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 1hox_1_B 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 QREAK 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 0.000 177.620 177.584 0.060 0.000 1.274 1 A CA 0.000 52.067 52.037 0.050 0.000 0.836 1 A CB 0.000 19.040 19.000 0.066 0.000 0.831 2 A N 1.616 124.467 122.820 0.052 0.000 1.865 2 A HA 0.038 4.367 4.320 0.015 0.000 0.217 2 A C 1.991 179.565 177.584 -0.017 0.000 1.191 2 A CA 2.224 54.276 52.037 0.024 0.000 0.623 2 A CB -0.626 18.386 19.000 0.020 0.000 0.826 2 A HN 1.873 nan 8.150 nan 0.000 0.444 3 L N 0.551 121.731 121.223 -0.072 0.000 1.971 3 L HA -0.200 4.149 4.340 0.015 0.000 0.215 3 L C 2.801 179.437 176.870 -0.389 0.000 1.072 3 L CA 3.216 57.856 54.840 -0.333 0.000 0.758 3 L CB -1.163 40.500 42.059 -0.660 0.000 0.889 3 L HN 0.601 nan 8.230 nan 0.000 0.433 4 T N -3.863 110.566 114.554 -0.210 0.000 2.977 4 T HA -0.177 4.182 4.350 0.015 0.000 0.271 4 T C 1.957 176.758 174.700 0.167 0.000 1.105 4 T CA 1.162 63.298 62.100 0.061 0.000 1.116 4 T CB -0.332 68.640 68.868 0.173 0.000 0.878 4 T HN 0.177 nan 8.240 nan 0.000 0.509 5 R N 1.220 121.774 120.500 0.090 0.000 2.223 5 R HA 0.355 4.704 4.340 0.015 0.000 0.198 5 R C 0.632 176.992 176.300 0.099 0.000 0.984 5 R CA -0.200 55.956 56.100 0.092 0.000 1.018 5 R CB -0.662 29.674 30.300 0.059 0.000 0.945 5 R HN 0.565 nan 8.270 nan 0.000 0.479 6 N N 1.144 119.903 118.700 0.098 0.000 2.454 6 N HA -0.028 4.721 4.740 0.015 0.000 0.260 6 N C -1.659 173.942 175.510 0.152 0.000 1.218 6 N CA -0.872 52.240 53.050 0.104 0.000 0.904 6 N CB 1.007 39.543 38.487 0.082 0.000 1.065 6 N HN -0.066 nan 8.380 nan 0.000 0.462 7 P HA -0.130 nan 4.420 nan 0.000 0.219 7 P C 0.524 177.877 177.300 0.089 0.000 1.150 7 P CA 1.202 64.356 63.100 0.089 0.000 0.814 7 P CB 0.333 32.068 31.700 0.058 0.000 0.787 8 Q N -1.022 118.830 119.800 0.086 0.000 2.119 8 Q HA -0.083 4.266 4.340 0.015 0.000 0.201 8 Q C 1.985 178.052 176.000 0.113 0.000 0.972 8 Q CA 1.189 57.031 55.803 0.064 0.000 0.847 8 Q CB -1.269 27.488 28.738 0.031 0.000 0.903 8 Q HN 0.225 nan 8.270 nan 0.000 0.433 9 F N 1.129 121.090 119.950 0.018 0.000 2.113 9 F HA -0.186 4.350 4.527 0.014 0.000 0.297 9 F C 1.907 177.748 175.800 0.068 0.000 1.103 9 F CA 1.550 59.572 58.000 0.037 0.000 1.248 9 F CB -0.151 38.862 39.000 0.021 0.000 0.999 9 F HN 0.065 nan 8.300 nan 0.000 0.475 10 Q N 0.256 120.095 119.800 0.065 0.000 2.096 10 Q HA -0.268 4.080 4.340 0.015 0.000 0.204 10 Q C 2.295 178.280 176.000 -0.026 0.000 0.982 10 Q CA 1.976 57.770 55.803 -0.016 0.000 0.850 10 Q CB -0.456 28.332 28.738 0.083 0.000 0.901 10 Q HN 0.440 nan 8.270 nan 0.000 0.422 11 K N 0.827 121.244 120.400 0.028 0.000 2.063 11 K HA -0.202 4.127 4.320 0.015 0.000 0.208 11 K C 2.078 178.738 176.600 0.099 0.000 1.048 11 K CA 0.977 57.305 56.287 0.069 0.000 0.928 11 K CB -0.108 32.431 32.500 0.065 0.000 0.713 11 K HN 0.110 nan 8.250 nan 0.000 0.442 12 L N 1.725 122.966 121.223 0.029 0.000 2.046 12 L HA -0.197 4.151 4.340 0.015 0.000 0.208 12 L C 2.313 179.265 176.870 0.137 0.000 1.077 12 L CA 1.678 56.568 54.840 0.083 0.000 0.747 12 L CB -0.398 41.668 42.059 0.011 0.000 0.896 12 L HN 0.269 nan 8.230 nan 0.000 0.432 13 Q N -1.161 118.565 119.800 -0.123 0.000 2.050 13 Q HA -0.286 4.063 4.340 0.015 0.000 0.202 13 Q C 2.326 178.357 176.000 0.052 0.000 0.980 13 Q CA 1.908 57.637 55.803 -0.124 0.000 0.840 13 Q CB -0.213 28.345 28.738 -0.300 0.000 0.898 13 Q HN 0.482 nan 8.270 nan 0.000 0.424 14 Q N -0.154 119.682 119.800 0.060 0.000 2.167 14 Q HA -0.166 4.183 4.340 0.015 0.000 0.202 14 Q C 1.406 177.462 176.000 0.093 0.000 0.970 14 Q CA 1.362 57.196 55.803 0.052 0.000 0.855 14 Q CB -0.371 28.391 28.738 0.040 0.000 0.911 14 Q HN 0.470 nan 8.270 nan 0.000 0.438 15 W N -0.361 120.978 121.300 0.065 0.000 2.358 15 W HA -0.220 4.448 4.660 0.014 0.000 0.303 15 W C 2.246 178.865 176.519 0.168 0.000 1.208 15 W CA 2.108 59.551 57.345 0.164 0.000 1.274 15 W CB -0.422 29.183 29.460 0.242 0.000 1.138 15 W HN 0.455 nan 8.180 nan 0.000 0.515 16 H N 0.058 119.410 119.070 0.471 0.000 2.353 16 H HA -0.062 4.502 4.556 0.014 0.000 0.300 16 H C 2.190 177.459 175.328 -0.097 0.000 1.090 16 H CA 2.269 58.460 56.048 0.238 0.000 1.327 16 H CB -0.195 29.542 29.762 -0.043 0.000 1.383 16 H HN 0.023 nan 8.280 nan 0.000 0.508 17 R N -0.405 119.999 120.500 -0.160 0.000 2.235 17 R HA -0.060 4.289 4.340 0.015 0.000 0.213 17 R C 1.045 177.148 176.300 -0.328 0.000 1.059 17 R CA 1.210 57.161 56.100 -0.249 0.000 0.997 17 R CB 0.231 30.458 30.300 -0.121 0.000 0.884 17 R HN 0.315 nan 8.270 nan 0.000 0.462 18 E N -1.147 118.783 120.200 -0.450 0.000 2.603 18 E HA 0.059 4.417 4.350 0.015 0.000 0.211 18 E C 0.174 176.186 176.600 -0.979 0.000 0.995 18 E CA 0.132 56.150 56.400 -0.638 0.000 0.990 18 E CB 0.373 29.672 29.700 -0.667 0.000 1.036 18 E HN 0.262 nan 8.360 nan 0.000 0.475 19 H N -3.223 115.507 119.070 -0.565 0.000 1.690 19 H HA 0.194 4.758 4.556 0.014 0.000 0.146 19 H C 1.661 176.754 175.328 -0.392 0.000 1.057 19 H CA 0.613 56.259 56.048 -0.671 0.000 1.041 19 H CB -0.624 28.203 29.762 -1.559 0.000 0.775 19 H HN 0.143 nan 8.280 nan 0.000 0.305 20 G N 1.200 109.901 108.800 -0.164 0.000 2.728 20 G HA2 -0.383 3.585 3.960 0.015 0.000 0.224 20 G HA3 -0.383 3.585 3.960 0.015 0.000 0.224 20 G C 1.913 176.846 174.900 0.055 0.000 1.123 20 G CA 2.283 47.449 45.100 0.109 0.000 0.755 20 G HN 0.451 nan 8.290 nan 0.000 0.622 21 S N 0.205 115.802 115.700 -0.171 0.000 2.419 21 S HA -0.084 4.395 4.470 0.015 0.000 0.233 21 S C 2.129 176.759 174.600 0.050 0.000 1.016 21 S CA 1.864 60.034 58.200 -0.050 0.000 0.974 21 S CB -0.188 62.933 63.200 -0.131 0.000 0.786 21 S HN 0.444 nan 8.310 nan 0.000 0.492 22 E N 0.483 120.705 120.200 0.036 0.000 2.489 22 E HA 0.263 4.621 4.350 0.015 0.000 0.193 22 E C -0.343 176.322 176.600 0.108 0.000 1.057 22 E CA -0.188 56.241 56.400 0.048 0.000 0.866 22 E CB -0.066 29.638 29.700 0.006 0.000 0.916 22 E HN 0.283 nan 8.360 nan 0.000 0.500 23 L N 2.115 123.460 121.223 0.203 0.000 2.499 23 L HA 0.126 4.475 4.340 0.015 0.000 0.273 23 L C 0.038 177.038 176.870 0.217 0.000 1.195 23 L CA 0.557 55.553 54.840 0.261 0.000 0.882 23 L CB 0.069 42.375 42.059 0.412 0.000 1.133 23 L HN 0.050 nan 8.230 nan 0.000 0.483 24 N N 3.988 122.806 118.700 0.197 0.000 2.480 24 N HA 0.177 4.925 4.740 0.015 0.000 0.289 24 N C 0.789 176.424 175.510 0.208 0.000 1.073 24 N CA -0.441 52.721 53.050 0.185 0.000 0.885 24 N CB 1.137 39.715 38.487 0.152 0.000 1.421 24 N HN 0.520 nan 8.380 nan 0.000 0.503 25 L N 2.523 123.865 121.223 0.198 0.000 1.990 25 L HA -0.191 4.158 4.340 0.015 0.000 0.213 25 L C 2.591 179.664 176.870 0.338 0.000 1.072 25 L CA 1.481 56.468 54.840 0.245 0.000 0.755 25 L CB -0.325 41.894 42.059 0.268 0.000 0.889 25 L HN 0.584 nan 8.230 nan 0.000 0.432 26 R N -0.955 119.706 120.500 0.267 0.000 2.096 26 R HA -0.248 4.101 4.340 0.015 0.000 0.240 26 R C 2.594 179.038 176.300 0.241 0.000 1.139 26 R CA 1.860 58.101 56.100 0.236 0.000 0.952 26 R CB -0.435 29.957 30.300 0.154 0.000 0.854 26 R HN 0.459 nan 8.270 nan 0.000 0.436 27 H N 0.341 119.490 119.070 0.132 0.000 2.353 27 H HA -0.105 4.460 4.556 0.014 0.000 0.300 27 H C 2.081 177.462 175.328 0.088 0.000 1.090 27 H CA 1.872 57.980 56.048 0.100 0.000 1.327 27 H CB -0.019 29.792 29.762 0.081 0.000 1.383 27 H HN 0.236 nan 8.280 nan 0.000 0.508 28 L N -0.325 120.945 121.223 0.079 0.000 2.042 28 L HA -0.209 4.140 4.340 0.015 0.000 0.210 28 L C 2.571 179.350 176.870 -0.152 0.000 1.076 28 L CA 1.243 56.039 54.840 -0.074 0.000 0.749 28 L CB -0.564 41.419 42.059 -0.128 0.000 0.893 28 L HN 0.191 nan 8.230 nan 0.000 0.432 29 F N 0.135 120.078 119.950 -0.011 0.000 2.206 29 F HA -0.181 4.355 4.527 0.014 0.000 0.298 29 F C 2.221 177.999 175.800 -0.036 0.000 1.090 29 F CA 1.081 59.075 58.000 -0.009 0.000 1.323 29 F CB -0.223 38.776 39.000 -0.002 0.000 1.028 29 F HN 0.097 nan 8.300 nan 0.000 0.492 30 D N -0.898 119.570 120.400 0.113 0.000 2.219 30 D HA -0.106 4.543 4.640 0.015 0.000 0.205 30 D C 2.032 178.303 176.300 -0.048 0.000 0.970 30 D CA 1.698 55.712 54.000 0.025 0.000 0.851 30 D CB -0.535 40.268 40.800 0.005 0.000 0.943 30 D HN 0.279 nan 8.370 nan 0.000 0.488 31 T N -2.855 111.623 114.554 -0.127 0.000 3.134 31 T HA 0.171 4.529 4.350 0.015 0.000 0.260 31 T C -0.095 174.570 174.700 -0.057 0.000 1.027 31 T CA -0.522 61.502 62.100 -0.126 0.000 0.913 31 T CB 0.359 69.079 68.868 -0.247 0.000 1.046 31 T HN -0.184 nan 8.240 nan 0.000 0.553 32 D N 0.517 120.900 120.400 -0.028 0.000 2.445 32 D HA 0.250 4.898 4.640 0.015 0.000 0.236 32 D C 0.644 176.949 176.300 0.009 0.000 1.315 32 D CA -0.465 53.531 54.000 -0.006 0.000 0.924 32 D CB 1.243 42.046 40.800 0.005 0.000 1.447 32 D HN -0.071 nan 8.370 nan 0.000 0.532 33 K N 1.031 121.437 120.400 0.010 0.000 2.442 33 K HA -0.050 4.278 4.320 0.015 0.000 0.199 33 K C 0.960 177.556 176.600 -0.008 0.000 1.044 33 K CA 1.245 57.545 56.287 0.022 0.000 0.941 33 K CB 0.297 32.801 32.500 0.007 0.000 0.759 33 K HN 0.302 nan 8.250 nan 0.000 0.472 34 E N -0.603 119.539 120.200 -0.096 0.000 2.474 34 E HA 0.011 4.369 4.350 0.015 0.000 0.195 34 E C 1.297 177.708 176.600 -0.315 0.000 1.039 34 E CA -0.036 56.184 56.400 -0.301 0.000 0.881 34 E CB 0.267 29.605 29.700 -0.604 0.000 0.970 34 E HN 0.287 nan 8.360 nan 0.000 0.486 35 R N 0.262 120.738 120.500 -0.041 0.000 2.094 35 R HA -0.198 4.151 4.340 0.015 0.000 0.239 35 R C 2.118 178.555 176.300 0.229 0.000 1.137 35 R CA 1.568 57.739 56.100 0.119 0.000 0.943 35 R CB -0.335 29.880 30.300 -0.141 0.000 0.850 35 R HN 0.132 nan 8.270 nan 0.000 0.433 36 F N 1.958 121.973 119.950 0.108 0.000 2.095 36 F HA -0.245 4.291 4.527 0.014 0.000 0.298 36 F C 1.865 177.664 175.800 -0.001 0.000 1.104 36 F CA 1.831 59.895 58.000 0.107 0.000 1.232 36 F CB -0.488 38.574 39.000 0.102 0.000 0.987 36 F HN 0.086 nan 8.300 nan 0.000 0.475 37 N N -0.039 118.598 118.700 -0.104 0.000 2.104 37 N HA -0.206 4.543 4.740 0.015 0.000 0.190 37 N C 1.758 177.118 175.510 -0.250 0.000 1.024 37 N CA 2.003 54.907 53.050 -0.243 0.000 0.853 37 N CB -0.911 37.478 38.487 -0.162 0.000 1.008 37 N HN 0.579 nan 8.380 nan 0.000 0.424 38 H N -1.942 116.938 119.070 -0.318 0.000 2.502 38 H HA 0.071 4.636 4.556 0.014 0.000 0.283 38 H C 0.102 174.897 175.328 -0.889 0.000 1.015 38 H CA 0.372 56.059 56.048 -0.601 0.000 1.298 38 H CB 0.123 29.419 29.762 -0.776 0.000 1.411 38 H HN 0.136 nan 8.280 nan 0.000 0.556 39 F N 1.080 120.841 119.950 -0.314 0.000 2.739 39 F HA 0.258 4.794 4.527 0.015 0.000 0.345 39 F C -0.102 174.958 175.800 -1.234 0.000 1.373 39 F CA -0.618 56.888 58.000 -0.823 0.000 1.160 39 F CB 0.773 39.391 39.000 -0.637 0.000 1.137 39 F HN -0.058 nan 8.300 nan 0.000 0.524 40 S N 0.478 115.788 115.700 -0.650 0.000 2.570 40 S HA 0.837 5.316 4.470 0.015 0.000 0.270 40 S C -1.706 172.832 174.600 -0.102 0.000 1.149 40 S CA -0.814 57.135 58.200 -0.419 0.000 0.837 40 S CB 2.507 65.247 63.200 -0.767 0.000 1.124 40 S HN 0.174 nan 8.310 nan 0.000 0.465 41 L N 1.182 122.447 121.223 0.070 0.000 2.470 41 L HA 0.749 5.097 4.340 0.015 0.000 0.268 41 L C -1.009 175.937 176.870 0.126 0.000 0.964 41 L CA 0.183 55.100 54.840 0.129 0.000 0.839 41 L CB 2.257 44.457 42.059 0.234 0.000 1.276 41 L HN 0.949 nan 8.230 nan 0.000 0.403 42 T N 5.592 120.219 114.554 0.121 0.000 2.797 42 T HA 0.684 5.043 4.350 0.015 0.000 0.279 42 T C -0.957 173.854 174.700 0.185 0.000 0.991 42 T CA -0.277 61.917 62.100 0.157 0.000 0.979 42 T CB 1.098 70.057 68.868 0.152 0.000 0.943 42 T HN 0.272 nan 8.240 nan 0.000 0.444 43 L N 3.684 125.011 121.223 0.173 0.000 2.325 43 L HA 0.442 4.791 4.340 0.015 0.000 0.281 43 L C 0.283 177.137 176.870 -0.027 0.000 1.004 43 L CA -0.461 54.468 54.840 0.148 0.000 0.823 43 L CB 1.396 43.536 42.059 0.135 0.000 1.236 43 L HN 0.620 nan 8.230 nan 0.000 0.415 44 N N 0.661 119.325 118.700 -0.061 0.000 2.457 44 N HA 0.194 4.943 4.740 0.015 0.000 0.250 44 N C 0.591 175.886 175.510 -0.359 0.000 0.982 44 N CA 0.031 52.820 53.050 -0.434 0.000 0.941 44 N CB 1.004 39.333 38.487 -0.263 0.000 1.120 44 N HN 0.748 nan 8.380 nan 0.000 0.505 45 T N 0.416 114.584 114.554 -0.644 0.000 3.086 45 T HA 0.177 4.535 4.350 0.015 0.000 0.250 45 T C 0.584 174.970 174.700 -0.522 0.000 1.074 45 T CA 0.093 61.687 62.100 -0.844 0.000 0.988 45 T CB -0.412 67.883 68.868 -0.956 0.000 0.988 45 T HN 0.849 nan 8.240 nan 0.000 0.530 46 N N 0.263 118.657 118.700 -0.510 0.000 2.972 46 N HA -0.173 4.575 4.740 0.015 0.000 0.225 46 N C -0.408 174.563 175.510 -0.899 0.000 0.883 46 N CA 1.224 53.917 53.050 -0.595 0.000 1.010 46 N CB -1.072 37.070 38.487 -0.576 0.000 1.052 46 N HN 0.559 nan 8.380 nan 0.000 0.598 47 H N -0.437 118.353 119.070 -0.467 0.000 2.637 47 H HA 0.483 5.048 4.556 0.015 0.000 0.245 47 H C 0.918 176.069 175.328 -0.295 0.000 1.190 47 H CA 0.730 56.488 56.048 -0.485 0.000 0.934 47 H CB 0.762 29.909 29.762 -1.025 0.000 1.950 47 H HN 0.431 nan 8.280 nan 0.000 0.614 48 G N 0.590 109.278 108.800 -0.187 0.000 2.402 48 G HA2 -0.086 3.882 3.960 0.015 0.000 0.666 48 G HA3 -0.086 3.882 3.960 0.015 0.000 0.666 48 G C -1.372 173.434 174.900 -0.158 0.000 1.402 48 G CA -1.007 44.059 45.100 -0.057 0.000 0.920 48 G HN 0.325 nan 8.290 nan 0.000 0.651 49 H N -0.423 118.637 119.070 -0.015 0.000 2.502 49 H HA 0.685 5.249 4.556 0.014 0.000 0.338 49 H C -0.089 175.270 175.328 0.052 0.000 1.155 49 H CA -0.154 55.889 56.048 -0.009 0.000 1.237 49 H CB 1.989 31.759 29.762 0.014 0.000 1.534 49 H HN 0.406 nan 8.280 nan 0.000 0.523 50 I N 3.253 123.915 120.570 0.154 0.000 2.468 50 I HA 0.047 4.226 4.170 0.015 0.000 0.285 50 I C -0.916 175.312 176.117 0.185 0.000 1.039 50 I CA -0.745 60.662 61.300 0.178 0.000 1.074 50 I CB 2.098 40.150 38.000 0.087 0.000 1.228 50 I HN 0.120 nan 8.210 nan 0.000 0.436 51 L N 8.239 129.588 121.223 0.210 0.000 2.262 51 L HA 0.510 4.859 4.340 0.015 0.000 0.288 51 L C -1.105 175.901 176.870 0.226 0.000 1.035 51 L CA -0.432 54.529 54.840 0.202 0.000 0.820 51 L CB 1.260 43.441 42.059 0.205 0.000 1.204 51 L HN 0.526 nan 8.230 nan 0.000 0.424 52 L N 5.423 126.774 121.223 0.214 0.000 2.272 52 L HA 0.483 4.832 4.340 0.015 0.000 0.284 52 L C -0.868 176.175 176.870 0.288 0.000 1.045 52 L CA 0.073 55.066 54.840 0.255 0.000 0.842 52 L CB 0.625 42.824 42.059 0.233 0.000 1.224 