119.933 120.570 -0.328 0.000 2.226 264 I HA -0.310 3.861 4.170 0.001 0.000 0.245 264 I C 2.283 178.057 176.117 -0.571 0.000 1.100 264 I CA 1.283 62.270 61.300 -0.521 0.000 1.374 264 I CB -0.402 37.181 38.000 -0.696 0.000 1.057 264 I HN 0.192 nan 8.210 nan 0.000 0.413 265 Y N 0.649 120.654 120.300 -0.491 0.000 2.421 265 Y HA -0.147 4.403 4.550 0.001 0.000 0.292 265 Y C 2.890 178.706 175.900 -0.141 0.000 1.136 265 Y CA 0.875 58.799 58.100 -0.293 0.000 1.255 265 Y CB -1.226 37.258 38.460 0.040 0.000 0.991 265 Y HN 0.293 nan 8.280 nan 0.000 0.552 266 S N -0.898 114.819 115.700 0.028 0.000 2.558 266 S HA -0.010 4.461 4.470 0.001 0.000 0.217 266 S C 1.002 175.601 174.600 -0.001 0.000 0.975 266 S CA 0.078 58.296 58.200 0.030 0.000 0.912 266 S CB -1.149 62.067 63.200 0.027 0.000 0.776 266 S HN 0.396 nan 8.310 nan 0.000 0.526 267 T N 0.957 115.491 114.554 -0.033 0.000 2.855 267 T HA 0.210 4.561 4.350 0.001 0.000 0.322 267 T C 1.429 176.142 174.700 0.021 0.000 1.088 267 T CA 0.129 62.227 62.100 -0.004 0.000 1.104 267 T CB 0.845 69.722 68.868 0.016 0.000 0.996 267 T HN 0.383 nan 8.240 nan 0.000 0.549 268 S N 0.576 116.286 115.700 0.017 0.000 2.402 268 S HA -0.130 4.341 4.470 0.001 0.000 0.229 268 S C 1.609 176.209 174.600 -0.001 0.000 1.021 268 S CA 0.864 59.068 58.200 0.006 0.000 0.974 268 S CB -0.573 62.629 63.200 0.003 0.000 0.800 268 S HN 0.797 nan 8.310 nan 0.000 0.484 269 E N 0.960 121.176 120.200 0.026 0.000 2.072 269 E HA 0.065 4.416 4.350 0.001 0.000 0.191 269 E C 1.494 178.039 176.600 -0.092 0.000 0.985 269 E CA 1.239 57.637 56.400 -0.003 0.000 0.801 269 E CB -0.409 29.326 29.700 0.059 0.000 0.750 269 E HN 0.608 nan 8.360 nan 0.000 0.452 270 F N -0.626 119.151 119.950 -0.289 0.000 2.147 270 F HA 0.186 4.713 4.527 0.001 0.000 0.291 270 F C 1.955 177.386 175.800 -0.614 0.000 1.093 270 F CA 1.227 58.854 58.000 -0.621 0.000 1.263 270 F CB -0.506 38.050 39.000 -0.741 0.000 1.036 270 F HN 0.166 nan 8.300 nan 0.000 0.481 271 G N -0.480 108.242 108.800 -0.130 0.000 2.203 271 G HA2 -0.321 3.639 3.960 0.001 0.000 0.263 271 G HA3 -0.321 3.639 3.960 0.001 0.000 0.263 271 G C 0.798 175.742 174.900 0.074 0.000 1.012 271 G CA 0.503 45.581 45.100 -0.037 0.000 0.749 271 G HN 0.249 nan 8.290 nan 0.000 0.512 272 F N -0.567 119.385 119.950 0.003 0.000 2.456 272 F HA 0.403 4.930 4.527 0.001 0.000 0.298 272 F C 1.484 177.189 175.800 -0.158 0.000 1.104 272 F CA 0.835 58.757 58.000 -0.130 0.000 1.435 272 F CB -0.314 38.545 39.000 -0.235 0.000 1.078 272 F HN 0.497 nan 8.300 nan 0.000 0.546 273 L N -4.111 117.184 121.223 0.120 0.000 2.838 273 L HA 0.771 5.112 4.340 0.001 0.000 0.266 273 L C -0.882 176.027 176.870 0.064 0.000 1.040 273 L CA -0.788 54.084 54.840 0.054 0.000 0.906 273 L CB 1.913 44.010 42.059 0.062 0.000 1.501 273 L HN -0.363 nan 8.230 nan 0.000 0.407 274 T N 1.353 115.940 114.554 0.056 0.000 2.921 274 T HA 0.657 5.007 4.350 0.001 0.000 0.297 274 T C -0.411 174.334 174.700 0.075 0.000 1.013 274 T CA -0.505 61.629 62.100 0.057 0.000 0.990 274 T CB 1.467 70.360 68.868 0.041 0.000 1.023 274 T HN 0.638 nan 8.240 nan 0.000 0.447 275 L N 2.441 123.714 121.223 0.084 0.000 2.453 275 L HA 0.433 4.774 4.340 0.001 0.000 0.261 275 L C 1.370 178.312 176.870 0.119 0.000 1.179 275 L CA -0.685 54.225 54.840 0.117 0.000 0.813 275 L CB 0.827 42.962 42.059 0.127 0.000 1.110 275 L HN 0.810 nan 8.230 nan 0.000 0.466 276 S N -0.374 115.427 115.700 0.169 0.000 2.608 276 S HA 0.031 4.501 4.470 0.001 0.000 0.261 276 S C 0.535 175.177 174.600 0.070 0.000 1.314 276 S CA -0.629 57.645 58.200 0.123 0.000 0.992 276 S CB 0.920 64.218 63.200 0.162 0.000 0.935 276 S HN 0.579 nan 8.310 nan 0.000 0.564 277 D N 1.189 121.594 120.400 0.009 0.000 2.178 277 D HA 0.002 4.643 4.640 0.001 0.000 0.201 277 D C 2.157 178.394 176.300 -0.105 0.000 0.980 277 D CA 1.652 55.634 54.000 -0.030 0.000 0.842 277 D CB -0.847 39.932 40.800 -0.035 0.000 0.948 277 D HN 0.700 nan 8.370 nan 0.000 0.472 278 A N -0.203 122.487 122.820 -0.217 0.000 1.972 278 A HA -0.117 4.204 4.320 0.001 0.000 0.219 278 A C 1.432 178.624 177.584 -0.653 0.000 1.169 278 A CA 0.892 52.631 52.037 -0.497 0.000 0.635 278 A CB -0.624 17.916 19.000 -0.767 0.000 0.810 278 A HN 0.245 nan 8.150 nan 0.000 0.446 279 F N 0.032 119.987 119.950 0.009 0.000 2.647 279 F HA 0.247 4.775 4.527 0.001 0.000 0.300 279 F C 0.977 176.779 175.800 0.004 0.000 1.106 279 F CA 0.271 58.274 58.000 0.006 0.000 1.313 279 F CB 0.337 39.343 39.000 0.009 0.000 1.007 279 F HN 0.208 nan 8.300 nan 0.000 0.536 280 S N -1.977 113.773 115.700 0.084 0.000 2.697 280 S HA 0.787 5.258 4.470 0.001 0.000 0.289 280 S C -0.507 174.105 174.600 0.020 0.000 1.149 280 S CA -0.621 57.615 58.200 0.061 0.000 0.850 280 S CB 2.403 65.639 63.200 0.060 0.000 1.151 280 S HN -0.127 nan 8.310 nan 0.000 0.491 281 T N -0.293 114.271 114.554 0.017 0.000 2.916 281 T HA 0.918 5.268 4.350 0.001 0.000 0.292 281 T C -0.210 174.493 174.700 0.005 0.000 1.064 281 T CA -0.166 61.937 62.100 0.005 0.000 1.011 281 T CB 1.551 70.423 68.868 0.006 0.000 1.152 281 T HN 1.395 nan 8.240 nan 0.000 0.510 282 G N -0.124 108.676 108.800 0.001 0.000 2.489 282 G HA2 0.626 4.586 3.960 0.001 0.000 0.291 282 G HA3 0.626 4.586 3.960 0.001 0.000 0.291 282 G C -1.824 173.075 174.900 -0.001 0.000 1.487 282 G CA -0.285 44.816 45.100 0.001 0.000 0.795 282 G HN 0.876 nan 8.290 nan 0.000 0.513 283 A N -0.155 122.665 122.820 -0.000 0.000 2.312 283 A HA 0.707 5.027 4.320 0.001 0.000 0.326 283 A C 1.424 179.008 177.584 -0.001 0.000 1.172 283 A CA 0.471 52.507 52.037 -0.001 0.000 0.821 283 A CB 1.286 20.285 19.000 -0.001 0.000 1.166 283 A HN 1.916 nan 8.150 nan 0.000 0.493 284 S N 1.731 117.430 115.700 -0.002 0.000 2.474 284 S HA -0.086 4.385 4.470 0.001 0.000 0.235 284 S C 1.212 175.812 174.600 -0.001 0.000 0.997 284 S CA 0.823 59.022 58.200 -0.002 0.000 0.949 284 S CB -0.316 62.882 63.200 -0.002 0.000 0.766 284 S HN 0.561 nan 8.310 nan 0.000 0.517 285 L N 0.112 121.335 121.223 -0.001 0.000 2.313 285 L HA 0.337 4.677 4.340 0.001 0.000 0.214 285 L C 1.084 177.954 176.870 -0.000 0.000 1.119 285 L CA 1.108 55.948 54.840 -0.001 0.000 0.809 285 L CB -1.311 40.747 42.059 -0.001 0.000 0.933 285 L HN 0.481 nan 8.230 nan 0.000 0.449 286 M N 0.877 120.477 119.600 -0.000 0.000 3.053 286 M HA 0.191 4.672 4.480 0.001 0.000 0.293 286 M C -1.546 174.755 176.300 0.001 0.000 1.470 286 M CA -0.931 54.370 55.300 0.000 0.000 0.582 286 M CB 1.637 34.237 32.600 0.001 0.000 1.435 286 M HN -0.218 nan 8.290 nan 0.000 0.451 287 P HA -0.210 nan 4.420 nan 0.000 0.220 287 P C 0.914 178.216 177.300 0.003 0.000 1.144 287 P CA 1.416 64.517 63.100 0.001 0.000 0.800 287 P CB 0.255 31.955 31.700 0.001 0.000 0.772 288 Q N -0.596 119.206 119.800 0.003 0.000 2.389 288 Q HA 0.034 4.374 4.340 0.001 0.000 0.204 288 Q C 1.153 177.157 176.000 0.006 0.000 0.944 288 Q CA 0.535 56.341 55.803 0.004 0.000 0.908 288 Q CB 0.091 28.831 28.738 0.003 0.000 1.002 288 Q HN 0.325 nan 8.270 nan 0.000 0.493 289 K N 1.489 121.892 120.400 0.005 0.000 2.201 289 K HA 0.195 4.515 4.320 0.001 0.000 0.278 289 K C -0.815 175.790 176.600 0.008 0.000 1.027 289 K CA 