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 1xtb_1_A DATA FIRST_RESID 1 DATA SEQUENCE AALTRNPQFQ KLQQWHREHG SELNLRHLFD TDKERFNHFS LTLNTNHGHI DATA SEQUENCE LLDYSKNLVT EEVMHMLLDL AKSRGVEAAR ESMFNGEKIN STEDRAVLHV DATA SEQUENCE ALRNRSNTPI VVDGKDVMPE VNKVLDKMKA FCQRVRSGDW KGYTGKTITD DATA SEQUENCE VINIGIGGSD LGPLMVTEAL KPYSSGGPRV WFVSNIDGTH IAKTLACLNP DATA SEQUENCE ESSLFIIASK TFTTQETITN AKTAKDWFLL SAKDPSTVAK HFVALSTNTA DATA SEQUENCE KVKEFGIDPQ NMFEFWDWVG GRYSLWSAIG LSIALHVGFD NFEQLLSGAH DATA SEQUENCE WMDQHFRTTP LEKNAPVLLA MLGIWYINCF GCETQAVLPY DQYLHRFAAY DATA SEQUENCE FQQGDMESNG KYITKSGARV DHQTGPIVWG EPGTNGQHAF YQLIHQGTKM DATA SEQUENCE IPCDFLIPVQ TQHPIRKGLH HKILLANFLA QTEALMKGKS TEEARKELQA DATA SEQUENCE AGKSPEDLMK LLPHKVFEGN RPTNSIVFTK LTPFILGALI AMYEHKIFVQ DATA SEQUENCE GVVWDINSFD QWGVELGKQL AKKIEPELDG SSPVTSHDSS TNGLINFIKQ DATA SEQUENCE QREAKI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.627 177.584 0.072 0.000 1.274 1 A CA 0.000 52.072 52.037 0.059 0.000 0.836 1 A CB 0.000 19.017 19.000 0.028 0.000 0.831 2 A N 0.666 123.524 122.820 0.063 0.000 1.849 2 A HA -0.068 4.339 4.320 0.144 0.000 0.217 2 A C 2.054 179.639 177.584 0.001 0.000 1.202 2 A CA 1.767 53.826 52.037 0.037 0.000 0.629 2 A CB -0.989 18.029 19.000 0.031 0.000 0.834 2 A HN 0.842 nan 8.150 nan 0.000 0.447 3 L N 0.039 121.229 121.223 -0.056 0.000 1.997 3 L HA -0.253 4.174 4.340 0.144 0.000 0.216 3 L C 2.891 179.578 176.870 -0.305 0.000 1.074 3 L CA 2.718 57.376 54.840 -0.303 0.000 0.763 3 L CB -0.912 40.757 42.059 -0.650 0.000 0.890 3 L HN 0.714 nan 8.230 nan 0.000 0.434 4 T N -3.377 111.107 114.554 -0.117 0.000 2.977 4 T HA -0.187 4.249 4.350 0.144 0.000 0.271 4 T C 1.719 176.535 174.700 0.192 0.000 1.105 4 T CA 0.913 63.099 62.100 0.142 0.000 1.116 4 T CB -0.335 68.659 68.868 0.209 0.000 0.878 4 T HN 0.427 nan 8.240 nan 0.000 0.509 5 R N 0.901 121.467 120.500 0.111 0.000 2.223 5 R HA 0.207 4.633 4.340 0.144 0.000 0.198 5 R C 1.008 177.373 176.300 0.109 0.000 0.984 5 R CA -0.133 56.028 56.100 0.102 0.000 1.018 5 R CB -0.098 30.243 30.300 0.067 0.000 0.945 5 R HN 0.334 nan 8.270 nan 0.000 0.479 6 N N 2.863 121.630 118.700 0.110 0.000 2.440 6 N HA -0.032 4.794 4.740 0.144 0.000 0.265 6 N C -1.649 173.960 175.510 0.165 0.000 1.239 6 N CA -0.936 52.183 53.050 0.116 0.000 0.909 6 N CB 1.239 39.781 38.487 0.091 0.000 1.066 6 N HN -0.034 nan 8.380 nan 0.000 0.474 7 P HA -0.134 nan 4.420 nan 0.000 0.218 7 P C 0.658 178.020 177.300 0.103 0.000 1.149 7 P CA 1.272 64.431 63.100 0.098 0.000 0.817 7 P CB 0.508 32.247 31.700 0.066 0.000 0.785 8 Q N -1.081 118.783 119.800 0.106 0.000 2.119 8 Q HA -0.090 4.337 4.340 0.144 0.000 0.201 8 Q C 1.997 178.084 176.000 0.145 0.000 0.972 8 Q CA 1.190 57.050 55.803 0.096 0.000 0.847 8 Q CB -1.306 27.476 28.738 0.073 0.000 0.903 8 Q HN 0.230 nan 8.270 nan 0.000 0.433 9 F N 1.126 121.097 119.950 0.035 0.000 2.113 9 F HA -0.183 4.430 4.527 0.142 0.000 0.297 9 F C 1.883 177.727 175.800 0.075 0.000 1.103 9 F CA 1.554 59.584 58.000 0.050 0.000 1.248 9 F CB -0.152 38.869 39.000 0.034 0.000 0.999 9 F HN 0.077 nan 8.300 nan 0.000 0.475 10 Q N 0.172 120.016 119.800 0.074 0.000 2.084 10 Q HA -0.254 4.172 4.340 0.144 0.000 0.202 10 Q C 2.272 178.258 176.000 -0.023 0.000 0.978 10 Q CA 1.910 57.703 55.803 -0.017 0.000 0.844 10 Q CB -0.402 28.382 28.738 0.076 0.000 0.898 10 Q HN 0.443 nan 8.270 nan 0.000 0.426 11 K N 0.761 121.180 120.400 0.032 0.000 2.057 11 K HA -0.155 4.251 4.320 0.144 0.000 0.207 11 K C 2.094 178.754 176.600 0.100 0.000 1.049 11 K CA 0.786 57.115 56.287 0.069 0.000 0.931 11 K CB -0.084 32.457 32.500 0.068 0.000 0.714 11 K HN 0.167 nan 8.250 nan 0.000 0.440 12 L N 1.564 122.814 121.223 0.045 0.000 2.017 12 L HA -0.199 4.227 4.340 0.144 0.000 0.208 12 L C 2.190 179.155 176.870 0.157 0.000 1.073 12 L CA 1.809 56.708 54.840 0.099 0.000 0.745 12 L CB -0.816 41.272 42.059 0.049 0.000 0.894 12 L HN 0.424 nan 8.230 nan 0.000 0.432 13 Q N -0.956 118.781 119.800 -0.106 0.000 2.079 13 Q HA -0.269 4.157 4.340 0.144 0.000 0.200 13 Q C 2.082 178.102 176.000 0.033 0.000 0.974 13 Q CA 1.560 57.285 55.803 -0.130 0.000 0.840 13 Q CB -0.025 28.492 28.738 -0.368 0.000 0.898 13 Q HN 0.456 nan 8.270 nan 0.000 0.430 14 Q N 0.247 120.074 119.800 0.044 0.000 2.084 14 Q HA -0.193 4.234 4.340 0.144 0.000 0.202 14 Q C 1.501 177.554 176.000 0.089 0.000 0.978 14 Q CA 1.649 57.481 55.803 0.048 0.000 0.844 14 Q CB -0.524 28.243 28.738 0.048 0.000 0.898 14 Q HN 0.461 nan 8.270 nan 0.000 0.426 15 W N 0.218 121.540 121.300 0.038 0.000 2.358 15 W HA -0.215 4.534 4.660 0.147 0.000 0.303 15 W C 2.366 178.940 176.519 0.091 0.000 1.208 15 W CA 2.117 59.518 57.345 0.094 0.000 1.274 15 W CB -0.526 29.035 29.460 0.170 0.000 1.138 15 W HN 0.424 nan 8.180 nan 0.000 0.515 16 H N 0.685 119.971 119.070 0.360 0.000 2.353 16 H HA -0.119 4.523 4.556 0.143 0.000 0.300 16 H C 2.132 177.357 175.328 -0.172 0.000 1.090 16 H CA 2.116 58.236 56.048 0.120 0.000 1.327 16 H CB -0.097 29.614 29.762 -0.085 0.000 1.383 16 H HN 0.180 nan 8.280 nan 0.000 0.508 17 R N 0.232 120.700 120.500 -0.053 0.000 2.120 17 R HA -0.103 4.323 4.340 0.144 0.000 0.234 17 R C 2.267 178.391 176.300 -0.294 0.000 1.123 17 R CA 1.532 57.551 56.100 -0.135 0.000 0.975 17 R CB 0.004 30.256 30.300 -0.078 0.000 0.866 17 R HN 0.577 nan 8.270 nan 0.000 0.446 18 E N -0.998 118.931 120.200 -0.452 0.000 2.140 18 E HA -0.041 4.395 4.350 0.144 0.000 0.191 18 E C 1.068 177.093 176.600 -0.960 0.000 0.973 18 E CA 0.654 56.619 56.400 -0.724 0.000 0.829 18 E CB 0.307 29.446 29.700 -0.934 0.000 0.781 18 E HN 0.486 nan 8.360 nan 0.000 0.466 19 H N -1.560 117.101 119.070 -0.682 0.000 3.233 19 H HA 0.219 4.862 4.556 0.144 0.000 0.263 19 H C 1.808 176.848 175.328 -0.480 0.000 1.168 19 H CA 0.552 56.179 56.048 -0.702 0.000 1.159 19 H CB 0.513 29.532 29.762 -1.238 0.000 1.593 19 H HN 0.162 nan 8.280 nan 0.000 0.580 20 G N 1.148 109.668 108.800 -0.467 0.000 2.529 20 G HA2 -0.293 3.753 3.960 0.144 0.000 0.219 20 G HA3 -0.293 3.753 3.960 0.144 0.000 0.219 20 G C 1.654 176.479 174.900 -0.124 0.000 1.177 20 G CA 1.395 46.184 45.100 -0.519 0.000 0.773 20 G HN 0.299 nan 8.290 nan 0.000 0.573 21 S N 0.423 116.039 115.700 -0.141 0.000 2.481 21 S HA 0.001 4.557 4.470 0.144 0.000 0.231 21 S C 2.051 176.683 174.600 0.054 0.000 0.996 21 S CA 1.082 59.291 58.200 0.014 0.000 0.942 21 S CB -0.065 63.120 63.200 -0.025 0.000 0.768 21 S HN 0.613 nan 8.310 nan 0.000 0.520 22 E N 1.149 121.369 120.200 0.032 0.000 2.047 22 E HA -0.013 4.423 4.350 0.144 0.000 0.191 22 E C 0.084 176.757 176.600 0.122 0.000 0.987 22 E CA 0.315 56.748 56.400 0.056 0.000 0.799 22 E CB -0.284 29.441 29.700 0.042 0.000 0.752 22 E HN 0.425 nan 8.360 nan 0.000 0.449 23 L N 2.554 123.901 121.223 0.207 0.000 2.678 23 L HA -0.075 4.352 4.340 0.144 0.000 0.285 23 L C 0.398 177.403 176.870 0.226 0.000 1.233 23 L CA 0.285 55.288 54.840 0.272 0.000 0.920 23 L CB -0.235 42.071 42.059 0.412 0.000 1.176 23 L HN 0.167 nan 8.230 nan 0.000 0.495 24 N N 3.898 122.729 118.700 0.218 0.000 2.533 24 N HA 0.207 5.033 4.740 0.144 0.000 0.289 24 N C 0.642 176.283 175.510 0.218 0.000 1.103 24 N CA -0.473 52.695 53.050 0.196 0.000 0.877 24 N CB 1.471 40.057 38.487 0.166 0.000 1.419 24 N HN 0.538 nan 8.380 nan 0.000 0.517 25 L N 2.400 123.745 121.223 0.205 0.000 2.021 25 L HA -0.210 4.217 4.340 0.144 0.000 0.215 25 L C 2.574 179.633 176.870 0.316 0.000 1.074 25 L CA 1.530 56.524 54.840 0.257 0.000 0.760 25 L CB -0.262 41.941 42.059 0.240 0.000 0.889 25 L HN 0.563 nan 8.230 nan 0.000 0.433 26 R N -0.794 119.836 120.500 0.216 0.000 2.091 26 R HA -0.250 4.176 4.340 0.144 0.000 0.238 26 R C 2.469 178.897 176.300 0.214 0.000 1.136 26 R CA 1.922 58.131 56.100 0.181 0.000 0.959 26 R CB -0.286 30.083 30.300 0.116 0.000 0.856 26 R HN 0.399 nan 8.270 nan 0.000 0.437 27 H N 0.086 119.227 119.070 0.118 0.000 2.389 27 H HA -0.029 4.614 4.556 0.145 0.000 0.299 27 H C 1.842 177.220 175.328 0.083 0.000 1.081 27 H CA 1.817 57.919 56.048 0.090 0.000 1.345 27 H CB -0.131 29.675 29.762 0.073 0.000 1.393 27 H HN 0.166 nan 8.280 nan 0.000 0.520 28 L N -1.066 120.153 121.223 -0.006 0.000 2.046 28 L HA -0.148 4.278 4.340 0.144 0.000 0.208 28 L C 2.045 178.797 176.870 -0.196 0.000 1.077 28 L CA 1.214 55.960 54.840 -0.156 0.000 0.747 28 L CB -0.486 41.486 42.059 -0.145 0.000 0.896 28 L HN 0.248 nan 8.230 nan 0.000 0.432 29 F N 0.329 120.231 119.950 -0.080 0.000 2.163 29 F HA -0.185 4.427 4.527 0.142 0.000 0.297 29 F C 2.258 178.017 175.800 -0.068 0.000 1.094 29 F CA 1.203 59.166 58.000 -0.061 0.000 1.290 29 F CB -0.386 38.591 39.000 -0.040 0.000 1.017 29 F HN 0.095 nan 8.300 nan 0.000 0.483 30 D N -0.804 119.660 120.400 0.107 0.000 2.263 30 D HA -0.113 4.614 4.640 0.144 0.000 0.208 30 D C 1.978 178.256 176.300 -0.036 0.000 0.971 30 D CA 1.741 55.763 54.000 0.036 0.000 0.867 30 D CB -0.576 40.252 40.800 0.046 0.000 0.929 30 D HN 0.312 nan 8.370 nan 0.000 0.492 31 T N -2.899 111.577 114.554 -0.131 0.000 3.174 31 T HA 0.190 4.626 4.350 0.144 0.000 0.269 31 T C -0.157 174.486 174.700 -0.095 0.000 1.017 31 T CA -0.566 61.450 62.100 -0.140 0.000 0.899 31 T CB 0.429 69.131 68.868 -0.277 0.000 1.077 31 T HN -0.175 nan 8.240 nan 0.000 0.552 32 D N 1.329 121.683 120.400 -0.077 0.000 2.318 32 D HA 0.152 4.878 4.640 0.144 0.000 0.233 32 D C 0.928 177.197 176.300 -0.052 0.000 1.348 32 D CA -0.609 53.353 54.000 -0.063 0.000 0.983 32 D CB 1.188 41.941 40.800 -0.078 0.000 1.416 32 D HN 0.239 nan 8.370 nan 0.000 0.558 33 K N 1.538 121.922 120.400 -0.027 0.000 2.360 33 K HA -0.036 4.370 4.320 0.144 0.000 0.201 33 K C 0.472 177.052 176.600 -0.034 0.000 1.046 33 K CA 0.743 57.026 56.287 -0.005 0.000 0.945 33 K CB 0.331 32.830 32.500 -0.002 0.000 0.750 33 K HN 0.185 nan 8.250 nan 0.000 0.464 34 E N 1.291 121.412 120.200 -0.131 0.000 2.463 34 E HA 0.022 4.458 4.350 0.144 0.000 0.193 34 E C 1.469 177.879 176.600 -0.317 0.000 1.041 34 E CA -0.042 56.165 56.400 -0.321 0.000 0.879 34 E CB 0.311 29.606 29.700 -0.675 0.000 0.997 34 E HN 0.355 nan 8.360 nan 0.000 0.478 35 R N 0.210 120.641 120.500 -0.115 0.000 2.096 35 R HA -0.192 4.234 4.340 0.144 0.000 0.240 35 R C 2.098 178.460 176.300 0.103 0.000 1.139 35 R CA 1.478 57.555 56.100 -0.039 0.000 0.952 35 R CB -0.318 29.693 30.300 -0.481 0.000 0.854 35 R HN 0.145 nan 8.270 nan 0.000 0.436 36 F N 1.589 121.543 119.950 0.007 0.000 2.069 36 F HA -0.197 4.420 4.527 0.151 0.000 0.298 36 F C 1.620 177.432 175.800 0.019 0.000 1.113 36 F CA 2.224 60.262 58.000 0.063 0.000 1.214 36 F CB -0.641 38.414 39.000 0.092 0.000 0.978 36 F HN 0.136 nan 8.300 nan 0.000 0.474 37 N N -1.079 117.525 118.700 -0.160 0.000 2.104 37 N HA -0.236 4.590 4.740 0.144 0.000 0.190 37 N C 1.565 176.975 175.510 -0.166 0.000 1.024 37 N CA 1.580 54.486 53.050 -0.240 0.000 0.853 37 N CB -0.413 38.005 38.487 -0.116 0.000 1.008 37 N HN 0.529 nan 8.380 nan 0.000 0.424 38 H N -1.766 117.190 119.070 -0.191 0.000 2.512 38 H HA 0.047 4.687 4.556 0.139 0.000 0.279 38 H C 0.021 174.942 175.328 -0.679 0.000 0.999 38 H CA 0.278 56.105 56.048 -0.367 0.000 1.283 38 H CB 0.341 29.893 29.762 -0.350 0.000 1.421 38 H HN 0.160 nan 8.280 nan 0.000 0.554 39 F N 1.226 120.986 119.950 -0.318 0.000 2.831 39 F HA 0.255 4.871 4.527 0.149 0.000 0.355 39 F C -0.069 174.978 175.800 -1.256 0.000 1.341 39 F CA -0.537 56.992 58.000 -0.784 0.000 1.201 39 F CB 0.736 39.364 39.000 -0.620 0.000 1.058 39 F HN -0.055 nan 8.300 nan 0.000 0.514 40 S N 0.884 116.208 115.700 -0.627 0.000 2.565 40 S HA 0.883 5.439 4.470 0.144 0.000 0.269 40 S C -1.426 173.118 174.600 -0.093 0.000 1.153 40 S CA -0.918 57.062 58.200 -0.367 0.000 0.835 40 S CB 2.261 65.104 63.200 -0.594 0.000 1.122 40 S HN 0.260 nan 8.310 nan 0.000 0.462 41 L N -1.428 119.840 121.223 0.075 0.000 2.445 41 L HA 0.926 5.353 4.340 0.144 0.000 0.262 41 L C -0.770 176.176 176.870 0.126 0.000 0.974 41 L CA -0.536 54.370 54.840 0.109 0.000 0.822 41 L CB 1.541 43.712 42.059 0.187 0.000 1.339 41 L HN 0.666 nan 8.230 nan 0.000 0.409 42 T N 3.950 118.579 114.554 0.125 0.000 2.779 42 T HA 0.737 5.173 4.350 0.144 0.000 0.280 42 T C -0.324 174.476 174.700 0.166 0.000 0.987 42 T CA -0.220 61.979 62.100 0.165 0.000 0.966 42 T CB 0.988 69.966 68.868 0.183 0.000 0.933 42 T HN 0.559 nan 8.240 nan 0.000 0.442 43 L N 3.831 125.136 121.223 0.137 0.000 2.305 43 L HA 0.494 4.921 4.340 0.144 0.000 0.284 43 L C 0.417 177.210 176.870 -0.128 0.000 1.013 43 L CA -0.722 54.171 54.840 0.088 0.000 0.819 43 L CB 1.308 43.416 42.059 0.081 0.000 1.227 43 L HN 0.610 nan 8.230 nan 0.000 0.417 44 N N 1.156 119.750 118.700 -0.178 0.000 2.439 44 N HA 0.132 4.959 4.740 0.144 0.000 0.249 44 N C 0.771 176.064 175.510 -0.363 0.000 1.003 44 N CA -0.249 52.458 53.050 -0.573 0.000 0.942 44 N CB 1.106 39.354 38.487 -0.399 0.000 1.115 44 N HN 0.733 nan 8.380 nan 0.000 0.505 45 T N 0.487 114.655 114.554 -0.643 0.000 3.107 45 T HA 0.170 4.606 4.350 0.144 0.000 0.249 45 T C 0.576 174.960 174.700 -0.527 0.000 1.096 45 T CA 0.202 61.766 62.100 -0.893 0.000 1.012 45 T CB -0.399 67.839 68.868 -1.050 0.000 0.977 45 T HN 0.843 nan 8.240 nan 0.000 0.527 46 N N 0.070 118.490 118.700 -0.466 0.000 2.972 46 N HA -0.171 4.656 4.740 0.144 0.000 0.225 46 N C -0.329 174.696 175.510 -0.808 0.000 0.883 46 N CA 1.234 53.968 53.050 -0.527 0.000 1.010 46 N CB -1.146 37.038 38.487 -0.505 0.000 1.052 46 N HN 0.531 nan 8.380 nan 0.000 0.598 47 H N -0.402 118.381 119.070 -0.477 0.000 2.549 47 H HA 0.503 5.148 4.556 0.148 0.000 0.253 47 H C 0.917 176.074 175.328 -0.285 0.000 1.170 47 H CA 0.771 56.516 56.048 -0.506 0.000 0.943 47 H CB 0.693 29.784 29.762 -1.119 0.000 1.849 47 H HN 0.439 nan 8.280 nan 0.000 0.603 48 G N 0.487 109.211 108.800 -0.127 0.000 2.375 48 G HA2 -0.082 3.964 3.960 0.144 0.000 0.663 48 G HA3 -0.082 3.964 3.960 0.144 0.000 0.663 48 G C -1.720 173.155 174.900 -0.042 0.000 1.391 48 G CA -1.091 44.019 45.100 0.016 0.000 0.949 48 G HN 0.297 nan 8.290 nan 0.000 0.646 49 H N -0.864 118.198 119.070 -0.012 0.000 2.525 49 H HA 0.802 5.446 4.556 0.147 0.000 0.340 49 H C 0.413 175.775 175.328 0.057 0.000 1.168 49 H CA -0.338 55.708 56.048 -0.004 0.000 1.247 49 H CB 1.541 31.316 29.762 0.022 0.000 1.568 49 H HN 0.533 nan 8.280 nan 0.000 0.536 50 I N 2.710 123.371 120.570 0.153 0.000 2.468 50 I HA 0.117 4.373 4.170 0.144 0.000 0.285 50 I C -1.238 174.991 176.117 0.188 0.000 1.039 50 I CA -0.790 60.617 61.300 0.178 0.000 1.074 50 I CB 1.697 39.750 38.000 0.088 0.000 1.228 50 I HN 0.162 nan 8.210 nan 0.000 0.436 51 L N 8.196 129.548 121.223 0.216 0.000 2.265 51 L HA 0.514 4.940 4.340 0.144 0.000 0.289 51 L C -1.096 175.919 176.870 0.242 0.000 1.033 51 L CA -0.413 54.558 54.840 0.219 0.000 0.814 51 L CB 1.262 43.456 42.059 0.226 0.000 1.203 51 L HN 0.526 nan 8.230 nan 0.000 0.423 52 L N 5.426 126.789 121.223 0.233 0.000 2.272 52 L HA 0.490 4.916 4.340 0.144 0.000 0.284 52 L C -0.895 176.158 176.870 0.305 0.000 1.045 52 L CA 0.044 55.047 54.840 0.272 0.000 0.842 52 L CB 0.721 42.930 42.059 0.250 0.000 1.224 52 L HN 0.646 nan 8.230 nan 0.000 0.430 53 D N 3.783 124.372 120.400 0.315 0.000 2.412 53 D HA 0.162 4.888 4.640 0.144 0.000 0.224 53 D C -0.260 176.226 176.300 0.310 0.000 1.093 53 D CA -0.181 53.987 54.000 0.280 0.000 0.850 53 D CB 0.537 41.570 40.800 0.389 0.000 1.046 53 D HN 0.550 nan 8.370 nan 0.000 0.507 54 Y N 1.458 121.897 120.300 0.231 0.000 2.681 54 Y HA 0.234 4.864 4.550 0.132 0.000 0.267 54 Y C 1.531 177.578 175.900 0.244 0.000 1.166 54 Y CA -0.271 57.970 58.100 0.235 0.000 1.209 54 Y CB -0.355 38.234 38.460 0.215 0.000 1.161 54 Y HN 0.201 nan 8.280 nan 0.000 0.534 55 S N 0.371 116.109 115.700 0.063 0.000 2.423 55 S HA -0.089 4.467 4.470 0.144 0.000 0.231 55 S C 1.120 175.831 174.600 0.184 0.000 1.014 55 S CA 0.507 58.727 58.200 0.034 0.000 0.965 55 S CB -0.317 62.981 63.200 0.164 0.000 0.785 55 S HN 0.523 nan 8.310 nan 0.000 0.495 56 K N 1.912 122.506 120.400 0.323 0.000 2.745 56 K HA 0.257 4.663 4.320 0.144 0.000 0.223 56 K C -0.387 176.365 176.600 0.253 0.000 1.057 56 K CA -0.152 56.332 56.287 0.328 0.000 1.217 56 K CB -0.169 32.424 32.500 0.154 0.000 0.993 56 K HN 0.360 nan 8.250 nan 0.000 0.478 57 N N 0.862 119.712 118.700 0.250 0.000 2.430 57 N HA 0.233 5.059 4.740 0.144 0.000 0.298 57 N C -0.177 175.505 175.510 0.287 0.000 1.130 57 N CA -0.523 52.734 53.050 0.345 0.000 0.894 57 N CB 1.458 40.200 38.487 0.424 0.000 1.209 57 N HN 0.035 nan 8.380 nan 0.000 0.503 58 L N 2.080 123.567 121.223 0.440 0.000 2.416 58 L HA 0.143 4.569 4.340 0.144 0.000 0.243 58 L C -0.040 177.121 176.870 0.486 0.000 1.373 58 L CA -0.319 54.790 54.840 0.448 0.000 1.227 58 L CB -0.787 41.584 42.059 0.519 0.000 1.428 58 L HN 0.208 nan 8.230 nan 0.000 0.425 59 V N -1.848 118.167 119.914 0.169 0.000 3.114 59 V HA 0.838 5.044 4.120 0.144 0.000 0.308 59 V C -0.102 175.934 176.094 -0.097 0.000 1.168 59 V CA -0.521 61.776 62.300 -0.005 0.000 1.015 59 V CB 2.015 33.781 31.823 -0.094 0.000 1.050 59 V HN 0.321 nan 8.190 nan 0.000 0.433 60 T N -1.125 113.403 114.554 -0.044 0.000 2.910 60 T HA 0.592 5.028 4.350 0.144 0.000 0.287 60 T C 0.626 175.436 174.700 0.183 0.000 1.050 60 T CA 0.028 62.154 62.100 0.044 0.000 1.011 60 T CB 2.015 70.908 68.868 0.042 0.000 1.195 60 T HN 0.726 nan 8.240 nan 0.000 0.540 61 E N 0.161 120.515 120.200 0.257 0.000 2.118 61 E HA -0.162 4.274 4.350 0.144 0.000 0.195 61 E C 1.936 178.501 176.600 -0.058 0.000 0.992 61 E CA 1.538 58.013 56.400 0.125 0.000 0.804 61 E CB -0.054 29.638 29.700 -0.013 0.000 0.741 61 E HN 0.840 nan 8.360 nan 0.000 0.458 62 E N 0.240 120.325 120.200 -0.193 0.000 2.077 62 E HA -0.175 4.261 4.350 0.144 0.000 0.193 62 E C 1.951 178.311 176.600 -0.399 0.000 0.989 62 E CA 1.165 57.369 56.400 -0.327 0.000 0.800 62 E CB 0.176 29.692 29.700 -0.306 0.000 0.746 62 E HN 0.094 nan 8.360 nan 0.000 0.452 63 V N 1.156 120.767 119.914 -0.506 0.000 2.343 63 V HA -0.280 3.927 4.120 0.144 0.000 0.247 63 V C 2.476 178.300 176.094 -0.449 0.000 1.051 63 V CA 1.476 63.354 62.300 -0.704 0.000 1.036 63 V CB -0.409 30.915 31.823 -0.832 0.000 0.654 63 V HN 0.401 nan 8.190 nan 0.000 0.451 64 M N -0.678 118.801 119.600 -0.201 0.000 2.159 64 M HA -0.155 4.411 4.480 0.144 0.000 0.263 64 M C 2.156 178.398 176.300 -0.096 0.000 1.063 64 M CA 1.791 57.027 55.300 -0.107 0.000 1.110 64 M CB -1.472 31.158 32.600 0.050 0.000 1.374 64 M HN 0.416 nan 8.290 nan 0.000 0.411 65 H N -0.199 118.752 119.070 -0.198 0.000 2.321 65 H HA -0.025 4.619 4.556 0.146 0.000 0.300 65 H C 2.121 177.348 175.328 -0.167 0.000 1.087 65 H CA 1.793 57.741 56.048 -0.166 0.000 1.319 65 H CB -0.352 29.318 29.762 -0.153 0.000 1.379 65 H HN 0.300 nan 8.280 nan 0.000 0.501 66 M N -0.400 119.147 119.600 -0.088 0.000 2.213 66 M HA -0.138 4.428 4.480 0.144 0.000 0.263 66 M C 1.995 178.232 176.300 -0.105 0.000 1.062 66 M CA 1.249 56.481 55.300 -0.115 0.000 1.105 66 M CB -0.175 32.309 32.600 -0.192 0.000 1.385 66 M HN 0.201 nan 8.290 nan 0.000 0.417 67 L N -0.220 120.908 121.223 -0.158 0.000 2.093 67 L HA -0.177 4.249 4.340 0.144 0.000 0.208 67 L C 2.261 179.072 176.870 -0.097 0.000 1.085 67 L CA 0.968 55.734 54.840 -0.124 0.000 0.755 67 L CB -0.474 41.472 42.059 -0.188 0.000 0.904 67 L HN 0.341 nan 8.230 nan 0.000 0.435 68 L N -0.809 120.340 121.223 -0.123 0.000 2.109 68 L HA -0.158 4.269 4.340 0.144 0.000 0.207 68 L C 2.119 178.934 176.870 -0.093 0.000 1.086 68 L CA 0.734 55.502 54.840 -0.121 0.000 0.760 68 L CB -0.558 41.396 42.059 -0.174 0.000 0.910 68 L HN 0.226 nan 8.230 nan 0.000 0.437 69 D N 0.258 120.611 120.400 -0.078 0.000 2.144 69 D HA -0.183 4.544 4.640 0.144 0.000 0.199 69 D C 2.048 178.331 176.300 -0.028 0.000 0.984 69 D CA 1.047 55.018 54.000 -0.049 0.000 0.834 69 D CB -0.104 40.678 40.800 -0.030 0.000 0.955 69 D HN 0.117 nan 8.370 nan 0.000 0.465 70 L N 0.977 122.190 121.223 -0.016 0.000 2.017 70 L HA -0.069 4.357 4.340 0.144 0.000 0.208 70 L C 2.111 178.969 176.870 -0.019 0.000 1.073 70 L CA 1.910 56.758 54.840 0.013 0.000 0.745 70 L CB -0.900 41.193 42.059 0.057 0.000 0.894 70 L HN -0.016 nan 8.230 nan 0.000 0.432 71 A N -0.791 122.003 122.820 -0.044 0.000 1.940 71 A HA -0.245 4.162 4.320 0.144 0.000 0.219 71 A C 2.457 180.009 177.584 -0.053 0.000 1.176 71 A CA 1.969 53.971 52.037 -0.060 0.000 0.631 71 A CB -0.607 18.355 19.000 -0.064 0.000 0.814 71 A HN 0.482 nan 8.150 nan 0.000 0.446 72 K N 0.105 120.475 120.400 -0.051 0.000 2.001 72 K HA -0.124 4.282 4.320 0.144 0.000 0.208 72 K C 2.389 178.968 176.600 -0.036 0.000 1.048 72 K CA 1.685 57.942 56.287 -0.049 0.000 0.932 72 K CB -0.270 32.197 32.500 -0.055 0.000 0.715 72 K HN 0.632 nan 8.250 nan 0.000 0.437 73 S N 0.511 116.196 115.700 -0.025 0.000 2.474 73 S HA -0.033 4.523 4.470 0.144 0.000 0.235 73 S C 1.557 176.148 174.600 -0.015 0.000 0.997 73 S CA 0.571 58.764 58.200 -0.013 0.000 0.949 73 S CB -0.055 63.148 63.200 0.004 0.000 0.766 73 S HN 0.169 nan 8.310 nan 0.000 0.517 74 R N 0.996 121.479 120.500 -0.028 0.000 2.317 74 R HA 0.252 4.678 4.340 0.144 0.000 0.208 74 R C 1.435 177.712 176.300 -0.039 0.000 0.914 74 R CA 0.464 56.540 56.100 -0.040 0.000 1.060 74 R CB -0.897 29.361 30.300 -0.069 0.000 1.015 74 R HN 0.637 nan 8.270 nan 0.000 0.498 75 G N 0.963 109.744 108.800 -0.031 0.000 2.246 75 G HA2 -0.260 3.786 3.960 0.144 0.000 0.273 75 G HA3 -0.260 3.786 3.960 0.144 0.000 0.273 75 G C 0.923 175.812 174.900 -0.018 0.000 1.055 75 G CA 0.413 45.499 45.100 -0.023 0.000 0.851 75 G HN 0.202 nan 8.290 nan 0.000 0.500 76 V N -0.361 119.536 119.914 -0.029 0.000 2.332 76 V HA -0.215 3.991 4.120 0.144 0.000 0.248 76 V C 2.637 178.755 176.094 0.041 0.000 1.055 76 V CA 2.926 65.225 62.300 -0.002 0.000 1.038 76 V CB -0.428 31.395 31.823 0.000 0.000 0.651 76 V HN 0.690 nan 8.190 nan 0.000 0.450 77 E N 0.179 120.364 120.200 -0.025 0.000 2.051 77 E HA -0.180 4.256 4.350 0.144 0.000 0.192 77 E C 2.339 178.909 176.600 -0.050 0.000 0.991 77 E CA 1.324 57.676 56.400 -0.079 0.000 0.799 77 E CB -0.390 29.241 29.700 -0.114 0.000 0.748 77 E HN 0.592 nan 8.360 nan 0.000 0.449 78 A N 1.368 124.174 122.820 -0.023 0.000 1.933 78 A HA -0.124 4.282 4.320 0.144 0.000 0.218 78 A C 2.360 179.976 177.584 0.053 0.000 1.175 78 A CA 1.667 53.700 52.037 -0.006 0.000 0.628 78 A CB -0.618 18.379 19.000 -0.005 0.000 0.814 78 A HN 0.296 nan 8.150 nan 0.000 0.444 79 A N -0.249 122.639 122.820 0.113 0.000 1.902 79 A HA -0.159 4.247 4.320 0.144 0.000 0.217 79 A C 2.256 180.097 177.584 0.430 0.000 1.181 79 A CA 1.679 53.868 52.037 0.253 0.000 0.623 79 A CB -0.514 18.612 19.000 0.209 0.000 0.818 79 A HN 0.564 nan 8.150 nan 0.000 0.443 80 R N -0.436 120.294 120.500 0.383 0.000 2.073 80 R HA -0.167 4.259 4.340 0.144 0.000 0.234 80 R C 1.902 178.255 176.300 0.090 0.000 1.134 80 R CA 1.729 57.966 56.100 0.229 0.000 0.952 80 R CB -0.258 29.973 30.300 -0.115 0.000 0.850 80 R HN 0.441 nan 8.270 nan 0.000 0.433 81 E N 0.451 120.640 120.200 -0.017 0.000 2.085 81 E HA -0.136 4.300 4.350 0.144 0.000 0.194 81 E C 2.069 178.676 176.600 0.011 0.000 0.994 81 E CA 1.419 57.790 56.400 -0.049 0.000 0.801 81 E CB -0.355 29.290 29.700 -0.093 0.000 0.743 81 E HN 0.279 nan 8.360 nan 0.000 0.453 82 S N 0.875 116.595 115.700 0.033 0.000 2.383 82 S HA -0.160 4.396 4.470 0.144 0.000 0.229 82 S C 1.883 176.468 174.600 -0.025 0.000 1.030 82 S CA 1.421 59.631 58.200 0.017 0.000 1.002 82 S CB -0.191 63.043 63.200 0.056 0.000 0.829 82 S HN 0.300 nan 8.310 nan 0.000 0.467 83 M N 0.095 119.677 119.600 -0.031 0.000 2.077 83 M HA -0.053 4.513 4.480 0.144 0.000 0.261 83 M C 1.474 177.594 176.300 -0.300 0.000 1.070 83 M CA 1.678 56.844 55.300 -0.223 0.000 1.125 83 M CB -0.243 32.108 32.600 -0.414 0.000 1.339 83 M HN 0.252 nan 8.290 nan 0.000 0.409 84 F N 1.125 120.901 119.950 -0.290 0.000 2.269 84 F HA -0.159 4.456 4.527 0.146 0.000 0.301 84 F C 1.778 177.430 175.800 -0.247 0.000 1.082 84 F CA 1.094 58.928 58.000 -0.277 0.000 1.360 84 F CB -0.605 38.242 39.000 -0.255 0.000 1.041 84 F HN 0.318 nan 8.300 nan 0.000 0.512 85 N N -0.190 118.482 118.700 -0.046 0.000 2.398 85 N HA 0.087 4.913 4.740 0.144 0.000 0.188 85 N C 1.655 177.071 175.510 -0.157 0.000 1.122 85 N CA 0.966 53.961 53.050 -0.092 0.000 0.866 85 N CB 0.072 38.519 38.487 -0.068 0.000 0.970 85 N HN 0.296 nan 8.380 nan 0.000 0.462 86 G N 0.804 109.466 108.800 -0.230 0.000 2.148 86 G HA2 -0.294 3.752 3.960 0.144 0.000 0.254 86 G HA3 -0.294 3.752 3.960 0.144 0.000 0.254 86 G C -0.082 174.704 174.900 -0.191 0.000 0.981 86 G CA -0.019 44.908 45.100 -0.289 0.000 0.670 86 G HN 0.411 nan 8.290 nan 0.000 0.528 87 E N 0.311 120.435 120.200 -0.128 0.000 2.404 87 E HA 0.283 4.720 4.350 0.144 0.000 0.261 87 E C 0.414 176.983 176.600 -0.052 0.000 1.074 87 E CA -0.315 56.045 56.400 -0.067 0.000 0.917 87 E CB 0.385 30.066 29.700 -0.033 0.000 0.965 87 E HN 0.041 nan 8.360 nan 0.000 0.433 88 K N 3.507 123.902 120.400 -0.008 0.000 2.449 88 K HA 0.042 4.448 4.320 0.144 0.000 0.237 88 K C 0.972 177.608 176.600 0.059 0.000 1.265 88 K CA 0.214 56.519 56.287 0.029 0.000 1.193 88 K CB -0.848 31.684 32.500 0.053 0.000 1.515 88 K HN 0.535 nan 8.250 nan 0.000 0.259 89 I N -2.652 117.949 120.570 0.052 0.000 2.830 89 I HA -0.109 4.147 4.170 0.144 0.000 0.263 89 I C 0.695 176.926 176.117 0.189 0.000 1.230 89 I CA 0.624 61.997 61.300 0.121 0.000 1.480 89 I CB -0.217 37.875 38.000 0.153 0.000 1.095 89 I HN 0.212 nan 8.210 nan 0.000 0.455 90 N N 2.146 120.948 118.700 0.170 0.000 3.050 90 N HA 0.020 4.846 4.740 0.144 0.000 0.289 90 N C 1.480 177.115 175.510 0.209 0.000 1.209 90 N CA 0.365 53.561 53.050 0.244 0.000 1.154 90 N CB 0.405 39.026 38.487 0.223 0.000 1.444 90 N HN 0.437 nan 8.380 nan 0.000 0.529 91 S N 0.659 116.477 115.700 0.197 0.000 2.365 91 S HA -0.286 4.271 4.470 0.144 0.000 0.225 91 S C 2.117 176.829 174.600 0.186 0.000 1.039 91 S CA 2.050 60.349 58.200 0.165 0.000 1.033 91 S CB -1.119 62.164 63.200 0.139 0.000 0.887 91 S HN 0.668 nan 8.310 nan 0.000 0.447 92 T N 0.007 114.709 114.554 0.246 0.000 2.849 92 T HA -0.047 4.389 4.350 0.144 0.000 0.270 92 T C 1.426 176.357 174.700 0.385 0.000 1.066 92 T CA 1.480 63.768 62.100 0.313 0.000 1.130 92 T CB -0.521 68.657 68.868 0.516 0.000 0.864 92 T HN 0.668 nan 8.240 nan 0.000 0.481 93 E N 0.481 120.889 120.200 0.347 0.000 2.498 93 E HA 0.144 4.580 4.350 0.144 0.000 0.203 93 E C -0.129 176.593 176.600 0.205 0.000 1.013 93 E CA -0.053 56.529 56.400 0.303 0.000 0.927 93 E CB 0.209 30.043 29.700 0.223 0.000 1.012 93 E HN 0.435 nan 8.360 nan 0.000 0.482 94 D N 1.757 122.265 120.400 0.180 0.000 2.735 94 D HA -0.206 4.520 4.640 0.144 0.000 0.235 94 D C -0.863 175.517 176.300 0.133 0.000 1.175 94 D CA 0.915 54.998 54.000 0.137 0.000 0.683 94 D CB -0.576 40.294 40.800 0.115 0.000 1.008 94 D HN 0.152 nan 8.370 nan 0.000 0.416 95 R N -0.367 120.219 120.500 0.143 0.000 2.867 95 R HA 0.867 5.293 4.340 0.144 0.000 0.268 95 R C -0.231 176.141 176.300 0.120 0.000 1.014 95 R CA -0.571 55.621 56.100 0.153 0.000 0.946 95 R CB 1.485 31.891 30.300 0.177 0.000 1.208 95 R HN 0.122 nan 8.270 nan 0.000 0.477 96 A N 0.819 123.719 122.820 0.134 0.000 2.271 96 A HA 0.553 4.960 4.320 0.144 0.000 0.288 96 A C -0.510 177.080 177.584 0.009 0.000 1.094 96 A CA -0.459 51.580 52.037 0.004 0.000 0.828 96 A CB 0.938 19.857 19.000 -0.135 0.000 1.091 96 A HN 0.338 nan 8.150 nan 0.000 0.493 97 V N 1.833 121.618 119.914 -0.214 0.000 2.289 97 V HA 0.275 4.481 4.120 0.144 0.000 0.272 97 V C -0.392 175.408 176.094 -0.489 0.000 1.026 97 V CA 0.169 62.242 62.300 -0.378 0.000 0.807 97 V CB 0.339 31.623 31.823 -0.898 0.000 1.044 97 V HN 0.687 nan 8.190 nan 0.000 0.443 98 L N 4.819 125.895 121.223 -0.245 0.000 3.096 98 L HA 0.331 4.757 4.340 0.144 0.000 0.272 98 L C 1.703 178.490 176.870 -0.139 0.000 1.311 98 L CA -0.304 54.276 54.840 -0.432 0.000 0.943 98 L CB 0.047 41.566 42.059 -0.901 0.000 1.348 98 L HN 0.757 nan 8.230 nan 0.000 0.562 99 H N -0.674 118.376 119.070 -0.033 0.000 2.521 99 H HA -0.057 4.584 4.556 0.142 0.000 0.286 99 H C 1.885 177.137 175.328 -0.127 0.000 1.034 99 H CA 1.461 57.550 56.048 0.069 0.000 1.278 99 H CB -0.379 29.448 29.762 0.109 0.000 1.386 99 H HN 0.467 nan 8.280 nan 0.000 0.567 100 V N -0.792 118.826 119.914 -0.492 0.000 2.809 100 V HA 0.075 4.281 4.120 0.144 0.000 0.256 100 V C 2.697 178.659 176.094 -0.220 0.000 1.080 100 V CA 1.066 63.119 62.300 -0.411 0.000 1.102 100 V CB -0.917 30.442 31.823 -0.773 0.000 0.705 100 V HN 0.442 nan 8.190 nan 0.000 0.475 101 A N 0.770 123.459 122.820 -0.217 0.000 1.968 101 A HA 0.120 4.527 4.320 0.144 0.000 0.217 101 A C 2.165 179.774 177.584 0.042 0.000 1.169 101 A CA 1.557 53.514 52.037 -0.134 0.000 0.638 101 A CB -0.573 18.242 19.000 -0.308 0.000 0.812 101 A HN 0.561 nan 8.150 nan 0.000 0.446 102 L N -0.195 121.131 121.223 0.171 0.000 2.187 102 L HA -0.157 4.269 4.340 0.144 0.000 0.213 102 L C 2.318 179.290 176.870 0.170 0.000 1.100 102 L CA 1.547 56.559 54.840 0.286 0.000 0.765 102 L CB -0.354 41.955 42.059 0.418 0.000 0.904 102 L HN 0.553 nan 8.230 nan 0.000 0.437 103 R N -0.655 119.865 120.500 0.034 0.000 2.613 103 R HA 0.097 4.523 4.340 0.144 0.000 0.361 103 R C 0.112 176.358 176.300 -0.090 0.000 1.072 103 R CA -0.215 55.866 56.100 -0.031 0.000 1.089 103 R CB -0.694 29.522 30.300 -0.140 0.000 1.343 103 R HN 0.043 nan 8.270 nan 0.000 0.571 104 N N 2.210 120.861 118.700 -0.082 0.000 2.671 104 N HA 0.046 4.872 4.740 0.144 0.000 0.274 104 N C 0.290 175.606 175.510 -0.322 0.000 1.188 104 N CA -0.158 52.779 53.050 -0.189 0.000 1.065 104 N CB 0.456 38.915 38.487 -0.047 0.000 1.415 104 N HN 0.194 nan 8.380 nan 0.000 0.511 105 R N 0.803 120.928 120.500 -0.625 0.000 2.307 105 R HA 0.073 4.499 4.340 0.144 0.000 0.199 105 R C 0.824 176.985 176.300 -0.231 0.000 1.000 105 R CA 0.351 56.254 56.100 -0.328 0.000 1.023 105 R CB 0.200 30.360 30.300 -0.234 0.000 0.908 105 R HN 0.379 nan 8.270 nan 0.000 0.473 106 S N 0.947 116.477 115.700 -0.284 0.000 2.496 106 S HA 0.005 4.562 4.470 0.144 0.000 0.224 106 S C 0.443 175.025 174.600 -0.029 0.000 0.996 106 S CA 0.015 58.188 58.200 -0.045 0.000 0.927 106 S CB 0.034 63.295 63.200 0.102 0.000 0.774 106 S HN 0.361 nan 8.310 nan 0.000 0.524 107 N N 1.449 120.113 118.700 -0.058 0.000 2.714 107 N HA -0.125 4.701 4.740 0.144 0.000 0.250 107 N C -0.690 174.807 175.510 -0.021 0.000 1.117 107 N CA 0.855 53.886 53.050 -0.031 0.000 0.719 107 N CB -1.928 36.552 38.487 -0.012 0.000 1.081 107 N HN 0.325 nan 8.380 nan 0.000 0.557 108 T N 2.083 116.629 114.554 -0.013 0.000 2.888 108 T HA 0.194 4.630 4.350 0.144 0.000 0.301 108 T C -2.044 172.634 174.700 -0.037 0.000 1.001 108 T CA -0.441 61.650 62.100 -0.015 0.000 1.147 108 T CB 0.893 69.759 68.868 -0.002 0.000 0.931 108 T HN 0.011 nan 8.240 nan 0.000 0.541 109 P HA 0.165 nan 4.420 nan 0.000 0.264 109 P C -0.603 176.644 177.300 -0.087 0.000 1.183 109 P CA 0.258 63.321 63.100 -0.062 0.000 0.763 109 P CB 0.262 31.931 31.700 -0.052 0.000 0.807 110 I N 2.877 123.372 120.570 -0.125 0.000 2.542 110 I HA 0.178 4.434 4.170 0.144 0.000 0.278 110 I C -0.169 175.827 176.117 -0.202 0.000 1.069 110 I CA -1.033 60.159 61.300 -0.180 0.000 1.100 110 I CB 1.686 39.532 38.000 -0.255 0.000 1.204 110 I HN 0.082 nan 8.210 nan 0.000 0.470 111 V N 6.700 126.519 119.914 -0.159 0.000 2.465 111 V HA 0.595 4.801 4.120 0.144 0.000 0.279 111 V C -0.548 175.453 176.094 -0.156 0.000 1.045 111 V CA -0.059 62.159 62.300 -0.137 0.000 0.938 111 V CB 1.815 33.586 31.823 -0.087 0.000 0.986 111 V HN 0.374 nan 8.190 nan 0.000 0.467 112 V N 6.441 126.272 119.914 -0.139 0.000 2.350 112 V HA 0.385 4.591 4.120 0.144 0.000 0.285 112 V C -0.160 175.913 176.094 -0.035 0.000 1.014 112 V CA 0.061 62.293 62.300 -0.113 0.000 0.831 112 V CB 0.909 32.653 31.823 -0.132 0.000 1.000 112 V HN 1.314 nan 8.190 nan 0.000 0.433 113 D N 3.500 123.885 120.400 -0.026 0.000 2.720 113 D HA -0.091 4.635 4.640 0.144 0.000 0.229 113 D C 0.951 177.250 176.300 -0.002 0.000 1.198 113 D CA 1.555 55.553 54.000 -0.004 0.000 0.639 113 D CB -1.268 39.544 40.800 0.020 0.000 1.003 113 D HN 1.277 nan 8.370 nan 0.000 0.411 114 G N -0.865 107.925 108.800 -0.016 0.000 2.796 114 G HA2 -0.176 3.870 3.960 0.144 0.000 0.198 114 G HA3 -0.176 3.870 3.960 0.144 0.000 0.198 114 G C -0.041 174.848 174.900 -0.018 0.000 1.062 114 G CA -0.091 45.002 45.100 -0.011 0.000 0.752 114 G HN 0.721 nan 8.290 nan 0.000 0.487 115 K N 0.624 121.011 120.400 -0.023 0.000 2.443 115 K HA 0.561 4.968 4.320 0.144 0.000 0.251 115 K C -1.780 174.786 176.600 -0.056 0.000 0.972 115 K CA -0.988 55.281 56.287 -0.030 0.000 0.833 115 K CB 2.362 34.854 32.500 -0.013 0.000 1.317 115 K HN 0.054 nan 8.250 nan 0.000 0.441 116 D N 1.475 121.841 120.400 -0.058 0.000 2.425 116 D HA 0.013 4.739 4.640 0.144 0.000 0.247 116 D C 0.930 177.174 176.300 -0.092 0.000 1.147 116 D CA -0.304 53.647 54.000 -0.082 0.000 0.879 116 D CB 1.459 42.222 40.800 -0.060 0.000 1.179 116 D HN 0.395 nan 8.370 nan 0.000 0.456 117 V N 1.976 121.804 119.914 -0.144 0.000 3.052 117 V HA -0.074 4.132 4.120 0.144 0.000 0.254 117 V C 2.097 178.105 176.094 -0.144 0.000 1.100 117 V CA 0.190 62.394 62.300 -0.159 0.000 1.112 117 V CB -0.457 31.239 31.823 -0.212 0.000 0.738 117 V HN 0.414 nan 8.190 nan 0.000 0.469 118 M N 0.903 120.441 119.600 -0.104 0.000 2.106 118 M HA -0.056 4.511 4.480 0.144 0.000 0.259 118 M C 0.250 176.544 176.300 -0.010 0.000 1.068 118 M CA 1.825 57.095 55.300 -0.050 0.000 1.100 118 M CB -2.782 29.794 32.600 -0.040 0.000 1.351 118 M HN 0.328 nan 8.290 nan 0.000 0.404 119 P HA -0.152 nan 4.420 nan 0.000 0.216 119 P C 1.431 178.764 177.300 0.055 0.000 1.153 119 P CA 1.211 64.325 63.100 0.024 0.000 0.858 119 P CB -0.091 31.618 31.700 0.014 0.000 0.789 120 E N -0.777 119.433 120.200 0.018 0.000 2.107 120 E HA -0.066 4.370 4.350 0.144 0.000 0.191 120 E C 2.141 178.862 176.600 0.201 0.000 0.982 120 E CA 0.758 57.217 56.400 0.099 0.000 0.809 120 E CB -1.021 28.666 29.700 -0.020 0.000 0.756 120 E HN 0.101 nan 8.360 nan 0.000 0.459 121 V N 2.723 122.658 119.914 0.036 0.000 2.261 121 V HA -0.249 3.958 4.120 0.144 0.000 0.246 121 V C 1.910 178.188 176.094 0.307 0.000 1.047 121 V CA 1.785 64.226 62.300 0.235 0.000 1.015 121 V CB -0.506 31.403 31.823 0.144 0.000 0.642 121 V HN 0.228 nan 8.190 nan 0.000 0.446 122 N N -0.093 118.727 118.700 0.200 0.000 2.309 122 N HA -0.150 4.677 4.740 0.144 0.000 0.182 122 N C 1.804 177.434 175.510 0.200 0.000 1.018 122 N CA 1.068 54.236 53.050 0.197 0.000 0.876 122 N CB -0.221 38.346 38.487 0.133 0.000 0.972 122 N HN 0.524 nan 8.380 nan 0.000 0.434 123 K N 0.960 121.478 120.400 0.197 0.000 2.057 123 K HA -0.002 4.404 4.320 0.144 0.000 0.206 123 K C 1.769 178.493 176.600 0.206 0.000 1.050 123 K CA 0.660 57.051 56.287 0.173 0.000 0.935 123 K CB 0.159 32.754 32.500 0.159 0.000 0.715 123 K HN -0.140 nan 8.250 nan 0.000 0.439 124 V N 1.667 121.758 119.914 0.296 0.000 2.358 124 V HA -0.229 3.977 4.120 0.144 0.000 0.246 124 V C 2.265 178.549 176.094 0.317 0.000 1.047 124 V CA 1.430 63.912 62.300 0.304 0.000 1.035 124 V CB -0.334 31.717 31.823 0.380 0.000 0.658 124 V HN 0.321 nan 8.190 nan 0.000 0.452 125 L N -0.191 121.243 121.223 0.351 0.000 2.012 125 L HA -0.210 4.216 4.340 0.144 0.000 0.210 125 L C 2.450 179.457 176.870 0.228 0.000 1.073 125 L CA 1.732 56.826 54.840 0.423 0.000 0.748 125 L CB -0.752 41.595 42.059 0.480 0.000 0.891 125 L HN 0.357 nan 8.230 nan 0.000 0.431 126 D N -0.067 120.421 120.400 0.148 0.000 2.117 126 D HA -0.221 4.505 4.640 0.144 0.000 0.197 126 D C 2.075 178.382 176.300 0.012 0.000 0.987 126 D CA 1.208 55.224 54.000 0.026 0.000 0.829 126 D CB -0.090 40.747 40.800 0.060 0.000 0.961 126 D HN 0.246 nan 8.370 nan 0.000 0.460 127 K N 0.189 120.653 120.400 0.106 0.000 2.063 127 K HA -0.120 4.287 4.320 0.144 0.000 0.208 127 K C 2.225 179.006 176.600 0.301 0.000 1.048 127 K CA 0.944 57.321 56.287 0.150 0.000 0.928 127 K CB -0.036 32.519 32.500 0.093 0.000 0.713 127 K HN 0.055 nan 8.250 nan 0.000 0.442 128 M N 0.632 120.409 119.600 0.295 0.000 2.067 128 M HA -0.193 4.373 4.480 0.144 0.000 0.260 128 M C 2.387 178.666 176.300 -0.034 0.000 1.069 128 M CA 1.787 57.210 55.300 0.205 0.000 1.117 128 M CB -0.284 32.433 32.600 0.196 0.000 1.334 128 M HN 0.091 nan 8.290 nan 0.000 0.407 129 K N 0.587 120.643 120.400 -0.573 0.000 2.032 129 K HA -0.168 4.239 4.320 0.144 0.000 0.209 129 K C 1.966 178.406 176.600 -0.267 0.000 1.048 129 K CA 1.643 57.387 56.287 -0.905 0.000 0.927 129 K CB -0.176 31.468 32.500 -1.426 0.000 0.712 129 K HN 0.288 nan 8.250 nan 0.000 0.441 130 A N 0.574 123.326 122.820 -0.114 0.000 1.940 130 A HA -0.184 4.223 4.320 0.144 0.000 0.219 130 A C 2.006 179.658 177.584 0.112 0.000 1.176 130 A CA 1.494 53.542 52.037 0.018 0.000 0.631 130 A CB -0.787 18.253 19.000 0.067 0.000 0.814 130 A HN 0.547 nan 8.150 nan 0.000 0.446 131 F N 0.151 120.126 119.950 0.043 0.000 2.128 131 F HA -0.163 4.450 4.527 0.143 0.000 0.295 131 F C 2.474 178.255 175.800 -0.031 0.000 1.100 131 F CA 1.459 59.501 58.000 0.071 0.000 1.260 131 F CB -0.667 38.447 39.000 0.189 0.000 1.009 131 F HN 0.286 nan 8.300 nan 0.000 0.476 132 C N 0.478 119.756 119.300 -0.036 0.000 2.413 132 C HA -0.192 4.354 4.460 0.144 0.000 0.277 132 C C 2.806 177.710 174.990 -0.143 0.000 1.265 132 C CA 1.074 60.015 59.018 -0.128 0.000 1.752 132 C CB -1.099 26.656 27.740 0.024 0.000 1.998 132 C HN 0.538 nan 8.230 nan 0.000 0.489 133 Q N 0.867 120.616 119.800 -0.085 0.000 2.061 133 Q HA -0.146 4.280 4.340 0.144 0.000 0.204 133 Q C 2.428 178.392 176.000 -0.060 0.000 0.984 133 Q CA 1.646 57.419 55.803 -0.050 0.000 0.846 133 Q CB -0.344 28.379 28.738 -0.025 0.000 0.902 133 Q HN 0.654 nan 8.270 nan 0.000 0.421 134 R N -0.649 119.807 120.500 -0.073 0.000 2.096 134 R HA -0.079 4.347 4.340 0.144 0.000 0.235 134 R C 2.382 178.650 176.300 -0.052 0.000 1.127 134 R CA 1.316 57.407 56.100 -0.015 0.000 0.968 134 R CB -0.215 30.144 30.300 0.097 0.000 0.861 134 R HN 0.098 nan 8.270 nan 0.000 0.440 135 V N 1.035 120.785 119.914 -0.273 0.000 2.323 135 V HA -0.166 4.040 4.120 0.144 0.000 0.244 135 V C 2.167 178.184 176.094 -0.129 0.000 1.041 135 V CA 1.547 63.674 62.300 -0.288 0.000 1.025 135 V CB -0.400 31.066 31.823 -0.596 0.000 0.656 135 V HN 0.276 nan 8.190 nan 0.000 0.451 136 R N 0.880 121.311 120.500 -0.115 0.000 2.280 136 R HA -0.021 4.405 4.340 0.144 0.000 0.207 136 R C 2.176 178.463 176.300 -0.021 0.000 1.043 136 R CA 1.305 57.374 56.100 -0.052 0.000 1.006 136 R CB -0.328 29.949 30.300 -0.038 0.000 0.885 136 R HN 0.687 nan 8.270 nan 0.000 0.467 137 S N -1.364 114.327 115.700 -0.016 0.000 2.535 137 S HA 0.176 4.732 4.470 0.144 0.000 0.214 137 S C 1.415 176.024 174.600 0.014 0.000 0.980 137 S CA 0.357 58.558 58.200 0.002 0.000 0.907 137 S CB 0.870 64.072 63.200 0.004 0.000 0.790 137 S HN 0.416 nan 8.310 nan 0.000 0.510 138 G N 1.873 110.687 108.800 0.023 0.000 2.195 138 G HA2 -0.343 3.703 3.960 0.144 0.000 0.246 138 G HA3 -0.343 3.703 3.960 0.144 0.000 0.246 138 G C 0.648 175.577 