52 L HN 0.668 nan 8.230 nan 0.000 0.430 53 D N 3.788 124.362 120.400 0.289 0.000 2.412 53 D HA 0.160 4.808 4.640 0.015 0.000 0.224 53 D C -0.259 176.217 176.300 0.294 0.000 1.093 53 D CA -0.212 53.934 54.000 0.242 0.000 0.850 53 D CB 0.502 41.509 40.800 0.346 0.000 1.046 53 D HN 0.550 nan 8.370 nan 0.000 0.507 54 Y N 1.492 121.908 120.300 0.193 0.000 2.681 54 Y HA 0.236 4.794 4.550 0.014 0.000 0.267 54 Y C 1.522 177.530 175.900 0.180 0.000 1.166 54 Y CA -0.277 57.936 58.100 0.189 0.000 1.209 54 Y CB -0.286 38.277 38.460 0.172 0.000 1.161 54 Y HN 0.211 nan 8.280 nan 0.000 0.534 55 S N 0.227 115.960 115.700 0.055 0.000 2.453 55 S HA -0.058 4.421 4.470 0.015 0.000 0.231 55 S C 1.148 175.860 174.600 0.186 0.000 1.005 55 S CA 0.355 58.590 58.200 0.059 0.000 0.949 55 S CB -0.270 63.102 63.200 0.286 0.000 0.774 55 S HN 0.512 nan 8.310 nan 0.000 0.510 56 K N 1.802 122.383 120.400 0.302 0.000 2.627 56 K HA 0.252 4.581 4.320 0.015 0.000 0.212 56 K C -0.384 176.338 176.600 0.203 0.000 1.041 56 K CA -0.146 56.329 56.287 0.312 0.000 1.205 56 K CB -0.129 32.465 32.500 0.157 0.000 0.936 56 K HN 0.388 nan 8.250 nan 0.000 0.489 57 N N 0.829 119.627 118.700 0.163 0.000 2.430 57 N HA 0.180 4.929 4.740 0.015 0.000 0.298 57 N C -0.414 175.192 175.510 0.159 0.000 1.130 57 N CA -0.604 52.587 53.050 0.235 0.000 0.894 57 N CB 1.328 39.996 38.487 0.303 0.000 1.209 57 N HN -0.098 nan 8.380 nan 0.000 0.503 58 L N 2.024 123.435 121.223 0.313 0.000 2.376 58 L HA 0.140 4.489 4.340 0.015 0.000 0.250 58 L C 0.196 177.254 176.870 0.312 0.000 1.335 58 L CA 0.096 55.130 54.840 0.322 0.000 1.214 58 L CB -1.310 40.991 42.059 0.403 0.000 1.395 58 L HN 0.284 nan 8.230 nan 0.000 0.424 59 V N -2.014 117.901 119.914 0.002 0.000 3.202 59 V HA 1.023 5.152 4.120 0.015 0.000 0.306 59 V C -0.208 175.736 176.094 -0.249 0.000 1.283 59 V CA -0.403 61.782 62.300 -0.192 0.000 1.065 59 V CB 2.220 33.849 31.823 -0.323 0.000 1.079 59 V HN 0.363 nan 8.190 nan 0.000 0.448 60 T N -2.958 111.492 114.554 -0.174 0.000 2.787 60 T HA 0.517 4.876 4.350 0.015 0.000 0.297 60 T C 0.472 175.268 174.700 0.161 0.000 1.221 60 T CA -0.163 61.955 62.100 0.029 0.000 1.006 60 T CB 1.967 70.865 68.868 0.051 0.000 1.328 60 T HN 0.742 nan 8.240 nan 0.000 0.509 61 E N 0.648 120.997 120.200 0.249 0.000 2.097 61 E HA -0.239 4.120 4.350 0.015 0.000 0.196 61 E C 1.701 178.281 176.600 -0.035 0.000 1.000 61 E CA 1.792 58.233 56.400 0.068 0.000 0.804 61 E CB -0.146 29.520 29.700 -0.056 0.000 0.740 61 E HN 0.871 nan 8.360 nan 0.000 0.454 62 E N 0.721 120.870 120.200 -0.085 0.000 2.058 62 E HA -0.159 4.200 4.350 0.015 0.000 0.194 62 E C 2.236 178.618 176.600 -0.364 0.000 0.997 62 E CA 1.265 57.562 56.400 -0.173 0.000 0.801 62 E CB 0.168 29.773 29.700 -0.159 0.000 0.746 62 E HN 0.013 nan 8.360 nan 0.000 0.450 63 V N 1.092 120.668 119.914 -0.562 0.000 2.343 63 V HA -0.291 3.838 4.120 0.015 0.000 0.247 63 V C 2.475 178.254 176.094 -0.526 0.000 1.051 63 V CA 1.571 63.385 62.300 -0.810 0.000 1.036 63 V CB -0.413 30.795 31.823 -1.025 0.000 0.654 63 V HN 0.407 nan 8.190 nan 0.000 0.451 64 M N -0.504 118.923 119.600 -0.289 0.000 2.117 64 M HA -0.178 4.311 4.480 0.015 0.000 0.262 64 M C 2.222 178.456 176.300 -0.109 0.000 1.065 64 M CA 1.983 57.192 55.300 -0.152 0.000 1.114 64 M CB -1.594 31.032 32.600 0.043 0.000 1.361 64 M HN 0.508 nan 8.290 nan 0.000 0.408 65 H N 0.367 119.330 119.070 -0.179 0.000 2.353 65 H HA -0.027 4.537 4.556 0.015 0.000 0.300 65 H C 1.935 177.172 175.328 -0.151 0.000 1.090 65 H CA 2.019 57.979 56.048 -0.145 0.000 1.327 65 H CB -0.049 29.633 29.762 -0.133 0.000 1.383 65 H HN 0.279 nan 8.280 nan 0.000 0.508 66 M N -0.608 118.842 119.600 -0.250 0.000 2.117 66 M HA -0.132 4.356 4.480 0.015 0.000 0.262 66 M C 2.357 178.523 176.300 -0.222 0.000 1.065 66 M CA 1.336 56.473 55.300 -0.270 0.000 1.114 66 M CB -0.237 32.202 32.600 -0.267 0.000 1.361 66 M HN 0.264 nan 8.290 nan 0.000 0.408 67 L N 0.119 121.203 121.223 -0.232 0.000 2.042 67 L HA -0.229 4.120 4.340 0.015 0.000 0.210 67 L C 2.374 179.164 176.870 -0.133 0.000 1.076 67 L CA 1.230 55.972 54.840 -0.164 0.000 0.749 67 L CB -0.598 41.335 42.059 -0.211 0.000 0.893 67 L HN 0.338 nan 8.230 nan 0.000 0.432 68 L N -0.767 120.362 121.223 -0.156 0.000 2.141 68 L HA -0.196 4.153 4.340 0.015 0.000 0.209 68 L C 2.186 178.963 176.870 -0.154 0.000 1.094 68 L CA 0.815 55.577 54.840 -0.131 0.000 0.763 68 L CB -0.521 41.476 42.059 -0.103 0.000 0.908 68 L HN 0.272 nan 8.230 nan 0.000 0.437 69 D N -0.001 120.258 120.400 -0.235 0.000 2.117 69 D HA -0.179 4.470 4.640 0.015 0.000 0.197 69 D C 2.064 178.297 176.300 -0.112 0.000 0.987 69 D CA 1.042 54.913 54.000 -0.214 0.000 0.829 69 D CB -0.074 40.556 40.800 -0.283 0.000 0.961 69 D HN 0.140 nan 8.370 nan 0.000 0.460 70 L N 1.145 122.318 121.223 -0.084 0.000 2.017 70 L HA -0.101 4.248 4.340 0.015 0.000 0.208 70 L C 2.152 178.998 176.870 -0.040 0.000 1.073 70 L CA 1.924 56.749 54.840 -0.024 0.000 0.745 70 L CB -0.889 41.188 42.059 0.030 0.000 0.894 70 L HN -0.030 nan 8.230 nan 0.000 0.432 71 A N -0.366 122.419 122.820 -0.058 0.000 1.883 71 A HA -0.312 4.017 4.320 0.015 0.000 0.217 71 A C 2.483 180.038 177.584 -0.048 0.000 1.186 71 A CA 2.256 54.259 52.037 -0.056 0.000 0.624 71 A CB -0.738 18.232 19.000 -0.050 0.000 0.822 71 A HN 0.556 nan 8.150 nan 0.000 0.444 72 K N 0.217 120.584 120.400 -0.056 0.000 2.026 72 K HA -0.163 4.166 4.320 0.015 0.000 0.208 72 K C 2.206 178.781 176.600 -0.041 0.000 1.048 72 K CA 1.949 58.205 56.287 -0.051 0.000 0.929 72 K CB -0.253 32.209 32.500 -0.063 0.000 0.713 72 K HN 0.597 nan 8.250 nan 0.000 0.439 73 S N 0.126 115.803 115.700 -0.039 0.000 2.474 73 S HA -0.005 4.473 4.470 0.015 0.000 0.235 73 S C 1.516 176.104 174.600 -0.021 0.000 0.997 73 S CA 0.321 58.506 58.200 -0.024 0.000 0.949 73 S CB -0.071 63.121 63.200 -0.014 0.000 0.766 73 S HN 0.240 nan 8.310 nan 0.000 0.517 74 R N 1.046 121.528 120.500 -0.030 0.000 2.334 74 R HA 0.261 4.609 4.340 0.015 0.000 0.220 74 R C 1.423 177.704 176.300 -0.032 0.000 0.917 74 R CA 0.487 56.564 56.100 -0.037 0.000 1.073 74 R CB -0.860 29.401 30.300 -0.064 0.000 1.056 74 R HN 0.628 nan 8.270 nan 0.000 0.506 75 G N 0.949 109.735 108.800 -0.024 0.000 2.198 75 G HA2 -0.272 3.697 3.960 0.015 0.000 0.257 75 G HA3 -0.272 3.697 3.960 0.015 0.000 0.257 75 G C 0.942 175.843 174.900 0.001 0.000 1.042 75 G CA 0.397 45.489 45.100 -0.013 0.000 0.791 75 G HN 0.185 nan 8.290 nan 0.000 0.502 76 V N -0.033 119.880 119.914 -0.002 0.000 2.282 76 V HA -0.266 3.863 4.120 0.015 0.000 0.249 76 V C 2.684 178.825 176.094 0.079 0.000 1.057 76 V CA 2.977 65.306 62.300 0.048 0.000 1.032 76 V CB -0.542 31.313 31.823 0.053 0.000 0.645 76 V HN 0.709 nan 8.190 nan 0.000 0.447 77 E N 0.453 120.648 120.200 -0.008 0.000 2.038 77 E HA -0.221 4.138 4.350 0.015 0.000 0.195 77 E C 2.347 178.914 176.600 -0.055 0.000 1.000 77 E CA 1.395 57.747 56.400 -0.080 0.000 0.803 77 E CB -0.425 29.207 29.700 -0.113 0.000 0.750 77 E HN 0.602 nan 8.360 nan 0.000 0.448 78 A N 1.649 124.456 122.820 -0.021 0.000 1.902 78 A HA -0.132 4.197 4.320 0.015 0.000 0.217 78 A C 2.434 180.052 177.584 0.057 0.000 1.181 78 A CA 1.768 53.803 52.037 -0.005 0.000 0.623 78 A CB -0.711 18.288 19.000 -0.002 0.000 0.818 78 A HN 0.296 nan 8.150 nan 0.000 0.443 79 A N -0.282 122.611 122.820 0.120 0.000 1.908 79 A HA -0.198 4.131 4.320 0.015 0.000 0.218 79 A C 2.266 180.105 177.584 0.425 0.000 1.181 79 A CA 1.817 54.009 52.037 0.259 0.000 0.627 79 A CB -0.547 18.589 19.000 0.227 0.000 0.818 79 A HN 0.572 nan 8.150 nan 0.000 0.445 80 R N -0.478 120.237 120.500 0.359 0.000 2.083 80 R HA -0.174 4.175 4.340 0.015 0.000 0.237 80 R C 1.912 178.247 176.300 0.058 0.000 1.137 80 R CA 1.754 57.941 56.100 0.144 0.000 0.951 80 R CB -0.267 29.897 30.300 -0.228 0.000 0.851 80 R HN 0.460 nan 8.270 nan 0.000 0.434 81 E N 0.381 120.553 120.200 -0.047 0.000 2.085 81 E HA -0.133 4.225 4.350 0.015 0.000 0.194 81 E C 2.059 178.670 176.600 0.019 0.000 0.994 81 E CA 1.375 57.735 56.400 -0.066 0.000 0.801 81 E CB -0.304 29.333 29.700 -0.105 0.000 0.743 81 E HN 0.283 nan 8.360 nan 0.000 0.453 82 S N 0.864 116.591 115.700 0.045 0.000 2.382 82 S HA -0.131 4.347 4.470 0.015 0.000 0.228 82 S C 1.888 176.495 174.600 0.011 0.000 1.027 82 S CA 1.309 59.531 58.200 0.037 0.000 0.991 82 S CB -0.175 63.067 63.200 0.070 0.000 0.823 82 S HN 0.297 nan 8.310 nan 0.000 0.469 83 M N 0.202 119.819 119.600 0.028 0.000 2.077 83 M HA -0.083 4.405 4.480 0.015 0.000 0.261 83 M C 1.506 177.668 176.300 -0.230 0.000 1.070 83 M CA 1.731 56.949 55.300 -0.137 0.000 1.125 83 M CB -0.257 32.176 32.600 -0.277 0.000 1.339 83 M HN 0.251 nan 8.290 nan 0.000 0.409 84 F N 1.130 120.924 119.950 -0.260 0.000 2.216 84 F HA -0.164 4.371 4.527 0.015 0.000 0.300 84 F C 1.995 177.661 175.800 -0.223 0.000 1.085 84 F CA 1.215 59.062 58.000 -0.255 0.000 1.326 84 F CB -0.732 38.120 39.000 -0.247 0.000 1.027 84 F HN 0.316 nan 8.300 nan 0.000 0.497 85 N N -0.146 118.549 118.700 -0.009 0.000 2.521 85 N HA 0.041 4.790 4.740 0.015 0.000 0.188 85 N C 1.716 177.149 175.510 -0.128 0.000 1.146 85 N CA 1.079 54.089 53.050 -0.067 0.000 0.893 85 N CB -0.042 38.415 38.487 -0.050 0.000 0.975 85 N HN 0.348 nan 8.380 nan 0.000 0.451 86 G N 0.858 109.549 108.800 -0.182 0.000 2.143 86 G HA2 -0.277 3.692 3.960 0.015 0.000 0.249 86 G HA3 -0.277 3.692 3.960 0.015 0.000 0.249 86 G C -0.141 174.665 174.900 -0.156 0.000 0.981 86 G CA -0.130 44.826 45.100 -0.239 0.000 0.665 86 G HN 0.402 nan 8.290 nan 0.000 0.528 87 E N 0.228 120.370 120.200 -0.097 0.000 2.404 87 E HA 0.268 4.627 4.350 0.015 0.000 0.261 87 E C 0.498 177.080 176.600 -0.031 0.000 1.074 87 E CA -0.035 56.338 56.400 -0.045 0.000 0.917 87 E CB 0.422 30.114 29.700 -0.013 0.000 0.965 87 E HN 0.308 nan 8.360 nan 0.000 0.433 88 K N 3.287 123.691 120.400 0.006 0.000 2.480 88 K HA 0.062 4.391 4.320 0.015 0.000 0.241 88 K C 1.104 177.745 176.600 0.068 0.000 1.261 88 K CA -0.012 56.298 56.287 0.039 0.000 1.193 88 K CB -0.565 31.971 32.500 0.060 0.000 1.598 88 K HN 0.519 nan 8.250 nan 0.000 0.278 89 I N -2.324 118.286 120.570 0.065 0.000 2.916 89 I HA -0.151 4.027 4.170 0.015 0.000 0.267 89 I C 0.588 176.819 176.117 0.190 0.000 1.263 89 I CA 0.781 62.158 61.300 0.128 0.000 1.471 89 I CB -0.230 37.868 38.000 0.165 0.000 1.089 89 I HN 0.277 nan 8.210 nan 0.000 0.468 90 N N 2.163 120.966 118.700 0.172 0.000 2.671 90 N HA 0.010 4.759 4.740 0.015 0.000 0.274 90 N C 1.495 177.130 175.510 0.207 0.000 1.188 90 N CA 0.360 53.555 53.050 0.243 0.000 1.065 90 N CB 0.444 39.062 38.487 0.218 0.000 1.415 90 N HN 0.437 nan 8.380 nan 0.000 0.511 91 S N 0.992 116.812 115.700 0.201 0.000 2.370 91 S HA -0.246 4.233 4.470 0.015 0.000 0.226 91 S C 2.060 176.770 174.600 0.183 0.000 1.033 91 S CA 1.871 60.170 58.200 0.165 0.000 1.011 91 S CB -0.871 62.413 63.200 0.139 0.000 0.852 91 S HN 0.675 nan 8.310 nan 0.000 0.457 92 T N -0.233 114.469 114.554 0.247 0.000 2.915 92 T HA 0.055 4.414 4.350 0.015 0.000 0.269 92 T C 1.400 176.324 174.700 0.372 0.000 1.071 92 T CA 1.199 63.487 62.100 0.313 0.000 1.132 92 T CB -0.421 68.765 68.868 0.529 0.000 0.878 92 T HN 0.653 nan 8.240 nan 0.000 0.479 93 E N 0.527 120.922 120.200 0.325 0.000 2.526 93 E HA 0.141 4.500 4.350 0.015 0.000 0.208 93 E C -0.129 176.590 176.600 0.197 0.000 0.997 93 E CA 0.013 56.584 56.400 0.286 0.000 0.961 93 E CB 0.236 30.068 29.700 0.221 0.000 1.030 93 E HN 0.448 nan 8.360 nan 0.000 0.483 94 D N 1.584 122.089 120.400 0.174 0.000 2.737 94 D HA -0.195 4.454 4.640 0.015 0.000 0.238 94 D C -0.781 175.600 176.300 0.134 0.000 1.157 94 D CA 0.846 54.928 54.000 0.135 0.000 0.694 94 D CB -0.646 40.223 40.800 0.115 0.000 1.021 94 D HN 0.063 nan 8.370 nan 0.000 0.420 95 R N -0.244 120.342 120.500 0.144 0.000 2.795 95 R HA 0.870 5.219 4.340 0.015 0.000 0.275 95 R C -0.196 176.181 176.300 0.127 0.000 0.981 95 R CA -0.211 55.982 56.100 0.156 0.000 0.917 95 R CB 1.571 31.977 30.300 0.176 0.000 1.202 95 R HN 0.171 nan 8.270 nan 0.000 0.469 96 A N 1.151 124.055 122.820 0.140 0.000 2.296 96 A HA 0.508 4.837 4.320 0.015 0.000 0.264 96 A C -0.719 176.887 177.584 0.038 0.000 1.097 96 A CA -0.351 51.704 52.037 0.031 0.000 0.811 96 A CB 0.786 19.738 19.000 -0.080 0.000 1.072 96 A HN 0.384 nan 8.150 nan 0.000 0.495 97 V N 1.345 121.171 119.914 -0.146 0.000 2.380 97 V HA 0.280 4.409 4.120 0.015 0.000 0.272 97 V C -0.549 175.330 176.094 -0.359 0.000 1.011 97 V CA 0.153 62.288 62.300 -0.275 0.000 0.826 97 V CB 0.449 31.835 31.823 -0.729 0.000 1.040 97 V HN 0.664 nan 8.190 nan 0.000 0.441 98 L N 4.998 126.145 121.223 -0.127 0.000 2.892 98 L HA 0.369 4.717 4.340 0.015 0.000 0.251 98 L C 1.604 178.450 176.870 -0.040 0.000 1.339 98 L CA -0.345 54.311 54.840 -0.306 0.000 0.900 98 L CB 0.140 41.792 42.059 -0.678 0.000 1.246 98 L HN 0.756 nan 8.230 nan 0.000 0.524 99 H N -0.482 118.580 119.070 -0.013 0.000 2.502 99 H HA -0.047 4.518 4.556 0.015 0.000 0.283 99 H C 1.953 177.218 175.328 -0.105 0.000 1.015 99 H CA 1.444 57.549 56.048 0.095 0.000 1.298 99 H CB -0.381 29.481 29.762 0.168 0.000 1.411 99 H HN 0.458 nan 8.280 nan 0.000 0.556 100 V N -0.404 119.215 119.914 -0.490 0.000 2.626 100 V HA 0.008 4.137 4.120 0.015 0.000 0.252 100 V C 2.690 178.633 176.094 -0.252 0.000 1.067 100 V CA 1.245 63.289 62.300 -0.426 0.000 1.081 100 V CB -1.076 30.292 31.823 -0.757 0.000 0.686 100 V HN 0.445 nan 8.190 nan 0.000 0.468 101 A N 0.737 123.412 122.820 -0.241 0.000 1.968 101 A HA 0.114 4.443 4.320 0.015 0.000 0.217 101 A C 2.168 179.744 177.584 -0.014 0.000 1.169 101 A CA 1.639 53.569 52.037 -0.178 0.000 0.638 101 A CB -0.569 18.218 19.000 -0.355 0.000 0.812 101 A HN 0.584 nan 8.150 nan 0.000 0.446 102 L N -0.328 120.970 121.223 0.124 0.000 2.191 102 L HA -0.118 4.231 4.340 0.015 0.000 0.212 102 L C 2.314 179.263 176.870 0.130 0.000 1.103 102 L CA 1.404 56.392 54.840 0.248 0.000 0.769 102 L CB -0.336 41.965 42.059 0.404 0.000 0.908 102 L HN 0.548 nan 8.230 nan 0.000 0.438 103 R N -0.728 119.766 120.500 -0.010 0.000 2.577 103 R HA 0.092 4.441 4.340 0.015 0.000 0.344 103 R C 0.173 176.379 176.300 -0.156 0.000 1.037 103 R CA -0.221 55.829 56.100 -0.082 0.000 1.102 103 R CB -0.646 29.535 30.300 -0.199 0.000 1.313 103 R HN 0.020 nan 8.270 nan 0.000 0.561 104 N N 2.355 120.965 118.700 -0.150 0.000 