0.028 56.318 56.287 0.006 0.000 0.909 289 K CB 0.611 33.114 32.500 0.004 0.000 1.062 289 K HN -0.178 nan 8.250 nan 0.000 0.465 290 K N 3.295 123.701 120.400 0.011 0.000 2.376 290 K HA 0.310 4.630 4.320 0.001 0.000 0.257 290 K C -0.915 175.694 176.600 0.015 0.000 0.939 290 K CA -0.935 55.361 56.287 0.016 0.000 0.809 290 K CB 1.365 33.880 32.500 0.024 0.000 1.121 290 K HN 0.540 nan 8.250 nan 0.000 0.425 291 N N 3.681 122.390 118.700 0.014 0.000 2.438 291 N HA 0.186 4.926 4.740 0.001 0.000 0.282 291 N C -2.308 173.215 175.510 0.021 0.000 1.037 291 N CA -1.742 51.315 53.050 0.012 0.000 0.942 291 N CB 1.157 39.649 38.487 0.008 0.000 1.136 291 N HN 0.297 nan 8.380 nan 0.000 0.481 292 P HA 0.160 nan 4.420 nan 0.000 0.220 292 P C -0.474 176.841 177.300 0.026 0.000 1.778 292 P CA -0.164 62.952 63.100 0.027 0.000 0.912 292 P CB 0.034 31.738 31.700 0.007 0.000 1.861 293 D N 0.604 121.024 120.400 0.033 0.000 2.158 293 D HA -0.204 4.437 4.640 0.001 0.000 0.197 293 D C 2.242 178.567 176.300 0.042 0.000 0.995 293 D CA 2.137 56.155 54.000 0.030 0.000 0.846 293 D CB -0.434 40.384 40.800 0.030 0.000 0.941 293 D HN 0.300 nan 8.370 nan 0.000 0.456 294 S N 0.519 116.265 115.700 0.078 0.000 2.359 294 S HA -0.213 4.257 4.470 0.001 0.000 0.223 294 S C 2.079 176.694 174.600 0.025 0.000 1.039 294 S CA 0.973 59.229 58.200 0.094 0.000 1.042 294 S CB -0.888 62.421 63.200 0.181 0.000 0.915 294 S HN 0.294 nan 8.310 nan 0.000 0.439 295 L N 1.346 122.572 121.223 0.004 0.000 2.141 295 L HA -0.013 4.328 4.340 0.001 0.000 0.209 295 L C 2.873 179.724 176.870 -0.032 0.000 1.094 295 L CA 1.394 56.215 54.840 -0.031 0.000 0.763 295 L CB -0.623 41.410 42.059 -0.043 0.000 0.908 295 L HN 0.414 nan 8.230 nan 0.000 0.437 296 E N 0.226 120.415 120.200 -0.018 0.000 2.152 296 E HA -0.163 4.188 4.350 0.001 0.000 0.192 296 E C 2.333 178.925 176.600 -0.014 0.000 0.983 296 E CA 0.814 57.202 56.400 -0.020 0.000 0.818 296 E CB -0.042 29.650 29.700 -0.013 0.000 0.758 296 E HN 0.453 nan 8.360 nan 0.000 0.467 297 L N 0.719 121.939 121.223 -0.004 0.000 2.005 297 L HA -0.184 4.156 4.340 0.001 0.000 0.207 297 L C 2.464 179.328 176.870 -0.011 0.000 1.072 297 L CA 1.028 55.868 54.840 -0.000 0.000 0.744 297 L CB -0.332 41.735 42.059 0.014 0.000 0.895 297 L HN 0.141 nan 8.230 nan 0.000 0.433 298 I N -0.451 120.107 120.570 -0.020 0.000 2.163 298 I HA -0.352 3.818 4.170 0.001 0.000 0.243 298 I C 2.870 178.963 176.117 -0.041 0.000 1.085 298 I CA 1.398 62.677 61.300 -0.035 0.000 1.347 298 I CB -0.355 37.613 38.000 -0.052 0.000 1.044 298 I HN 0.269 nan 8.210 nan 0.000 0.408 299 R N 1.086 121.561 120.500 -0.043 0.000 2.081 299 R HA -0.192 4.148 4.340 0.001 0.000 0.235 299 R C 2.490 178.768 176.300 -0.035 0.000 1.131 299 R CA 2.088 58.161 56.100 -0.046 0.000 0.960 299 R CB -0.255 30.016 30.300 -0.049 0.000 0.856 299 R HN 0.463 nan 8.270 nan 0.000 0.436 300 S N 0.233 115.918 115.700 -0.024 0.000 2.447 300 S HA -0.039 4.431 4.470 0.001 0.000 0.233 300 S C 1.497 176.092 174.600 -0.009 0.000 1.006 300 S CA 0.658 58.850 58.200 -0.014 0.000 0.957 300 S CB 0.009 63.204 63.200 -0.008 0.000 0.773 300 S HN 0.237 nan 8.310 nan 0.000 0.507 301 K N 1.642 122.033 120.400 -0.016 0.000 2.365 301 K HA 0.281 4.601 4.320 0.001 0.000 0.199 301 K C 2.205 178.793 176.600 -0.019 0.000 1.045 301 K CA 0.899 57.178 56.287 -0.014 0.000 0.962 301 K CB -0.860 31.628 32.500 -0.018 0.000 0.759 301 K HN 0.533 nan 8.250 nan 0.000 0.469 302 A N 1.059 123.861 122.820 -0.029 0.000 1.930 302 A HA -0.051 4.270 4.320 0.001 0.000 0.217 302 A C 2.410 180.010 177.584 0.027 0.000 1.175 302 A CA 1.891 53.906 52.037 -0.036 0.000 0.627 302 A CB -0.801 18.160 19.000 -0.065 0.000 0.815 302 A HN 0.354 nan 8.150 nan 0.000 0.443 303 G N -0.817 108.008 108.800 0.041 0.000 2.394 303 G HA2 -0.178 3.783 3.960 0.001 0.000 0.215 303 G HA3 -0.178 3.783 3.960 0.001 0.000 0.215 303 G C 1.714 176.670 174.900 0.093 0.000 1.165 303 G CA 0.818 45.985 45.100 0.112 0.000 0.784 303 G HN 0.526 nan 8.290 nan 0.000 0.535 304 R N -0.013 120.508 120.500 0.036 0.000 2.091 304 R HA -0.050 4.290 4.340 0.001 0.000 0.238 304 R C 2.503 178.802 176.300 -0.002 0.000 1.136 304 R CA 1.585 57.691 56.100 0.009 0.000 0.959 304 R CB -0.320 29.983 30.300 0.004 0.000 0.856 304 R HN 0.268 nan 8.270 nan 0.000 0.437 305 V N 0.669 120.585 119.914 0.004 0.000 2.379 305 V HA -0.191 3.929 4.120 0.001 0.000 0.245 305 V C 2.004 178.099 176.094 0.003 0.000 1.044 305 V CA 1.581 63.868 62.300 -0.021 0.000 1.036 305 V CB -0.678 31.107 31.823 -0.064 0.000 0.664 305 V HN 0.338 nan 8.190 nan 0.000 0.453 306 F N 2.511 122.403 119.950 -0.097 0.000 2.202 306 F HA -0.080 4.447 4.527 0.000 0.000 0.301 306 F C 2.067 177.825 175.800 -0.071 0.000 1.082 306 F CA 1.485 59.430 58.000 -0.091 0.000 1.313 306 F CB -0.931 38.020 39.000 -0.082 0.000 1.024 306 F HN 0.128 nan 8.300 nan 0.000 0.495 307 G N 0.679 109.323 108.800 -0.260 0.000 2.422 307 G HA2 -0.228 3.732 3.960 0.001 0.000 0.218 307 G HA3 -0.228 3.732 3.960 0.001 0.000 0.218 307 G C 1.821 176.544 174.900 -0.295 0.000 1.146 307 G CA 0.484 45.365 45.100 -0.365 0.000 0.769 307 G HN 0.204 nan 8.290 nan 0.000 0.547 308 R N -0.202 120.188 120.500 -0.183 0.000 2.092 308 R HA 0.040 4.380 4.340 0.001 0.000 0.231 308 R C 2.469 178.676 176.300 -0.156 0.000 1.119 308 R CA 0.811 56.827 56.100 -0.139 0.000 0.970 308 R CB -1.193 29.062 30.300 -0.075 0.000 0.864 308 R HN 0.471 nan 8.270 nan 0.000 0.440 309 L N 0.784 121.906 121.223 -0.168 0.000 2.056 309 L HA -0.014 4.326 4.340 0.001 0.000 0.207 309 L C 2.168 178.924 176.870 -0.190 0.000 1.078 309 L CA 2.038 56.798 54.840 -0.134 0.000 0.749 309 L CB -0.703 41.322 42.059 -0.056 0.000 0.901 309 L HN 0.127 nan 8.230 nan 0.000 0.433 310 A N -0.572 122.029 122.820 -0.365 0.000 1.902 310 A HA -0.220 4.101 4.320 0.001 0.000 0.217 310 A C 2.517 179.965 177.584 -0.225 0.000 1.181 310 A CA 2.151 53.971 52.037 -0.362 0.000 0.623 310 A CB -1.219 17.400 19.000 -0.635 0.000 0.818 310 A HN 0.693 nan 8.150 nan 0.000 0.443 311 S N 0.022 115.593 115.700 -0.216 0.000 2.356 311 S HA -0.137 4.334 4.470 0.001 0.000 0.223 311 S C 1.800 176.323 174.600 -0.127 0.000 1.032 311 S CA 1.513 59.620 58.200 -0.155 0.000 1.005 311 S CB -0.541 62.572 63.200 -0.145 0.000 0.867 311 S HN 0.324 nan 8.310 nan 0.000 0.449 312 I N 2.090 122.585 120.570 -0.125 0.000 2.315 312 I HA -0.008 4.163 4.170 0.001 0.000 0.248 312 I C 2.491 178.550 176.117 -0.097 0.000 1.117 312 I CA 0.741 61.974 61.300 -0.112 0.000 1.404 312 I CB -1.539 36.393 38.000 -0.114 0.000 1.071 312 I HN 0.323 nan 8.210 nan 0.000 0.419 313 L N -0.182 120.986 121.223 -0.092 0.000 2.042 313 L HA -0.236 4.105 4.340 0.001 0.000 0.210 313 L C 2.696 179.526 176.870 -0.067 0.000 1.076 313 L CA 1.514 56.312 54.840 -0.070 0.000 0.749 313 L CB -0.455 41.570 42.059 -0.058 0.000 0.893 313 L HN 0.237 nan 8.230 nan 0.000 0.432 314 M N -0.803 118.750 119.600 -0.078 0.000 2.175 314 M HA -0.152 4.328 4.480 0.001 0.000 0.264 314 M C 2.123 178.383 176.300 -0.067 0.000 1.063 314 M CA 1.410 56.669 55.300 -0.068 0.000 1.119 314 M CB 0.074 32.629 32.600 -0.075 0.000 1.377 314 M HN -0.009 nan 