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 1tju_1_B DATA FIRST_RESID 19 DATA SEQUENCE TDPIMEKLNS SIAYDQRLSE VDIQGSMAYA KALEKAGILT KTELEKILSG DATA SEQUENCE LEKISEEWSK GVFVVKQSDE DIHTANERRL KELIGDIAGK LHTGRSRNDQ DATA SEQUENCE VVTDLKLFMK NSLSIISTHL LQLIKTLVER AAIEIDVILP GYSHLQKAQP DATA SEQUENCE IRWSQFLLSH AVALTRDSER LGEVKKRINV LPLGSGALAG NPLDIDREML DATA SEQUENCE RSELEFASIS LNSMDAISER DFVVEFLSFA TLLMIHLSKM AEDLIIYSTS DATA SEQUENCE EFGFLTLSDA FSTGSSLMPQ KKNPDSLELI RSKAGRVFGR LASILMVLKG DATA SEQUENCE LPSTYNKDLQ EDKEAVFDVV DTLTAVLQVA TGVISTLQIS KENMEKALTP DATA SEQUENCE EMLATDLALY LVRKGVPFRQ AHTASGKAVH LAETKGITIN KLSLEDLKSI DATA SEQUENCE SPQFSSDVSQ VFNFVNSVEQ YTALAGTAKS SVTTQIEQLR ELMKKQKEQA 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 0.000 174.707 174.700 0.011 0.000 1.109 19 T CA 0.000 62.107 62.100 0.012 0.000 1.349 19 T CB 0.000 68.876 68.868 0.014 0.000 0.612 20 D N 2.443 122.850 120.400 0.011 0.000 2.351 20 D HA 0.134 4.775 4.640 0.001 0.000 0.251 20 D C -1.167 175.140 176.300 0.012 0.000 1.137 20 D CA -1.922 52.085 54.000 0.011 0.000 0.879 20 D CB 1.578 42.384 40.800 0.010 0.000 1.181 20 D HN 0.080 nan 8.370 nan 0.000 0.448 21 P HA -0.157 nan 4.420 nan 0.000 0.216 21 P C 1.821 179.130 177.300 0.015 0.000 1.150 21 P CA 1.007 64.115 63.100 0.013 0.000 0.843 21 P CB 0.345 32.052 31.700 0.012 0.000 0.787 22 I N -1.523 119.055 120.570 0.014 0.000 2.353 22 I HA -0.174 3.996 4.170 0.001 0.000 0.248 22 I C 2.746 178.874 176.117 0.018 0.000 1.119 22 I CA 1.053 62.363 61.300 0.016 0.000 1.417 22 I CB -0.590 37.417 38.000 0.013 0.000 1.078 22 I HN -0.123 nan 8.210 nan 0.000 0.421 23 M N 0.299 119.909 119.600 0.016 0.000 2.117 23 M HA -0.192 4.289 4.480 0.001 0.000 0.262 23 M C 2.271 178.584 176.300 0.021 0.000 1.065 23 M CA 1.771 57.082 55.300 0.018 0.000 1.114 23 M CB -0.890 31.719 32.600 0.015 0.000 1.361 23 M HN 0.224 nan 8.290 nan 0.000 0.408 24 E N -0.122 120.090 120.200 0.020 0.000 2.058 24 E HA -0.238 4.113 4.350 0.001 0.000 0.194 24 E C 2.014 178.629 176.600 0.025 0.000 0.997 24 E CA 1.206 57.618 56.400 0.021 0.000 0.801 24 E CB -0.325 29.386 29.700 0.018 0.000 0.746 24 E HN 0.491 nan 8.360 nan 0.000 0.450 25 K N 0.881 121.297 120.400 0.026 0.000 2.057 25 K HA -0.101 4.220 4.320 0.001 0.000 0.207 25 K C 2.287 178.911 176.600 0.041 0.000 1.049 25 K CA 0.756 57.062 56.287 0.031 0.000 0.931 25 K CB -0.110 32.408 32.500 0.030 0.000 0.714 25 K HN 0.063 nan 8.250 nan 0.000 0.440 26 L N 0.614 121.860 121.223 0.038 0.000 2.362 26 L HA -0.142 4.199 4.340 0.001 0.000 0.219 26 L C 1.364 178.265 176.870 0.053 0.000 1.134 26 L CA 1.115 55.981 54.840 0.044 0.000 0.807 26 L CB -0.233 41.845 42.059 0.031 0.000 0.927 26 L HN 0.334 nan 8.230 nan 0.000 0.447 27 N N -1.437 117.289 118.700 0.044 0.000 2.280 27 N HA -0.023 4.718 4.740 0.001 0.000 0.192 27 N C 0.474 176.005 175.510 0.036 0.000 1.109 27 N CA -0.257 52.820 53.050 0.045 0.000 0.855 27 N CB 0.544 39.053 38.487 0.037 0.000 0.974 27 N HN 0.006 nan 8.380 nan 0.000 0.482 28 S N 0.449 116.167 115.700 0.029 0.000 2.474 28 S HA 0.144 4.615 4.470 0.001 0.000 0.276 28 S C 0.975 175.531 174.600 -0.074 0.000 1.227 28 S CA -0.616 57.579 58.200 -0.010 0.000 1.050 28 S CB 0.688 63.887 63.200 -0.001 0.000 0.939 28 S HN 0.267 nan 8.310 nan 0.000 0.490 29 S N 4.619 120.197 115.700 -0.203 0.000 2.578 29 S HA 0.075 4.546 4.470 0.001 0.000 0.228 29 S C 1.406 175.580 174.600 -0.710 0.000 1.022 29 S CA -0.189 57.624 58.200 -0.644 0.000 0.967 29 S CB -0.361 62.625 63.200 -0.357 0.000 0.914 29 S HN 0.691 nan 8.310 nan 0.000 0.515 30 I N 3.425 123.808 120.570 -0.312 0.000 2.315 30 I HA -0.096 4.075 4.170 0.001 0.000 0.251 30 I C 2.372 178.373 176.117 -0.195 0.000 1.125 30 I CA 1.134 62.317 61.300 -0.195 0.000 1.392 30 I CB -0.836 37.130 38.000 -0.058 0.000 1.065 30 I HN 0.354 nan 8.210 nan 0.000 0.424 31 A N 0.031 122.728 122.820 -0.205 0.000 1.940 31 A HA -0.227 4.093 4.320 0.001 0.000 0.219 31 A C 2.015 179.600 177.584 0.001 0.000 1.176 31 A CA 2.308 54.310 52.037 -0.059 0.000 0.631 31 A CB -0.994 18.031 19.000 0.041 0.000 0.814 31 A HN 0.768 nan 8.150 nan 0.000 0.446 32 Y N -2.005 118.325 120.300 0.049 0.000 2.423 32 Y HA 0.279 4.830 4.550 0.001 0.000 0.257 32 Y C 0.859 176.792 175.900 0.056 0.000 1.087 32 Y CA -0.282 57.855 58.100 0.062 0.000 1.258 32 Y CB -0.253 38.286 38.460 0.132 0.000 1.237 32 Y HN 0.280 nan 8.280 nan 0.000 0.517 33 D N 0.704 121.022 120.400 -0.138 0.000 2.319 33 D HA -0.046 4.595 4.640 0.001 0.000 0.230 33 D C 1.054 177.217 176.300 -0.228 0.000 1.094 33 D CA 0.171 54.169 54.000 -0.004 0.000 0.856 33 D CB -0.098 40.686 40.800 -0.027 0.000 0.915 33 D HN 0.530 nan 8.370 nan 0.000 0.517 34 Q N 0.281 119.915 119.800 -0.277 0.000 2.291 34 Q HA -0.094 4.247 4.340 0.001 0.000 0.205 34 Q C 2.009 177.667 176.000 -0.570 0.000 0.970 34 Q CA 0.930 56.466 55.803 -0.445 0.000 0.876 34 Q CB -0.111 28.466 28.738 -0.269 0.000 0.935 34 Q HN 0.487 nan 8.270 nan 0.000 0.455 35 R N 0.382 120.597 120.500 -0.474 0.000 2.328 35 R HA -0.077 4.264 4.340 0.001 0.000 0.207 35 R C 1.255 177.288 176.300 -0.444 0.000 1.056 35 R CA 0.805 56.626 56.100 -0.464 0.000 1.016 35 R CB -0.240 29.726 30.300 -0.555 0.000 0.872 35 R HN 0.258 nan 8.270 nan 0.000 0.471 36 L N 1.843 122.788 121.223 -0.464 0.000 2.592 36 L HA 0.056 4.397 4.340 0.001 0.000 0.227 36 L C 2.192 178.808 176.870 -0.422 0.000 1.127 36 L CA 0.369 55.007 54.840 -0.337 0.000 0.884 36 L CB -0.003 41.909 42.059 -0.244 0.000 1.065 36 L HN 0.296 nan 8.230 nan 0.000 0.457 37 S N 0.266 115.551 115.700 -0.691 0.000 2.372 37 S HA -0.299 4.172 4.470 0.001 0.000 0.227 37 S C 1.833 176.109 174.600 -0.540 0.000 1.044 37 S CA 1.802 59.432 58.200 -0.950 0.000 1.050 37 S CB -0.222 61.717 63.200 -2.103 0.000 0.901 37 S HN 0.438 nan 8.310 nan 0.000 0.447 38 E N 1.563 121.544 120.200 -0.366 0.000 2.028 38 E HA -0.085 4.266 4.350 0.001 0.000 0.191 38 E C 2.216 178.762 176.600 -0.089 0.000 0.988 38 E CA 1.694 57.997 56.400 -0.162 0.000 0.799 38 E CB -0.666 28.978 29.700 -0.093 0.000 0.755 38 E HN 0.589 nan 8.360 nan 0.000 0.447 39 V N -0.547 119.329 119.914 -0.063 0.000 2.594 39 V HA -0.161 3.959 4.120 0.001 0.000 0.253 39 V C 2.005 178.095 176.094 -0.006 0.000 1.069 39 V CA 2.211 64.509 62.300 -0.002 0.000 1.082 39 V CB -0.752 31.109 31.823 0.063 0.000 0.680 39 V HN 0.163 nan 8.190 nan 0.000 0.469 40 D N 0.673 121.027 120.400 -0.076 0.000 2.117 40 D HA -0.119 4.522 4.640 0.001 0.000 0.198 40 D C 1.907 178.200 176.300 -0.011 0.000 0.982 40 D CA 1.863 55.828 54.000 -0.059 0.000 0.828 40 D CB -0.256 40.422 40.800 -0.203 0.000 0.967 40 D HN 0.518 nan 8.370 nan 0.000 0.464 41 I N 0.179 120.731 120.570 -0.030 0.000 2.226 41 I HA -0.263 3.907 4.170 0.001 0.000 0.245 41 I C 2.456 178.601 176.117 0.047 0.000 1.100 41 I CA 1.027 62.342 61.300 0.025 0.000 1.374 41 I CB -0.307 37.715 38.000 0.037 0.000 1.057 41 I HN 0.139 nan 8.210 nan 0.000 0.413 42 Q N 0.421 120.242 119.800 0.035 0.000 2.084 42 Q HA -0.163 4.178 4.340 0.001 0.000 0.202 42 Q C 2.367 178.414 176.000 0.077 0.000 0.978 42 Q CA 1.647 57.480 55.803 0.049 0.000 0.844 42 Q CB -0.473 28.284 28.738 0.032 0.000 0.898 42 Q HN 0.649 nan 8.270 nan 0.000 0.426 43 G N 0.156 109.006 108.800 0.084 0.000 2.422 43 G HA2 -0.249 3.712 3.960 0.001 0.000 0.218 43 G HA3 -0.249 3.712 3.960 0.001 0.000 0.218 43 G C 1.496 176.474 174.900 0.130 0.000 1.146 43 G CA 0.954 46.120 45.100 0.111 0.000 0.769 43 G HN 0.234 nan 8.290 nan 0.000 0.547 44 S N 0.225 115.994 115.700 0.116 0.000 2.383 44 S HA -0.011 4.460 4.470 0.001 0.000 0.227 44 S C 2.392 177.086 174.600 0.156 0.000 1.026 44 S CA 1.109 59.398 58.200 0.148 0.000 0.981 44 S CB -0.210 63.061 63.200 0.117 0.000 0.818 44 S HN 0.357 nan 8.310 nan 0.000 0.472 45 M N 1.032 120.701 119.600 0.114 0.000 2.132 45 M HA -0.087 4.394 4.480 0.001 0.000 0.263 45 M C 2.508 178.866 176.300 0.096 0.000 1.065 45 M CA 1.464 56.819 55.300 0.092 0.000 1.122 45 M CB -0.539 32.103 32.600 0.069 0.000 1.365 45 M HN 0.392 nan 8.290 nan 0.000 0.411 46 A N -0.550 122.338 122.820 0.113 0.000 1.877 46 A HA -0.218 4.103 4.320 0.001 0.000 0.216 46 A C 2.000 179.662 177.584 0.130 0.000 1.186 46 A CA 1.457 53.560 52.037 0.110 0.000 0.620 46 A CB -1.086 17.990 19.000 0.128 0.000 0.822 46 A HN 0.531 nan 8.150 nan 0.000 0.443 47 Y N 0.584 120.908 120.300 0.040 0.000 2.181 47 Y HA -0.094 4.456 4.550 0.001 0.000 0.288 47 Y C 2.729 178.647 175.900 0.030 0.000 1.146 47 Y CA 0.948 59.068 58.100 0.032 0.000 1.164 47 Y CB -0.598 37.887 38.460 0.041 0.000 0.982 47 Y HN 0.328 nan 8.280 nan 0.000 0.515 48 A N 0.321 123.196 122.820 0.092 0.000 1.892 48 A HA -0.267 4.054 4.320 0.001 0.000 0.218 48 A C 2.242 179.796 177.584 -0.051 0.000 1.188 48 A CA 2.287 54.335 52.037 0.018 0.000 0.631 48 A CB -0.636 18.403 19.000 0.065 0.000 0.822 48 A HN 0.511 nan 8.150 nan 0.000 0.447 49 K N -0.444 119.941 120.400 -0.024 0.000 2.097 49 K HA -0.066 4.254 4.320 0.001 0.000 0.206 49 K C 2.233 178.787 176.600 -0.077 0.000 1.049 49 K CA 1.151 57.418 56.287 -0.034 0.000 0.933 49 K CB -0.314 32.183 32.500 -0.005 0.000 0.717 49 K HN 0.465 nan 8.250 nan 0.000 0.442 50 A N 1.251 123.996 122.820 -0.126 0.000 1.968 50 A HA -0.059 4.262 4.320 0.001 0.000 0.217 50 A C 2.069 179.516 177.584 -0.228 0.000 1.169 50 A CA 0.938 52.876 52.037 -0.165 0.000 0.638 50 A CB -0.461 18.427 19.000 -0.186 0.000 0.812 50 A HN 0.138 nan 8.150 nan 0.000 0.446 51 L N -0.632 120.398 121.223 -0.321 0.000 2.083 51 L HA -0.167 4.174 4.340 0.001 0.000 0.209 51 L C 2.732 179.522 176.870 -0.133 0.000 1.083 51 L CA 1.486 56.166 54.840 -0.267 0.000 0.752 51 L CB -0.417 41.484 42.059 -0.264 0.000 0.899 51 L HN 0.485 nan 8.230 nan 0.000 0.433 52 E N 1.047 121.187 120.200 -0.100 0.000 2.047 52 E HA -0.276 4.075 4.350 0.001 0.000 0.191 52 E C 2.120 178.688 176.600 -0.054 0.000 0.987 52 E CA 1.430 57.795 56.400 -0.058 0.000 0.799 52 E CB 0.081 29.757 29.700 -0.039 0.000 0.752 52 E HN 0.341 nan 8.360 nan 0.000 0.449 53 K N 0.027 120.391 120.400 -0.060 0.000 2.152 53 K HA -0.082 4.239 4.320 0.001 0.000 0.206 53 K C 1.785 178.355 176.600 -0.051 0.000 1.048 53 K CA 1.233 57.491 56.287 -0.048 0.000 0.933 53 K CB -0.157 32.314 32.500 -0.047 0.000 0.721 53 K HN 0.087 nan 8.250 nan 0.000 0.447 54 A N 0.005 122.783 122.820 -0.070 0.000 2.235 54 A HA 0.170 4.490 4.320 0.001 0.000 0.208 54 A C 1.277 178.832 177.584 -0.047 0.000 1.172 54 A CA 0.829 52.829 52.037 -0.062 0.000 0.786 54 A CB -0.495 18.454 19.000 -0.085 0.000 0.804 54 A HN 0.558 nan 8.150 nan 0.000 0.479 55 G N -0.863 107.911 108.800 -0.044 0.000 2.143 55 G HA2 -0.230 3.731 3.960 0.001 0.000 0.248 55 G HA3 -0.230 3.731 3.960 0.001 0.000 0.248 55 G C 0.609 175.491 174.900 -0.030 0.000 0.991 55 G CA 0.391 45.472 45.100 -0.031 0.000 0.689 55 G HN 0.329 nan 8.290 nan 0.000 0.522 56 I N -0.515 120.030 120.570 -0.041 0.000 2.703 56 I HA 0.304 4.475 4.170 0.001 0.000 0.259 56 I C 1.484 177.588 176.117 -0.022 0.000 1.151 56 I CA 0.963 62.244 61.300 -0.033 0.000 1.470 56 I CB -0.489 37.482 38.000 -0.049 0.000 1.112 56 I HN 0.206 nan 8.210 nan 0.000 0.437 57 L N 0.446 121.652 121.223 -0.028 0.000 2.354 57 L HA 0.347 4.687 4.340 0.001 0.000 0.269 57 L C 0.439 177.300 176.870 -0.014 0.000 1.005 57 L CA -0.586 54.244 54.840 -0.016 0.000 0.819 57 L CB 2.027 44.076 42.059 -0.017 0.000 1.311 57 L HN 0.064 nan 8.230 nan 0.000 0.423 58 T N -2.354 112.196 114.554 -0.007 0.000 2.847 58 T HA 0.188 4.538 4.350 0.001 0.000 0.279 58 T C 0.810 175.507 174.700 -0.005 0.000 0.984 58 T CA -0.642 61.455 62.100 -0.006 0.000 0.988 58 T CB 1.730 70.596 68.868 -0.002 0.000 1.040 58 T HN 0.527 nan 8.240 nan 0.000 0.528 59 K N 0.402 120.800 120.400 -0.004 0.000 2.097 59 K HA -0.066 4.255 4.320 0.001 0.000 0.206 59 K C 2.264 178.865 176.600 0.001 0.000 1.049 59 K CA 1.887 58.172 56.287 -0.003 0.000 0.933 59 K CB -1.170 31.328 32.500 -0.002 0.000 0.717 59 K HN 0.729 nan 8.250 nan 0.000 0.442 60 T N 0.734 115.289 114.554 0.002 0.000 2.746 60 T HA -0.109 4.241 4.350 0.001 0.000 0.267 60 T C 1.445 176.150 174.700 0.007 0.000 1.039 60 T CA 1.673 63.776 62.100 0.005 0.000 1.142 60 T CB -0.205 68.665 68.868 0.004 0.000 0.866 60 T HN 0.393 nan 8.240 nan 0.000 0.444 61 E N 0.446 120.651 120.200 0.007 0.000 2.077 61 E HA -0.096 4.255 4.350 0.001 0.000 0.193 61 E C 2.145 178.753 176.600 0.014 0.000 0.989 61 E CA 0.768 57.175 56.400 0.011 0.000 0.800 61 E CB -0.250 29.456 29.700 0.010 0.000 0.746 61 E HN 0.211 nan 8.360 nan 0.000 0.452 62 L N 1.820 123.048 121.223 0.009 0.000 2.012 62 L HA -0.233 4.108 4.340 0.001 0.000 0.210 62 L C 1.850 178.730 176.870 0.017 0.000 1.073 62 L CA 1.916 56.763 54.840 0.011 0.000 0.748 62 L CB -0.345 41.716 42.059 0.002 0.000 0.891 62 L HN 0.059 nan 8.230 nan 0.000 0.431 63 E N -0.506 119.702 120.200 0.013 0.000 2.085 63 E HA -0.305 4.046 4.350 0.001 0.000 0.194 63 E C 2.185 178.796 176.600 0.019 0.000 0.994 63 E CA 1.600 58.009 56.400 0.015 0.000 0.801 63 E CB -0.213 29.494 29.700 0.011 0.000 0.743 63 E HN 0.503 nan 8.360 nan 0.000 0.453 64 K N 0.860 121.271 120.400 0.019 0.000 2.057 64 K HA -0.113 4.207 4.320 0.001 0.000 0.206 64 K C 2.072 178.689 176.600 0.029 0.000 1.050 64 K CA 0.865 57.164 56.287 0.021 0.000 0.935 64 K CB 0.018 32.529 32.500 0.018 0.000 0.715 64 K HN 0.045 nan 8.250 nan 0.000 0.439 65 I N 1.087 121.677 120.570 0.033 0.000 2.163 65 I HA -0.301 3.870 4.170 0.001 0.000 0.240 65 I C 2.154 178.300 176.117 0.048 0.000 1.081 65 I CA 1.101 62.428 61.300 0.044 0.000 1.353 65 I CB -0.217 37.813 38.000 0.049 0.000 1.054 65 I HN 0.173 nan 8.210 nan 0.000 0.407 66 L N -0.203 121.046 121.223 0.043 0.000 2.042 66 L HA -0.266 4.075 4.340 0.001 0.000 0.210 66 L C 2.734 179.630 176.870 0.043 0.000 1.076 66 L CA 1.526 56.392 54.840 0.044 0.000 0.749 66 L CB -0.699 41.381 42.059 0.035 0.000 0.893 66 L HN 0.270 nan 8.230 nan 0.000 0.432 67 S N -0.060 115.662 115.700 0.036 0.000 2.382 67 S HA -0.134 4.337 4.470 0.001 0.000 0.228 67 S C 1.960 176.584 174.600 0.040 0.000 1.027 67 S CA 1.408 59.628 58.200 0.033 0.000 0.991 67 S CB -0.347 62.868 63.200 0.025 0.000 0.823 67 S HN 0.542 nan 8.310 nan 0.000 0.469 68 G N 1.325 110.151 108.800 0.043 0.000 2.394 68 G HA2 -0.053 3.908 3.960 0.001 0.000 0.214 68 G HA3 -0.053 3.908 3.960 0.001 0.000 0.214 68 G C 1.406 176.349 174.900 0.071 0.000 1.176 68 G CA 0.699 45.830 45.100 0.050 0.000 0.786 68 G HN 0.507 nan 8.290 nan 0.000 0.533 69 L N 0.140 121.410 121.223 0.077 0.000 2.079 69 L HA -0.093 4.247 4.340 0.001 0.000 0.210 69 L C 2.763 179.691 176.870 0.097 0.000 1.081 69 L CA 1.460 56.357 54.840 0.095 0.000 0.752 69 L CB -0.266 41.844 42.059 0.085 0.000 0.896 69 L HN 0.233 nan 8.230 nan 0.000 0.433 70 E N 0.528 120.773 120.200 0.075 0.000 2.110 70 E HA -0.204 4.147 4.350 0.001 0.000 0.193 70 E C 2.094 178.739 176.600 0.076 0.000 0.988 70 E CA 1.358 57.800 56.400 0.069 0.000 0.804 70 E CB 0.093 29.823 29.700 0.050 0.000 0.745 70 E HN 0.290 nan 8.360 nan 0.000 0.458 71 K N -0.260 120.181 120.400 0.068 0.000 2.097 71 K HA -0.030 4.291 4.320 0.001 0.000 0.205 71 K C 2.139 178.792 176.600 0.087 0.000 1.050 71 K CA 1.218 57.540 56.287 0.059 0.000 0.938 71 K CB -0.090 32.432 32.500 0.037 0.000 0.718 71 K HN 0.198 nan 8.250 nan 0.000 0.442 72 I N 0.562 121.210 120.570 0.130 0.000 2.252 72 I HA -0.284 3.887 4.170 0.001 0.000 0.245 72 I C 2.622 178.906 176.117 0.278 0.000 1.102 72 I CA 0.963 62.392 61.300 0.215 0.000 1.385 72 I CB -0.306 37.864 38.000 0.283 0.000 1.064 72 I HN 0.169 nan 8.210 nan 0.000 0.414 73 S N 0.611 116.453 115.700 0.236 0.000 2.370 73 S HA -0.279 4.192 4.470 0.001 0.000 0.226 73 S C 1.989 176.711 174.600 0.204 0.000 1.033 73 S CA 2.023 60.363 58.200 0.234 0.000 1.011 73 S CB -0.187 63.092 63.200 0.133 0.000 0.852 73 S HN 0.377 nan 8.310 nan 0.000 0.457 74 E N 0.954 121.235 120.200 0.134 0.000 2.051 74 E HA -0.104 4.246 4.350 0.001 0.000 0.192 74 E C 2.079 178.738 176.600 0.098 0.000 0.991 74 E CA 1.646 58.105 56.400 0.098 0.000 0.799 74 E CB -0.310 29.427 29.700 0.061 0.000 0.748 74 E HN 0.682 nan 8.360 nan 0.000 0.449 75 E N -0.858 119.389 120.200 0.079 0.000 2.070 75 E HA -0.230 4.121 4.350 0.001 0.000 0.197 75 E C 1.973 178.591 176.600 0.029 0.000 1.004 75 E CA 1.445 57.854 56.400 0.014 0.000 0.805 75 E CB -0.336 29.347 29.700 -0.029 0.000 0.744 75 E HN 0.417 nan 8.360 nan 0.000 0.451 76 W N 0.918 122.297 121.300 0.132 0.000 2.354 76 W HA -0.181 4.481 4.660 0.002 0.000 0.315 76 W C 2.887 179.424 176.519 0.030 0.000 1.206 76 W CA 1.058 58.431 57.345 0.046 0.000 1.290 76 W CB -0.483 28.936 29.460 -0.070 0.000 1.152 76 W HN -0.037 nan 8.180 nan 0.000 0.489 77 S N 0.394 116.254 115.700 0.267 0.000 2.369 77 S HA -0.241 4.230 4.470 0.001 0.000 0.225 77 S C 1.388 176.056 174.600 0.112 0.000 1.043 77 S CA 1.741 60.034 58.200 0.154 0.000 1.074 77 S CB -0.557 62.709 63.200 0.110 0.000 0.962 77 S HN 0.282 nan 8.310 nan 0.000 0.433 78 K N 0.905 121.358 120.400 0.088 0.000 2.569 78 K HA 0.171 4.491 4.320 0.001 0.000 0.193 78 K C 1.020 177.651 176.600 0.051 0.000 1.026 78 K CA 0.399 56.719 56.287 0.056 0.000 1.093 78 K CB -0.314 32.207 32.500 0.034 0.000 0.849 78 K HN 0.459 nan 8.250 nan 0.000 0.509 79 G N 1.851 110.700 108.800 0.083 0.000 2.341 79 G HA2 -0.264 3.697 3.960 0.001 0.000 0.292 79 G HA3 -0.264 3.697 3.960 0.001 0.000 0.292 79 G C 0.580 175.493 174.900 0.022 0.000 1.021 79 G CA 0.604 45.751 45.100 0.077 0.000 0.905 79 G HN 0.347 nan 8.290 nan 0.000 0.508 80 V N -3.650 116.254 119.914 -0.018 0.000 3.528 80 V HA 0.605 4.726 4.120 0.001 0.000 0.294 80 V C 1.093 177.092 176.094 -0.158 0.000 1.404 80 V CA -0.248 62.009 62.300 -0.071 0.000 1.065 80 V CB -0.423 31.359 31.823 -0.068 0.000 0.904 80 V HN 0.478 nan 8.190 nan 0.000 0.435 81 F N 1.862 121.577 119.950 -0.391 0.000 2.572 81 F HA 0.437 4.966 4.527 0.002 0.000 0.370 81 F C 0.213 175.749 175.800 -0.441 0.000 1.103 81 F CA 0.424 58.044 58.000 -0.634 0.000 1.286 81 F CB 0.983 39.079 39.000 -1.508 0.000 1.105 81 F HN -0.052 nan 8.300 nan 0.000 0.583 82 V N 7.475 126.896 119.914 -0.822 0.000 2.334 82 V HA 0.235 4.356 4.120 0.001 0.000 0.281 82 V C -0.395 175.508 176.094 -0.318 0.000 1.016 82 V CA -0.841 61.210 62.300 -0.415 0.000 0.832 82 V CB 1.132 32.751 31.823 -0.340 0.000 0.999 82 V HN 0.557 nan 8.190 nan 0.000 0.439 83 V N 6.237 126.159 119.914 0.014 0.000 2.583 83 V HA 0.362 4.483 4.120 0.001 0.000 0.287 83 V C 0.313 176.432 176.094 0.043 0.000 1.051 83 V CA -0.604 61.786 62.300 0.150 0.000 1.010 83 V CB 1.310 33.255 31.823 0.204 0.000 0.988 83 V HN 0.690 nan 8.190 nan 0.000 0.478 84 K N 3.586 124.014 120.400 0.048 0.000 2.182 84 K HA 0.447 4.768 4.320 0.001 0.000 0.262 84 K C 1.148 177.766 176.600 0.030 0.000 0.957 84 K CA -0.238 56.057 56.287 0.014 0.000 0.842 84 K CB 1.439 33.936 32.500 -0.004 0.000 1.099 84 K HN 0.702 nan 8.250 nan 0.000 0.438 85 Q N 1.057 120.867 119.800 0.018 0.000 2.325 85 Q HA -0.189 4.152 4.340 0.001 0.000 0.211 85 Q C 1.637 177.650 176.000 0.022 0.000 0.988 85 Q CA 2.597 58.412 55.803 0.020 0.000 0.887 85 Q CB -0.878 27.867 28.738 0.012 0.000 0.915 85 Q HN 0.735 nan 8.270 nan 0.000 0.440 86 S N -0.651 115.062 115.700 0.021 0.000 2.562 86 S HA 0.062 4.532 4.470 0.001 0.000 0.221 86 S C -0.091 174.528 174.600 0.032 0.000 0.975 86 S CA 0.129 58.342 58.200 0.022 0.000 0.918 86 S CB 0.131 63.341 63.200 0.016 0.000 0.772 86 S HN 0.568 nan 8.310 nan 0.000 0.531 87 D N 2.409 122.836 120.400 0.046 0.000 2.336 87 D HA 0.284 4.925 4.640 0.001 0.000 0.249 87 D C 0.499 176.823 176.300 0.040 0.000 1.213 87 D CA -0.001 54.035 54.000 0.060 0.000 0.870 87 D CB 1.462 42.325 40.800 0.105 0.000 1.076 87 D HN 0.305 nan 8.370 nan 0.000 0.483 88 E N 1.093 121.312 120.200 0.031 0.000 2.112 88 E HA -0.025 4.326 4.350 0.001 0.000 0.190 88 E C 0.061 176.660 176.600 -0.002 0.000 0.979 88 E CA 0.885 57.294 56.400 0.016 0.000 0.814 88 E CB 0.195 29.908 29.700 0.020 0.000 0.762 88 E HN 0.619 nan 8.360 nan 0.000 0.460 89 D N -2.264 118.146 120.400 0.017 0.000 2.615 89 D HA 0.112 4.753 4.640 0.001 0.000 0.267 89 D C 0.454 176.749 176.300 -0.008 0.000 1.236 89 D CA -0.774 53.226 54.000 -0.000 0.000 0.839 89 D CB 0.258 41.104 40.800 0.077 0.000 1.380 89 D HN -0.137 nan 8.370 nan 0.000 0.433 90 I N 0.316 120.814 120.570 -0.119 0.000 2.248 90 I HA -0.243 3.927 4.170 0.001 0.000 0.248 90 I C 1.539 177.509 176.117 -0.245 0.000 1.107 90 I CA 1.995 63.146 61.300 -0.249 0.000 1.373 90 I CB -0.507 37.211 38.000 -0.469 0.000 1.055 90 I HN 0.519 nan 8.210 nan 0.000 0.418 91 H N -1.042 117.994 119.070 -0.056 0.000 2.387 91 H HA -0.082 4.475 4.556 0.001 0.000 0.299 91 H C 2.201 177.514 175.328 -0.027 0.000 1.090 91 H CA 1.883 57.903 56.048 -0.047 0.000 1.332 91 H CB -0.787 28.940 29.762 -0.059 0.000 1.386 91 H HN 0.273 nan 8.280 nan 0.000 0.516 92 T N 0.120 114.734 114.554 0.099 0.000 2.857 92 T HA -0.046 4.305 4.350 0.001 0.000 0.266 92 T C 2.363 177.122 174.700 0.099 0.000 1.048 92 T CA 0.930 63.071 62.100 0.068 0.000 1.139 92 T CB -0.362 68.539 68.868 0.055 0.000 0.874 92 T HN 0.500 nan 8.240 nan 0.000 0.455 93 A N 2.429 125.328 122.820 0.133 0.000 1.877 93 A HA -0.165 4.156 4.320 0.001 0.000 0.216 93 A C 2.260 180.054 177.584 0.349 0.000 1.186 93 A CA 1.603 53.799 52.037 0.266 0.000 0.620 93 A CB -0.640 18.553 19.000 0.322 0.000 0.822 93 A HN 0.361 nan 8.150 nan 0.000 0.443 94 N N 0.266 119.100 118.700 0.223 0.000 2.106 94 N HA -0.159 4.582 4.740 0.001 0.000 0.188 94 N C 1.771 177.387 175.510 0.178 0.000 1.029 94 N CA 1.744 54.934 53.050 0.234 0.000 0.848 94 N CB -0.505 38.052 38.487 0.117 0.000 1.007 94 N HN 0.835 nan 8.380 nan 0.000 0.423 95 E N 0.816 121.080 120.200 0.106 0.000 2.150 95 E HA -0.174 4.176 4.350 0.001 0.000 0.193 95 E C 2.045 178.688 176.600 0.071 0.000 0.985 95 E CA 0.665 57.105 56.400 0.066 0.000 0.814 95 E CB -0.207 29.494 29.700 0.002 0.000 0.752 95 E HN 0.275 nan 8.360 nan 0.000 0.466 96 R N 1.123 121.676 120.500 0.088 0.000 2.073 96 R HA -0.162 4.179 4.340 0.001 0.000 0.234 96 R C 2.481 178.817 176.300 0.060 0.000 1.134 96 R CA 1.681 57.820 56.100 0.066 0.000 0.952 96 R CB -0.143 30.201 30.300 0.073 0.000 0.850 96 R HN 0.042 nan 8.270 nan 0.000 0.433 97 R N 0.794 121.360 120.500 0.110 0.000 2.096 97 R HA -0.100 4.240 4.340 0.001 0.000 0.235 97 R C 2.135 178.471 176.300 0.060 0.000 1.127 97 R CA 1.293 57.429 56.100 0.061 0.000 0.968 97 R CB -0.895 29.495 30.300 0.150 0.000 0.861 97 R HN 0.358 nan 8.270 nan 0.000 0.440 98 L N 0.843 122.122 121.223 0.094 0.000 2.093 98 L HA -0.058 4.283 4.340 0.001 0.000 0.208 98 L C 2.126 179.023 176.870 0.045 0.000 1.085 98 L CA 1.916 56.800 54.840 0.074 0.000 0.755 98 L CB -0.532 41.578 42.059 0.084 0.000 0.904 98 L HN 0.200 nan 8.230 nan 0.000 0.435 99 K N -0.539 119.884 120.400 0.038 0.000 2.057 99 K HA -0.180 4.141 4.320 0.001 0.000 0.206 99 K C 1.916 178.522 176.600 0.011 0.000 1.050 99 K CA 1.623 57.925 56.287 0.024 0.000 0.935 99 K CB -0.048 32.465 32.500 0.021 0.000 0.715 99 K HN 0.473 nan 8.250 nan 0.000 0.439 100 E N 0.559 120.760 120.200 0.001 0.000 2.077 100 E HA -0.192 4.159 4.350 0.001 0.000 0.193 100 E C 2.093 178.683 176.600 -0.016 0.000 0.989 100 E CA 1.152 57.541 56.400 -0.018 0.000 0.800 100 E CB -0.029 29.645 29.700 -0.043 0.000 0.746 100 E HN 0.298 nan 8.360 nan 0.000 0.452 101 L N 0.484 121.702 121.223 -0.008 0.000 2.044 101 L HA -0.065 4.276 4.340 0.001 0.000 0.205 101 L C 2.479 179.351 176.870 0.004 0.000 1.075 101 L CA 1.015 55.852 54.840 -0.004 0.000 0.747 101 L CB -0.227 41.836 42.059 0.007 0.000 0.903 101 L HN 0.243 nan 8.230 nan 0.000 0.435 102 I N -3.860 116.718 120.570 0.013 0.000 4.154 102 I HA 0.478 4.648 4.170 0.001 0.000 0.334 102 I C 0.945 177.070 176.117 0.014 0.000 1.371 102 I CA 0.065 61.374 61.300 0.015 0.000 1.110 102 I CB 0.113 38.127 38.000 0.023 0.000 1.085 102 I HN 0.197 nan 8.210 nan 0.000 0.398 103 G N 2.187 110.994 108.800 0.012 0.000 2.598 103 G HA2 -0.348 3.613 3.960 0.001 0.000 0.244 103 G HA3 -0.348 3.613 3.960 0.001 0.000 0.244 103 G C 0.146 175.056 174.900 0.017 0.000 1.302 103 G CA 0.538 45.645 45.100 0.011 0.000 0.903 103 G HN 0.355 nan 8.290 nan 0.000 0.575 104 D N -0.817 119.592 120.400 0.015 0.000 2.191 104 D HA -0.168 4.472 4.640 0.001 0.000 0.190 104 D C 2.423 178.738 176.300 0.025 0.000 1.007 104 D CA 2.030 56.041 54.000 0.019 0.000 0.865 104 D CB -0.135 40.674 40.800 0.015 0.000 0.929 104 D HN 0.560 nan 8.370 nan 0.000 0.447 105 I N 0.346 120.930 120.570 0.024 0.000 2.399 105 I HA -0.257 3.914 4.170 0.001 0.000 0.254 105 I C 1.995 178.135 176.117 0.039 0.000 1.146 105 I CA 1.177 62.494 61.300 0.029 0.000 1.412 105 I CB -0.576 37.439 38.000 0.025 0.000 1.076 105 I HN 0.039 nan 8.210 nan 0.000 0.432 106 A N 0.159 123.002 122.820 0.039 0.000 1.986 106 A HA -0.170 4.151 4.320 0.001 0.000 0.220 106 A C 2.463 180.083 177.584 0.060 0.000 1.171 106 A CA 1.708 53.775 52.037 0.050 0.000 0.640 106 A CB -1.704 17.323 19.000 0.044 0.000 0.811 106 A HN 0.504 nan 8.150 nan 0.000 0.451 107 G N -0.362 108.470 108.800 0.053 0.000 2.462 107 G HA2 -0.227 3.734 3.960 0.001 0.000 0.220 107 G HA3 -0.227 3.734 3.960 0.001 0.000 0.220 107 G C 1.565 176.519 174.900 0.090 0.000 1.121 107 G CA 1.030 46.168 45.100 0.064 0.000 0.758 107 G HN 0.637 nan 8.290 nan 0.000 0.559 108 K N -0.441 120.006 120.400 0.079 0.000 2.288 108 K HA 0.098 4.419 4.320 0.001 0.000 0.201 108 K C 2.185 178.860 176.600 0.125 0.000 1.048 108 K CA 0.209 56.546 56.287 0.084 0.000 0.956 108 K CB -0.130 32.403 32.500 0.054 0.000 0.746 108 K HN 0.259 nan 8.250 nan 0.000 0.461 109 L N 0.903 122.212 121.223 0.143 0.000 2.127 109 L HA -0.206 4.135 4.340 0.001 0.000 0.211 109 L C 1.881 178.947 176.870 0.327 0.000 1.089 109 L CA 1.843 56.807 54.840 0.206 0.000 0.757 109 L CB -0.433 41.729 42.059 0.172 0.000 0.899 109 L HN 0.306 nan 8.230 nan 0.000 0.434 110 H N -1.442 117.705 119.070 0.128 0.000 2.539 110 H HA 0.090 4.646 4.556 0.001 0.000 0.267 110 H C -0.056 175.343 175.328 0.118 0.000 0.982 110 H CA 0.094 56.195 56.048 0.088 0.000 1.146 110 H CB 0.125 29.905 29.762 0.029 0.000 1.382 110 H HN 0.266 nan 8.280 nan 0.000 0.577 111 T N 0.206 114.867 114.554 0.179 0.000 2.822 111 T HA 0.060 4.411 4.350 0.001 0.000 0.288 111 T C 1.242 176.019 174.700 0.128 0.000 0.991 111 T CA 0.903 63.065 62.100 0.103 0.000 1.176 111 T CB 0.352 69.272 68.868 0.086 0.000 0.951 111 T HN 0.648 nan 8.240 nan 0.000 0.526 112 G N 2.960 111.769 108.800 0.016 0.000 2.189 112 G HA2 -0.295 3.666 3.960 0.001 0.000 0.267 112 G HA3 -0.295 3.666 3.960 0.001 0.000 0.267 112 G C 0.233 175.097 174.900 -0.060 0.000 0.975 112 G CA 0.523 45.637 45.100 0.023 0.000 0.644 112 G HN 0.826 nan 8.290 nan 0.000 0.537 113 R N 0.105 120.440 120.500 -0.276 0.000 2.668 113 R HA 0.687 5.027 4.340 0.001 0.000 0.279 113 R C -0.232 175.682 176.300 -0.644 0.000 0.976 113 R CA 0.204 55.977 56.100 -0.545 0.000 0.978 113 R CB 1.397 31.202 30.300 -0.826 0.000 1.133 113 R HN 0.256 nan 8.270 nan 0.000 0.484 114 S N 0.627 116.082 115.700 -0.409 0.000 2.599 114 S HA 0.350 4.821 4.470 0.001 0.000 0.294 114 S C 0.642 175.153 174.600 -0.148 0.000 1.094 114 S CA -0.826 57.208 58.200 -0.275 0.000 0.931 114 S CB 1.628 64.693 63.200 -0.224 0.000 1.093 114 S HN 0.669 nan 8.310 nan 0.000 0.488 115 R N 1.989 122.430 120.500 -0.098 0.000 2.120 115 R HA -0.032 4.309 4.340 0.001 0.000 0.234 115 R C 1.350 177.496 176.300 -0.256 0.000 1.123 115 R CA 1.278 57.272 56.100 -0.177 0.000 0.975 115 R CB -1.233 28.942 30.300 -0.208 0.000 0.866 115 R HN 0.631 nan 8.270 nan 0.000 0.446 116 N N 1.370 119.882 118.700 -0.314 0.000 2.104 116 N HA -0.169 4.572 4.740 0.001 0.000 0.190 116 N C 1.216 176.624 175.510 -0.169 0.000 1.024 116 N CA 1.835 54.683 53.050 -0.336 0.000 0.853 116 N CB -0.356 37.887 38.487 -0.406 0.000 1.008 116 N HN 0.443 nan 8.380 nan 0.000 0.424 117 D N -0.295 120.009 120.400 -0.160 0.000 2.327 117 D HA -0.077 4.564 4.640 0.001 0.000 0.205 117 D C 1.639 177.869 176.300 -0.118 0.000 0.989 117 D CA 0.336 54.262 54.000 -0.123 0.000 0.873 117 D CB -0.451 40.270 40.800 -0.132 0.000 0.955 117 D HN 0.317 nan 8.370 nan 0.000 0.515 118 Q N 0.600 120.318 119.800 -0.137 0.000 2.079 118 Q HA -0.091 4.249 4.340 0.001 0.000 0.200 118 Q C 2.154 178.130 176.000 -0.040 0.000 0.974 118 Q CA 1.011 56.758 55.803 -0.094 0.000 0.840 118 Q CB 0.110 28.795 28.738 -0.088 0.000 0.898 118 Q HN 0.149 nan 8.270 nan 0.000 0.430 119 V N 0.484 120.336 119.914 -0.105 0.000 2.307 119 V HA -0.189 3.932 4.120 0.001 0.000 0.245 119 V C 2.353 178.495 176.094 0.080 0.000 1.045 119 V CA 1.739 64.025 62.300 -0.023 0.000 1.024 119 V CB -0.127 31.639 31.823 -0.096 0.000 0.651 119 V HN 0.535 nan 8.190 nan 0.000 0.449 120 V N -2.357 117.593 119.914 0.061 0.000 2.490 120 V HA -0.193 3.928 4.120 0.001 0.000 0.250 120 V C 2.287 178.398 176.094 0.028 0.000 1.061 120 V CA 2.507 64.867 62.300 0.101 0.000 1.064 120 V CB -1.756 30.117 31.823 0.082 0.000 0.670 120 V HN 0.553 nan 8.190 nan 0.000 0.461 121 T N 0.757 115.315 114.554 0.007 0.000 2.708 121 T HA -0.150 4.201 4.350 0.001 0.000 0.266 121 T C 1.638 176.418 174.700 0.133 0.000 1.037 121 T CA 1.970 64.085 62.100 0.025 0.000 1.146 121 T CB -0.502 68.370 68.868 0.006 0.000 0.865 121 T HN 0.579 nan 8.240 nan 0.000 0.435 122 D N 0.942 121.425 120.400 0.139 0.000 2.144 122 D HA -0.033 4.608 4.640 0.001 0.000 0.199 122 D C 1.982 178.403 176.300 0.202 0.000 0.984 122 D CA 0.516 54.614 54.000 0.163 0.000 0.834 122 D CB -0.445 40.458 40.800 0.173 0.000 0.955 122 D HN 0.166 nan 8.370 nan 0.000 0.465 123 L N 1.034 122.379 121.223 0.204 0.000 2.093 123 L HA -0.087 4.253 4.340 0.001 0.000 0.208 123 L C 1.870 178.901 176.870 0.268 0.000 1.085 123 L CA 1.676 56.678 54.840 0.271 0.000 0.755 123 L CB -0.223 42.017 42.059 0.302 0.000 0.904 123 L HN -0.140 nan 8.230 nan 0.000 0.435 124 K N -0.926 119.542 120.400 0.113 0.000 2.097 124 K HA -0.101 4.220 4.320 0.001 0.000 0.205 124 K C 2.083 178.744 176.600 0.102 0.000 1.050 124 K CA 1.249 57.546 56.287 0.017 0.000 0.938 124 K CB -0.207 32.228 32.500 -0.108 0.000 0.718 124 K HN 0.316 nan 8.250 nan 0.000 0.442 125 L N -0.005 121.314 121.223 0.161 0.000 2.056 125 L HA -0.173 4.167 4.340 0.001 0.000 0.207 125 L C 2.374 179.264 176.870 0.034 0.000 1.078 125 L CA 1.098 55.960 54.840 0.036 0.000 0.749 125 L CB -0.362 41.744 42.059 0.078 0.000 0.901 125 L HN 0.120 nan 8.230 nan 0.000 0.433 126 F N 0.459 120.410 119.950 0.003 0.000 2.102 126 F HA -0.264 4.264 4.527 0.001 0.000 0.298 126 F C 2.481 178.269 175.800 -0.019 0.000 1.105 126 F CA 1.628 59.631 58.000 0.006 0.000 1.239 126 F CB -0.160 38.894 39.000 0.089 0.000 0.991 126 F HN -0.063 nan 8.300 nan 0.000 0.474 127 M N 0.230 119.859 119.600 0.048 0.000 2.117 127 M HA -0.237 4.244 4.480 0.001 0.000 0.262 127 M C 2.362 178.517 176.300 -0.240 0.000 1.065 127 M CA 2.021 57.231 55.300 -0.151 0.000 1.114 127 M CB -0.561 32.022 32.600 -0.029 0.000 1.361 127 M HN 0.147 nan 8.290 nan 0.000 0.408 128 K N 0.553 120.850 120.400 -0.172 0.000 2.032 128 K HA -0.199 4.121 4.320 0.001 0.000 0.209 128 K C 1.611 178.081 176.600 -0.216 0.000 1.048 128 K CA 1.736 57.912 56.287 -0.186 0.000 0.927 128 K CB -0.058 32.316 32.500 -0.210 0.000 0.712 128 K HN 0.296 nan 8.250 nan 0.000 0.441 129 N N 0.433 118.983 118.700 -0.250 0.000 2.120 129 N HA -0.105 4.636 4.740 0.001 0.000 0.188 129 N C 1.873 177.213 175.510 -0.284 0.000 1.024 129 N CA 1.443 54.343 53.050 -0.249 0.000 0.852 129 N CB -0.389 37.949 38.487 -0.249 0.000 1.003 129 N HN 0.147 nan 8.380 nan 0.000 0.424 130 S N 0.965 116.413 115.700 -0.421 0.000 2.368 130 S HA -0.017 4.454 4.470 0.001 0.000 0.225 130 S C 1.874 176.366 174.600 -0.180 0.000 1.030 130 S CA 0.616 58.595 58.200 -0.368 0.000 0.999 130 S CB -0.139 