2.744 104 N HA 0.001 4.750 4.740 0.015 0.000 0.290 104 N C 0.570 175.835 175.510 -0.409 0.000 1.206 104 N CA -0.152 52.739 53.050 -0.265 0.000 1.119 104 N CB 0.480 38.900 38.487 -0.112 0.000 1.449 104 N HN 0.073 nan 8.380 nan 0.000 0.514 105 R N 0.752 120.805 120.500 -0.746 0.000 2.193 105 R HA -0.015 4.333 4.340 0.015 0.000 0.229 105 R C 1.209 177.353 176.300 -0.260 0.000 1.110 105 R CA 0.587 56.446 56.100 -0.402 0.000 0.988 105 R CB -0.692 29.430 30.300 -0.295 0.000 0.871 105 R HN 0.394 nan 8.270 nan 0.000 0.458 106 S N 1.223 116.735 115.700 -0.313 0.000 2.474 106 S HA -0.036 4.443 4.470 0.015 0.000 0.235 106 S C 0.496 175.074 174.600 -0.037 0.000 0.997 106 S CA 0.206 58.384 58.200 -0.037 0.000 0.949 106 S CB -0.160 63.110 63.200 0.117 0.000 0.766 106 S HN 0.340 nan 8.310 nan 0.000 0.517 107 N N 1.412 120.066 118.700 -0.076 0.000 2.713 107 N HA -0.132 4.617 4.740 0.015 0.000 0.251 107 N C -0.147 175.342 175.510 -0.035 0.000 1.117 107 N CA 1.365 54.386 53.050 -0.048 0.000 0.770 107 N CB -1.999 36.473 38.487 -0.024 0.000 1.137 107 N HN 0.689 nan 8.380 nan 0.000 0.566 108 T N -0.171 114.368 114.554 -0.025 0.000 2.902 108 T HA 0.274 4.632 4.350 0.015 0.000 0.301 108 T C -2.040 172.633 174.700 -0.047 0.000 1.012 108 T CA -1.089 60.997 62.100 -0.024 0.000 1.151 108 T CB 1.318 70.180 68.868 -0.009 0.000 0.946 108 T HN 0.039 nan 8.240 nan 0.000 0.542 109 P HA 0.250 nan 4.420 nan 0.000 0.266 109 P C -0.655 176.588 177.300 -0.096 0.000 1.195 109 P CA -0.126 62.930 63.100 -0.073 0.000 0.768 109 P CB 0.437 32.102 31.700 -0.060 0.000 0.838 110 I N 2.549 123.037 120.570 -0.137 0.000 2.503 110 I HA 0.189 4.367 4.170 0.015 0.000 0.282 110 I C -0.022 175.970 176.117 -0.208 0.000 1.059 110 I CA -1.052 60.138 61.300 -0.183 0.000 1.081 110 I CB 2.223 40.069 38.000 -0.257 0.000 1.210 110 I HN 0.079 nan 8.210 nan 0.000 0.450 111 V N 7.616 127.432 119.914 -0.165 0.000 2.439 111 V HA 0.417 4.546 4.120 0.015 0.000 0.282 111 V C 0.113 176.110 176.094 -0.162 0.000 1.039 111 V CA 0.230 62.443 62.300 -0.146 0.000 0.913 111 V CB 1.918 33.685 31.823 -0.094 0.000 0.983 111 V HN 0.581 nan 8.190 nan 0.000 0.460 112 V N 4.318 124.135 119.914 -0.162 0.000 2.695 112 V HA 0.275 4.404 4.120 0.015 0.000 0.230 112 V C 0.680 176.739 176.094 -0.059 0.000 1.110 112 V CA 0.652 62.867 62.300 -0.142 0.000 1.159 112 V CB -0.038 31.681 31.823 -0.174 0.000 0.875 112 V HN 0.859 nan 8.190 nan 0.000 0.502 113 D N 0.316 120.702 120.400 -0.025 0.000 3.133 113 D HA 0.423 5.071 4.640 0.015 0.000 0.288 113 D C 1.120 177.417 176.300 -0.006 0.000 1.346 113 D CA 0.800 54.801 54.000 0.002 0.000 0.934 113 D CB 0.164 40.985 40.800 0.035 0.000 1.042 113 D HN 0.545 nan 8.370 nan 0.000 0.506 114 G N 1.221 110.007 108.800 -0.023 0.000 2.189 114 G HA2 -0.306 3.663 3.960 0.015 0.000 0.267 114 G HA3 -0.306 3.663 3.960 0.015 0.000 0.267 114 G C 0.375 175.259 174.900 -0.026 0.000 0.975 114 G CA 0.154 45.241 45.100 -0.022 0.000 0.644 114 G HN 0.372 nan 8.290 nan 0.000 0.537 115 K N 0.350 120.729 120.400 -0.034 0.000 2.378 115 K HA 0.393 4.722 4.320 0.015 0.000 0.252 115 K C -1.184 175.373 176.600 -0.071 0.000 0.931 115 K CA -0.978 55.287 56.287 -0.037 0.000 0.794 115 K CB 1.984 34.476 32.500 -0.013 0.000 1.181 115 K HN 0.116 nan 8.250 nan 0.000 0.425 116 D N 1.671 122.028 120.400 -0.072 0.000 2.425 116 D HA -0.013 4.636 4.640 0.015 0.000 0.247 116 D C 0.712 176.938 176.300 -0.125 0.000 1.147 116 D CA 0.106 54.046 54.000 -0.102 0.000 0.879 116 D CB 1.228 41.983 40.800 -0.075 0.000 1.179 116 D HN 0.151 nan 8.370 nan 0.000 0.456 117 V N 4.413 124.207 119.914 -0.200 0.000 2.649 117 V HA -0.164 3.965 4.120 0.015 0.000 0.248 117 V C 2.058 178.027 176.094 -0.208 0.000 1.054 117 V CA 0.905 63.050 62.300 -0.258 0.000 1.073 117 V CB -0.337 31.192 31.823 -0.489 0.000 0.699 117 V HN 0.673 nan 8.190 nan 0.000 0.463 118 M N -0.256 119.252 119.600 -0.154 0.000 2.108 118 M HA -0.151 4.338 4.480 0.015 0.000 0.257 118 M C 0.057 176.337 176.300 -0.034 0.000 1.071 118 M CA 2.175 57.424 55.300 -0.086 0.000 1.093 118 M CB -2.755 29.805 32.600 -0.067 0.000 1.345 118 M HN 0.251 nan 8.290 nan 0.000 0.403 119 P HA -0.155 nan 4.420 nan 0.000 0.215 119 P C 1.511 178.842 177.300 0.053 0.000 1.157 119 P CA 1.215 64.325 63.100 0.017 0.000 0.874 119 P CB -0.114 31.593 31.700 0.011 0.000 0.790 120 E N -0.600 119.613 120.200 0.022 0.000 2.077 120 E HA -0.103 4.255 4.350 0.015 0.000 0.193 120 E C 2.148 178.873 176.600 0.210 0.000 0.989 120 E CA 0.933 57.404 56.400 0.119 0.000 0.800 120 E CB -1.137 28.570 29.700 0.013 0.000 0.746 120 E HN 0.082 nan 8.360 nan 0.000 0.452 121 V N 2.776 122.700 119.914 0.017 0.000 2.233 121 V HA -0.283 3.845 4.120 0.015 0.000 0.247 121 V C 2.005 178.272 176.094 0.287 0.000 1.050 121 V CA 1.981 64.401 62.300 0.199 0.000 1.010 121 V CB -0.589 31.293 31.823 0.098 0.000 0.637 121 V HN 0.230 nan 8.190 nan 0.000 0.444 122 N N -0.039 118.771 118.700 0.183 0.000 2.223 122 N HA -0.181 4.568 4.740 0.015 0.000 0.185 122 N C 1.826 177.453 175.510 0.195 0.000 1.016 122 N CA 1.382 54.542 53.050 0.184 0.000 0.863 122 N CB -0.342 38.216 38.487 0.119 0.000 0.983 122 N HN 0.550 nan 8.380 nan 0.000 0.429 123 K N 1.189 121.703 120.400 0.189 0.000 2.032 123 K HA -0.076 4.252 4.320 0.015 0.000 0.209 123 K C 1.806 178.529 176.600 0.205 0.000 1.048 123 K CA 1.058 57.448 56.287 0.172 0.000 0.927 123 K CB 0.022 32.623 32.500 0.167 0.000 0.712 123 K HN -0.114 nan 8.250 nan 0.000 0.441 124 V N 1.855 121.948 119.914 0.300 0.000 2.343 124 V HA -0.246 3.882 4.120 0.015 0.000 0.247 124 V C 2.356 178.645 176.094 0.326 0.000 1.051 124 V CA 1.559 64.046 62.300 0.313 0.000 1.036 124 V CB -0.393 31.671 31.823 0.400 0.000 0.654 124 V HN 0.329 nan 8.190 nan 0.000 0.451 125 L N -0.205 121.234 121.223 0.360 0.000 2.042 125 L HA -0.212 4.136 4.340 0.015 0.000 0.210 125 L C 2.420 179.411 176.870 0.202 0.000 1.076 125 L CA 1.657 56.756 54.840 0.432 0.000 0.749 125 L CB -0.735 41.615 42.059 0.485 0.000 0.893 125 L HN 0.365 nan 8.230 nan 0.000 0.432 126 D N -0.075 120.403 120.400 0.129 0.000 2.097 126 D HA -0.200 4.449 4.640 0.015 0.000 0.197 126 D C 2.089 178.395 176.300 0.009 0.000 0.984 126 D CA 1.133 55.139 54.000 0.010 0.000 0.826 126 D CB -0.050 40.781 40.800 0.051 0.000 0.973 126 D HN 0.238 nan 8.370 nan 0.000 0.460 127 K N 0.347 120.808 120.400 0.101 0.000 2.032 127 K HA -0.142 4.187 4.320 0.015 0.000 0.209 127 K C 2.260 179.036 176.600 0.292 0.000 1.048 127 K CA 1.083 57.454 56.287 0.140 0.000 0.927 127 K CB -0.064 32.480 32.500 0.073 0.000 0.712 127 K HN 0.050 nan 8.250 nan 0.000 0.441 128 M N 0.659 120.450 119.600 0.319 0.000 2.065 128 M HA -0.226 4.263 4.480 0.015 0.000 0.259 128 M C 2.447 178.758 176.300 0.018 0.000 1.069 128 M CA 1.884 57.343 55.300 0.266 0.000 1.110 128 M CB -0.378 32.395 32.600 0.287 0.000 1.328 128 M HN 0.140 nan 8.290 nan 0.000 0.405 129 K N 0.458 120.563 120.400 -0.491 0.000 2.032 129 K HA -0.166 4.162 4.320 0.015 0.000 0.209 129 K C 1.990 178.444 176.600 -0.243 0.000 1.048 129 K CA 1.617 57.407 56.287 -0.827 0.000 0.927 129 K CB -0.162 31.502 32.500 -1.393 0.000 0.712 129 K HN 0.286 nan 8.250 nan 0.000 0.441 130 A N 0.846 123.606 122.820 -0.100 0.000 1.883 130 A HA -0.207 4.122 4.320 0.015 0.000 0.217 130 A C 2.039 179.692 177.584 0.115 0.000 1.186 130 A CA 1.664 53.717 52.037 0.026 0.000 0.624 130 A CB -0.932 18.113 19.000 0.075 0.000 0.822 130 A HN 0.548 nan 8.150 nan 0.000 0.444 131 F N 0.171 120.148 119.950 0.046 0.000 2.134 131 F HA -0.207 4.329 4.527 0.014 0.000 0.299 131 F C 2.559 178.323 175.800 -0.060 0.000 1.097 131 F CA 1.355 59.384 58.000 0.047 0.000 1.264 131 F CB -0.849 38.251 39.000 0.167 0.000 1.001 131 F HN 0.377 nan 8.300 nan 0.000 0.479 132 C N 0.995 120.214 119.300 -0.135 0.000 2.429 132 C HA -0.192 4.276 4.460 0.015 0.000 0.277 132 C C 2.715 177.592 174.990 -0.189 0.000 1.262 132 C CA 1.730 60.615 59.018 -0.222 0.000 1.733 132 C CB -1.328 26.397 27.740 -0.025 0.000 2.010 132 C HN 0.646 nan 8.230 nan 0.000 0.483 133 Q N -0.117 119.623 119.800 -0.100 0.000 2.084 133 Q HA -0.172 4.177 4.340 0.015 0.000 0.202 133 Q C 2.479 178.444 176.000 -0.059 0.000 0.978 133 Q CA 1.648 57.418 55.803 -0.054 0.000 0.844 133 Q CB -0.250 28.476 28.738 -0.020 0.000 0.898 133 Q HN 0.685 nan 8.270 nan 0.000 0.426 134 R N 0.023 120.487 120.500 -0.061 0.000 2.073 134 R HA -0.112 4.237 4.340 0.015 0.000 0.234 134 R C 2.359 178.636 176.300 -0.038 0.000 1.134 134 R CA 1.444 57.551 56.100 0.011 0.000 0.952 134 R CB -0.416 29.979 30.300 0.157 0.000 0.850 134 R HN 0.101 nan 8.270 nan 0.000 0.433 135 V N 0.952 120.700 119.914 -0.277 0.000 2.358 135 V HA -0.214 3.915 4.120 0.015 0.000 0.246 135 V C 2.400 178.400 176.094 -0.155 0.000 1.047 135 V CA 1.624 63.739 62.300 -0.310 0.000 1.035 135 V CB -0.507 30.913 31.823 -0.671 0.000 0.658 135 V HN 0.285 nan 8.190 nan 0.000 0.452 136 R N 0.745 121.157 120.500 -0.146 0.000 2.066 136 R HA -0.132 4.217 4.340 0.015 0.000 0.232 136 R C 2.618 178.898 176.300 -0.033 0.000 1.131 136 R CA 1.787 57.842 56.100 -0.075 0.000 0.955 136 R CB -0.585 29.680 30.300 -0.058 0.000 0.851 136 R HN 0.697 nan 8.270 nan 0.000 0.432 137 S N -1.047 114.639 115.700 -0.022 0.000 2.447 137 S HA -0.023 4.456 4.470 0.015 0.000 0.233 137 S C 1.531 176.139 174.600 0.013 0.000 1.006 137 S CA 1.056 59.257 58.200 0.001 0.000 0.957 137 S CB 0.190 63.396 63.200 0.010 0.000 0.773 137 S HN 0.559 nan 8.310 nan 0.000 0.507 138 G N 1.262 110.075 108.800 0.021 0.000 2.176 138 G HA2 -0.310 3.659 3.960 0.015 0.000 0.232 138 G HA3 -0.310 3.659 3.960 0.015 0.000 0.232 138 G C 0.568 175.504 174.900 0.060 0.000 0.986 138 G CA 0.581 45.705 45.100 0.040 0.000 0.643 138 G HN 0.546 nan 8.290 nan 0.000 0.522 139 D N -0.387 120.052 120.400 0.065 0.000 2.123 139 D HA -0.101 4.548 4.640 0.015 0.000 0.196 139 D C 0.954 177.316 176.300 0.103 0.000 0.992 139 D CA 0.737 54.779 54.000 0.070 0.000 0.833 139 D CB -0.153 40.691 40.800 0.073 0.000 0.954 139 D HN 0.429 nan 8.370 nan 0.000 0.455 140 W N 2.402 123.672 121.300 -0.051 0.000 2.419 140 W HA 0.216 4.885 4.660 0.015 0.000 0.312 140 W C -0.369 176.126 176.519 -0.041 0.000 1.323 140 W CA -0.323 56.995 57.345 -0.044 0.000 1.293 140 W CB 0.373 29.774 29.460 -0.099 0.000 1.324 140 W HN -0.186 nan 8.180 nan 0.000 0.512 141 K N 3.996 124.351 120.400 -0.075 0.000 2.221 141 K HA 0.561 4.889 4.320 0.015 0.000 0.243 141 K C 0.474 177.064 176.600 -0.016 0.000 0.968 141 K CA -0.652 55.638 56.287 0.004 0.000 0.846 141 K CB 1.336 33.817 32.500 -0.032 0.000 1.141 141 K HN 0.576 nan 8.250 nan 0.000 0.434 142 G N 0.029 108.882 108.800 0.089 0.000 2.535 142 G HA2 0.079 4.048 3.960 0.015 0.000 0.282 142 G HA3 0.079 4.048 3.960 0.015 0.000 0.282 142 G C 0.521 175.599 174.900 0.297 0.000 1.350 142 G CA -0.197 45.023 45.100 0.200 0.000 1.039 142 G HN 0.713 nan 8.290 nan 0.000 0.509 143 Y N -1.964 118.694 120.300 0.596 0.000 2.680 143 Y HA 0.099 4.658 4.550 0.014 0.000 0.303 143 Y C 1.870 177.872 175.900 0.170 0.000 1.166 143 Y CA 1.109 59.408 58.100 0.331 0.000 1.344 143 Y CB -0.293 38.393 38.460 0.376 0.000 1.002 143 Y HN 0.310 nan 8.280 nan 0.000 0.537 144 T N -4.255 110.105 114.554 -0.324 0.000 3.132 144 T HA 0.519 4.877 4.350 0.015 0.000 0.274 144 T C 1.441 176.071 174.700 -0.116 0.000 1.011 144 T CA 0.064 61.985 62.100 -0.299 0.000 0.899 144 T CB 0.119 68.709 68.868 -0.463 0.000 1.089 144 T HN 0.717 nan 8.240 nan 0.000 0.543 145 G N 1.692 110.462 108.800 -0.049 0.000 2.176 145 G HA2 -0.250 3.718 3.960 0.015 0.000 0.253 145 G HA3 -0.250 3.718 3.960 0.015 0.000 0.253 145 G C 0.048 174.943 174.900 -0.008 0.000 0.979 145 G CA 0.095 45.181 45.100 -0.024 0.000 0.641 145 G HN 0.661 nan 8.290 nan 0.000 0.530 146 K N 1.253 121.651 120.400 -0.003 0.000 2.168 146 K HA 0.504 4.832 4.320 0.015 0.000 0.258 146 K C 1.066 177.702 176.600 0.061 0.000 1.010 146 K CA 0.332 56.633 56.287 0.023 0.000 0.929 146 K CB 0.575 33.088 32.500 0.021 0.000 0.998 146 K HN 0.352 nan 8.250 nan 0.000 0.479 147 T N -1.361 113.228 114.554 0.060 0.000 2.913 147 T HA 0.283 4.641 4.350 0.015 0.000 0.287 147 T C 0.497 175.250 174.700 0.087 0.000 1.008 147 T CA -0.926 61.219 62.100 0.075 0.000 1.067 147 T CB 0.484 69.382 68.868 0.051 0.000 0.996 147 T HN 0.190 nan 8.240 nan 0.000 0.513 148 I N 3.697 124.320 120.570 0.089 0.000 2.517 148 I HA 0.124 4.303 4.170 0.015 0.000 0.285 148 I C 1.787 177.923 176.117 0.032 0.000 1.106 148 I CA 0.078 61.416 61.300 0.062 0.000 1.402 148 I CB 0.361 38.363 38.000 0.003 0.000 1.399 148 I HN 1.080 nan 8.210 nan 0.000 0.535 149 T N 1.052 115.635 114.554 0.048 0.000 2.990 149 T HA 0.204 4.563 4.350 0.015 0.000 0.249 149 T C 0.232 174.969 174.700 0.061 0.000 1.039 149 T CA -0.105 62.026 62.100 0.053 0.000 1.036 149 T CB 0.134 69.044 68.868 0.071 0.000 0.994 149 T HN 0.459 nan 8.240 nan 0.000 0.489 150 D N 0.606 121.025 120.400 0.032 0.000 2.757 150 D HA 0.593 5.241 4.640 0.015 0.000 0.249 150 D C -1.465 174.772 176.300 -0.105 0.000 1.168 150 D CA -0.505 53.517 54.000 0.037 0.000 0.870 150 D CB 2.624 43.436 40.800 0.020 0.000 1.411 150 D HN 0.034 nan 8.370 nan 0.000 0.525 151 V N 2.795 122.656 119.914 -0.088 0.000 2.398 151 V HA 0.484 4.613 4.120 0.015 0.000 0.286 151 V C -0.481 175.452 176.094 -0.267 0.000 1.026 151 V CA -0.660 61.508 62.300 -0.219 0.000 0.868 151 V CB 1.142 32.847 31.823 -0.197 0.000 0.982 151 V HN 0.437 nan 8.190 nan 0.000 0.443 152 I N 4.696 125.004 120.570 -0.437 0.000 2.382 152 I HA 0.353 4.531 4.170 0.015 0.000 0.285 152 I C 0.190 176.119 176.117 -0.314 0.000 1.007 152 I CA -0.071 60.983 61.300 -0.410 0.000 1.142 152 I CB 1.367 39.010 38.000 -0.595 0.000 1.289 152 I HN 0.528 nan 8.210 nan 0.000 0.453 153 N N 7.600 126.065 118.700 -0.392 0.000 2.419 153 N HA 0.411 5.160 4.740 0.015 0.000 0.264 153 N C -1.063 174.374 175.510 -0.121 0.000 1.031 153 N CA -0.245 52.641 53.050 -0.273 0.000 0.951 153 N CB 1.000 39.251 38.487 -0.393 0.000 1.101 153 N HN 0.495 nan 8.380 nan 0.000 0.488 154 I N 2.909 123.449 120.570 -0.051 0.000 2.359 154 I HA 0.453 4.631 4.170 0.015 0.000 0.284 154 I C 0.620 176.716 176.117 -0.034 0.000 1.018 154 I CA -0.580 60.699 61.300 -0.034 0.000 1.173 154 I CB 1.502 39.486 38.000 -0.027 0.000 1.326 154 I HN 0.503 nan 8.210 nan 0.000 0.462 155 G N 4.269 113.064 108.800 -0.008 0.000 