8.290 nan 0.000 0.415 315 V N 1.056 120.923 119.914 -0.078 0.000 2.295 315 V HA -0.290 3.831 4.120 0.001 0.000 0.246 315 V C 2.305 178.355 176.094 -0.074 0.000 1.049 315 V CA 1.863 64.116 62.300 -0.078 0.000 1.024 315 V CB -0.664 31.105 31.823 -0.091 0.000 0.648 315 V HN 0.551 nan 8.190 nan 0.000 0.447 316 L N -0.578 120.601 121.223 -0.073 0.000 2.217 316 L HA -0.012 4.329 4.340 0.001 0.000 0.211 316 L C 1.536 178.376 176.870 -0.050 0.000 1.107 316 L CA 0.569 55.371 54.840 -0.064 0.000 0.783 316 L CB -0.369 41.653 42.059 -0.062 0.000 0.919 316 L HN 0.185 nan 8.230 nan 0.000 0.442 317 K N 1.422 121.795 120.400 -0.045 0.000 2.484 317 K HA -0.025 4.295 4.320 0.001 0.000 0.280 317 K C 0.963 177.543 176.600 -0.033 0.000 1.013 317 K CA 1.009 57.275 56.287 -0.035 0.000 1.029 317 K CB 0.438 32.918 32.500 -0.032 0.000 0.902 317 K HN 0.291 nan 8.250 nan 0.000 0.481 318 G N 3.573 112.357 108.800 -0.026 0.000 2.175 318 G HA2 -0.271 3.690 3.960 0.001 0.000 0.265 318 G HA3 -0.271 3.690 3.960 0.001 0.000 0.265 318 G C 0.278 175.161 174.900 -0.028 0.000 0.979 318 G CA 0.392 45.477 45.100 -0.024 0.000 0.663 318 G HN 0.548 nan 8.290 nan 0.000 0.533 319 L N 1.981 123.183 121.223 -0.035 0.000 2.380 319 L HA 0.358 4.698 4.340 0.001 0.000 0.273 319 L C -0.718 176.132 176.870 -0.033 0.000 1.138 319 L CA -1.474 53.340 54.840 -0.043 0.000 0.832 319 L CB 0.600 42.624 42.059 -0.059 0.000 1.124 319 L HN 0.112 nan 8.230 nan 0.000 0.454 320 P HA 0.211 nan 4.420 nan 0.000 0.279 320 P C -0.786 176.502 177.300 -0.019 0.000 1.252 320 P CA -0.565 62.522 63.100 -0.021 0.000 0.811 320 P CB 1.226 32.916 31.700 -0.018 0.000 1.035 321 S N 0.076 115.772 115.700 -0.007 0.000 2.576 321 S HA 0.245 4.716 4.470 0.001 0.000 0.276 321 S C 1.325 175.931 174.600 0.011 0.000 1.339 321 S CA 0.073 58.275 58.200 0.004 0.000 1.039 321 S CB 0.538 63.743 63.200 0.009 0.000 0.902 321 S HN 0.729 nan 8.310 nan 0.000 0.516 322 T N 0.241 114.813 114.554 0.030 0.000 3.556 322 T HA 0.204 4.555 4.350 0.001 0.000 0.204 322 T C 0.214 174.947 174.700 0.054 0.000 0.896 322 T CA -0.235 61.893 62.100 0.046 0.000 1.380 322 T CB -0.605 68.303 68.868 0.066 0.000 1.584 322 T HN 0.487 nan 8.240 nan 0.000 0.411 323 Y N 3.381 123.682 120.300 0.001 0.000 2.319 323 Y HA 0.547 5.098 4.550 0.001 0.000 0.328 323 Y C -0.471 175.431 175.900 0.003 0.000 1.133 323 Y CA -0.697 57.405 58.100 0.003 0.000 1.265 323 Y CB 0.368 38.829 38.460 0.001 0.000 1.218 323 Y HN 0.349 nan 8.280 nan 0.000 0.508 324 N N 4.361 122.549 118.700 -0.853 0.000 2.277 324 N HA 0.108 4.848 4.740 0.001 0.000 0.286 324 N C -0.195 174.845 175.510 -0.782 0.000 1.140 324 N CA -0.763 51.969 53.050 -0.531 0.000 0.799 324 N CB 1.984 40.313 38.487 -0.263 0.000 1.596 324 N HN 0.511 nan 8.380 nan 0.000 0.473 325 K N 0.986 121.188 120.400 -0.331 0.000 2.442 325 K HA -0.054 4.267 4.320 0.001 0.000 0.198 325 K C 0.265 176.775 176.600 -0.150 0.000 1.044 325 K CA 1.396 57.588 56.287 -0.158 0.000 0.948 325 K CB -0.120 32.395 32.500 0.025 0.000 0.762 325 K HN 0.450 nan 8.250 nan 0.000 0.472 326 D N 0.341 120.635 120.400 -0.177 0.000 2.158 326 D HA -0.188 4.452 4.640 0.001 0.000 0.197 326 D C 1.463 177.687 176.300 -0.127 0.000 0.995 326 D CA 1.301 55.226 54.000 -0.125 0.000 0.846 326 D CB -0.126 40.602 40.800 -0.121 0.000 0.941 326 D HN 0.219 nan 8.370 nan 0.000 0.456 327 L N 0.370 121.476 121.223 -0.193 0.000 2.261 327 L HA -0.213 4.127 4.340 0.001 0.000 0.216 327 L C 2.392 179.237 176.870 -0.041 0.000 1.114 327 L CA 0.877 55.638 54.840 -0.133 0.000 0.777 327 L CB -0.522 41.431 42.059 -0.178 0.000 0.910 327 L HN 0.130 nan 8.230 nan 0.000 0.440 328 Q N 0.360 120.160 119.800 -0.000 0.000 2.364 328 Q HA -0.197 4.144 4.340 0.001 0.000 0.209 328 Q C 1.694 177.702 176.000 0.014 0.000 0.977 328 Q CA 0.971 56.818 55.803 0.072 0.000 0.885 328 Q CB 0.167 28.981 28.738 0.126 0.000 0.941 328 Q HN 0.435 nan 8.270 nan 0.000 0.464 329 E N 1.131 121.301 120.200 -0.050 0.000 2.472 329 E HA -0.147 4.203 4.350 0.001 0.000 0.200 329 E C 1.174 177.681 176.600 -0.155 0.000 1.046 329 E CA 1.008 57.341 56.400 -0.112 0.000 0.871 329 E CB 0.049 29.686 29.700 -0.104 0.000 0.806 329 E HN 0.648 nan 8.360 nan 0.000 0.533 330 D N 0.928 121.247 120.400 -0.135 0.000 2.117 330 D HA -0.183 4.457 4.640 0.001 0.000 0.198 330 D C 1.597 177.741 176.300 -0.259 0.000 0.982 330 D CA 1.002 54.897 54.000 -0.175 0.000 0.828 330 D CB -0.346 40.359 40.800 -0.159 0.000 0.967 330 D HN 0.066 nan 8.370 nan 0.000 0.464 331 K N 0.352 120.570 120.400 -0.304 0.000 2.026 331 K HA -0.114 4.207 4.320 0.001 0.000 0.208 331 K C 2.319 178.423 176.600 -0.827 0.000 1.048 331 K CA 1.532 57.445 56.287 -0.622 0.000 0.929 331 K CB -0.094 32.178 32.500 -0.380 0.000 0.713 331 K HN 0.227 nan 8.250 nan 0.000 0.439 332 E N 0.207 120.086 120.200 -0.535 0.000 2.153 332 E HA -0.176 4.174 4.350 0.001 0.000 0.194 332 E C 1.951 178.439 176.600 -0.187 0.000 0.988 332 E CA 0.963 57.160 56.400 -0.339 0.000 0.811 332 E CB -0.054 29.390 29.700 -0.426 0.000 0.746 332 E HN 0.349 nan 8.360 nan 0.000 0.466 333 A N 0.708 123.407 122.820 -0.201 0.000 1.898 333 A HA -0.120 4.200 4.320 0.001 0.000 0.216 333 A C 2.462 180.041 177.584 -0.009 0.000 1.181 333 A CA 0.996 52.977 52.037 -0.095 0.000 0.620 333 A CB -0.544 18.394 19.000 -0.103 0.000 0.819 333 A HN 0.119 nan 8.150 nan 0.000 0.442 334 V N -0.879 118.988 119.914 -0.078 0.000 2.358 334 V HA -0.241 3.879 4.120 0.001 0.000 0.246 334 V C 2.321 178.546 176.094 0.219 0.000 1.047 334 V CA 1.882 64.224 62.300 0.070 0.000 1.035 334 V CB -0.961 30.800 31.823 -0.104 0.000 0.658 334 V HN 0.634 nan 8.190 nan 0.000 0.452 335 F N 0.343 120.350 119.950 0.096 0.000 2.102 335 F HA -0.223 4.305 4.527 0.001 0.000 0.298 335 F C 2.518 178.395 175.800 0.128 0.000 1.105 335 F CA 1.466 59.528 58.000 0.103 0.000 1.239 335 F CB -0.314 38.679 39.000 -0.013 0.000 0.991 335 F HN 0.252 nan 8.300 nan 0.000 0.474 336 D N 0.577 121.143 120.400 0.276 0.000 2.097 336 D HA -0.154 4.487 4.640 0.001 0.000 0.195 336 D C 2.102 178.509 176.300 0.178 0.000 0.989 336 D CA 1.279 55.383 54.000 0.174 0.000 0.827 336 D CB -0.297 40.557 40.800 0.091 0.000 0.966 336 D HN 0.034 nan 8.370 nan 0.000 0.456 337 V N -0.050 119.986 119.914 0.205 0.000 2.427 337 V HA -0.179 3.942 4.120 0.001 0.000 0.248 337 V C 2.723 179.003 176.094 0.310 0.000 1.051 337 V CA 1.166 63.590 62.300 0.207 0.000 1.048 337 V CB -0.328 31.611 31.823 0.193 0.000 0.666 337 V HN 0.127 nan 8.190 nan 0.000 0.456 338 V N 0.352 120.528 119.914 0.436 0.000 2.295 338 V HA -0.249 3.872 4.120 0.001 0.000 0.246 338 V C 2.274 178.533 176.094 0.275 0.000 1.049 338 V CA 2.285 64.836 62.300 0.418 0.000 1.024 338 V CB -0.619 31.445 31.823 0.402 0.000 0.648 338 V HN 0.577 nan 8.190 nan 0.000 0.447 339 D N -0.585 119.958 120.400 0.238 0.000 2.144 339 D HA -0.111 4.529 4.640 0.001 0.000 0.200 339 D C 2.244 178.615 176.300 0.118 0.000 0.978 339 D CA 1.589 55.685 54.000 0.160 0.000 0.833 339 D CB -0.369 40.512 40.800 0.136 0.000 0.961 339 D HN 0.383 nan 8.370 nan 0.000 0.470 340 T N 1.419 116.044 114.554 0.117 0.000 2.674 340 T HA -0.059 4.291 4.350 0.001 0.000 0.265 