62.738 63.200 -0.538 0.000 0.844 130 S HN 0.117 nan 8.310 nan 0.000 0.459 131 L N 1.414 122.527 121.223 -0.183 0.000 2.275 131 L HA 0.062 4.403 4.340 0.001 0.000 0.215 131 L C 2.480 179.301 176.870 -0.082 0.000 1.119 131 L CA 1.071 55.857 54.840 -0.090 0.000 0.790 131 L CB -1.005 40.980 42.059 -0.123 0.000 0.919 131 L HN 0.295 nan 8.230 nan 0.000 0.443 132 S N -0.549 115.080 115.700 -0.117 0.000 2.368 132 S HA -0.098 4.373 4.470 0.001 0.000 0.224 132 S C 2.054 176.588 174.600 -0.110 0.000 1.029 132 S CA 0.988 59.123 58.200 -0.109 0.000 0.988 132 S CB -0.121 63.005 63.200 -0.123 0.000 0.838 132 S HN 0.378 nan 8.310 nan 0.000 0.462 133 I N 0.932 121.433 120.570 -0.114 0.000 2.252 133 I HA -0.120 4.051 4.170 0.001 0.000 0.245 133 I C 2.176 178.225 176.117 -0.113 0.000 1.102 133 I CA 1.123 62.338 61.300 -0.141 0.000 1.385 133 I CB -0.354 37.598 38.000 -0.080 0.000 1.064 133 I HN 0.318 nan 8.210 nan 0.000 0.414 134 I N 0.086 120.676 120.570 0.034 0.000 2.226 134 I HA -0.305 3.866 4.170 0.001 0.000 0.245 134 I C 2.811 178.994 176.117 0.110 0.000 1.100 134 I CA 1.343 62.740 61.300 0.162 0.000 1.374 134 I CB -0.291 37.865 38.000 0.260 0.000 1.057 134 I HN 0.215 nan 8.210 nan 0.000 0.413 135 S N 0.163 115.883 115.700 0.033 0.000 2.359 135 S HA -0.234 4.237 4.470 0.001 0.000 0.224 135 S C 2.102 176.695 174.600 -0.012 0.000 1.035 135 S CA 2.423 60.631 58.200 0.013 0.000 1.018 135 S CB -0.409 62.771 63.200 -0.033 0.000 0.876 135 S HN 0.438 nan 8.310 nan 0.000 0.448 136 T N 1.369 115.867 114.554 -0.094 0.000 2.746 136 T HA -0.092 4.258 4.350 0.001 0.000 0.267 136 T C 1.634 176.275 174.700 -0.098 0.000 1.039 136 T CA 1.605 63.620 62.100 -0.143 0.000 1.142 136 T CB -0.547 68.163 68.868 -0.264 0.000 0.866 136 T HN 0.550 nan 8.240 nan 0.000 0.444 137 H N 0.439 119.529 119.070 0.034 0.000 2.428 137 H HA 0.161 4.718 4.556 0.001 0.000 0.296 137 H C 2.364 177.716 175.328 0.039 0.000 1.062 137 H CA 0.550 56.620 56.048 0.036 0.000 1.350 137 H CB -0.568 29.220 29.762 0.043 0.000 1.403 137 H HN 0.241 nan 8.280 nan 0.000 0.533 138 L N 0.351 121.675 121.223 0.168 0.000 2.017 138 L HA -0.167 4.174 4.340 0.001 0.000 0.208 138 L C 2.173 179.091 176.870 0.080 0.000 1.073 138 L CA 0.829 55.745 54.840 0.127 0.000 0.745 138 L CB -0.201 41.952 42.059 0.157 0.000 0.894 138 L HN 0.190 nan 8.230 nan 0.000 0.432 139 L N -0.216 121.043 121.223 0.060 0.000 2.079 139 L HA -0.257 4.083 4.340 0.001 0.000 0.210 139 L C 2.536 179.425 176.870 0.032 0.000 1.081 139 L CA 1.647 56.508 54.840 0.035 0.000 0.752 139 L CB -1.381 40.687 42.059 0.016 0.000 0.896 139 L HN 0.420 nan 8.230 nan 0.000 0.433 140 Q N -0.141 119.687 119.800 0.047 0.000 2.124 140 Q HA -0.170 4.171 4.340 0.001 0.000 0.202 140 Q C 2.207 178.229 176.000 0.036 0.000 0.977 140 Q CA 1.368 57.200 55.803 0.048 0.000 0.850 140 Q CB -0.323 28.463 28.738 0.080 0.000 0.901 140 Q HN 0.439 nan 8.270 nan 0.000 0.429 141 L N -0.479 120.767 121.223 0.038 0.000 2.027 141 L HA -0.138 4.202 4.340 0.001 0.000 0.206 141 L C 2.092 178.958 176.870 -0.005 0.000 1.074 141 L CA 1.355 56.200 54.840 0.008 0.000 0.745 141 L CB -0.285 41.779 42.059 0.007 0.000 0.898 141 L HN 0.338 nan 8.230 nan 0.000 0.433 142 I N 0.078 120.650 120.570 0.004 0.000 2.208 142 I HA -0.369 3.802 4.170 0.001 0.000 0.245 142 I C 2.632 178.741 176.117 -0.013 0.000 1.097 142 I CA 1.468 62.763 61.300 -0.009 0.000 1.363 142 I CB -0.361 37.639 38.000 0.000 0.000 1.051 142 I HN 0.290 nan 8.210 nan 0.000 0.413 143 K N 0.619 121.018 120.400 -0.001 0.000 2.097 143 K HA -0.172 4.148 4.320 0.001 0.000 0.206 143 K C 2.046 178.646 176.600 -0.000 0.000 1.049 143 K CA 1.886 58.173 56.287 0.001 0.000 0.933 143 K CB -0.061 32.445 32.500 0.009 0.000 0.717 143 K HN 0.239 nan 8.250 nan 0.000 0.442 144 T N 1.751 116.306 114.554 0.001 0.000 2.746 144 T HA -0.111 4.240 4.350 0.001 0.000 0.267 144 T C 1.800 176.494 174.700 -0.009 0.000 1.039 144 T CA 1.222 63.323 62.100 0.001 0.000 1.142 144 T CB -0.104 68.763 68.868 -0.003 0.000 0.866 144 T HN 0.147 nan 8.240 nan 0.000 0.444 145 L N 0.549 121.754 121.223 -0.029 0.000 2.017 145 L HA -0.082 4.259 4.340 0.001 0.000 0.208 145 L C 2.679 179.518 176.870 -0.053 0.000 1.073 145 L CA 0.938 55.745 54.840 -0.055 0.000 0.745 145 L CB -0.592 41.418 42.059 -0.080 0.000 0.894 145 L HN 0.127 nan 8.230 nan 0.000 0.432 146 V N -0.521 119.368 119.914 -0.041 0.000 2.343 146 V HA -0.242 3.878 4.120 0.001 0.000 0.247 146 V C 2.506 178.591 176.094 -0.015 0.000 1.051 146 V CA 1.626 63.906 62.300 -0.034 0.000 1.036 146 V CB -0.465 31.343 31.823 -0.025 0.000 0.654 146 V HN 0.430 nan 8.190 nan 0.000 0.451 147 E N -0.097 120.102 120.200 -0.001 0.000 2.107 147 E HA -0.175 4.176 4.350 0.001 0.000 0.191 147 E C 2.293 178.909 176.600 0.027 0.000 0.982 147 E CA 0.905 57.313 56.400 0.014 0.000 0.809 147 E CB -0.275 29.436 29.700 0.018 0.000 0.756 147 E HN 0.545 nan 8.360 nan 0.000 0.459 148 R N 0.790 121.308 120.500 0.030 0.000 2.092 148 R HA -0.046 4.294 4.340 0.001 0.000 0.231 148 R C 2.206 178.544 176.300 0.063 0.000 1.119 148 R CA 1.259 57.397 56.100 0.064 0.000 0.970 148 R CB -0.147 30.203 30.300 0.083 0.000 0.864 148 R HN 0.110 nan 8.270 nan 0.000 0.440 149 A N 0.725 123.549 122.820 0.007 0.000 1.940 149 A HA -0.132 4.189 4.320 0.001 0.000 0.219 149 A C 2.336 179.937 177.584 0.028 0.000 1.176 149 A CA 1.727 53.756 52.037 -0.012 0.000 0.631 149 A CB -0.768 18.193 19.000 -0.064 0.000 0.814 149 A HN 0.548 nan 8.150 nan 0.000 0.446 150 A N -0.201 122.634 122.820 0.026 0.000 1.898 150 A HA -0.045 4.276 4.320 0.001 0.000 0.216 150 A C 2.118 179.732 177.584 0.050 0.000 1.181 150 A CA 1.485 53.541 52.037 0.032 0.000 0.620 150 A CB -0.540 18.474 19.000 0.024 0.000 0.819 150 A HN 0.489 nan 8.150 nan 0.000 0.442 151 I N -0.503 120.103 120.570 0.060 0.000 2.252 151 I HA -0.192 3.979 4.170 0.001 0.000 0.245 151 I C 1.679 177.852 176.117 0.093 0.000 1.102 151 I CA 1.316 62.658 61.300 0.070 0.000 1.385 151 I CB -0.209 37.835 38.000 0.073 0.000 1.064 151 I HN 0.363 nan 8.210 nan 0.000 0.414 152 E N 0.549 120.830 120.200 0.136 0.000 2.419 152 E HA 0.068 4.419 4.350 0.001 0.000 0.190 152 E C 1.767 178.479 176.600 0.187 0.000 1.040 152 E CA -0.146 56.370 56.400 0.192 0.000 0.900 152 E CB 0.212 30.125 29.700 0.354 0.000 1.054 152 E HN 0.476 nan 8.360 nan 0.000 0.462 153 I N 1.254 121.896 120.570 0.120 0.000 2.502 153 I HA -0.277 3.894 4.170 0.001 0.000 0.258 153 I C 0.966 177.140 176.117 0.094 0.000 1.172 153 I CA 1.302 62.660 61.300 0.097 0.000 1.430 153 I CB 0.265 38.304 38.000 0.064 0.000 1.086 153 I HN 0.046 nan 8.210 nan 0.000 0.440 154 D N 0.056 120.508 120.400 0.087 0.000 2.348 154 D HA 0.087 4.728 4.640 0.001 0.000 0.211 154 D C 0.606 176.946 176.300 0.066 0.000 0.998 154 D CA 0.280 54.322 54.000 0.069 0.000 0.873 154 D CB 0.210 41.042 40.800 0.052 0.000 0.925 154 D HN 0.106 nan 8.370 nan 0.000 0.524 155 V N 2.158 122.123 119.914 0.085 0.000 2.572 155 V HA 0.093 4.214 4.120 0.001 0.000 0.291 155 V C 0.640 176.767 176.094 0.055 0.000 1.039 155 V CA 0.100 62.426 62.300 0.043 0.000 1.055 155 V CB 1.047 32.881 31.823 0.018 0.000 0.969 155 V HN -0.047 nan 8.190 nan 0.000 0.482 156 I N 6.112 126.668 120.570 -0.023 0.000 2.569 156 I HA 0.694 4.865 4.170 0.001 0.000 0.296 156 I C -0.318 175.697 176.117 -0.171 0.000 1.028 156 I CA -0.535 60.740 61.300 -0.042 0.000 1.082 156 I CB 1.784 39.778 38.000 -0.010 0.000 1.264 156 I HN 0.603 nan 8.210 nan 0.000 0.429 157 L N 4.441 125.548 121.223 -0.193 0.000 2.630 157 L HA 0.779 5.119 4.340 0.001 0.000 0.258 157 L C -3.059 173.646 176.870 -0.275 0.000 1.072 157 L CA -2.074 52.553 54.840 -0.355 0.000 0.885 157 L CB 2.127 43.836 42.059 -0.585 0.000 1.502 157 L HN 0.153 nan 8.230 nan 0.000 0.406 158 P HA 0.298 nan 4.420 nan 0.000 0.275 158 P C -0.615 176.523 177.300 -0.269 0.000 1.228 158 P CA 0.053 62.962 63.100 -0.318 0.000 0.786 158 P CB 1.065 32.512 31.700 -0.422 0.000 0.927 159 G N 1.582 110.233 108.800 -0.248 0.000 2.367 159 G HA2 0.527 4.488 3.960 0.001 0.000 0.314 159 G HA3 0.527 4.488 3.960 0.001 0.000 0.314 159 G C -1.587 173.199 174.900 -0.189 0.000 1.130 159 G CA -0.181 44.882 45.100 -0.063 0.000 0.864 159 G HN 0.319 nan 8.290 nan 0.000 0.486 160 Y N -0.005 120.383 120.300 0.148 0.000 2.468 160 Y HA 0.642 5.192 4.550 0.001 0.000 0.342 160 Y C 0.428 176.384 175.900 0.093 0.000 1.021 160 Y CA -0.719 57.474 58.100 0.155 0.000 1.079 160 Y CB 2.847 41.450 38.460 0.238 0.000 1.226 160 Y HN 0.442 nan 8.280 nan 0.000 0.460 161 S N 2.521 118.356 115.700 0.224 0.000 2.672 161 S HA 0.319 4.790 4.470 0.001 0.000 0.291 161 S C -0.840 173.822 174.600 0.102 0.000 1.145 161 S CA -0.857 57.358 58.200 0.025 0.000 1.013 161 S CB 0.489 63.696 63.200 0.011 0.000 1.017 161 S HN 0.900 nan 8.310 nan 0.000 0.487 162 H N 1.802 120.961 119.070 0.147 0.000 2.992 162 H HA -0.137 4.420 4.556 0.002 0.000 0.266 162 H C 0.311 175.736 175.328 0.162 0.000 1.200 162 H CA 0.724 56.847 56.048 0.125 0.000 1.135 162 H CB -1.275 28.549 29.762 0.104 0.000 1.282 162 H HN 0.696 nan 8.280 nan 0.000 0.351 163 L N -1.042 120.347 121.223 0.277 0.000 4.001 163 L HA -0.257 4.084 4.340 0.001 0.000 0.413 163 L C -0.077 177.062 176.870 0.450 0.000 1.185 163 L CA 1.506 56.532 54.840 0.310 0.000 0.963 163 L CB -0.469 41.697 42.059 0.178 0.000 1.976 163 L HN 0.423 nan 8.230 nan 0.000 0.939 164 Q N 0.293 120.373 119.800 0.467 0.000 2.365 164 Q HA 0.401 4.741 4.340 0.001 0.000 0.269 164 Q C 0.025 176.171 176.000 0.243 0.000 1.061 164 Q CA -0.736 55.276 55.803 0.349 0.000 0.816 164 Q CB 1.765 30.641 28.738 0.230 0.000 1.325 164 Q HN 0.252 nan 8.270 nan 0.000 0.446 165 K N 1.000 121.430 120.400 0.051 0.000 2.472 165 K HA 0.124 4.444 4.320 0.001 0.000 0.280 165 K C 0.378 176.914 176.600 -0.107 0.000 1.028 165 K CA 0.241 56.372 56.287 -0.260 0.000 1.045 165 K CB 0.596 32.977 32.500 -0.197 0.000 0.902 165 K HN 0.682 nan 8.250 nan 0.000 0.478 166 A N 3.933 126.669 122.820 -0.141 0.000 2.050 166 A HA 0.021 4.342 4.320 0.001 0.000 0.214 166 A C 0.019 177.592 177.584 -0.019 0.000 1.577 166 A CA 0.470 52.493 52.037 -0.023 0.000 0.752 166 A CB 0.285 19.294 19.000 0.015 0.000 1.220 166 A HN 0.776 nan 8.150 nan 0.000 0.543 167 Q N -0.818 118.950 119.800 -0.053 0.000 2.435 167 Q HA 0.517 4.858 4.340 0.001 0.000 0.282 167 Q C -3.217 172.755 176.000 -0.047 0.000 1.020 167 Q CA -2.202 53.594 55.803 -0.011 0.000 0.820 167 Q CB 1.657 30.412 28.738 0.029 0.000 1.436 167 Q HN 0.043 nan 8.270 nan 0.000 0.395 168 P HA 0.140 nan 4.420 nan 0.000 0.265 168 P C -0.722 176.572 177.300 -0.011 0.000 1.193 168 P CA 0.302 63.395 63.100 -0.012 0.000 0.765 168 P CB 0.314 32.084 31.700 0.117 0.000 0.823 169 I N -1.298 119.255 120.570 -0.029 0.000 3.191 169 I HA 0.592 4.763 4.170 0.001 0.000 0.313 169 I C -0.754 175.383 176.117 0.033 0.000 1.193 169 I CA -1.751 59.544 61.300 -0.008 0.000 0.968 169 I CB 2.426 40.421 38.000 -0.008 0.000 1.262 169 I HN 0.028 nan 8.210 nan 0.000 0.456 170 R N 1.993 122.530 120.500 0.062 0.000 2.390 170 R HA 0.126 4.466 4.340 0.001 0.000 0.291 170 R C 0.620 177.029 176.300 0.181 0.000 1.070 170 R CA -0.375 55.788 56.100 0.106 0.000 1.014 170 R CB 1.159 31.513 30.300 0.090 0.000 1.007 170 R HN 0.879 nan 8.270 nan 0.000 0.466 171 W N 3.194 124.491 121.300 -0.006 0.000 2.325 171 W HA -0.242 4.420 4.660 0.003 0.000 0.299 171 W C 0.700 177.308 176.519 0.148 0.000 1.215 171 W CA 1.584 58.949 57.345 0.033 0.000 1.244 171 W CB 0.083 29.528 29.460 -0.024 0.000 1.140 171 W HN 0.501 nan 8.180 nan 0.000 0.523 172 S N 0.615 116.352 115.700 0.061 0.000 2.399 172 S HA -0.286 4.184 4.470 0.001 0.000 0.231 172 S C 1.538 176.086 174.600 -0.086 0.000 1.022 172 S CA 1.827 59.975 58.200 -0.088 0.000 0.983 172 S CB -0.445 62.759 63.200 0.008 0.000 0.803 172 S HN 0.347 nan 8.310 nan 0.000 0.480 173 Q N 0.953 120.747 119.800 -0.010 0.000 2.084 173 Q HA -0.092 4.249 4.340 0.001 0.000 0.202 173 Q C 1.735 177.701 176.000 -0.056 0.000 0.978 173 Q CA 1.579 57.367 55.803 -0.026 0.000 0.844 173 Q CB -0.586 28.155 28.738 0.005 0.000 0.898 173 Q HN 0.540 nan 8.270 nan 0.000 0.426 174 F N 0.013 119.869 119.950 -0.156 0.000 2.075 174 F HA -0.164 4.365 4.527 0.002 0.000 0.297 174 F C 1.574 177.218 175.800 -0.259 0.000 1.113 174 F CA 1.532 59.428 58.000 -0.173 0.000 1.218 174 F CB -0.322 38.629 39.000 -0.083 0.000 0.984 174 F HN 0.125 nan 8.300 nan 0.000 0.472 175 L N 0.039 121.012 121.223 -0.417 0.000 2.012 175 L HA -0.258 4.083 4.340 0.001 0.000 0.210 175 L C 2.534 179.202 176.870 -0.338 0.000 1.073 175 L CA 1.416 55.978 54.840 -0.463 0.000 0.748 175 L CB -0.902 40.895 42.059 -0.437 0.000 0.891 175 L HN 0.250 nan 8.230 nan 0.000 0.431 176 L N -0.324 120.743 121.223 -0.260 0.000 2.191 176 L HA -0.173 4.168 4.340 0.001 0.000 0.212 176 L C 2.848 179.570 176.870 -0.246 0.000 1.103 176 L CA 1.244 55.965 54.840 -0.199 0.000 0.769 176 L CB -0.571 41.407 42.059 -0.135 0.000 0.908 176 L HN 0.418 nan 8.230 nan 0.000 0.438 177 S N -1.583 113.903 115.700 -0.358 0.000 2.383 177 S HA -0.199 4.272 4.470 0.001 0.000 0.227 177 S C 1.922 176.230 174.600 -0.487 0.000 1.026 177 S CA 0.789 58.740 58.200 -0.415 0.000 0.981 177 S CB -0.498 62.408 63.200 -0.490 0.000 0.818 177 S HN 0.454 nan 8.310 nan 0.000 0.472 178 H N 1.797 120.631 119.070 -0.394 0.000 2.363 178 H HA 0.239 4.796 4.556 0.001 0.000 0.301 178 H C 2.696 177.862 175.328 -0.270 0.000 1.074 178 H CA 1.281 57.112 56.048 -0.361 0.000 1.354 178 H CB -0.840 28.677 29.762 -0.409 0.000 1.397 178 H HN 0.591 nan 8.280 nan 0.000 0.516 179 A N 0.820 123.565 122.820 -0.124 0.000 1.902 179 A HA -0.118 4.203 4.320 0.001 0.000 0.217 179 A C 2.824 180.346 177.584 -0.104 0.000 1.181 179 A CA 1.605 53.583 52.037 -0.098 0.000 0.623 179 A CB -0.879 18.065 19.000 -0.093 0.000 0.818 179 A HN 0.205 nan 8.150 nan 0.000 0.443 180 V N -0.178 119.653 119.914 -0.138 0.000 2.343 180 V HA -0.259 3.862 4.120 0.001 0.000 0.247 180 V C 3.052 179.063 176.094 -0.140 0.000 1.051 180 V CA 1.964 64.190 62.300 -0.122 0.000 1.036 180 V CB -1.207 30.537 31.823 -0.132 0.000 0.654 180 V HN 0.627 nan 8.190 nan 0.000 0.451 181 A N -0.229 122.449 122.820 -0.237 0.000 1.902 181 A HA -0.148 4.172 4.320 0.001 0.000 0.217 181 A C 2.170 179.630 177.584 -0.206 0.000 1.181 181 A CA 1.734 53.541 52.037 -0.384 0.000 0.623 181 A CB -0.547 17.957 19.000 -0.826 0.000 0.818 181 A HN 0.517 nan 8.150 nan 0.000 0.443 182 L N 0.149 121.305 121.223 -0.112 0.000 2.201 182 L HA -0.141 4.199 4.340 0.001 0.000 0.212 182 L C 2.877 179.780 176.870 0.056 0.000 1.105 182 L CA 1.602 56.461 54.840 0.032 0.000 0.775 182 L CB -0.766 41.300 42.059 0.013 0.000 0.913 182 L HN 0.669 nan 8.230 nan 0.000 0.440 183 T N -3.111 111.451 114.554 0.013 0.000 2.904 183 T HA -0.128 4.222 4.350 0.001 0.000 0.267 183 T C 1.990 176.721 174.700 0.051 0.000 1.059 183 T CA 0.539 62.655 62.100 0.026 0.000 1.137 183 T CB -0.162 68.705 68.868 -0.002 0.000 0.879 183 T HN 0.271 nan 8.240 nan 0.000 0.467 184 R N 1.095 121.627 120.500 0.055 0.000 2.092 184 R HA -0.021 4.320 4.340 0.001 0.000 0.231 184 R C 2.192 178.579 176.300 0.145 0.000 1.119 184 R CA 1.469 57.619 56.100 0.083 0.000 0.970 184 R CB -0.320 30.029 30.300 0.082 0.000 0.864 184 R HN 0.447 nan 8.270 nan 0.000 0.440 185 D N 0.139 120.656 120.400 0.196 0.000 2.123 185 D HA -0.146 4.495 4.640 0.001 0.000 0.196 185 D C 1.834 178.337 176.300 0.338 0.000 0.992 185 D CA 1.267 55.439 54.000 0.287 0.000 0.833 185 D CB -0.276 40.670 40.800 0.243 0.000 0.954 185 D HN 0.028 nan 8.370 nan 0.000 0.455 186 S N 0.144 115.970 115.700 0.209 0.000 2.368 186 S HA -0.211 4.259 4.470 0.001 0.000 0.225 186 S C 1.849 176.488 174.600 0.064 0.000 1.030 186 S CA 1.534 59.814 58.200 0.133 0.000 0.999 186 S CB -0.070 63.180 63.200 0.083 0.000 0.844 186 S HN 0.262 nan 8.310 nan 0.000 0.459 187 E N 0.234 120.475 120.200 0.067 0.000 2.077 187 E HA -0.147 4.204 