2.608 155 G HA2 0.564 4.533 3.960 0.015 0.000 0.291 155 G HA3 0.564 4.533 3.960 0.015 0.000 0.291 155 G C -0.727 174.180 174.900 0.012 0.000 1.425 155 G CA -0.292 44.804 45.100 -0.007 0.000 0.787 155 G HN 0.495 nan 8.290 nan 0.000 0.484 156 I N -1.148 119.423 120.570 0.001 0.000 3.738 156 I HA 0.466 4.645 4.170 0.015 0.000 0.250 156 I C 1.906 178.015 176.117 -0.012 0.000 1.117 156 I CA 1.122 62.425 61.300 0.006 0.000 1.624 156 I CB 0.179 38.176 38.000 -0.004 0.000 1.637 156 I HN 0.757 nan 8.210 nan 0.000 0.431 157 G N -0.080 108.706 108.800 -0.024 0.000 2.611 157 G HA2 -0.025 3.944 3.960 0.015 0.000 0.147 157 G HA3 -0.025 3.944 3.960 0.015 0.000 0.147 157 G C 1.169 176.027 174.900 -0.070 0.000 1.798 157 G CA 0.444 45.514 45.100 -0.050 0.000 0.973 157 G HN 0.521 nan 8.290 nan 0.000 0.416 158 G N -0.701 108.053 108.800 -0.077 0.000 2.653 158 G HA2 0.077 4.046 3.960 0.015 0.000 0.212 158 G HA3 0.077 4.046 3.960 0.015 0.000 0.212 158 G C 1.507 176.367 174.900 -0.067 0.000 1.138 158 G CA 1.123 46.165 45.100 -0.097 0.000 0.782 158 G HN 0.406 nan 8.290 nan 0.000 0.535 159 S N -0.734 114.945 115.700 -0.036 0.000 2.575 159 S HA 0.148 4.627 4.470 0.015 0.000 0.215 159 S C 1.167 175.769 174.600 0.005 0.000 0.966 159 S CA 0.635 58.824 58.200 -0.019 0.000 0.911 159 S CB 0.294 63.503 63.200 0.015 0.000 0.780 159 S HN 0.647 nan 8.310 nan 0.000 0.514 160 D N -0.258 120.137 120.400 -0.008 0.000 2.829 160 D HA 0.119 4.768 4.640 0.015 0.000 0.250 160 D C 1.497 177.745 176.300 -0.087 0.000 1.304 160 D CA -0.103 53.908 54.000 0.019 0.000 1.197 160 D CB -0.564 40.259 40.800 0.038 0.000 1.501 160 D HN -0.027 nan 8.370 nan 0.000 0.424 161 L N 1.520 122.692 121.223 -0.085 0.000 1.997 161 L HA 0.046 4.394 4.340 0.015 0.000 0.216 161 L C 2.469 179.291 176.870 -0.079 0.000 1.074 161 L CA 2.496 57.285 54.840 -0.085 0.000 0.763 161 L CB -1.337 40.681 42.059 -0.068 0.000 0.890 161 L HN 0.382 nan 8.230 nan 0.000 0.434 162 G N -0.762 108.030 108.800 -0.013 0.000 2.453 162 G HA2 -0.210 3.759 3.960 0.015 0.000 0.215 162 G HA3 -0.210 3.759 3.960 0.015 0.000 0.215 162 G C -0.567 174.116 174.900 -0.362 0.000 1.201 162 G CA 0.856 45.806 45.100 -0.249 0.000 0.784 162 G HN 0.331 nan 8.290 nan 0.000 0.545 163 P HA -0.072 nan 4.420 nan 0.000 0.216 163 P C 2.009 179.013 177.300 -0.494 0.000 1.150 163 P CA 0.616 63.607 63.100 -0.182 0.000 0.837 163 P CB -0.062 31.698 31.700 0.101 0.000 0.786 164 L N -1.338 119.361 121.223 -0.875 0.000 2.005 164 L HA -0.096 4.253 4.340 0.015 0.000 0.207 164 L C 2.212 178.709 176.870 -0.621 0.000 1.072 164 L CA 1.983 56.065 54.840 -1.264 0.000 0.744 164 L CB -1.392 40.086 42.059 -0.970 0.000 0.895 164 L HN -0.087 nan 8.230 nan 0.000 0.433 165 M N -0.936 118.392 119.600 -0.452 0.000 2.080 165 M HA -0.162 4.326 4.480 0.015 0.000 0.260 165 M C 2.139 178.277 176.300 -0.269 0.000 1.068 165 M CA 2.240 57.334 55.300 -0.342 0.000 1.109 165 M CB -0.511 31.873 32.600 -0.361 0.000 1.342 165 M HN 0.214 nan 8.290 nan 0.000 0.405 166 V N 0.832 120.563 119.914 -0.305 0.000 2.358 166 V HA -0.248 3.881 4.120 0.015 0.000 0.246 166 V C 2.594 178.630 176.094 -0.098 0.000 1.047 166 V CA 2.247 64.424 62.300 -0.206 0.000 1.035 166 V CB -1.621 30.058 31.823 -0.240 0.000 0.658 166 V HN 0.673 nan 8.190 nan 0.000 0.452 167 T N -1.950 112.549 114.554 -0.091 0.000 2.788 167 T HA -0.202 4.157 4.350 0.015 0.000 0.268 167 T C 1.729 176.463 174.700 0.056 0.000 1.044 167 T CA 1.363 63.492 62.100 0.048 0.000 1.139 167 T CB -0.307 68.555 68.868 -0.010 0.000 0.867 167 T HN 0.406 nan 8.240 nan 0.000 0.454 168 E N 1.791 121.974 120.200 -0.028 0.000 2.072 168 E HA 0.039 4.398 4.350 0.015 0.000 0.191 168 E C 2.651 179.317 176.600 0.111 0.000 0.985 168 E CA 1.302 57.752 56.400 0.083 0.000 0.801 168 E CB -0.704 29.018 29.700 0.037 0.000 0.750 168 E HN 0.678 nan 8.360 nan 0.000 0.452 169 A N 0.731 123.572 122.820 0.034 0.000 1.969 169 A HA -0.075 4.254 4.320 0.015 0.000 0.218 169 A C 1.951 179.483 177.584 -0.087 0.000 1.169 169 A CA 0.871 52.931 52.037 0.038 0.000 0.635 169 A CB -0.264 18.745 19.000 0.014 0.000 0.810 169 A HN 0.178 nan 8.150 nan 0.000 0.445 170 L N -0.844 120.338 121.223 -0.067 0.000 3.017 170 L HA 0.140 4.489 4.340 0.015 0.000 0.255 170 L C 1.298 178.161 176.870 -0.012 0.000 1.247 170 L CA -0.411 54.420 54.840 -0.015 0.000 1.038 170 L CB 0.145 42.194 42.059 -0.017 0.000 1.380 170 L HN 0.075 nan 8.230 nan 0.000 0.548 171 K N 0.989 121.281 120.400 -0.180 0.000 2.089 171 K HA -0.151 4.178 4.320 0.015 0.000 0.210 171 K C -0.457 176.048 176.600 -0.158 0.000 1.048 171 K CA 1.554 57.783 56.287 -0.097 0.000 0.926 171 K CB -1.273 31.209 32.500 -0.029 0.000 0.714 171 K HN 0.258 nan 8.250 nan 0.000 0.448 172 P HA -0.122 nan 4.420 nan 0.000 0.226 172 P C 0.380 177.400 177.300 -0.467 0.000 1.146 172 P CA 1.150 64.046 63.100 -0.340 0.000 0.773 172 P CB -0.106 31.300 31.700 -0.490 0.000 0.772 173 Y N -1.762 118.435 120.300 -0.173 0.000 2.555 173 Y HA 0.171 4.730 4.550 0.014 0.000 0.259 173 Y C 1.440 177.225 175.900 -0.192 0.000 1.179 173 Y CA -0.093 57.921 58.100 -0.143 0.000 1.230 173 Y CB -0.423 37.971 38.460 -0.110 0.000 1.146 173 Y HN -0.028 nan 8.280 nan 0.000 0.526 174 S N -2.401 113.185 115.700 -0.190 0.000 2.552 174 S HA 0.073 4.552 4.470 0.015 0.000 0.246 174 S C 1.772 176.235 174.600 -0.228 0.000 1.019 174 S CA 0.178 58.141 58.200 -0.395 0.000 1.045 174 S CB 0.140 62.708 63.200 -1.053 0.000 0.784 174 S HN 0.244 nan 8.310 nan 0.000 0.453 175 S N 1.991 117.615 115.700 -0.127 0.000 2.389 175 S HA -0.095 4.384 4.470 0.015 0.000 0.229 175 S C 1.672 176.239 174.600 -0.056 0.000 1.048 175 S CA 1.873 60.026 58.200 -0.079 0.000 1.117 175 S CB -0.962 62.202 63.200 -0.059 0.000 1.020 175 S HN 0.826 nan 8.310 nan 0.000 0.430 176 G N 0.220 108.993 108.800 -0.045 0.000 3.609 176 G HA2 0.536 4.505 3.960 0.015 0.000 0.280 176 G HA3 0.536 4.505 3.960 0.015 0.000 0.280 176 G C 0.137 175.021 174.900 -0.026 0.000 1.155 176 G CA 0.191 45.275 45.100 -0.026 0.000 0.876 176 G HN 0.661 nan 8.290 nan 0.000 0.535 177 G N 0.348 109.125 108.800 -0.039 0.000 2.471 177 G HA2 0.704 4.672 3.960 0.015 0.000 0.332 177 G HA3 0.704 4.672 3.960 0.015 0.000 0.332 177 G C -2.199 172.716 174.900 0.027 0.000 1.176 177 G CA -1.235 43.858 45.100 -0.013 0.000 0.949 177 G HN 0.076 nan 8.290 nan 0.000 0.488 178 P HA 0.242 nan 4.420 nan 0.000 0.277 178 P C -0.466 176.883 177.300 0.083 0.000 1.276 178 P CA -0.515 62.609 63.100 0.041 0.000 0.788 178 P CB 1.111 32.812 31.700 0.001 0.000 1.114 179 R N -0.207 120.338 120.500 0.076 0.000 2.389 179 R HA 0.327 4.676 4.340 0.015 0.000 0.295 179 R C -0.097 176.190 176.300 -0.022 0.000 1.075 179 R CA -0.578 55.539 56.100 0.028 0.000 1.005 179 R CB 0.448 30.791 30.300 0.072 0.000 0.987 179 R HN 0.330 nan 8.270 nan 0.000 0.452 180 V N 0.230 120.013 119.914 -0.218 0.000 2.435 180 V HA 0.596 4.725 4.120 0.015 0.000 0.290 180 V C -0.956 174.893 176.094 -0.409 0.000 1.030 180 V CA -1.074 61.045 62.300 -0.300 0.000 0.881 180 V CB 0.987 32.550 31.823 -0.434 0.000 0.983 180 V HN 0.633 nan 8.190 nan 0.000 0.445 181 W N 3.094 124.106 121.300 -0.480 0.000 2.781 181 W HA 0.828 5.496 4.660 0.014 0.000 0.345 181 W C -1.050 175.102 176.519 -0.612 0.000 1.085 181 W CA -0.953 56.187 57.345 -0.341 0.000 1.198 181 W CB 1.836 31.142 29.460 -0.257 0.000 1.423 181 W HN 0.490 nan 8.180 nan 0.000 0.532 182 F N 1.863 121.869 119.950 0.093 0.000 2.499 182 F HA 0.574 5.110 4.527 0.014 0.000 0.333 182 F C -0.317 175.423 175.800 -0.100 0.000 1.138 182 F CA -1.160 56.838 58.000 -0.002 0.000 0.945 182 F CB 1.234 40.228 39.000 -0.010 0.000 1.181 182 F HN -0.181 nan 8.300 nan 0.000 0.435 183 V N 2.753 122.616 119.914 -0.086 0.000 2.459 183 V HA 0.528 4.656 4.120 0.015 0.000 0.295 183 V C 0.047 176.059 176.094 -0.136 0.000 1.029 183 V CA -0.049 62.002 62.300 -0.416 0.000 0.874 183 V CB 1.598 33.245 31.823 -0.294 0.000 0.985 183 V HN 0.940 nan 8.190 nan 0.000 0.438 184 S N 2.573 118.266 115.700 -0.012 0.000 3.330 184 S HA 0.143 4.622 4.470 0.015 0.000 0.259 184 S C 0.585 175.291 174.600 0.177 0.000 1.095 184 S CA -0.205 58.078 58.200 0.139 0.000 0.841 184 S CB -0.168 63.139 63.200 0.178 0.000 0.890 184 S HN 0.547 nan 8.310 nan 0.000 0.446 185 N N 1.635 120.544 118.700 0.349 0.000 2.441 185 N HA 0.192 4.941 4.740 0.015 0.000 0.251 185 N C 0.703 176.293 175.510 0.134 0.000 1.242 185 N CA -0.092 53.064 53.050 0.175 0.000 0.898 185 N CB 0.878 39.418 38.487 0.088 0.000 1.100 185 N HN 0.344 nan 8.380 nan 0.000 0.443 186 I N 1.563 122.172 120.570 0.064 0.000 2.676 186 I HA -0.061 4.118 4.170 0.015 0.000 0.259 186 I C 0.248 176.394 176.117 0.048 0.000 1.194 186 I CA 0.485 61.810 61.300 0.042 0.000 1.473 186 I CB -0.581 37.431 38.000 0.020 0.000 1.096 186 I HN 0.550 nan 8.210 nan 0.000 0.443 187 D N 0.705 121.135 120.400 0.050 0.000 2.581 187 D HA -0.052 4.597 4.640 0.015 0.000 0.238 187 D C 1.591 177.931 176.300 0.066 0.000 1.145 187 D CA 0.929 54.954 54.000 0.042 0.000 0.866 187 D CB 0.893 41.706 40.800 0.021 0.000 1.151 187 D HN 0.348 nan 8.370 nan 0.000 0.500 188 G N 2.942 111.770 108.800 0.046 0.000 2.475 188 G HA2 -0.330 3.639 3.960 0.015 0.000 0.220 188 G HA3 -0.330 3.639 3.960 0.015 0.000 0.220 188 G C 1.489 176.422 174.900 0.056 0.000 1.125 188 G CA 1.459 46.586 45.100 0.044 0.000 0.755 188 G HN 0.653 nan 8.290 nan 0.000 0.565 189 T N -2.097 112.493 114.554 0.060 0.000 2.833 189 T HA -0.187 4.172 4.350 0.015 0.000 0.269 189 T C 1.904 176.678 174.700 0.124 0.000 1.054 189 T CA 1.812 63.952 62.100 0.066 0.000 1.135 189 T CB -0.584 68.312 68.868 0.047 0.000 0.869 189 T HN 0.593 nan 8.240 nan 0.000 0.466 190 H N -0.152 118.927 119.070 0.015 0.000 2.267 190 H HA 0.016 4.581 4.556 0.015 0.000 0.297 190 H C 2.353 177.684 175.328 0.006 0.000 1.080 190 H CA 1.594 57.657 56.048 0.025 0.000 1.278 190 H CB -0.169 29.611 29.762 0.029 0.000 1.365 190 H HN 0.403 nan 8.280 nan 0.000 0.489 191 I N 0.346 120.940 120.570 0.039 0.000 2.394 191 I HA -0.184 3.994 4.170 0.015 0.000 0.251 191 I C 2.484 178.530 176.117 -0.117 0.000 1.136 191 I CA 1.019 62.263 61.300 -0.094 0.000 1.425 191 I CB -0.217 37.727 38.000 -0.093 0.000 1.079 191 I HN 0.357 nan 8.210 nan 0.000 0.425 192 A N 2.068 124.857 122.820 -0.051 0.000 1.858 192 A HA -0.268 4.060 4.320 0.015 0.000 0.216 192 A C 2.293 179.841 177.584 -0.060 0.000 1.190 192 A CA 2.158 54.159 52.037 -0.060 0.000 0.617 192 A CB -0.734 18.263 19.000 -0.004 0.000 0.827 192 A HN 0.592 nan 8.150 nan 0.000 0.443 193 K N -1.024 119.378 120.400 0.002 0.000 2.152 193 K HA -0.120 4.209 4.320 0.015 0.000 0.206 193 K C 1.707 178.295 176.600 -0.019 0.000 1.048 193 K CA 1.842 58.148 56.287 0.031 0.000 0.933 193 K CB -0.768 31.793 32.500 0.102 0.000 0.721 193 K HN 0.351 nan 8.250 nan 0.000 0.447 194 T N 2.409 116.905 114.554 -0.097 0.000 2.735 194 T HA 0.035 4.394 4.350 0.015 0.000 0.256 194 T C 1.913 176.300 174.700 -0.521 0.000 1.042 194 T CA 1.022 62.936 62.100 -0.310 0.000 1.147 194 T CB -0.242 68.459 68.868 -0.279 0.000 0.865 194 T HN 0.112 nan 8.240 nan 0.000 0.421 195 L N 1.156 122.079 121.223 -0.499 0.000 2.261 195 L HA -0.097 4.252 4.340 0.015 0.000 0.216 195 L C 2.875 179.550 176.870 -0.324 0.000 1.114 195 L CA 0.884 55.294 54.840 -0.717 0.000 0.777 195 L CB -0.694 40.689 42.059 -1.126 0.000 0.910 195 L HN 0.256 nan 8.230 nan 0.000 0.440 196 A N -1.189 121.522 122.820 -0.182 0.000 2.067 196 A HA -0.137 4.192 4.320 0.015 0.000 0.219 196 A C 1.956 179.530 177.584 -0.016 0.000 1.158 196 A CA 1.259 53.281 52.037 -0.025 0.000 0.661 196 A CB -0.641 18.358 19.000 -0.001 0.000 0.801 196 A HN 0.589 nan 8.150 nan 0.000 0.452 197 C N -0.445 118.775 119.300 -0.133 0.000 2.884 197 C HA 0.559 5.028 4.460 0.015 0.000 0.287 197 C C 0.440 175.347 174.990 -0.137 0.000 1.310 197 C CA -0.734 58.231 59.018 -0.089 0.000 1.725 197 C CB -1.898 25.812 27.740 -0.049 0.000 2.060 197 C HN 0.423 nan 8.230 nan 0.000 0.618 198 L N 1.338 122.492 121.223 -0.115 0.000 2.333 198 L HA 0.511 4.860 4.340 0.015 0.000 0.269 198 L C -0.361 176.673 176.870 0.273 0.000 1.010 198 L CA -0.282 54.550 54.840 -0.013 0.000 0.818 198 L CB 1.083 43.034 42.059 -0.179 0.000 1.306 198 L HN 0.098 nan 8.230 nan 0.000 0.430 199 N N 2.669 121.511 118.700 0.237 0.000 2.446 199 N HA 0.264 5.012 4.740 0.015 0.000 0.265 199 N C -1.982 173.709 175.510 0.301 0.000 0.975 199 N CA -1.918 51.266 53.050 0.224 0.000 0.928 199 N CB 2.353 40.917 38.487 0.129 0.000 1.160 199 N HN 0.301 nan 8.380 nan 0.000 0.495 200 P HA -0.162 nan 4.420 nan 0.000 0.218 200 P C 0.511 178.045 177.300 0.391 0.000 1.146 200 P CA 1.351 64.640 63.100 0.315 0.000 0.813 200 P CB 0.562 32.123 31.700 -0.231 0.000 0.778 201 E N 0.248 120.603 120.200 0.257 0.000 2.150 201 E HA -0.082 4.276 4.350 0.015 0.000 0.193 201 E C 1.539 178.352 176.600 0.355 0.000 0.985 201 E CA 1.575 58.086 56.400 0.185 0.000 0.814 201 E CB -0.190 29.464 29.700 -0.077 0.000 0.752 201 E HN 0.395 nan 8.360 nan 0.000 0.466 202 S N -0.498 115.369 115.700 0.277 0.000 2.602 202 S HA 0.249 4.728 4.470 0.015 0.000 0.240 202 S C 0.174 174.896 174.600 0.204 0.000 0.992 202 S CA -0.659 57.681 58.200 0.233 0.000 0.971 202 S CB 0.832 64.112 63.200 0.132 0.000 0.855 202 S HN -0.150 nan 8.310 nan 0.000 0.481 203 S N 2.107 117.976 115.700 0.282 0.000 2.451 203 S HA 0.688 5.167 4.470 0.015 0.000 0.301 203 S C -0.936 173.699 174.600 0.058 0.000 1.116 203 S CA -0.647 57.584 58.200 0.053 0.000 1.093 203 S CB 1.520 64.704 63.200 -0.027 0.000 1.017 203 S HN 0.492 nan 8.310 nan 0.000 0.482 204 L N 3.791 124.876 121.223 -0.229 0.000 2.325 204 L HA 0.678 5.027 4.340 0.015 0.000 0.281 204 L C -1.746 174.827 176.870 -0.495 0.000 1.004 204 L CA -0.357 54.355 54.840 -0.213 0.000 0.823 204 L CB 0.353 42.317 42.059 -0.158 0.000 1.236 204 L HN 0.503 nan 8.230 nan 0.000 0.415 205 F N 5.552 125.254 119.950 -0.413 0.000 2.421 205 F HA 0.559 5.094 4.527 0.014 0.000 0.337 205 F C 0.151 175.778 175.800 -0.289 0.000 1.105 205 F CA -0.438 57.280 58.000 -0.469 0.000 1.049 205 F CB 1.390 39.864 39.000 -0.877 0.000 1.139 205 F HN 0.247 nan 8.300 nan 0.000 0.479 206 I N 5.141 125.684 120.570 -0.045 0.000 2.354 206 I HA 0.266 4.444 4.170 0.015 0.000 0.286 206 I C -0.792 175.337 176.117 0.021 0.000 1.007 206 I CA -0.643 60.639 61.300 -0.031 0.000 1.167 206 I CB 