340 T C 2.227 176.963 174.700 0.059 0.000 1.039 340 T CA 0.566 62.709 62.100 0.071 0.000 1.150 340 T CB -0.281 68.619 68.868 0.054 0.000 0.864 340 T HN 0.112 nan 8.240 nan 0.000 0.427 341 L N 0.679 121.956 121.223 0.089 0.000 2.017 341 L HA -0.136 4.204 4.340 0.001 0.000 0.208 341 L C 2.923 179.848 176.870 0.092 0.000 1.073 341 L CA 1.367 56.257 54.840 0.083 0.000 0.745 341 L CB -1.222 40.926 42.059 0.148 0.000 0.894 341 L HN 0.310 nan 8.230 nan 0.000 0.432 342 T N -0.087 114.542 114.554 0.124 0.000 2.746 342 T HA -0.166 4.184 4.350 0.001 0.000 0.267 342 T C 1.959 176.619 174.700 -0.068 0.000 1.039 342 T CA 1.382 63.533 62.100 0.086 0.000 1.142 342 T CB -0.165 68.793 68.868 0.150 0.000 0.866 342 T HN 0.462 nan 8.240 nan 0.000 0.444 343 A N 0.737 123.547 122.820 -0.015 0.000 1.872 343 A HA 0.025 4.345 4.320 0.001 0.000 0.214 343 A C 2.583 180.143 177.584 -0.040 0.000 1.187 343 A CA 1.035 53.053 52.037 -0.031 0.000 0.614 343 A CB -0.985 18.020 19.000 0.008 0.000 0.826 343 A HN 0.319 nan 8.150 nan 0.000 0.442 344 V N 0.263 120.164 119.914 -0.022 0.000 2.332 344 V HA -0.266 3.855 4.120 0.001 0.000 0.248 344 V C 2.600 178.664 176.094 -0.051 0.000 1.055 344 V CA 2.047 64.328 62.300 -0.031 0.000 1.038 344 V CB -0.714 31.093 31.823 -0.026 0.000 0.651 344 V HN 0.564 nan 8.190 nan 0.000 0.450 345 L N -0.706 120.492 121.223 -0.042 0.000 2.046 345 L HA -0.250 4.091 4.340 0.001 0.000 0.208 345 L C 2.655 179.479 176.870 -0.077 0.000 1.077 345 L CA 1.700 56.520 54.840 -0.033 0.000 0.747 345 L CB -0.552 41.533 42.059 0.044 0.000 0.896 345 L HN 0.388 nan 8.230 nan 0.000 0.432 346 Q N -0.886 118.827 119.800 -0.144 0.000 2.123 346 Q HA -0.139 4.202 4.340 0.001 0.000 0.199 346 Q C 2.354 178.297 176.000 -0.096 0.000 0.966 346 Q CA 1.191 56.911 55.803 -0.139 0.000 0.845 346 Q CB -0.087 28.526 28.738 -0.209 0.000 0.907 346 Q HN 0.349 nan 8.270 nan 0.000 0.439 347 V N 1.076 120.939 119.914 -0.085 0.000 2.358 347 V HA -0.263 3.857 4.120 0.001 0.000 0.246 347 V C 2.287 178.192 176.094 -0.314 0.000 1.047 347 V CA 1.765 63.988 62.300 -0.128 0.000 1.035 347 V CB -0.947 30.865 31.823 -0.019 0.000 0.658 347 V HN 0.381 nan 8.190 nan 0.000 0.452 348 A N -0.206 122.496 122.820 -0.196 0.000 1.883 348 A HA -0.255 4.065 4.320 0.001 0.000 0.217 348 A C 2.413 179.869 177.584 -0.214 0.000 1.186 348 A CA 2.646 54.565 52.037 -0.196 0.000 0.624 348 A CB -1.107 17.820 19.000 -0.121 0.000 0.822 348 A HN 0.484 nan 8.150 nan 0.000 0.444 349 T N -0.236 114.225 114.554 -0.156 0.000 2.684 349 T HA -0.094 4.256 4.350 0.001 0.000 0.267 349 T C 1.954 176.555 174.700 -0.165 0.000 1.036 349 T CA 1.687 63.721 62.100 -0.110 0.000 1.148 349 T CB -0.722 68.120 68.868 -0.043 0.000 0.863 349 T HN 0.621 nan 8.240 nan 0.000 0.436 350 G N 0.884 109.512 108.800 -0.287 0.000 2.421 350 G HA2 -0.180 3.781 3.960 0.001 0.000 0.216 350 G HA3 -0.180 3.781 3.960 0.001 0.000 0.216 350 G C 1.719 176.230 174.900 -0.647 0.000 1.171 350 G CA 0.952 45.810 45.100 -0.403 0.000 0.775 350 G HN 0.439 nan 8.290 nan 0.000 0.543 351 V N 1.525 120.897 119.914 -0.903 0.000 2.261 351 V HA -0.164 3.956 4.120 0.001 0.000 0.246 351 V C 2.815 178.809 176.094 -0.166 0.000 1.047 351 V CA 1.308 63.291 62.300 -0.528 0.000 1.015 351 V CB -0.365 31.228 31.823 -0.383 0.000 0.642 351 V HN 0.268 nan 8.190 nan 0.000 0.446 352 I N 1.244 121.735 120.570 -0.131 0.000 2.179 352 I HA -0.184 3.987 4.170 0.001 0.000 0.242 352 I C 2.732 178.871 176.117 0.036 0.000 1.088 352 I CA 2.298 63.591 61.300 -0.013 0.000 1.357 352 I CB -1.504 36.480 38.000 -0.028 0.000 1.051 352 I HN 0.557 nan 8.210 nan 0.000 0.409 353 S N -0.070 115.636 115.700 0.010 0.000 2.428 353 S HA -0.109 4.362 4.470 0.001 0.000 0.230 353 S C 1.755 176.407 174.600 0.087 0.000 1.014 353 S CA 1.379 59.612 58.200 0.055 0.000 0.957 353 S CB -0.799 62.430 63.200 0.049 0.000 0.784 353 S HN 0.606 nan 8.310 nan 0.000 0.499 354 T N -0.158 114.456 114.554 0.100 0.000 3.023 354 T HA 0.428 4.778 4.350 0.001 0.000 0.253 354 T C 0.469 175.251 174.700 0.137 0.000 1.038 354 T CA -0.352 61.833 62.100 0.142 0.000 0.962 354 T CB -0.731 68.276 68.868 0.232 0.000 1.018 354 T HN 0.427 nan 8.240 nan 0.000 0.521 355 L N 0.620 121.919 121.223 0.127 0.000 2.473 355 L HA 0.502 4.843 4.340 0.001 0.000 0.268 355 L C -0.237 176.697 176.870 0.107 0.000 1.215 355 L CA -0.271 54.644 54.840 0.125 0.000 0.823 355 L CB -0.001 42.142 42.059 0.138 0.000 1.099 355 L HN 0.058 nan 8.230 nan 0.000 0.483 356 Q N 2.827 122.674 119.800 0.078 0.000 2.333 356 Q HA 0.617 4.957 4.340 0.001 0.000 0.267 356 Q C -0.631 175.369 176.000 -0.000 0.000 1.012 356 Q CA -0.682 55.146 55.803 0.043 0.000 0.824 356 Q CB 2.591 31.350 28.738 0.035 0.000 1.290 356 Q HN 0.798 nan 8.270 nan 0.000 0.449 357 I N -1.494 119.041 120.570 -0.059 0.000 2.783 357 I HA 0.527 4.698 4.170 0.001 0.000 0.312 357 I C 0.046 176.080 176.117 -0.138 0.000 0.988 357 I CA -0.617 60.576 61.300 -0.178 0.000 1.182 357 I CB 1.738 39.482 38.000 -0.427 0.000 1.368 357 I HN 0.361 nan 8.210 nan 0.000 0.511 358 S N 2.685 118.294 115.700 -0.152 0.000 2.505 358 S HA 0.324 4.794 4.470 0.001 0.000 0.280 358 S C 0.722 175.231 174.600 -0.152 0.000 1.197 358 S CA -0.767 57.376 58.200 -0.096 0.000 1.138 358 S CB 0.270 63.455 63.200 -0.025 0.000 1.010 358 S HN 0.765 nan 8.310 nan 0.000 0.480 359 K N 2.442 122.749 120.400 -0.155 0.000 2.113 359 K HA -0.182 4.139 4.320 0.001 0.000 0.208 359 K C 1.861 178.385 176.600 -0.127 0.000 1.047 359 K CA 1.632 57.820 56.287 -0.166 0.000 0.928 359 K CB -0.048 32.387 32.500 -0.109 0.000 0.716 359 K HN 0.735 nan 8.250 nan 0.000 0.446 360 E N 1.021 121.173 120.200 -0.080 0.000 2.038 360 E HA -0.214 4.136 4.350 0.001 0.000 0.195 360 E C 1.650 178.221 176.600 -0.048 0.000 1.000 360 E CA 1.328 57.696 56.400 -0.053 0.000 0.803 360 E CB 0.103 29.785 29.700 -0.030 0.000 0.750 360 E HN 0.260 nan 8.360 nan 0.000 0.448 361 N N 0.020 118.707 118.700 -0.022 0.000 2.270 361 N HA -0.104 4.636 4.740 0.001 0.000 0.181 361 N C 1.822 177.356 175.510 0.040 0.000 1.016 361 N CA 1.050 54.127 53.050 0.047 0.000 0.870 361 N CB -0.202 38.357 38.487 0.121 0.000 0.979 361 N HN 0.276 nan 8.380 nan 0.000 0.431 362 M N 0.416 119.922 119.600 -0.157 0.000 2.117 362 M HA -0.097 4.384 4.480 0.001 0.000 0.262 362 M C 2.014 178.104 176.300 -0.349 0.000 1.065 362 M CA 1.238 56.231 55.300 -0.512 0.000 1.114 362 M CB -0.113 32.109 32.600 -0.630 0.000 1.361 362 M HN 0.042 nan 8.290 nan 0.000 0.408 363 E N 0.825 120.886 120.200 -0.232 0.000 2.107 363 E HA -0.180 4.170 4.350 0.001 0.000 0.191 363 E C 1.792 178.279 176.600 -0.187 0.000 0.982 363 E CA 1.218 57.495 56.400 -0.204 0.000 0.809 363 E CB -0.028 29.604 29.700 -0.113 0.000 0.756 363 E HN 0.395 nan 8.360 nan 0.000 0.459 364 K N -0.023 120.312 120.400 -0.108 0.000 2.147 364 K HA -0.058 4.263 4.320 0.001 0.000 0.205 364 K C 1.897 178.450 176.600 -0.079 0.000 1.049 364 K CA 1.023 57.271 56.287 -0.065 0.000 0.936 364 K CB -0.081 32.405 32.500 -0.024 0.000 0.722 364 K HN 0.074 nan 8.250 nan 0.000 0.446 365 A N 0.823 123.599 122.820 -0.074 0.000 2.121 365 A HA 0.022 4.343 4.320 0.001 0.000 0.218 365 A C 0.699 