4.350 0.001 0.000 0.193 187 E C 2.407 179.025 176.600 0.030 0.000 0.989 187 E CA 0.914 57.337 56.400 0.038 0.000 0.800 187 E CB -0.060 29.665 29.700 0.042 0.000 0.746 187 E HN 0.433 nan 8.360 nan 0.000 0.452 188 R N 0.277 120.823 120.500 0.077 0.000 2.081 188 R HA -0.113 4.228 4.340 0.001 0.000 0.235 188 R C 2.651 178.907 176.300 -0.073 0.000 1.131 188 R CA 1.165 57.311 56.100 0.076 0.000 0.960 188 R CB -0.400 30.029 30.300 0.214 0.000 0.856 188 R HN 0.304 nan 8.270 nan 0.000 0.436 189 L N 0.154 121.232 121.223 -0.243 0.000 2.042 189 L HA -0.138 4.203 4.340 0.001 0.000 0.210 189 L C 2.198 178.912 176.870 -0.259 0.000 1.076 189 L CA 1.841 56.322 54.840 -0.597 0.000 0.749 189 L CB -0.669 41.032 42.059 -0.598 0.000 0.893 189 L HN 0.296 nan 8.230 nan 0.000 0.432 190 G N -0.811 107.911 108.800 -0.130 0.000 2.418 190 G HA2 -0.274 3.686 3.960 0.001 0.000 0.217 190 G HA3 -0.274 3.686 3.960 0.001 0.000 0.217 190 G C 1.311 176.179 174.900 -0.054 0.000 1.158 190 G CA 0.883 45.937 45.100 -0.075 0.000 0.771 190 G HN 0.515 nan 8.290 nan 0.000 0.545 191 E N -0.150 120.028 120.200 -0.038 0.000 2.072 191 E HA -0.064 4.287 4.350 0.001 0.000 0.191 191 E C 2.726 179.324 176.600 -0.002 0.000 0.985 191 E CA 0.883 57.277 56.400 -0.009 0.000 0.801 191 E CB -0.100 29.607 29.700 0.011 0.000 0.750 191 E HN 0.300 nan 8.360 nan 0.000 0.452 192 V N 1.554 121.456 119.914 -0.021 0.000 2.343 192 V HA -0.261 3.860 4.120 0.001 0.000 0.247 192 V C 2.326 178.429 176.094 0.016 0.000 1.051 192 V CA 1.708 64.021 62.300 0.023 0.000 1.036 192 V CB -0.401 31.436 31.823 0.024 0.000 0.654 192 V HN 0.185 nan 8.190 nan 0.000 0.451 193 K N -0.019 120.358 120.400 -0.039 0.000 2.103 193 K HA -0.209 4.111 4.320 0.001 0.000 0.207 193 K C 2.278 178.868 176.600 -0.017 0.000 1.048 193 K CA 1.194 57.456 56.287 -0.043 0.000 0.930 193 K CB -0.023 32.431 32.500 -0.077 0.000 0.716 193 K HN 0.312 nan 8.250 nan 0.000 0.444 194 K N 0.436 120.830 120.400 -0.009 0.000 2.026 194 K HA -0.153 4.168 4.320 0.001 0.000 0.208 194 K C 2.120 178.734 176.600 0.023 0.000 1.048 194 K CA 1.401 57.691 56.287 0.005 0.000 0.929 194 K CB -0.252 32.252 32.500 0.006 0.000 0.713 194 K HN 0.224 nan 8.250 nan 0.000 0.439 195 R N 0.303 120.823 120.500 0.033 0.000 2.236 195 R HA 0.120 4.461 4.340 0.001 0.000 0.208 195 R C 2.325 178.646 176.300 0.035 0.000 1.036 195 R CA 0.379 56.505 56.100 0.044 0.000 1.001 195 R CB -0.085 30.255 30.300 0.068 0.000 0.896 195 R HN 0.156 nan 8.270 nan 0.000 0.464 196 I N 0.699 121.290 120.570 0.035 0.000 2.500 196 I HA -0.161 4.010 4.170 0.001 0.000 0.252 196 I C 1.117 177.265 176.117 0.053 0.000 1.142 196 I CA 0.528 61.822 61.300 -0.010 0.000 1.451 196 I CB 0.011 38.016 38.000 0.009 0.000 1.093 196 I HN 0.037 nan 8.210 nan 0.000 0.430 197 N N 1.179 119.931 118.700 0.086 0.000 2.683 197 N HA 0.027 4.767 4.740 0.001 0.000 0.256 197 N C -0.946 174.765 175.510 0.334 0.000 1.270 197 N CA 0.239 53.408 53.050 0.198 0.000 0.954 197 N CB -0.170 38.348 38.487 0.052 0.000 1.289 197 N HN -0.088 nan 8.380 nan 0.000 0.508 198 V N 1.722 121.759 119.914 0.204 0.000 2.483 198 V HA 0.262 4.383 4.120 0.001 0.000 0.297 198 V C -0.025 175.796 176.094 -0.455 0.000 1.027 198 V CA -1.190 61.088 62.300 -0.037 0.000 0.855 198 V CB 1.707 33.495 31.823 -0.059 0.000 0.995 198 V HN 0.139 nan 8.190 nan 0.000 0.424 199 L N 9.424 130.206 121.223 -0.735 0.000 2.562 199 L HA 0.291 4.632 4.340 0.001 0.000 0.271 199 L C -1.377 175.167 176.870 -0.544 0.000 1.167 199 L CA 0.025 54.222 54.840 -1.072 0.000 0.917 199 L CB 0.807 42.468 42.059 -0.663 0.000 1.187 199 L HN 0.442 nan 8.230 nan 0.000 0.482 200 P HA 0.008 nan 4.420 nan 0.000 0.252 200 P C 0.527 177.710 177.300 -0.194 0.000 1.211 200 P CA -0.024 62.918 63.100 -0.264 0.000 0.824 200 P CB 0.448 32.014 31.700 -0.224 0.000 1.077 201 L N 0.741 121.836 121.223 -0.213 0.000 2.525 201 L HA 0.126 4.467 4.340 0.001 0.000 0.278 201 L C 1.354 178.182 176.870 -0.071 0.000 1.218 201 L CA 1.899 56.665 54.840 -0.124 0.000 0.878 201 L CB -0.440 41.576 42.059 -0.072 0.000 1.127 201 L HN 0.349 nan 8.230 nan 0.000 0.492 202 G N 2.305 111.077 108.800 -0.046 0.000 2.131 202 G HA2 -0.241 3.720 3.960 0.001 0.000 0.223 202 G HA3 -0.241 3.720 3.960 0.001 0.000 0.223 202 G C 0.695 175.580 174.900 -0.026 0.000 0.990 202 G CA 0.329 45.436 45.100 0.012 0.000 0.671 202 G HN 0.638 nan 8.290 nan 0.000 0.521 203 S N -0.084 115.580 115.700 -0.059 0.000 2.535 203 S HA 0.468 4.938 4.470 0.001 0.000 0.214 203 S C 1.890 176.454 174.600 -0.060 0.000 0.980 203 S CA 1.207 59.375 58.200 -0.054 0.000 0.907 203 S CB 0.239 63.404 63.200 -0.058 0.000 0.790 203 S HN 2.235 nan 8.310 nan 0.000 0.510 204 G N 1.719 110.469 108.800 -0.083 0.000 2.569 204 G HA2 -0.192 3.769 3.960 0.001 0.000 0.259 204 G HA3 -0.192 3.769 3.960 0.001 0.000 0.259 204 G C 0.838 175.668 174.900 -0.117 0.000 1.263 204 G CA -0.077 44.962 45.100 -0.102 0.000 0.928 204 G HN 0.648 nan 8.290 nan 0.000 0.572 205 A N -1.483 121.271 122.820 -0.111 0.000 1.970 205 A HA 0.567 4.888 4.320 0.001 0.000 0.216 205 A C 2.162 179.701 177.584 -0.074 0.000 1.170 205 A CA 2.596 54.562 52.037 -0.119 0.000 0.645 205 A CB -0.025 18.912 19.000 -0.106 0.000 0.816 205 A HN 1.802 nan 8.150 nan 0.000 0.447 206 L N -4.608 116.589 121.223 -0.045 0.000 1.465 206 L HA 0.298 4.639 4.340 0.001 0.000 0.144 206 L C 1.698 178.560 176.870 -0.012 0.000 1.333 206 L CA 0.854 55.685 54.840 -0.015 0.000 1.203 206 L CB -0.593 41.467 42.059 0.000 0.000 2.504 206 L HN 0.093 nan 8.230 nan 0.000 0.485 207 A N 0.648 123.459 122.820 -0.016 0.000 2.251 207 A HA 0.603 4.924 4.320 0.001 0.000 0.209 207 A C 0.999 178.574 177.584 -0.016 0.000 1.187 207 A CA 0.924 52.953 52.037 -0.013 0.000 0.823 207 A CB -0.426 18.567 19.000 -0.011 0.000 0.846 207 A HN 0.876 nan 8.150 nan 0.000 0.486 208 G N -0.703 108.084 108.800 -0.023 0.000 2.353 208 G HA2 -0.012 3.949 3.960 0.001 0.000 0.615 208 G HA3 -0.012 3.949 3.960 0.001 0.000 0.615 208 G C -0.701 174.186 174.900 -0.022 0.000 1.280 208 G CA -0.371 44.716 45.100 -0.022 0.000 1.000 208 G HN 0.597 nan 8.290 nan 0.000 0.516 209 N N 1.192 119.886 118.700 -0.011 0.000 2.458 209 N HA 0.583 5.324 4.740 0.001 0.000 0.270 209 N C -0.336 175.175 175.510 0.003 0.000 1.102 209 N CA -1.089 51.965 53.050 0.006 0.000 0.967 209 N CB 1.395 39.905 38.487 0.038 0.000 1.078 209 N HN 0.363 nan 8.380 nan 0.000 0.471 210 P HA 0.032 nan 4.420 nan 0.000 0.249 210 P C -0.109 177.190 177.300 -0.001 0.000 1.229 210 P CA 0.677 63.775 63.100 -0.003 0.000 0.788 210 P CB 0.269 31.964 31.700 -0.008 0.000 1.072 211 L N -0.337 120.888 121.223 0.004 0.000 3.141 211 L HA 0.301 4.642 4.340 0.001 0.000 0.267 211 L C 0.084 176.947 176.870 -0.013 0.000 1.281 211 L CA -0.295 54.542 54.840 -0.005 0.000 1.037 211 L CB -0.598 41.458 42.059 -0.006 0.000 1.407 211 L HN -0.170 nan 8.230 nan 0.000 0.566 212 D N 1.306 121.700 120.400 -0.009 0.000 2.751 212 D HA -0.232 4.409 4.640 0.001 0.000 0.233 212 D C 0.199 176.488 176.300 -0.019 0.000 1.149 212 D CA 0.542 54.535 54.000 -0.012 0.000 0.682 212 D CB -0.538 40.253 40.800 -0.015 0.000 1.068 212 D HN 0.189 nan 8.370 nan 0.000 0.429 213 I N 0.902 121.463 120.570 -0.015 0.000 2.815 213 I HA 0.009 4.180 4.170 0.001 0.000 0.291 213 I C 0.518 176.622 176.117 -0.020 0.000 1.209 213 I CA -0.004 61.278 61.300 -0.030 0.000 1.431 213 I CB 0.603 38.604 38.000 0.003 0.000 1.351 213 I HN 0.012 nan 8.210 nan 0.000 0.585 214 D N 7.253 127.633 120.400 -0.033 0.000 2.435 214 D HA 0.094 4.735 4.640 0.001 0.000 0.230 214 D C 1.092 177.388 176.300 -0.007 0.000 1.215 214 D CA 0.118 54.106 54.000 -0.020 0.000 0.947 214 D CB 0.370 41.156 40.800 -0.025 0.000 1.048 214 D HN 0.504 nan 8.370 nan 0.000 0.512 215 R N 2.258 122.757 120.500 -0.001 0.000 2.092 215 R HA -0.150 4.191 4.340 0.001 0.000 0.231 215 R C 1.615 177.917 176.300 0.003 0.000 1.119 215 R CA 0.858 56.959 56.100 0.002 0.000 0.970 215 R CB 0.046 30.339 30.300 -0.011 0.000 0.864 215 R HN 0.343 nan 8.270 nan 0.000 0.440 216 E N 1.610 121.811 120.200 0.001 0.000 2.118 216 E HA -0.222 4.129 4.350 0.001 0.000 0.195 216 E C 1.876 178.487 176.600 0.017 0.000 0.992 216 E CA 1.492 57.897 56.400 0.008 0.000 0.804 216 E CB -0.195 29.508 29.700 0.004 0.000 0.741 216 E HN 0.260 nan 8.360 nan 0.000 0.458 217 M N -0.444 119.164 119.600 0.012 0.000 2.132 217 M HA -0.104 4.377 4.480 0.001 0.000 0.263 217 M C 1.917 178.237 176.300 0.034 0.000 1.065 217 M CA 1.339 56.648 55.300 0.016 0.000 1.122 217 M CB -0.048 32.553 32.600 0.000 0.000 1.365 217 M HN 0.235 nan 8.290 nan 0.000 0.411 218 L N -0.354 120.893 121.223 0.040 0.000 2.017 218 L HA -0.235 4.106 4.340 0.001 0.000 0.208 218 L C 2.793 179.724 176.870 0.100 0.000 1.073 218 L CA 1.522 56.405 54.840 0.072 0.000 0.745 218 L CB -0.875 41.227 42.059 0.071 0.000 0.894 218 L HN 0.399 nan 8.230 nan 0.000 0.432 219 R N -0.331 120.217 120.500 0.080 0.000 2.083 219 R HA -0.201 4.139 4.340 0.001 0.000 0.237 219 R C 2.521 178.904 176.300 0.138 0.000 1.137 219 R CA 1.963 58.144 56.100 0.134 0.000 0.951 219 R CB -0.285 30.062 30.300 0.078 0.000 0.851 219 R HN 0.199 nan 8.270 nan 0.000 0.434 220 S N 0.259 116.006 115.700 0.079 0.000 2.356 220 S HA -0.130 4.341 4.470 0.001 0.000 0.223 220 S C 1.705 176.337 174.600 0.053 0.000 1.032 220 S CA 1.284 59.516 58.200 0.054 0.000 1.005 220 S CB -0.120 63.100 63.200 0.033 0.000 0.867 220 S HN 0.370 nan 8.310 nan 0.000 0.449 221 E N 0.854 121.090 120.200 0.061 0.000 2.077 221 E HA -0.061 4.290 4.350 0.001 0.000 0.193 221 E C 1.970 178.607 176.600 0.062 0.000 0.989 221 E CA 0.911 57.344 56.400 0.055 0.000 0.800 221 E CB -0.358 29.378 29.700 0.060 0.000 0.746 221 E HN 0.522 nan 8.360 nan 0.000 0.452 222 L N 0.345 121.637 121.223 0.116 0.000 2.558 222 L HA 0.036 4.376 4.340 0.001 0.000 0.225 222 L C 0.174 177.024 176.870 -0.034 0.000 1.128 222 L CA 0.207 55.115 54.840 0.113 0.000 0.868 222 L CB -0.207 42.057 42.059 0.341 0.000 1.006 222 L HN 0.068 nan 8.230 nan 0.000 0.454 223 E N -0.814 119.391 120.200 0.009 0.000 2.553 223 E HA -0.224 4.127 4.350 0.001 0.000 0.264 223 E C -0.301 176.224 176.600 -0.125 0.000 1.068 223 E CA 0.196 56.558 56.400 -0.063 0.000 0.774 223 E CB -1.805 27.826 29.700 -0.115 0.000 1.349 223 E HN 0.266 nan 8.360 nan 0.000 0.404 224 F N -0.164 119.770 119.950 -0.025 0.000 2.370 224 F HA 0.388 4.915 4.527 -0.000 0.000 0.324 224 F C 1.643 177.426 175.800 -0.029 0.000 1.116 224 F CA 0.317 58.297 58.000 -0.034 0.000 1.123 224 F CB 0.791 39.768 39.000 -0.038 0.000 1.238 224 F HN 0.040 nan 8.300 nan 0.000 0.536 225 A N 0.859 123.784 122.820 0.174 0.000 2.021 225 A HA 0.186 4.507 4.320 0.001 0.000 0.216 225 A C 0.642 178.271 177.584 0.076 0.000 1.163 225 A CA 1.256 53.344 52.037 0.085 0.000 0.676 225 A CB -0.425 18.605 19.000 0.051 0.000 0.818 225 A HN 0.671 nan 8.150 nan 0.000 0.453 226 S N -1.738 114.014 115.700 0.087 0.000 2.727 226 S HA 0.663 5.134 4.470 0.001 0.000 0.278 226 S C -0.685 173.907 174.600 -0.013 0.000 1.186 226 S CA -0.231 57.988 58.200 0.032 0.000 0.836 226 S CB 0.562 63.771 63.200 0.016 0.000 1.186 226 S HN 0.936 nan 8.310 nan 0.000 0.499 227 I N -0.359 120.185 120.570 -0.042 0.000 2.740 227 I HA 0.753 4.924 4.170 0.001 0.000 0.303 227 I C -0.060 176.007 176.117 -0.083 0.000 1.044 227 I CA -0.855 60.389 61.300 -0.092 0.000 1.064 227 I CB 2.237 40.194 38.000 -0.071 0.000 1.249 227 I HN 0.846 nan 8.210 nan 0.000 0.433 228 S N 4.947 120.578 115.700 -0.115 0.000 2.552 228 S HA 0.199 4.669 4.470 0.001 0.000 0.289 228 S C 0.822 175.391 174.600 -0.051 0.000 1.304 228 S CA -0.546 57.604 58.200 -0.084 0.000 1.063 228 S CB 0.888 64.027 63.200 -0.102 0.000 0.848 228 S HN 0.723 nan 8.310 nan 0.000 0.499 229 L N 1.497 122.700 121.223 -0.032 0.000 2.179 229 L HA 0.149 4.490 4.340 0.001 0.000 0.208 229 L C 1.102 177.962 176.870 -0.017 0.000 1.096 229 L CA 0.762 55.590 54.840 -0.020 0.000 0.779 229 L CB -0.557 41.495 42.059 -0.011 0.000 0.922 229 L HN 0.794 nan 8.230 nan 0.000 0.443 230 N N -1.340 117.351 118.700 -0.015 0.000 2.371 230 N HA 0.077 4.818 4.740 0.001 0.000 0.291 230 N C 0.845 176.348 175.510 -0.011 0.000 1.053 230 N CA 0.102 53.146 53.050 -0.010 0.000 0.870 230 N CB 1.465 39.951 38.487 -0.002 0.000 1.503 230 N HN -0.030 nan 8.380 nan 0.000 0.485 231 S N 3.611 119.304 115.700 -0.013 0.000 2.370 231 S HA -0.237 4.234 4.470 0.001 0.000 0.226 231 S C 1.671 176.270 174.600 -0.002 0.000 1.033 231 S CA 1.028 59.219 58.200 -0.015 0.000 1.011 231 S CB -0.362 62.827 63.200 -0.018 0.000 0.852 231 S HN 0.680 nan 8.310 nan 0.000 0.457 232 M N 1.642 121.246 119.600 0.006 0.000 2.117 232 M HA -0.088 4.393 4.480 0.001 0.000 0.262 232 M C 2.284 178.602 176.300 0.029 0.000 1.065 232 M CA 2.105 57.417 55.300 0.020 0.000 1.114 232 M CB -0.723 31.887 32.600 0.017 0.000 1.361 232 M HN 0.440 nan 8.290 nan 0.000 0.408 233 D N 0.491 120.905 120.400 0.023 0.000 2.084 233 D HA -0.134 4.507 4.640 0.001 0.000 0.194 233 D C 1.922 178.248 176.300 0.044 0.000 0.990 233 D CA 1.802 55.821 54.000 0.032 0.000 0.826 233 D CB 0.059 40.873 40.800 0.023 0.000 0.971 233 D HN 0.268 nan 8.370 nan 0.000 0.453 234 A N 0.108 122.942 122.820 0.023 0.000 1.978 234 A HA -0.127 4.194 4.320 0.001 0.000 0.220 234 A C 2.159 179.769 177.584 0.042 0.000 1.170 234 A CA 1.126 53.170 52.037 0.013 0.000 0.636 234 A CB -0.573 18.407 19.000 -0.034 0.000 0.810 234 A HN 0.382 nan 8.150 nan 0.000 0.448 235 I N 0.073 120.672 120.570 0.049 0.000 2.480 235 I HA -0.083 4.088 4.170 0.001 0.000 0.251 235 I C 2.539 178.746 176.117 0.151 0.000 1.124 235 I CA 1.876 63.225 61.300 0.082 0.000 1.444 235 I CB -0.922 37.112 38.000 0.058 0.000 1.098 235 I HN 0.507 nan 8.210 nan 0.000 0.428 236 S N 0.210 115.979 115.700 0.115 0.000 2.497 236 S HA 0.032 4.503 4.470 0.001 0.000 0.218 236 S C 0.675 175.316 174.600 0.068 0.000 1.023 236 S CA -0.420 57.837 58.200 0.094 0.000 0.913 236 S CB -0.279 62.955 63.200 0.058 0.000 0.800 236 S HN 0.473 nan 8.310 nan 0.000 0.505 237 E N 1.301 121.557 120.200 0.092 0.000 2.366 237 E HA 0.421 4.772 4.350 0.001 0.000 0.266 237 E C 0.160 176.825 176.600 0.108 0.000 1.051 237 E CA -0.653 55.799 56.400 0.087 0.000 0.884 237 E CB 0.485 30.250 29.700 0.107 0.000 1.006 237 E HN -0.023 nan 8.360 nan 0.000 0.417 238 R N 2.383 122.868 120.500 -0.025 0.000 2.642 238 R HA 0.127 4.468 4.340 0.001 0.000 0.435 238 R C -0.418 175.715 176.300 -0.279 0.000 1.046 238 R CA -0.220 55.707 56.100 -0.288 0.000 1.103 238 R CB -0.011 30.118 30.300 -0.284 0.000 1.425 238 R HN 0.632 nan 8.270 nan 0.000 0.586 239 D N 0.809 121.187 120.400 -0.037 0.000 2.133 239 D HA -0.203 4.438 4.640 0.001 0.000 0.195 239 D C 1.631 177.963 176.300 0.053 0.000 0.997 239 D CA 1.541 55.560 54.000 0.031 0.000 0.840 239 D CB -0.212 40.656 40.800 0.114 0.000 0.947 239 D HN 0.361 nan 8.370 nan 0.000 0.452 240 F N -0.324 119.664 119.950 0.063 0.000 2.216 240 F HA -0.118 4.409 4.527 0.000 0.000 0.300 240 F C 2.041 177.921 175.800 0.133 0.000 1.085 240 F CA 0.550 58.601 58.000 0.086 0.000 1.326 240 F CB -0.956 38.082 39.000 0.064 0.000 1.027 240 F HN -0.153 nan 8.300 nan 0.000 0.497 241 V N 0.773 120.351 119.914 -0.559 0.000 2.283 241 V HA -0.222 3.899 4.120 0.001 0.000 0.243 241 V C 2.591 178.682 176.094 -0.006 0.000 1.039 241 V CA 1.583 63.732 62.300 -0.251 0.000 1.016 241 V CB -0.648 30.918 31.823 -0.428 0.000 0.650 241 V HN 0.358 nan 8.190 nan 0.000 0.449 242 V N 1.461 121.330 119.914 -0.074 0.000 2.252 242 V HA -0.336 3.784 4.120 0.001 0.000 0.249 242 V C 2.577 178.704 176.094 0.055 0.000 1.056 242 V CA 2.611 64.902 62.300 -0.014 0.000 1.022 242 V CB -0.975 30.830 31.823 -0.030 0.000 0.641 242 V HN 0.879 nan 8.190 nan 0.000 0.445 243 E N -0.178 120.081 120.200 0.099 0.000 2.204 243 E HA -0.252 4.099 4.350 0.001 0.000 0.194 243 E C 2.140 178.872 176.600 0.220 0.000 0.989 243 E CA 1.481 57.963 56.400 0.137 0.000 0.824 243 E CB -0.495 