174.900 0.049 0.000 0.984 138 G CA 0.480 45.603 45.100 0.039 0.000 0.633 138 G HN 0.516 nan 8.290 nan 0.000 0.525 139 D N -0.469 119.959 120.400 0.047 0.000 2.116 139 D HA -0.117 4.609 4.640 0.144 0.000 0.193 139 D C 0.761 177.099 176.300 0.063 0.000 0.998 139 D CA 0.758 54.785 54.000 0.044 0.000 0.836 139 D CB -0.100 40.728 40.800 0.046 0.000 0.951 139 D HN 0.453 nan 8.370 nan 0.000 0.449 140 W N 2.615 123.866 121.300 -0.082 0.000 2.485 140 W HA 0.173 4.919 4.660 0.144 0.000 0.315 140 W C -0.350 176.133 176.519 -0.060 0.000 1.304 140 W CA -0.374 56.921 57.345 -0.084 0.000 1.345 140 W CB 0.409 29.769 29.460 -0.166 0.000 1.368 140 W HN -0.180 nan 8.180 nan 0.000 0.497 141 K N 4.007 124.320 120.400 -0.145 0.000 2.123 141 K HA 0.530 4.937 4.320 0.144 0.000 0.248 141 K C 0.548 177.119 176.600 -0.048 0.000 0.969 141 K CA -0.571 55.693 56.287 -0.039 0.000 0.882 141 K CB 1.337 33.795 32.500 -0.070 0.000 1.080 141 K HN 0.574 nan 8.250 nan 0.000 0.441 142 G N 0.125 108.977 108.800 0.088 0.000 2.535 142 G HA2 0.063 4.110 3.960 0.144 0.000 0.282 142 G HA3 0.063 4.110 3.960 0.144 0.000 0.282 142 G C 0.480 175.522 174.900 0.236 0.000 1.350 142 G CA -0.245 44.970 45.100 0.192 0.000 1.039 142 G HN 0.723 nan 8.290 nan 0.000 0.509 143 Y N -1.854 118.729 120.300 0.471 0.000 2.680 143 Y HA 0.148 4.784 4.550 0.143 0.000 0.303 143 Y C 1.641 177.637 175.900 0.159 0.000 1.166 143 Y CA 0.995 59.271 58.100 0.294 0.000 1.344 143 Y CB -0.149 38.550 38.460 0.398 0.000 1.002 143 Y HN 0.336 nan 8.280 nan 0.000 0.537 144 T N -4.007 110.356 114.554 -0.318 0.000 3.275 144 T HA 0.481 4.917 4.350 0.144 0.000 0.298 144 T C 1.216 175.835 174.700 -0.136 0.000 0.988 144 T CA 0.014 61.924 62.100 -0.317 0.000 0.936 144 T CB -0.002 68.562 68.868 -0.506 0.000 1.159 144 T HN 0.774 nan 8.240 nan 0.000 0.519 145 G N 1.645 110.404 108.800 -0.068 0.000 2.159 145 G HA2 -0.253 3.793 3.960 0.144 0.000 0.256 145 G HA3 -0.253 3.793 3.960 0.144 0.000 0.256 145 G C -0.071 174.819 174.900 -0.017 0.000 0.977 145 G CA 0.296 45.373 45.100 -0.039 0.000 0.652 145 G HN 0.722 nan 8.290 nan 0.000 0.531 146 K N 0.663 121.062 120.400 -0.002 0.000 2.087 146 K HA 0.567 4.974 4.320 0.144 0.000 0.255 146 K C 0.593 177.238 176.600 0.075 0.000 0.988 146 K CA -0.294 56.011 56.287 0.031 0.000 0.915 146 K CB 0.842 33.360 32.500 0.030 0.000 1.043 146 K HN 0.083 nan 8.250 nan 0.000 0.457 147 T N 1.659 116.255 114.554 0.071 0.000 2.868 147 T HA 0.182 4.618 4.350 0.144 0.000 0.292 147 T C 0.437 175.205 174.700 0.112 0.000 1.028 147 T CA -0.488 61.664 62.100 0.086 0.000 1.059 147 T CB 0.387 69.290 68.868 0.058 0.000 0.991 147 T HN 0.235 nan 8.240 nan 0.000 0.531 148 I N 3.469 124.107 120.570 0.112 0.000 2.396 148 I HA 0.137 4.393 4.170 0.144 0.000 0.289 148 I C 1.752 177.908 176.117 0.065 0.000 1.056 148 I CA 0.157 61.517 61.300 0.100 0.000 1.365 148 I CB 0.616 38.643 38.000 0.046 0.000 1.407 148 I HN 0.881 nan 8.210 nan 0.000 0.509 149 T N 1.010 115.612 114.554 0.081 0.000 3.000 149 T HA 0.214 4.650 4.350 0.144 0.000 0.248 149 T C 0.248 175.006 174.700 0.096 0.000 1.034 149 T CA -0.096 62.053 62.100 0.082 0.000 1.060 149 T CB 0.191 69.116 68.868 0.095 0.000 0.983 149 T HN 0.439 nan 8.240 nan 0.000 0.482 150 D N 0.438 120.887 120.400 0.081 0.000 2.780 150 D HA 0.633 5.359 4.640 0.144 0.000 0.242 150 D C -1.502 174.776 176.300 -0.037 0.000 1.135 150 D CA -0.496 53.566 54.000 0.103 0.000 0.859 150 D CB 2.707 43.580 40.800 0.121 0.000 1.530 150 D HN 0.029 nan 8.370 nan 0.000 0.493 151 V N 2.608 122.503 119.914 -0.031 0.000 2.448 151 V HA 0.485 4.691 4.120 0.144 0.000 0.295 151 V C -0.540 175.412 176.094 -0.236 0.000 1.025 151 V CA -0.650 61.539 62.300 -0.185 0.000 0.859 151 V CB 1.326 33.045 31.823 -0.174 0.000 0.988 151 V HN 0.454 nan 8.190 nan 0.000 0.431 152 I N 4.831 125.141 120.570 -0.432 0.000 2.382 152 I HA 0.365 4.621 4.170 0.144 0.000 0.286 152 I C 0.188 176.109 176.117 -0.327 0.000 1.002 152 I CA -0.062 60.989 61.300 -0.415 0.000 1.135 152 I CB 1.378 39.008 38.000 -0.616 0.000 1.288 152 I HN 0.528 nan 8.210 nan 0.000 0.448 153 N N 7.799 126.257 118.700 -0.404 0.000 2.422 153 N HA 0.396 5.222 4.740 0.144 0.000 0.264 153 N C -1.053 174.389 175.510 -0.114 0.000 1.063 153 N CA -0.200 52.685 53.050 -0.276 0.000 0.959 153 N CB 1.011 39.260 38.487 -0.396 0.000 1.087 153 N HN 0.515 nan 8.380 nan 0.000 0.483 154 I N 2.839 123.387 120.570 -0.036 0.000 2.354 154 I HA 0.474 4.730 4.170 0.144 0.000 0.286 154 I C 0.614 176.719 176.117 -0.020 0.000 1.007 154 I CA -0.509 60.782 61.300 -0.015 0.000 1.167 154 I CB 1.547 39.552 38.000 0.008 0.000 1.320 154 I HN 0.557 nan 8.210 nan 0.000 0.458 155 G N 6.114 114.914 108.800 0.001 0.000 2.451 155 G HA2 0.606 4.652 3.960 0.144 0.000 0.292 155 G HA3 0.606 4.652 3.960 0.144 0.000 0.292 155 G C -2.072 172.841 174.900 0.022 0.000 1.427 155 G CA -0.444 44.656 45.100 -0.001 0.000 0.792 155 G HN 0.465 nan 8.290 nan 0.000 0.498 156 I N -0.453 120.122 120.570 0.009 0.000 2.969 156 I HA 0.644 4.901 4.170 0.144 0.000 0.307 156 I C 1.097 177.209 176.117 -0.007 0.000 1.149 156 I CA 0.714 62.021 61.300 0.012 0.000 1.008 156 I CB 2.017 40.021 38.000 0.006 0.000 1.232 156 I HN 1.839 nan 8.210 nan 0.000 0.435 157 G N 3.494 112.280 108.800 -0.023 0.000 2.629 157 G HA2 -0.350 3.697 3.960 0.144 0.000 0.313 157 G HA3 -0.350 3.697 3.960 0.144 0.000 0.313 157 G C 0.918 175.776 174.900 -0.070 0.000 1.217 157 G CA 0.528 45.595 45.100 -0.054 0.000 0.994 157 G HN 1.294 nan 8.290 nan 0.000 0.549 158 G N -0.624 108.136 108.800 -0.067 0.000 2.470 158 G HA2 0.130 4.177 3.960 0.144 0.000 0.220 158 G HA3 0.130 4.177 3.960 0.144 0.000 0.220 158 G C 1.703 176.573 174.900 -0.050 0.000 1.121 158 G CA 1.886 46.944 45.100 -0.071 0.000 0.766 158 G HN 1.210 nan 8.290 nan 0.000 0.553 159 S N -0.500 115.185 115.700 -0.024 0.000 2.660 159 S HA 0.196 4.752 4.470 0.144 0.000 0.227 159 S C 0.957 175.560 174.600 0.004 0.000 0.948 159 S CA 0.593 58.781 58.200 -0.020 0.000 0.948 159 S CB 0.247 63.456 63.200 0.015 0.000 0.779 159 S HN 0.618 nan 8.310 nan 0.000 0.487 160 D N 0.286 120.683 120.400 -0.004 0.000 2.971 160 D HA 0.200 4.927 4.640 0.144 0.000 0.221 160 D C 1.524 177.781 176.300 -0.070 0.000 1.406 160 D CA -0.255 53.761 54.000 0.025 0.000 1.328 160 D CB -0.520 40.305 40.800 0.042 0.000 1.369 160 D HN 0.111 nan 8.370 nan 0.000 0.364 161 L N 0.780 121.955 121.223 -0.080 0.000 2.013 161 L HA -0.057 4.369 4.340 0.144 0.000 0.212 161 L C 2.325 179.147 176.870 -0.081 0.000 1.073 161 L CA 2.025 56.811 54.840 -0.091 0.000 0.753 161 L CB -0.634 41.377 42.059 -0.081 0.000 0.890 161 L HN 0.338 nan 8.230 nan 0.000 0.432 162 G N -0.251 108.537 108.800 -0.019 0.000 2.480 162 G HA2 -0.227 3.819 3.960 0.144 0.000 0.216 162 G HA3 -0.227 3.819 3.960 0.144 0.000 0.216 162 G C -0.826 173.866 174.900 -0.346 0.000 1.200 162 G CA 0.845 45.819 45.100 -0.210 0.000 0.782 162 G HN 0.336 nan 8.290 nan 0.000 0.554 163 P HA -0.063 nan 4.420 nan 0.000 0.215 163 P C 2.043 179.086 177.300 -0.428 0.000 1.153 163 P CA 0.586 63.584 63.100 -0.170 0.000 0.853 163 P CB -0.088 31.672 31.700 0.100 0.000 0.788 164 L N -1.204 119.515 121.223 -0.840 0.000 1.994 164 L HA -0.130 4.296 4.340 0.144 0.000 0.208 164 L C 2.227 178.727 176.870 -0.617 0.000 1.071 164 L CA 2.045 56.116 54.840 -1.282 0.000 0.745 164 L CB -1.361 40.065 42.059 -1.055 0.000 0.892 164 L HN -0.076 nan 8.230 nan 0.000 0.431 165 M N -1.157 118.177 119.600 -0.444 0.000 2.117 165 M HA -0.150 4.417 4.480 0.144 0.000 0.262 165 M C 2.119 178.254 176.300 -0.274 0.000 1.065 165 M CA 2.010 57.109 55.300 -0.336 0.000 1.114 165 M CB -0.452 31.944 32.600 -0.340 0.000 1.361 165 M HN 0.219 nan 8.290 nan 0.000 0.408 166 V N 0.581 120.307 119.914 -0.313 0.000 2.379 166 V HA -0.227 3.979 4.120 0.144 0.000 0.245 166 V C 2.573 178.599 176.094 -0.114 0.000 1.044 166 V CA 2.185 64.349 62.300 -0.227 0.000 1.036 166 V CB -1.515 30.142 31.823 -0.277 0.000 0.664 166 V HN 0.655 nan 8.190 nan 0.000 0.453 167 T N -2.201 112.294 114.554 -0.098 0.000 2.833 167 T HA -0.184 4.252 4.350 0.144 0.000 0.269 167 T C 1.713 176.440 174.700 0.045 0.000 1.054 167 T CA 1.291 63.414 62.100 0.039 0.000 1.135 167 T CB -0.261 68.619 68.868 0.019 0.000 0.869 167 T HN 0.393 nan 8.240 nan 0.000 0.466 168 E N 1.741 121.919 120.200 -0.035 0.000 2.047 168 E HA 0.072 4.508 4.350 0.144 0.000 0.191 168 E C 2.661 179.334 176.600 0.122 0.000 0.987 168 E CA 1.315 57.758 56.400 0.072 0.000 0.799 168 E CB -0.733 28.968 29.700 0.002 0.000 0.752 168 E HN 0.673 nan 8.360 nan 0.000 0.449 169 A N 0.821 123.664 122.820 0.040 0.000 1.969 169 A HA -0.078 4.328 4.320 0.144 0.000 0.218 169 A C 1.977 179.517 177.584 -0.074 0.000 1.169 169 A CA 0.894 52.960 52.037 0.049 0.000 0.635 169 A CB -0.328 18.682 19.000 0.017 0.000 0.810 169 A HN 0.181 nan 8.150 nan 0.000 0.445 170 L N -1.098 120.093 121.223 -0.053 0.000 2.928 170 L HA 0.175 4.601 4.340 0.144 0.000 0.246 170 L C 1.550 178.426 176.870 0.010 0.000 1.239 170 L CA -0.275 54.566 54.840 0.002 0.000 1.035 170 L CB 0.129 42.177 42.059 -0.018 0.000 1.360 170 L HN 0.115 nan 8.230 nan 0.000 0.529 171 K N 1.611 121.927 120.400 -0.140 0.000 2.113 171 K HA -0.139 4.267 4.320 0.144 0.000 0.208 171 K C -0.684 175.827 176.600 -0.149 0.000 1.047 171 K CA 1.736 57.989 56.287 -0.057 0.000 0.928 171 K CB -0.926 31.591 32.500 0.028 0.000 0.716 171 K HN 0.161 nan 8.250 nan 0.000 0.446 172 P HA -0.114 nan 4.420 nan 0.000 0.225 172 P C -0.035 177.000 177.300 -0.442 0.000 1.148 172 P CA 1.097 63.978 63.100 -0.364 0.000 0.779 172 P CB 0.056 31.429 31.700 -0.545 0.000 0.780 173 Y N -1.281 118.910 120.300 -0.182 0.000 2.625 173 Y HA 0.154 4.791 4.550 0.144 0.000 0.285 173 Y C 1.599 177.376 175.900 -0.204 0.000 1.168 173 Y CA -0.024 57.985 58.100 -0.152 0.000 1.250 173 Y CB -0.662 37.726 38.460 -0.120 0.000 1.130 173 Y HN 0.013 nan 8.280 nan 0.000 0.526 174 S N -2.429 113.152 115.700 -0.199 0.000 2.577 174 S HA 0.116 4.672 4.470 0.144 0.000 0.219 174 S C 0.472 174.929 174.600 -0.238 0.000 0.962 174 S CA -0.501 57.445 58.200 -0.425 0.000 0.921 174 S CB -0.227 62.393 63.200 -0.966 0.000 0.789 174 S HN 0.096 nan 8.310 nan 0.000 0.497 175 S N 1.974 117.592 115.700 -0.136 0.000 2.544 175 S HA 0.447 5.003 4.470 0.144 0.000 0.290 175 S C 1.364 175.928 174.600 -0.059 0.000 1.276 175 S CA 0.500 58.650 58.200 -0.082 0.000 1.075 175 S CB 0.155 63.314 63.200 -0.068 0.000 0.849 175 S HN 1.166 nan 8.310 nan 0.000 0.494 176 G N 2.426 111.202 108.800 -0.040 0.000 2.157 176 G HA2 -0.142 3.904 3.960 0.144 0.000 0.248 176 G HA3 -0.142 3.904 3.960 0.144 0.000 0.248 176 G C 0.241 175.128 174.900 -0.021 0.000 0.979 176 G CA -0.237 44.850 45.100 -0.022 0.000 0.650 176 G HN 1.102 nan 8.290 nan 0.000 0.529 177 G N -0.379 108.398 108.800 -0.039 0.000 2.489 177 G HA2 0.768 4.814 3.960 0.144 0.000 0.327 177 G HA3 0.768 4.814 3.960 0.144 0.000 0.327 177 G C -2.207 172.714 174.900 0.035 0.000 1.189 177 G CA -1.080 44.010 45.100 -0.017 0.000 0.962 177 G HN 0.181 nan 8.290 nan 0.000 0.486 178 P HA 0.270 nan 4.420 nan 0.000 0.272 178 P C -0.196 177.166 177.300 0.105 0.000 1.240 178 P CA -0.446 62.691 63.100 0.062 0.000 0.791 178 P CB 0.625 32.339 31.700 0.023 0.000 0.978 179 R N 0.280 120.825 120.500 0.074 0.000 2.389 179 R HA 0.335 4.761 4.340 0.144 0.000 0.295 179 R C -0.290 175.923 176.300 -0.145 0.000 1.075 179 R CA -0.639 55.444 56.100 -0.029 0.000 1.005 179 R CB 0.289 30.588 30.300 -0.001 0.000 0.987 179 R HN 0.320 nan 8.270 nan 0.000 0.452 180 V N 0.211 119.888 119.914 -0.395 0.000 2.483 180 V HA 0.619 4.825 4.120 0.144 0.000 0.295 180 V C -0.943 174.792 176.094 -0.599 0.000 1.035 180 V CA -1.047 60.987 62.300 -0.443 0.000 0.896 180 V CB 0.962 32.483 31.823 -0.503 0.000 0.986 180 V HN 0.651 nan 8.190 nan 0.000 0.447 181 W N 2.923 123.934 121.300 -0.483 0.000 2.781 181 W HA 0.833 5.580 4.660 0.145 0.000 0.345 181 W C -1.161 174.987 176.519 -0.619 0.000 1.085 181 W CA -0.874 56.272 57.345 -0.331 0.000 1.198 181 W CB 1.869 31.177 29.460 -0.254 0.000 1.423 181 W HN 0.490 nan 8.180 nan 0.000 0.532 182 F N 1.695 121.703 119.950 0.096 0.000 2.539 182 F HA 0.568 5.181 4.527 0.144 0.000 0.328 182 F C -0.413 175.322 175.800 -0.108 0.000 1.148 182 F CA -1.214 56.787 58.000 0.002 0.000 0.940 182 F CB 1.289 40.291 39.000 0.004 0.000 1.194 182 F HN -0.169 nan 8.300 nan 0.000 0.438 183 V N 2.911 122.760 119.914 -0.108 0.000 2.384 183 V HA 0.443 4.649 4.120 0.144 0.000 0.287 183 V C 0.090 176.095 176.094 -0.148 0.000 1.020 183 V CA -0.079 61.933 62.300 -0.480 0.000 0.850 183 V CB 1.411 33.035 31.823 -0.333 0.000 0.987 183 V HN 0.944 nan 8.190 nan 0.000 0.436 184 S N 2.855 118.572 115.700 0.030 0.000 3.171 184 S HA 0.152 4.708 4.470 0.144 0.000 0.258 184 S C 0.719 175.438 174.600 0.198 0.000 1.083 184 S CA -0.195 58.106 58.200 0.168 0.000 0.801 184 S CB -0.139 63.181 63.200 0.200 0.000 0.831 184 S HN 0.548 nan 8.310 nan 0.000 0.462 185 N N 1.641 120.564 118.700 0.372 0.000 2.441 185 N HA 0.124 4.950 4.740 0.144 0.000 0.251 185 N C 0.695 176.285 175.510 0.132 0.000 1.242 185 N CA -0.036 53.122 53.050 0.180 0.000 0.898 185 N CB 0.816 39.358 38.487 0.091 0.000 1.100 185 N HN 0.322 nan 8.380 nan 0.000 0.443 186 I N 1.696 122.305 120.570 0.065 0.000 2.676 186 I HA -0.064 4.192 4.170 0.144 0.000 0.259 186 I C 0.277 176.422 176.117 0.047 0.000 1.194 186 I CA 0.488 61.813 61.300 0.043 0.000 1.473 186 I CB -0.586 37.427 38.000 0.021 0.000 1.096 186 I HN 0.533 nan 8.210 nan 0.000 0.443 187 D N 0.778 121.208 120.400 0.050 0.000 2.554 187 D HA -0.036 4.690 4.640 0.144 0.000 0.251 187 D C 1.652 177.989 176.300 0.061 0.000 1.213 187 D CA 0.877 54.902 54.000 0.042 0.000 0.900 187 D CB 0.716 41.530 40.800 0.024 0.000 1.135 187 D HN 0.358 nan 8.370 nan 0.000 0.522 188 G N 3.421 112.246 108.800 0.041 0.000 2.517 188 G HA2 -0.342 3.704 3.960 0.144 0.000 0.222 188 G HA3 -0.342 3.704 3.960 0.144 0.000 0.222 188 G C 1.501 176.429 174.900 0.046 0.000 1.109 188 G CA 1.267 46.389 45.100 0.037 0.000 0.746 188 G HN 0.583 nan 8.290 nan 0.000 0.576 189 T N -0.657 113.927 114.554 0.051 0.000 2.720 189 T HA -0.158 4.278 4.350 0.144 0.000 0.268 189 T C 1.876 176.640 174.700 0.107 0.000 1.037 189 T CA 1.476 63.609 62.100 0.055 0.000 1.144 189 T CB -0.370 68.520 68.868 0.037 0.000 0.864 189 T HN 0.624 nan 8.240 nan 0.000 0.444 190 H N -0.419 118.654 119.070 0.004 0.000 2.267 190 H HA -0.085 4.557 4.556 0.143 0.000 0.297 190 H C 2.410 177.732 175.328 -0.010 0.000 1.080 190 H CA 1.416 57.471 56.048 0.012 0.000 1.278 190 H CB -0.098 29.677 29.762 0.023 0.000 1.365 190 H HN 0.216 nan 8.280 nan 0.000 0.489 191 I N 0.920 121.508 120.570 0.029 0.000 2.252 191 I HA -0.169 4.087 4.170 0.144 0.000 0.245 191 I C 2.492 178.533 176.117 -0.128 0.000 1.102 191 I CA 1.494 62.736 61.300 -0.097 0.000 1.385 191 I CB -0.689 37.267 38.000 -0.074 0.000 1.064 191 I HN 0.345 nan 8.210 nan 0.000 0.414 192 A N 0.651 123.431 122.820 -0.067 0.000 1.865 192 A HA -0.232 4.174 4.320 0.144 0.000 0.217 192 A C 2.246 179.773 177.584 -0.095 0.000 1.191 192 A CA 1.937 53.925 52.037 -0.082 0.000 0.623 192 A CB -0.664 18.322 19.000 -0.023 0.000 0.826 192 A HN 0.397 nan 8.150 nan 0.000 0.444 193 K N -0.574 119.805 120.400 -0.036 0.000 2.211 193 K HA -0.049 4.357 4.320 0.144 0.000 0.203 193 K C 1.929 178.479 176.600 -0.083 0.000 1.050 193 K CA 1.546 57.820 56.287 -0.022 0.000 0.945 193 K CB -0.724 31.804 32.500 0.047 0.000 0.732 193 K HN 0.539 nan 8.250 nan 0.000 0.451 194 T N 1.994 116.466 114.554 -0.137 0.000 2.851 194 T HA 0.046 4.483 4.350 0.144 0.000 0.262 194 T C 2.008 176.400 174.700 -0.513 0.000 1.043 194 T CA 0.627 62.554 62.100 -0.288 0.000 1.140 194 T CB -0.063 68.662 68.868 -0.239 0.000 0.872 194 T HN 0.077 nan 8.240 nan 0.000 0.446 195 L N 1.011 121.921 121.223 -0.520 0.000 2.201 195 L HA 0.034 4.461 4.340 0.144 0.000 0.212 195 L C 2.988 179.573 176.870 -0.474 0.000 1.105 195 L CA 0.682 55.032 54.840 -0.817 0.000 0.775 195 L CB -0.678 40.630 42.059 -1.251 0.000 0.913 195 L HN 0.228 nan 8.230 nan 0.000 0.440 196 A N -0.248 122.412 122.820 -0.268 0.000 1.978 196 A HA -0.205 4.201 4.320 0.144 0.000 0.220 196 A C 1.763 179.305 177.584 -0.069 0.000 1.170 196 A CA 1.629 53.611 52.037 -0.092 0.000 0.636 196 A CB -0.876 18.091 19.000 -0.055 0.000 0.810 196 A HN 0.626 nan 8.150 nan 0.000 0.448 197 C N -0.210 118.981 119.300 -0.183 0.000 2.336 197 C HA 0.717 5.263 4.460 0.144 0.000 0.332 197 C C 0.036 174.896 174.990 -0.216 0.000 1.375 197 C CA -0.965 57.962 59.018 -0.151 0.000 1.785 197 C CB -2.144 25.514 27.740 -0.137 0.000 2.407 197 C HN 0.381 nan 8.230 nan 0.000 0.562 198 L N 1.269 122.425 121.223 -0.112 0.000 2.422 198 L HA 0.490 4.916 4.340 0.144 0.000 0.264 198 L C -0.711 176.329 176.870 0.284 0.000 0.984 198 L CA -0.326 54.501 54.840 -0.022 0.000 0.819 198 L CB 1.658 43.591 42.059 -0.210 0.000 1.330 198 L HN 0.143 nan 8.230 nan 0.000 0.410 199 N N 3.984 122.817 118.700 0.222 0.000 2.439 199 N HA 0.233 5.059 4.740 0.144 0.000 0.249 199 N C -1.792 173.876 175.510 0.263 0.000 1.003 199 N CA -1.801 51.375 53.050 0.209 0.000 0.942 199 N CB 1.889 40.453 38.487 0.130 0.000 1.115 199 N HN 0.336 nan 8.380 nan 0.000 0.505 200 P HA -0.145 nan 4.420 nan 0.000 0.222 200 P C 0.425 177.865 177.300 0.233 0.000 1.142 200 P CA 1.204 64.396 63.100 0.154 0.000 0.788 200 P CB 0.617 32.073 31.700 -0.406 0.000 0.767 201 E N 0.550 120.880 120.200 0.217 0.000 2.028 201 E HA -0.065 4.371 4.350 0.144 0.000 0.190 201 E C 1.796 178.607 176.600 0.351 0.000 0.984 201 E CA 1.597 58.149 56.400 0.254 0.000 0.800 201 E CB -0.342 29.405 29.700 0.077 0.000 0.758 201 E HN 0.355 nan 8.360 nan 0.000 0.448 202 S N 0.241 116.090 115.700 0.248 0.000 2.614 202 S HA 0.197 4.753 4.470 0.144 0.000 0.230 202 S C 0.368 175.094 174.600 0.211 0.000 0.952 202 S CA -0.545 57.794 58.200 0.232 0.000 0.949 202 S CB 0.400 63.688 63.200 0.146 0.000 0.786 202 S HN -0.141 nan 8.310 nan 0.000 0.478 203 S N 2.035 117.885 115.700 0.251 0.000 2.462 203 S HA 0.640 5.196 4.470 0.144 0.000 0.294 203 S C -0.839 173.823 174.600 0.104 0.000 1.144 203 S CA -0.661 57.589 58.200 0.082 0.000 1.088 203 S CB 1.323 64.560 63.200 0.062 0.000 1.009 203 S HN 0.505 nan 8.310 nan 0.000 0.484 204 L N 4.228 125.360 121.223 -0.151 0.000 2.325 204 L HA 0.668 5.094 4.340 0.144 0.000 0.281 204 L C -1.679 174.928 176.870 -0.439 0.000 1.004 204 L CA -0.356 54.396 54.840 -0.147 0.000 0.823 204 L CB 0.326 42.311 42.059 -0.123 0.000 1.236 204 L HN 0.477 nan 8.230 nan 0.000 0.415 205 F N 5.564 125.285 119.950 -0.382 0.000 2.421 205 F HA 0.556 5.169 4.527 0.144 0.000 0.337 205 F C 0.159 175.799 175.800 -0.267 0.000 1.105 205 F CA -0.403 57.335 58.000 -0.437 0.000 1.049 205 F CB 1.347 39.839 39.000 -0.847 0.000 1.139 205 F HN 0.247 nan 8.300 nan 0.000 0.479 206 I N 5.105 125.658 120.570 -0.029 0.000 2.382 206 I HA 0.259 4.515 4.170 0.144 0.000 0.285 206 I C -0.875 175.264 176.117 0.036 0.000 1.007 206 I CA -0.612 60.676 61.300 -0.020 0.000 1.142 206 I CB 1.049 38.978 38.000 -0.118 0.000 1.289 206 I HN 0.298 nan 8.210 nan 0.000 0.453 207 I N 5.944 126.583 120.570 0.114 0.000 2.294 207 I HA 0.289 4.545 4.170 0.144 0.000 0.295 207 I C 0.770 176.966 176.117 0.132 0.000 1.098 207 I CA -0.265 61.085 61.300 0.083 0.000 1.277 207 I CB 0.500 38.540 38.000 0.066 0.000 1.434 207 I HN 0.499 nan 8.210 nan 0.000 0.498 208 A N 4.975 127.827 122.820 0.054 0.000 2.260 208 A HA 0.620 5.026 4.320 0.144 0.000 0.312 208 A C 0.231 177.869 177.584 0.090 