178.175 177.584 -0.179 0.000 1.154 365 A CA 0.431 52.440 52.037 -0.047 0.000 0.679 365 A CB -0.333 18.751 19.000 0.141 0.000 0.795 365 A HN 0.210 nan 8.150 nan 0.000 0.458 366 L N 1.911 122.919 121.223 -0.358 0.000 2.418 366 L HA 0.231 4.571 4.340 0.001 0.000 0.274 366 L C 0.611 177.245 176.870 -0.393 0.000 1.135 366 L CA -0.117 54.324 54.840 -0.666 0.000 0.870 366 L CB 0.534 41.710 42.059 -1.472 0.000 1.154 366 L HN 0.379 nan 8.230 nan 0.000 0.462 367 T N -0.271 114.211 114.554 -0.120 0.000 2.912 367 T HA 0.435 4.786 4.350 0.001 0.000 0.288 367 T C -2.167 172.734 174.700 0.334 0.000 1.030 367 T CA -2.073 60.102 62.100 0.124 0.000 1.020 367 T CB 2.211 71.104 68.868 0.042 0.000 1.056 367 T HN 0.188 nan 8.240 nan 0.000 0.480 368 P HA -0.018 nan 4.420 nan 0.000 0.218 368 P C 1.128 178.528 177.300 0.168 0.000 1.149 368 P CA 0.876 64.095 63.100 0.199 0.000 0.817 368 P CB 0.078 31.800 31.700 0.036 0.000 0.785 369 E N -0.729 119.538 120.200 0.111 0.000 2.171 369 E HA -0.150 4.200 4.350 0.001 0.000 0.197 369 E C 1.716 178.380 176.600 0.106 0.000 0.997 369 E CA 1.251 57.702 56.400 0.084 0.000 0.810 369 E CB -1.008 28.722 29.700 0.050 0.000 0.738 369 E HN 0.312 nan 8.360 nan 0.000 0.467 370 M N -0.181 119.498 119.600 0.132 0.000 2.686 370 M HA -0.003 4.477 4.480 0.001 0.000 0.246 370 M C 0.662 177.057 176.300 0.159 0.000 1.096 370 M CA 0.727 56.102 55.300 0.125 0.000 1.076 370 M CB 0.142 32.802 32.600 0.102 0.000 1.504 370 M HN 0.052 nan 8.290 nan 0.000 0.524 371 L N -1.196 120.132 121.223 0.175 0.000 2.769 371 L HA 0.304 4.644 4.340 0.001 0.000 0.240 371 L C 2.214 179.135 176.870 0.086 0.000 1.163 371 L CA -0.356 54.564 54.840 0.134 0.000 0.962 371 L CB -0.367 41.773 42.059 0.135 0.000 1.258 371 L HN 0.183 nan 8.230 nan 0.000 0.513 372 A N 0.162 123.035 122.820 0.089 0.000 1.969 372 A HA -0.137 4.183 4.320 0.001 0.000 0.218 372 A C 2.313 179.893 177.584 -0.006 0.000 1.169 372 A CA 2.092 54.160 52.037 0.052 0.000 0.635 372 A CB -0.500 18.528 19.000 0.047 0.000 0.810 372 A HN 0.297 nan 8.150 nan 0.000 0.445 373 T N 0.346 114.907 114.554 0.012 0.000 2.746 373 T HA -0.112 4.238 4.350 0.001 0.000 0.267 373 T C 1.386 176.090 174.700 0.006 0.000 1.039 373 T CA 1.616 63.712 62.100 -0.007 0.000 1.142 373 T CB -0.374 68.547 68.868 0.087 0.000 0.866 373 T HN 0.480 nan 8.240 nan 0.000 0.444 374 D N 0.778 121.197 120.400 0.031 0.000 2.224 374 D HA 0.007 4.647 4.640 0.001 0.000 0.205 374 D C 1.928 178.221 176.300 -0.011 0.000 0.965 374 D CA 0.331 54.340 54.000 0.014 0.000 0.852 374 D CB -0.353 40.441 40.800 -0.009 0.000 0.947 374 D HN 0.200 nan 8.370 nan 0.000 0.494 375 L N 0.861 122.063 121.223 -0.035 0.000 2.056 375 L HA -0.012 4.328 4.340 0.001 0.000 0.207 375 L C 2.095 179.033 176.870 0.113 0.000 1.078 375 L CA 1.407 56.246 54.840 -0.001 0.000 0.749 375 L CB -0.682 41.386 42.059 0.016 0.000 0.901 375 L HN -0.032 nan 8.230 nan 0.000 0.433 376 A N -0.588 122.232 122.820 0.000 0.000 1.877 376 A HA -0.165 4.156 4.320 0.001 0.000 0.216 376 A C 2.250 179.852 177.584 0.030 0.000 1.186 376 A CA 1.865 53.862 52.037 -0.067 0.000 0.620 376 A CB -0.918 17.820 19.000 -0.435 0.000 0.822 376 A HN 0.463 nan 8.150 nan 0.000 0.443 377 L N -1.823 119.430 121.223 0.050 0.000 2.127 377 L HA -0.236 4.104 4.340 0.001 0.000 0.211 377 L C 2.552 179.462 176.870 0.067 0.000 1.089 377 L CA 1.841 56.726 54.840 0.075 0.000 0.757 377 L CB -0.666 41.426 42.059 0.055 0.000 0.899 377 L HN 0.654 nan 8.230 nan 0.000 0.434 378 Y N 0.691 120.970 120.300 -0.035 0.000 2.128 378 Y HA -0.289 4.261 4.550 0.001 0.000 0.284 378 Y C 2.308 178.174 175.900 -0.057 0.000 1.154 378 Y CA 1.713 59.791 58.100 -0.037 0.000 1.149 378 Y CB -0.157 38.301 38.460 -0.003 0.000 0.976 378 Y HN 0.012 nan 8.280 nan 0.000 0.505 379 L N -1.091 120.194 121.223 0.104 0.000 2.093 379 L HA -0.189 4.152 4.340 0.001 0.000 0.208 379 L C 2.375 179.182 176.870 -0.105 0.000 1.085 379 L CA 0.809 55.597 54.840 -0.086 0.000 0.755 379 L CB -0.648 41.337 42.059 -0.124 0.000 0.904 379 L HN 0.143 nan 8.230 nan 0.000 0.435 380 V N 0.009 119.905 119.914 -0.029 0.000 2.332 380 V HA -0.284 3.837 4.120 0.001 0.000 0.248 380 V C 2.513 178.574 176.094 -0.055 0.000 1.055 380 V CA 1.754 64.055 62.300 0.002 0.000 1.038 380 V CB -0.608 31.266 31.823 0.084 0.000 0.651 380 V HN 0.429 nan 8.190 nan 0.000 0.450 381 R N -0.006 120.430 120.500 -0.107 0.000 2.285 381 R HA -0.051 4.290 4.340 0.001 0.000 0.213 381 R C 1.690 177.887 176.300 -0.171 0.000 1.068 381 R CA 0.551 56.570 56.100 -0.134 0.000 1.004 381 R CB -0.087 30.118 30.300 -0.159 0.000 0.873 381 R HN 0.402 nan 8.270 nan 0.000 0.467 382 K N -0.627 119.644 120.400 -0.215 0.000 2.374 382 K HA 0.143 4.463 4.320 0.001 0.000 0.196 382 K C 1.008 177.535 176.600 -0.122 0.000 1.023 382 K CA 0.686 56.851 56.287 -0.202 0.000 1.103 382 K CB 1.241 33.575 32.500 -0.276 0.000 0.848 382 K HN 0.359 nan 8.250 nan 0.000 0.528 383 G N 0.914 109.660 108.800 -0.091 0.000 2.176 383 G HA2 -0.236 3.724 3.960 0.001 0.000 0.232 383 G HA3 -0.236 3.724 3.960 0.001 0.000 0.232 383 G C 0.199 175.075 174.900 -0.040 0.000 0.986 383 G CA -0.005 45.062 45.100 -0.055 0.000 0.643 383 G HN 0.099 nan 8.290 nan 0.000 0.522 384 V N 2.526 122.408 119.914 -0.053 0.000 2.637 384 V HA 0.355 4.476 4.120 0.001 0.000 0.296 384 V C -1.177 174.922 176.094 0.008 0.000 1.046 384 V CA -0.815 61.462 62.300 -0.037 0.000 1.066 384 V CB 1.058 32.838 31.823 -0.071 0.000 0.968 384 V HN 0.164 nan 8.190 nan 0.000 0.483 385 P HA 0.051 nan 4.420 nan 0.000 0.269 385 P C 0.580 177.954 177.300 0.124 0.000 1.209 385 P CA -0.187 62.959 63.100 0.076 0.000 0.776 385 P CB 0.366 32.102 31.700 0.060 0.000 0.876 386 F N 3.664 123.623 119.950 0.015 0.000 2.063 386 F HA -0.323 4.205 4.527 0.001 0.000 0.298 386 F C 2.328 178.154 175.800 0.044 0.000 1.105 386 F CA 1.989 60.009 58.000 0.033 0.000 1.215 386 F CB -0.263 38.715 39.000 -0.036 0.000 0.972 386 F HN 0.164 nan 8.300 nan 0.000 0.483 387 R N 0.749 121.214 120.500 -0.059 0.000 2.073 387 R HA -0.208 4.133 4.340 0.001 0.000 0.234 387 R C 2.404 178.637 176.300 -0.112 0.000 1.134 387 R CA 2.215 58.208 56.100 -0.178 0.000 0.952 387 R CB -1.124 29.187 30.300 0.018 0.000 0.850 387 R HN 0.626 nan 8.270 nan 0.000 0.433 388 Q N -0.888 118.889 119.800 -0.038 0.000 2.167 388 Q HA -0.041 4.299 4.340 0.001 0.000 0.202 388 Q C 1.771 177.753 176.000 -0.031 0.000 0.970 388 Q CA 1.532 57.320 55.803 -0.026 0.000 0.855 388 Q CB -0.162 28.567 28.738 -0.015 0.000 0.911 388 Q HN 0.435 nan 8.270 nan 0.000 0.438 389 A N -0.207 122.597 122.820 -0.027 0.000 1.930 389 A HA -0.199 4.121 4.320 0.001 0.000 0.217 389 A C 1.528 179.088 177.584 -0.040 0.000 1.175 389 A CA 1.664 53.686 52.037 -0.025 0.000 0.627 389 A CB -0.734 18.279 19.000 0.022 0.000 0.815 389 A HN 0.491 nan 8.150 nan 0.000 0.443 390 H N -0.564 118.369 119.070 -0.228 0.000 2.395 390 H HA -0.021 4.536 4.556 0.001 0.000 0.299 390 H C 2.282 177.546 175.328 -0.106 0.000 1.070 390 H CA 1.892 57.813 56.048 -0.212 0.000 1.356 390 H CB -0.332 29.183 29.762 -0.412 0.000 1.401 390 H HN 0.443 nan 8.280 nan 0.000 0.524 391 T N -0.011 114.549 114.554 0.011 