29.285 29.700 0.133 0.000 0.756 243 E HN 0.579 nan 8.360 nan 0.000 0.477 244 F N 2.173 122.202 119.950 0.131 0.000 2.146 244 F HA 0.023 4.550 4.527 0.000 0.000 0.298 244 F C 1.823 177.771 175.800 0.246 0.000 1.096 244 F CA 1.109 59.237 58.000 0.212 0.000 1.275 244 F CB -0.093 39.011 39.000 0.174 0.000 1.008 244 F HN -0.076 nan 8.300 nan 0.000 0.480 245 L N -0.612 120.575 121.223 -0.061 0.000 2.201 245 L HA -0.156 4.184 4.340 0.001 0.000 0.212 245 L C 2.437 179.220 176.870 -0.145 0.000 1.105 245 L CA 1.110 55.830 54.840 -0.199 0.000 0.775 245 L CB -0.866 41.152 42.059 -0.069 0.000 0.913 245 L HN 0.100 nan 8.230 nan 0.000 0.440 246 S N 0.087 115.766 115.700 -0.035 0.000 2.371 246 S HA -0.152 4.319 4.470 0.001 0.000 0.224 246 S C 1.779 176.355 174.600 -0.039 0.000 1.029 246 S CA 1.144 59.335 58.200 -0.016 0.000 0.978 246 S CB -0.329 62.892 63.200 0.034 0.000 0.833 246 S HN 0.470 nan 8.310 nan 0.000 0.466 247 F N 2.959 122.842 119.950 -0.113 0.000 2.134 247 F HA -0.071 4.456 4.527 0.001 0.000 0.299 247 F C 2.222 177.916 175.800 -0.177 0.000 1.097 247 F CA 1.127 59.063 58.000 -0.107 0.000 1.264 247 F CB -0.801 38.170 39.000 -0.048 0.000 1.001 247 F HN 0.157 nan 8.300 nan 0.000 0.479 248 A N 0.049 122.403 122.820 -0.776 0.000 1.933 248 A HA -0.124 4.197 4.320 0.001 0.000 0.218 248 A C 2.181 179.447 177.584 -0.531 0.000 1.175 248 A CA 2.177 53.684 52.037 -0.882 0.000 0.628 248 A CB -1.475 17.099 19.000 -0.709 0.000 0.814 248 A HN 0.498 nan 8.150 nan 0.000 0.444 249 T N 0.091 114.441 114.554 -0.339 0.000 2.737 249 T HA -0.055 4.296 4.350 0.001 0.000 0.265 249 T C 1.837 176.375 174.700 -0.269 0.000 1.038 249 T CA 1.211 63.187 62.100 -0.206 0.000 1.144 249 T CB -0.309 68.527 68.868 -0.053 0.000 0.866 249 T HN 0.336 nan 8.240 nan 0.000 0.434 250 L N 0.734 121.771 121.223 -0.309 0.000 2.083 250 L HA -0.045 4.296 4.340 0.001 0.000 0.209 250 L C 2.372 178.899 176.870 -0.571 0.000 1.083 250 L CA 1.013 55.618 54.840 -0.391 0.000 0.752 250 L CB -0.323 41.553 42.059 -0.306 0.000 0.899 250 L HN 0.258 nan 8.230 nan 0.000 0.433 251 L N -0.455 120.451 121.223 -0.528 0.000 2.046 251 L HA -0.240 4.101 4.340 0.001 0.000 0.208 251 L C 2.385 179.074 176.870 -0.301 0.000 1.077 251 L CA 1.858 56.440 54.840 -0.430 0.000 0.747 251 L CB -0.487 41.224 42.059 -0.581 0.000 0.896 251 L HN 0.186 nan 8.230 nan 0.000 0.432 252 M N -0.707 118.716 119.600 -0.295 0.000 2.229 252 M HA -0.135 4.345 4.480 0.001 0.000 0.264 252 M C 2.250 178.452 176.300 -0.163 0.000 1.063 252 M CA 1.158 56.344 55.300 -0.190 0.000 1.114 252 M CB -1.021 31.484 32.600 -0.159 0.000 1.387 252 M HN 0.266 nan 8.290 nan 0.000 0.420 253 I N -0.552 119.885 120.570 -0.221 0.000 2.226 253 I HA -0.287 3.884 4.170 0.001 0.000 0.245 253 I C 2.278 178.356 176.117 -0.065 0.000 1.100 253 I CA 1.628 62.825 61.300 -0.172 0.000 1.374 253 I CB -1.472 36.395 38.000 -0.222 0.000 1.057 253 I HN 0.418 nan 8.210 nan 0.000 0.413 254 H N 0.268 119.283 119.070 -0.091 0.000 2.353 254 H HA -0.104 4.452 4.556 0.000 0.000 0.300 254 H C 2.387 177.665 175.328 -0.084 0.000 1.090 254 H CA 0.851 56.862 56.048 -0.062 0.000 1.327 254 H CB 0.051 29.779 29.762 -0.056 0.000 1.383 254 H HN 0.226 nan 8.280 nan 0.000 0.508 255 L N 0.474 121.705 121.223 0.013 0.000 2.093 255 L HA -0.158 4.183 4.340 0.001 0.000 0.208 255 L C 2.755 179.575 176.870 -0.084 0.000 1.085 255 L CA 1.173 55.974 54.840 -0.065 0.000 0.755 255 L CB -0.430 41.584 42.059 -0.076 0.000 0.904 255 L HN 0.373 nan 8.230 nan 0.000 0.435 256 S N -0.070 115.589 115.700 -0.068 0.000 2.402 256 S HA -0.244 4.227 4.470 0.001 0.000 0.229 256 S C 1.992 176.552 174.600 -0.067 0.000 1.021 256 S CA 1.264 59.421 58.200 -0.071 0.000 0.974 256 S CB -0.208 62.948 63.200 -0.073 0.000 0.800 256 S HN 0.392 nan 8.310 nan 0.000 0.484 257 K N 0.839 121.217 120.400 -0.037 0.000 2.031 257 K HA 0.067 4.388 4.320 0.001 0.000 0.205 257 K C 2.410 178.984 176.600 -0.043 0.000 1.049 257 K CA 1.234 57.518 56.287 -0.005 0.000 0.939 257 K CB -0.324 32.218 32.500 0.071 0.000 0.717 257 K HN 0.463 nan 8.250 nan 0.000 0.438 258 M N 0.306 119.799 119.600 -0.178 0.000 2.159 258 M HA -0.137 4.344 4.480 0.001 0.000 0.263 258 M C 1.999 178.154 176.300 -0.242 0.000 1.063 258 M CA 1.785 56.792 55.300 -0.489 0.000 1.110 258 M CB -0.115 32.038 32.600 -0.745 0.000 1.374 258 M HN 0.299 nan 8.290 nan 0.000 0.411 259 A N 0.079 122.797 122.820 -0.169 0.000 1.877 259 A HA -0.242 4.079 4.320 0.001 0.000 0.216 259 A C 1.839 179.346 177.584 -0.129 0.000 1.186 259 A CA 2.130 54.091 52.037 -0.126 0.000 0.620 259 A CB -0.910 18.031 19.000 -0.098 0.000 0.822 259 A HN 0.663 nan 8.150 nan 0.000 0.443 260 E N 0.416 120.541 120.200 -0.125 0.000 2.085 260 E HA -0.226 4.125 4.350 0.001 0.000 0.194 260 E C 1.420 177.879 176.600 -0.236 0.000 0.994 260 E CA 1.809 58.121 56.400 -0.146 0.000 0.801 260 E CB -0.236 29.398 29.700 -0.110 0.000 0.743 260 E HN 0.544 nan 8.360 nan 0.000 0.453 261 D N -0.212 120.049 120.400 -0.232 0.000 2.092 261 D HA -0.154 4.487 4.640 0.001 0.000 0.193 261 D C 1.855 177.738 176.300 -0.695 0.000 0.994 261 D CA 0.941 54.661 54.000 -0.467 0.000 0.828 261 D CB -0.266 40.498 40.800 -0.060 0.000 0.963 261 D HN 0.199 nan 8.370 nan 0.000 0.450 262 L N 0.828 121.880 121.223 -0.285 0.000 2.083 262 L HA -0.072 4.268 4.340 0.001 0.000 0.209 262 L C 2.412 179.202 176.870 -0.133 0.000 1.083 262 L CA 0.895 55.664 54.840 -0.118 0.000 0.752 262 L CB -0.710 41.352 42.059 0.005 0.000 0.899 262 L HN 0.096 nan 8.230 nan 0.000 0.433 263 I N -1.130 119.337 120.570 -0.173 0.000 2.226 263 I HA -0.323 3.847 4.170 0.001 0.000 0.245 263 I C 2.344 178.337 176.117 -0.207 0.000 1.100 263 I CA 1.308 62.522 61.300 -0.144 0.000 1.374 263 I CB -0.157 37.767 38.000 -0.127 0.000 1.057 263 I HN 0.169 nan 8.210 nan 0.000 0.413 264 I N -0.379 119.978 120.570 -0.355 0.000 2.252 264 I HA -0.296 3.875 4.170 0.001 0.000 0.245 264 I C 2.305 178.082 176.117 -0.567 0.000 1.102 264 I CA 1.248 62.224 61.300 -0.540 0.000 1.385 264 I CB -0.367 37.190 38.000 -0.737 0.000 1.064 264 I HN 0.190 nan 8.210 nan 0.000 0.414 265 Y N 0.639 120.666 120.300 -0.455 0.000 2.439 265 Y HA -0.121 4.430 4.550 0.001 0.000 0.292 265 Y C 2.881 178.704 175.900 -0.127 0.000 1.130 265 Y CA 0.761 58.701 58.100 -0.267 0.000 1.254 265 Y CB -1.143 37.342 38.460 0.042 0.000 1.000 265 Y HN 0.263 nan 8.280 nan 0.000 0.554 266 S N -0.757 114.968 115.700 0.041 0.000 2.593 266 S HA -0.005 4.465 4.470 0.001 0.000 0.217 266 S C 0.955 175.556 174.600 0.001 0.000 0.966 266 S CA 0.044 58.265 58.200 0.036 0.000 0.914 266 S CB -1.184 62.034 63.200 0.030 0.000 0.776 266 S HN 0.386 nan 8.310 nan 0.000 0.523 267 T N 0.673 115.207 114.554 -0.032 0.000 2.856 267 T HA 0.269 4.620 4.350 0.001 0.000 0.306 267 T C 1.384 176.096 174.700 0.020 0.000 1.062 267 T CA 0.055 62.152 62.100 -0.006 0.000 1.083 267 T CB 1.097 69.972 68.868 0.012 0.000 0.984 267 T HN 0.357 nan 8.240 nan 0.000 0.542 268 S N 0.613 116.323 115.700 0.016 0.000 2.423 268 S HA -0.108 4.363 4.470 0.001 0.000 0.231 268 S C 1.559 176.159 174.600 -0.001 0.000 1.014 268 S CA 0.699 58.903 58.200 0.006 0.000 0.965 268 S CB -0.544 62.657 63.200 0.003 0.000 0.785 268 S HN 0.795 nan 8.310 nan 0.000 0.495 269 E N 1.069 121.285 120.200 0.026 0.000 2.051 269 E HA 0.050 4.401 4.350 0.001 0.000 0.192 269 E C 1.480 178.026 176.600 -0.090 0.000 0.991 269 E CA 1.298 57.697 56.400 -0.002 0.000 0.799 269 E CB -0.443 29.290 29.700 0.056 0.000 0.748 269 E HN 0.606 nan 8.360 nan 0.000 0.449 270 F N -0.598 119.177 119.950 -0.291 0.000 2.149 270 F HA 0.169 4.697 4.527 0.001 0.000 0.294 270 F C 1.964 177.385 175.800 -0.632 0.000 1.095 270 F CA 1.232 58.858 58.000 -0.624 0.000 1.276 270 F CB -0.518 38.004 39.000 -0.796 0.000 1.023 270 F HN 0.175 nan 8.300 nan 0.000 0.480 271 G N -0.636 108.078 108.800 -0.144 0.000 2.179 271 G HA2 -0.321 3.640 3.960 0.001 0.000 0.257 271 G HA3 -0.321 3.640 3.960 0.001 0.000 0.257 271 G C 0.871 175.819 174.900 0.080 0.000 1.010 271 G CA 0.495 45.570 45.100 -0.042 0.000 0.736 271 G HN 0.241 nan 8.290 nan 0.000 0.513 272 F N -0.469 119.479 119.950 -0.005 0.000 2.259 272 F HA 0.379 4.907 4.527 0.001 0.000 0.298 272 F C 1.576 177.275 175.800 -0.169 0.000 1.088 272 F CA 1.034 58.947 58.000 -0.145 0.000 1.358 272 F CB -0.401 38.435 39.000 -0.273 0.000 1.040 272 F HN 0.495 nan 8.300 nan 0.000 0.505 273 L N -4.141 117.158 121.223 0.127 0.000 2.720 273 L HA 0.789 5.130 4.340 0.001 0.000 0.261 273 L C -0.870 176.043 176.870 0.072 0.000 1.046 273 L CA -0.741 54.135 54.840 0.059 0.000 0.886 273 L CB 1.978 44.080 42.059 0.071 0.000 1.493 273 L HN -0.371 nan 8.230 nan 0.000 0.407 274 T N 1.313 115.905 114.554 0.063 0.000 2.921 274 T HA 0.631 4.982 4.350 0.001 0.000 0.297 274 T C -0.466 174.283 174.700 0.080 0.000 1.013 274 T CA -0.498 61.640 62.100 0.063 0.000 0.990 274 T CB 1.460 70.356 68.868 0.046 0.000 1.023 274 T HN 0.611 nan 8.240 nan 0.000 0.447 275 L N 2.529 123.804 121.223 0.087 0.000 2.436 275 L HA 0.421 4.762 4.340 0.001 0.000 0.265 275 L C 1.409 178.355 176.870 0.127 0.000 1.168 275 L CA -0.648 54.263 54.840 0.117 0.000 0.815 275 L CB 0.874 43.009 42.059 0.126 0.000 1.109 275 L HN 0.817 nan 8.230 nan 0.000 0.462 276 S N -0.178 115.632 115.700 0.182 0.000 2.606 276 S HA 0.022 4.493 4.470 0.001 0.000 0.257 276 S C 0.532 175.196 174.600 0.106 0.000 1.327 276 S CA -0.570 57.720 58.200 0.151 0.000 0.984 276 S CB 0.887 64.210 63.200 0.204 0.000 0.941 276 S HN 0.586 nan 8.310 nan 0.000 0.576 277 D N 0.953 121.376 120.400 0.038 0.000 2.178 277 D HA 0.061 4.701 4.640 0.001 0.000 0.202 277 D C 2.111 178.362 176.300 -0.082 0.000 0.974 277 D CA 1.543 55.538 54.000 -0.009 0.000 0.841 277 D CB -0.775 40.013 40.800 -0.020 0.000 0.953 277 D HN 0.695 nan 8.370 nan 0.000 0.478 278 A N -0.485 122.224 122.820 -0.186 0.000 2.070 278 A HA -0.090 4.230 4.320 0.001 0.000 0.220 278 A C 1.141 178.320 177.584 -0.675 0.000 1.159 278 A CA 0.789 52.538 52.037 -0.481 0.000 0.656 278 A CB -0.504 18.067 19.000 -0.715 0.000 0.800 278 A HN 0.233 nan 8.150 nan 0.000 0.453 279 F N -0.100 119.856 119.950 0.010 0.000 2.791 279 F HA 0.278 4.806 4.527 0.002 0.000 0.308 279 F C 0.764 176.567 175.800 0.005 0.000 1.138 279 F CA 0.285 58.289 58.000 0.007 0.000 1.294 279 F CB 0.422 39.428 39.000 0.010 0.000 0.975 279 F HN 0.188 nan 8.300 nan 0.000 0.512 280 S N -1.249 114.507 115.700 0.093 0.000 2.656 280 S HA 0.822 5.293 4.470 0.001 0.000 0.273 280 S C -0.488 174.126 174.600 0.023 0.000 1.168 280 S CA -0.605 57.635 58.200 0.066 0.000 0.817 280 S CB 2.171 65.414 63.200 0.070 0.000 1.146 280 S HN 0.034 nan 8.310 nan 0.000 0.475 281 T N -2.250 112.316 114.554 0.019 0.000 2.916 281 T HA 0.935 5.286 4.350 0.001 0.000 0.292 281 T C 0.120 174.824 174.700 0.008 0.000 1.064 281 T CA -0.357 61.748 62.100 0.007 0.000 1.011 281 T CB 1.281 70.153 68.868 0.005 0.000 1.152 281 T HN 1.610 nan 8.240 nan 0.000 0.510 282 G N -0.451 108.351 108.800 0.003 0.000 2.721 282 G HA2 0.617 4.578 3.960 0.001 0.000 0.296 282 G HA3 0.617 4.578 3.960 0.001 0.000 0.296 282 G C -1.507 173.394 174.900 0.001 0.000 1.383 282 G CA -0.666 44.437 45.100 0.004 0.000 0.788 282 G HN 0.941 nan 8.290 nan 0.000 0.500 283 S N -1.340 114.361 115.700 0.002 0.000 2.521 283 S HA 0.502 4.973 4.470 0.001 0.000 0.295 283 S C 1.232 175.833 174.600 0.001 0.000 1.098 283 S CA 0.352 58.553 58.200 0.001 0.000 0.999 283 S CB 1.578 64.779 63.200 0.001 0.000 1.034 283 S HN 1.445 nan 8.310 nan 0.000 0.483 284 S N 4.210 119.909 115.700 -0.000 0.000 2.603 284 S HA 0.043 4.514 4.470 0.001 0.000 0.229 284 S C 1.086 175.686 174.600 0.000 0.000 0.972 284 S CA 0.304 58.504 58.200 -0.000 0.000 0.935 284 S CB -0.309 62.890 63.200 -0.001 0.000 0.769 284 S HN 0.573 nan 8.310 nan 0.000 0.536 285 L N 0.171 121.394 121.223 0.000 0.000 2.463 285 L HA 0.494 4.835 4.340 0.001 0.000 0.219 285 L C 1.052 177.922 176.870 0.001 0.000 1.088 285 L CA 0.936 55.776 54.840 0.000 0.000 0.849 285 L CB -0.450 41.609 42.059 0.000 0.000 1.012 285 L HN 0.409 nan 8.230 nan 0.000 0.468 286 M N 0.895 120.496 119.600 0.001 0.000 2.720 286 M HA 0.221 4.702 4.480 0.001 0.000 0.250 286 M C -1.692 174.610 176.300 0.003 0.000 1.280 286 M CA -0.838 54.463 55.300 0.002 0.000 0.579 286 M CB 1.639 34.240 32.600 0.002 0.000 1.469 286 M HN -0.181 nan 8.290 nan 0.000 0.416 287 P HA -0.165 nan 4.420 nan 0.000 0.223 287 P C 0.935 178.238 177.300 0.005 0.000 1.144 287 P CA 1.365 64.468 63.100 0.004 0.000 0.783 287 P CB 0.390 32.092 31.700 0.003 0.000 0.771 288 Q N -0.603 119.200 119.800 0.005 0.000 2.398 288 Q HA 0.067 4.407 4.340 0.001 0.000 0.204 288 Q C 0.573 176.578 176.000 0.009 0.000 0.932 288 Q CA 0.752 56.559 55.803 0.007 0.000 0.916 288 Q CB -0.036 28.705 28.738 0.005 0.000 1.024 288 Q HN 0.132 nan 8.270 nan 0.000 0.504 289 K N 0.893 121.297 120.400 0.007 0.000 2.143 289 K HA 0.349 4.670 4.320 0.001 0.000 0.272 289 K C -0.609 175.998 176.600 0.011 0.000 1.001 289 K CA -0.227 56.065 56.287 0.008 0.000 0.915 289 K CB 1.376 33.880 32.500 0.006 0.000 1.047 289 K HN -0.071 nan 8.250 nan 0.000 0.458 290 K N 2.321 122.730 120.400 0.014 0.000 2.471 290 K HA 0.315 4.636 4.320 0.001 0.000 0.252 290 K C -0.758 175.853 176.600 0.017 0.000 0.938 290 K CA -0.799 55.500 56.287 0.019 0.000 0.796 290 K CB 1.657 34.175 32.500 0.029 0.000 1.161 290 K HN 0.412 nan 8.250 nan 0.000 0.425 291 N N 4.017 122.726 118.700 0.016 0.000 2.422 291 N HA 0.135 4.876 4.740 0.001 0.000 0.264 291 N C -2.238 173.285 175.510 0.022 0.000 1.063 291 N CA -1.522 51.536 53.050 0.013 0.000 0.959 291 N CB 1.023 39.515 38.487 0.009 0.000 1.087 291 N HN 0.289 nan 8.380 nan 0.000 0.483 292 P HA 0.096 nan 4.420 nan 0.000 0.232 292 P C -0.312 177.004 177.300 0.026 0.000 1.738 292 P CA -0.073 63.043 63.100 0.026 0.000 0.948 292 P CB 0.017 31.720 31.700 0.005 0.000 1.943 293 D N 0.879 121.300 120.400 0.036 0.000 2.133 293 D HA -0.209 4.432 4.640 0.001 0.000 0.192 293 D C 2.269 178.596 176.300 0.045 0.000 1.001 293 D CA 2.395 56.416 54.000 0.034 0.000 0.844 293 D CB -0.340 40.481 40.800 0.034 0.000 0.944 293 D HN 0.294 nan 8.370 nan 0.000 0.447 294 S N 0.341 116.091 115.700 0.083 0.000 2.365 294 S HA -0.195 4.276 4.470 0.001 0.000 0.225 294 S C 2.117 176.733 174.600 0.026 0.000 1.039 294 S CA 0.881 59.136 58.200 0.092 0.000 1.033 294 S CB -0.861 62.444 63.200 0.176 0.000 0.887 294 S HN 0.272 nan 8.310 nan 0.000 0.447 295 L N 1.331 122.557 121.223 0.006 0.000 2.131 295 L HA -0.066 4.275 4.340 0.001 0.000 0.210 295 L C 2.934 179.785 176.870 -0.030 0.000 1.092 295 L CA 1.574 56.396 54.840 -0.029 0.000 0.759 295 L CB -0.641 41.395 42.059 -0.039 0.000 0.903 295 L HN 0.415 nan 8.230 nan 0.000 0.435 296 E N 0.138 120.328 120.200 -0.017 0.000 2.106 296 E HA -0.174 4.177 4.350 0.001 0.000 0.192 296 E C 2.367 178.958 176.600 -0.014 0.000 0.984 296 E CA 0.876 57.264 56.400 -0.019 0.000 0.806 296 E CB -0.058 29.635 29.700 -0.012 0.000 0.750 296 E HN 0.452 nan 8.360 nan 0.000 0.458 297 L N 0.746 121.967 121.223 -0.003 0.000 2.017 297 L HA -0.192 4.149 4.340 0.001 0.000 0.208 297 L C 2.479 179.342 176.870 -0.011 0.000 1.073 297 L CA 0.981 55.821 54.840 -0.000 0.000 0.745 297 L CB -0.362 41.706 42.059 0.014 0.000 0.894 297 L HN 0.159 nan 8.230 nan 0.000 0.432 298 I N -0.412 120.147 120.570 -0.019 0.000 2.127 298 I HA -0.367 3.804 4.170 0.001 0.000 0.241 298 I C 2.855 178.946 176.117 -0.043 0.000 1.075 298 I CA 1.420 62.699 61.300 -0.035 0.000 1.334 298 I CB -0.383 37.587 38.000 -0.051 0.000 1.040 298 I HN 0.262 nan 8.210 nan 0.000 0.405 299 R N 1.099 121.572 120.500 -0.046 0.000 2.103 299 R HA -0.223 4.118 4.340 0.001 0.000 0.242 299 R C 2.497 178.773 176.300 -0.040 0.000 1.142 299 R CA 2.230 58.300 56.100 -0.050 0.000 0.960 299 R CB -0.275 29.995 30.300 -0.051 0.000 0.858 299 R HN 0.500 nan 8.270 nan 0.000 0.439 300 S N 0.084 115.767 115.700 -0.028 0.000 2.447 300 S