0.000 1.321 208 A CA -0.316 51.771 52.037 0.085 0.000 0.928 208 A CB 0.606 19.616 19.000 0.017 0.000 1.158 208 A HN 0.634 nan 8.150 nan 0.000 0.542 209 S N 2.237 118.070 115.700 0.222 0.000 2.599 209 S HA 0.229 4.785 4.470 0.144 0.000 0.269 209 S C 0.582 175.370 174.600 0.314 0.000 1.135 209 S CA -0.498 57.815 58.200 0.189 0.000 1.027 209 S CB 0.845 64.026 63.200 -0.032 0.000 1.129 209 S HN 0.804 nan 8.310 nan 0.000 0.458 210 K N 2.256 122.849 120.400 0.322 0.000 2.020 210 K HA -0.136 4.270 4.320 0.144 0.000 0.212 210 K C 1.884 178.469 176.600 -0.024 0.000 1.050 210 K CA 2.568 58.930 56.287 0.124 0.000 0.929 210 K CB -0.478 32.130 32.500 0.180 0.000 0.714 210 K HN 0.775 nan 8.250 nan 0.000 0.443 211 T N -2.689 111.892 114.554 0.046 0.000 3.014 211 T HA -0.081 4.356 4.350 0.144 0.000 0.263 211 T C 0.911 175.697 174.700 0.144 0.000 1.078 211 T CA 0.606 62.731 62.100 0.041 0.000 1.135 211 T CB -0.302 68.582 68.868 0.026 0.000 0.895 211 T HN 0.356 nan 8.240 nan 0.000 0.480 212 F N 2.207 122.128 119.950 -0.047 0.000 3.074 212 F HA -0.280 4.333 4.527 0.143 0.000 0.289 212 F C 0.990 176.763 175.800 -0.046 0.000 0.863 212 F CA 1.032 58.997 58.000 -0.057 0.000 1.121 212 F CB -1.728 37.231 39.000 -0.068 0.000 1.169 212 F HN 0.538 nan 8.300 nan 0.000 0.570 213 T N -5.320 109.223 114.554 -0.018 0.000 3.041 213 T HA 0.185 4.621 4.350 0.144 0.000 0.276 213 T C 0.608 175.276 174.700 -0.054 0.000 0.948 213 T CA 0.533 62.619 62.100 -0.023 0.000 0.885 213 T CB 0.070 68.953 68.868 0.024 0.000 1.175 213 T HN 0.137 nan 8.240 nan 0.000 0.529 214 T N 3.295 117.806 114.554 -0.072 0.000 2.866 214 T HA 0.034 4.470 4.350 0.144 0.000 0.293 214 T C 1.262 175.917 174.700 -0.075 0.000 1.005 214 T CA 0.166 62.230 62.100 -0.060 0.000 1.162 214 T CB 1.218 70.051 68.868 -0.059 0.000 0.968 214 T HN 0.387 nan 8.240 nan 0.000 0.530 215 Q N 2.465 122.240 119.800 -0.042 0.000 2.045 215 Q HA -0.230 4.197 4.340 0.144 0.000 0.206 215 Q C 1.850 177.825 176.000 -0.043 0.000 0.991 215 Q CA 1.994 57.775 55.803 -0.035 0.000 0.851 215 Q CB 0.036 28.766 28.738 -0.013 0.000 0.911 215 Q HN 0.729 nan 8.270 nan 0.000 0.418 216 E N -0.460 119.719 120.200 -0.034 0.000 2.038 216 E HA -0.178 4.258 4.350 0.144 0.000 0.195 216 E C 2.048 178.617 176.600 -0.052 0.000 1.000 216 E CA 2.082 58.466 56.400 -0.027 0.000 0.803 216 E CB -0.375 29.320 29.700 -0.010 0.000 0.750 216 E HN 0.349 nan 8.360 nan 0.000 0.448 217 T N 1.209 115.711 114.554 -0.086 0.000 2.643 217 T HA -0.133 4.304 4.350 0.144 0.000 0.264 217 T C 1.790 176.365 174.700 -0.210 0.000 1.045 217 T CA 1.151 63.167 62.100 -0.141 0.000 1.155 217 T CB -0.217 68.545 68.868 -0.177 0.000 0.863 217 T HN 0.028 nan 8.240 nan 0.000 0.420 218 I N 1.778 122.197 120.570 -0.250 0.000 2.264 218 I HA -0.149 4.107 4.170 0.144 0.000 0.248 218 I C 2.607 178.655 176.117 -0.115 0.000 1.111 218 I CA 1.531 62.668 61.300 -0.272 0.000 1.382 218 I CB -1.877 35.995 38.000 -0.213 0.000 1.060 218 I HN 0.292 nan 8.210 nan 0.000 0.418 219 T N 1.222 115.736 114.554 -0.066 0.000 2.737 219 T HA -0.118 4.318 4.350 0.144 0.000 0.265 219 T C 1.787 176.484 174.700 -0.005 0.000 1.038 219 T CA 1.250 63.341 62.100 -0.016 0.000 1.144 219 T CB -0.224 68.638 68.868 -0.009 0.000 0.866 219 T HN 0.279 nan 8.240 nan 0.000 0.434 220 N N 1.383 120.067 118.700 -0.026 0.000 2.120 220 N HA -0.038 4.788 4.740 0.144 0.000 0.188 220 N C 2.162 177.676 175.510 0.006 0.000 1.024 220 N CA 1.366 54.407 53.050 -0.014 0.000 0.852 220 N CB -0.505 37.965 38.487 -0.029 0.000 1.003 220 N HN 0.416 nan 8.380 nan 0.000 0.424 221 A N 1.557 124.362 122.820 -0.024 0.000 1.902 221 A HA -0.151 4.256 4.320 0.144 0.000 0.217 221 A C 2.153 179.882 177.584 0.241 0.000 1.181 221 A CA 1.440 53.502 52.037 0.041 0.000 0.623 221 A CB -0.364 18.450 19.000 -0.309 0.000 0.818 221 A HN 0.279 nan 8.150 nan 0.000 0.443 222 K N -1.001 119.523 120.400 0.208 0.000 2.097 222 K HA -0.074 4.332 4.320 0.144 0.000 0.205 222 K C 2.006 178.666 176.600 0.099 0.000 1.050 222 K CA 1.631 58.035 56.287 0.196 0.000 0.938 222 K CB -0.327 32.257 32.500 0.139 0.000 0.718 222 K HN 0.450 nan 8.250 nan 0.000 0.442 223 T N 0.953 115.556 114.554 0.081 0.000 2.857 223 T HA -0.078 4.358 4.350 0.144 0.000 0.266 223 T C 1.968 176.733 174.700 0.109 0.000 1.048 223 T CA 1.189 63.334 62.100 0.074 0.000 1.139 223 T CB -0.134 68.760 68.868 0.043 0.000 0.874 223 T HN 0.306 nan 8.240 nan 0.000 0.455 224 A N 1.613 124.482 122.820 0.082 0.000 1.898 224 A HA -0.082 4.324 4.320 0.144 0.000 0.216 224 A C 2.209 179.920 177.584 0.212 0.000 1.181 224 A CA 1.845 53.902 52.037 0.033 0.000 0.620 224 A CB -0.489 18.366 19.000 -0.241 0.000 0.819 224 A HN 0.455 nan 8.150 nan 0.000 0.442 225 K N -0.478 120.006 120.400 0.141 0.000 2.057 225 K HA -0.196 4.210 4.320 0.144 0.000 0.207 225 K C 1.347 177.999 176.600 0.088 0.000 1.049 225 K CA 1.718 57.991 56.287 -0.023 0.000 0.931 225 K CB -0.176 32.111 32.500 -0.355 0.000 0.714 225 K HN 0.373 nan 8.250 nan 0.000 0.440 226 D N -0.233 120.215 120.400 0.080 0.000 2.097 226 D HA -0.189 4.537 4.640 0.144 0.000 0.195 226 D C 1.398 177.765 176.300 0.111 0.000 0.989 226 D CA 1.018 55.055 54.000 0.062 0.000 0.827 226 D CB -0.419 40.417 40.800 0.060 0.000 0.966 226 D HN 0.402 nan 8.370 nan 0.000 0.456 227 W N 0.869 122.178 121.300 0.016 0.000 2.335 227 W HA -0.235 4.511 4.660 0.144 0.000 0.311 227 W C 2.137 178.686 176.519 0.050 0.000 1.213 227 W CA 1.329 58.691 57.345 0.028 0.000 1.274 227 W CB -0.782 28.705 29.460 0.045 0.000 1.148 227 W HN -0.007 nan 8.180 nan 0.000 0.498 228 F N 0.396 120.318 119.950 -0.048 0.000 2.102 228 F HA -0.198 4.416 4.527 0.144 0.000 0.298 228 F C 1.966 177.569 175.800 -0.328 0.000 1.105 228 F CA 1.859 59.692 58.000 -0.278 0.000 1.239 228 F CB -0.772 38.286 39.000 0.097 0.000 0.991 228 F HN -0.165 nan 8.300 nan 0.000 0.474 229 L N 0.097 121.165 121.223 -0.259 0.000 2.191 229 L HA -0.179 4.247 4.340 0.144 0.000 0.212 229 L C 2.057 178.699 176.870 -0.379 0.000 1.103 229 L CA 1.132 55.756 54.840 -0.359 0.000 0.769 229 L CB -1.112 40.863 42.059 -0.139 0.000 0.908 229 L HN 0.200 nan 8.230 nan 0.000 0.438 230 L N -1.692 119.340 121.223 -0.318 0.000 2.265 230 L HA -0.147 4.279 4.340 0.144 0.000 0.215 230 L C 2.592 179.266 176.870 -0.325 0.000 1.117 230 L CA 1.674 56.356 54.840 -0.262 0.000 0.782 230 L CB -0.861 41.078 42.059 -0.200 0.000 0.914 230 L HN 0.336 nan 8.230 nan 0.000 0.441 231 S N -1.611 113.794 115.700 -0.491 0.000 2.510 231 S HA 0.165 4.722 4.470 0.144 0.000 0.230 231 S C 1.794 176.116 174.600 -0.464 0.000 1.066 231 S CA 0.419 58.349 58.200 -0.450 0.000 0.941 231 S CB 0.071 62.943 63.200 -0.546 0.000 0.829 231 S HN 0.288 nan 8.310 nan 0.000 0.530 232 A N 1.768 124.081 122.820 -0.844 0.000 2.307 232 A HA 0.306 4.712 4.320 0.144 0.000 0.218 232 A C 0.274 177.466 177.584 -0.654 0.000 1.228 232 A CA -0.355 51.020 52.037 -1.104 0.000 0.857 232 A CB -0.457 17.185 19.000 -2.264 0.000 0.897 232 A HN 0.558 nan 8.150 nan 0.000 0.495 233 K N 1.689 121.818 120.400 -0.452 0.000 3.908 233 K HA -0.171 4.235 4.320 0.144 0.000 0.279 233 K C -0.904 175.572 176.600 -0.207 0.000 0.889 233 K CA 1.109 57.235 56.287 -0.268 0.000 0.974 233 K CB -0.799 31.594 32.500 -0.178 0.000 1.646 233 K HN 0.430 nan 8.250 nan 0.000 0.435 234 D N 2.073 122.360 120.400 -0.187 0.000 2.390 234 D HA 0.036 4.762 4.640 0.144 0.000 0.121 234 D C -2.291 173.973 176.300 -0.060 0.000 0.990 234 D CA -0.984 52.955 54.000 -0.102 0.000 1.316 234 D CB 0.878 41.636 40.800 -0.070 0.000 3.093 234 D HN 0.097 nan 8.370 nan 0.000 0.702 235 P HA -0.128 nan 4.420 nan 0.000 0.216 235 P C 1.368 178.671 177.300 0.005 0.000 1.150 235 P CA 1.370 64.448 63.100 -0.037 0.000 0.837 235 P CB -0.012 31.650 31.700 -0.063 0.000 0.786 236 S N -1.050 114.660 115.700 0.015 0.000 2.537 236 S HA -0.104 4.452 4.470 0.144 0.000 0.240 236 S C 1.538 176.198 174.600 0.099 0.000 0.981 236 S CA 1.553 59.777 58.200 0.039 0.000 0.948 236 S CB -1.824 61.395 63.200 0.031 0.000 0.759 236 S HN 0.358 nan 8.310 nan 0.000 0.531 237 T N -0.736 113.914 114.554 0.160 0.000 3.060 237 T HA 0.183 4.619 4.350 0.144 0.000 0.249 237 T C 1.727 176.655 174.700 0.379 0.000 1.079 237 T CA 0.403 62.684 62.100 0.302 0.000 1.013 237 T CB -0.326 68.749 68.868 0.345 0.000 0.975 237 T HN 0.486 nan 8.240 nan 0.000 0.518 238 V N -0.089 119.971 119.914 0.244 0.000 2.594 238 V HA 0.149 4.355 4.120 0.144 0.000 0.253 238 V C 2.758 179.002 176.094 0.250 0.000 1.069 238 V CA 1.191 63.564 62.300 0.122 0.000 1.082 238 V CB -1.614 30.102 31.823 -0.177 0.000 0.680 238 V HN 0.494 nan 8.190 nan 0.000 0.469 239 A N 0.255 123.199 122.820 0.206 0.000 2.121 239 A HA -0.048 4.358 4.320 0.144 0.000 0.218 239 A C 2.244 180.027 177.584 0.332 0.000 1.154 239 A CA 1.646 53.824 52.037 0.235 0.000 0.679 239 A CB -0.420 18.668 19.000 0.146 0.000 0.795 239 A HN 0.664 nan 8.150 nan 0.000 0.458 240 K N -1.598 118.984 120.400 0.305 0.000 2.352 240 K HA 0.104 4.510 4.320 0.144 0.000 0.194 240 K C 0.639 177.406 176.600 0.280 0.000 1.038 240 K CA 0.516 56.969 56.287 0.277 0.000 1.023 240 K CB 0.160 32.690 32.500 0.050 0.000 0.840 240 K HN 0.551 nan 8.250 nan 0.000 0.519 241 H N -1.171 118.130 119.070 0.385 0.000 2.784 241 H HA 0.205 4.847 4.556 0.144 0.000 0.273 241 H C -0.832 174.523 175.328 0.046 0.000 1.112 241 H CA 0.040 56.202 56.048 0.190 0.000 1.162 241 H CB 0.551 30.218 29.762 -0.158 0.000 1.586 241 H HN -0.052 nan 8.280 nan 0.000 0.548 242 F N 1.643 121.740 119.950 0.245 0.000 2.579 242 F HA 0.295 4.908 4.527 0.144 0.000 0.325 242 F C 0.118 176.049 175.800 0.218 0.000 1.162 242 F CA -1.146 57.003 58.000 0.248 0.000 0.946 242 F CB 1.649 40.803 39.000 0.257 0.000 1.211 242 F HN -0.228 nan 8.300 nan 0.000 0.447 243 V N 0.270 120.347 119.914 0.271 0.000 3.019 243 V HA 1.041 5.247 4.120 0.144 0.000 0.317 243 V C -0.645 175.563 176.094 0.189 0.000 1.094 243 V CA -1.065 61.336 62.300 0.168 0.000 1.000 243 V CB 1.597 33.408 31.823 -0.021 0.000 1.060 243 V HN 0.916 nan 8.190 nan 0.000 0.443 244 A N 2.547 125.466 122.820 0.164 0.000 2.435 244 A HA 0.899 5.306 4.320 0.144 0.000 0.304 244 A C -0.995 176.693 177.584 0.173 0.000 1.064 244 A CA -0.796 51.342 52.037 0.168 0.000 0.727 244 A CB 1.647 20.666 19.000 0.033 0.000 1.284 244 A HN 1.052 nan 8.150 nan 0.000 0.415 245 L N 1.903 123.245 121.223 0.197 0.000 2.353 245 L HA 0.680 5.106 4.340 0.144 0.000 0.270 245 L C 0.034 177.122 176.870 0.364 0.000 1.003 245 L CA -0.205 54.776 54.840 0.235 0.000 0.862 245 L CB 1.013 43.140 42.059 0.113 0.000 1.221 245 L HN 0.673 nan 8.230 nan 0.000 0.430 246 S N 0.096 115.910 115.700 0.189 0.000 2.672 246 S HA 0.500 5.056 4.470 0.144 0.000 0.271 246 S C 0.491 174.812 174.600 -0.466 0.000 1.171 246 S CA 0.243 58.413 58.200 -0.049 0.000 0.817 246 S CB 1.914 65.049 63.200 -0.109 0.000 1.150 246 S HN 0.661 nan 8.310 nan 0.000 0.478 247 T N -0.688 113.509 114.554 -0.595 0.000 3.023 247 T HA 0.319 4.755 4.350 0.144 0.000 0.253 247 T C 0.217 174.708 174.700 -0.349 0.000 1.038 247 T CA -0.142 61.594 62.100 -0.606 0.000 0.962 247 T CB -0.298 68.166 68.868 -0.675 0.000 1.018 247 T HN 0.410 nan 8.240 nan 0.000 0.521 248 N N 1.033 119.568 118.700 -0.274 0.000 2.446 248 N HA 0.226 5.053 4.740 0.144 0.000 0.265 248 N C 0.315 175.681 175.510 -0.240 0.000 0.975 248 N CA -0.161 52.772 53.050 -0.196 0.000 0.928 248 N CB 2.111 40.533 38.487 -0.108 0.000 1.160 248 N HN 0.024 nan 8.380 nan 0.000 0.495 249 T N 2.119 116.558 114.554 -0.191 0.000 2.851 249 T HA -0.012 4.424 4.350 0.144 0.000 0.262 249 T C 1.894 176.505 174.700 -0.148 0.000 1.043 249 T CA 1.268 63.257 62.100 -0.185 0.000 1.140 249 T CB -0.060 68.729 68.868 -0.132 0.000 0.872 249 T HN 0.654 nan 8.240 nan 0.000 0.446 250 A N 2.459 125.222 122.820 -0.096 0.000 1.873 250 A HA -0.215 4.192 4.320 0.144 0.000 0.218 250 A C 2.257 179.822 177.584 -0.033 0.000 1.193 250 A CA 1.816 53.822 52.037 -0.050 0.000 0.629 250 A CB -0.525 18.460 19.000 -0.025 0.000 0.826 250 A HN 0.468 nan 8.150 nan 0.000 0.447 251 K N -0.564 119.819 120.400 -0.027 0.000 2.057 251 K HA -0.053 4.353 4.320 0.144 0.000 0.207 251 K C 1.903 178.524 176.600 0.035 0.000 1.049 251 K CA 1.328 57.662 56.287 0.077 0.000 0.931 251 K CB -0.436 32.187 32.500 0.205 0.000 0.714 251 K HN 0.323 nan 8.250 nan 0.000 0.440 252 V N 1.889 121.587 119.914 -0.361 0.000 2.287 252 V HA -0.274 3.932 4.120 0.144 0.000 0.248 252 V C 2.330 178.393 176.094 -0.053 0.000 1.053 252 V CA 1.845 63.840 62.300 -0.509 0.000 1.027 252 V CB -0.415 31.027 31.823 -0.635 0.000 0.646 252 V HN 0.239 nan 8.190 nan 0.000 0.447 253 K N 0.299 120.662 120.400 -0.062 0.000 2.057 253 K HA -0.186 4.221 4.320 0.144 0.000 0.207 253 K C 2.204 178.828 176.600 0.041 0.000 1.049 253 K CA 1.451 57.734 56.287 -0.007 0.000 0.931 253 K CB -0.445 32.038 32.500 -0.028 0.000 0.714 253 K HN 0.364 nan 8.250 nan 0.000 0.440 254 E N -0.418 119.821 120.200 0.065 0.000 2.118 254 E HA -0.191 4.245 4.350 0.144 0.000 0.195 254 E C 1.776 178.454 176.600 0.131 0.000 0.992 254 E CA 0.996 57.448 56.400 0.086 0.000 0.804 254 E CB -0.278 29.485 29.700 0.105 0.000 0.741 254 E HN 0.360 nan 8.360 nan 0.000 0.458 255 F N 0.023 120.020 119.950 0.078 0.000 2.269 255 F HA -0.032 4.581 4.527 0.144 0.000 0.301 255 F C 1.499 177.305 175.800 0.009 0.000 1.082 255 F CA 1.947 60.002 58.000 0.091 0.000 1.360 255 F CB 0.169 39.325 39.000 0.261 0.000 1.041 255 F HN 0.166 nan 8.300 nan 0.000 0.512 256 G N 0.435 109.228 108.800 -0.012 0.000 2.164 256 G HA2 -0.137 3.909 3.960 0.144 0.000 0.154 256 G HA3 -0.137 3.909 3.960 0.144 0.000 0.154 256 G C -0.008 174.898 174.900 0.010 0.000 1.014 256 G CA -0.076 44.957 45.100 -0.111 0.000 0.683 256 G HN 0.281 nan 8.290 nan 0.000 0.500 257 I N 2.633 123.281 120.570 0.129 0.000 2.354 257 I HA 0.314 4.570 4.170 0.144 0.000 0.292 257 I C -0.187 175.967 176.117 0.061 0.000 0.989 257 I CA -1.051 60.339 61.300 0.149 0.000 1.188 257 I CB 1.361 39.502 38.000 0.236 0.000 1.342 257 I HN 0.240 nan 8.210 nan 0.000 0.457 258 D N 8.025 128.458 120.400 0.055 0.000 2.382 258 D HA 0.076 4.802 4.640 0.144 0.000 0.245 258 D C -1.790 174.492 176.300 -0.030 0.000 1.120 258 D CA -2.203 51.806 54.000 0.013 0.000 0.890 258 D CB 0.528 41.345 40.800 0.028 0.000 1.201 258 D HN 0.273 nan 8.370 nan 0.000 0.433 259 P HA -0.248 nan 4.420 nan 0.000 0.220 259 P C 1.207 178.426 177.300 -0.133 0.000 1.144 259 P CA 1.050 64.087 63.100 -0.104 0.000 0.800 259 P CB 0.306 31.955 31.700 -0.085 0.000 0.772 260 Q N 0.362 120.106 119.800 -0.094 0.000 2.224 260 Q HA -0.091 4.335 4.340 0.144 0.000 0.203 260 Q C 0.930 176.807 176.000 -0.205 0.000 0.970 260 Q CA 1.137 56.875 55.803 -0.110 0.000 0.865 260 Q CB -0.353 28.368 28.738 -0.028 0.000 0.922 260 Q HN 0.261 nan 8.270 nan 0.000 0.445 261 N N 0.121 118.724 118.700 -0.161 0.000 2.279 261 N HA 0.100 4.926 4.740 0.144 0.000 0.226 261 N C -0.392 174.924 175.510 -0.323 0.000 1.126 261 N CA 0.035 52.944 53.050 -0.235 0.000 0.846 261 N CB 0.379 38.893 38.487 0.045 0.000 1.050 261 N HN 0.282 nan 8.380 nan 0.000 0.502 262 M N 0.870 120.232 119.600 -0.396 0.000 2.101 262 M HA 0.352 4.918 4.480 0.144 0.000 0.340 262 M C -1.442 174.611 176.300 -0.413 0.000 1.057 262 M CA -0.609 54.524 55.300 -0.279 0.000 0.984 262 M CB 0.471 32.936 32.600 -0.225 0.000 1.560 262 M HN -0.199 nan 8.290 nan 0.000 0.435 263 F N 4.102 123.962 119.950 -0.151 0.000 2.371 263 F HA 0.316 4.929 4.527 0.144 0.000 0.363 263 F C 0.563 176.308 175.800 -0.093 0.000 1.122 263 F CA -0.620 57.309 58.000 -0.119 0.000 1.129 263 F CB 0.586 39.507 39.000 -0.131 0.000 1.173 263 F HN 0.522 nan 8.300 nan 0.000 0.489 264 E N 4.114 124.271 120.200 -0.071 0.000 2.250 264 E HA 0.705 5.141 4.350 0.144 0.000 0.269 264 E C -1.103 175.172 176.600 -0.541 0.000 1.018 264 E CA -0.624 55.608 56.400 -0.279 0.000 0.873 264 E CB 1.672 31.108 29.700 -0.441 0.000 1.134 264 E HN 0.487 nan 8.360 nan 0.000 0.403 265 F N -1.469 117.886 119.950 -0.991 0.000 2.764 265 F HA 0.704 5.317 4.527 0.144 0.000 0.347 265 F C -0.556 174.375 175.800 -1.448 0.000 1.151 265 F CA -1.348 55.837 58.000 -1.357 0.000 1.021 265 F CB 1.081 39.806 39.000 -0.459 0.000 1.438 265 F HN 0.357 nan 8.300 nan 0.000 0.516 266 W N 0.738 121.785 121.300 -0.422 0.000 2.894 266 W HA 0.183 4.929 4.660 0.143 0.000 0.345 266 W C 0.409 176.573 176.519 -0.591 0.000 1.152 266 W CA -0.254 56.663 57.345 -0.712 0.000 1.089 266 W CB 0.886 29.602 29.460 -1.239 0.000 1.454 266 W HN 0.704 nan 8.180 nan 0.000 0.589 267 D N -0.389 119.851 120.400 -0.267 0.000 2.263 267 D HA -0.186 4.540 4.640 0.144 0.000 0.208 267 D C 1.348 177.678 176.300 0.050 0.000 0.971 267 D CA 1.253 55.196 54.000 -0.095 0.000 0.867 267 D CB -0.585 40.207 40.800 -0.013 0.000 0.929 267 D HN 0.563 nan 8.370 nan 0.000 0.492 268 W N 0.747 122.160 121.300 0.189 0.000 3.345 268 W HA 0.391 5.137 4.660 0.144 0.000 0.282 268 W C -0.553 176.073 176.519 0.179 0.000 1.302 268 W CA -0.706 56.713 57.345 0.123 0.000 1.724 268 W CB -0.344 29.141 29.460 0.041 0.000 1.104 268 W HN -0.280 nan 8.180 nan 0.000 0.694 269 V N 2.853 122.964 119.914 0.329 0.000 2.304 269 V HA 0.376 4.582 4.120 0.144 0.000 0.262 269 V C 1.101 177.434 176.094 0.399 0.000 1.061 269 V CA -0.547 62.014 62.300 0.434 0.000 0.872 269 V CB 0.037 32.132 31.823 0.453 0.000 1.077 269 V HN 0.163 nan 8.190 nan 0.000 0.480 270 G N 3.368 112.424 108.800 0.426 0.000 2.432 270 G HA2 0.349 4.395 3.960 0.144 0.000 0.239 270 G HA3 0.349 4.395 3.960 0.144 0.000 0.239 270 G C 1.151 176.264 174.900 0.354 0.000 1.291 270 G CA 0.195 45.543 45.100 0.413 0.000 0.863 270 G HN 0.849 nan 8.290 nan 0.000 0.560 271 G N 2.167 111.108 108.800 0.234 0.000 2.513 271 G HA2 -0.302 3.744 3.960 0.144 0.000 0.219 271 G HA3 -0.302 3.744 3.960 0.144 0.000 0.219 271 G C 1.682 176.605 174.900 0.039 0.000 1.160 271 G CA 0.955 46.136 45.100 0.134 0.000 0.767 271 G HN 0.816 nan 8.290 nan 0.000 0.571 272 R N -0.858 119.619 120.500 -0.039 0.000 2.346 272 R HA 0.112 4.538 4.340 0.144 0.000 0.199 272 R C 0.242 176.257 176.300 -0.474 0.000 1.015 272 R CA 0.671 56.580 56.100 -0.318 0.000 1.058 272 R CB -0.331 29.689 30.300 -0.467 0.000 0.921 272 R HN 0.481 nan 8.270 nan 0.000 0.475 273 Y N 0.103 120.448 120.300 0.074 0.000 2.742 273 Y HA 0.186 4.821 4.550 0.142 0.000 0.248 273 Y C 1.058 177.127 175.900 0.282 0.000 1.132 273 Y CA -0.417 57.767 58.100 0.140 0.000 1.142 273 Y CB 1.189 39.582 38.460 -0.112 0.000 1.222 273 Y HN 0.192 nan 8.280 nan 0.000 0.575 274 S N -0.699 115.133 115.700 0.221 0.000 2.524 274 S HA -0.015 4.542 4.470 0.144 0.000 0.215 274 S C 1.601 176.175 174.600 -0.043 0.000 0.986 274 S CA 0.049 58.312 58.200 0.106 0.000 0.911 274 S CB -0.486 62.657 63.200 -0.096 0.000 0.805 274 S HN 0.445 nan 8.310 nan 0.000 0.501 275 L N -1.569 119.546 121.223 -0.181 0.000 2.353 275 L HA 0.281 4.707 4.340 0.144 0.000 0.220 275 L C 1.666 178.378 176.870 -0.263 0.000 1.133 275 L CA 0.912 55.551 54.840 -0.335 0.000 0.798 275 L CB -1.454 40.268 42.059 -0.562 0.000 0.922 275 L HN 0.362 nan 8.230 nan 0.000 0.445 276 W N 0.495 121.855 121.300 0.100 0.000 2.905 276 W HA 0.249 4.996 4.660 0.145 0.000 0.251 276 W C 1.891 178.567 176.519 0.262 0.000 1.305 276 W CA 0.378 57.807 57.345 0.141 0.000 1.465 276 W CB -0.598 28.930 29.460 0.113 0.000 1.122 276 W HN 0.364 nan 8.180 nan 0.000 0.659 277 S N 0.282 116.188 115.700 0.344 0.000 2.448 277 S HA 0.638 5.194 4.470 0.144 0.000 0.271 277 S C 1.649 176.308 174.600 0.098 0.000 1.145 277 S CA -0.012 58.346 58.200 0.264 0.000 1.022 