1.129 39.059 38.000 -0.117 0.000 1.320 206 I HN 0.312 nan 8.210 nan 0.000 0.458 207 I N 6.003 126.630 120.570 0.095 0.000 2.281 207 I HA 0.292 4.470 4.170 0.015 0.000 0.293 207 I C 0.747 176.949 176.117 0.143 0.000 1.085 207 I CA -0.229 61.116 61.300 0.074 0.000 1.257 207 I CB 0.494 38.541 38.000 0.079 0.000 1.430 207 I HN 0.508 nan 8.210 nan 0.000 0.489 208 A N 4.925 127.779 122.820 0.056 0.000 2.260 208 A HA 0.628 4.957 4.320 0.015 0.000 0.312 208 A C 0.231 177.871 177.584 0.093 0.000 1.321 208 A CA -0.302 51.790 52.037 0.091 0.000 0.928 208 A CB 0.634 19.651 19.000 0.028 0.000 1.158 208 A HN 0.636 nan 8.150 nan 0.000 0.542 209 S N 2.007 117.842 115.700 0.224 0.000 2.584 209 S HA 0.220 4.698 4.470 0.015 0.000 0.282 209 S C 0.562 175.347 174.600 0.308 0.000 1.138 209 S CA -0.444 57.868 58.200 0.186 0.000 0.987 209 S CB 0.917 64.104 63.200 -0.021 0.000 1.137 209 S HN 0.824 nan 8.310 nan 0.000 0.457 210 K N 2.281 122.870 120.400 0.315 0.000 2.032 210 K HA -0.130 4.199 4.320 0.015 0.000 0.209 210 K C 1.769 178.357 176.600 -0.020 0.000 1.048 210 K CA 2.549 58.949 56.287 0.189 0.000 0.927 210 K CB -0.384 32.266 32.500 0.250 0.000 0.712 210 K HN 0.765 nan 8.250 nan 0.000 0.441 211 T N -2.977 111.610 114.554 0.054 0.000 3.009 211 T HA -0.031 4.328 4.350 0.015 0.000 0.258 211 T C 0.892 175.680 174.700 0.147 0.000 1.063 211 T CA 0.483 62.609 62.100 0.044 0.000 1.139 211 T CB -0.226 68.659 68.868 0.029 0.000 0.890 211 T HN 0.320 nan 8.240 nan 0.000 0.471 212 F N 2.190 122.109 119.950 -0.051 0.000 3.018 212 F HA -0.270 4.266 4.527 0.015 0.000 0.287 212 F C 0.987 176.762 175.800 -0.042 0.000 0.813 212 F CA 1.044 59.008 58.000 -0.061 0.000 1.209 212 F CB -1.789 37.168 39.000 -0.072 0.000 1.321 212 F HN 0.528 nan 8.300 nan 0.000 0.477 213 T N -4.993 109.555 114.554 -0.011 0.000 3.058 213 T HA 0.213 4.572 4.350 0.015 0.000 0.278 213 T C 0.599 175.271 174.700 -0.046 0.000 0.974 213 T CA 0.538 62.630 62.100 -0.014 0.000 0.893 213 T CB 0.135 69.022 68.868 0.031 0.000 1.138 213 T HN 0.126 nan 8.240 nan 0.000 0.529 214 T N 3.221 117.730 114.554 -0.074 0.000 2.829 214 T HA 0.084 4.442 4.350 0.015 0.000 0.293 214 T C 1.284 175.937 174.700 -0.078 0.000 0.970 214 T CA 0.026 62.089 62.100 -0.062 0.000 1.168 214 T CB 1.346 70.177 68.868 -0.063 0.000 0.911 214 T HN 0.388 nan 8.240 nan 0.000 0.535 215 Q N 2.664 122.438 119.800 -0.043 0.000 2.077 215 Q HA -0.230 4.118 4.340 0.015 0.000 0.206 215 Q C 1.768 177.742 176.000 -0.044 0.000 0.989 215 Q CA 1.998 57.780 55.803 -0.036 0.000 0.853 215 Q CB 0.050 28.781 28.738 -0.012 0.000 0.907 215 Q HN 0.735 nan 8.270 nan 0.000 0.418 216 E N -0.533 119.644 120.200 -0.037 0.000 2.058 216 E HA -0.173 4.185 4.350 0.015 0.000 0.194 216 E C 2.030 178.595 176.600 -0.058 0.000 0.997 216 E CA 2.057 58.439 56.400 -0.031 0.000 0.801 216 E CB -0.249 29.443 29.700 -0.014 0.000 0.746 216 E HN 0.353 nan 8.360 nan 0.000 0.450 217 T N 1.045 115.541 114.554 -0.097 0.000 2.737 217 T HA -0.097 4.262 4.350 0.015 0.000 0.265 217 T C 1.759 176.322 174.700 -0.227 0.000 1.038 217 T CA 0.917 62.923 62.100 -0.157 0.000 1.144 217 T CB -0.108 68.641 68.868 -0.198 0.000 0.866 217 T HN 0.028 nan 8.240 nan 0.000 0.434 218 I N 1.853 122.275 120.570 -0.247 0.000 2.226 218 I HA -0.114 4.065 4.170 0.015 0.000 0.245 218 I C 2.633 178.700 176.117 -0.083 0.000 1.100 218 I CA 1.438 62.589 61.300 -0.248 0.000 1.374 218 I CB -1.923 35.969 38.000 -0.180 0.000 1.057 218 I HN 0.258 nan 8.210 nan 0.000 0.413 219 T N 1.432 115.957 114.554 -0.049 0.000 2.708 219 T HA -0.143 4.216 4.350 0.015 0.000 0.266 219 T C 1.803 176.502 174.700 -0.001 0.000 1.037 219 T CA 1.395 63.492 62.100 -0.005 0.000 1.146 219 T CB -0.253 68.612 68.868 -0.005 0.000 0.865 219 T HN 0.264 nan 8.240 nan 0.000 0.435 220 N N 1.219 119.902 118.700 -0.029 0.000 2.120 220 N HA -0.024 4.725 4.740 0.015 0.000 0.188 220 N C 2.152 177.650 175.510 -0.020 0.000 1.024 220 N CA 1.353 54.385 53.050 -0.031 0.000 0.852 220 N CB -0.516 37.943 38.487 -0.047 0.000 1.003 220 N HN 0.426 nan 8.380 nan 0.000 0.424 221 A N 1.609 124.405 122.820 -0.039 0.000 1.858 221 A HA -0.156 4.173 4.320 0.015 0.000 0.216 221 A C 2.160 179.884 177.584 0.234 0.000 1.190 221 A CA 1.505 53.560 52.037 0.030 0.000 0.617 221 A CB -0.450 18.380 19.000 -0.284 0.000 0.827 221 A HN 0.270 nan 8.150 nan 0.000 0.443 222 K N -0.941 119.606 120.400 0.246 0.000 2.063 222 K HA -0.118 4.211 4.320 0.015 0.000 0.208 222 K C 2.098 178.758 176.600 0.101 0.000 1.048 222 K CA 1.798 58.209 56.287 0.207 0.000 0.928 222 K CB -0.445 32.142 32.500 0.144 0.000 0.713 222 K HN 0.479 nan 8.250 nan 0.000 0.442 223 T N 0.876 115.474 114.554 0.073 0.000 2.746 223 T HA -0.125 4.234 4.350 0.015 0.000 0.267 223 T C 1.964 176.713 174.700 0.081 0.000 1.039 223 T CA 1.340 63.476 62.100 0.059 0.000 1.142 223 T CB -0.207 68.676 68.868 0.024 0.000 0.866 223 T HN 0.344 nan 8.240 nan 0.000 0.444 224 A N 1.299 124.132 122.820 0.022 0.000 1.930 224 A HA -0.069 4.259 4.320 0.015 0.000 0.217 224 A C 2.218 179.920 177.584 0.197 0.000 1.175 224 A CA 1.733 53.719 52.037 -0.084 0.000 0.627 224 A CB -0.440 18.264 19.000 -0.493 0.000 0.815 224 A HN 0.447 nan 8.150 nan 0.000 0.443 225 K N -0.498 120.010 120.400 0.180 0.000 2.057 225 K HA -0.165 4.164 4.320 0.015 0.000 0.206 225 K C 1.384 178.059 176.600 0.125 0.000 1.050 225 K CA 1.523 57.825 56.287 0.025 0.000 0.935 225 K CB -0.160 32.148 32.500 -0.320 0.000 0.715 225 K HN 0.351 nan 8.250 nan 0.000 0.439 226 D N -0.028 120.432 120.400 0.099 0.000 2.092 226 D HA -0.212 4.437 4.640 0.015 0.000 0.193 226 D C 1.393 177.777 176.300 0.139 0.000 0.994 226 D CA 1.152 55.199 54.000 0.078 0.000 0.828 226 D CB -0.500 40.341 40.800 0.069 0.000 0.963 226 D HN 0.406 nan 8.370 nan 0.000 0.450 227 W N 0.761 122.075 121.300 0.024 0.000 2.321 227 W HA -0.281 4.388 4.660 0.015 0.000 0.306 227 W C 2.098 178.658 176.519 0.068 0.000 1.217 227 W CA 1.432 58.800 57.345 0.039 0.000 1.257 227 W CB -0.641 28.850 29.460 0.052 0.000 1.145 227 W HN -0.014 nan 8.180 nan 0.000 0.509 228 F N 0.896 120.911 119.950 0.109 0.000 2.060 228 F HA -0.166 4.369 4.527 0.014 0.000 0.295 228 F C 2.102 177.742 175.800 -0.266 0.000 1.120 228 F CA 2.318 60.241 58.000 -0.128 0.000 1.205 228 F CB -0.938 38.217 39.000 0.258 0.000 0.986 228 F HN -0.185 nan 8.300 nan 0.000 0.470 229 L N 0.057 121.140 121.223 -0.233 0.000 2.353 229 L HA -0.193 4.156 4.340 0.015 0.000 0.220 229 L C 2.251 178.898 176.870 -0.372 0.000 1.133 229 L CA 0.310 54.931 54.840 -0.367 0.000 0.798 229 L CB -0.696 41.285 42.059 -0.130 0.000 0.922 229 L HN 0.282 nan 8.230 nan 0.000 0.445 230 L N -1.115 119.912 121.223 -0.326 0.000 2.191 230 L HA -0.166 4.182 4.340 0.015 0.000 0.212 230 L C 2.301 178.972 176.870 -0.331 0.000 1.103 230 L CA 1.636 56.313 54.840 -0.271 0.000 0.769 230 L CB -0.198 41.722 42.059 -0.232 0.000 0.908 230 L HN 0.108 nan 8.230 nan 0.000 0.438 231 S N -1.791 113.616 115.700 -0.490 0.000 2.566 231 S HA 0.221 4.699 4.470 0.015 0.000 0.234 231 S C 1.916 176.224 174.600 -0.487 0.000 1.075 231 S CA 0.424 58.367 58.200 -0.428 0.000 0.926 231 S CB 0.098 63.031 63.200 -0.446 0.000 0.811 231 S HN 0.477 nan 8.310 nan 0.000 0.518 232 A N 1.746 124.005 122.820 -0.936 0.000 2.014 232 A HA -0.008 4.321 4.320 0.015 0.000 0.218 232 A C 1.161 178.390 177.584 -0.591 0.000 1.163 232 A CA 1.216 52.503 52.037 -1.250 0.000 0.652 232 A CB -0.275 17.585 19.000 -1.899 0.000 0.808 232 A HN 0.295 nan 8.150 nan 0.000 0.449 233 K N -1.198 118.943 120.400 -0.432 0.000 3.510 233 K HA -0.241 4.088 4.320 0.015 0.000 0.312 233 K C -0.358 176.139 176.600 -0.172 0.000 1.271 233 K CA 1.726 57.870 56.287 -0.239 0.000 1.002 233 K CB -1.787 30.613 32.500 -0.168 0.000 1.262 233 K HN 0.753 nan 8.250 nan 0.000 0.424 234 D N -0.215 120.075 120.400 -0.182 0.000 2.505 234 D HA 0.291 4.940 4.640 0.015 0.000 0.250 234 D C -1.861 174.406 176.300 -0.055 0.000 1.164 234 D CA -2.291 51.653 54.000 -0.092 0.000 0.870 234 D CB 1.645 42.411 40.800 -0.056 0.000 1.160 234 D HN -0.250 nan 8.370 nan 0.000 0.549 235 P HA -0.129 nan 4.420 nan 0.000 0.223 235 P C 1.216 178.521 177.300 0.008 0.000 1.144 235 P CA 0.652 63.734 63.100 -0.031 0.000 0.783 235 P CB 0.231 31.895 31.700 -0.060 0.000 0.771 236 S N -0.368 115.344 115.700 0.020 0.000 2.453 236 S HA -0.092 4.387 4.470 0.015 0.000 0.231 236 S C 1.780 176.445 174.600 0.107 0.000 1.005 236 S CA 1.691 59.918 58.200 0.045 0.000 0.949 236 S CB -1.363 61.857 63.200 0.033 0.000 0.774 236 S HN 0.319 nan 8.310 nan 0.000 0.510 237 T N -0.829 113.813 114.554 0.147 0.000 3.035 237 T HA 0.088 4.447 4.350 0.015 0.000 0.268 237 T C 1.656 176.608 174.700 0.419 0.000 1.109 237 T CA 0.874 63.150 62.100 0.293 0.000 1.119 237 T CB -0.588 68.414 68.868 0.223 0.000 0.900 237 T HN 0.189 nan 8.240 nan 0.000 0.503 238 V N 2.114 122.196 119.914 0.281 0.000 2.392 238 V HA -0.144 3.985 4.120 0.015 0.000 0.249 238 V C 3.169 179.429 176.094 0.277 0.000 1.059 238 V CA 1.659 64.067 62.300 0.179 0.000 1.051 238 V CB -1.383 30.413 31.823 -0.045 0.000 0.658 238 V HN 0.694 nan 8.190 nan 0.000 0.455 239 A N -0.749 122.210 122.820 0.231 0.000 2.178 239 A HA -0.199 4.129 4.320 0.015 0.000 0.218 239 A C 2.176 179.973 177.584 0.355 0.000 1.157 239 A CA 1.599 53.786 52.037 0.249 0.000 0.689 239 A CB -0.339 18.753 19.000 0.155 0.000 0.787 239 A HN 0.605 nan 8.150 nan 0.000 0.465 240 K N -1.703 118.911 120.400 0.357 0.000 2.361 240 K HA 0.122 4.450 4.320 0.015 0.000 0.194 240 K C 0.546 177.315 176.600 0.282 0.000 1.032 240 K CA 0.410 56.895 56.287 0.330 0.000 1.048 240 K CB 0.197 32.770 32.500 0.122 0.000 0.842 240 K HN 0.601 nan 8.250 nan 0.000 0.526 241 H N -1.303 118.019 119.070 0.420 0.000 3.233 241 H HA 0.197 4.762 4.556 0.015 0.000 0.263 241 H C -0.800 174.606 175.328 0.130 0.000 1.168 241 H CA 0.009 56.203 56.048 0.244 0.000 1.159 241 H CB 0.697 30.420 29.762 -0.065 0.000 1.593 241 H HN -0.061 nan 8.280 nan 0.000 0.580 242 F N 1.751 121.847 119.950 0.244 0.000 2.557 242 F HA 0.342 4.878 4.527 0.014 0.000 0.316 242 F C 0.074 175.992 175.800 0.197 0.000 1.141 242 F CA -1.163 56.977 58.000 0.232 0.000 0.922 242 F CB 1.848 40.984 39.000 0.226 0.000 1.194 242 F HN -0.224 nan 8.300 nan 0.000 0.443 243 V N 0.100 120.174 119.914 0.267 0.000 3.074 243 V HA 1.048 5.176 4.120 0.015 0.000 0.314 243 V C -0.908 175.298 176.094 0.186 0.000 1.117 243 V CA -1.167 61.239 62.300 0.176 0.000 1.014 243 V CB 1.584 33.420 31.823 0.023 0.000 1.057 243 V HN 0.986 nan 8.190 nan 0.000 0.438 244 A N 2.385 125.304 122.820 0.165 0.000 2.435 244 A HA 0.909 5.237 4.320 0.015 0.000 0.304 244 A C -1.057 176.618 177.584 0.151 0.000 1.064 244 A CA -0.787 51.339 52.037 0.149 0.000 0.727 244 A CB 1.646 20.628 19.000 -0.030 0.000 1.284 244 A HN 1.099 nan 8.150 nan 0.000 0.415 245 L N 1.794 123.126 121.223 0.182 0.000 2.316 245 L HA 0.768 5.117 4.340 0.015 0.000 0.280 245 L C 0.088 177.161 176.870 0.339 0.000 1.006 245 L CA -0.299 54.678 54.840 0.228 0.000 0.836 245 L CB 1.165 43.305 42.059 0.135 0.000 1.221 245 L HN 0.719 nan 8.230 nan 0.000 0.418 246 S N 0.495 116.296 115.700 0.168 0.000 2.683 246 S HA 0.460 4.939 4.470 0.015 0.000 0.269 246 S C 0.250 174.477 174.600 -0.621 0.000 1.165 246 S CA 0.306 58.433 58.200 -0.121 0.000 0.840 246 S CB 1.765 64.897 63.200 -0.114 0.000 1.169 246 S HN 0.699 nan 8.310 nan 0.000 0.490 247 T N -0.717 113.414 114.554 -0.705 0.000 3.040 247 T HA 0.359 4.718 4.350 0.015 0.000 0.266 247 T C 0.048 174.517 174.700 -0.384 0.000 1.005 247 T CA -0.157 61.532 62.100 -0.684 0.000 0.906 247 T CB -0.275 68.150 68.868 -0.739 0.000 1.082 247 T HN 0.350 nan 8.240 nan 0.000 0.531 248 N N 1.680 120.203 118.700 -0.296 0.000 2.699 248 N HA 0.244 4.993 4.740 0.015 0.000 0.232 248 N C 0.672 176.045 175.510 -0.228 0.000 1.027 248 N CA -0.023 52.912 53.050 -0.192 0.000 0.920 248 N CB 1.404 39.842 38.487 -0.080 0.000 1.148 248 N HN 0.139 nan 8.380 nan 0.000 0.509 249 T N 1.240 115.677 114.554 -0.196 0.000 2.746 249 T HA -0.119 4.239 4.350 0.015 0.000 0.267 249 T C 1.853 176.472 174.700 -0.136 0.000 1.039 249 T CA 1.628 63.619 62.100 -0.182 0.000 1.142 249 T CB 0.038 68.826 68.868 -0.133 0.000 0.866 249 T HN 0.596 nan 8.240 nan 0.000 0.444 250 A N 2.273 125.042 122.820 -0.086 0.000 1.865 250 A HA -0.157 4.171 4.320 0.015 0.000 0.217 250 A C 2.314 179.890 177.584 -0.013 0.000 1.191 250 A CA 1.370 53.383 52.037 -0.039 0.000 0.623 250 A CB -0.375 18.615 19.000 -0.017 0.000 0.826 250 A HN 0.273 nan 8.150 nan 0.000 0.444 251 K N -0.257 120.146 120.400 0.006 0.000 2.097 251 K HA -0.070 4.259 4.320 0.015 0.000 0.206 251 K C 2.018 178.689 176.600 0.119 0.000 1.049 251 K CA 1.301 57.662 56.287 0.123 0.000 0.933 251 K CB -0.841 31.798 32.500 0.230 0.000 0.717 251 K HN 0.365 nan 8.250 nan 0.000 0.442 252 V N 2.184 121.953 119.914 -0.242 0.000 2.295 252 V HA -0.212 3.917 4.120 0.015 0.000 0.246 252 V C 2.601 178.674 176.094 -0.036 0.000 1.049 252 V CA 1.572 63.600 62.300 -0.453 0.000 1.024 252 V CB -0.377 31.064 31.823 -0.637 0.000 0.648 252 V HN 0.256 nan 8.190 nan 0.000 0.447 253 K N 0.255 120.628 120.400 -0.046 0.000 2.057 253 K HA -0.200 4.128 4.320 0.015 0.000 0.207 253 K C 2.173 178.800 176.600 0.044 0.000 1.049 253 K CA 1.648 57.934 56.287 -0.002 0.000 0.931 253 K CB -0.397 32.088 32.500 -0.025 0.000 0.714 253 K HN 0.542 nan 8.250 nan 0.000 0.440 254 E N -0.660 119.582 120.200 0.070 0.000 2.204 254 E HA -0.184 4.175 4.350 0.015 0.000 0.195 254 E C 1.783 178.460 176.600 0.129 0.000 0.990 254 E CA 0.766 57.216 56.400 0.084 0.000 0.821 254 E CB -0.136 29.622 29.700 0.097 0.000 0.750 254 E HN 0.266 nan 8.360 nan 0.000 0.477 255 F N -0.043 119.959 119.950 0.086 0.000 2.407 255 F HA 0.081 4.616 4.527 0.014 0.000 0.299 255 F C 1.339 177.159 175.800 0.033 0.000 1.097 255 F CA 1.662 59.730 58.000 0.114 0.000 1.422 255 F CB 0.355 39.544 39.000 0.316 0.000 1.067 255 F HN 0.104 nan 8.300 nan 0.000 0.539 256 G N 1.085 109.865 108.800 -0.034 0.000 2.143 256 G HA2 -0.179 3.790 3.960 0.015 0.000 0.175 256 G HA3 -0.179 3.790 3.960 0.015 0.000 0.175 256 G C 0.038 174.927 174.900 -0.018 0.000 1.004 256 G CA -0.055 44.963 45.100 -0.137 0.000 0.671 256 G HN 0.310 nan 8.290 nan 0.000 0.512 257 I N 1.505 122.158 120.570 0.138 0.000 2.353 257 I HA 0.254 4.433 4.170 0.015 0.000 0.293 257 I C 0.274 