HA -0.050 4.421 4.470 0.001 0.000 0.233 300 S C 1.539 176.132 174.600 -0.012 0.000 1.006 300 S CA 0.694 58.884 58.200 -0.017 0.000 0.957 300 S CB -0.003 63.192 63.200 -0.010 0.000 0.773 300 S HN 0.236 nan 8.310 nan 0.000 0.507 301 K N 1.727 122.116 120.400 -0.018 0.000 2.288 301 K HA 0.271 4.591 4.320 0.001 0.000 0.201 301 K C 2.320 178.908 176.600 -0.021 0.000 1.048 301 K CA 0.948 57.226 56.287 -0.016 0.000 0.956 301 K CB -1.001 31.487 32.500 -0.020 0.000 0.746 301 K HN 0.517 nan 8.250 nan 0.000 0.461 302 A N 1.292 124.092 122.820 -0.034 0.000 1.883 302 A HA -0.115 4.206 4.320 0.001 0.000 0.217 302 A C 2.477 180.073 177.584 0.020 0.000 1.186 302 A CA 2.166 54.179 52.037 -0.041 0.000 0.624 302 A CB -1.122 17.834 19.000 -0.073 0.000 0.822 302 A HN 0.362 nan 8.150 nan 0.000 0.444 303 G N -0.814 108.005 108.800 0.032 0.000 2.421 303 G HA2 -0.254 3.707 3.960 0.001 0.000 0.216 303 G HA3 -0.254 3.707 3.960 0.001 0.000 0.216 303 G C 1.730 176.694 174.900 0.106 0.000 1.171 303 G CA 1.045 46.209 45.100 0.106 0.000 0.775 303 G HN 0.572 nan 8.290 nan 0.000 0.543 304 R N -0.123 120.402 120.500 0.042 0.000 2.096 304 R HA -0.087 4.254 4.340 0.001 0.000 0.240 304 R C 2.579 178.881 176.300 0.004 0.000 1.139 304 R CA 1.813 57.922 56.100 0.016 0.000 0.952 304 R CB -0.434 29.870 30.300 0.006 0.000 0.854 304 R HN 0.269 nan 8.270 nan 0.000 0.436 305 V N 0.668 120.586 119.914 0.008 0.000 2.379 305 V HA -0.200 3.921 4.120 0.001 0.000 0.245 305 V C 2.006 178.103 176.094 0.004 0.000 1.044 305 V CA 1.680 63.968 62.300 -0.020 0.000 1.036 305 V CB -0.674 31.111 31.823 -0.062 0.000 0.664 305 V HN 0.354 nan 8.190 nan 0.000 0.453 306 F N 2.385 122.277 119.950 -0.096 0.000 2.161 306 F HA -0.057 4.471 4.527 0.001 0.000 0.300 306 F C 2.112 177.869 175.800 -0.071 0.000 1.089 306 F CA 1.486 59.433 58.000 -0.089 0.000 1.282 306 F CB -0.940 38.011 39.000 -0.081 0.000 1.010 306 F HN 0.133 nan 8.300 nan 0.000 0.485 307 G N 0.768 109.428 108.800 -0.233 0.000 2.442 307 G HA2 -0.243 3.717 3.960 0.001 0.000 0.219 307 G HA3 -0.243 3.717 3.960 0.001 0.000 0.219 307 G C 1.826 176.561 174.900 -0.275 0.000 1.141 307 G CA 0.606 45.516 45.100 -0.315 0.000 0.763 307 G HN 0.210 nan 8.290 nan 0.000 0.554 308 R N -0.215 120.177 120.500 -0.179 0.000 2.075 308 R HA 0.050 4.390 4.340 0.001 0.000 0.232 308 R C 2.472 178.673 176.300 -0.166 0.000 1.126 308 R CA 0.800 56.815 56.100 -0.141 0.000 0.963 308 R CB -1.364 28.888 30.300 -0.081 0.000 0.858 308 R HN 0.446 nan 8.270 nan 0.000 0.435 309 L N 1.059 122.172 121.223 -0.182 0.000 2.012 309 L HA -0.113 4.228 4.340 0.001 0.000 0.210 309 L C 2.193 178.930 176.870 -0.222 0.000 1.073 309 L CA 2.255 56.998 54.840 -0.162 0.000 0.748 309 L CB -0.900 41.096 42.059 -0.105 0.000 0.891 309 L HN 0.172 nan 8.230 nan 0.000 0.431 310 A N -0.770 121.813 122.820 -0.396 0.000 1.902 310 A HA -0.227 4.094 4.320 0.001 0.000 0.217 310 A C 2.492 179.936 177.584 -0.232 0.000 1.181 310 A CA 2.320 54.131 52.037 -0.377 0.000 0.623 310 A CB -1.221 17.415 19.000 -0.607 0.000 0.818 310 A HN 0.712 nan 8.150 nan 0.000 0.443 311 S N 0.092 115.664 115.700 -0.215 0.000 2.356 311 S HA -0.141 4.330 4.470 0.001 0.000 0.223 311 S C 1.773 176.295 174.600 -0.129 0.000 1.032 311 S CA 1.513 59.621 58.200 -0.154 0.000 1.005 311 S CB -0.575 62.541 63.200 -0.140 0.000 0.867 311 S HN 0.315 nan 8.310 nan 0.000 0.449 312 I N 2.219 122.712 120.570 -0.128 0.000 2.394 312 I HA -0.016 4.155 4.170 0.001 0.000 0.251 312 I C 2.439 178.495 176.117 -0.102 0.000 1.136 312 I CA 0.708 61.939 61.300 -0.115 0.000 1.425 312 I CB -1.551 36.380 38.000 -0.115 0.000 1.079 312 I HN 0.317 nan 8.210 nan 0.000 0.425 313 L N -0.335 120.828 121.223 -0.100 0.000 2.046 313 L HA -0.209 4.132 4.340 0.001 0.000 0.208 313 L C 2.666 179.492 176.870 -0.074 0.000 1.077 313 L CA 1.395 56.188 54.840 -0.079 0.000 0.747 313 L CB -0.451 41.566 42.059 -0.070 0.000 0.896 313 L HN 0.221 nan 8.230 nan 0.000 0.432 314 M N -0.799 118.751 119.600 -0.084 0.000 2.175 314 M HA -0.149 4.332 4.480 0.001 0.000 0.264 314 M C 2.133 178.390 176.300 -0.072 0.000 1.063 314 M CA 1.399 56.655 55.300 -0.073 0.000 1.119 314 M CB 0.076 32.629 32.600 -0.078 0.000 1.377 314 M HN -0.011 nan 8.290 nan 0.000 0.415 315 V N 1.117 120.982 119.914 -0.082 0.000 2.287 315 V HA -0.291 3.829 4.120 0.001 0.000 0.248 315 V C 2.299 178.344 176.094 -0.080 0.000 1.053 315 V CA 1.867 64.118 62.300 -0.083 0.000 1.027 315 V CB -0.650 31.117 31.823 -0.095 0.000 0.646 315 V HN 0.554 nan 8.190 nan 0.000 0.447 316 L N -0.642 120.533 121.223 -0.079 0.000 2.217 316 L HA -0.010 4.331 4.340 0.001 0.000 0.211 316 L C 1.532 178.368 176.870 -0.057 0.000 1.107 316 L CA 0.576 55.373 54.840 -0.072 0.000 0.783 316 L CB -0.409 41.608 42.059 -0.070 0.000 0.919 316 L HN 0.174 nan 8.230 nan 0.000 0.442 317 K N 1.517 121.886 120.400 -0.051 0.000 2.472 317 K HA -0.015 4.306 4.320 0.001 0.000 0.280 317 K C 0.950 177.527 176.600 -0.038 0.000 1.028 317 K CA 1.027 57.290 56.287 -0.040 0.000 1.045 317 K CB 0.379 32.856 32.500 -0.037 0.000 0.902 317 K HN 0.309 nan 8.250 nan 0.000 0.478 318 G N 3.588 112.369 108.800 -0.031 0.000 2.168 318 G HA2 -0.267 3.693 3.960 0.001 0.000 0.263 318 G HA3 -0.267 3.693 3.960 0.001 0.000 0.263 318 G C 0.255 175.135 174.900 -0.033 0.000 0.977 318 G CA 0.378 45.461 45.100 -0.029 0.000 0.659 318 G HN 0.549 nan 8.290 nan 0.000 0.533 319 L N 2.099 123.297 121.223 -0.041 0.000 2.397 319 L HA 0.392 4.733 4.340 0.001 0.000 0.271 319 L C -0.615 176.232 176.870 -0.039 0.000 1.148 319 L CA -1.562 53.248 54.840 -0.049 0.000 0.825 319 L CB 0.449 42.467 42.059 -0.068 0.000 1.117 319 L HN 0.112 nan 8.230 nan 0.000 0.456 320 P HA 0.245 nan 4.420 nan 0.000 0.278 320 P C -0.810 176.477 177.300 -0.021 0.000 1.266 320 P CA -0.598 62.488 63.100 -0.023 0.000 0.807 320 P CB 1.067 32.756 31.700 -0.019 0.000 1.094 321 S N -0.465 115.230 115.700 -0.008 0.000 2.592 321 S HA 0.276 4.747 4.470 0.001 0.000 0.271 321 S C 0.950 175.556 174.600 0.010 0.000 1.326 321 S CA -0.166 58.036 58.200 0.003 0.000 1.024 321 S CB 0.662 63.867 63.200 0.009 0.000 0.921 321 S HN 0.523 nan 8.310 nan 0.000 0.527 322 T N 0.463 115.035 114.554 0.030 0.000 3.571 322 T HA 0.157 4.508 4.350 0.001 0.000 0.217 322 T C -0.305 174.437 174.700 0.070 0.000 0.925 322 T CA 0.053 62.183 62.100 0.050 0.000 1.376 322 T CB -0.399 68.508 68.868 0.065 0.000 1.375 322 T HN 0.582 nan 8.240 nan 0.000 0.404 323 Y N 3.220 123.514 120.300 -0.009 0.000 2.319 323 Y HA 0.446 4.997 4.550 0.001 0.000 0.328 323 Y C -0.244 175.649 175.900 -0.011 0.000 1.133 323 Y CA -0.646 57.447 58.100 -0.010 0.000 1.265 323 Y CB 0.374 38.826 38.460 -0.014 0.000 1.218 323 Y HN 0.191 nan 8.280 nan 0.000 0.508 324 N N 4.398 122.606 118.700 -0.820 0.000 2.284 324 N HA 0.127 4.868 4.740 0.001 0.000 0.289 324 N C -0.075 174.965 175.510 -0.783 0.000 1.179 324 N CA -0.756 51.976 53.050 -0.530 0.000 0.774 324 N CB 2.057 40.381 38.487 -0.271 0.000 1.548 324 N HN 0.503 nan 8.380 nan 0.000 0.473 325 K N 0.907 121.096 120.400 -0.351 0.000 2.209 325 K HA -0.090 4.231 4.320 0.001 0.000 0.204 325 K C 0.382 176.875 176.600 -0.178 0.000 1.048 325 K CA 1.466 57.640 56.287 -0.188 0.000 0.940 325 K CB -0.140 32.343 32.500 -0.029 0.000 0.729 325 K HN 0.471 nan 8.250 nan 0.000 0.451 326 D N 0.194 120.480 120.400 -0.189 0.000 2.172 326 D HA -0.208 4.433 4.640 0.001 0.000 0.196 326 D C 1.420 177.635 176.300 -0.142 0.000 0.999 326 D CA 1.217 55.133 54.000 -0.139 0.000 0.856 326 D CB -0.175 40.546 40.800 -0.132 0.000 0.934 326 D HN 0.211 nan 8.370 nan 0.000 0.453 327 L N 0.478 121.577 121.223 -0.207 0.000 2.349 327 L HA -0.193 4.147 4.340 0.001 0.000 0.220 327 L C 2.155 178.984 176.870 -0.068 0.000 1.130 327 L CA 0.894 55.646 54.840 -0.147 0.000 0.791 327 L CB -0.534 41.422 42.059 -0.172 0.000 0.918 327 L HN 0.133 nan 8.230 nan 0.000 0.444 328 Q N -0.087 119.692 119.800 -0.036 0.000 2.364 328 Q HA -0.174 4.166 4.340 0.001 0.000 0.209 328 Q C 1.632 177.624 176.000 -0.014 0.000 0.977 328 Q CA 0.767 56.582 55.803 0.020 0.000 0.885 328 Q CB -0.046 28.727 28.738 0.058 0.000 0.941 328 Q HN 0.505 nan 8.270 nan 0.000 0.464 329 E N 1.180 121.346 120.200 -0.058 0.000 2.472 329 E HA -0.153 4.197 4.350 0.001 0.000 0.200 329 E C 1.322 177.842 176.600 -0.135 0.000 1.046 329 E CA 0.937 57.282 56.400 -0.093 0.000 0.871 329 E CB -0.021 29.622 29.700 -0.095 0.000 0.806 329 E HN 0.553 nan 8.360 nan 0.000 0.533 330 D N 1.104 121.427 120.400 -0.128 0.000 2.097 330 D HA -0.198 4.442 4.640 0.001 0.000 0.195 330 D C 1.567 177.720 176.300 -0.246 0.000 0.989 330 D CA 1.116 55.016 54.000 -0.166 0.000 0.827 330 D CB -0.421 40.286 40.800 -0.155 0.000 0.966 330 D HN 0.084 nan 8.370 nan 0.000 0.456 331 K N 0.427 120.650 120.400 -0.294 0.000 2.020 331 K HA -0.159 4.161 4.320 0.001 0.000 0.212 331 K C 2.366 178.458 176.600 -0.847 0.000 1.050 331 K CA 1.672 57.572 56.287 -0.645 0.000 0.929 331 K CB -0.182 32.067 32.500 -0.418 0.000 0.714 331 K HN 0.272 nan 8.250 nan 0.000 0.443 332 E N 0.329 120.200 120.200 -0.548 0.000 2.110 332 E HA -0.180 4.170 4.350 0.001 0.000 0.193 332 E C 2.035 178.490 176.600 -0.242 0.000 0.988 332 E CA 1.003 57.132 56.400 -0.452 0.000 0.804 332 E CB -0.084 29.306 29.700 -0.516 0.000 0.745 332 E HN 0.366 nan 8.360 nan 0.000 0.458 333 A N 0.722 123.416 122.820 -0.210 0.000 1.873 333 A HA -0.129 4.191 4.320 0.001 0.000 0.215 333 A C 2.476 180.060 177.584 -0.001 0.000 1.186 333 A CA 1.062 53.041 52.037 -0.097 0.000 0.616 333 A CB -0.593 18.347 19.000 -0.099 0.000 0.823 333 A HN 0.114 nan 8.150 nan 0.000 0.442 334 V N -0.713 119.175 119.914 -0.044 0.000 2.295 334 V HA -0.270 3.850 4.120 0.001 0.000 0.246 334 V C 2.356 178.636 176.094 0.310 0.000 1.049 334 V CA 2.060 64.448 62.300 0.146 0.000 1.024 334 V CB -1.059 30.777 31.823 0.021 0.000 0.648 334 V HN 0.642 nan 8.190 nan 0.000 0.447 335 F N 0.357 120.388 119.950 0.134 0.000 2.102 335 F HA -0.238 4.289 4.527 0.001 0.000 0.298 335 F C 2.544 178.428 175.800 0.140 0.000 1.105 335 F CA 1.437 59.522 58.000 0.141 0.000 1.239 335 F CB -0.393 38.622 39.000 0.024 0.000 0.991 335 F HN 0.256 nan 8.300 nan 0.000 0.474 336 D N 0.707 121.267 120.400 0.266 0.000 2.092 336 D HA -0.159 4.482 4.640 0.001 0.000 0.193 336 D C 2.087 178.492 176.300 0.175 0.000 0.994 336 D CA 1.327 55.425 54.000 0.164 0.000 0.828 336 D CB -0.300 40.544 40.800 0.074 0.000 0.963 336 D HN 0.038 nan 8.370 nan 0.000 0.450 337 V N -0.085 119.952 119.914 0.206 0.000 2.427 337 V HA -0.172 3.948 4.120 0.001 0.000 0.248 337 V C 2.722 179.009 176.094 0.322 0.000 1.051 337 V CA 1.125 63.547 62.300 0.204 0.000 1.048 337 V CB -0.297 31.623 31.823 0.161 0.000 0.666 337 V HN 0.124 nan 8.190 nan 0.000 0.456 338 V N 0.406 120.594 119.914 0.456 0.000 2.255 338 V HA -0.280 3.841 4.120 0.001 0.000 0.247 338 V C 2.324 178.581 176.094 0.271 0.000 1.051 338 V CA 2.372 64.924 62.300 0.420 0.000 1.018 338 V CB -0.677 31.377 31.823 0.386 0.000 0.641 338 V HN 0.561 nan 8.190 nan 0.000 0.445 339 D N -0.348 120.192 120.400 0.234 0.000 2.117 339 D HA -0.130 4.511 4.640 0.001 0.000 0.197 339 D C 2.270 178.639 176.300 0.115 0.000 0.987 339 D CA 1.814 55.907 54.000 0.155 0.000 0.829 339 D CB -0.505 40.377 40.800 0.136 0.000 0.961 339 D HN 0.406 nan 8.370 nan 0.000 0.460 340 T N 1.428 116.049 114.554 0.112 0.000 2.652 340 T HA -0.090 4.261 4.350 0.001 0.000 0.267 340 T C 2.236 176.969 174.700 0.056 0.000 1.039 340 T CA 0.653 62.794 62.100 0.068 0.000 1.153 340 T CB -0.340 68.558 68.868 0.049 0.000 0.863 340 T HN 0.123 nan 8.240 nan 0.000 0.428 341 L N 0.641 121.914 121.223 0.085 0.000 2.046 341 L HA -0.128 4.213 4.340 0.001 0.000 0.208 341 L C 2.947 179.865 176.870 0.080 0.000 1.077 341 L CA 1.275 56.160 54.840 0.076 0.000 0.747 341 L CB -1.231 40.909 42.059 0.135 0.000 0.896 341 L HN 0.308 nan 8.230 nan 0.000 0.432 342 T N 0.068 114.687 114.554 0.108 0.000 2.684 342 T HA -0.220 4.130 4.350 0.001 0.000 0.267 342 T C 1.990 176.647 174.700 -0.072 0.000 1.036 342 T CA 1.571 63.709 62.100 0.064 0.000 1.148 342 T CB -0.241 68.692 68.868 0.107 0.000 0.863 342 T HN 0.470 nan 8.240 nan 0.000 0.436 343 A N 0.739 123.547 122.820 -0.020 0.000 1.873 343 A HA -0.007 4.313 4.320 0.001 0.000 0.215 343 A C 2.610 180.172 177.584 -0.038 0.000 1.186 343 A CA 1.248 53.265 52.037 -0.033 0.000 0.616 343 A CB -1.018 17.986 19.000 0.007 0.000 0.823 343 A HN 0.332 nan 8.150 nan 0.000 0.442 344 V N 0.203 120.104 119.914 -0.020 0.000 2.287 344 V HA -0.270 3.851 4.120 0.001 0.000 0.248 344 V C 2.594 178.660 176.094 -0.046 0.000 1.053 344 V CA 2.047 64.331 62.300 -0.027 0.000 1.027 344 V CB -0.746 31.062 31.823 -0.025 0.000 0.646 344 V HN 0.565 nan 8.190 nan 0.000 0.447 345 L N -0.649 120.550 121.223 -0.041 0.000 2.083 345 L HA -0.245 4.096 4.340 0.001 0.000 0.209 345 L C 2.680 179.509 176.870 -0.069 0.000 1.083 345 L CA 1.661 56.483 54.840 -0.030 0.000 0.752 345 L CB -0.544 41.541 42.059 0.043 0.000 0.899 345 L HN 0.400 nan 8.230 nan 0.000 0.433 346 Q N -0.907 118.809 119.800 -0.140 0.000 2.123 346 Q HA -0.144 4.197 4.340 0.001 0.000 0.199 346 Q C 2.359 178.318 176.000 -0.067 0.000 0.966 346 Q CA 1.200 56.922 55.803 -0.135 0.000 0.845 346 Q CB -0.098 28.506 28.738 -0.224 0.000 0.907 346 Q HN 0.348 nan 8.270 nan 0.000 0.439 347 V N 1.083 120.968 119.914 -0.049 0.000 2.358 347 V HA -0.260 3.861 4.120 0.001 0.000 0.246 347 V C 2.288 178.241 176.094 -0.236 0.000 1.047 347 V CA 1.782 64.054 62.300 -0.047 0.000 1.035 347 V CB -0.905 30.936 31.823 0.031 0.000 0.658 347 V HN 0.383 nan 8.190 nan 0.000 0.452 348 A N -0.272 122.451 122.820 -0.161 0.000 1.908 348 A HA -0.240 4.081 4.320 0.001 0.000 0.218 348 A C 2.400 179.867 177.584 -0.196 0.000 1.181 348 A CA 2.581 54.513 52.037 -0.176 0.000 0.627 348 A CB -0.965 17.966 19.000 -0.114 0.000 0.818 348 A HN 0.505 nan 8.150 nan 0.000 0.445 349 T N -0.315 114.152 114.554 -0.145 0.000 2.708 349 T HA -0.038 4.313 4.350 0.001 0.000 0.266 349 T C 1.993 176.593 174.700 -0.166 0.000 1.037 349 T CA 1.493 63.529 62.100 -0.107 0.000 1.146 349 T CB -0.683 68.164 68.868 -0.035 0.000 0.865 349 T HN 0.588 nan 8.240 nan 0.000 0.435 350 G N 0.922 109.568 108.800 -0.257 0.000 2.418 350 G HA2 -0.168 3.793 3.960 0.001 0.000 0.217 350 G HA3 -0.168 3.793 3.960 0.001 0.000 0.217 350 G C 1.715 176.162 174.900 -0.755 0.000 1.158 350 G CA 0.795 45.677 45.100 -0.364 0.000 0.771 350 G HN 0.419 nan 8.290 nan 0.000 0.545 351 V N 1.470 120.779 119.914 -1.009 0.000 2.295 351 V HA -0.143 3.978 4.120 0.001 0.000 0.246 351 V C 2.780 178.733 176.094 -0.235 0.000 1.049 351 V CA 1.239 63.134 62.300 -0.674 0.000 1.024 351 V CB -0.291 31.257 31.823 -0.457 0.000 0.648 351 V HN 0.277 nan 8.190 nan 0.000 0.447 352 I N -0.062 120.407 120.570 -0.168 0.000 2.394 352 I HA -0.165 4.006 4.170 0.001 0.000 0.251 352 I C 2.658 178.780 176.117 0.008 0.000 1.136 352 I CA 1.851 63.128 61.300 -0.039 0.000 1.425 352 I CB -1.293 36.678 38.000 -0.048 0.000 1.079 352 I HN 0.377 nan 8.210 nan 0.000 0.425 353 S N 0.599 116.283 115.700 -0.026 0.000 2.371 353 S HA -0.133 4.337 4.470 0.001 0.000 0.224 353 S C 2.005 176.644 174.600 0.064 0.000 1.029 353 S CA 2.114 60.330 58.200 0.027 0.000 0.978 353 S CB -0.221 62.994 63.200 0.025 0.000 0.833 353 S HN 0.627 nan 8.310 nan 0.000 0.466 354 T N 0.394 114.990 114.554 0.071 0.000 3.044 354 T HA 0.313 4.664 4.350 0.001 0.000 0.250 354 T C 0.592 175.366 174.700 0.123 0.000 1.081 354 T CA -0.110 62.066 62.100 0.125 0.000 1.040 354 T CB -0.671 68.334 68.868 0.228 0.000 0.962 354 T HN 0.358 nan 8.240 nan 0.000 0.506 355 L N 0.514 121.800 121.223 0.106 0.000 2.467 355 L HA 0.466 4.807 4.340 0.001 0.000 0.270 355 L C -0.186 176.749 176.870 0.108 0.000 1.205 355 L CA -0.284 54.626 54.840 0.116 0.000 0.828 355 L CB 0.046 42.181 42.059 0.127 0.000 1.101 355 L HN 0.024 nan 8.230 nan 0.000 0.479 356 Q N 3.400 123.251 119.800 0.084 0.000 2.322 356 