0.000 2.777 391 T HA -0.118 4.232 4.350 0.001 0.000 0.266 391 T C 2.336 177.052 174.700 0.027 0.000 1.040 391 T CA 1.097 63.203 62.100 0.010 0.000 1.141 391 T CB -0.450 68.417 68.868 -0.002 0.000 0.868 391 T HN 0.464 nan 8.240 nan 0.000 0.444 392 A N 1.141 123.980 122.820 0.033 0.000 1.877 392 A HA -0.113 4.207 4.320 0.001 0.000 0.216 392 A C 2.580 180.255 177.584 0.152 0.000 1.186 392 A CA 2.164 54.256 52.037 0.092 0.000 0.620 392 A CB -1.157 17.875 19.000 0.054 0.000 0.822 392 A HN 0.446 nan 8.150 nan 0.000 0.443 393 S N -0.680 115.086 115.700 0.110 0.000 2.368 393 S HA -0.044 4.426 4.470 0.001 0.000 0.225 393 S C 2.052 176.691 174.600 0.066 0.000 1.030 393 S CA 1.734 59.996 58.200 0.103 0.000 0.999 393 S CB -0.733 62.465 63.200 -0.003 0.000 0.844 393 S HN 0.723 nan 8.310 nan 0.000 0.459 394 G N 1.211 110.036 108.800 0.040 0.000 2.442 394 G HA2 -0.187 3.773 3.960 0.001 0.000 0.219 394 G HA3 -0.187 3.773 3.960 0.001 0.000 0.219 394 G C 1.567 176.514 174.900 0.079 0.000 1.141 394 G CA 0.722 45.851 45.100 0.048 0.000 0.763 394 G HN 0.534 nan 8.290 nan 0.000 0.554 395 K N 0.537 120.986 120.400 0.082 0.000 2.025 395 K HA 0.090 4.410 4.320 0.001 0.000 0.207 395 K C 2.995 179.665 176.600 0.118 0.000 1.049 395 K CA 0.905 57.255 56.287 0.105 0.000 0.933 395 K CB -0.245 32.309 32.500 0.090 0.000 0.714 395 K HN 0.253 nan 8.250 nan 0.000 0.438 396 A N 1.362 124.238 122.820 0.094 0.000 1.883 396 A HA -0.141 4.180 4.320 0.001 0.000 0.217 396 A C 2.422 180.020 177.584 0.023 0.000 1.186 396 A CA 1.532 53.589 52.037 0.034 0.000 0.624 396 A CB -0.796 18.200 19.000 -0.007 0.000 0.822 396 A HN 0.070 nan 8.150 nan 0.000 0.444 397 V N -0.522 119.422 119.914 0.050 0.000 2.332 397 V HA -0.297 3.823 4.120 0.001 0.000 0.248 397 V C 2.480 178.602 176.094 0.048 0.000 1.055 397 V CA 2.604 64.928 62.300 0.040 0.000 1.038 397 V CB -0.959 30.898 31.823 0.057 0.000 0.651 397 V HN 0.855 nan 8.190 nan 0.000 0.450 398 H N -0.477 118.592 119.070 -0.002 0.000 2.357 398 H HA -0.127 4.429 4.556 0.001 0.000 0.301 398 H C 1.917 177.238 175.328 -0.012 0.000 1.082 398 H CA 1.945 57.992 56.048 -0.003 0.000 1.342 398 H CB -0.110 29.655 29.762 0.004 0.000 1.389 398 H HN 0.276 nan 8.280 nan 0.000 0.511 399 L N 0.446 121.667 121.223 -0.003 0.000 2.046 399 L HA -0.048 4.292 4.340 0.001 0.000 0.208 399 L C 2.425 179.228 176.870 -0.112 0.000 1.077 399 L CA 2.019 56.822 54.840 -0.062 0.000 0.747 399 L CB -1.328 40.729 42.059 -0.004 0.000 0.896 399 L HN 0.379 nan 8.230 nan 0.000 0.432 400 A N -0.437 122.326 122.820 -0.095 0.000 1.883 400 A HA -0.272 4.048 4.320 0.001 0.000 0.217 400 A C 2.230 179.743 177.584 -0.118 0.000 1.186 400 A CA 1.804 53.777 52.037 -0.107 0.000 0.624 400 A CB -0.868 18.069 19.000 -0.105 0.000 0.822 400 A HN 0.604 nan 8.150 nan 0.000 0.444 401 E N 0.633 120.755 120.200 -0.131 0.000 2.097 401 E HA -0.200 4.150 4.350 0.001 0.000 0.196 401 E C 1.959 178.459 176.600 -0.167 0.000 1.000 401 E CA 2.738 59.055 56.400 -0.138 0.000 0.804 401 E CB -0.939 28.676 29.700 -0.141 0.000 0.740 401 E HN 0.650 nan 8.360 nan 0.000 0.454 402 T N -1.621 112.788 114.554 -0.241 0.000 2.833 402 T HA -0.117 4.233 4.350 0.001 0.000 0.269 402 T C 1.688 176.318 174.700 -0.118 0.000 1.054 402 T CA 1.430 63.411 62.100 -0.198 0.000 1.135 402 T CB -0.266 68.469 68.868 -0.221 0.000 0.869 402 T HN 0.184 nan 8.240 nan 0.000 0.466 403 K N 0.857 121.192 120.400 -0.109 0.000 2.459 403 K HA 0.313 4.633 4.320 0.001 0.000 0.193 403 K C 1.405 177.960 176.600 -0.075 0.000 1.030 403 K CA 0.314 56.552 56.287 -0.082 0.000 1.026 403 K CB -0.055 32.397 32.500 -0.080 0.000 0.809 403 K HN 0.537 nan 8.250 nan 0.000 0.504 404 G N 2.740 111.492 108.800 -0.080 0.000 2.198 404 G HA2 -0.249 3.711 3.960 0.001 0.000 0.257 404 G HA3 -0.249 3.711 3.960 0.001 0.000 0.257 404 G C 0.049 174.908 174.900 -0.069 0.000 1.042 404 G CA 0.687 45.747 45.100 -0.067 0.000 0.791 404 G HN 0.466 nan 8.290 nan 0.000 0.502 405 I N -3.388 117.132 120.570 -0.082 0.000 3.145 405 I HA 0.904 5.074 4.170 0.001 0.000 0.313 405 I C 0.330 176.384 176.117 -0.105 0.000 1.122 405 I CA -0.739 60.506 61.300 -0.092 0.000 0.987 405 I CB 2.035 39.974 38.000 -0.103 0.000 1.236 405 I HN 0.199 nan 8.210 nan 0.000 0.453 406 T N -0.118 114.362 114.554 -0.123 0.000 2.922 406 T HA 0.412 4.762 4.350 0.001 0.000 0.285 406 T C 1.397 175.963 174.700 -0.223 0.000 1.005 406 T CA -0.524 61.492 62.100 -0.140 0.000 1.061 406 T CB 1.527 70.320 68.868 -0.126 0.000 1.007 406 T HN 0.746 nan 8.240 nan 0.000 0.502 407 I N 0.377 120.811 120.570 -0.226 0.000 2.335 407 I HA -0.193 3.977 4.170 0.001 0.000 0.251 407 I C 2.082 177.734 176.117 -0.775 0.000 1.129 407 I CA 1.549 62.658 61.300 -0.318 0.000 1.402 407 I CB -0.871 37.064 38.000 -0.107 0.000 1.069 407 I HN 0.707 nan 8.210 nan 0.000 0.424 408 N N 1.558 119.623 118.700 -1.060 0.000 2.573 408 N HA -0.157 4.584 4.740 0.001 0.000 0.187 408 N C 1.230 176.280 175.510 -0.765 0.000 1.107 408 N CA 0.813 52.894 53.050 -1.615 0.000 0.918 408 N CB -0.267 37.646 38.487 -0.957 0.000 0.966 408 N HN 0.459 nan 8.380 nan 0.000 0.448 409 K N 0.458 120.565 120.400 -0.488 0.000 2.353 409 K HA 0.289 4.609 4.320 0.001 0.000 0.195 409 K C 0.653 177.109 176.600 -0.239 0.000 1.031 409 K CA -0.301 55.812 56.287 -0.290 0.000 1.079 409 K CB 0.427 32.804 32.500 -0.205 0.000 0.857 409 K HN 0.222 nan 8.250 nan 0.000 0.535 410 L N 2.597 123.655 121.223 -0.275 0.000 2.506 410 L HA -0.032 4.309 4.340 0.001 0.000 0.281 410 L C 0.930 177.697 176.870 -0.172 0.000 1.228 410 L CA -0.025 54.694 54.840 -0.202 0.000 0.850 410 L CB 0.283 42.214 42.059 -0.213 0.000 1.110 410 L HN 0.078 nan 8.230 nan 0.000 0.496 411 S N 2.036 117.661 115.700 -0.125 0.000 2.617 411 S HA 0.143 4.613 4.470 0.001 0.000 0.269 411 S C 0.774 175.318 174.600 -0.094 0.000 1.292 411 S CA -0.842 57.301 58.200 -0.095 0.000 1.010 411 S CB 1.364 64.524 63.200 -0.067 0.000 0.944 411 S HN 0.550 nan 8.310 nan 0.000 0.536 412 L N 1.104 122.286 121.223 -0.068 0.000 2.127 412 L HA -0.052 4.289 4.340 0.001 0.000 0.211 412 L C 2.413 179.267 176.870 -0.027 0.000 1.089 412 L CA 2.088 56.897 54.840 -0.051 0.000 0.757 412 L CB -1.204 40.847 42.059 -0.014 0.000 0.899 412 L HN 1.030 nan 8.230 nan 0.000 0.434 413 E N -1.028 119.159 120.200 -0.023 0.000 2.072 413 E HA -0.221 4.130 4.350 0.001 0.000 0.191 413 E C 1.679 178.273 176.600 -0.011 0.000 0.985 413 E CA 1.185 57.582 56.400 -0.006 0.000 0.801 413 E CB 0.038 29.733 29.700 -0.008 0.000 0.750 413 E HN 0.501 nan 8.360 nan 0.000 0.452 414 D N 0.723 121.100 120.400 -0.038 0.000 2.106 414 D HA -0.196 4.444 4.640 0.001 0.000 0.191 414 D C 2.138 178.412 176.300 -0.043 0.000 0.997 414 D CA 1.021 54.994 54.000 -0.045 0.000 0.834 414 D CB -0.352 40.401 40.800 -0.078 0.000 0.956 414 D HN 0.241 nan 8.370 nan 0.000 0.448 415 L N 0.509 121.671 121.223 -0.102 0.000 2.012 415 L HA -0.197 4.143 4.340 0.001 0.000 0.210 415 L C 2.361 179.308 176.870 0.127 0.000 1.073 415 L CA 1.332 56.077 54.840 -0.158 0.000 0.748 415 L CB -0.331 41.450 42.059 -0.464 0.000 0.891 415 L HN 0.000 nan 8.230 nan 0.000 0.431 416 K N -0.213 120.263 120.400 0.125 0.000 2.280 