277 S CB 0.159 63.448 63.200 0.148 0.000 1.202 277 S HN -0.006 nan 8.310 nan 0.000 0.479 278 A N 0.205 123.018 122.820 -0.013 0.000 2.076 278 A HA 0.034 4.440 4.320 0.144 0.000 0.220 278 A C 2.032 179.482 177.584 -0.225 0.000 1.160 278 A CA 1.040 53.034 52.037 -0.071 0.000 0.653 278 A CB -1.113 17.921 19.000 0.057 0.000 0.801 278 A HN 0.683 nan 8.150 nan 0.000 0.455 279 I N -0.013 120.341 120.570 -0.361 0.000 2.423 279 I HA -0.190 4.066 4.170 0.144 0.000 0.254 279 I C 2.244 178.239 176.117 -0.202 0.000 1.151 279 I CA 1.465 62.566 61.300 -0.331 0.000 1.421 279 I CB -1.571 36.180 38.000 -0.415 0.000 1.079 279 I HN 0.376 nan 8.210 nan 0.000 0.431 280 G N 0.178 108.882 108.800 -0.160 0.000 3.262 280 G HA2 0.014 4.060 3.960 0.144 0.000 0.228 280 G HA3 0.014 4.060 3.960 0.144 0.000 0.228 280 G C 1.503 176.204 174.900 -0.331 0.000 1.197 280 G CA -0.201 44.817 45.100 -0.137 0.000 0.819 280 G HN 0.236 nan 8.290 nan 0.000 0.531 281 L N 1.996 123.016 121.223 -0.337 0.000 2.042 281 L HA -0.139 4.287 4.340 0.144 0.000 0.210 281 L C 3.022 179.735 176.870 -0.260 0.000 1.076 281 L CA 2.625 57.236 54.840 -0.382 0.000 0.749 281 L CB -0.664 41.110 42.059 -0.475 0.000 0.893 281 L HN 0.313 nan 8.230 nan 0.000 0.432 282 S N -1.057 114.531 115.700 -0.186 0.000 2.399 282 S HA -0.193 4.363 4.470 0.144 0.000 0.231 282 S C 2.052 176.630 174.600 -0.037 0.000 1.022 282 S CA 1.541 59.666 58.200 -0.125 0.000 0.983 282 S CB -0.989 62.134 63.200 -0.129 0.000 0.803 282 S HN 0.534 nan 8.310 nan 0.000 0.480 283 I N 2.248 122.795 120.570 -0.039 0.000 2.163 283 I HA -0.115 4.141 4.170 0.144 0.000 0.240 283 I C 3.125 179.248 176.117 0.010 0.000 1.081 283 I CA 1.130 62.449 61.300 0.031 0.000 1.353 283 I CB -0.778 37.258 38.000 0.061 0.000 1.054 283 I HN 0.411 nan 8.210 nan 0.000 0.407 284 A N 0.999 123.715 122.820 -0.174 0.000 1.908 284 A HA -0.179 4.227 4.320 0.144 0.000 0.218 284 A C 2.307 179.888 177.584 -0.004 0.000 1.181 284 A CA 1.511 53.457 52.037 -0.152 0.000 0.627 284 A CB -0.929 17.863 19.000 -0.345 0.000 0.818 284 A HN 0.396 nan 8.150 nan 0.000 0.445 285 L N -1.815 119.391 121.223 -0.029 0.000 2.131 285 L HA -0.182 4.244 4.340 0.144 0.000 0.210 285 L C 2.634 179.535 176.870 0.052 0.000 1.092 285 L CA 1.621 56.456 54.840 -0.009 0.000 0.759 285 L CB -0.479 41.547 42.059 -0.055 0.000 0.903 285 L HN 0.597 nan 8.230 nan 0.000 0.435 286 H N -0.281 118.766 119.070 -0.039 0.000 2.372 286 H HA -0.056 4.586 4.556 0.143 0.000 0.301 286 H C 1.722 177.055 175.328 0.008 0.000 1.065 286 H CA 1.730 57.767 56.048 -0.019 0.000 1.364 286 H CB 0.291 30.049 29.762 -0.006 0.000 1.406 286 H HN 0.150 nan 8.280 nan 0.000 0.521 287 V N -2.687 117.225 119.914 -0.004 0.000 3.578 287 V HA 0.517 4.723 4.120 0.144 0.000 0.290 287 V C 0.838 176.945 176.094 0.022 0.000 1.376 287 V CA 0.314 62.592 62.300 -0.037 0.000 1.083 287 V CB -0.328 31.499 31.823 0.008 0.000 0.911 287 V HN 0.658 nan 8.190 nan 0.000 0.433 288 G N -0.082 108.745 108.800 0.046 0.000 2.712 288 G HA2 -0.232 3.814 3.960 0.144 0.000 0.686 288 G HA3 -0.232 3.814 3.960 0.144 0.000 0.686 288 G C -0.377 174.615 174.900 0.152 0.000 1.321 288 G CA 0.023 45.180 45.100 0.095 0.000 0.813 288 G HN 0.279 nan 8.290 nan 0.000 0.599 289 F N 0.678 120.666 119.950 0.062 0.000 2.234 289 F HA 0.045 4.659 4.527 0.145 0.000 0.299 289 F C 2.394 178.290 175.800 0.161 0.000 1.087 289 F CA 2.128 60.202 58.000 0.123 0.000 1.340 289 F CB 0.043 39.100 39.000 0.095 0.000 1.031 289 F HN 0.542 nan 8.300 nan 0.000 0.500 290 D N -0.128 120.403 120.400 0.217 0.000 2.123 290 D HA -0.193 4.533 4.640 0.144 0.000 0.196 290 D C 1.956 178.279 176.300 0.038 0.000 0.992 290 D CA 1.235 55.312 54.000 0.129 0.000 0.833 290 D CB -0.387 40.478 40.800 0.108 0.000 0.954 290 D HN 0.207 nan 8.370 nan 0.000 0.455 291 N N -0.360 118.354 118.700 0.022 0.000 2.270 291 N HA -0.119 4.707 4.740 0.144 0.000 0.181 291 N C 1.644 177.108 175.510 -0.075 0.000 1.016 291 N CA 0.266 53.284 53.050 -0.052 0.000 0.870 291 N CB -0.355 38.094 38.487 -0.062 0.000 0.979 291 N HN 0.191 nan 8.380 nan 0.000 0.431 292 F N 2.423 122.236 119.950 -0.228 0.000 2.134 292 F HA -0.081 4.535 4.527 0.148 0.000 0.299 292 F C 2.087 177.724 175.800 -0.273 0.000 1.097 292 F CA 1.342 59.156 58.000 -0.310 0.000 1.264 292 F CB -0.103 38.575 39.000 -0.538 0.000 1.001 292 F HN 0.017 nan 8.300 nan 0.000 0.479 293 E N -0.500 119.543 120.200 -0.261 0.000 2.204 293 E HA -0.213 4.224 4.350 0.144 0.000 0.194 293 E C 2.129 178.645 176.600 -0.140 0.000 0.989 293 E CA 0.932 57.212 56.400 -0.201 0.000 0.824 293 E CB -0.154 29.540 29.700 -0.011 0.000 0.756 293 E HN 0.506 nan 8.360 nan 0.000 0.477 294 Q N 0.354 120.090 119.800 -0.107 0.000 2.123 294 Q HA -0.125 4.302 4.340 0.144 0.000 0.199 294 Q C 2.360 178.309 176.000 -0.084 0.000 0.966 294 Q CA 0.649 56.434 55.803 -0.030 0.000 0.845 294 Q CB -0.300 28.409 28.738 -0.047 0.000 0.907 294 Q HN 0.254 nan 8.270 nan 0.000 0.439 295 L N 0.763 121.869 121.223 -0.196 0.000 1.989 295 L HA -0.173 4.253 4.340 0.144 0.000 0.211 295 L C 2.171 178.979 176.870 -0.103 0.000 1.071 295 L CA 1.610 56.333 54.840 -0.194 0.000 0.749 295 L CB -0.740 41.137 42.059 -0.304 0.000 0.890 295 L HN 0.137 nan 8.230 nan 0.000 0.431 296 L N -1.165 119.929 121.223 -0.216 0.000 2.079 296 L HA -0.210 4.216 4.340 0.144 0.000 0.210 296 L C 2.717 179.534 176.870 -0.088 0.000 1.081 296 L CA 1.481 56.257 54.840 -0.106 0.000 0.752 296 L CB -0.886 41.042 42.059 -0.217 0.000 0.896 296 L HN 0.400 nan 8.230 nan 0.000 0.433 297 S N 0.097 115.751 115.700 -0.077 0.000 2.383 297 S HA -0.117 4.439 4.470 0.144 0.000 0.227 297 S C 2.033 176.498 174.600 -0.226 0.000 1.026 297 S CA 1.304 59.524 58.200 0.033 0.000 0.981 297 S CB -0.381 62.950 63.200 0.218 0.000 0.818 297 S HN 0.521 nan 8.310 nan 0.000 0.472 298 G N 0.739 109.072 108.800 -0.779 0.000 2.418 298 G HA2 -0.051 3.995 3.960 0.144 0.000 0.217 298 G HA3 -0.051 3.995 3.960 0.144 0.000 0.217 298 G C 1.666 176.307 174.900 -0.433 0.000 1.158 298 G CA 0.925 45.194 45.100 -1.384 0.000 0.771 298 G HN 0.675 nan 8.290 nan 0.000 0.545 299 A N 0.260 122.940 122.820 -0.234 0.000 1.933 299 A HA -0.082 4.324 4.320 0.144 0.000 0.218 299 A C 2.111 179.650 177.584 -0.075 0.000 1.175 299 A CA 2.064 53.968 52.037 -0.221 0.000 0.628 299 A CB -0.725 17.841 19.000 -0.722 0.000 0.814 299 A HN 0.517 nan 8.150 nan 0.000 0.444 300 H N -2.339 116.662 119.070 -0.114 0.000 2.387 300 H HA -0.180 4.465 4.556 0.150 0.000 0.299 300 H C 1.719 177.095 175.328 0.080 0.000 1.090 300 H CA 1.974 58.017 56.048 -0.008 0.000 1.332 300 H CB -0.403 29.367 29.762 0.013 0.000 1.386 300 H HN 0.687 nan 8.280 nan 0.000 0.516 301 W N 0.026 121.293 121.300 -0.056 0.000 2.358 301 W HA -0.227 4.461 4.660 0.046 0.000 0.303 301 W C 2.223 178.740 176.519 -0.003 0.000 1.208 301 W CA 1.744 59.085 57.345 -0.008 0.000 1.274 301 W CB -0.226 29.312 29.460 0.130 0.000 1.138 301 W HN 0.278 nan 8.180 nan 0.000 0.515 302 M N 0.809 120.606 119.600 0.329 0.000 2.254 302 M HA -0.133 4.433 4.480 0.144 0.000 0.265 302 M C 1.339 177.758 176.300 0.198 0.000 1.066 302 M CA 1.899 57.379 55.300 0.299 0.000 1.123 302 M CB -0.837 31.941 32.600 0.296 0.000 1.388 302 M HN -0.149 nan 8.290 nan 0.000 0.425 303 D N -0.317 120.175 120.400 0.153 0.000 2.117 303 D HA -0.167 4.559 4.640 0.144 0.000 0.197 303 D C 1.984 178.258 176.300 -0.043 0.000 0.987 303 D CA 1.102 55.256 54.000 0.257 0.000 0.829 303 D CB -0.192 40.766 40.800 0.262 0.000 0.961 303 D HN 0.402 nan 8.370 nan 0.000 0.460 304 Q N -0.190 119.431 119.800 -0.298 0.000 2.079 304 Q HA -0.149 4.277 4.340 0.144 0.000 0.200 304 Q C 2.109 177.858 176.000 -0.419 0.000 0.974 304 Q CA 1.093 56.632 55.803 -0.440 0.000 0.840 304 Q CB -0.782 27.633 28.738 -0.538 0.000 0.898 304 Q HN 0.561 nan 8.270 nan 0.000 0.430 305 H N 0.139 118.885 119.070 -0.540 0.000 2.352 305 H HA -0.165 4.452 4.556 0.102 0.000 0.299 305 H C 1.712 176.929 175.328 -0.185 0.000 1.097 305 H CA 1.804 57.586 56.048 -0.444 0.000 1.311 305 H CB -0.329 29.144 29.762 -0.482 0.000 1.377 305 H HN 0.193 nan 8.280 nan 0.000 0.504 306 F N 1.112 120.906 119.950 -0.260 0.000 2.186 306 F HA -0.024 4.583 4.527 0.134 0.000 0.299 306 F C 2.603 178.160 175.800 -0.405 0.000 1.090 306 F CA 1.647 59.476 58.000 -0.286 0.000 1.307 306 F CB -0.454 38.395 39.000 -0.253 0.000 1.019 306 F HN 0.088 nan 8.300 nan 0.000 0.489 307 R N -0.516 119.576 120.500 -0.681 0.000 2.119 307 R HA -0.055 4.371 4.340 0.144 0.000 0.222 307 R C 1.789 177.720 176.300 -0.615 0.000 1.088 307 R CA 1.658 57.227 56.100 -0.886 0.000 0.984 307 R CB -0.259 29.396 30.300 -1.076 0.000 0.884 307 R HN 0.449 nan 8.270 nan 0.000 0.447 308 T N -3.298 110.960 114.554 -0.493 0.000 3.023 308 T HA 0.162 4.598 4.350 0.144 0.000 0.253 308 T C 0.403 174.899 174.700 -0.340 0.000 1.038 308 T CA -0.252 61.619 62.100 -0.381 0.000 0.962 308 T CB 0.520 69.193 68.868 -0.325 0.000 1.018 308 T HN -0.114 nan 8.240 nan 0.000 0.521 309 T N 4.531 118.842 114.554 -0.404 0.000 2.806 309 T HA 0.469 4.905 4.350 0.144 0.000 0.290 309 T C -2.672 171.865 174.700 -0.272 0.000 0.966 309 T CA -1.086 60.798 62.100 -0.359 0.000 1.060 309 T CB 1.244 69.771 68.868 -0.567 0.000 0.927 309 T HN 0.097 nan 8.240 nan 0.000 0.485 310 P HA 0.089 nan 4.420 nan 0.000 0.265 310 P C 0.813 178.023 177.300 -0.150 0.000 1.193 310 P CA -0.396 62.605 63.100 -0.165 0.000 0.765 310 P CB 0.423 32.041 31.700 -0.136 0.000 0.823 311 L N 3.126 124.266 121.223 -0.138 0.000 2.064 311 L HA -0.255 4.171 4.340 0.144 0.000 0.216 311 L C 1.905 178.708 176.870 -0.111 0.000 1.077 311 L CA 2.021 56.794 54.840 -0.111 0.000 0.766 311 L CB -1.396 40.598 42.059 -0.109 0.000 0.890 311 L HN 0.441 nan 8.230 nan 0.000 0.435 312 E N -0.591 119.530 120.200 -0.131 0.000 2.267 312 E HA -0.138 4.298 4.350 0.144 0.000 0.197 312 E C 1.195 177.744 176.600 -0.084 0.000 0.998 312 E CA 0.992 57.310 56.400 -0.137 0.000 0.830 312 E CB -0.049 29.551 29.700 -0.167 0.000 0.751 312 E HN 0.338 nan 8.360 nan 0.000 0.491 313 K N 0.188 120.551 120.400 -0.062 0.000 2.706 313 K HA 0.140 4.546 4.320 0.144 0.000 0.203 313 K C -0.282 176.340 176.600 0.036 0.000 1.102 313 K CA -0.210 56.080 56.287 0.005 0.000 1.058 313 K CB 0.505 33.009 32.500 0.008 0.000 0.779 313 K HN -0.053 nan 8.250 nan 0.000 0.483 314 N N 1.493 120.189 118.700 -0.007 0.000 2.462 314 N HA 0.170 4.996 4.740 0.144 0.000 0.242 314 N C 0.747 176.353 175.510 0.160 0.000 1.010 314 N CA 0.131 53.191 53.050 0.018 0.000 0.939 314 N CB 1.500 39.968 38.487 -0.031 0.000 1.127 314 N HN 0.131 nan 8.380 nan 0.000 0.509 315 A N 6.662 129.716 122.820 0.390 0.000 1.869 315 A HA -0.132 4.274 4.320 0.144 0.000 0.218 315 A C -0.604 177.034 177.584 0.090 0.000 1.203 315 A CA 1.610 53.773 52.037 0.209 0.000 0.638 315 A CB -1.472 17.637 19.000 0.182 0.000 0.831 315 A HN 0.563 nan 8.150 nan 0.000 0.450 316 P HA -0.123 nan 4.420 nan 0.000 0.216 316 P C 1.633 178.938 177.300 0.009 0.000 1.153 316 P CA 1.647 64.744 63.100 -0.006 0.000 0.858 316 P CB -0.175 31.433 31.700 -0.154 0.000 0.789 317 V N -0.635 119.324 119.914 0.075 0.000 2.295 317 V HA -0.229 3.977 4.120 0.144 0.000 0.246 317 V C 2.471 178.545 176.094 -0.035 0.000 1.049 317 V CA 1.657 63.986 62.300 0.049 0.000 1.024 317 V CB -1.339 30.527 31.823 0.071 0.000 0.648 317 V HN 0.065 nan 8.190 nan 0.000 0.447 318 L N -0.697 120.481 121.223 -0.074 0.000 2.012 318 L HA -0.203 4.223 4.340 0.144 0.000 0.210 318 L C 2.467 179.253 176.870 -0.140 0.000 1.073 318 L CA 1.604 56.329 54.840 -0.191 0.000 0.748 318 L CB -0.593 41.262 42.059 -0.340 0.000 0.891 318 L HN 0.299 nan 8.230 nan 0.000 0.431 319 L N -0.501 120.682 121.223 -0.066 0.000 2.046 319 L HA -0.208 4.218 4.340 0.144 0.000 0.208 319 L C 2.899 179.794 176.870 0.041 0.000 1.077 319 L CA 1.206 56.053 54.840 0.012 0.000 0.747 319 L CB -0.759 41.308 42.059 0.014 0.000 0.896 319 L HN 0.252 nan 8.230 nan 0.000 0.432 320 A N -0.276 122.547 122.820 0.004 0.000 1.858 320 A HA -0.219 4.187 4.320 0.144 0.000 0.216 320 A C 2.267 179.831 177.584 -0.034 0.000 1.190 320 A CA 1.667 53.692 52.037 -0.021 0.000 0.617 320 A CB -0.397 18.566 19.000 -0.061 0.000 0.827 320 A HN 0.272 nan 8.150 nan 0.000 0.443 321 M N -0.367 119.205 119.600 -0.047 0.000 2.159 321 M HA -0.001 4.565 4.480 0.144 0.000 0.263 321 M C 2.095 178.407 176.300 0.020 0.000 1.063 321 M CA 1.036 56.313 55.300 -0.039 0.000 1.110 321 M CB -1.517 31.036 32.600 -0.077 0.000 1.374 321 M HN 0.372 nan 8.290 nan 0.000 0.411 322 L N -0.705 120.530 121.223 0.020 0.000 2.083 322 L HA -0.125 4.301 4.340 0.144 0.000 0.209 322 L C 2.573 179.557 176.870 0.189 0.000 1.083 322 L CA 1.268 56.151 54.840 0.072 0.000 0.752 322 L CB -1.228 40.906 42.059 0.125 0.000 0.899 322 L HN 0.382 nan 8.230 nan 0.000 0.433 323 G N 0.165 109.099 108.800 0.223 0.000 2.418 323 G HA2 -0.211 3.835 3.960 0.144 0.000 0.217 323 G HA3 -0.211 3.835 3.960 0.144 0.000 0.217 323 G C 1.516 176.604 174.900 0.312 0.000 1.158 323 G CA 0.350 45.635 45.100 0.308 0.000 0.771 323 G HN 0.151 nan 8.290 nan 0.000 0.545 324 I N -0.059 120.637 120.570 0.210 0.000 2.226 324 I HA -0.136 4.120 4.170 0.144 0.000 0.245 324 I C 2.380 178.712 176.117 0.357 0.000 1.100 324 I CA 0.708 62.159 61.300 0.251 0.000 1.374 324 I CB -1.057 37.003 38.000 0.100 0.000 1.057 324 I HN 0.487 nan 8.210 nan 0.000 0.413 325 W N 1.357 122.689 121.300 0.053 0.000 2.333 325 W HA -0.319 4.429 4.660 0.147 0.000 0.316 325 W C 2.522 179.128 176.519 0.145 0.000 1.215 325 W CA 1.451 58.801 57.345 0.007 0.000 1.278 325 W CB -0.455 28.896 29.460 -0.182 0.000 1.154 325 W HN 0.081 nan 8.180 nan 0.000 0.486 326 Y N 0.460 120.970 120.300 0.350 0.000 2.263 326 Y HA -0.138 4.497 4.550 0.142 0.000 0.292 326 Y C 2.476 178.497 175.900 0.201 0.000 1.130 326 Y CA 1.447 59.679 58.100 0.220 0.000 1.179 326 Y CB -1.118 37.445 38.460 0.172 0.000 0.998 326 Y HN -0.080 nan 8.280 nan 0.000 0.532 327 I N -0.065 120.737 120.570 0.387 0.000 2.193 327 I HA -0.281 3.976 4.170 0.144 0.000 0.240 327 I C 1.364 177.633 176.117 0.254 0.000 1.084 327 I CA 1.745 63.240 61.300 0.325 0.000 1.365 327 I CB -0.362 37.895 38.000 0.429 0.000 1.064 327 I HN 0.177 nan 8.210 nan 0.000 0.410 328 N N -0.892 117.985 118.700 0.295 0.000 2.424 328 N HA -0.011 4.815 4.740 0.144 0.000 0.178 328 N C 1.485 177.032 175.510 0.062 0.000 1.060 328 N CA 0.512 53.726 53.050 0.274 0.000 0.901 328 N CB 0.216 39.005 38.487 0.503 0.000 0.979 328 N HN 0.309 nan 8.380 nan 0.000 0.451 329 C N -1.180 118.033 119.300 -0.145 0.000 2.406 329 C HA 0.269 4.815 4.460 0.144 0.000 0.343 329 C C 1.757 176.177 174.990 -0.949 0.000 1.397 329 C CA -0.206 58.396 59.018 -0.694 0.000 2.069 329 C CB -0.819 26.316 27.740 -1.008 0.000 2.374 329 C HN 0.349 nan 8.230 nan 0.000 0.545 330 F N 1.210 120.867 119.950 -0.488 0.000 2.664 330 F HA 0.253 4.866 4.527 0.143 0.000 0.296 330 F C 2.024 177.793 175.800 -0.051 0.000 1.125 330 F CA 1.230 59.117 58.000 -0.189 0.000 1.444 330 F CB -0.327 38.671 39.000 -0.003 0.000 1.114 330 F HN 0.396 nan 8.300 nan 0.000 0.576 331 G N 0.243 109.114 108.800 0.119 0.000 2.176 331 G HA2 -0.303 3.743 3.960 0.144 0.000 0.252 331 G HA3 -0.303 3.743 3.960 0.144 0.000 0.252 331 G C -0.068 174.910 174.900 0.131 0.000 1.024 331 G CA -0.097 45.067 45.100 0.108 0.000 0.755 331 G HN 0.299 nan 8.290 nan 0.000 0.507 332 C N 0.565 119.971 119.300 0.177 0.000 2.627 332 C HA 0.318 4.864 4.460 0.144 0.000 0.404 332 C C 1.850 176.917 174.990 0.127 0.000 1.340 332 C CA -0.130 58.972 59.018 0.140 0.000 1.758 332 C CB 0.363 28.184 27.740 0.135 0.000 2.501 332 C HN 0.634 nan 8.230 nan 0.000 0.588 333 E N 0.677 120.930 120.200 0.088 0.000 2.208 333 E HA -0.089 4.347 4.350 0.144 0.000 0.193 333 E C 1.194 177.853 176.600 0.097 0.000 0.988 333 E CA 1.053 57.495 56.400 0.069 0.000 0.828 333 E CB 0.289 30.004 29.700 0.025 0.000 0.763 333 E HN 0.910 nan 8.360 nan 0.000 0.478 334 T N -2.117 112.518 114.554 0.135 0.000 2.907 334 T HA 0.465 4.901 4.350 0.144 0.000 0.290 334 T C -0.846 173.986 174.700 0.220 0.000 1.066 334 T CA -1.026 61.204 62.100 0.217 0.000 1.012 334 T CB 2.249 71.315 68.868 0.329 0.000 1.184 334 T HN -0.153 nan 8.240 nan 0.000 0.522 335 Q N 0.484 120.415 119.800 0.218 0.000 2.274 335 Q HA 0.682 5.109 4.340 0.144 0.000 0.268 335 Q C -1.266 174.649 176.000 -0.142 0.000 1.015 335 Q CA -0.494 55.353 55.803 0.074 0.000 0.775 335 Q CB 1.671 30.462 28.738 0.089 0.000 1.256 335 Q HN 1.136 nan 8.270 nan 0.000 0.442 336 A N 3.199 125.821 122.820 -0.329 0.000 2.301 336 A HA 0.752 5.158 4.320 0.144 0.000 0.312 336 A C -0.940 176.388 177.584 -0.426 0.000 1.182 336 A CA -0.546 51.035 52.037 -0.760 0.000 0.826 336 A CB 1.071 19.516 19.000 -0.924 0.000 1.134 336 A HN 0.560 nan 8.150 nan 0.000 0.501 337 V N 3.678 123.356 119.914 -0.393 0.000 2.350 337 V HA 0.369 4.576 4.120 0.144 0.000 0.285 337 V C -0.535 175.495 176.094 -0.107 0.000 1.014 337 V CA -0.078 62.135 62.300 -0.145 0.000 0.831 337 V CB 0.867 32.665 31.823 -0.042 0.000 1.000 337 V HN 0.713 nan 8.190 nan 0.000 0.433 338 L N 7.535 128.697 121.223 -0.102 0.000 2.433 338 L HA 0.434 4.860 4.340 0.144 0.000 0.256 338 L C -2.529 174.458 176.870 0.196 0.000 1.063 338 L CA -1.399 53.415 54.840 -0.043 0.000 0.922 338 L CB 1.981 43.836 42.059 -0.341 0.000 1.238 338 L HN 0.405 nan 8.230 nan 0.000 0.466 339 P HA 0.083 nan 4.420 nan 0.000 0.287 339 P C -0.948 176.558 177.300 0.344 0.000 1.281 339 P CA -0.294 62.987 63.100 0.302 0.000 0.781 339 P CB 0.835 32.630 31.700 0.158 0.000 0.903 340 Y N 2.227 122.645 120.300 0.197 0.000 2.735 340 Y HA 0.299 4.936 4.550 0.145 0.000 0.354 340 Y C 0.344 176.316 175.900 0.120 0.000 1.288 340 Y CA 0.103 58.306 58.100 0.173 0.000 1.836 340 Y CB -0.367 38.229 38.460 0.227 0.000 1.920 340 Y HN 0.392 nan 8.280 nan 0.000 0.438 341 D N -0.587 119.928 120.400 0.192 0.000 2.738 341 D HA 0.145 4.871 4.640 0.144 0.000 0.218 341 D C 0.575 176.955 176.300 0.133 0.000 1.345 341 D CA -0.252 53.855 54.000 0.179 0.000 0.943 341 D CB 1.141 42.081 40.800 0.232 0.000 1.514 341 D HN -0.060 nan 8.370 nan 0.000 0.585 342 Q N 1.935 121.761 119.800 0.044 0.000 2.170 342 Q HA -0.134 4.292 4.340 0.144 0.000 0.203 342 Q C 1.054 177.111 176.000 0.096 0.000 0.976 342 Q CA 1.448 57.242 55.803 -0.014 0.000 0.858 342 Q CB -0.155 28.479 28.738 -0.174 0.000 0.907 342 Q HN 0.745 nan 8.270 nan 0.000 0.433 343 Y N -0.171 120.239 120.300 0.183 0.000 2.333 343 Y HA -0.117 4.519 4.550 0.143 0.000 0.290 343 Y C 1.624 177.639 175.900 0.192 0.000 1.144 343 Y CA 0.253 58.476 58.100 0.205 0.000 1.228 343 Y CB 0.172 38.729 38.460 0.161 0.000 0.985 343 Y HN 0.017 nan 8.280 nan 0.000 0.542 344 L N 0.658 122.063 121.223 0.303 0.000 2.737 344 L HA 0.016 4.442 4.340 0.144 0.000 0.236 344 L C 1.441 178.433 176.870 0.203 0.000 1.219 344 L CA -0.026 54.934 54.840 0.201 0.000 1.021 344 L CB -0.630 41.493 42.059 0.106 0.000 1.291 344 L HN 0.443 nan 8.230 nan 0.000 0.470 345 H N -1.984 117.172 119.070 0.143 0.000 2.543 345 H HA -0.011 4.632 4.556 0.144 0.000 0.286 345 H C 1.815 177.213 175.328 0.116 0.000 1.037 345 H CA 0.637 56.752 56.048 0.113 0.000 1.250 345 H CB 0.056 29.859 29.762 0.067 0.000 1.373 345 H HN 0.061 nan 8.280 nan 0.000 0.580 346 R N -0.656 119.664 120.500 -0.300 0.000 2.437 346 R HA 0.086 4.512 4.340 0.144 0.000 0.257 346 R C 0.748 177.044 176.300 -0.007 0.000 0.927 346 R CA -0.124 55.852 56.100 -0.208 0.000 1.078 346 R CB -0.408 29.666 30.300 -0.376 0.000 1.161 346 R HN 0.343 nan 8.270 nan 0.000 0.529 347 F N 1.934 121.857 119.950 -0.046 