Q HA 0.569 4.909 4.340 0.001 0.000 0.265 356 Q C -0.556 175.449 176.000 0.009 0.000 0.985 356 Q CA -0.644 55.189 55.803 0.050 0.000 0.849 356 Q CB 2.439 31.201 28.738 0.040 0.000 1.274 356 Q HN 0.817 nan 8.270 nan 0.000 0.449 357 I N -1.268 119.275 120.570 -0.046 0.000 2.677 357 I HA 0.478 4.648 4.170 0.001 0.000 0.305 357 I C 0.124 176.158 176.117 -0.138 0.000 0.988 357 I CA -0.529 60.666 61.300 -0.174 0.000 1.260 357 I CB 1.648 39.405 38.000 -0.405 0.000 1.410 357 I HN 0.323 nan 8.210 nan 0.000 0.523 358 S N 3.204 118.811 115.700 -0.155 0.000 2.505 358 S HA 0.224 4.695 4.470 0.001 0.000 0.280 358 S C 0.814 175.321 174.600 -0.154 0.000 1.197 358 S CA -0.765 57.377 58.200 -0.098 0.000 1.138 358 S CB 0.301 63.485 63.200 -0.026 0.000 1.010 358 S HN 0.856 nan 8.310 nan 0.000 0.480 359 K N 2.954 123.259 120.400 -0.159 0.000 2.113 359 K HA -0.175 4.146 4.320 0.001 0.000 0.208 359 K C 1.807 178.331 176.600 -0.127 0.000 1.047 359 K CA 1.843 58.028 56.287 -0.170 0.000 0.928 359 K CB -0.095 32.338 32.500 -0.112 0.000 0.716 359 K HN 0.806 nan 8.250 nan 0.000 0.446 360 E N 0.167 120.320 120.200 -0.079 0.000 2.051 360 E HA -0.209 4.141 4.350 0.001 0.000 0.192 360 E C 1.528 178.102 176.600 -0.043 0.000 0.991 360 E CA 1.292 57.662 56.400 -0.051 0.000 0.799 360 E CB 0.046 29.729 29.700 -0.029 0.000 0.748 360 E HN 0.341 nan 8.360 nan 0.000 0.449 361 N N 0.120 118.809 118.700 -0.020 0.000 2.216 361 N HA -0.094 4.647 4.740 0.001 0.000 0.183 361 N C 1.852 177.396 175.510 0.058 0.000 1.017 361 N CA 1.099 54.180 53.050 0.052 0.000 0.861 361 N CB -0.186 38.374 38.487 0.123 0.000 0.986 361 N HN 0.287 nan 8.380 nan 0.000 0.428 362 M N 1.025 120.542 119.600 -0.139 0.000 2.086 362 M HA -0.138 4.343 4.480 0.001 0.000 0.261 362 M C 2.476 178.589 176.300 -0.311 0.000 1.067 362 M CA 2.045 57.064 55.300 -0.468 0.000 1.116 362 M CB -0.531 31.683 32.600 -0.644 0.000 1.348 362 M HN 0.282 nan 8.290 nan 0.000 0.407 363 E N 1.029 121.101 120.200 -0.214 0.000 2.072 363 E HA -0.224 4.127 4.350 0.001 0.000 0.191 363 E C 1.865 178.366 176.600 -0.165 0.000 0.985 363 E CA 1.789 58.078 56.400 -0.185 0.000 0.801 363 E CB -0.710 28.928 29.700 -0.102 0.000 0.750 363 E HN 0.558 nan 8.360 nan 0.000 0.452 364 K N -0.310 120.035 120.400 -0.092 0.000 2.103 364 K HA -0.021 4.300 4.320 0.001 0.000 0.207 364 K C 2.335 178.894 176.600 -0.070 0.000 1.048 364 K CA 1.117 57.371 56.287 -0.055 0.000 0.930 364 K CB -0.309 32.180 32.500 -0.017 0.000 0.716 364 K HN 0.352 nan 8.250 nan 0.000 0.444 365 A N 0.640 123.425 122.820 -0.059 0.000 2.172 365 A HA 0.019 4.340 4.320 0.001 0.000 0.216 365 A C 0.638 178.122 177.584 -0.166 0.000 1.154 365 A CA 0.468 52.481 52.037 -0.039 0.000 0.701 365 A CB -0.339 18.745 19.000 0.141 0.000 0.789 365 A HN 0.224 nan 8.150 nan 0.000 0.465 366 L N 2.147 123.170 121.223 -0.333 0.000 2.385 366 L HA 0.233 4.574 4.340 0.001 0.000 0.281 366 L C 0.473 177.099 176.870 -0.406 0.000 1.106 366 L CA -0.276 54.167 54.840 -0.661 0.000 0.856 366 L CB 0.528 41.768 42.059 -1.366 0.000 1.186 366 L HN 0.342 nan 8.230 nan 0.000 0.453 367 T N -0.218 114.264 114.554 -0.120 0.000 2.912 367 T HA 0.420 4.771 4.350 0.001 0.000 0.288 367 T C -2.093 172.820 174.700 0.354 0.000 1.030 367 T CA -2.141 60.045 62.100 0.143 0.000 1.020 367 T CB 2.102 71.003 68.868 0.056 0.000 1.056 367 T HN 0.158 nan 8.240 nan 0.000 0.480 368 P HA -0.075 nan 4.420 nan 0.000 0.218 368 P C 1.077 178.498 177.300 0.202 0.000 1.148 368 P CA 1.003 64.249 63.100 0.244 0.000 0.822 368 P CB 0.040 31.810 31.700 0.117 0.000 0.784 369 E N -0.932 119.353 120.200 0.141 0.000 2.160 369 E HA -0.139 4.212 4.350 0.001 0.000 0.195 369 E C 1.705 178.377 176.600 0.119 0.000 0.991 369 E CA 1.132 57.596 56.400 0.106 0.000 0.810 369 E CB -0.902 28.838 29.700 0.067 0.000 0.742 369 E HN 0.312 nan 8.360 nan 0.000 0.466 370 M N -0.044 119.644 119.600 0.148 0.000 2.686 370 M HA -0.007 4.474 4.480 0.001 0.000 0.246 370 M C 0.797 177.197 176.300 0.166 0.000 1.096 370 M CA 0.791 56.176 55.300 0.142 0.000 1.076 370 M CB 0.144 32.821 32.600 0.128 0.000 1.504 370 M HN 0.099 nan 8.290 nan 0.000 0.524 371 L N -1.428 119.891 121.223 0.160 0.000 2.693 371 L HA 0.277 4.618 4.340 0.001 0.000 0.235 371 L C 2.361 179.252 176.870 0.035 0.000 1.127 371 L CA -0.297 54.590 54.840 0.077 0.000 0.914 371 L CB -0.392 41.670 42.059 0.006 0.000 1.193 371 L HN 0.182 nan 8.230 nan 0.000 0.502 372 A N 0.439 123.308 122.820 0.082 0.000 1.940 372 A HA -0.179 4.141 4.320 0.001 0.000 0.219 372 A C 2.325 179.951 177.584 0.070 0.000 1.176 372 A CA 2.392 54.472 52.037 0.071 0.000 0.631 372 A CB -0.635 18.406 19.000 0.068 0.000 0.814 372 A HN 0.328 nan 8.150 nan 0.000 0.446 373 T N 0.264 114.875 114.554 0.094 0.000 2.746 373 T HA -0.120 4.231 4.350 0.001 0.000 0.267 373 T C 1.445 176.210 174.700 0.107 0.000 1.039 373 T CA 1.571 63.747 62.100 0.127 0.000 1.142 373 T CB -0.424 68.536 68.868 0.153 0.000 0.866 373 T HN 0.476 nan 8.240 nan 0.000 0.444 374 D N 0.832 121.271 120.400 0.065 0.000 2.178 374 D HA -0.021 4.619 4.640 0.001 0.000 0.201 374 D C 1.897 178.205 176.300 0.014 0.000 0.980 374 D CA 0.387 54.400 54.000 0.022 0.000 0.842 374 D CB -0.363 40.412 40.800 -0.041 0.000 0.948 374 D HN 0.179 nan 8.370 nan 0.000 0.472 375 L N 0.515 121.732 121.223 -0.011 0.000 2.156 375 L HA 0.031 4.372 4.340 0.001 0.000 0.208 375 L C 2.041 179.044 176.870 0.222 0.000 1.095 375 L CA 1.219 56.088 54.840 0.048 0.000 0.770 375 L CB -0.596 41.471 42.059 0.014 0.000 0.914 375 L HN -0.037 nan 8.230 nan 0.000 0.439 376 A N -0.688 122.228 122.820 0.160 0.000 1.898 376 A HA -0.126 4.195 4.320 0.001 0.000 0.216 376 A C 2.217 179.891 177.584 0.150 0.000 1.181 376 A CA 1.675 53.806 52.037 0.157 0.000 0.620 376 A CB -0.806 18.282 19.000 0.145 0.000 0.819 376 A HN 0.442 nan 8.150 nan 0.000 0.442 377 L N -1.770 119.536 121.223 0.139 0.000 2.131 377 L HA -0.206 4.135 4.340 0.001 0.000 0.210 377 L C 2.540 179.460 176.870 0.083 0.000 1.092 377 L CA 1.646 56.545 54.840 0.097 0.000 0.759 377 L CB -0.624 41.472 42.059 0.062 0.000 0.903 377 L HN 0.641 nan 8.230 nan 0.000 0.435 378 Y N 0.720 121.028 120.300 0.013 0.000 2.128 378 Y HA -0.260 4.291 4.550 0.001 0.000 0.284 378 Y C 2.275 178.174 175.900 -0.001 0.000 1.154 378 Y CA 1.615 59.723 58.100 0.014 0.000 1.149 378 Y CB -0.160 38.335 38.460 0.060 0.000 0.976 378 Y HN -0.000 nan 8.280 nan 0.000 0.505 379 L N -1.187 120.055 121.223 0.032 0.000 2.093 379 L HA -0.190 4.151 4.340 0.001 0.000 0.208 379 L C 2.429 179.214 176.870 -0.141 0.000 1.085 379 L CA 0.921 55.670 54.840 -0.151 0.000 0.755 379 L CB -0.790 41.195 42.059 -0.124 0.000 0.904 379 L HN 0.133 nan 8.230 nan 0.000 0.435 380 V N 0.229 120.113 119.914 -0.049 0.000 2.282 380 V HA -0.317 3.804 4.120 0.001 0.000 0.249 380 V C 2.611 178.663 176.094 -0.070 0.000 1.057 380 V CA 1.874 64.162 62.300 -0.020 0.000 1.032 380 V CB -0.586 31.264 31.823 0.046 0.000 0.645 380 V HN 0.445 nan 8.190 nan 0.000 0.447 381 R N -0.151 120.284 120.500 -0.108 0.000 2.241 381 R HA -0.085 4.256 4.340 0.001 0.000 0.224 381 R C 1.748 177.947 176.300 -0.169 0.000 1.101 381 R CA 0.772 56.794 56.100 -0.129 0.000 0.995 381 R CB -0.206 30.010 30.300 -0.140 0.000 0.870 381 R HN 0.468 nan 8.270 nan 0.000 0.463 382 K N -0.293 119.969 120.400 -0.229 0.000 2.446 382 K HA 0.100 4.421 4.320 0.001 0.000 0.203 382 K C 0.598 177.113 176.600 -0.143 0.000 1.027 382 K CA 0.448 56.604 56.287 -0.219 0.000 1.166 382 K CB 1.032 33.340 32.500 -0.320 0.000 0.869 382 K HN 0.352 nan 8.250 nan 0.000 0.504 383 G N 0.780 109.516 108.800 -0.107 0.000 2.175 383 G HA2 -0.232 3.729 3.960 0.001 0.000 0.244 383 G HA3 -0.232 3.729 3.960 0.001 0.000 0.244 383 G C 0.185 175.049 174.900 -0.060 0.000 0.982 383 G CA -0.156 44.901 45.100 -0.071 0.000 0.641 383 G HN 0.131 nan 8.290 nan 0.000 0.527 384 V N 2.674 122.542 119.914 -0.077 0.000 2.479 384 V HA 0.337 4.458 4.120 0.001 0.000 0.281 384 V C -1.219 174.866 176.094 -0.015 0.000 1.031 384 V CA -1.010 61.253 62.300 -0.062 0.000 1.038 384 V CB 0.964 32.727 31.823 -0.101 0.000 0.981 384 V HN 0.146 nan 8.190 nan 0.000 0.478 385 P HA -0.054 nan 4.420 nan 0.000 0.265 385 P C 0.667 178.018 177.300 0.084 0.000 1.187 385 P CA 0.033 63.163 63.100 0.051 0.000 0.766 385 P CB 0.309 32.031 31.700 0.035 0.000 0.820 386 F N 4.727 124.678 119.950 0.001 0.000 2.048 386 F HA -0.337 4.191 4.527 0.003 0.000 0.296 386 F C 2.027 177.854 175.800 0.045 0.000 1.109 386 F CA 1.968 59.978 58.000 0.017 0.000 1.214 386 F CB -0.410 38.592 39.000 0.003 0.000 0.963 386 F HN 0.244 nan 8.300 nan 0.000 0.491 387 R N -0.233 120.042 120.500 -0.376 0.000 2.092 387 R HA -0.148 4.192 4.340 0.001 0.000 0.231 387 R C 2.305 178.488 176.300 -0.196 0.000 1.119 387 R CA 1.703 57.537 56.100 -0.443 0.000 0.970 387 R CB -0.527 29.663 30.300 -0.182 0.000 0.864 387 R HN 0.543 nan 8.270 nan 0.000 0.440 388 Q N 0.022 119.760 119.800 -0.103 0.000 2.119 388 Q HA -0.087 4.253 4.340 0.001 0.000 0.201 388 Q C 2.201 178.163 176.000 -0.063 0.000 0.972 388 Q CA 1.423 57.188 55.803 -0.063 0.000 0.847 388 Q CB -0.103 28.608 28.738 -0.046 0.000 0.903 388 Q HN 0.339 nan 8.270 nan 0.000 0.433 389 A N 0.671 123.453 122.820 -0.064 0.000 1.902 389 A HA -0.247 4.074 4.320 0.001 0.000 0.217 389 A C 1.810 179.389 177.584 -0.008 0.000 1.181 389 A CA 1.877 53.895 52.037 -0.031 0.000 0.623 389 A CB -0.791 18.212 19.000 0.006 0.000 0.818 389 A HN 0.457 nan 8.150 nan 0.000 0.443 390 H N -0.081 118.884 119.070 -0.176 0.000 2.353 390 H HA -0.088 4.469 4.556 0.001 0.000 0.300 390 H C 2.093 177.370 175.328 -0.085 0.000 1.090 390 H CA 2.406 58.356 56.048 -0.162 0.000 1.327 390 H CB -0.309 29.233 29.762 -0.367 0.000 1.383 390 H HN 0.388 nan 8.280 nan 0.000 0.508 391 T N 0.259 114.768 114.554 -0.075 0.000 2.746 391 T HA -0.116 4.234 4.350 0.001 0.000 0.267 391 T C 2.257 176.920 174.700 -0.061 0.000 1.039 391 T CA 1.205 63.258 62.100 -0.079 0.000 1.142 391 T CB -0.695 68.154 68.868 -0.031 0.000 0.866 391 T HN 0.547 nan 8.240 nan 0.000 0.444 392 A N 1.139 123.947 122.820 -0.020 0.000 1.883 392 A HA -0.115 4.206 4.320 0.001 0.000 0.217 392 A C 2.579 180.233 177.584 0.116 0.000 1.186 392 A CA 2.120 54.192 52.037 0.058 0.000 0.624 392 A CB -1.090 17.936 19.000 0.043 0.000 0.822 392 A HN 0.444 nan 8.150 nan 0.000 0.444 393 S N -0.855 114.888 115.700 0.073 0.000 2.402 393 S HA -0.000 4.470 4.470 0.001 0.000 0.229 393 S C 1.960 176.555 174.600 -0.008 0.000 1.021 393 S CA 1.479 59.723 58.200 0.074 0.000 0.974 393 S CB -0.557 62.667 63.200 0.040 0.000 0.800 393 S HN 0.710 nan 8.310 nan 0.000 0.484 394 G N 1.577 110.315 108.800 -0.104 0.000 2.408 394 G HA2 -0.131 3.830 3.960 0.001 0.000 0.217 394 G HA3 -0.131 3.830 3.960 0.001 0.000 0.217 394 G C 1.592 176.492 174.900 0.001 0.000 1.150 394 G CA 0.428 45.472 45.100 -0.092 0.000 0.776 394 G HN 0.428 nan 8.290 nan 0.000 0.542 395 K N 0.934 121.340 120.400 0.010 0.000 2.057 395 K HA 0.034 4.355 4.320 0.001 0.000 0.206 395 K C 2.900 179.554 176.600 0.090 0.000 1.050 395 K CA 1.100 57.412 56.287 0.041 0.000 0.935 395 K CB -0.514 32.009 32.500 0.037 0.000 0.715 395 K HN 0.261 nan 8.250 nan 0.000 0.439 396 A N 1.507 124.371 122.820 0.074 0.000 1.877 396 A HA -0.122 4.199 4.320 0.001 0.000 0.216 396 A C 2.552 180.158 177.584 0.037 0.000 1.186 396 A CA 1.570 53.633 52.037 0.042 0.000 0.620 396 A CB -0.789 18.221 19.000 0.016 0.000 0.822 396 A HN 0.053 nan 8.150 nan 0.000 0.443 397 V N 0.074 120.016 119.914 0.048 0.000 2.287 397 V HA -0.315 3.805 4.120 0.001 0.000 0.248 397 V C 2.592 178.713 176.094 0.046 0.000 1.053 397 V CA 2.343 64.667 62.300 0.040 0.000 1.027 397 V CB -1.014 30.833 31.823 0.040 0.000 0.646 397 V HN 0.811 nan 8.190 nan 0.000 0.447 398 H N -0.307 118.755 119.070 -0.013 0.000 2.321 398 H HA -0.159 4.398 4.556 0.001 0.000 0.300 398 H C 2.244 177.563 175.328 -0.015 0.000 1.087 398 H CA 2.255 58.296 56.048 -0.012 0.000 1.319 398 H CB -0.064 29.692 29.762 -0.010 0.000 1.379 398 H HN 0.343 nan 8.280 nan 0.000 0.501 399 L N 1.235 122.527 121.223 0.116 0.000 2.079 399 L HA -0.091 4.250 4.340 0.001 0.000 0.210 399 L C 2.694 179.531 176.870 -0.055 0.000 1.081 399 L CA 1.985 56.850 54.840 0.042 0.000 0.752 399 L CB -1.008 41.085 42.059 0.057 0.000 0.896 399 L HN 0.331 nan 8.230 nan 0.000 0.433 400 A N -0.886 121.899 122.820 -0.057 0.000 1.898 400 A HA -0.206 4.114 4.320 0.001 0.000 0.216 400 A C 2.159 179.684 177.584 -0.097 0.000 1.181 400 A CA 1.666 53.656 52.037 -0.078 0.000 0.620 400 A CB -0.610 18.347 19.000 -0.072 0.000 0.819 400 A HN 0.590 nan 8.150 nan 0.000 0.442 401 E N -0.518 119.608 120.200 -0.123 0.000 2.085 401 E HA -0.201 4.150 4.350 0.001 0.000 0.194 401 E C 2.284 178.786 176.600 -0.163 0.000 0.994 401 E CA 1.897 58.210 56.400 -0.144 0.000 0.801 401 E CB -0.429 29.162 29.700 -0.181 0.000 0.743 401 E HN 0.865 nan 8.360 nan 0.000 0.453 402 T N -0.299 114.122 114.554 -0.221 0.000 2.788 402 T HA -0.124 4.227 4.350 0.001 0.000 0.268 402 T C 1.630 176.273 174.700 -0.096 0.000 1.044 402 T CA 1.005 63.004 62.100 -0.168 0.000 1.139 402 T CB -0.131 68.640 68.868 -0.161 0.000 0.867 402 T HN 0.014 nan 8.240 nan 0.000 0.454 403 K N 1.033 121.381 120.400 -0.086 0.000 2.444 403 K HA 0.325 4.646 4.320 0.001 0.000 0.193 403 K C 1.301 177.863 176.600 -0.064 0.000 1.024 403 K CA 0.244 56.492 56.287 -0.065 0.000 1.077 403 K CB -0.112 32.351 32.500 -0.062 0.000 0.833 403 K HN 0.537 nan 8.250 nan 0.000 0.517 404 G N 2.925 111.683 108.800 -0.070 0.000 2.305 404 G HA2 -0.260 3.701 3.960 0.001 0.000 0.287 404 G HA3 -0.260 3.701 3.960 0.001 0.000 0.287 404 G C 0.058 174.922 174.900 -0.060 0.000 1.036 404 G CA 0.851 45.914 45.100 -0.061 0.000 0.887 404 G HN 0.514 nan 8.290 nan 0.000 0.505 405 I N -3.696 116.833 120.570 -0.069 0.000 3.174 405 I HA 0.881 5.052 4.170 0.001 0.000 0.313 405 I C 0.362 176.430 176.117 -0.081 0.000 1.155 405 I CA -0.799 60.456 61.300 -0.076 0.000 0.977 405 I CB 2.007 39.954 38.000 -0.088 0.000 1.248 405 I HN 0.195 nan 8.210 nan 0.000 0.453 406 T N 0.078 114.577 114.554 -0.091 0.000 2.909 406 T HA 0.372 4.722 4.350 0.001 0.000 0.289 406 T C 1.390 176.001 174.700 -0.149 0.000 1.005 406 T CA -0.460 61.587 62.100 -0.090 0.000 1.084 406 T CB 1.274 70.097 68.868 -0.075 0.000 0.975 406 T HN 0.749 nan 8.240 nan 0.000 0.509 407 I N 0.564 121.063 120.570 -0.118 0.000 2.502 407 I HA -0.198 3.972 4.170 0.001 0.000 0.258 407 I C 1.746 177.545 176.117 -0.530 0.000 1.172 407 I CA 1.825 63.024 61.300 -0.169 0.000 1.430 407 I CB -1.092 36.925 38.000 0.027 0.000 1.086 407 I HN 0.794 nan 8.210 nan 0.000 0.440 408 N N 0.830 119.118 118.700 -0.687 0.000 2.515 408 N HA -0.080 4.660 4.740 0.001 0.000 0.185 408 N C 1.522 176.596 175.510 -0.725 0.000 1.109 408 N CA 0.303 52.578 53.050 -1.292 0.000 0.903 408 N CB -0.038 37.961 38.487 -0.814 0.000 0.969 408 N HN 0.221 nan 8.380 nan 0.000 0.450 409 K N 0.320 120.459 120.400 -0.435 0.000 2.361 409 K HA 0.220 4.541 4.320 0.001 0.000 0.194 409 K C 0.224 176.677 176.600 -0.245 0.000 1.032 409 K CA -0.132 55.986 56.287 -0.282 0.000 1.048 409 K CB 0.131 32.519 32.500 -0.187 0.000 0.842 409 K HN 0.286 nan 8.250 nan 0.000 0.526 410 L N 2.498 123.554 121.223 -0.278 0.000 2.514 410 L HA -0.039 4.301 4.340 0.001 0.000 0.280 410 L C 0.991 177.743 176.870 -0.195 0.000 1.223 410 L CA -0.059 54.657 54.840 -0.207 0.000 0.864 410 L CB 0.204 42.138 42.059 -0.208 0.000 1.118 410 L HN 0.068 nan 8.230 nan 0.000 0.494 411 S N 2.067 117.686 115.700 -0.135 0.000 2.632 411 S HA 0.168 4.638 4.470 0.001 0.000 0.267 411 S C 0.748 175.287 174.600 -0.102 0.000 1.276 411 S CA -0.818 57.318 58.200 -0.108 0.000 0.998 411 S CB 1.311 64.468 63.200 -0.071 0.000 0.953 411 S HN 0.562 nan 8.310 nan 0.000 0.547 412 L N 1.301 122.480 121.223 -0.074 0.000 2.046 412 L HA -0.105 4.236 4.340 0.001 0.000 0.208 412 L C 2.656 179.518 176.870 -0.013 0.000 1.077 412 L CA 2.132 56.944 