416 K HA -0.127 4.194 4.320 0.001 0.000 0.202 416 K C 2.192 178.865 176.600 0.121 0.000 1.047 416 K CA 1.412 57.798 56.287 0.165 0.000 0.942 416 K CB -0.168 32.397 32.500 0.109 0.000 0.739 416 K HN 0.372 nan 8.250 nan 0.000 0.457 417 S N 1.065 116.816 115.700 0.083 0.000 2.507 417 S HA -0.096 4.374 4.470 0.001 0.000 0.235 417 S C 1.790 176.441 174.600 0.084 0.000 0.988 417 S CA 0.820 59.059 58.200 0.065 0.000 0.944 417 S CB -0.459 62.765 63.200 0.040 0.000 0.762 417 S HN 0.505 nan 8.310 nan 0.000 0.526 418 I N -2.105 118.545 120.570 0.134 0.000 3.883 418 I HA 0.431 4.601 4.170 0.001 0.000 0.305 418 I C 0.242 176.455 176.117 0.159 0.000 1.247 418 I CA -0.018 61.373 61.300 0.153 0.000 1.350 418 I CB 0.869 38.988 38.000 0.198 0.000 1.194 418 I HN 0.283 nan 8.210 nan 0.000 0.441 419 S N 0.709 116.537 115.700 0.214 0.000 2.616 419 S HA 0.447 4.918 4.470 0.001 0.000 0.276 419 S C -2.457 172.212 174.600 0.115 0.000 1.159 419 S CA -0.663 57.588 58.200 0.085 0.000 1.000 419 S CB 1.457 64.574 63.200 -0.138 0.000 1.117 419 S HN -0.074 nan 8.310 nan 0.000 0.464 420 P HA -0.046 nan 4.420 nan 0.000 0.228 420 P C 1.283 178.621 177.300 0.063 0.000 1.151 420 P CA 0.639 63.783 63.100 0.074 0.000 0.770 420 P CB 0.201 31.926 31.700 0.041 0.000 0.786 421 Q N -1.514 118.277 119.800 -0.014 0.000 2.364 421 Q HA -0.038 4.302 4.340 0.001 0.000 0.207 421 Q C 0.308 176.348 176.000 0.066 0.000 0.970 421 Q CA 0.717 56.491 55.803 -0.047 0.000 0.888 421 Q CB -0.578 28.061 28.738 -0.165 0.000 0.951 421 Q HN 0.319 nan 8.270 nan 0.000 0.469 422 F N 1.023 121.065 119.950 0.154 0.000 2.502 422 F HA 0.064 4.591 4.527 0.001 0.000 0.371 422 F C 0.844 176.716 175.800 0.119 0.000 1.083 422 F CA -0.083 58.008 58.000 0.150 0.000 1.174 422 F CB 0.535 39.545 39.000 0.018 0.000 1.096 422 F HN -0.291 nan 8.300 nan 0.000 0.545 423 S N 0.657 116.595 115.700 0.396 0.000 2.747 423 S HA 0.223 4.694 4.470 0.001 0.000 0.300 423 S C 1.060 175.756 174.600 0.160 0.000 1.121 423 S CA -0.336 58.008 58.200 0.239 0.000 0.995 423 S CB 1.562 64.900 63.200 0.230 0.000 1.113 423 S HN 0.647 nan 8.310 nan 0.000 0.547 424 S N 1.153 116.915 115.700 0.103 0.000 2.440 424 S HA -0.183 4.287 4.470 0.001 0.000 0.238 424 S C 1.193 175.828 174.600 0.058 0.000 1.010 424 S CA 1.498 59.733 58.200 0.059 0.000 0.972 424 S CB -0.719 62.508 63.200 0.044 0.000 0.774 424 S HN 0.845 nan 8.310 nan 0.000 0.501 425 D N 1.486 121.951 120.400 0.107 0.000 2.378 425 D HA -0.006 4.635 4.640 0.001 0.000 0.222 425 D C 1.618 177.974 176.300 0.093 0.000 0.980 425 D CA 0.433 54.503 54.000 0.117 0.000 0.907 425 D CB -0.655 40.242 40.800 0.161 0.000 0.899 425 D HN 0.381 nan 8.370 nan 0.000 0.527 426 V N 1.208 121.101 119.914 -0.035 0.000 2.867 426 V HA -0.243 3.878 4.120 0.001 0.000 0.260 426 V C 2.207 178.145 176.094 -0.260 0.000 1.099 426 V CA 2.109 64.158 62.300 -0.418 0.000 1.122 426 V CB -0.836 30.657 31.823 -0.549 0.000 0.708 426 V HN 0.426 nan 8.190 nan 0.000 0.490 427 S N -0.589 115.074 115.700 -0.063 0.000 2.419 427 S HA -0.314 4.156 4.470 0.001 0.000 0.235 427 S C 1.754 176.341 174.600 -0.022 0.000 1.019 427 S CA 1.696 59.919 58.200 0.038 0.000 0.982 427 S CB -0.551 62.671 63.200 0.038 0.000 0.789 427 S HN 0.775 nan 8.310 nan 0.000 0.490 428 Q N 0.448 120.207 119.800 -0.068 0.000 2.437 428 Q HA 0.083 4.423 4.340 0.001 0.000 0.210 428 Q C 2.031 177.929 176.000 -0.169 0.000 0.972 428 Q CA 0.872 56.631 55.803 -0.073 0.000 0.903 428 Q CB -0.321 28.407 28.738 -0.018 0.000 0.967 428 Q HN 0.507 nan 8.270 nan 0.000 0.486 429 V N -0.014 119.683 119.914 -0.362 0.000 2.427 429 V HA -0.170 3.951 4.120 0.001 0.000 0.248 429 V C 0.786 176.523 176.094 -0.595 0.000 1.051 429 V CA 1.278 63.254 62.300 -0.539 0.000 1.048 429 V CB -0.258 31.035 31.823 -0.884 0.000 0.666 429 V HN 0.283 nan 8.190 nan 0.000 0.456 430 F N 1.897 121.740 119.950 -0.179 0.000 2.640 430 F HA 0.364 4.891 4.527 0.001 0.000 0.354 430 F C 0.594 176.184 175.800 -0.350 0.000 1.213 430 F CA 0.031 57.867 58.000 -0.272 0.000 1.314 430 F CB -0.346 38.518 39.000 -0.226 0.000 1.679 430 F HN 0.109 nan 8.300 nan 0.000 0.622 431 N N 1.101 119.621 118.700 -0.301 0.000 2.542 431 N HA 0.111 4.851 4.740 0.001 0.000 0.288 431 N C 0.042 175.390 175.510 -0.270 0.000 1.115 431 N CA -0.462 52.418 53.050 -0.283 0.000 0.924 431 N CB 0.661 39.079 38.487 -0.114 0.000 1.526 431 N HN 0.186 nan 8.380 nan 0.000 0.515 432 F N 1.493 121.468 119.950 0.040 0.000 2.365 432 F HA -0.070 4.458 4.527 0.001 0.000 0.300 432 F C 2.164 177.987 175.800 0.039 0.000 1.090 432 F CA 0.492 58.514 58.000 0.036 0.000 1.408 432 F CB 0.313 39.326 39.000 0.022 0.000 1.060 432 F HN 0.300 nan 8.300 nan 0.000 0.534 433 V N 0.030 120.041 119.914 0.162 0.000 2.323 433 V HA -0.240 3.880 4.120 0.001 0.000 0.244 433 V C 1.977 178.122 176.094 0.084 0.000 1.041 433 V CA 1.703 64.072 62.300 0.115 0.000 1.025 433 V CB -0.614 31.257 31.823 0.079 0.000 0.656 433 V HN 0.265 nan 8.190 nan 0.000 0.451 434 N N 0.192 118.917 118.700 0.041 0.000 2.205 434 N HA -0.160 4.581 4.740 0.001 0.000 0.186 434 N C 2.106 177.635 175.510 0.032 0.000 1.015 434 N CA 1.731 54.790 53.050 0.015 0.000 0.862 434 N CB -0.538 37.934 38.487 -0.026 0.000 0.986 434 N HN 0.442 nan 8.380 nan 0.000 0.429 435 S N 0.301 116.041 115.700 0.068 0.000 2.343 435 S HA -0.108 4.362 4.470 0.001 0.000 0.219 435 S C 2.059 176.793 174.600 0.224 0.000 1.033 435 S CA 1.743 60.020 58.200 0.129 0.000 1.014 435 S CB -0.429 62.888 63.200 0.195 0.000 0.915 435 S HN 0.228 nan 8.310 nan 0.000 0.435 436 V N -0.163 119.894 119.914 0.237 0.000 2.809 436 V HA 0.109 4.230 4.120 0.001 0.000 0.256 436 V C 2.111 178.365 176.094 0.267 0.000 1.080 436 V CA 2.024 64.508 62.300 0.307 0.000 1.102 436 V CB -1.043 30.894 31.823 0.190 0.000 0.705 436 V HN 0.335 nan 8.190 nan 0.000 0.475 437 E N 0.609 120.891 120.200 0.136 0.000 2.418 437 E HA -0.100 4.251 4.350 0.001 0.000 0.197 437 E C 2.176 178.773 176.600 -0.005 0.000 1.026 437 E CA 0.857 57.300 56.400 0.072 0.000 0.862 437 E CB -0.446 29.280 29.700 0.043 0.000 0.799 437 E HN 0.785 nan 8.360 nan 0.000 0.518 438 Q N -1.039 118.699 119.800 -0.103 0.000 2.170 438 Q HA -0.131 4.209 4.340 0.001 0.000 0.203 438 Q C 0.232 175.977 176.000 -0.424 0.000 0.976 438 Q CA 0.885 56.485 55.803 -0.338 0.000 0.858 438 Q CB -0.104 28.264 28.738 -0.617 0.000 0.907 438 Q HN 0.434 nan 8.270 nan 0.000 0.433 439 Y N 0.884 121.200 120.300 0.027 0.000 3.028 439 Y HA -0.010 4.540 4.550 0.001 0.000 0.381 439 Y C 1.540 177.451 175.900 0.018 0.000 1.139 439 Y CA 0.338 58.453 58.100 0.024 0.000 2.013 439 Y CB -0.583 37.894 38.460 0.028 0.000 2.146 439 Y HN 0.138 nan 8.280 nan 0.000 0.412 440 T N -2.842 111.743 114.554 0.052 0.000 3.067 440 T HA 0.205 4.555 4.350 0.001 0.000 0.261 440 T C 1.179 175.905 174.700 0.044 0.000 1.110 440 T CA 0.166 62.291 62.100 0.043 0.000 1.113 440 T CB -0.063 68.810 68.868 0.009 0.000 0.917 440 T HN 0.398 nan 8.240 nan 0.000 0.499 441 A N 2.691 125.541 122.820 0.049 0.000 2.520 441 A HA 0.430 4.751 4.320 0.001 0.000 0.235 441 A C 0.672 178.286 177.584 0.049 0.000 1.065 441 A CA -0.521 51.542 52.037 0.043 0.000 0.764 441 A