0.000 2.075 347 F HA -0.191 4.421 4.527 0.142 0.000 0.297 347 F C 2.195 178.075 175.800 0.133 0.000 1.113 347 F CA 1.838 59.870 58.000 0.054 0.000 1.218 347 F CB -0.122 38.947 39.000 0.115 0.000 0.984 347 F HN 0.057 nan 8.300 nan 0.000 0.472 348 A N 0.287 123.228 122.820 0.202 0.000 1.883 348 A HA -0.117 4.289 4.320 0.144 0.000 0.217 348 A C 2.392 179.974 177.584 -0.004 0.000 1.186 348 A CA 1.978 54.061 52.037 0.077 0.000 0.624 348 A CB -1.620 17.433 19.000 0.088 0.000 0.822 348 A HN 0.505 nan 8.150 nan 0.000 0.444 349 A N -1.671 121.147 122.820 -0.002 0.000 1.972 349 A HA -0.109 4.298 4.320 0.144 0.000 0.219 349 A C 2.112 179.619 177.584 -0.128 0.000 1.169 349 A CA 1.685 53.694 52.037 -0.045 0.000 0.635 349 A CB -0.772 18.207 19.000 -0.034 0.000 0.810 349 A HN 0.758 nan 8.150 nan 0.000 0.446 350 Y N -0.680 119.438 120.300 -0.304 0.000 2.145 350 Y HA -0.191 4.445 4.550 0.143 0.000 0.286 350 Y C 1.767 177.324 175.900 -0.572 0.000 1.145 350 Y CA 1.933 59.739 58.100 -0.489 0.000 1.148 350 Y CB -0.450 37.599 38.460 -0.684 0.000 0.981 350 Y HN 0.278 nan 8.280 nan 0.000 0.507 351 F N 0.172 119.888 119.950 -0.390 0.000 2.748 351 F HA -0.064 4.550 4.527 0.145 0.000 0.299 351 F C 2.500 178.112 175.800 -0.312 0.000 1.154 351 F CA 0.922 58.665 58.000 -0.428 0.000 1.446 351 F CB -0.237 38.491 39.000 -0.454 0.000 1.112 351 F HN 0.164 nan 8.300 nan 0.000 0.584 352 Q N 0.532 120.259 119.800 -0.123 0.000 2.119 352 Q HA -0.262 4.165 4.340 0.144 0.000 0.201 352 Q C 2.281 178.203 176.000 -0.130 0.000 0.972 352 Q CA 1.742 57.499 55.803 -0.075 0.000 0.847 352 Q CB -0.029 28.677 28.738 -0.053 0.000 0.903 352 Q HN 0.560 nan 8.270 nan 0.000 0.433 353 Q N -1.070 118.579 119.800 -0.252 0.000 2.061 353 Q HA -0.063 4.363 4.340 0.144 0.000 0.195 353 Q C 1.991 177.800 176.000 -0.319 0.000 0.967 353 Q CA 1.296 56.933 55.803 -0.277 0.000 0.829 353 Q CB -0.402 28.126 28.738 -0.350 0.000 0.900 353 Q HN 0.414 nan 8.270 nan 0.000 0.450 354 G N 0.987 109.472 108.800 -0.526 0.000 2.469 354 G HA2 -0.324 3.722 3.960 0.144 0.000 0.220 354 G HA3 -0.324 3.722 3.960 0.144 0.000 0.220 354 G C 1.248 176.062 174.900 -0.142 0.000 1.136 354 G CA 1.228 46.037 45.100 -0.484 0.000 0.759 354 G HN 0.467 nan 8.290 nan 0.000 0.562 355 D N -0.025 120.359 120.400 -0.027 0.000 2.214 355 D HA 0.045 4.771 4.640 0.144 0.000 0.217 355 D C 2.770 179.097 176.300 0.045 0.000 0.973 355 D CA 0.499 54.538 54.000 0.064 0.000 0.880 355 D CB -0.149 40.703 40.800 0.086 0.000 1.031 355 D HN 0.283 nan 8.370 nan 0.000 0.468 356 M N 0.441 120.046 119.600 0.009 0.000 2.159 356 M HA -0.095 4.471 4.480 0.144 0.000 0.263 356 M C 2.150 178.449 176.300 -0.002 0.000 1.063 356 M CA 1.177 56.483 55.300 0.011 0.000 1.110 356 M CB -0.175 32.422 32.600 -0.004 0.000 1.374 356 M HN 0.021 nan 8.290 nan 0.000 0.411 357 E N -0.173 120.005 120.200 -0.037 0.000 2.274 357 E HA -0.096 4.340 4.350 0.144 0.000 0.194 357 E C 1.707 178.306 176.600 -0.001 0.000 0.996 357 E CA 0.917 57.298 56.400 -0.031 0.000 0.840 357 E CB 0.294 29.951 29.700 -0.071 0.000 0.772 357 E HN 0.371 nan 8.360 nan 0.000 0.491 358 S N 0.779 116.482 115.700 0.005 0.000 2.356 358 S HA 0.003 4.560 4.470 0.144 0.000 0.219 358 S C 1.255 175.880 174.600 0.042 0.000 1.036 358 S CA 0.736 58.948 58.200 0.021 0.000 0.965 358 S CB 0.022 63.250 63.200 0.045 0.000 0.864 358 S HN 0.276 nan 8.310 nan 0.000 0.471 359 N N 1.032 119.789 118.700 0.096 0.000 2.235 359 N HA 0.182 5.009 4.740 0.144 0.000 0.209 359 N C 0.399 175.955 175.510 0.077 0.000 1.122 359 N CA 0.020 53.165 53.050 0.159 0.000 0.845 359 N CB 0.393 39.103 38.487 0.370 0.000 1.004 359 N HN 0.312 nan 8.380 nan 0.000 0.499 360 G N 0.923 109.753 108.800 0.050 0.000 3.343 360 G HA2 0.126 4.172 3.960 0.144 0.000 0.264 360 G HA3 0.126 4.172 3.960 0.144 0.000 0.264 360 G C 0.214 175.146 174.900 0.053 0.000 0.884 360 G CA -0.156 44.957 45.100 0.021 0.000 1.916 360 G HN -0.107 nan 8.290 nan 0.000 0.618 361 K N 0.341 120.774 120.400 0.056 0.000 2.400 361 K HA 0.357 4.763 4.320 0.144 0.000 0.246 361 K C -0.416 176.266 176.600 0.137 0.000 0.995 361 K CA -1.027 55.334 56.287 0.123 0.000 0.840 361 K CB 1.887 34.446 32.500 0.099 0.000 1.293 361 K HN 0.411 nan 8.250 nan 0.000 0.445 362 Y N -1.535 118.738 120.300 -0.045 0.000 2.666 362 Y HA 0.425 5.061 4.550 0.143 0.000 0.260 362 Y C -0.230 175.629 175.900 -0.069 0.000 1.089 362 Y CA -0.579 57.467 58.100 -0.090 0.000 1.246 362 Y CB 0.854 39.261 38.460 -0.088 0.000 1.353 362 Y HN 0.145 nan 8.280 nan 0.000 0.558 363 I N 3.227 123.527 120.570 -0.450 0.000 2.378 363 I HA 0.261 4.517 4.170 0.144 0.000 0.291 363 I C 0.593 176.622 176.117 -0.147 0.000 0.992 363 I CA -0.706 60.352 61.300 -0.402 0.000 1.154 363 I CB 1.616 39.338 38.000 -0.464 0.000 1.315 363 I HN 0.326 nan 8.210 nan 0.000 0.448 364 T N 2.784 117.282 114.554 -0.094 0.000 2.754 364 T HA 0.269 4.705 4.350 0.144 0.000 0.286 364 T C 1.102 175.806 174.700 0.008 0.000 0.997 364 T CA -0.475 61.620 62.100 -0.009 0.000 0.982 364 T CB 1.170 70.046 68.868 0.013 0.000 1.027 364 T HN 0.536 nan 8.240 nan 0.000 0.529 365 K N 0.391 120.817 120.400 0.042 0.000 2.280 365 K HA -0.064 4.342 4.320 0.144 0.000 0.202 365 K C 2.346 178.966 176.600 0.033 0.000 1.047 365 K CA 1.387 57.706 56.287 0.054 0.000 0.942 365 K CB -0.254 32.289 32.500 0.072 0.000 0.739 365 K HN 0.766 nan 8.250 nan 0.000 0.457 366 S N -0.767 114.944 115.700 0.018 0.000 2.593 366 S HA 0.127 4.683 4.470 0.144 0.000 0.217 366 S C 1.315 175.908 174.600 -0.011 0.000 0.966 366 S CA 0.361 58.566 58.200 0.008 0.000 0.914 366 S CB 0.392 63.598 63.200 0.010 0.000 0.776 366 S HN 0.406 nan 8.310 nan 0.000 0.523 367 G N 0.546 109.330 108.800 -0.027 0.000 2.157 367 G HA2 -0.081 3.965 3.960 0.144 0.000 0.248 367 G HA3 -0.081 3.965 3.960 0.144 0.000 0.248 367 G C 0.191 175.046 174.900 -0.075 0.000 0.979 367 G CA -0.108 44.958 45.100 -0.057 0.000 0.650 367 G HN 1.245 nan 8.290 nan 0.000 0.529 368 A N -0.127 122.655 122.820 -0.063 0.000 2.304 368 A HA 0.788 5.194 4.320 0.144 0.000 0.301 368 A C 0.662 178.182 177.584 -0.107 0.000 1.132 368 A CA -0.031 51.968 52.037 -0.064 0.000 0.819 368 A CB 0.551 19.532 19.000 -0.031 0.000 1.094 368 A HN 0.629 nan 8.150 nan 0.000 0.492 369 R N 1.503 121.943 120.500 -0.100 0.000 2.389 369 R HA 0.365 4.791 4.340 0.144 0.000 0.295 369 R C 0.140 176.375 176.300 -0.110 0.000 1.075 369 R CA -0.265 55.765 56.100 -0.116 0.000 1.005 369 R CB 0.307 30.592 30.300 -0.026 0.000 0.987 369 R HN 0.752 nan 8.270 nan 0.000 0.452 370 V N 1.541 121.353 119.914 -0.171 0.000 2.999 370 V HA 0.088 4.294 4.120 0.144 0.000 0.307 370 V C 0.132 176.053 176.094 -0.289 0.000 1.084 370 V CA -0.120 61.970 62.300 -0.351 0.000 1.155 370 V CB 1.184 32.642 31.823 -0.608 0.000 0.975 370 V HN 0.967 nan 8.190 nan 0.000 0.490 371 D N 0.809 121.013 120.400 -0.328 0.000 2.804 371 D HA 0.264 4.990 4.640 0.144 0.000 0.308 371 D C -0.137 176.137 176.300 -0.043 0.000 1.371 371 D CA 0.036 53.968 54.000 -0.114 0.000 0.823 371 D CB -0.494 40.305 40.800 -0.002 0.000 1.126 371 D HN 1.071 nan 8.370 nan 0.000 0.467 372 H N -3.537 115.521 119.070 -0.019 0.000 3.014 372 H HA 0.491 5.134 4.556 0.144 0.000 0.337 372 H C -0.753 174.507 175.328 -0.114 0.000 1.320 372 H CA -0.962 55.074 56.048 -0.019 0.000 1.128 372 H CB 0.365 30.124 29.762 -0.005 0.000 1.862 372 H HN -0.286 nan 8.280 nan 0.000 0.536 373 Q N 0.831 120.685 119.800 0.089 0.000 2.392 373 Q HA 0.303 4.729 4.340 0.144 0.000 0.262 373 Q C 0.310 176.065 176.000 -0.408 0.000 1.003 373 Q CA 0.774 56.521 55.803 -0.093 0.000 0.888 373 Q CB 1.482 30.209 28.738 -0.018 0.000 1.260 373 Q HN 0.984 nan 8.270 nan 0.000 0.435 374 T N -2.512 111.664 114.554 -0.630 0.000 2.664 374 T HA 0.543 4.979 4.350 0.144 0.000 0.232 374 T C 0.566 174.647 174.700 -1.033 0.000 0.958 374 T CA -0.271 61.011 62.100 -1.363 0.000 1.095 374 T CB -0.344 68.075 68.868 -0.748 0.000 1.938 374 T HN 0.598 nan 8.240 nan 0.000 0.536 375 G N 3.241 111.688 108.800 -0.589 0.000 2.257 375 G HA2 0.425 4.471 3.960 0.144 0.000 0.235 375 G HA3 0.425 4.471 3.960 0.144 0.000 0.235 375 G C -2.158 172.748 174.900 0.009 0.000 1.225 375 G CA -0.556 44.515 45.100 -0.047 0.000 0.878 375 G HN 0.709 nan 8.290 nan 0.000 0.505 376 P HA 0.414 nan 4.420 nan 0.000 0.284 376 P C -0.269 177.091 177.300 0.101 0.000 1.287 376 P CA -0.840 62.331 63.100 0.118 0.000 0.824 376 P CB 1.609 33.419 31.700 0.184 0.000 1.180 377 I N 0.634 121.264 120.570 0.101 0.000 2.337 377 I HA 0.141 4.397 4.170 0.144 0.000 0.291 377 I C 0.296 176.536 176.117 0.204 0.000 1.046 377 I CA -0.597 60.765 61.300 0.103 0.000 1.324 377 I CB 0.932 38.961 38.000 0.049 0.000 1.409 377 I HN -0.028 nan 8.210 nan 0.000 0.494 378 V N 7.490 127.503 119.914 0.166 0.000 2.481 378 V HA 0.487 4.693 4.120 0.144 0.000 0.286 378 V C -0.354 175.889 176.094 0.248 0.000 1.042 378 V CA -0.250 62.145 62.300 0.158 0.000 0.928 378 V CB 1.274 33.127 31.823 0.051 0.000 0.986 378 V HN 0.826 nan 8.190 nan 0.000 0.462 379 W N 2.590 123.852 121.300 -0.063 0.000 2.989 379 W HA 0.801 5.549 4.660 0.147 0.000 0.344 379 W C -0.345 176.122 176.519 -0.087 0.000 1.233 379 W CA -0.602 56.690 57.345 -0.089 0.000 1.187 379 W CB 1.153 30.529 29.460 -0.140 0.000 1.443 379 W HN 1.074 nan 8.180 nan 0.000 0.573 380 G N 0.866 109.620 108.800 -0.077 0.000 2.350 380 G HA2 0.356 4.402 3.960 0.144 0.000 0.305 380 G HA3 0.356 4.402 3.960 0.144 0.000 0.305 380 G C -2.046 172.913 174.900 0.097 0.000 1.479 380 G CA -0.912 44.052 45.100 -0.228 0.000 0.949 380 G HN 0.526 nan 8.290 nan 0.000 0.651 381 E N 0.096 120.455 120.200 0.265 0.000 2.367 381 E HA 0.567 5.003 4.350 0.144 0.000 0.273 381 E C -2.522 174.197 176.600 0.198 0.000 0.903 381 E CA -1.463 55.110 56.400 0.289 0.000 0.764 381 E CB 2.653 32.610 29.700 0.427 0.000 1.252 381 E HN 0.327 nan 8.360 nan 0.000 0.446 382 P HA 0.038 nan 4.420 nan 0.000 0.269 382 P C 0.170 177.385 177.300 -0.141 0.000 1.217 382 P CA -0.096 63.031 63.100 0.044 0.000 0.783 382 P CB 0.340 32.084 31.700 0.074 0.000 0.898 383 G N 0.199 108.767 108.800 -0.386 0.000 2.441 383 G HA2 0.356 4.402 3.960 0.144 0.000 0.243 383 G HA3 0.356 4.402 3.960 0.144 0.000 0.243 383 G C 0.683 175.077 174.900 -0.845 0.000 1.281 383 G CA 0.654 44.959 45.100 -1.326 0.000 0.854 383 G HN 0.892 nan 8.290 nan 0.000 0.560 384 T N -0.712 113.379 114.554 -0.773 0.000 8.104 384 T HA -0.287 4.150 4.350 0.144 0.000 0.307 384 T C 1.378 175.984 174.700 -0.157 0.000 2.074 384 T CA 1.580 63.520 62.100 -0.266 0.000 3.441 384 T CB -1.778 67.017 68.868 -0.122 0.000 1.575 384 T HN 0.553 nan 8.240 nan 0.000 0.821 385 N N 1.540 120.100 118.700 -0.233 0.000 2.251 385 N HA 0.357 5.183 4.740 0.144 0.000 0.181 385 N C 2.309 177.668 175.510 -0.251 0.000 1.019 385 N CA 1.366 54.315 53.050 -0.168 0.000 0.862 385 N CB -0.780 37.634 38.487 -0.122 0.000 0.992 385 N HN 0.670 nan 8.380 nan 0.000 0.429 386 G N 0.754 109.286 108.800 -0.447 0.000 2.442 386 G HA2 -0.295 3.751 3.960 0.144 0.000 0.219 386 G HA3 -0.295 3.751 3.960 0.144 0.000 0.219 386 G C 1.329 175.490 174.900 -1.232 0.000 1.141 386 G CA 0.651 45.199 45.100 -0.921 0.000 0.763 386 G HN 0.324 nan 8.290 nan 0.000 0.554 387 Q N -0.505 118.497 119.800 -1.330 0.000 2.248 387 Q HA -0.111 4.315 4.340 0.144 0.000 0.208 387 Q C 1.685 177.330 176.000 -0.591 0.000 0.984 387 Q CA 1.167 56.300 55.803 -1.117 0.000 0.875 387 Q CB -0.120 28.197 28.738 -0.702 0.000 0.910 387 Q HN 0.680 nan 8.270 nan 0.000 0.433 388 H N -2.319 116.538 119.070 -0.356 0.000 2.549 388 H HA 0.367 5.009 4.556 0.143 0.000 0.279 388 H C 0.819 176.068 175.328 -0.132 0.000 1.018 388 H CA 0.450 56.391 56.048 -0.177 0.000 1.175 388 H CB 0.821 30.500 29.762 -0.139 0.000 1.485 388 H HN 0.247 nan 8.280 nan 0.000 0.543 389 A N 0.650 123.401 122.820 -0.115 0.000 1.989 389 A HA 0.119 4.525 4.320 0.144 0.000 0.201 389 A C 1.094 178.757 177.584 0.131 0.000 1.720 389 A CA 0.015 52.051 52.037 -0.001 0.000 0.956 389 A CB -0.168 18.849 19.000 0.028 0.000 1.094 389 A HN 0.225 nan 8.150 nan 0.000 0.561 390 F N -3.657 116.450 119.950 0.261 0.000 2.798 390 F HA 0.464 5.077 4.527 0.143 0.000 0.328 390 F C 1.192 177.246 175.800 0.423 0.000 1.098 390 F CA -0.749 57.441 58.000 0.316 0.000 1.172 390 F CB -0.146 39.067 39.000 0.355 0.000 1.072 390 F HN 0.066 nan 8.300 nan 0.000 0.555 391 Y N 1.866 122.202 120.300 0.059 0.000 2.315 391 Y HA -0.184 4.452 4.550 0.143 0.000 0.288 391 Y C 2.697 178.779 175.900 0.303 0.000 1.154 391 Y CA 1.428 59.654 58.100 0.210 0.000 1.229 391 Y CB -0.954 37.606 38.460 0.167 0.000 0.980 391 Y HN 0.322 nan 8.280 nan 0.000 0.540 392 Q N 0.646 120.680 119.800 0.390 0.000 2.077 392 Q HA -0.224 4.202 4.340 0.144 0.000 0.206 392 Q C 2.208 178.358 176.000 0.250 0.000 0.989 392 Q CA 2.011 57.986 55.803 0.285 0.000 0.853 392 Q CB -0.809 28.038 28.738 0.182 0.000 0.907 392 Q HN 0.622 nan 8.270 nan 0.000 0.418 393 L N -0.711 120.662 121.223 0.250 0.000 2.109 393 L HA -0.029 4.397 4.340 0.144 0.000 0.207 393 L C 2.124 179.096 176.870 0.170 0.000 1.086 393 L CA 0.937 55.887 54.840 0.182 0.000 0.760 393 L CB -0.120 42.039 42.059 0.168 0.000 0.910 393 L HN 0.346 nan 8.230 nan 0.000 0.437 394 I N -1.102 119.590 120.570 0.204 0.000 2.315 394 I HA -0.283 3.973 4.170 0.144 0.000 0.248 394 I C 2.340 178.463 176.117 0.011 0.000 1.117 394 I CA 0.865 62.211 61.300 0.077 0.000 1.404 394 I CB -0.543 37.432 38.000 -0.043 0.000 1.071 394 I HN 0.354 nan 8.210 nan 0.000 0.419 395 H N 0.649 119.814 119.070 0.158 0.000 2.384 395 H HA 0.062 4.704 4.556 0.144 0.000 0.300 395 H C 1.088 176.457 175.328 0.068 0.000 1.057 395 H CA 1.111 57.266 56.048 0.178 0.000 1.370 395 H CB 0.254 30.209 29.762 0.323 0.000 1.417 395 H HN 0.442 nan 8.280 nan 0.000 0.527 396 Q N 0.215 120.096 119.800 0.135 0.000 2.115 396 Q HA 0.260 4.686 4.340 0.144 0.000 0.249 396 Q C 0.600 176.610 176.000 0.016 0.000 0.830 396 Q CA -0.367 55.431 55.803 -0.009 0.000 1.104 396 Q CB 1.901 30.548 28.738 -0.152 0.000 1.207 396 Q HN 0.201 nan 8.270 nan 0.000 0.464 397 G N 0.414 109.244 108.800 0.050 0.000 2.543 397 G HA2 0.213 4.260 3.960 0.144 0.000 0.267 397 G HA3 0.213 4.260 3.960 0.144 0.000 0.267 397 G C 0.640 175.555 174.900 0.025 0.000 1.406 397 G CA -0.017 45.107 45.100 0.040 0.000 1.048 397 G HN 0.186 nan 8.290 nan 0.000 0.548 398 T N -2.636 111.930 114.554 0.021 0.000 3.174 398 T HA 0.422 4.858 4.350 0.144 0.000 0.269 398 T C 0.177 174.889 174.700 0.020 0.000 1.017 398 T CA -0.270 61.840 62.100 0.017 0.000 0.899 398 T CB 0.160 69.034 68.868 0.010 0.000 1.077 398 T HN 0.170 nan 8.240 nan 0.000 0.552 399 K N 1.551 121.965 120.400 0.023 0.000 2.270 399 K HA 0.587 4.994 4.320 0.144 0.000 0.255 399 K C -0.760 175.854 176.600 0.024 0.000 0.936 399 K CA -0.662 55.639 56.287 0.024 0.000 0.809 399 K CB 2.092 34.603 32.500 0.017 0.000 1.131 399 K HN 0.258 nan 8.250 nan 0.000 0.427 400 M N 4.644 124.254 119.600 0.017 0.000 2.146 400 M HA 0.418 4.985 4.480 0.144 0.000 0.357 400 M C -1.230 175.054 176.300 -0.027 0.000 1.261 400 M CA -0.115 55.170 55.300 -0.025 0.000 1.106 400 M CB 0.269 32.844 32.600 -0.041 0.000 1.612 400 M HN 0.564 nan 8.290 nan 0.000 0.470 401 I N 7.681 128.221 120.570 -0.049 0.000 2.493 401 I HA 0.371 4.627 4.170 0.144 0.000 0.279 401 I C -2.329 173.724 176.117 -0.106 0.000 1.045 401 I CA -1.958 59.337 61.300 -0.008 0.000 1.106 401 I CB 1.516 39.589 38.000 0.120 0.000 1.216 401 I HN 0.492 nan 8.210 nan 0.000 0.459 402 P HA 0.096 nan 4.420 nan 0.000 0.267 402 P C -0.919 176.328 177.300 -0.088 0.000 1.205 402 P CA -0.054 62.901 63.100 -0.242 0.000 0.765 402 P CB 0.461 32.003 31.700 -0.263 0.000 0.828 403 C N 2.786 122.069 119.300 -0.029 0.000 2.498 403 C HA 0.419 4.965 4.460 0.144 0.000 0.316 403 C C -0.333 174.733 174.990 0.127 0.000 1.209 403 C CA -0.333 58.674 59.018 -0.019 0.000 1.518 403 C CB 1.399 29.141 27.740 0.003 0.000 2.147 403 C HN 0.487 nan 8.230 nan 0.000 0.483 404 D N 1.581 122.021 120.400 0.066 0.000 2.349 404 D HA 0.503 5.229 4.640 0.144 0.000 0.232 404 D C -0.853 175.554 176.300 0.178 0.000 1.071 404 D CA 0.017 54.147 54.000 0.218 0.000 0.832 404 D CB 0.623 41.578 40.800 0.258 0.000 1.086 404 D HN 0.267 nan 8.370 nan 0.000 0.504 405 F N 2.456 122.508 119.950 0.170 0.000 2.404 405 F HA 0.436 5.047 4.527 0.141 0.000 0.354 405 F C -0.136 175.960 175.800 0.494 0.000 1.122 405 F CA -0.670 57.471 58.000 0.235 0.000 1.080 405 F CB 0.767 39.660 39.000 -0.179 0.000 1.131 405 F HN 0.059 nan 8.300 nan 0.000 0.471 406 L N 5.113 126.720 121.223 0.641 0.000 2.354 406 L HA 0.732 5.158 4.340 0.144 0.000 0.269 406 L C -0.764 176.233 176.870 0.213 0.000 1.005 406 L CA -0.638 54.489 54.840 0.478 0.000 0.819 406 L CB 2.316 44.636 42.059 0.435 0.000 1.311 406 L HN 0.580 nan 8.230 nan 0.000 0.423 407 I N 2.209 122.590 120.570 -0.316 0.000 2.746 407 I HA 0.422 4.678 4.170 0.144 0.000 0.290 407 I C -2.911 172.517 176.117 -1.149 0.000 1.600 407 I CA -1.330 59.609 61.300 -0.601 0.000 1.019 407 I CB 3.229 40.706 38.000 -0.872 0.000 1.426 407 I HN 0.407 nan 8.210 nan 0.000 0.460 408 P HA 0.204 nan 4.420 nan 0.000 0.294 408 P C 0.387 177.570 177.300 -0.196 0.000 1.294 408 P CA -0.276 62.453 63.100 -0.617 0.000 0.827 408 P CB 2.318 33.994 31.700 -0.040 0.000 0.992 409 V N 2.656 122.470 119.914 -0.167 0.000 2.343 409 V HA -0.181 4.026 4.120 0.144 0.000 0.247 409 V C 1.314 177.468 176.094 0.101 0.000 1.051 409 V CA 1.807 64.093 62.300 -0.023 0.000 1.036 409 V CB -0.899 30.898 31.823 -0.043 0.000 0.654 409 V HN 0.601 nan 8.190 nan 0.000 0.451 410 Q N -0.123 119.678 119.800 0.001 0.000 2.290 410 Q HA 0.381 4.807 4.340 0.144 0.000 0.259 410 Q C -0.070 175.788 176.000 -0.237 0.000 0.941 410 Q CA -0.100 55.646 55.803 -0.095 0.000 0.912 410 Q CB 1.826 30.543 28.738 -0.036 0.000 1.244 410 Q HN 0.360 nan 8.270 nan 0.000 0.441 411 T N 0.970 115.213 114.554 -0.518 0.000 2.922 411 T HA 0.068 4.504 4.350 0.144 0.000 0.285 411 T C 0.959 175.528 174.700 -0.217 0.000 1.005 411 T CA -0.426 61.392 62.100 -0.471 0.000 1.061 411 T CB 0.916 69.370 68.868 -0.690 0.000 1.007 411 T HN 0.504 nan 8.240 nan 0.000 0.502 412 Q N 1.366 121.081 119.800 -0.141 0.000 2.378 412 Q HA 0.017 4.443 4.340 0.144 0.000 0.205 412 Q C -0.015 175.657 176.000 -0.546 0.000 0.954 412 Q CA 1.097 56.728 55.803 -0.286 0.000 0.901 412 Q CB 0.103 28.709 28.738 -0.220 0.000 0.981 412 Q HN 0.638 nan 8.270 nan 0.000 0.483 413 H N 0.451 119.503 119.070 -0.030 0.000 2.448 413 H HA 0.199 4.842 4.556 0.145 0.000 0.237 413 H C -2.091 173.196 175.328 -0.068 0.000 1.391 413 H CA -1.733 54.288 56.048 -0.046 0.000 1.477 413 H CB 1.077 30.814 29.762 -0.041 0.000 1.520 413 H HN 0.023 nan 8.280 nan 0.000 0.502 414 P HA 0.058 nan 4.420 nan 0.000 0.225 414 P C 0.730 178.038 177.300 0.013 0.000 1.768 414 P CA -0.142 62.955 63.100 -0.004 0.000 0.943 414 P CB -0.745 30.937 31.700 -0.029 0.000 1.936 415 I N -2.972 117.599 120.570 0.002 0.000 3.060 415 I HA 0.239 4.495 4.170 0.144 0.000 0.285 415 I C 0.778 176.895 176.117 -0.000 0.000 1.190 415 I CA -0.651 60.629 61.300 -0.034 0.000 1.363 415 I CB 0.117 38.036 38.000 -0.134 0.000 1.396 415 I HN -0.058 nan 8.210 nan 0.000 0.607 416 R N 2.110 122.614 120.500 0.007 0.000 3.516 416 R HA -0.201 4.226 4.340 0.144 0.000 0.271 416 R C 0.014 176.348 176.300 0.056 0.000 1.098 416 R CA 1.028 57.158 56.100 0.049 0.000 0.732 416 R CB -1.993 28.380 30.300 0.123 0.000 1.152 416 R HN 0.950 nan 8.270 nan 0.000 0.455 417 K N -1.584 118.837 120.400 0.036 0.000 3.071 417 K HA -0.282 4.125 4.320 0.144 0.000 0.265 417 