176.429 176.117 0.064 0.000 0.992 257 I CA -0.794 60.601 61.300 0.158 0.000 1.268 257 I CB 1.252 39.405 38.000 0.255 0.000 1.387 257 I HN 0.101 nan 8.210 nan 0.000 0.478 258 D N 9.649 130.088 120.400 0.066 0.000 2.487 258 D HA -0.000 4.648 4.640 0.015 0.000 0.243 258 D C -1.362 174.930 176.300 -0.014 0.000 1.154 258 D CA -1.726 52.292 54.000 0.030 0.000 0.876 258 D CB 1.186 42.022 40.800 0.059 0.000 1.161 258 D HN 0.262 nan 8.370 nan 0.000 0.478 259 P HA -0.219 nan 4.420 nan 0.000 0.219 259 P C 0.974 178.198 177.300 -0.127 0.000 1.146 259 P CA 1.378 64.426 63.100 -0.087 0.000 0.808 259 P CB -0.010 31.647 31.700 -0.071 0.000 0.779 260 Q N -1.203 118.538 119.800 -0.099 0.000 2.435 260 Q HA 0.002 4.350 4.340 0.015 0.000 0.207 260 Q C 1.072 176.932 176.000 -0.233 0.000 0.956 260 Q CA 0.651 56.370 55.803 -0.140 0.000 0.917 260 Q CB -0.711 27.994 28.738 -0.056 0.000 0.997 260 Q HN 0.135 nan 8.270 nan 0.000 0.497 261 N N 0.433 119.037 118.700 -0.159 0.000 2.295 261 N HA 0.179 4.927 4.740 0.015 0.000 0.221 261 N C -0.775 174.616 175.510 -0.199 0.000 1.129 261 N CA 0.181 53.137 53.050 -0.157 0.000 0.836 261 N CB 0.636 39.159 38.487 0.060 0.000 1.040 261 N HN 0.383 nan 8.380 nan 0.000 0.494 262 M N 0.663 120.060 119.600 -0.338 0.000 2.181 262 M HA 0.358 4.847 4.480 0.015 0.000 0.323 262 M C -1.525 174.548 176.300 -0.379 0.000 1.004 262 M CA -0.619 54.540 55.300 -0.235 0.000 0.941 262 M CB 0.709 33.182 32.600 -0.212 0.000 1.579 262 M HN -0.207 nan 8.290 nan 0.000 0.427 263 F N 4.144 124.006 119.950 -0.145 0.000 2.308 263 F HA 0.324 4.860 4.527 0.015 0.000 0.370 263 F C 0.422 176.168 175.800 -0.090 0.000 1.100 263 F CA -0.756 57.181 58.000 -0.104 0.000 1.108 263 F CB 0.634 39.578 39.000 -0.094 0.000 1.293 263 F HN 0.514 nan 8.300 nan 0.000 0.478 264 E N 3.360 123.514 120.200 -0.077 0.000 2.318 264 E HA 0.670 5.028 4.350 0.015 0.000 0.265 264 E C -0.878 175.393 176.600 -0.549 0.000 1.069 264 E CA -0.590 55.630 56.400 -0.299 0.000 0.893 264 E CB 1.582 31.011 29.700 -0.452 0.000 1.076 264 E HN 0.470 nan 8.360 nan 0.000 0.414 265 F N -1.836 117.524 119.950 -0.982 0.000 2.814 265 F HA 0.703 5.238 4.527 0.014 0.000 0.353 265 F C -0.762 174.141 175.800 -1.496 0.000 1.177 265 F CA -1.339 55.832 58.000 -1.381 0.000 1.036 265 F CB 1.129 39.860 39.000 -0.448 0.000 1.455 265 F HN 0.356 nan 8.300 nan 0.000 0.520 266 W N 1.019 122.025 121.300 -0.490 0.000 2.820 266 W HA 0.185 4.854 4.660 0.015 0.000 0.350 266 W C 0.275 176.365 176.519 -0.714 0.000 1.116 266 W CA -0.298 56.535 57.345 -0.853 0.000 1.146 266 W CB 1.297 29.827 29.460 -1.550 0.000 1.433 266 W HN 0.727 nan 8.180 nan 0.000 0.561 267 D N -0.252 119.942 120.400 -0.343 0.000 2.221 267 D HA -0.215 4.433 4.640 0.015 0.000 0.204 267 D C 1.416 177.729 176.300 0.022 0.000 0.982 267 D CA 1.426 55.351 54.000 -0.126 0.000 0.857 267 D CB -0.618 40.169 40.800 -0.021 0.000 0.934 267 D HN 0.559 nan 8.370 nan 0.000 0.475 268 W N 0.754 122.178 121.300 0.205 0.000 3.292 268 W HA 0.348 5.017 4.660 0.015 0.000 0.263 268 W C -0.445 176.195 176.519 0.202 0.000 1.318 268 W CA -0.661 56.770 57.345 0.143 0.000 1.663 268 W CB -0.506 28.994 29.460 0.067 0.000 1.114 268 W HN -0.259 nan 8.180 nan 0.000 0.706 269 V N 2.547 122.636 119.914 0.292 0.000 2.304 269 V HA 0.416 4.544 4.120 0.015 0.000 0.269 269 V C 0.962 177.288 176.094 0.386 0.000 1.036 269 V CA -0.658 61.893 62.300 0.419 0.000 0.840 269 V CB 0.337 32.432 31.823 0.452 0.000 1.036 269 V HN 0.135 nan 8.190 nan 0.000 0.466 270 G N 3.269 112.316 108.800 0.411 0.000 2.398 270 G HA2 0.368 4.337 3.960 0.015 0.000 0.246 270 G HA3 0.368 4.337 3.960 0.015 0.000 0.246 270 G C 1.166 176.266 174.900 0.334 0.000 1.289 270 G CA 0.223 45.566 45.100 0.404 0.000 0.869 270 G HN 0.875 nan 8.290 nan 0.000 0.543 271 G N 2.326 111.259 108.800 0.222 0.000 2.505 271 G HA2 -0.303 3.666 3.960 0.015 0.000 0.220 271 G HA3 -0.303 3.666 3.960 0.015 0.000 0.220 271 G C 1.646 176.550 174.900 0.006 0.000 1.145 271 G CA 0.961 46.130 45.100 0.115 0.000 0.761 271 G HN 0.799 nan 8.290 nan 0.000 0.571 272 R N -1.054 119.410 120.500 -0.060 0.000 2.319 272 R HA 0.212 4.561 4.340 0.015 0.000 0.204 272 R C 0.311 176.294 176.300 -0.528 0.000 0.954 272 R CA 0.382 56.270 56.100 -0.353 0.000 1.066 272 R CB -0.215 29.795 30.300 -0.484 0.000 0.991 272 R HN 0.462 nan 8.270 nan 0.000 0.486 273 Y N 0.157 120.476 120.300 0.032 0.000 2.738 273 Y HA 0.169 4.728 4.550 0.015 0.000 0.249 273 Y C 1.369 177.411 175.900 0.237 0.000 1.153 273 Y CA -0.327 57.834 58.100 0.102 0.000 1.165 273 Y CB 1.253 39.633 38.460 -0.134 0.000 1.235 273 Y HN 0.187 nan 8.280 nan 0.000 0.559 274 S N -0.459 115.335 115.700 0.157 0.000 2.517 274 S HA -0.054 4.425 4.470 0.015 0.000 0.214 274 S C 1.753 176.284 174.600 -0.114 0.000 0.991 274 S CA 0.303 58.523 58.200 0.033 0.000 0.906 274 S CB -0.521 62.579 63.200 -0.166 0.000 0.789 274 S HN 0.443 nan 8.310 nan 0.000 0.513 275 L N -1.020 120.041 121.223 -0.270 0.000 2.263 275 L HA 0.177 4.525 4.340 0.015 0.000 0.216 275 L C 1.790 178.494 176.870 -0.277 0.000 1.111 275 L CA 1.031 55.641 54.840 -0.385 0.000 0.773 275 L CB -1.641 40.054 42.059 -0.607 0.000 0.906 275 L HN 0.389 nan 8.230 nan 0.000 0.439 276 W N 0.629 121.988 121.300 0.098 0.000 2.800 276 W HA 0.204 4.873 4.660 0.015 0.000 0.249 276 W C 1.954 178.613 176.519 0.233 0.000 1.294 276 W CA 0.401 57.822 57.345 0.127 0.000 1.402 276 W CB -0.679 28.842 29.460 0.102 0.000 1.126 276 W HN 0.399 nan 8.180 nan 0.000 0.652 277 S N 0.370 116.256 115.700 0.310 0.000 2.448 277 S HA 0.631 5.110 4.470 0.015 0.000 0.271 277 S C 1.678 176.348 174.600 0.117 0.000 1.145 277 S CA -0.016 58.331 58.200 0.244 0.000 1.022 277 S CB 0.236 63.480 63.200 0.075 0.000 1.202 277 S HN 0.007 nan 8.310 nan 0.000 0.479 278 A N 0.319 123.150 122.820 0.018 0.000 2.024 278 A HA 0.017 4.346 4.320 0.015 0.000 0.220 278 A C 2.089 179.575 177.584 -0.164 0.000 1.164 278 A CA 1.233 53.265 52.037 -0.009 0.000 0.643 278 A CB -1.154 17.916 19.000 0.117 0.000 0.806 278 A HN 0.700 nan 8.150 nan 0.000 0.451 279 I N 0.063 120.441 120.570 -0.320 0.000 2.423 279 I HA -0.206 3.973 4.170 0.015 0.000 0.254 279 I C 2.255 178.263 176.117 -0.183 0.000 1.151 279 I CA 1.476 62.605 61.300 -0.285 0.000 1.421 279 I CB -1.651 36.117 38.000 -0.386 0.000 1.079 279 I HN 0.377 nan 8.210 nan 0.000 0.431 280 G N 0.176 108.885 108.800 -0.152 0.000 3.124 280 G HA2 0.002 3.970 3.960 0.015 0.000 0.212 280 G HA3 0.002 3.970 3.960 0.015 0.000 0.212 280 G C 1.527 176.194 174.900 -0.388 0.000 1.181 280 G CA -0.199 44.799 45.100 -0.170 0.000 0.803 280 G HN 0.244 nan 8.290 nan 0.000 0.529 281 L N 2.025 123.051 121.223 -0.330 0.000 2.042 281 L HA -0.148 4.201 4.340 0.015 0.000 0.210 281 L C 3.007 179.712 176.870 -0.274 0.000 1.076 281 L CA 2.624 57.249 54.840 -0.358 0.000 0.749 281 L CB -0.614 41.200 42.059 -0.409 0.000 0.893 281 L HN 0.309 nan 8.230 nan 0.000 0.432 282 S N -1.275 114.306 115.700 -0.199 0.000 2.419 282 S HA -0.151 4.328 4.470 0.015 0.000 0.233 282 S C 2.019 176.582 174.600 -0.061 0.000 1.016 282 S CA 1.392 59.506 58.200 -0.143 0.000 0.974 282 S CB -0.880 62.230 63.200 -0.150 0.000 0.786 282 S HN 0.531 nan 8.310 nan 0.000 0.492 283 I N 2.178 122.699 120.570 -0.082 0.000 2.193 283 I HA -0.086 4.093 4.170 0.015 0.000 0.240 283 I C 3.118 179.204 176.117 -0.051 0.000 1.084 283 I CA 1.046 62.340 61.300 -0.010 0.000 1.365 283 I CB -0.826 37.182 38.000 0.014 0.000 1.064 283 I HN 0.390 nan 8.210 nan 0.000 0.410 284 A N 1.045 123.686 122.820 -0.299 0.000 1.917 284 A HA -0.208 4.121 4.320 0.015 0.000 0.219 284 A C 2.318 179.870 177.584 -0.053 0.000 1.182 284 A CA 1.630 53.519 52.037 -0.248 0.000 0.633 284 A CB -0.985 17.762 19.000 -0.420 0.000 0.819 284 A HN 0.410 nan 8.150 nan 0.000 0.448 285 L N -1.929 119.248 121.223 -0.076 0.000 2.141 285 L HA -0.183 4.166 4.340 0.015 0.000 0.209 285 L C 2.646 179.533 176.870 0.028 0.000 1.094 285 L CA 1.576 56.385 54.840 -0.053 0.000 0.763 285 L CB -0.489 41.506 42.059 -0.107 0.000 0.908 285 L HN 0.636 nan 8.230 nan 0.000 0.437 286 H N -0.647 118.388 119.070 -0.059 0.000 2.355 286 H HA -0.055 4.510 4.556 0.015 0.000 0.303 286 H C 1.852 177.181 175.328 0.003 0.000 1.061 286 H CA 1.778 57.810 56.048 -0.025 0.000 1.368 286 H CB 0.632 30.392 29.762 -0.003 0.000 1.412 286 H HN 0.261 nan 8.280 nan 0.000 0.523 287 V N -2.064 117.847 119.914 -0.005 0.000 3.578 287 V HA 0.447 4.576 4.120 0.015 0.000 0.290 287 V C 0.683 176.790 176.094 0.023 0.000 1.376 287 V CA 0.396 62.678 62.300 -0.031 0.000 1.083 287 V CB 0.082 31.916 31.823 0.018 0.000 0.911 287 V HN 0.603 nan 8.190 nan 0.000 0.433 288 G N -0.119 108.704 108.800 0.039 0.000 2.705 288 G HA2 -0.227 3.742 3.960 0.015 0.000 0.686 288 G HA3 -0.227 3.742 3.960 0.015 0.000 0.686 288 G C -0.405 174.580 174.900 0.142 0.000 1.285 288 G CA -0.006 45.147 45.100 0.087 0.000 0.800 288 G HN 0.303 nan 8.290 nan 0.000 0.611 289 F N 0.660 120.649 119.950 0.066 0.000 2.293 289 F HA 0.074 4.609 4.527 0.014 0.000 0.300 289 F C 2.263 178.166 175.800 0.171 0.000 1.086 289 F CA 2.072 60.153 58.000 0.135 0.000 1.375 289 F CB 0.093 39.156 39.000 0.105 0.000 1.045 289 F HN 0.561 nan 8.300 nan 0.000 0.516 290 D N -0.384 120.140 120.400 0.207 0.000 2.117 290 D HA -0.168 4.481 4.640 0.015 0.000 0.198 290 D C 1.836 178.161 176.300 0.042 0.000 0.982 290 D CA 1.451 55.528 54.000 0.128 0.000 0.828 290 D CB -0.335 40.533 40.800 0.114 0.000 0.967 290 D HN 0.340 nan 8.370 nan 0.000 0.464 291 N N -0.986 117.735 118.700 0.034 0.000 2.244 291 N HA -0.101 4.648 4.740 0.015 0.000 0.183 291 N C 1.353 176.835 175.510 -0.046 0.000 1.016 291 N CA 0.162 53.197 53.050 -0.026 0.000 0.866 291 N CB -0.021 38.452 38.487 -0.023 0.000 0.980 291 N HN 0.059 nan 8.380 nan 0.000 0.430 292 F N 2.238 122.059 119.950 -0.215 0.000 2.186 292 F HA -0.030 4.506 4.527 0.014 0.000 0.299 292 F C 1.980 177.620 175.800 -0.267 0.000 1.090 292 F CA 1.268 59.091 58.000 -0.296 0.000 1.307 292 F CB -0.042 38.646 39.000 -0.520 0.000 1.019 292 F HN -0.002 nan 8.300 nan 0.000 0.489 293 E N -0.553 119.479 120.200 -0.281 0.000 2.204 293 E HA -0.200 4.159 4.350 0.015 0.000 0.194 293 E C 2.092 178.610 176.600 -0.138 0.000 0.989 293 E CA 0.739 57.008 56.400 -0.219 0.000 0.824 293 E CB -0.122 29.560 29.700 -0.030 0.000 0.756 293 E HN 0.452 nan 8.360 nan 0.000 0.477 294 Q N 0.413 120.155 119.800 -0.097 0.000 2.123 294 Q HA -0.120 4.229 4.340 0.015 0.000 0.199 294 Q C 2.322 178.283 176.000 -0.065 0.000 0.966 294 Q CA 0.678 56.476 55.803 -0.008 0.000 0.845 294 Q CB -0.318 28.408 28.738 -0.019 0.000 0.907 294 Q HN 0.253 nan 8.270 nan 0.000 0.439 295 L N 0.620 121.740 121.223 -0.173 0.000 1.989 295 L HA -0.171 4.178 4.340 0.015 0.000 0.211 295 L C 2.160 178.962 176.870 -0.112 0.000 1.071 295 L CA 1.587 56.327 54.840 -0.167 0.000 0.749 295 L CB -0.736 41.176 42.059 -0.245 0.000 0.890 295 L HN 0.148 nan 8.230 nan 0.000 0.431 296 L N -1.210 119.873 121.223 -0.233 0.000 2.042 296 L HA -0.223 4.126 4.340 0.015 0.000 0.210 296 L C 2.493 179.287 176.870 -0.127 0.000 1.076 296 L CA 1.457 56.204 54.840 -0.156 0.000 0.749 296 L CB -0.848 41.070 42.059 -0.234 0.000 0.893 296 L HN 0.252 nan 8.230 nan 0.000 0.432 297 S N 0.164 115.810 115.700 -0.089 0.000 2.368 297 S HA -0.141 4.337 4.470 0.015 0.000 0.225 297 S C 2.072 176.517 174.600 -0.257 0.000 1.030 297 S CA 1.265 59.482 58.200 0.029 0.000 0.999 297 S CB -0.704 62.637 63.200 0.234 0.000 0.844 297 S HN 0.619 nan 8.310 nan 0.000 0.459 298 G N 1.353 109.642 108.800 -0.852 0.000 2.440 298 G HA2 -0.107 3.862 3.960 0.015 0.000 0.218 298 G HA3 -0.107 3.862 3.960 0.015 0.000 0.218 298 G C 1.547 176.156 174.900 -0.486 0.000 1.154 298 G CA 0.981 45.202 45.100 -1.466 0.000 0.767 298 G HN 0.588 nan 8.290 nan 0.000 0.552 299 A N 0.220 122.860 122.820 -0.300 0.000 1.898 299 A HA -0.057 4.272 4.320 0.015 0.000 0.216 299 A C 2.112 179.623 177.584 -0.122 0.000 1.181 299 A CA 2.028 53.894 52.037 -0.285 0.000 0.620 299 A CB -0.735 17.790 19.000 -0.790 0.000 0.819 299 A HN 0.502 nan 8.150 nan 0.000 0.442 300 H N -2.066 116.905 119.070 -0.165 0.000 2.353 300 H HA -0.205 4.359 4.556 0.014 0.000 0.300 300 H C 1.744 177.097 175.328 0.043 0.000 1.090 300 H CA 2.084 58.103 56.048 -0.049 0.000 1.327 300 H CB -0.494 29.258 29.762 -0.018 0.000 1.383 300 H HN 0.672 nan 8.280 nan 0.000 0.508 301 W N 0.228 121.457 121.300 -0.119 0.000 2.333 301 W HA -0.274 4.395 4.660 0.014 0.000 0.316 301 W C 2.399 178.898 176.519 -0.033 0.000 1.215 301 W CA 2.091 59.400 57.345 -0.061 0.000 1.278 301 W CB -0.423 29.089 29.460 0.086 0.000 1.154 301 W HN 0.290 nan 8.180 nan 0.000 0.486 302 M N 1.121 120.890 119.600 0.281 0.000 2.159 302 M HA -0.198 4.290 4.480 0.015 0.000 0.263 302 M C 1.399 177.789 176.300 0.151 0.000 1.063 302 M CA 2.112 57.557 55.300 0.242 0.000 1.110 302 M CB -1.013 31.737 32.600 0.250 0.000 1.374 302 M HN -0.088 nan 8.290 nan 0.000 0.411 303 D N -0.416 120.069 120.400 0.142 0.000 2.149 303 D HA -0.180 4.469 4.640 0.015 0.000 0.198 303 D C 2.028 178.326 176.300 -0.004 0.000 0.990 303 D CA 1.115 55.277 54.000 0.270 0.000 0.839 303 D CB -0.294 40.681 40.800 0.291 0.000 0.948 303 D HN 0.446 nan 8.370 nan 0.000 0.460 304 Q N -0.176 119.463 119.800 -0.267 0.000 2.079 304 Q HA -0.143 4.206 4.340 0.015 0.000 0.200 304 Q C 2.143 177.890 176.000 -0.421 0.000 0.974 304 Q CA 0.844 56.398 55.803 -0.415 0.000 0.840 304 Q CB -0.594 27.818 28.738 -0.545 0.000 0.898 304 Q HN 0.604 nan 8.270 nan 0.000 0.430 305 H N -0.031 118.694 119.070 -0.574 0.000 2.290 305 H HA -0.165 4.399 4.556 0.014 0.000 0.298 305 H C 1.922 177.131 175.328 -0.198 0.000 1.087 305 H CA 1.598 57.362 56.048 -0.474 0.000 1.291 305 H CB -0.292 29.145 29.762 -0.541 0.000 1.369 305 H HN 0.182 nan 8.280 nan 0.000 0.492 306 F N 1.957 121.780 119.950 -0.211 0.000 2.126 306 F HA -0.130 4.406 4.527 0.015 0.000 0.299 306 F C 2.915 178.472 175.800 -0.404 0.000 1.096 306 F CA 1.778 59.628 58.000 -0.250 0.000 1.255 306 F CB -0.562 38.291 39.000 -0.246 0.000 0.997 306 F HN 0.058 nan 8.300 nan 0.000 0.479 307 R N -0.566 119.541 120.500 -0.655 0.000 2.093 307 R HA -0.078 4.271 4.340 0.015 0.000 0.224 307 R C 1.893 177.817 176.300 -0.626 0.000 1.101 307 R CA 1.752 57.315 56.100 -0.896 0.000 0.979 307 R CB -0.321 29.351 30.300 -1.047 0.000 0.877 307 R HN 0.459 nan 