54.840 -0.047 0.000 0.747 412 L CB -1.194 40.857 42.059 -0.013 0.000 0.896 412 L HN 0.913 nan 8.230 nan 0.000 0.432 413 E N -1.106 119.087 120.200 -0.011 0.000 2.077 413 E HA -0.255 4.096 4.350 0.001 0.000 0.193 413 E C 1.685 178.289 176.600 0.007 0.000 0.989 413 E CA 1.589 57.993 56.400 0.006 0.000 0.800 413 E CB -0.952 28.748 29.700 -0.000 0.000 0.746 413 E HN 0.533 nan 8.360 nan 0.000 0.452 414 D N 1.263 121.651 120.400 -0.020 0.000 2.117 414 D HA -0.080 4.561 4.640 0.001 0.000 0.197 414 D C 2.347 178.643 176.300 -0.008 0.000 0.987 414 D CA 0.779 54.767 54.000 -0.020 0.000 0.829 414 D CB -0.191 40.580 40.800 -0.049 0.000 0.961 414 D HN 0.189 nan 8.370 nan 0.000 0.460 415 L N 0.656 121.847 121.223 -0.053 0.000 2.017 415 L HA -0.172 4.168 4.340 0.001 0.000 0.208 415 L C 2.436 179.437 176.870 0.218 0.000 1.073 415 L CA 1.209 56.001 54.840 -0.079 0.000 0.745 415 L CB -0.255 41.589 42.059 -0.359 0.000 0.894 415 L HN -0.044 nan 8.230 nan 0.000 0.432 416 K N -0.158 120.349 120.400 0.177 0.000 2.147 416 K HA -0.157 4.164 4.320 0.001 0.000 0.205 416 K C 2.277 178.963 176.600 0.143 0.000 1.049 416 K CA 1.578 57.982 56.287 0.196 0.000 0.936 416 K CB -0.180 32.394 32.500 0.122 0.000 0.722 416 K HN 0.386 nan 8.250 nan 0.000 0.446 417 S N 0.754 116.516 115.700 0.103 0.000 2.419 417 S HA -0.106 4.364 4.470 0.001 0.000 0.233 417 S C 1.890 176.545 174.600 0.091 0.000 1.016 417 S CA 0.872 59.117 58.200 0.075 0.000 0.974 417 S CB -0.334 62.896 63.200 0.049 0.000 0.786 417 S HN 0.216 nan 8.310 nan 0.000 0.492 418 I N 0.420 121.077 120.570 0.145 0.000 2.494 418 I HA 0.141 4.311 4.170 0.001 0.000 0.250 418 I C 1.082 177.287 176.117 0.147 0.000 1.112 418 I CA 0.612 62.007 61.300 0.159 0.000 1.438 418 I CB 0.156 38.294 38.000 0.229 0.000 1.111 418 I HN 0.357 nan 8.210 nan 0.000 0.431 419 S N 0.356 116.179 115.700 0.205 0.000 2.603 419 S HA 0.327 4.798 4.470 0.001 0.000 0.274 419 S C -2.227 172.401 174.600 0.046 0.000 1.168 419 S CA -1.172 57.039 58.200 0.020 0.000 0.963 419 S CB 1.706 64.742 63.200 -0.273 0.000 1.078 419 S HN -0.125 nan 8.310 nan 0.000 0.477 420 P HA -0.038 nan 4.420 nan 0.000 0.234 420 P C 0.634 177.942 177.300 0.014 0.000 1.167 420 P CA 0.629 63.750 63.100 0.035 0.000 0.763 420 P CB 0.218 31.926 31.700 0.014 0.000 0.835 421 Q N -0.958 118.790 119.800 -0.086 0.000 2.435 421 Q HA 0.047 4.388 4.340 0.001 0.000 0.207 421 Q C 0.328 176.333 176.000 0.009 0.000 0.956 421 Q CA 0.390 56.124 55.803 -0.114 0.000 0.917 421 Q CB -0.427 28.169 28.738 -0.236 0.000 0.997 421 Q HN 0.321 nan 8.270 nan 0.000 0.497 422 F N 1.091 121.147 119.950 0.178 0.000 2.444 422 F HA 0.147 4.675 4.527 0.001 0.000 0.360 422 F C 0.818 176.717 175.800 0.165 0.000 1.106 422 F CA -0.349 57.794 58.000 0.238 0.000 1.170 422 F CB 0.662 39.730 39.000 0.114 0.000 1.113 422 F HN -0.283 nan 8.300 nan 0.000 0.521 423 S N 0.485 116.443 115.700 0.431 0.000 2.766 423 S HA 0.238 4.709 4.470 0.001 0.000 0.307 423 S C 1.075 175.781 174.600 0.177 0.000 1.121 423 S CA -0.255 58.095 58.200 0.249 0.000 0.980 423 S CB 1.526 64.859 63.200 0.220 0.000 1.159 423 S HN 0.627 nan 8.310 nan 0.000 0.546 424 S N 1.096 116.863 115.700 0.112 0.000 2.442 424 S HA -0.165 4.306 4.470 0.001 0.000 0.236 424 S C 1.134 175.769 174.600 0.058 0.000 1.007 424 S CA 1.503 59.741 58.200 0.063 0.000 0.965 424 S CB -0.700 62.527 63.200 0.046 0.000 0.773 424 S HN 0.815 nan 8.310 nan 0.000 0.504 425 D N 1.358 121.822 120.400 0.107 0.000 2.378 425 D HA 0.015 4.656 4.640 0.001 0.000 0.227 425 D C 1.580 177.911 176.300 0.052 0.000 1.012 425 D CA 0.318 54.382 54.000 0.106 0.000 0.905 425 D CB -0.590 40.305 40.800 0.159 0.000 0.895 425 D HN 0.373 nan 8.370 nan 0.000 0.532 426 V N 1.145 121.002 119.914 -0.095 0.000 3.026 426 V HA -0.224 3.897 4.120 0.001 0.000 0.265 426 V C 2.132 178.096 176.094 -0.215 0.000 1.121 426 V CA 1.994 63.980 62.300 -0.523 0.000 1.142 426 V CB -0.832 30.616 31.823 -0.624 0.000 0.730 426 V HN 0.422 nan 8.190 nan 0.000 0.503 427 S N -0.843 114.834 115.700 -0.039 0.000 2.419 427 S HA -0.280 4.191 4.470 0.001 0.000 0.233 427 S C 1.748 176.367 174.600 0.031 0.000 1.016 427 S CA 1.491 59.732 58.200 0.068 0.000 0.974 427 S CB -0.492 62.725 63.200 0.029 0.000 0.786 427 S HN 0.772 nan 8.310 nan 0.000 0.492 428 Q N 0.453 120.233 119.800 -0.034 0.000 2.364 428 Q HA 0.037 4.378 4.340 0.001 0.000 0.207 428 Q C 2.022 177.940 176.000 -0.137 0.000 0.970 428 Q CA 0.993 56.768 55.803 -0.047 0.000 0.888 428 Q CB -0.356 28.381 28.738 -0.001 0.000 0.951 428 Q HN 0.522 nan 8.270 nan 0.000 0.469 429 V N -0.012 119.723 119.914 -0.299 0.000 2.453 429 V HA -0.165 3.956 4.120 0.001 0.000 0.247 429 V C 0.762 176.473 176.094 -0.638 0.000 1.048 429 V CA 1.232 63.218 62.300 -0.523 0.000 1.049 429 V CB -0.251 31.054 31.823 -0.863 0.000 0.672 429 V HN 0.239 nan 8.190 nan 0.000 0.457 430 F N 2.058 121.889 119.950 -0.197 0.000 2.640 430 F HA 0.400 4.928 4.527 0.002 0.000 0.354 430 F C 0.548 176.143 175.800 -0.342 0.000 1.213 430 F CA 0.032 57.866 58.000 -0.277 0.000 1.314 430 F CB -0.345 38.516 39.000 -0.232 0.000 1.679 430 F HN 0.102 nan 8.300 nan 0.000 0.622 431 N N 1.289 119.796 118.700 -0.322 0.000 2.578 431 N HA 0.089 4.830 4.740 0.001 0.000 0.282 431 N C 0.049 175.378 175.510 -0.302 0.000 1.119 431 N CA -0.414 52.457 53.050 -0.298 0.000 0.948 431 N CB 0.564 38.980 38.487 -0.118 0.000 1.546 431 N HN 0.199 nan 8.380 nan 0.000 0.525 432 F N 1.523 121.491 119.950 0.030 0.000 2.293 432 F HA -0.084 4.443 4.527 0.001 0.000 0.300 432 F C 2.256 178.074 175.800 0.030 0.000 1.086 432 F CA 0.640 58.656 58.000 0.026 0.000 1.375 432 F CB 0.257 39.267 39.000 0.016 0.000 1.045 432 F HN 0.307 nan 8.300 nan 0.000 0.516 433 V N 0.240 120.250 119.914 0.160 0.000 2.358 433 V HA -0.265 3.855 4.120 0.001 0.000 0.246 433 V C 2.003 178.146 176.094 0.083 0.000 1.047 433 V CA 1.789 64.157 62.300 0.113 0.000 1.035 433 V CB -0.569 31.301 31.823 0.079 0.000 0.658 433 V HN 0.316 nan 8.190 nan 0.000 0.452 434 N N -0.120 118.604 118.700 0.041 0.000 2.166 434 N HA -0.136 4.604 4.740 0.001 0.000 0.186 434 N C 2.126 177.655 175.510 0.033 0.000 1.019 434 N CA 1.635 54.695 53.050 0.017 0.000 0.856 434 N CB -0.494 37.979 38.487 -0.024 0.000 0.993 434 N HN 0.432 nan 8.380 nan 0.000 0.426 435 S N 0.529 116.265 115.700 0.060 0.000 2.353 435 S HA -0.125 4.346 4.470 0.001 0.000 0.222 435 S C 2.114 176.840 174.600 0.210 0.000 1.035 435 S CA 1.875 60.144 58.200 0.116 0.000 1.025 435 S CB -0.435 62.874 63.200 0.182 0.000 0.902 435 S HN 0.227 nan 8.310 nan 0.000 0.440 436 V N -0.053 119.995 119.914 0.224 0.000 2.515 436 V HA 0.057 4.177 4.120 0.001 0.000 0.250 436 V C 2.064 178.313 176.094 0.258 0.000 1.058 436 V CA 1.722 64.191 62.300 0.281 0.000 1.064 436 V CB -0.980 30.947 31.823 0.173 0.000 0.675 436 V HN 0.290 nan 8.190 nan 0.000 0.461 437 E N 0.821 121.103 120.200 0.136 0.000 2.472 437 E HA -0.156 4.194 4.350 0.001 0.000 0.200 437 E C 2.206 178.817 176.600 0.019 0.000 1.046 437 E CA 1.016 57.464 56.400 0.079 0.000 0.871 437 E CB -0.266 29.462 29.700 0.047 0.000 0.806 437 E HN 0.820 nan 8.360 nan 0.000 0.533 438 Q N -0.704 119.062 119.800 -0.057 0.000 2.230 438 Q HA -0.099 4.242 4.340 0.001 0.000 0.202 438 Q C 0.228 176.005 176.000 -0.372 0.000 0.963 438 Q CA 0.692 56.327 55.803 -0.279 0.000 0.866 438 Q CB -0.081 28.343 28.738 -0.524 0.000 0.931 438 Q HN 0.371 nan 8.270 nan 0.000 0.452 439 Y N 1.064 121.377 120.300 0.022 0.000 2.826 439 Y HA 0.063 4.613 4.550 0.000 0.000 0.371 439 Y C 1.329 177.237 175.900 0.013 0.000 1.252 439 Y CA 0.057 58.167 58.100 0.017 0.000 1.813 439 Y CB -0.306 38.166 38.460 0.020 0.000 1.913 439 Y HN 0.104 nan 8.280 nan 0.000 0.447 440 T N -2.685 111.906 114.554 0.062 0.000 3.067 440 T HA 0.222 4.573 4.350 0.001 0.000 0.261 440 T C 1.156 175.883 174.700 0.045 0.000 1.110 440 T CA 0.144 62.273 62.100 0.048 0.000 1.113 440 T CB -0.023 68.855 68.868 0.015 0.000 0.917 440 T HN 0.419 nan 8.240 nan 0.000 0.499 441 A N 2.019 124.869 122.820 0.050 0.000 2.531 441 A HA 0.462 4.782 4.320 0.001 0.000 0.236 441 A C 0.528 178.140 177.584 0.047 0.000 1.062 441 A CA -0.509 51.553 52.037 0.041 0.000 0.760 441 A CB -0.362 18.666 19.000 0.045 0.000 0.995 441 A HN 0.604 nan 8.150 nan 0.000 0.501 442 L N 1.272 122.511 121.223 0.028 0.000 2.615 442 L HA 0.090 4.430 4.340 0.001 0.000 0.284 442 L C 1.414 178.295 176.870 0.020 0.000 1.237 442 L CA 1.243 56.095 54.840 0.020 0.000 0.905 442 L CB -0.200 41.865 42.059 0.009 0.000 1.149 442 L HN 1.378 nan 8.230 nan 0.000 0.499 443 A N 2.016 124.843 122.820 0.013 0.000 3.645 443 A HA -0.118 4.202 4.320 0.001 0.000 0.235 443 A C 0.902 178.489 177.584 0.006 0.000 0.973 443 A CA 0.443 52.480 52.037 -0.000 0.000 1.703 443 A CB -2.234 nan 19.000 nan 0.000 0.886 443 A HN 0.917 nan 8.150 nan 0.000 0.780 444 G N -1.310 107.516 108.800 0.044 0.000 2.653 444 G HA2 0.413 4.374 3.960 0.001 0.000 0.265 444 G HA3 0.413 4.374 3.960 0.001 0.000 0.265 444 G C 0.795 175.724 174.900 0.049 0.000 1.237 444 G CA 0.977 46.122 45.100 0.076 0.000 0.946 444 G HN 0.942 nan 8.290 nan 0.000 0.522 445 T N -0.590 113.993 114.554 0.048 0.000 3.129 445 T HA 0.400 4.751 4.350 0.001 0.000 0.251 445 T C 1.335 176.092 174.700 0.096 0.000 1.117 445 T CA 0.677 62.798 62.100 0.035 0.000 1.034 445 T CB -0.716 68.132 68.868 -0.033 0.000 0.968 445 T HN 0.823 nan 8.240 nan 0.000 0.526 446 A N 1.097 124.003 122.820 0.144 0.000 2.466 446 A HA 0.297 4.618 4.320 0.001 0.000 0.238 446 A C 1.543 179.173 177.584 0.076 0.000 1.074 446 A CA -0.056 52.053 52.037 0.120 0.000 0.774 446 A CB 0.131 19.197 19.000 0.110 0.000 1.015 446 A HN 0.518 nan 8.150 nan 0.000 0.498 447 K N 0.857 121.297 120.400 0.066 0.000 2.074 447 K HA -0.192 4.129 4.320 0.001 0.000 0.209 447 K C 2.132 178.756 176.600 0.039 0.000 1.048 447 K CA 2.145 58.463 56.287 0.051 0.000 0.926 447 K CB -0.181 32.348 32.500 0.048 0.000 0.713 447 K HN 0.881 nan 8.250 nan 0.000 0.444 448 S N -0.554 115.168 115.700 0.037 0.000 2.402 448 S HA -0.118 4.352 4.470 0.001 0.000 0.229 448 S C 2.095 176.711 174.600 0.026 0.000 1.021 448 S CA 1.480 59.697 58.200 0.028 0.000 0.974 448 S CB -0.204 63.011 63.200 0.025 0.000 0.800 448 S HN 0.321 nan 8.310 nan 0.000 0.484 449 S N 0.668 116.388 115.700 0.034 0.000 2.387 449 S HA 0.011 4.482 4.470 0.001 0.000 0.226 449 S C 1.813 176.423 174.600 0.018 0.000 1.026 449 S CA 1.044 59.261 58.200 0.029 0.000 0.972 449 S CB -0.579 62.648 63.200 0.045 0.000 0.814 449 S HN 0.415 nan 8.310 nan 0.000 0.477 450 V N 1.520 121.447 119.914 0.021 0.000 2.427 450 V HA -0.115 4.006 4.120 0.001 0.000 0.248 450 V C 2.640 178.737 176.094 0.006 0.000 1.051 450 V CA 2.239 64.545 62.300 0.010 0.000 1.048 450 V CB -1.233 30.601 31.823 0.019 0.000 0.666 450 V HN 0.543 nan 8.190 nan 0.000 0.456 451 T N -0.587 113.975 114.554 0.014 0.000 2.821 451 T HA -0.176 4.175 4.350 0.001 0.000 0.267 451 T C 1.950 176.654 174.700 0.006 0.000 1.046 451 T CA 2.002 64.109 62.100 0.012 0.000 1.139 451 T CB -0.320 68.558 68.868 0.016 0.000 0.871 451 T HN 0.527 nan 8.240 nan 0.000 0.454 452 T N 2.144 116.701 114.554 0.006 0.000 2.821 452 T HA -0.087 4.263 4.350 0.001 0.000 0.267 452 T C 2.140 176.838 174.700 -0.004 0.000 1.046 452 T CA 1.027 63.129 62.100 0.002 0.000 1.139 452 T CB -0.215 68.656 68.868 0.005 0.000 0.871 452 T HN 0.468 nan 8.240 nan 0.000 0.454 453 Q N 0.268 120.063 119.800 -0.008 0.000 2.050 453 Q HA -0.005 4.336 4.340 0.001 0.000 0.202 453 Q C 2.360 178.348 176.000 -0.020 0.000 0.980 453 Q CA 1.233 57.024 55.803 -0.019 0.000 0.840 453 Q CB -0.360 28.360 28.738 -0.030 0.000 0.898 453 Q HN 0.502 nan 8.270 nan 0.000 0.424 454 I N 0.968 121.529 120.570 -0.016 0.000 2.194 454 I HA -0.319 3.852 4.170 0.001 0.000 0.246 454 I C 2.030 178.141 176.117 -0.010 0.000 1.093 454 I CA 1.449 62.740 61.300 -0.014 0.000 1.355 454 I CB -0.284 37.712 38.000 -0.006 0.000 1.046 454 I HN 0.264 nan 8.210 nan 0.000 0.413 455 E N 0.327 120.524 120.200 -0.005 0.000 2.072 455 E HA -0.256 4.095 4.350 0.001 0.000 0.191 455 E C 2.223 178.820 176.600 -0.006 0.000 0.985 455 E CA 1.024 57.422 56.400 -0.003 0.000 0.801 455 E CB -0.155 29.545 29.700 -0.001 0.000 0.750 455 E HN 0.568 nan 8.360 nan 0.000 0.452 456 Q N 0.161 119.955 119.800 -0.009 0.000 2.084 456 Q HA -0.161 4.179 4.340 0.001 0.000 0.202 456 Q C 2.077 178.070 176.000 -0.012 0.000 0.978 456 Q CA 0.865 56.663 55.803 -0.010 0.000 0.844 456 Q CB 0.020 28.750 28.738 -0.013 0.000 0.898 456 Q HN 0.159 nan 8.270 nan 0.000 0.426 457 L N 0.424 121.638 121.223 -0.016 0.000 2.109 457 L HA -0.104 4.237 4.340 0.001 0.000 0.207 457 L C 2.151 179.014 176.870 -0.012 0.000 1.086 457 L CA 1.585 56.415 54.840 -0.018 0.000 0.760 457 L CB -0.584 41.459 42.059 -0.027 0.000 0.910 457 L HN 0.097 nan 8.230 nan 0.000 0.437 458 R N -0.744 119.751 120.500 -0.009 0.000 2.081 458 R HA -0.141 4.200 4.340 0.001 0.000 0.235 458 R C 2.063 178.360 176.300 -0.004 0.000 1.131 458 R CA 1.033 57.129 56.100 -0.005 0.000 0.960 458 R CB -0.088 30.210 30.300 -0.003 0.000 0.856 458 R HN 0.289 nan 8.270 nan 0.000 0.436 459 E N 0.631 120.828 120.200 -0.005 0.000 2.106 459 E HA -0.161 4.190 4.350 0.001 0.000 0.192 459 E C 1.917 178.515 176.600 -0.004 0.000 0.984 459 E CA 0.746 57.143 56.400 -0.004 0.000 0.806 459 E CB -0.205 29.493 29.700 -0.004 0.000 0.750 459 E HN 0.126 nan 8.360 nan 0.000 0.458 460 L N 0.510 121.730 121.223 -0.006 0.000 2.027 460 L HA -0.082 4.258 4.340 0.001 0.000 0.206 460 L C 2.236 179.104 176.870 -0.003 0.000 1.074 460 L CA 1.613 56.451 54.840 -0.005 0.000 0.745 460 L CB -0.540 41.515 42.059 -0.006 0.000 0.898 460 L HN 0.089 nan 8.230 nan 0.000 0.433 461 M N -0.513 119.085 119.600 -0.003 0.000 2.159 461 M HA -0.222 4.259 4.480 0.001 0.000 0.263 461 M C 2.444 178.742 176.300 -0.003 0.000 1.063 461 M CA 2.263 57.562 55.300 -0.002 0.000 1.110 461 M CB -0.575 32.024 32.600 -0.001 0.000 1.374 461 M HN 0.353 nan 8.290 nan 0.000 0.411 462 K N 0.976 121.374 120.400 -0.004 0.000 2.002 462 K HA -0.183 4.137 4.320 0.001 0.000 0.209 462 K C 1.827 178.424 176.600 -0.006 0.000 1.048 462 K CA 1.949 58.233 56.287 -0.005 0.000 0.930 462 K CB -0.882 31.616 32.500 -0.004 0.000 0.714 462 K HN 0.176 nan 8.250 nan 0.000 0.438 463 K N 0.752 121.149 120.400 -0.005 0.000 2.063 463 K HA -0.100 4.221 4.320 0.001 0.000 0.208 463 K C 2.508 179.104 176.600 -0.008 0.000 1.048 463 K CA 1.818 58.102 56.287 -0.006 0.000 0.928 463 K CB -0.175 32.322 32.500 -0.005 0.000 0.713 463 K HN 0.658 nan 8.250 nan 0.000 0.442 464 Q N -0.058 119.738 119.800 -0.006 0.000 2.079 464 Q HA -0.111 4.230 4.340 0.001 0.000 0.200 464 Q C 2.059 178.051 176.000 -0.013 0.000 0.974 464 Q CA 1.268 57.066 55.803 -0.007 0.000 0.840 464 Q CB -0.099 28.638 28.738 -0.001 0.000 0.898 464 Q HN 0.244 nan 8.270 nan 0.000 0.430 465 K N 1.228 121.621 120.400 -0.012 0.000 2.147 465 K HA -0.179 4.141 4.320 0.001 0.000 0.205 465 K C 1.477 178.065 176.600 -0.020 0.000 1.049 465 K CA 1.187 57.464 56.287 -0.017 0.000 0.936 465 K CB 0.159 32.651 32.500 -0.014 0.000 0.722 465 K HN 0.180 nan 8.250 nan 0.000 0.446 466 E N -0.117 120.073 120.200 -0.016 0.000 2.347 466 E HA -0.127 4.224 4.350 0.001 0.000 0.196 466 E C 0.594 177.182 176.600 -0.020 0.000 1.008 466 E CA 0.564 56.954 56.400 -0.017 0.000 0.852 466 E CB 0.124 29.817 29.700 -0.013 0.000 0.783 466 E HN 0.362 nan 8.360 nan 0.000 0.505 467 Q N 1.144 120.931 119.800 -0.021 0.000 2.452 467 Q HA 0.572 4.912 4.340 0.001 0.000 0.230 467 Q C -0.185 175.794 176.000 -0.034 0.000 1.180 467 Q CA 0.381 56.169 55.803 -0.025 0.000 0.914 467 Q CB 0.185 28.910 28.738 -0.022 0.000 1.408 467 Q HN 0.304 nan 8.270 nan 0.000 0.520 468 A N 0.000 122.798 122.820 -0.036 0.000 2.254 468 A HA 0.000 4.321 4.320 0.001 0.000 0.244 468 A CA 0.000 52.009 52.037 -0.046 0.000 0.836 468 A CB 0.000 18.969 19.000 -0.051 0.000 0.831 468 A HN 0.000 nan 8.150 nan 0.000 0.486