K C 0.798 177.427 176.600 0.048 0.000 1.060 417 K CA 1.084 57.391 56.287 0.033 0.000 0.767 417 K CB -1.702 30.814 32.500 0.027 0.000 1.241 417 K HN 0.869 nan 8.250 nan 0.000 0.486 418 G N -0.042 108.798 108.800 0.066 0.000 2.159 418 G HA2 -0.339 3.707 3.960 0.144 0.000 0.256 418 G HA3 -0.339 3.707 3.960 0.144 0.000 0.256 418 G C 0.559 175.537 174.900 0.130 0.000 0.977 418 G CA 0.239 45.398 45.100 0.098 0.000 0.652 418 G HN 0.289 nan 8.290 nan 0.000 0.531 419 L N 0.497 121.799 121.223 0.131 0.000 2.012 419 L HA -0.081 4.345 4.340 0.144 0.000 0.210 419 L C 2.420 179.371 176.870 0.135 0.000 1.073 419 L CA 2.960 57.871 54.840 0.118 0.000 0.748 419 L CB -1.079 41.050 42.059 0.117 0.000 0.891 419 L HN 0.580 nan 8.230 nan 0.000 0.431 420 H N -1.694 117.410 119.070 0.057 0.000 2.321 420 H HA -0.227 4.415 4.556 0.143 0.000 0.300 420 H C 2.197 177.583 175.328 0.098 0.000 1.087 420 H CA 1.933 58.019 56.048 0.064 0.000 1.319 420 H CB 0.008 29.806 29.762 0.060 0.000 1.379 420 H HN 0.497 nan 8.280 nan 0.000 0.501 421 H N 1.092 120.251 119.070 0.148 0.000 2.423 421 H HA -0.067 4.574 4.556 0.142 0.000 0.297 421 H C 2.399 177.757 175.328 0.050 0.000 1.075 421 H CA 1.582 57.681 56.048 0.084 0.000 1.342 421 H CB 0.122 29.918 29.762 0.056 0.000 1.395 421 H HN 0.179 nan 8.280 nan 0.000 0.530 422 K N 0.108 120.547 120.400 0.065 0.000 2.057 422 K HA -0.108 4.298 4.320 0.144 0.000 0.207 422 K C 1.981 178.559 176.600 -0.037 0.000 1.049 422 K CA 1.724 58.007 56.287 -0.007 0.000 0.931 422 K CB -0.129 32.383 32.500 0.020 0.000 0.714 422 K HN 0.326 nan 8.250 nan 0.000 0.440 423 I N 0.869 121.428 120.570 -0.018 0.000 2.252 423 I HA -0.245 4.011 4.170 0.144 0.000 0.245 423 I C 2.280 178.400 176.117 0.004 0.000 1.102 423 I CA 0.421 61.709 61.300 -0.020 0.000 1.385 423 I CB -0.191 37.781 38.000 -0.047 0.000 1.064 423 I HN 0.204 nan 8.210 nan 0.000 0.414 424 L N 0.830 122.052 121.223 -0.002 0.000 2.012 424 L HA -0.203 4.224 4.340 0.144 0.000 0.210 424 L C 2.331 179.229 176.870 0.045 0.000 1.073 424 L CA 1.899 56.776 54.840 0.060 0.000 0.748 424 L CB -0.480 41.586 42.059 0.011 0.000 0.891 424 L HN 0.124 nan 8.230 nan 0.000 0.431 425 L N -0.858 120.278 121.223 -0.145 0.000 2.046 425 L HA -0.203 4.223 4.340 0.144 0.000 0.208 425 L C 2.656 179.526 176.870 0.001 0.000 1.077 425 L CA 1.221 55.979 54.840 -0.137 0.000 0.747 425 L CB -0.910 41.014 42.059 -0.224 0.000 0.896 425 L HN 0.382 nan 8.230 nan 0.000 0.432 426 A N -0.052 122.762 122.820 -0.011 0.000 1.933 426 A HA -0.212 4.194 4.320 0.144 0.000 0.218 426 A C 2.106 179.698 177.584 0.014 0.000 1.175 426 A CA 1.829 53.862 52.037 -0.007 0.000 0.628 426 A CB -0.556 18.433 19.000 -0.018 0.000 0.814 426 A HN 0.463 nan 8.150 nan 0.000 0.444 427 N N -1.252 117.492 118.700 0.074 0.000 2.171 427 N HA -0.118 4.708 4.740 0.144 0.000 0.184 427 N C 1.597 177.155 175.510 0.080 0.000 1.021 427 N CA 1.478 54.607 53.050 0.131 0.000 0.854 427 N CB -0.407 38.239 38.487 0.265 0.000 0.994 427 N HN 0.549 nan 8.380 nan 0.000 0.426 428 F N 2.368 122.201 119.950 -0.196 0.000 2.065 428 F HA -0.168 4.443 4.527 0.141 0.000 0.298 428 F C 2.155 177.718 175.800 -0.393 0.000 1.112 428 F CA 1.360 59.006 58.000 -0.591 0.000 1.212 428 F CB -0.445 38.228 39.000 -0.545 0.000 0.975 428 F HN -0.088 nan 8.300 nan 0.000 0.476 429 L N 0.074 121.218 121.223 -0.131 0.000 2.027 429 L HA -0.160 4.266 4.340 0.144 0.000 0.206 429 L C 2.859 179.556 176.870 -0.289 0.000 1.074 429 L CA 1.208 55.913 54.840 -0.225 0.000 0.745 429 L CB -1.345 40.678 42.059 -0.059 0.000 0.898 429 L HN 0.261 nan 8.230 nan 0.000 0.433 430 A N -0.806 121.903 122.820 -0.185 0.000 1.933 430 A HA -0.208 4.198 4.320 0.144 0.000 0.218 430 A C 2.298 179.778 177.584 -0.174 0.000 1.175 430 A CA 1.300 53.241 52.037 -0.159 0.000 0.628 430 A CB -0.352 18.591 19.000 -0.094 0.000 0.814 430 A HN 0.393 nan 8.150 nan 0.000 0.444 431 Q N -0.376 119.315 119.800 -0.181 0.000 2.046 431 Q HA -0.139 4.287 4.340 0.144 0.000 0.200 431 Q C 2.461 178.263 176.000 -0.330 0.000 0.975 431 Q CA 2.287 58.029 55.803 -0.100 0.000 0.836 431 Q CB -1.067 27.747 28.738 0.127 0.000 0.896 431 Q HN 0.876 nan 8.270 nan 0.000 0.428 432 T N -1.624 112.508 114.554 -0.703 0.000 2.867 432 T HA -0.141 4.295 4.350 0.144 0.000 0.268 432 T C 1.719 176.194 174.700 -0.374 0.000 1.057 432 T CA 1.394 63.090 62.100 -0.674 0.000 1.136 432 T CB -0.082 68.286 68.868 -0.833 0.000 0.874 432 T HN 0.378 nan 8.240 nan 0.000 0.466 433 E N 1.552 121.551 120.200 -0.334 0.000 2.077 433 E HA -0.074 4.362 4.350 0.144 0.000 0.193 433 E C 2.449 178.934 176.600 -0.191 0.000 0.989 433 E CA 1.028 57.268 56.400 -0.267 0.000 0.800 433 E CB -0.520 29.035 29.700 -0.243 0.000 0.746 433 E HN 0.634 nan 8.360 nan 0.000 0.452 434 A N 1.123 123.857 122.820 -0.144 0.000 1.877 434 A HA -0.142 4.264 4.320 0.144 0.000 0.216 434 A C 2.233 179.839 177.584 0.036 0.000 1.186 434 A CA 1.203 53.190 52.037 -0.085 0.000 0.620 434 A CB -0.729 18.224 19.000 -0.078 0.000 0.822 434 A HN 0.336 nan 8.150 nan 0.000 0.443 435 L N -1.072 120.191 121.223 0.066 0.000 2.083 435 L HA -0.202 4.224 4.340 0.144 0.000 0.209 435 L C 2.849 179.726 176.870 0.012 0.000 1.083 435 L CA 1.518 56.387 54.840 0.049 0.000 0.752 435 L CB -0.380 41.622 42.059 -0.094 0.000 0.899 435 L HN 0.519 nan 8.230 nan 0.000 0.433 436 M N 0.042 119.610 119.600 -0.054 0.000 2.134 436 M HA -0.172 4.395 4.480 0.144 0.000 0.262 436 M C 2.258 178.542 176.300 -0.026 0.000 1.076 436 M CA 1.808 57.079 55.300 -0.048 0.000 1.143 436 M CB -0.303 32.209 32.600 -0.145 0.000 1.346 436 M HN 0.099 nan 8.290 nan 0.000 0.421 437 K N -0.423 119.936 120.400 -0.068 0.000 2.031 437 K HA 0.052 4.459 4.320 0.144 0.000 0.205 437 K C 1.016 177.616 176.600 0.001 0.000 1.049 437 K CA 1.204 57.461 56.287 -0.051 0.000 0.939 437 K CB -0.274 32.165 32.500 -0.103 0.000 0.717 437 K HN 0.579 nan 8.250 nan 0.000 0.438 438 G N 0.995 109.802 108.800 0.011 0.000 2.645 438 G HA2 -0.323 3.723 3.960 0.144 0.000 0.246 438 G HA3 -0.323 3.723 3.960 0.144 0.000 0.246 438 G C -0.847 174.071 174.900 0.030 0.000 1.322 438 G CA 0.237 45.390 45.100 0.088 0.000 0.898 438 G HN 0.381 nan 8.290 nan 0.000 0.573 439 K N -0.233 120.243 120.400 0.127 0.000 2.656 439 K HA 0.528 4.934 4.320 0.144 0.000 0.253 439 K C 0.498 177.169 176.600 0.118 0.000 1.002 439 K CA 0.109 56.449 56.287 0.088 0.000 0.880 439 K CB 0.998 33.545 32.500 0.079 0.000 1.232 439 K HN 1.285 nan 8.250 nan 0.000 0.456 440 S N 2.083 117.825 115.700 0.070 0.000 2.589 440 S HA 0.048 4.604 4.470 0.144 0.000 0.265 440 S C 1.146 175.777 174.600 0.052 0.000 1.342 440 S CA -0.018 58.217 58.200 0.058 0.000 1.005 440 S CB 1.118 64.343 63.200 0.040 0.000 0.909 440 S HN 0.584 nan 8.310 nan 0.000 0.555 441 T N 0.971 115.547 114.554 0.037 0.000 2.720 441 T HA -0.134 4.303 4.350 0.144 0.000 0.268 441 T C 1.713 176.428 174.700 0.025 0.000 1.037 441 T CA 2.016 64.132 62.100 0.027 0.000 1.144 441 T CB -0.575 68.301 68.868 0.013 0.000 0.864 441 T HN 0.807 nan 8.240 nan 0.000 0.444 442 E N 1.252 121.465 120.200 0.022 0.000 2.072 442 E HA -0.115 4.321 4.350 0.144 0.000 0.191 442 E C 2.155 178.767 176.600 0.019 0.000 0.985 442 E CA 1.377 57.787 56.400 0.018 0.000 0.801 442 E CB -0.158 29.551 29.700 0.015 0.000 0.750 442 E HN 0.584 nan 8.360 nan 0.000 0.452 443 E N -0.160 120.053 120.200 0.022 0.000 2.077 443 E HA -0.172 4.264 4.350 0.144 0.000 0.193 443 E C 2.039 178.653 176.600 0.024 0.000 0.989 443 E CA 1.018 57.428 56.400 0.018 0.000 0.800 443 E CB -0.229 29.481 29.700 0.016 0.000 0.746 443 E HN 0.351 nan 8.360 nan 0.000 0.452 444 A N 1.593 124.435 122.820 0.038 0.000 1.969 444 A HA -0.165 4.241 4.320 0.144 0.000 0.218 444 A C 2.111 179.716 177.584 0.034 0.000 1.169 444 A CA 1.201 53.266 52.037 0.047 0.000 0.635 444 A CB -0.387 18.654 19.000 0.069 0.000 0.810 444 A HN 0.067 nan 8.150 nan 0.000 0.445 445 R N 0.051 120.566 120.500 0.026 0.000 2.075 445 R HA -0.109 4.318 4.340 0.144 0.000 0.232 445 R C 1.991 178.301 176.300 0.016 0.000 1.126 445 R CA 1.676 57.788 56.100 0.020 0.000 0.963 445 R CB -0.239 30.070 30.300 0.015 0.000 0.858 445 R HN 0.492 nan 8.270 nan 0.000 0.435 446 K N 0.364 120.772 120.400 0.014 0.000 2.063 446 K HA -0.169 4.238 4.320 0.144 0.000 0.208 446 K C 2.038 178.643 176.600 0.009 0.000 1.048 446 K CA 1.893 58.185 56.287 0.009 0.000 0.928 446 K CB -0.074 32.430 32.500 0.006 0.000 0.713 446 K HN 0.362 nan 8.250 nan 0.000 0.442 447 E N 0.882 121.088 120.200 0.011 0.000 2.051 447 E HA -0.178 4.258 4.350 0.144 0.000 0.192 447 E C 2.131 178.738 176.600 0.013 0.000 0.991 447 E CA 1.007 57.413 56.400 0.010 0.000 0.799 447 E CB -0.114 29.594 29.700 0.013 0.000 0.748 447 E HN 0.236 nan 8.360 nan 0.000 0.449 448 L N 0.677 121.912 121.223 0.019 0.000 2.046 448 L HA -0.221 4.205 4.340 0.144 0.000 0.208 448 L C 2.719 179.597 176.870 0.014 0.000 1.077 448 L CA 0.996 55.847 54.840 0.019 0.000 0.747 448 L CB -0.254 41.820 42.059 0.025 0.000 0.896 448 L HN 0.142 nan 8.230 nan 0.000 0.432 449 Q N 0.422 120.229 119.800 0.012 0.000 2.167 449 Q HA -0.139 4.287 4.340 0.144 0.000 0.202 449 Q C 2.068 178.072 176.000 0.006 0.000 0.970 449 Q CA 1.838 57.646 55.803 0.009 0.000 0.855 449 Q CB -0.200 28.543 28.738 0.008 0.000 0.911 449 Q HN 0.421 nan 8.270 nan 0.000 0.438 450 A N -0.333 122.490 122.820 0.005 0.000 2.119 450 A HA 0.186 4.592 4.320 0.144 0.000 0.217 450 A C 1.898 179.484 177.584 0.003 0.000 1.153 450 A CA 1.173 53.212 52.037 0.003 0.000 0.692 450 A CB -0.551 18.449 19.000 0.001 0.000 0.799 450 A HN 0.420 nan 8.150 nan 0.000 0.458 451 A N -1.212 121.611 122.820 0.005 0.000 2.337 451 A HA 0.447 4.853 4.320 0.144 0.000 0.227 451 A C 1.539 179.126 177.584 0.005 0.000 1.259 451 A CA 0.791 52.831 52.037 0.005 0.000 0.870 451 A CB -1.108 17.897 19.000 0.007 0.000 0.927 451 A HN 1.733 nan 8.150 nan 0.000 0.497 452 G N 0.230 109.033 108.800 0.005 0.000 2.305 452 G HA2 -0.260 3.786 3.960 0.144 0.000 0.287 452 G HA3 -0.260 3.786 3.960 0.144 0.000 0.287 452 G C 0.069 174.972 174.900 0.005 0.000 1.036 452 G CA 0.467 45.569 45.100 0.004 0.000 0.887 452 G HN 0.471 nan 8.290 nan 0.000 0.505 453 K N 0.728 121.133 120.400 0.008 0.000 2.249 453 K HA 0.411 4.817 4.320 0.144 0.000 0.280 453 K C 1.188 177.793 176.600 0.009 0.000 1.033 453 K CA 0.256 56.548 56.287 0.009 0.000 0.946 453 K CB 1.262 33.770 32.500 0.013 0.000 1.005 453 K HN 0.552 nan 8.250 nan 0.000 0.469 454 S N 2.456 118.161 115.700 0.008 0.000 2.584 454 S HA 0.128 4.684 4.470 0.144 0.000 0.270 454 S C -1.296 173.309 174.600 0.009 0.000 1.346 454 S CA -1.009 57.196 58.200 0.007 0.000 1.018 454 S CB 0.802 64.006 63.200 0.006 0.000 0.899 454 S HN 0.418 nan 8.310 nan 0.000 0.542 455 P HA -0.175 nan 4.420 nan 0.000 0.218 455 P C 1.302 178.609 177.300 0.011 0.000 1.148 455 P CA 1.126 64.231 63.100 0.009 0.000 0.822 455 P CB 0.072 31.776 31.700 0.007 0.000 0.784 456 E N 0.546 120.752 120.200 0.010 0.000 2.047 456 E HA -0.162 4.275 4.350 0.144 0.000 0.191 456 E C 1.555 178.165 176.600 0.016 0.000 0.987 456 E CA 1.281 57.688 56.400 0.012 0.000 0.799 456 E CB -0.509 29.197 29.700 0.010 0.000 0.752 456 E HN 0.128 nan 8.360 nan 0.000 0.449 457 D N 0.640 121.049 120.400 0.015 0.000 2.183 457 D HA -0.112 4.615 4.640 0.144 0.000 0.203 457 D C 2.093 178.408 176.300 0.025 0.000 0.969 457 D CA 0.352 54.363 54.000 0.018 0.000 0.842 457 D CB -0.252 40.555 40.800 0.012 0.000 0.957 457 D HN 0.195 nan 8.370 nan 0.000 0.484 458 L N 0.185 121.421 121.223 0.022 0.000 2.027 458 L HA -0.101 4.325 4.340 0.144 0.000 0.206 458 L C 2.196 179.085 176.870 0.031 0.000 1.074 458 L CA 1.071 55.926 54.840 0.025 0.000 0.745 458 L CB -0.132 41.938 42.059 0.019 0.000 0.898 458 L HN -0.010 nan 8.230 nan 0.000 0.433 459 M N -0.010 119.606 119.600 0.026 0.000 2.159 459 M HA -0.235 4.332 4.480 0.144 0.000 0.263 459 M C 2.066 178.390 176.300 0.040 0.000 1.063 459 M CA 1.871 57.186 55.300 0.024 0.000 1.110 459 M CB -0.404 32.206 32.600 0.016 0.000 1.374 459 M HN 0.246 nan 8.290 nan 0.000 0.411 460 K N -0.161 120.270 120.400 0.051 0.000 2.211 460 K HA -0.137 4.269 4.320 0.144 0.000 0.203 460 K C 1.816 178.513 176.600 0.161 0.000 1.050 460 K CA 1.040 57.376 56.287 0.083 0.000 0.945 460 K CB -0.096 32.438 32.500 0.056 0.000 0.732 460 K HN 0.274 nan 8.250 nan 0.000 0.451 461 L N 0.318 121.620 121.223 0.132 0.000 2.470 461 L HA 0.111 4.537 4.340 0.144 0.000 0.219 461 L C 1.673 178.646 176.870 0.171 0.000 1.071 461 L CA 0.617 55.569 54.840 0.186 0.000 0.850 461 L CB -0.156 41.952 42.059 0.082 0.000 1.040 461 L HN -0.016 nan 8.230 nan 0.000 0.475 462 L N 1.783 123.057 121.223 0.086 0.000 1.976 462 L HA -0.157 4.269 4.340 0.144 0.000 0.223 462 L C -0.577 176.297 176.870 0.006 0.000 1.081 462 L CA 2.772 57.638 54.840 0.044 0.000 0.784 462 L CB -1.889 40.183 42.059 0.021 0.000 0.896 462 L HN 0.253 nan 8.230 nan 0.000 0.438 463 P HA -0.217 nan 4.420 nan 0.000 0.218 463 P C 1.170 178.343 177.300 -0.212 0.000 1.148 463 P CA 1.865 64.864 63.100 -0.169 0.000 0.822 463 P CB -0.561 30.983 31.700 -0.259 0.000 0.784 464 H N -0.237 118.810 119.070 -0.038 0.000 2.521 464 H HA 0.073 4.715 4.556 0.144 0.000 0.286 464 H C 1.666 176.942 175.328 -0.087 0.000 1.034 464 H CA 0.831 56.840 56.048 -0.065 0.000 1.278 464 H CB 0.056 29.794 29.762 -0.040 0.000 1.386 464 H HN 0.230 nan 8.280 nan 0.000 0.567 465 K N 0.995 121.433 120.400 0.064 0.000 2.393 465 K HA 0.125 4.531 4.320 0.144 0.000 0.193 465 K C 0.367 177.036 176.600 0.115 0.000 1.026 465 K CA 0.023 56.367 56.287 0.095 0.000 1.064 465 K CB 0.798 33.367 32.500 0.115 0.000 0.833 465 K HN -0.020 nan 8.250 nan 0.000 0.521 466 V N 2.229 122.148 119.914 0.008 0.000 2.530 466 V HA 0.123 4.329 4.120 0.144 0.000 0.282 466 V C -0.186 175.881 176.094 -0.045 0.000 1.048 466 V CA -0.149 62.181 62.300 0.050 0.000 0.997 466 V CB 0.233 32.058 31.823 0.002 0.000 0.987 466 V HN -0.028 nan 8.190 nan 0.000 0.477 467 F N 3.053 123.010 119.950 0.012 0.000 2.382 467 F HA 0.398 5.012 4.527 0.144 0.000 0.361 467 F C 1.327 177.147 175.800 0.034 0.000 1.109 467 F CA -0.614 57.404 58.000 0.029 0.000 1.031 467 F CB 1.291 40.302 39.000 0.017 0.000 1.234 467 F HN 0.582 nan 8.300 nan 0.000 0.445 468 E N 2.256 122.539 120.200 0.138 0.000 2.265 468 E HA 0.028 4.465 4.350 0.144 0.000 0.196 468 E C 1.755 178.430 176.600 0.125 0.000 0.996 468 E CA 0.583 57.045 56.400 0.104 0.000 0.832 468 E CB 0.005 29.741 29.700 0.059 0.000 0.756 468 E HN 0.932 nan 8.360 nan 0.000 0.491 469 G N 2.010 110.914 108.800 0.173 0.000 2.582 469 G HA2 -0.464 3.582 3.960 0.144 0.000 0.288 469 G HA3 -0.464 3.582 3.960 0.144 0.000 0.288 469 G C 0.272 175.229 174.900 0.094 0.000 1.247 469 G CA 0.283 45.471 45.100 0.146 0.000 0.972 469 G HN 0.380 nan 8.290 nan 0.000 0.557 470 N N -0.935 117.812 118.700 0.079 0.000 2.725 470 N HA -0.188 4.638 4.740 0.144 0.000 0.249 470 N C 0.164 175.699 175.510 0.041 0.000 1.103 470 N CA 1.903 54.998 53.050 0.075 0.000 0.707 470 N CB -0.697 37.843 38.487 0.088 0.000 1.043 470 N HN 0.853 nan 8.380 nan 0.000 0.553 471 R N 0.729 121.242 120.500 0.022 0.000 2.215 471 R HA 0.371 4.797 4.340 0.144 0.000 0.336 471 R C -2.165 174.114 176.300 -0.036 0.000 0.996 471 R CA -1.575 54.507 56.100 -0.029 0.000 0.847 471 R CB 1.147 31.427 30.300 -0.034 0.000 1.127 471 R HN 0.206 nan 8.270 nan 0.000 0.465 472 P HA 0.037 nan 4.420 nan 0.000 0.271 472 P C -0.696 176.601 177.300 -0.005 0.000 1.216 472 P CA -0.079 63.021 63.100 -0.000 0.000 0.776 472 P CB 1.472 33.184 31.700 0.020 0.000 0.881 473 T N -0.746 113.855 114.554 0.079 0.000 2.843 473 T HA 0.448 4.884 4.350 0.144 0.000 0.302 473 T C -0.751 174.065 174.700 0.194 0.000 1.232 473 T CA -0.916 61.258 62.100 0.124 0.000 1.009 473 T CB 1.332 70.226 68.868 0.044 0.000 1.254 473 T HN 0.257 nan 8.240 nan 0.000 0.504 474 N N 0.602 119.455 118.700 0.255 0.000 2.321 474 N HA 0.603 5.429 4.740 0.144 0.000 0.299 474 N C -1.276 174.410 175.510 0.293 0.000 1.048 474 N CA -0.572 52.653 53.050 0.293 0.000 0.836 474 N CB 2.234 40.913 38.487 0.319 0.000 1.269 474 N HN 0.637 nan 8.380 nan 0.000 0.486 475 S N 1.774 117.639 115.700 0.275 0.000 2.530 475 S HA 0.547 5.103 4.470 0.144 0.000 0.322 475 S C 0.046 174.884 174.600 0.397 0.000 1.085 475 S CA -0.560 57.835 58.200 0.324 0.000 1.096 475 S CB 0.502 63.819 63.200 0.195 0.000 0.988 475 S HN 0.341 nan 8.310 nan 0.000 0.466 476 I N 3.787 124.630 120.570 0.454 0.000 2.359 476 I HA 0.377 4.633 4.170 0.144 0.000 0.284 476 I C -0.798 175.507 176.117 0.313 0.000 1.018 476 I CA -0.678 60.853 61.300 0.384 0.000 1.173 476 I CB 1.269 39.504 38.000 0.392 0.000 1.326 476 I HN 0.226 nan 8.210 nan 0.000 0.462 477 V N 7.025 127.059 119.914 0.199 0.000 2.459 477 V HA 0.524 4.730 4.120 0.144 0.000 0.295 477 V C -0.354 175.765 176.094 0.042 0.000 1.029 477 V CA -0.626 61.624 62.300 -0.083 0.000 0.874 477 V CB 1.269 33.043 31.823 -0.081 0.000 0.985 477 V HN 0.503 nan 8.190 nan 0.000 0.438 478 F N 0.445 120.410 119.950 0.026 0.000 2.577 478 F HA 0.610 5.219 4.527 0.136 0.000 0.318 478 F C 1.266 177.089 175.800 0.038 0.000 1.065 478 F CA -0.863 57.163 58.000 0.043 0.000 0.929 478 F CB 1.005 40.028 39.000 0.039 0.000 1.237 478 F HN 0.302 nan 8.300 nan 0.000 0.468 479 T N -0.532 114.153 114.554 0.220 0.000 2.665 479 T HA -0.166 4.270 4.350 0.144 0.000 0.268 479 T C 0.289 175.069 174.700 0.133 0.000 1.035 479 T CA 1.887 64.065 62.100 0.130 0.000 1.151 479 T CB -0.228 68.722 68.868 0.136 0.000 0.862 479 T HN 0.642 nan 8.240 nan 0.000 0.438 480 K N -0.353 120.199 120.400 0.254 0.000 2.578 480 K HA 0.369 4.776 4.320 0.144 0.000 0.269 480 K C -2.139 174.672 176.600 0.351 0.000 0.941 480 K CA -0.773 55.658 56.287 0.240 0.000 0.847 480 K CB 1.273 33.856 32.500 0.139 0.000 1.397 480 K HN -0.074 nan 8.250 nan 0.000 0.422 481 L N 4.241 125.674 121.223 0.349 0.000 2.404 481 L HA 0.260 4.686 4.340 0.144 0.000 0.277 481 L C -0.315 176.645 176.870 0.149 0.000 1.184 481 L CA 0.521 55.516 54.840 0.258 0.000 1.013 481 L CB -0.231 42.017 42.059 0.315 0.000 1.318 481 L HN 0.706 nan 8.230 nan 0.000 0.435 482 T N 1.059 115.652 114.554 0.066 0.000 2.910 482 T HA 0.545 4.982 4.350 0.144 0.000 0.279 482 T C -1.887 172.683 174.700 -0.217 0.000 0.989 482 T CA -1.797 60.258 62.100 -0.074 0.000 0.968 482 T CB 1.199 70.062 68.868 -0.008 0.000 1.135 482 T HN 0.183 nan 8.240 nan 0.000 0.562 483 P HA 0.024 nan 4.420 nan 0.000 0.217 483 P C 1.196 178.412 177.300 -0.140 0.000 1.150 483 P CA 0.641 63.555 63.100 -0.310 0.000 0.832 483 P CB -0.108 31.362 31.700 -0.382 0.000 0.787 484 F N 0.113 119.931 119.950 -0.221 0.000 2.075 484 F HA -0.179 4.426 4.527 0.131 0.000 0.297 484 F C 2.002 177.732 175.800 -0.117 0.000 1.113 484 F CA 1.430 59.335 58.000 -0.159 0.000 1.218 484 F CB -0.544 38.335 39.000 -0.202 0.000 0.984 484 F HN -0.267 nan 8.300 nan 0.000 0.472 485 I N 0.260 120.910 120.570 0.135 0.000 2.226 485 I HA -0.254 4.003 4.170 0.144 0.000 0.245 485 I C 2.449 178.462 176.117 -0.175 0.000 1.100 485 I CA 1.168 62.456 61.300 -0.020 0.000 1.374 485 I CB -1.540 36.443 38.000 -0.028 0.000 1.057 485 I HN 0.294 nan 8.210 nan 0.000 0.413 486 L N 1.590 122.718 121.223 -0.159 0.000 2.042 486 L HA -0.096 4.330 4.340 0.144 0.000 0.210 486 L C 2.423 179.276 176.870 -0.028 0.000 1.076 486 L CA 2.308 57.069 54.840 -0.131 0.000 0.749 486 L CB -1.301 40.688 42.059 -0.117 0.000 0.893 486 L HN 0.213 nan 8.230 nan 0.000 0.432 487 G N -1.139 107.633 108.800 -0.046 0.000 2.442 487 G HA2 -0.264 3.782 3.960 0.144 0.000 0.219 487 G HA3 -0.264 3.782 3.960 