8.270 nan 0.000 0.441 308 T N -3.255 111.004 114.554 -0.491 0.000 3.040 308 T HA 0.158 4.517 4.350 0.015 0.000 0.250 308 T C 0.393 174.889 174.700 -0.340 0.000 1.058 308 T CA -0.238 61.634 62.100 -0.379 0.000 0.988 308 T CB 0.493 69.169 68.868 -0.319 0.000 0.993 308 T HN -0.097 nan 8.240 nan 0.000 0.519 309 T N 4.564 118.873 114.554 -0.408 0.000 2.806 309 T HA 0.461 4.819 4.350 0.015 0.000 0.290 309 T C -2.644 171.901 174.700 -0.258 0.000 0.966 309 T CA -1.070 60.814 62.100 -0.359 0.000 1.060 309 T CB 1.213 69.729 68.868 -0.587 0.000 0.927 309 T HN 0.110 nan 8.240 nan 0.000 0.485 310 P HA 0.102 nan 4.420 nan 0.000 0.265 310 P C 1.156 178.393 177.300 -0.104 0.000 1.187 310 P CA -0.140 62.883 63.100 -0.128 0.000 0.766 310 P CB 0.441 32.086 31.700 -0.092 0.000 0.820 311 L N 2.396 123.568 121.223 -0.085 0.000 2.034 311 L HA -0.270 4.079 4.340 0.015 0.000 0.217 311 L C 2.240 179.091 176.870 -0.031 0.000 1.077 311 L CA 1.823 56.633 54.840 -0.051 0.000 0.769 311 L CB -0.988 41.043 42.059 -0.047 0.000 0.890 311 L HN 0.549 nan 8.230 nan 0.000 0.435 312 E N 0.111 120.294 120.200 -0.029 0.000 2.333 312 E HA -0.203 4.155 4.350 0.015 0.000 0.198 312 E C 0.986 177.595 176.600 0.014 0.000 1.007 312 E CA 1.067 57.461 56.400 -0.011 0.000 0.845 312 E CB -0.178 29.516 29.700 -0.011 0.000 0.766 312 E HN 0.443 nan 8.360 nan 0.000 0.507 313 K N 0.749 121.156 120.400 0.012 0.000 2.506 313 K HA 0.154 4.482 4.320 0.015 0.000 0.204 313 K C -0.018 176.642 176.600 0.099 0.000 1.045 313 K CA -0.284 56.042 56.287 0.064 0.000 1.074 313 K CB 0.359 32.887 32.500 0.046 0.000 0.842 313 K HN -0.017 nan 8.250 nan 0.000 0.514 314 N N 1.534 120.267 118.700 0.055 0.000 2.437 314 N HA 0.150 4.899 4.740 0.015 0.000 0.243 314 N C 0.805 176.459 175.510 0.240 0.000 1.041 314 N CA 0.153 53.267 53.050 0.106 0.000 0.940 314 N CB 1.436 39.944 38.487 0.035 0.000 1.133 314 N HN 0.067 nan 8.380 nan 0.000 0.506 315 A N 7.312 130.415 122.820 0.471 0.000 1.859 315 A HA -0.124 4.205 4.320 0.015 0.000 0.218 315 A C -0.501 177.143 177.584 0.101 0.000 1.209 315 A CA 1.534 53.694 52.037 0.206 0.000 0.639 315 A CB -1.469 17.587 19.000 0.095 0.000 0.835 315 A HN 0.640 nan 8.150 nan 0.000 0.450 316 P HA -0.106 nan 4.420 nan 0.000 0.218 316 P C 1.584 178.899 177.300 0.026 0.000 1.148 316 P CA 1.718 64.823 63.100 0.008 0.000 0.822 316 P CB -0.291 31.339 31.700 -0.117 0.000 0.784 317 V N 0.273 120.245 119.914 0.097 0.000 2.358 317 V HA -0.204 3.925 4.120 0.015 0.000 0.246 317 V C 2.854 178.944 176.094 -0.006 0.000 1.047 317 V CA 1.465 63.815 62.300 0.083 0.000 1.035 317 V CB -1.230 30.665 31.823 0.121 0.000 0.658 317 V HN 0.004 nan 8.190 nan 0.000 0.452 318 L N -0.698 120.498 121.223 -0.045 0.000 2.017 318 L HA -0.193 4.156 4.340 0.015 0.000 0.208 318 L C 2.456 179.246 176.870 -0.134 0.000 1.073 318 L CA 1.585 56.324 54.840 -0.169 0.000 0.745 318 L CB -0.596 41.271 42.059 -0.320 0.000 0.894 318 L HN 0.290 nan 8.230 nan 0.000 0.432 319 L N -0.422 120.766 121.223 -0.058 0.000 2.012 319 L HA -0.231 4.118 4.340 0.015 0.000 0.210 319 L C 2.937 179.834 176.870 0.045 0.000 1.073 319 L CA 1.285 56.137 54.840 0.020 0.000 0.748 319 L CB -0.845 41.243 42.059 0.048 0.000 0.891 319 L HN 0.261 nan 8.230 nan 0.000 0.431 320 A N -0.094 122.736 122.820 0.017 0.000 1.873 320 A HA -0.261 4.068 4.320 0.015 0.000 0.218 320 A C 2.257 179.825 177.584 -0.026 0.000 1.193 320 A CA 2.031 54.062 52.037 -0.011 0.000 0.629 320 A CB -0.490 18.484 19.000 -0.043 0.000 0.826 320 A HN 0.316 nan 8.150 nan 0.000 0.447 321 M N -0.465 119.111 119.600 -0.041 0.000 2.213 321 M HA -0.009 4.480 4.480 0.015 0.000 0.263 321 M C 2.066 178.371 176.300 0.009 0.000 1.062 321 M CA 0.986 56.264 55.300 -0.037 0.000 1.105 321 M CB -1.533 31.024 32.600 -0.072 0.000 1.385 321 M HN 0.380 nan 8.290 nan 0.000 0.417 322 L N -0.803 120.425 121.223 0.009 0.000 2.093 322 L HA -0.109 4.239 4.340 0.015 0.000 0.208 322 L C 2.551 179.525 176.870 0.174 0.000 1.085 322 L CA 1.161 56.032 54.840 0.051 0.000 0.755 322 L CB -1.121 41.005 42.059 0.110 0.000 0.904 322 L HN 0.381 nan 8.230 nan 0.000 0.435 323 G N 0.142 109.068 108.800 0.210 0.000 2.404 323 G HA2 -0.184 3.784 3.960 0.015 0.000 0.215 323 G HA3 -0.184 3.784 3.960 0.015 0.000 0.215 323 G C 1.514 176.588 174.900 0.290 0.000 1.174 323 G CA 0.246 45.522 45.100 0.293 0.000 0.780 323 G HN 0.116 nan 8.290 nan 0.000 0.537 324 I N 0.146 120.831 120.570 0.193 0.000 2.194 324 I HA -0.183 3.996 4.170 0.015 0.000 0.246 324 I C 2.412 178.716 176.117 0.312 0.000 1.093 324 I CA 0.957 62.399 61.300 0.237 0.000 1.355 324 I CB -1.078 36.979 38.000 0.095 0.000 1.046 324 I HN 0.483 nan 8.210 nan 0.000 0.413 325 W N 1.299 122.601 121.300 0.004 0.000 2.335 325 W HA -0.317 4.352 4.660 0.015 0.000 0.311 325 W C 2.541 179.081 176.519 0.036 0.000 1.213 325 W CA 1.490 58.794 57.345 -0.068 0.000 1.274 325 W CB -0.460 28.833 29.460 -0.278 0.000 1.148 325 W HN 0.095 nan 8.180 nan 0.000 0.498 326 Y N 0.349 120.802 120.300 0.256 0.000 2.263 326 Y HA -0.125 4.434 4.550 0.015 0.000 0.292 326 Y C 2.487 178.475 175.900 0.146 0.000 1.130 326 Y CA 1.443 59.614 58.100 0.119 0.000 1.179 326 Y CB -1.090 37.426 38.460 0.094 0.000 0.998 326 Y HN -0.094 nan 8.280 nan 0.000 0.532 327 I N -0.176 120.599 120.570 0.341 0.000 2.235 327 I HA -0.266 3.913 4.170 0.015 0.000 0.241 327 I C 1.355 177.608 176.117 0.227 0.000 1.085 327 I CA 1.617 63.091 61.300 0.290 0.000 1.378 327 I CB -0.297 37.935 38.000 0.387 0.000 1.076 327 I HN 0.184 nan 8.210 nan 0.000 0.415 328 N N -0.903 117.954 118.700 0.261 0.000 2.415 328 N HA -0.022 4.727 4.740 0.015 0.000 0.176 328 N C 1.549 177.085 175.510 0.043 0.000 1.042 328 N CA 0.604 53.800 53.050 0.244 0.000 0.902 328 N CB 0.180 38.941 38.487 0.457 0.000 0.986 328 N HN 0.289 nan 8.380 nan 0.000 0.447 329 C N -1.098 118.092 119.300 -0.183 0.000 2.487 329 C HA 0.270 4.739 4.460 0.015 0.000 0.311 329 C C 1.667 176.124 174.990 -0.889 0.000 1.367 329 C CA -0.155 58.432 59.018 -0.719 0.000 1.865 329 C CB -0.760 26.239 27.740 -1.235 0.000 2.277 329 C HN 0.351 nan 8.230 nan 0.000 0.521 330 F N 1.082 120.717 119.950 -0.525 0.000 2.754 330 F HA 0.268 4.803 4.527 0.014 0.000 0.297 330 F C 1.974 177.747 175.800 -0.045 0.000 1.122 330 F CA 1.111 58.989 58.000 -0.202 0.000 1.400 330 F CB -0.452 38.520 39.000 -0.046 0.000 1.117 330 F HN 0.351 nan 8.300 nan 0.000 0.587 331 G N 0.621 109.490 108.800 0.115 0.000 2.246 331 G HA2 -0.309 3.660 3.960 0.015 0.000 0.273 331 G HA3 -0.309 3.660 3.960 0.015 0.000 0.273 331 G C -0.058 174.921 174.900 0.130 0.000 1.055 331 G CA -0.046 45.119 45.100 0.107 0.000 0.851 331 G HN 0.311 nan 8.290 nan 0.000 0.500 332 C N 0.222 119.626 119.300 0.175 0.000 2.576 332 C HA 0.314 4.782 4.460 0.015 0.000 0.401 332 C C 1.852 176.915 174.990 0.121 0.000 1.314 332 C CA -0.180 58.921 59.018 0.139 0.000 1.855 332 C CB 0.536 28.357 27.740 0.135 0.000 2.537 332 C HN 0.668 nan 8.230 nan 0.000 0.578 333 E N 0.605 120.856 120.200 0.085 0.000 2.208 333 E HA -0.075 4.284 4.350 0.015 0.000 0.193 333 E C 1.157 177.812 176.600 0.091 0.000 0.988 333 E CA 0.971 57.410 56.400 0.065 0.000 0.828 333 E CB 0.282 29.996 29.700 0.023 0.000 0.763 333 E HN 0.900 nan 8.360 nan 0.000 0.478 334 T N -1.935 112.697 114.554 0.129 0.000 2.926 334 T HA 0.463 4.822 4.350 0.015 0.000 0.289 334 T C -0.720 174.097 174.700 0.196 0.000 1.054 334 T CA -1.001 61.225 62.100 0.210 0.000 1.015 334 T CB 2.189 71.269 68.868 0.353 0.000 1.167 334 T HN -0.159 nan 8.240 nan 0.000 0.526 335 Q N 0.542 120.453 119.800 0.185 0.000 2.294 335 Q HA 0.659 5.008 4.340 0.015 0.000 0.264 335 Q C -1.217 174.683 176.000 -0.167 0.000 0.992 335 Q CA -0.464 55.362 55.803 0.038 0.000 0.747 335 Q CB 1.463 30.232 28.738 0.052 0.000 1.262 335 Q HN 1.128 nan 8.270 nan 0.000 0.452 336 A N 3.140 125.745 122.820 -0.357 0.000 2.309 336 A HA 0.745 5.074 4.320 0.015 0.000 0.298 336 A C -0.873 176.460 177.584 -0.418 0.000 1.165 336 A CA -0.526 51.046 52.037 -0.775 0.000 0.821 336 A CB 1.072 19.454 19.000 -1.031 0.000 1.102 336 A HN 0.555 nan 8.150 nan 0.000 0.500 337 V N 3.797 123.489 119.914 -0.369 0.000 2.350 337 V HA 0.347 4.476 4.120 0.015 0.000 0.285 337 V C -0.508 175.536 176.094 -0.083 0.000 1.014 337 V CA -0.068 62.159 62.300 -0.122 0.000 0.831 337 V CB 0.902 32.711 31.823 -0.024 0.000 1.000 337 V HN 0.714 nan 8.190 nan 0.000 0.433 338 L N 7.830 129.005 121.223 -0.080 0.000 2.408 338 L HA 0.438 4.787 4.340 0.015 0.000 0.257 338 L C -2.507 174.480 176.870 0.194 0.000 1.053 338 L CA -1.407 53.408 54.840 -0.041 0.000 0.922 338 L CB 1.898 43.738 42.059 -0.365 0.000 1.261 338 L HN 0.408 nan 8.230 nan 0.000 0.458 339 P HA 0.103 nan 4.420 nan 0.000 0.286 339 P C -1.070 176.446 177.300 0.359 0.000 1.269 339 P CA -0.345 62.950 63.100 0.326 0.000 0.787 339 P CB 0.943 32.753 31.700 0.184 0.000 0.920 340 Y N 2.073 122.504 120.300 0.219 0.000 2.736 340 Y HA 0.344 4.903 4.550 0.015 0.000 0.339 340 Y C 0.252 176.229 175.900 0.129 0.000 1.301 340 Y CA -0.021 58.192 58.100 0.188 0.000 1.676 340 Y CB -0.299 38.314 38.460 0.255 0.000 1.725 340 Y HN 0.394 nan 8.280 nan 0.000 0.466 341 D N -0.221 120.296 120.400 0.195 0.000 2.548 341 D HA 0.089 4.737 4.640 0.015 0.000 0.214 341 D C 0.596 176.980 176.300 0.138 0.000 1.345 341 D CA -0.252 53.855 54.000 0.179 0.000 0.945 341 D CB 1.074 42.013 40.800 0.232 0.000 1.499 341 D HN 0.047 nan 8.370 nan 0.000 0.579 342 Q N 2.152 121.979 119.800 0.045 0.000 2.170 342 Q HA -0.125 4.224 4.340 0.015 0.000 0.203 342 Q C 0.869 176.949 176.000 0.132 0.000 0.976 342 Q CA 1.724 57.526 55.803 -0.001 0.000 0.858 342 Q CB -0.176 28.465 28.738 -0.160 0.000 0.907 342 Q HN 0.779 nan 8.270 nan 0.000 0.433 343 Y N -0.827 119.582 120.300 0.181 0.000 2.333 343 Y HA -0.109 4.450 4.550 0.014 0.000 0.290 343 Y C 1.070 177.107 175.900 0.228 0.000 1.144 343 Y CA 0.296 58.526 58.100 0.218 0.000 1.228 343 Y CB 0.248 38.811 38.460 0.171 0.000 0.985 343 Y HN 0.041 nan 8.280 nan 0.000 0.542 344 L N 0.623 122.047 121.223 0.335 0.000 2.737 344 L HA 0.015 4.364 4.340 0.015 0.000 0.236 344 L C 1.437 178.444 176.870 0.228 0.000 1.219 344 L CA -0.040 54.932 54.840 0.220 0.000 1.021 344 L CB -0.568 41.559 42.059 0.114 0.000 1.291 344 L HN 0.438 nan 8.230 nan 0.000 0.470 345 H N -2.067 117.094 119.070 0.152 0.000 2.543 345 H HA -0.016 4.548 4.556 0.014 0.000 0.286 345 H C 1.601 177.005 175.328 0.127 0.000 1.037 345 H CA 0.565 56.687 56.048 0.124 0.000 1.250 345 H CB 0.062 29.872 29.762 0.080 0.000 1.373 345 H HN 0.056 nan 8.280 nan 0.000 0.580 346 R N -0.479 119.854 120.500 -0.278 0.000 2.509 346 R HA 0.104 4.453 4.340 0.015 0.000 0.300 346 R C 0.747 177.051 176.300 0.007 0.000 0.985 346 R CA -0.260 55.723 56.100 -0.195 0.000 1.092 346 R CB -0.769 29.309 30.300 -0.370 0.000 1.237 346 R HN 0.343 nan 8.270 nan 0.000 0.546 347 F N 1.872 121.804 119.950 -0.030 0.000 2.075 347 F HA -0.153 4.383 4.527 0.014 0.000 0.297 347 F C 2.138 178.031 175.800 0.155 0.000 1.113 347 F CA 1.712 59.754 58.000 0.070 0.000 1.218 347 F CB -0.149 38.938 39.000 0.144 0.000 0.984 347 F HN 0.100 nan 8.300 nan 0.000 0.472 348 A N 0.272 123.220 122.820 0.212 0.000 1.877 348 A HA -0.101 4.228 4.320 0.015 0.000 0.216 348 A C 2.408 180.003 177.584 0.018 0.000 1.186 348 A CA 1.972 54.064 52.037 0.092 0.000 0.620 348 A CB -1.618 17.443 19.000 0.101 0.000 0.822 348 A HN 0.491 nan 8.150 nan 0.000 0.443 349 A N -1.562 121.266 122.820 0.014 0.000 1.940 349 A HA -0.148 4.180 4.320 0.015 0.000 0.219 349 A C 2.134 179.652 177.584 -0.109 0.000 1.176 349 A CA 1.759 53.778 52.037 -0.032 0.000 0.631 349 A CB -0.831 18.153 19.000 -0.026 0.000 0.814 349 A HN 0.776 nan 8.150 nan 0.000 0.446 350 Y N -0.730 119.393 120.300 -0.294 0.000 2.181 350 Y HA -0.186 4.373 4.550 0.014 0.000 0.288 350 Y C 1.692 177.245 175.900 -0.577 0.000 1.146 350 Y CA 1.831 59.642 58.100 -0.482 0.000 1.164 350 Y CB -0.418 37.641 38.460 -0.668 0.000 0.982 350 Y HN 0.281 nan 8.280 nan 0.000 0.515 351 F N 0.264 120.007 119.950 -0.346 0.000 2.802 351 F HA -0.058 4.477 4.527 0.014 0.000 0.300 351 F C 2.173 177.793 175.800 -0.300 0.000 1.168 351 F CA 0.463 58.218 58.000 -0.409 0.000 1.433 351 F CB -0.094 38.638 39.000 -0.447 0.000 1.115 351 F HN 0.155 nan 8.300 nan 0.000 0.582 352 Q N -0.097 119.632 119.800 -0.119 0.000 2.123 352 Q HA -0.236 4.113 4.340 0.015 0.000 0.199 352 Q C 2.170 178.088 176.000 -0.136 0.000 0.966 352 Q CA 1.408 57.163 55.803 -0.079 0.000 0.845 352 Q CB -0.148 28.555 28.738 -0.059 0.000 0.907 352 Q HN 0.532 nan 8.270 nan 0.000 0.439 353 Q N -0.102 119.545 119.800 -0.255 0.000 2.033 353 Q HA -0.092 4.257 4.340 0.015 0.000 0.196 353 Q C 2.076 177.883 176.000 -0.322 0.000 0.970 353 Q CA 1.249 56.886 55.803 -0.278 0.000 0.828 353 Q CB -0.249 28.278 28.738 -0.352 0.000 0.895 353 Q HN 0.368 nan 8.270 nan 0.000 0.440 354 G N 1.170 109.656 108.800 -0.523 0.000 2.513 354 G HA2 -0.342 3.627 3.960 0.015 0.000 0.219 354 G HA3 -0.342 3.627 3.960 0.015 0.000 0.219 354 G C 1.242 176.064 174.900 -0.130 0.000 1.160 354 G CA 1.281 46.098 45.100 -0.472 0.000 0.767 354 G HN 0.449 nan 8.290 nan 0.000 0.571 355 D N 0.032 120.426 120.400 -0.010 0.000 2.146 355 D HA 0.027 4.675 4.640 0.015 0.000 0.209 355 D C 2.794 179.117 176.300 0.039 0.000 0.973 355 D CA 0.653 54.688 54.000 0.058 0.000 0.860 355 D CB -0.163 40.676 40.800 0.064 0.000 1.015 355 D HN 0.297 nan 8.370 nan 0.000 0.465 356 M N 0.399 120.002 119.600 0.005 0.000 2.159 356 M HA -0.099 4.390 4.480 0.015 0.000 0.263 356 M C 2.143 178.438 176.300 -0.007 0.000 1.063 356 M CA 1.168 56.471 55.300 0.005 0.000 1.110 356 M CB -0.149 32.446 32.600 -0.009 0.000 1.374 356 M HN 0.014 nan 8.290 nan 0.000 0.411 357 E N -0.254 119.922 120.200 -0.040 0.000 2.285 357 E HA -0.089 4.270 4.350 0.015 0.000 0.194 357 E C 1.663 178.260 176.600 -0.005 0.000 0.997 357 E CA 0.867 57.247 56.400 -0.034 0.000 0.845 357 E CB 0.294 29.952 29.700 -0.070 0.000 0.782 357 E HN 0.357 nan 8.360 nan 0.000 0.491 358 S N 0.438 116.141 115.700 0.005 0.000 2.341 358 S HA 0.017 4.496 4.470 0.015 0.000 0.216 358 S C 1.291 175.909 174.600 0.030 0.000 1.034 358 S CA 0.906 59.116 58.200 0.017 0.000 0.964 358 S CB -0.092 63.138 63.200 0.049 0.000 0.882 358 S HN 0.362 nan 8.310 nan 0.000 0.469 359 N N 0.643 119.395 118.700 0.086 0.000 2.230 359 N HA 0.157 4.906 4.740 