CB -0.197 18.833 19.000 0.050 0.000 1.002 441 A HN 0.460 nan 8.150 nan 0.000 0.502 442 L N 1.785 123.026 121.223 0.031 0.000 2.601 442 L HA 0.132 4.472 4.340 0.001 0.000 0.277 442 L C 1.595 178.479 176.870 0.024 0.000 1.219 442 L CA 2.418 57.272 54.840 0.024 0.000 0.915 442 L CB -0.626 41.440 42.059 0.013 0.000 1.160 442 L HN 1.406 nan 8.230 nan 0.000 0.494 443 G N 2.691 111.503 108.800 0.020 0.000 2.194 443 G HA2 -0.191 3.770 3.960 0.001 0.000 0.236 443 G HA3 -0.191 3.770 3.960 0.001 0.000 0.236 443 G C 0.574 175.483 174.900 0.014 0.000 0.987 443 G CA -0.025 45.080 45.100 0.007 0.000 0.635 443 G HN 1.003 nan 8.290 nan 0.000 0.520 444 G N -1.108 107.723 108.800 0.052 0.000 2.563 444 G HA2 0.466 4.427 3.960 0.001 0.000 0.283 444 G HA3 0.466 4.427 3.960 0.001 0.000 0.283 444 G C 0.955 175.894 174.900 0.065 0.000 1.309 444 G CA 1.000 46.148 45.100 0.079 0.000 1.022 444 G HN 0.655 nan 8.290 nan 0.000 0.501 445 T N -0.540 114.053 114.554 0.066 0.000 3.129 445 T HA 0.373 4.724 4.350 0.001 0.000 0.251 445 T C 1.302 176.073 174.700 0.118 0.000 1.117 445 T CA 0.668 62.802 62.100 0.057 0.000 1.034 445 T CB -0.797 68.063 68.868 -0.013 0.000 0.968 445 T HN 0.798 nan 8.240 nan 0.000 0.526 446 A N 1.166 124.085 122.820 0.165 0.000 2.483 446 A HA 0.280 4.600 4.320 0.001 0.000 0.238 446 A C 1.593 179.228 177.584 0.084 0.000 1.070 446 A CA -0.046 52.069 52.037 0.130 0.000 0.770 446 A CB 0.125 19.191 19.000 0.110 0.000 1.008 446 A HN 0.531 nan 8.150 nan 0.000 0.497 447 K N 1.168 121.611 120.400 0.071 0.000 2.074 447 K HA -0.210 4.110 4.320 0.001 0.000 0.209 447 K C 2.105 178.731 176.600 0.044 0.000 1.048 447 K CA 2.244 58.565 56.287 0.056 0.000 0.926 447 K CB -0.231 32.301 32.500 0.052 0.000 0.713 447 K HN 0.886 nan 8.250 nan 0.000 0.444 448 S N -0.269 115.455 115.700 0.040 0.000 2.399 448 S HA -0.156 4.314 4.470 0.001 0.000 0.231 448 S C 2.127 176.745 174.600 0.030 0.000 1.022 448 S CA 1.656 59.874 58.200 0.031 0.000 0.983 448 S CB -0.386 62.830 63.200 0.026 0.000 0.803 448 S HN 0.386 nan 8.310 nan 0.000 0.480 449 S N 0.642 116.365 115.700 0.038 0.000 2.387 449 S HA 0.011 4.482 4.470 0.001 0.000 0.226 449 S C 1.839 176.453 174.600 0.024 0.000 1.026 449 S CA 0.987 59.207 58.200 0.034 0.000 0.972 449 S CB -0.613 62.617 63.200 0.050 0.000 0.814 449 S HN 0.406 nan 8.310 nan 0.000 0.477 450 V N 1.721 121.652 119.914 0.028 0.000 2.343 450 V HA -0.142 3.978 4.120 0.001 0.000 0.247 450 V C 2.690 178.791 176.094 0.012 0.000 1.051 450 V CA 2.333 64.643 62.300 0.017 0.000 1.036 450 V CB -1.361 30.478 31.823 0.026 0.000 0.654 450 V HN 0.561 nan 8.190 nan 0.000 0.451 451 T N -0.532 114.034 114.554 0.019 0.000 2.720 451 T HA -0.221 4.129 4.350 0.001 0.000 0.268 451 T C 1.942 176.648 174.700 0.010 0.000 1.037 451 T CA 2.162 64.272 62.100 0.016 0.000 1.144 451 T CB -0.407 68.473 68.868 0.020 0.000 0.864 451 T HN 0.544 nan 8.240 nan 0.000 0.444 452 T N 2.201 116.760 114.554 0.010 0.000 2.746 452 T HA -0.120 4.230 4.350 0.001 0.000 0.267 452 T C 2.177 176.877 174.700 -0.001 0.000 1.039 452 T CA 1.174 63.277 62.100 0.006 0.000 1.142 452 T CB -0.311 68.561 68.868 0.007 0.000 0.866 452 T HN 0.493 nan 8.240 nan 0.000 0.444 453 Q N 0.246 120.043 119.800 -0.004 0.000 2.096 453 Q HA -0.066 4.274 4.340 0.001 0.000 0.204 453 Q C 2.368 178.359 176.000 -0.016 0.000 0.982 453 Q CA 1.360 57.154 55.803 -0.015 0.000 0.850 453 Q CB -0.428 28.295 28.738 -0.024 0.000 0.901 453 Q HN 0.517 nan 8.270 nan 0.000 0.422 454 I N 0.760 121.324 120.570 -0.011 0.000 2.208 454 I HA -0.295 3.875 4.170 0.001 0.000 0.245 454 I C 2.054 178.168 176.117 -0.005 0.000 1.097 454 I CA 1.344 62.639 61.300 -0.009 0.000 1.363 454 I CB -0.226 37.774 38.000 -0.001 0.000 1.051 454 I HN 0.247 nan 8.210 nan 0.000 0.413 455 E N 0.376 120.575 120.200 -0.002 0.000 2.077 455 E HA -0.274 4.076 4.350 0.001 0.000 0.193 455 E C 2.237 178.835 176.600 -0.003 0.000 0.989 455 E CA 1.226 57.626 56.400 -0.000 0.000 0.800 455 E CB -0.090 29.611 29.700 0.002 0.000 0.746 455 E HN 0.550 nan 8.360 nan 0.000 0.452 456 Q N -0.066 119.730 119.800 -0.006 0.000 2.119 456 Q HA -0.148 4.193 4.340 0.001 0.000 0.201 456 Q C 2.022 178.016 176.000 -0.010 0.000 0.972 456 Q CA 0.764 56.562 55.803 -0.008 0.000 0.847 456 Q CB 0.039 28.770 28.738 -0.011 0.000 0.903 456 Q HN 0.165 nan 8.270 nan 0.000 0.433 457 L N 0.575 121.790 121.223 -0.014 0.000 2.109 457 L HA -0.114 4.227 4.340 0.001 0.000 0.207 457 L C 2.329 179.194 176.870 -0.009 0.000 1.086 457 L CA 1.593 56.424 54.840 -0.016 0.000 0.760 457 L CB -0.782 41.263 42.059 -0.023 0.000 0.910 457 L HN 0.155 nan 8.230 nan 0.000 0.437 458 R N -0.302 120.194 120.500 -0.006 0.000 2.081 458 R HA -0.155 4.186 4.340 0.001 0.000 0.235 458 R C 2.010 178.308 176.300 -0.002 0.000 1.131 458 R CA 1.325 57.424 56.100 -0.003 0.000 0.960 458 R CB 0.051 30.351 30.300 0.000 0.000 0.856 458 R HN 0.327 nan 8.270 nan 0.000 0.436 459 E N 0.819 121.017 120.200 -0.003 0.000 2.072 459 E HA -0.200 4.151 4.350 0.001 0.000 0.191 459 E C 2.142 178.740 176.600 -0.004 0.000 0.985 459 E CA 0.836 57.234 56.400 -0.003 0.000 0.801 459 E CB -0.251 29.448 29.700 -0.003 0.000 0.750 459 E HN 0.417 nan 8.360 nan 0.000 0.452 460 L N 0.283 121.503 121.223 -0.005 0.000 2.017 460 L HA -0.167 4.174 4.340 0.001 0.000 0.208 460 L C 2.639 179.507 176.870 -0.003 0.000 1.073 460 L CA 1.061 55.898 54.840 -0.005 0.000 0.745 460 L CB -0.229 41.826 42.059 -0.007 0.000 0.894 460 L HN 0.176 nan 8.230 nan 0.000 0.432 461 M N -0.899 118.700 119.600 -0.003 0.000 2.159 461 M HA -0.257 4.224 4.480 0.001 0.000 0.263 461 M C 2.213 178.512 176.300 -0.003 0.000 1.063 461 M CA 1.703 57.003 55.300 -0.001 0.000 1.110 461 M CB -0.349 32.251 32.600 0.000 0.000 1.374 461 M HN 0.144 nan 8.290 nan 0.000 0.411 462 K N 0.381 120.779 120.400 -0.003 0.000 2.026 462 K HA -0.149 4.172 4.320 0.001 0.000 0.208 462 K C 2.009 178.606 176.600 -0.006 0.000 1.048 462 K CA 1.308 57.593 56.287 -0.004 0.000 0.929 462 K CB -0.207 32.291 32.500 -0.003 0.000 0.713 462 K HN 0.332 nan 8.250 nan 0.000 0.439 463 K N 1.011 121.408 120.400 -0.005 0.000 2.057 463 K HA -0.190 4.131 4.320 0.001 0.000 0.207 463 K C 2.301 178.896 176.600 -0.009 0.000 1.049 463 K CA 1.444 57.727 56.287 -0.007 0.000 0.931 463 K CB -0.027 32.470 32.500 -0.005 0.000 0.714 463 K HN 0.220 nan 8.250 nan 0.000 0.440 464 Q N 0.552 120.347 119.800 -0.007 0.000 2.046 464 Q HA -0.156 4.185 4.340 0.001 0.000 0.200 464 Q C 2.109 178.100 176.000 -0.015 0.000 0.975 464 Q CA 1.373 57.170 55.803 -0.010 0.000 0.836 464 Q CB 0.011 28.746 28.738 -0.004 0.000 0.896 464 Q HN 0.183 nan 8.270 nan 0.000 0.428 465 K N 1.167 121.559 120.400 -0.013 0.000 2.063 465 K HA -0.178 4.143 4.320 0.001 0.000 0.208 465 K C 1.016 177.603 176.600 -0.021 0.000 1.048 465 K CA 0.877 57.154 56.287 -0.018 0.000 0.928 465 K CB -0.010 32.482 32.500 -0.014 0.000 0.713 465 K HN 0.158 nan 8.250 nan 0.000 0.442 466 E N 0.000 120.190 120.200 -0.017 0.000 2.725 466 E HA 0.000 4.350 4.350 0.001 0.000 0.291 466 E CA 0.000 56.390 56.400 -0.017 0.000 0.976 466 E CB 0.000 29.692 29.700 -0.013 0.000 0.812 466 E HN 0.000 nan 8.360 nan 0.000 0.440