0.144 0.000 0.219 487 G C 1.583 176.540 174.900 0.095 0.000 1.141 487 G CA 0.849 46.021 45.100 0.120 0.000 0.763 487 G HN 0.664 nan 8.290 nan 0.000 0.554 488 A N 0.355 123.117 122.820 -0.096 0.000 1.930 488 A HA 0.179 4.585 4.320 0.144 0.000 0.217 488 A C 2.423 180.039 177.584 0.052 0.000 1.175 488 A CA 1.087 53.099 52.037 -0.042 0.000 0.627 488 A CB -0.313 18.616 19.000 -0.118 0.000 0.815 488 A HN 0.354 nan 8.150 nan 0.000 0.443 489 L N -0.522 120.722 121.223 0.036 0.000 2.056 489 L HA -0.147 4.279 4.340 0.144 0.000 0.207 489 L C 2.449 179.542 176.870 0.372 0.000 1.078 489 L CA 1.128 56.036 54.840 0.115 0.000 0.749 489 L CB -0.489 41.582 42.059 0.021 0.000 0.901 489 L HN 0.379 nan 8.230 nan 0.000 0.433 490 I N -0.091 120.767 120.570 0.480 0.000 2.179 490 I HA -0.269 3.987 4.170 0.144 0.000 0.242 490 I C 2.830 179.304 176.117 0.595 0.000 1.088 490 I CA 1.200 62.935 61.300 0.725 0.000 1.357 490 I CB -0.576 37.742 38.000 0.530 0.000 1.051 490 I HN 0.181 nan 8.210 nan 0.000 0.409 491 A N 0.669 123.704 122.820 0.357 0.000 1.940 491 A HA -0.275 4.132 4.320 0.144 0.000 0.219 491 A C 2.431 180.007 177.584 -0.014 0.000 1.176 491 A CA 1.940 54.019 52.037 0.070 0.000 0.631 491 A CB -0.712 18.250 19.000 -0.063 0.000 0.814 491 A HN 0.489 nan 8.150 nan 0.000 0.446 492 M N -1.765 117.880 119.600 0.075 0.000 2.080 492 M HA -0.217 4.349 4.480 0.144 0.000 0.260 492 M C 1.986 178.230 176.300 -0.093 0.000 1.068 492 M CA 2.018 57.308 55.300 -0.016 0.000 1.109 492 M CB -0.282 32.247 32.600 -0.118 0.000 1.342 492 M HN 0.529 nan 8.290 nan 0.000 0.405 493 Y N 0.409 120.706 120.300 -0.006 0.000 2.314 493 Y HA -0.140 4.502 4.550 0.153 0.000 0.293 493 Y C 2.269 178.186 175.900 0.029 0.000 1.129 493 Y CA 1.269 59.272 58.100 -0.162 0.000 1.201 493 Y CB -0.125 37.832 38.460 -0.839 0.000 0.999 493 Y HN 0.359 nan 8.280 nan 0.000 0.541 494 E N -0.566 119.821 120.200 0.312 0.000 2.085 494 E HA -0.235 4.201 4.350 0.144 0.000 0.194 494 E C 1.725 178.446 176.600 0.201 0.000 0.994 494 E CA 1.386 57.986 56.400 0.334 0.000 0.801 494 E CB -0.188 29.652 29.700 0.235 0.000 0.743 494 E HN 0.601 nan 8.360 nan 0.000 0.453 495 H N 0.432 119.565 119.070 0.104 0.000 2.462 495 H HA -0.008 4.633 4.556 0.142 0.000 0.292 495 H C 2.006 177.287 175.328 -0.079 0.000 1.049 495 H CA 0.926 56.885 56.048 -0.148 0.000 1.334 495 H CB -0.054 29.225 29.762 -0.805 0.000 1.404 495 H HN 0.118 nan 8.280 nan 0.000 0.544 496 K N 1.275 121.719 120.400 0.073 0.000 2.032 496 K HA -0.111 4.295 4.320 0.144 0.000 0.209 496 K C 2.063 178.719 176.600 0.094 0.000 1.048 496 K CA 1.250 57.573 56.287 0.059 0.000 0.927 496 K CB -0.137 32.416 32.500 0.089 0.000 0.712 496 K HN 0.148 nan 8.250 nan 0.000 0.441 497 I N 0.657 121.330 120.570 0.172 0.000 2.226 497 I HA -0.254 4.003 4.170 0.144 0.000 0.245 497 I C 2.351 178.567 176.117 0.166 0.000 1.100 497 I CA 1.085 62.492 61.300 0.177 0.000 1.374 497 I CB -0.369 37.783 38.000 0.253 0.000 1.057 497 I HN 0.183 nan 8.210 nan 0.000 0.413 498 F N 1.562 121.596 119.950 0.139 0.000 2.095 498 F HA -0.207 4.405 4.527 0.141 0.000 0.298 498 F C 2.340 178.209 175.800 0.116 0.000 1.104 498 F CA 1.659 59.774 58.000 0.191 0.000 1.232 498 F CB -0.559 38.657 39.000 0.359 0.000 0.987 498 F HN -0.228 nan 8.300 nan 0.000 0.475 499 V N 0.780 120.669 119.914 -0.041 0.000 2.343 499 V HA -0.339 3.867 4.120 0.144 0.000 0.247 499 V C 2.359 178.257 176.094 -0.326 0.000 1.051 499 V CA 2.368 64.557 62.300 -0.184 0.000 1.036 499 V CB -0.928 30.894 31.823 -0.002 0.000 0.654 499 V HN 0.438 nan 8.190 nan 0.000 0.451 500 Q N -0.002 119.590 119.800 -0.345 0.000 2.119 500 Q HA -0.114 4.312 4.340 0.144 0.000 0.201 500 Q C 2.409 177.992 176.000 -0.694 0.000 0.972 500 Q CA 1.546 56.917 55.803 -0.721 0.000 0.847 500 Q CB -0.521 27.748 28.738 -0.783 0.000 0.903 500 Q HN 0.723 nan 8.270 nan 0.000 0.433 501 G N 0.418 109.051 108.800 -0.279 0.000 2.418 501 G HA2 -0.208 3.839 3.960 0.144 0.000 0.217 501 G HA3 -0.208 3.839 3.960 0.144 0.000 0.217 501 G C 1.520 176.352 174.900 -0.114 0.000 1.158 501 G CA 0.779 45.850 45.100 -0.048 0.000 0.771 501 G HN 0.196 nan 8.290 nan 0.000 0.545 502 V N 0.532 120.261 119.914 -0.310 0.000 2.307 502 V HA -0.159 4.047 4.120 0.144 0.000 0.245 502 V C 3.029 179.015 176.094 -0.181 0.000 1.045 502 V CA 1.435 63.577 62.300 -0.262 0.000 1.024 502 V CB -0.376 31.205 31.823 -0.403 0.000 0.651 502 V HN 0.242 nan 8.190 nan 0.000 0.449 503 V N -1.357 118.389 119.914 -0.281 0.000 2.392 503 V HA -0.240 3.966 4.120 0.144 0.000 0.249 503 V C 2.093 178.076 176.094 -0.186 0.000 1.059 503 V CA 1.729 63.858 62.300 -0.284 0.000 1.051 503 V CB -0.614 30.946 31.823 -0.440 0.000 0.658 503 V HN 0.664 nan 8.190 nan 0.000 0.455 504 W N -0.686 120.554 121.300 -0.101 0.000 3.139 504 W HA 0.222 4.970 4.660 0.148 0.000 0.260 504 W C 1.288 177.815 176.519 0.013 0.000 1.312 504 W CA 0.401 57.714 57.345 -0.054 0.000 1.606 504 W CB -0.808 28.685 29.460 0.055 0.000 1.118 504 W HN 0.513 nan 8.180 nan 0.000 0.675 505 D N 0.624 121.120 120.400 0.159 0.000 2.772 505 D HA -0.208 4.518 4.640 0.144 0.000 0.233 505 D C -0.029 176.347 176.300 0.128 0.000 1.143 505 D CA 0.829 54.893 54.000 0.106 0.000 0.700 505 D CB -1.293 39.558 40.800 0.085 0.000 1.076 505 D HN 0.279 nan 8.370 nan 0.000 0.430 506 I N -4.068 116.598 120.570 0.160 0.000 2.982 506 I HA 0.556 4.812 4.170 0.144 0.000 0.312 506 I C 0.334 176.524 176.117 0.121 0.000 1.041 506 I CA -1.169 60.213 61.300 0.137 0.000 1.053 506 I CB 1.460 39.559 38.000 0.166 0.000 1.248 506 I HN -0.109 nan 8.210 nan 0.000 0.471 507 N N 1.882 120.656 118.700 0.124 0.000 2.558 507 N HA 0.224 5.050 4.740 0.144 0.000 0.233 507 N C 0.096 175.643 175.510 0.062 0.000 1.038 507 N CA -0.114 53.027 53.050 0.152 0.000 0.934 507 N CB 0.810 39.420 38.487 0.205 0.000 1.175 507 N HN 0.630 nan 8.380 nan 0.000 0.512 508 S N 2.376 117.999 115.700 -0.129 0.000 2.595 508 S HA 0.052 4.609 4.470 0.144 0.000 0.235 508 S C 0.439 174.683 174.600 -0.593 0.000 0.974 508 S CA 0.459 58.406 58.200 -0.422 0.000 0.942 508 S CB -0.291 62.487 63.200 -0.704 0.000 0.766 508 S HN 0.606 nan 8.310 nan 0.000 0.536 509 F N 1.017 121.094 119.950 0.211 0.000 2.688 509 F HA 0.271 4.883 4.527 0.142 0.000 0.310 509 F C 0.522 176.399 175.800 0.127 0.000 1.098 509 F CA -0.897 57.223 58.000 0.200 0.000 1.228 509 F CB 0.360 39.469 39.000 0.181 0.000 1.042 509 F HN 0.095 nan 8.300 nan 0.000 0.557 510 D N -0.457 120.047 120.400 0.172 0.000 2.592 510 D HA 0.364 5.090 4.640 0.144 0.000 0.259 510 D C -0.204 176.048 176.300 -0.080 0.000 1.144 510 D CA -0.647 53.346 54.000 -0.012 0.000 1.080 510 D CB 0.628 41.421 40.800 -0.011 0.000 1.225 510 D HN 0.015 nan 8.370 nan 0.000 0.619 511 Q N -0.795 118.831 119.800 -0.289 0.000 3.693 511 Q HA 0.105 4.531 4.340 0.144 0.000 0.226 511 Q C -0.914 174.993 176.000 -0.154 0.000 0.757 511 Q CA -0.508 55.210 55.803 -0.141 0.000 0.891 511 Q CB -1.328 27.357 28.738 -0.089 0.000 1.561 511 Q HN 0.745 nan 8.270 nan 0.000 0.390 512 W N 0.830 122.175 121.300 0.076 0.000 2.611 512 W HA 0.137 4.884 4.660 0.144 0.000 0.251 512 W C 1.898 178.455 176.519 0.063 0.000 1.265 512 W CA 0.871 58.257 57.345 0.068 0.000 1.295 512 W CB 0.265 29.766 29.460 0.067 0.000 1.129 512 W HN 0.611 nan 8.180 nan 0.000 0.630 513 G N 0.478 109.416 108.800 0.230 0.000 2.708 513 G HA2 -0.122 3.924 3.960 0.144 0.000 0.210 513 G HA3 -0.122 3.924 3.960 0.144 0.000 0.210 513 G C 1.302 176.263 174.900 0.102 0.000 1.141 513 G CA 1.160 46.355 45.100 0.157 0.000 0.788 513 G HN 0.320 nan 8.290 nan 0.000 0.531 514 V N -3.144 116.825 119.914 0.091 0.000 3.471 514 V HA 0.195 4.401 4.120 0.144 0.000 0.258 514 V C 1.943 178.082 176.094 0.075 0.000 1.192 514 V CA 1.015 63.350 62.300 0.058 0.000 1.116 514 V CB 0.014 31.851 31.823 0.023 0.000 0.792 514 V HN 0.328 nan 8.190 nan 0.000 0.459 515 E N 0.840 121.113 120.200 0.122 0.000 2.038 515 E HA -0.222 4.215 4.350 0.144 0.000 0.195 515 E C 2.108 178.764 176.600 0.093 0.000 1.000 515 E CA 1.738 58.214 56.400 0.127 0.000 0.803 515 E CB -0.305 29.513 29.700 0.198 0.000 0.750 515 E HN 0.529 nan 8.360 nan 0.000 0.448 516 L N 1.208 122.485 121.223 0.089 0.000 1.990 516 L HA -0.149 4.277 4.340 0.144 0.000 0.213 516 L C 2.296 179.196 176.870 0.051 0.000 1.072 516 L CA 2.449 57.329 54.840 0.065 0.000 0.755 516 L CB -1.066 41.028 42.059 0.057 0.000 0.889 516 L HN 0.141 nan 8.230 nan 0.000 0.432 517 G N -1.014 107.812 108.800 0.043 0.000 2.440 517 G HA2 -0.293 3.753 3.960 0.144 0.000 0.218 517 G HA3 -0.293 3.753 3.960 0.144 0.000 0.218 517 G C 1.683 176.602 174.900 0.032 0.000 1.154 517 G CA 0.983 46.101 45.100 0.030 0.000 0.767 517 G HN 0.449 nan 8.290 nan 0.000 0.552 518 K N -0.075 120.347 120.400 0.038 0.000 2.057 518 K HA -0.094 4.313 4.320 0.144 0.000 0.207 518 K C 2.738 179.362 176.600 0.041 0.000 1.049 518 K CA 1.373 57.681 56.287 0.036 0.000 0.931 518 K CB -0.166 32.358 32.500 0.041 0.000 0.714 518 K HN 0.348 nan 8.250 nan 0.000 0.440 519 Q N 0.739 120.569 119.800 0.049 0.000 2.020 519 Q HA -0.084 4.342 4.340 0.144 0.000 0.202 519 Q C 2.139 178.170 176.000 0.052 0.000 0.982 519 Q CA 1.319 57.152 55.803 0.051 0.000 0.838 519 Q CB -0.087 28.684 28.738 0.054 0.000 0.899 519 Q HN 0.253 nan 8.270 nan 0.000 0.423 520 L N -0.025 121.230 121.223 0.054 0.000 2.191 520 L HA -0.158 4.268 4.340 0.144 0.000 0.212 520 L C 2.382 179.284 176.870 0.053 0.000 1.103 520 L CA 0.788 55.667 54.840 0.065 0.000 0.769 520 L CB -0.624 41.469 42.059 0.057 0.000 0.908 520 L HN 0.239 nan 8.230 nan 0.000 0.438 521 A N -0.259 122.581 122.820 0.035 0.000 1.897 521 A HA -0.135 4.272 4.320 0.144 0.000 0.215 521 A C 2.335 179.938 177.584 0.031 0.000 1.181 521 A CA 1.120 53.170 52.037 0.023 0.000 0.620 521 A CB -0.214 18.796 19.000 0.017 0.000 0.821 521 A HN 0.133 nan 8.150 nan 0.000 0.443 522 K N 0.343 120.764 120.400 0.036 0.000 2.147 522 K HA -0.073 4.333 4.320 0.144 0.000 0.205 522 K C 1.691 178.318 176.600 0.045 0.000 1.049 522 K CA 1.295 57.604 56.287 0.036 0.000 0.936 522 K CB -0.221 32.300 32.500 0.035 0.000 0.722 522 K HN 0.521 nan 8.250 nan 0.000 0.446 523 K N 0.096 120.532 120.400 0.061 0.000 2.296 523 K HA 0.078 4.484 4.320 0.144 0.000 0.200 523 K C 2.101 178.764 176.600 0.104 0.000 1.048 523 K CA 0.526 56.860 56.287 0.079 0.000 0.966 523 K CB 0.140 32.697 32.500 0.095 0.000 0.754 523 K HN 0.096 nan 8.250 nan 0.000 0.466 524 I N 0.968 121.592 120.570 0.089 0.000 2.585 524 I HA -0.158 4.099 4.170 0.144 0.000 0.254 524 I C 1.871 178.015 176.117 0.044 0.000 1.129 524 I CA 0.749 62.091 61.300 0.070 0.000 1.455 524 I CB -0.080 37.917 38.000 -0.005 0.000 1.111 524 I HN 0.134 nan 8.210 nan 0.000 0.433 525 E N 1.570 121.790 120.200 0.033 0.000 2.086 525 E HA -0.250 4.186 4.350 0.144 0.000 0.205 525 E C -0.663 175.953 176.600 0.027 0.000 1.027 525 E CA 1.865 58.279 56.400 0.024 0.000 0.830 525 E CB -1.285 28.428 29.700 0.022 0.000 0.751 525 E HN 0.463 nan 8.360 nan 0.000 0.456 526 P HA -0.146 nan 4.420 nan 0.000 0.221 526 P C 0.592 177.911 177.300 0.032 0.000 1.150 526 P CA 1.336 64.454 63.100 0.029 0.000 0.800 526 P CB 0.048 31.765 31.700 0.029 0.000 0.787 527 E N -0.082 120.146 120.200 0.047 0.000 2.274 527 E HA -0.015 4.421 4.350 0.144 0.000 0.194 527 E C 2.150 178.773 176.600 0.038 0.000 0.996 527 E CA 0.428 56.861 56.400 0.054 0.000 0.840 527 E CB -0.424 29.334 29.700 0.096 0.000 0.772 527 E HN 0.302 nan 8.360 nan 0.000 0.491 528 L N 1.298 122.537 121.223 0.028 0.000 2.201 528 L HA -0.080 4.346 4.340 0.144 0.000 0.212 528 L C 0.416 177.292 176.870 0.011 0.000 1.105 528 L CA 0.346 55.195 54.840 0.016 0.000 0.775 528 L CB -0.344 41.721 42.059 0.010 0.000 0.913 528 L HN 0.012 nan 8.230 nan 0.000 0.440 529 D N 0.768 121.175 120.400 0.013 0.000 2.443 529 D HA 0.374 5.100 4.640 0.144 0.000 0.239 529 D C 0.728 177.033 176.300 0.008 0.000 1.136 529 D CA 1.236 55.242 54.000 0.009 0.000 0.879 529 D CB 0.652 41.458 40.800 0.010 0.000 1.195 529 D HN 0.271 nan 8.370 nan 0.000 0.443 530 G N 0.992 109.794 108.800 0.003 0.000 2.795 530 G HA2 -0.136 3.910 3.960 0.144 0.000 0.664 530 G HA3 -0.136 3.910 3.960 0.144 0.000 0.664 530 G C 0.531 175.431 174.900 -0.000 0.000 1.381 530 G CA 0.049 45.150 45.100 0.002 0.000 0.853 530 G HN 0.703 nan 8.290 nan 0.000 0.545 531 S N -1.511 114.188 115.700 -0.001 0.000 2.539 531 S HA 0.472 5.028 4.470 0.144 0.000 0.221 531 S C 1.184 175.786 174.600 0.002 0.000 0.987 531 S CA 0.983 59.181 58.200 -0.004 0.000 0.929 531 S CB 0.034 63.230 63.200 -0.008 0.000 0.832 531 S HN 2.230 nan 8.310 nan 0.000 0.492 532 S N 2.523 118.227 115.700 0.007 0.000 2.549 532 S HA 0.440 4.996 4.470 0.144 0.000 0.283 532 S C -2.788 171.823 174.600 0.017 0.000 1.320 532 S CA -1.049 57.158 58.200 0.011 0.000 1.058 532 S CB -0.110 63.097 63.200 0.012 0.000 0.882 532 S HN 0.126 nan 8.310 nan 0.000 0.498 533 P HA 0.254 nan 4.420 nan 0.000 0.269 533 P C -0.912 176.410 177.300 0.037 0.000 1.209 533 P CA -0.482 62.635 63.100 0.028 0.000 0.776 533 P CB 0.491 32.207 31.700 0.027 0.000 0.876 534 V N 2.356 122.302 119.914 0.052 0.000 2.472 534 V HA 0.392 4.598 4.120 0.144 0.000 0.290 534 V C 1.017 177.157 176.094 0.077 0.000 1.037 534 V CA 0.108 62.452 62.300 0.074 0.000 0.908 534 V CB 1.343 33.233 31.823 0.112 0.000 0.985 534 V HN 0.791 nan 8.190 nan 0.000 0.454 535 T N -2.150 112.442 114.554 0.063 0.000 3.262 535 T HA 0.019 4.455 4.350 0.144 0.000 0.300 535 T C 1.205 175.919 174.700 0.023 0.000 0.959 535 T CA 0.419 62.547 62.100 0.048 0.000 0.936 535 T CB 0.113 68.996 68.868 0.026 0.000 1.169 535 T HN 0.634 nan 8.240 nan 0.000 0.532 536 S N 0.406 116.105 115.700 -0.002 0.000 2.527 536 S HA 0.135 4.692 4.470 0.144 0.000 0.222 536 S C 0.723 175.166 174.600 -0.262 0.000 0.985 536 S CA -0.228 57.886 58.200 -0.143 0.000 0.921 536 S CB -0.521 62.544 63.200 -0.225 0.000 0.772 536 S HN 0.697 nan 8.310 nan 0.000 0.529 537 H N 1.585 120.660 119.070 0.008 0.000 3.065 537 H HA 0.383 5.026 4.556 0.144 0.000 0.279 537 H C -0.586 174.745 175.328 0.005 0.000 1.594 537 H CA -0.481 55.571 56.048 0.007 0.000 1.547 537 H CB 0.149 29.916 29.762 0.009 0.000 1.771 537 H HN 0.382 nan 8.280 nan 0.000 0.871 538 D N -0.788 119.709 120.400 0.162 0.000 2.361 538 D HA -0.048 4.678 4.640 0.144 0.000 0.239 538 D C 1.219 177.561 176.300 0.069 0.000 1.200 538 D CA 0.129 54.176 54.000 0.079 0.000 0.915 538 D CB 0.686 41.520 40.800 0.056 0.000 1.170 538 D HN 0.451 nan 8.370 nan 0.000 0.444 539 S N 0.355 116.079 115.700 0.040 0.000 2.400 539 S HA -0.292 4.265 4.470 0.144 0.000 0.232 539 S C 1.921 176.534 174.600 0.022 0.000 1.025 539 S CA 1.112 59.330 58.200 0.031 0.000 0.993 539 S CB -0.726 62.485 63.200 0.017 0.000 0.808 539 S HN 0.523 nan 8.310 nan 0.000 0.478 540 S N 1.463 117.170 115.700 0.012 0.000 2.345 540 S HA -0.106 4.450 4.470 0.144 0.000 0.220 540 S C 2.006 176.601 174.600 -0.009 0.000 1.031 540 S CA 1.807 60.004 58.200 -0.005 0.000 0.996 540 S CB -1.262 61.930 63.200 -0.013 0.000 0.882 540 S HN 0.684 nan 8.310 nan 0.000 0.445 541 T N 2.428 116.975 114.554 -0.013 0.000 2.720 541 T HA -0.078 4.358 4.350 0.144 0.000 0.268 541 T C 1.640 176.317 174.700 -0.040 0.000 1.037 541 T CA 1.718 63.779 62.100 -0.065 0.000 1.144 541 T CB -0.719 68.064 68.868 -0.141 0.000 0.864 541 T HN 0.566 nan 8.240 nan 0.000 0.444 542 N N 0.497 119.216 118.700 0.032 0.000 2.084 542 N HA -0.080 4.746 4.740 0.144 0.000 0.190 542 N C 2.266 177.804 175.510 0.047 0.000 1.030 542 N CA 0.911 53.999 53.050 0.063 0.000 0.849 542 N CB -0.281 38.255 38.487 0.080 0.000 1.012 542 N HN 0.415 nan 8.380 nan 0.000 0.423 543 G N 1.213 110.035 108.800 0.036 0.000 2.422 543 G HA2 -0.164 3.882 3.960 0.144 0.000 0.218 543 G HA3 -0.164 3.882 3.960 0.144 0.000 0.218 543 G C 1.516 176.457 174.900 0.069 0.000 1.146 543 G CA 0.397 45.523 45.100 0.043 0.000 0.769 543 G HN 0.122 nan 8.290 nan 0.000 0.547 544 L N 0.029 121.277 121.223 0.042 0.000 2.027 544 L HA 0.044 4.470 4.340 0.144 0.000 0.206 544 L C 2.838 179.777 176.870 0.113 0.000 1.074 544 L CA 0.619 55.503 54.840 0.072 0.000 0.745 544 L CB -0.351 41.717 42.059 0.016 0.000 0.898 544 L HN 0.167 nan 8.230 nan 0.000 0.433 545 I N 0.187 120.787 120.570 0.051 0.000 2.163 545 I HA -0.311 3.945 4.170 0.144 0.000 0.243 545 I C 2.156 178.309 176.117 0.060 0.000 1.085 545 I CA 1.241 62.564 61.300 0.039 0.000 1.347 545 I CB -0.463 37.544 38.000 0.011 0.000 1.044 545 I HN 0.376 nan 8.210 nan 0.000 0.408 546 N N 0.648 119.394 118.700 0.076 0.000 2.244 546 N HA -0.191 4.635 4.740 0.144 0.000 0.183 546 N C 1.747 177.312 175.510 0.093 0.000 1.016 546 N CA 1.185 54.278 53.050 0.071 0.000 0.866 546 N CB -0.511 38.019 38.487 0.071 0.000 0.980 546 N HN 0.287 nan 8.380 nan 0.000 0.430 547 F N 1.925 121.872 119.950 -0.005 0.000 2.134 547 F HA -0.007 4.606 4.527 0.144 0.000 0.299 547 F C 2.079 177.876 175.800 -0.005 0.000 1.097 547 F CA 0.933 58.930 58.000 -0.005 0.000 1.264 547 F CB -0.335 38.660 39.000 -0.008 0.000 1.001 547 F HN -0.107 nan 8.300 nan 0.000 0.479 548 I N 0.324 120.892 120.570 -0.003 0.000 2.179 548 I HA -0.335 3.922 4.170 0.144 0.000 0.242 548 I C 2.359 178.401 176.117 -0.126 0.000 1.088 548 I CA 1.577 62.823 61.300 -0.091 0.000 1.357 548 I CB -0.545 37.464 38.000 0.014 0.000 1.051 548 I HN 0.101 nan 8.210 nan 0.000 0.409 549 K N 0.243 120.602 120.400 -0.069 0.000 2.097 549 K HA -0.247 4.159 4.320 0.144 0.000 0.206 549 K C 2.153 178.698 176.600 -0.092 0.000 1.049 549 K CA 1.321 57.572 56.287 -0.060 0.000 0.933 549 K CB -0.201 32.286 32.500 -0.023 0.000 0.717 549 K HN 0.412 nan 8.250 nan 0.000 0.442 550 Q N 0.634 120.357 119.800 -0.129 0.000 2.083 550 Q HA -0.157 4.270 4.340 0.144 0.000 0.198 550 Q C 1.691 177.568 176.000 -0.205 0.000 0.969 550 Q CA 1.162 56.880 55.803 -0.143 0.000 0.838 550 Q CB 0.281 28.942 28.738 -0.129 0.000 0.900 550 Q HN 0.204 nan 8.270 nan 0.000 0.436 551 Q N 0.115 119.706 119.800 -0.348 0.000 2.425 551 Q HA -0.014 4.413 4.340 0.144 0.000 0.204 551 Q C 1.681 177.562 176.000 -0.198 0.000 0.933 551 Q CA 0.295 55.894 55.803 -0.339 0.000 0.939 551 Q CB 0.018 28.393 28.738 -0.605 0.000 1.044 551 Q HN 0.382 nan 8.270 nan 0.000 0.513 552 R N 1.418 121.825 120.500 -0.154 0.000 2.117 552 R HA -0.150 4.276 4.340 0.144 0.000 0.243 552 R C 0.403 176.662 176.300 -0.069 0.000 1.143 552 R CA 1.374 57.418 56.100 -0.093 0.000 0.968 552 R CB 0.282 30.541 30.300 -0.069 0.000 0.863 552 R HN 0.214 nan 8.270 nan 0.000 0.444 553 E N -0.648 119.511 120.200 -0.068 0.000 2.789 553 E HA 0.214 4.650 4.350 0.144 0.000 0.208 553 E C -1.033 175.538 176.600 -0.049 0.000 0.988 553 E CA -0.371 56.000 56.400 -0.048 0.000 1.092 553 E CB 1.391 31.069 29.700 -0.037 0.000 1.066 553 E HN 0.274 nan 8.360 nan 0.000 0.465 554 A N 2.203 124.985 122.820 -0.064 0.000 2.401 554 A HA 0.279 4.685 4.320 0.144 0.000 0.259 554 A C 0.056 177.618 177.584 -0.037 0.000 1.103 554 A CA -0.475 51.529 52.037 -0.055 0.000 0.789 554 A CB 0.095 19.050 19.000 -0.075 0.000 1.035 554 A HN 0.140 nan 8.150 nan 0.000 0.491 555 K N 3.186 123.571 120.400 -0.025 0.000 2.253 555 K HA 0.632 5.039 4.320 0.144 0.000 0.277 555 K C -0.706 175.887 176.600 -0.012 0.000 1.053 555 K CA -0.142 56.135 56.287 -0.016 0.000 0.892 555 K CB 0.747 33.239 32.500 -0.012 0.000 1.102 555 K HN 0.487 nan 8.250 nan 0.000 0.469 556 I N 0.000 120.565 120.570 -0.009 0.000 2.984 556 I HA 0.000 4.256 4.170 0.144 0.000 0.288 556 I CA 0.000 61.298 61.300 -0.003 0.000 1.566 556 I CB 0.000 38.000 38.000 -0.000 0.000 1.214 556 I HN 0.000 nan 8.210 nan 0.000 0.494