0.015 0.000 0.202 359 N C 0.463 176.015 175.510 0.069 0.000 1.119 359 N CA -0.218 52.923 53.050 0.152 0.000 0.851 359 N CB 0.538 39.246 38.487 0.368 0.000 0.990 359 N HN 0.254 nan 8.380 nan 0.000 0.497 360 G N 1.305 110.130 108.800 0.041 0.000 3.213 360 G HA2 0.080 4.048 3.960 0.015 0.000 0.263 360 G HA3 0.080 4.048 3.960 0.015 0.000 0.263 360 G C 0.058 174.984 174.900 0.044 0.000 0.829 360 G CA -0.041 45.067 45.100 0.013 0.000 1.983 360 G HN 0.017 nan 8.290 nan 0.000 0.616 361 K N 0.229 120.654 120.400 0.043 0.000 2.400 361 K HA 0.374 4.702 4.320 0.015 0.000 0.246 361 K C -0.427 176.247 176.600 0.122 0.000 0.995 361 K CA -1.027 55.324 56.287 0.107 0.000 0.840 361 K CB 1.882 34.431 32.500 0.082 0.000 1.293 361 K HN 0.405 nan 8.250 nan 0.000 0.445 362 Y N -1.543 118.722 120.300 -0.058 0.000 2.666 362 Y HA 0.419 4.978 4.550 0.015 0.000 0.260 362 Y C -0.347 175.504 175.900 -0.082 0.000 1.089 362 Y CA -0.592 57.445 58.100 -0.106 0.000 1.246 362 Y CB 0.825 39.225 38.460 -0.100 0.000 1.353 362 Y HN 0.142 nan 8.280 nan 0.000 0.558 363 I N 2.917 123.230 120.570 -0.428 0.000 2.433 363 I HA 0.293 4.472 4.170 0.015 0.000 0.292 363 I C 0.545 176.576 176.117 -0.143 0.000 1.001 363 I CA -0.720 60.350 61.300 -0.382 0.000 1.119 363 I CB 1.771 39.512 38.000 -0.432 0.000 1.289 363 I HN 0.324 nan 8.210 nan 0.000 0.438 364 T N 2.312 116.810 114.554 -0.094 0.000 2.788 364 T HA 0.300 4.658 4.350 0.015 0.000 0.280 364 T C 1.016 175.718 174.700 0.004 0.000 0.984 364 T CA -0.535 61.558 62.100 -0.012 0.000 0.972 364 T CB 1.083 69.956 68.868 0.008 0.000 1.039 364 T HN 0.572 nan 8.240 nan 0.000 0.530 365 K N 0.439 120.861 120.400 0.037 0.000 2.360 365 K HA -0.052 4.276 4.320 0.015 0.000 0.201 365 K C 2.304 178.923 176.600 0.031 0.000 1.046 365 K CA 1.229 57.546 56.287 0.050 0.000 0.945 365 K CB -0.199 32.342 32.500 0.068 0.000 0.750 365 K HN 0.731 nan 8.250 nan 0.000 0.464 366 S N -0.791 114.918 115.700 0.015 0.000 2.524 366 S HA 0.139 4.618 4.470 0.015 0.000 0.216 366 S C 1.433 176.026 174.600 -0.012 0.000 0.987 366 S CA 0.393 58.596 58.200 0.006 0.000 0.909 366 S CB 0.457 63.661 63.200 0.007 0.000 0.781 366 S HN 0.417 nan 8.310 nan 0.000 0.521 367 G N 0.597 109.379 108.800 -0.030 0.000 2.179 367 G HA2 -0.043 3.926 3.960 0.015 0.000 0.220 367 G HA3 -0.043 3.926 3.960 0.015 0.000 0.220 367 G C 0.222 175.076 174.900 -0.076 0.000 0.990 367 G CA -0.161 44.904 45.100 -0.058 0.000 0.646 367 G HN 1.225 nan 8.290 nan 0.000 0.517 368 A N 0.348 123.131 122.820 -0.061 0.000 2.354 368 A HA 0.721 5.050 4.320 0.015 0.000 0.269 368 A C 0.731 178.251 177.584 -0.107 0.000 1.109 368 A CA 0.227 52.226 52.037 -0.063 0.000 0.800 368 A CB 0.402 19.383 19.000 -0.032 0.000 1.045 368 A HN 0.663 nan 8.150 nan 0.000 0.489 369 R N 1.842 122.281 120.500 -0.101 0.000 2.389 369 R HA 0.372 4.720 4.340 0.015 0.000 0.295 369 R C 0.092 176.326 176.300 -0.111 0.000 1.075 369 R CA -0.303 55.725 56.100 -0.120 0.000 1.005 369 R CB 0.354 30.638 30.300 -0.027 0.000 0.987 369 R HN 0.734 nan 8.270 nan 0.000 0.452 370 V N 1.639 121.449 119.914 -0.173 0.000 2.999 370 V HA 0.076 4.205 4.120 0.015 0.000 0.307 370 V C 0.359 176.293 176.094 -0.266 0.000 1.084 370 V CA -0.068 62.026 62.300 -0.344 0.000 1.155 370 V CB 1.147 32.593 31.823 -0.628 0.000 0.975 370 V HN 0.981 nan 8.190 nan 0.000 0.490 371 D N 0.920 121.151 120.400 -0.281 0.000 2.720 371 D HA 0.225 4.874 4.640 0.015 0.000 0.285 371 D C -0.049 176.242 176.300 -0.015 0.000 1.359 371 D CA 0.004 53.952 54.000 -0.087 0.000 0.818 371 D CB -0.364 40.443 40.800 0.011 0.000 1.108 371 D HN 1.049 nan 8.370 nan 0.000 0.474 372 H N -3.371 115.680 119.070 -0.030 0.000 2.981 372 H HA 0.478 5.043 4.556 0.015 0.000 0.327 372 H C -0.673 174.578 175.328 -0.129 0.000 1.342 372 H CA -0.932 55.095 56.048 -0.035 0.000 1.123 372 H CB 0.413 30.159 29.762 -0.027 0.000 1.851 372 H HN -0.302 nan 8.280 nan 0.000 0.531 373 Q N 0.685 120.527 119.800 0.071 0.000 2.394 373 Q HA 0.321 4.669 4.340 0.015 0.000 0.248 373 Q C 0.243 175.986 176.000 -0.428 0.000 0.992 373 Q CA 0.663 56.400 55.803 -0.110 0.000 0.888 373 Q CB 1.576 30.298 28.738 -0.027 0.000 1.257 373 Q HN 0.982 nan 8.270 nan 0.000 0.462 374 T N -2.745 111.421 114.554 -0.648 0.000 2.664 374 T HA 0.554 4.912 4.350 0.015 0.000 0.232 374 T C 0.533 174.632 174.700 -1.001 0.000 0.958 374 T CA -0.309 60.955 62.100 -1.393 0.000 1.095 374 T CB -0.304 68.087 68.868 -0.795 0.000 1.938 374 T HN 0.597 nan 8.240 nan 0.000 0.536 375 G N 3.203 111.652 108.800 -0.585 0.000 2.287 375 G HA2 0.426 4.395 3.960 0.015 0.000 0.235 375 G HA3 0.426 4.395 3.960 0.015 0.000 0.235 375 G C -2.134 172.777 174.900 0.019 0.000 1.258 375 G CA -0.562 44.527 45.100 -0.018 0.000 0.884 375 G HN 0.700 nan 8.290 nan 0.000 0.518 376 P HA 0.380 nan 4.420 nan 0.000 0.281 376 P C -0.221 177.133 177.300 0.088 0.000 1.281 376 P CA -0.779 62.385 63.100 0.108 0.000 0.811 376 P CB 1.474 33.272 31.700 0.163 0.000 1.154 377 I N 0.629 121.254 120.570 0.092 0.000 2.337 377 I HA 0.137 4.316 4.170 0.015 0.000 0.291 377 I C 0.280 176.513 176.117 0.192 0.000 1.046 377 I CA -0.664 60.692 61.300 0.094 0.000 1.324 377 I CB 0.961 38.986 38.000 0.043 0.000 1.409 377 I HN -0.030 nan 8.210 nan 0.000 0.494 378 V N 7.697 127.700 119.914 0.149 0.000 2.509 378 V HA 0.438 4.567 4.120 0.015 0.000 0.284 378 V C -0.296 175.940 176.094 0.236 0.000 1.047 378 V CA -0.166 62.218 62.300 0.140 0.000 0.952 378 V CB 1.099 32.944 31.823 0.037 0.000 0.988 378 V HN 0.808 nan 8.190 nan 0.000 0.469 379 W N 2.952 124.212 121.300 -0.067 0.000 2.959 379 W HA 0.814 5.484 4.660 0.016 0.000 0.358 379 W C -0.322 176.149 176.519 -0.081 0.000 1.228 379 W CA -0.619 56.674 57.345 -0.087 0.000 1.183 379 W CB 1.232 30.609 29.460 -0.139 0.000 1.467 379 W HN 1.054 nan 8.180 nan 0.000 0.578 380 G N 0.862 109.637 108.800 -0.042 0.000 2.345 380 G HA2 0.343 4.311 3.960 0.015 0.000 0.310 380 G HA3 0.343 4.311 3.960 0.015 0.000 0.310 380 G C -2.023 172.954 174.900 0.128 0.000 1.476 380 G CA -0.908 44.071 45.100 -0.201 0.000 0.978 380 G HN 0.533 nan 8.290 nan 0.000 0.656 381 E N 0.015 120.388 120.200 0.289 0.000 2.367 381 E HA 0.581 4.940 4.350 0.015 0.000 0.273 381 E C -2.541 174.179 176.600 0.198 0.000 0.903 381 E CA -1.483 55.097 56.400 0.301 0.000 0.764 381 E CB 2.672 32.634 29.700 0.437 0.000 1.252 381 E HN 0.330 nan 8.360 nan 0.000 0.446 382 P HA 0.101 nan 4.420 nan 0.000 0.267 382 P C -0.042 177.163 177.300 -0.158 0.000 1.200 382 P CA -0.127 62.992 63.100 0.032 0.000 0.772 382 P CB 0.419 32.157 31.700 0.064 0.000 0.855 383 G N 0.180 108.713 108.800 -0.445 0.000 2.395 383 G HA2 0.376 4.345 3.960 0.015 0.000 0.283 383 G HA3 0.376 4.345 3.960 0.015 0.000 0.283 383 G C 0.901 175.355 174.900 -0.744 0.000 1.178 383 G CA -0.360 44.029 45.100 -1.185 0.000 0.837 383 G HN 0.518 nan 8.290 nan 0.000 0.518 384 T N -0.701 113.593 114.554 -0.434 0.000 3.129 384 T HA 0.002 4.361 4.350 0.015 0.000 0.251 384 T C 1.598 176.130 174.700 -0.279 0.000 1.117 384 T CA 0.206 62.093 62.100 -0.355 0.000 1.034 384 T CB -0.047 68.791 68.868 -0.050 0.000 0.968 384 T HN 0.448 nan 8.240 nan 0.000 0.526 385 N N 2.013 120.578 118.700 -0.225 0.000 2.058 385 N HA -0.083 4.665 4.740 0.015 0.000 0.191 385 N C 2.284 177.657 175.510 -0.228 0.000 1.037 385 N CA 1.571 54.551 53.050 -0.118 0.000 0.848 385 N CB -0.660 37.773 38.487 -0.090 0.000 1.021 385 N HN 0.595 nan 8.380 nan 0.000 0.422 386 G N 1.327 109.881 108.800 -0.410 0.000 2.507 386 G HA2 -0.291 3.678 3.960 0.015 0.000 0.221 386 G HA3 -0.291 3.678 3.960 0.015 0.000 0.221 386 G C 1.406 175.598 174.900 -1.180 0.000 1.119 386 G CA 0.697 45.289 45.100 -0.846 0.000 0.751 386 G HN 0.440 nan 8.290 nan 0.000 0.574 387 Q N -0.696 118.338 119.800 -1.276 0.000 2.291 387 Q HA -0.073 4.275 4.340 0.015 0.000 0.206 387 Q C 1.464 177.017 176.000 -0.746 0.000 0.976 387 Q CA 0.906 55.942 55.803 -1.278 0.000 0.875 387 Q CB -0.028 28.148 28.738 -0.936 0.000 0.927 387 Q HN 0.651 nan 8.270 nan 0.000 0.450 388 H N -2.325 116.525 119.070 -0.367 0.000 2.542 388 H HA 0.372 4.937 4.556 0.014 0.000 0.283 388 H C 0.671 175.923 175.328 -0.126 0.000 1.059 388 H CA 0.544 56.483 56.048 -0.182 0.000 1.162 388 H CB 0.938 30.614 29.762 -0.143 0.000 1.539 388 H HN 0.236 nan 8.280 nan 0.000 0.543 389 A N 0.414 123.165 122.820 -0.115 0.000 1.935 389 A HA 0.120 4.449 4.320 0.015 0.000 0.202 389 A C 1.059 178.733 177.584 0.150 0.000 1.772 389 A CA 0.031 52.080 52.037 0.020 0.000 1.013 389 A CB -0.167 18.874 19.000 0.068 0.000 1.077 389 A HN 0.201 nan 8.150 nan 0.000 0.565 390 F N -3.589 116.513 119.950 0.253 0.000 2.767 390 F HA 0.456 4.991 4.527 0.014 0.000 0.323 390 F C 1.258 177.304 175.800 0.410 0.000 1.091 390 F CA -0.652 57.533 58.000 0.309 0.000 1.192 390 F CB -0.145 39.069 39.000 0.357 0.000 1.056 390 F HN 0.063 nan 8.300 nan 0.000 0.571 391 Y N 2.009 122.341 120.300 0.053 0.000 2.384 391 Y HA -0.202 4.356 4.550 0.014 0.000 0.289 391 Y C 2.706 178.804 175.900 0.330 0.000 1.152 391 Y CA 1.463 59.705 58.100 0.238 0.000 1.258 391 Y CB -0.977 37.584 38.460 0.169 0.000 0.979 391 Y HN 0.336 nan 8.280 nan 0.000 0.549 392 Q N 0.673 120.702 119.800 0.382 0.000 2.077 392 Q HA -0.223 4.126 4.340 0.015 0.000 0.206 392 Q C 2.210 178.360 176.000 0.249 0.000 0.989 392 Q CA 2.067 58.034 55.803 0.273 0.000 0.853 392 Q CB -0.841 28.003 28.738 0.177 0.000 0.907 392 Q HN 0.622 nan 8.270 nan 0.000 0.418 393 L N -0.699 120.677 121.223 0.255 0.000 2.156 393 L HA -0.010 4.339 4.340 0.015 0.000 0.208 393 L C 2.102 179.081 176.870 0.181 0.000 1.095 393 L CA 0.900 55.853 54.840 0.190 0.000 0.770 393 L CB -0.107 42.058 42.059 0.177 0.000 0.914 393 L HN 0.351 nan 8.230 nan 0.000 0.439 394 I N -0.971 119.736 120.570 0.229 0.000 2.315 394 I HA -0.289 3.889 4.170 0.015 0.000 0.248 394 I C 2.099 178.224 176.117 0.013 0.000 1.117 394 I CA 1.251 62.609 61.300 0.098 0.000 1.404 394 I CB -0.431 37.567 38.000 -0.004 0.000 1.071 394 I HN 0.328 nan 8.210 nan 0.000 0.419 395 H N 0.220 119.387 119.070 0.162 0.000 2.372 395 H HA 0.028 4.592 4.556 0.014 0.000 0.301 395 H C 1.094 176.463 175.328 0.069 0.000 1.065 395 H CA 0.967 57.128 56.048 0.188 0.000 1.364 395 H CB 0.294 30.267 29.762 0.351 0.000 1.406 395 H HN 0.294 nan 8.280 nan 0.000 0.521 396 Q N 0.039 119.910 119.800 0.117 0.000 2.115 396 Q HA 0.240 4.589 4.340 0.015 0.000 0.249 396 Q C 0.277 176.283 176.000 0.011 0.000 0.830 396 Q CA -0.294 55.494 55.803 -0.026 0.000 1.104 396 Q CB 1.995 30.630 28.738 -0.172 0.000 1.207 396 Q HN 0.318 nan 8.270 nan 0.000 0.464 397 G N 0.356 109.185 108.800 0.048 0.000 2.543 397 G HA2 0.231 4.199 3.960 0.015 0.000 0.267 397 G HA3 0.231 4.199 3.960 0.015 0.000 0.267 397 G C 0.672 175.589 174.900 0.030 0.000 1.406 397 G CA 0.008 45.133 45.100 0.042 0.000 1.048 397 G HN 0.179 nan 8.290 nan 0.000 0.548 398 T N -2.700 111.870 114.554 0.027 0.000 3.132 398 T HA 0.383 4.742 4.350 0.015 0.000 0.274 398 T C 0.235 174.953 174.700 0.030 0.000 1.011 398 T CA -0.199 61.916 62.100 0.025 0.000 0.899 398 T CB 0.223 69.101 68.868 0.017 0.000 1.089 398 T HN 0.162 nan 8.240 nan 0.000 0.543 399 K N 1.697 122.117 120.400 0.033 0.000 2.221 399 K HA 0.562 4.891 4.320 0.015 0.000 0.258 399 K C -0.673 175.950 176.600 0.039 0.000 0.944 399 K CA -0.637 55.672 56.287 0.036 0.000 0.823 399 K CB 1.897 34.414 32.500 0.028 0.000 1.113 399 K HN 0.254 nan 8.250 nan 0.000 0.431 400 M N 4.808 124.431 119.600 0.038 0.000 2.120 400 M HA 0.362 4.851 4.480 0.015 0.000 0.354 400 M C -1.163 175.129 176.300 -0.013 0.000 1.287 400 M CA -0.070 55.231 55.300 0.001 0.000 1.103 400 M CB 0.219 32.822 32.600 0.006 0.000 1.623 400 M HN 0.564 nan 8.290 nan 0.000 0.471 401 I N 8.125 128.673 120.570 -0.036 0.000 2.464 401 I HA 0.361 4.539 4.170 0.015 0.000 0.277 401 I C -2.255 173.795 176.117 -0.111 0.000 1.040 401 I CA -2.049 59.248 61.300 -0.005 0.000 1.153 401 I CB 1.369 39.437 38.000 0.112 0.000 1.274 401 I HN 0.486 nan 8.210 nan 0.000 0.469 402 P HA 0.040 nan 4.420 nan 0.000 0.263 402 P C -0.847 176.383 177.300 -0.117 0.000 1.195 402 P CA -0.016 62.917 63.100 -0.279 0.000 0.762 402 P CB 0.361 31.882 31.700 -0.299 0.000 0.799 403 C N 3.249 122.519 119.300 -0.051 0.000 2.417 403 C HA 0.397 4.866 4.460 0.015 0.000 0.324 403 C C -0.075 175.004 174.990 0.148 0.000 1.240 403 C CA -0.204 58.815 59.018 0.002 0.000 1.632 403 C CB 1.107 28.904 27.740 0.094 0.000 2.241 403 C HN 0.494 nan 8.230 nan 0.000 0.499 404 D N 1.745 122.198 120.400 0.088 0.000 2.392 404 D HA 0.495 5.143 4.640 0.015 0.000 0.228 404 D C -0.837 175.597 176.300 0.223 0.000 1.074 404 D CA 0.012 54.151 54.000 0.232 0.000 0.838 404 D CB 0.522 41.471 40.800 0.249 0.000 1.067 404 D HN 0.253 nan 8.370 nan 0.000 0.511 405 F N 2.529 122.572 119.950 0.155 0.000 2.410 405 F HA 0.452 4.988 4.527 0.015 0.000 0.349 405 F C -0.106 175.991 175.800 0.495 0.000 1.117 405 F CA -0.674 57.451 58.000 0.209 0.000 1.104 405 F CB 0.741 39.575 39.000 -0.276 0.000 1.122 405 F HN 0.074 nan 8.300 nan 0.000 0.483 406 L N 5.161 126.804 121.223 0.700 0.000 2.362 406 L HA 0.722 5.071 4.340 0.015 0.000 0.271 406 L C -0.769 176.274 176.870 0.288 0.000 1.002 406 L CA -0.514 54.658 54.840 0.554 0.000 0.818 406 L CB 2.330 44.681 42.059 0.486 0.000 1.298 406 L HN 0.576 nan 8.230 nan 0.000 0.420 407 I N 2.740 123.131 120.570 -0.298 0.000 2.771 407 I HA 0.427 4.605 4.170 0.015 0.000 0.291 407 I C -2.862 172.541 176.117 -1.189 0.000 1.527 407 I CA -1.417 59.492 61.300 -0.653 0.000 1.024 407 I CB 3.312 40.691 38.000 -1.035 0.000 1.388 407 I HN 0.400 nan 8.210 nan 0.000 0.447 408 P HA 0.197 nan 4.420 nan 0.000 0.288 408 P C 0.339 177.509 177.300 -0.216 0.000 1.267 408 P CA -0.257 62.469 63.100 -0.623 0.000 0.815 408 P CB 2.310 33.952 31.700 -0.097 0.000 0.989 409 V N 2.604 122.418 119.914 -0.167 0.000 2.307 409 V HA -0.168 3.961 4.120 0.015 0.000 0.245 409 V C 1.285 177.449 176.094 0.116 0.000 1.045 409 V CA 1.784 64.068 62.300 -0.027 0.000 1.024 409 V CB -0.893 30.903 31.823 -0.044 0.000 0.651 409 V HN 0.587 nan 8.190 nan 0.000 0.449 410 Q N 0.049 119.853 119.800 0.006 0.000 2.290 410 Q HA 0.377 4.726 4.340 0.015 0.000 0.259 410 Q C -0.099 175.750 176.000 -0.252 0.000 0.941 410 Q CA -0.107 55.643 55.803 -0.088 0.000 0.912 410 Q CB 1.762 30.477 28.738 -0.038 0.000 1.244 410 Q HN 0.329 nan 8.270 nan 0.000 0.441 411 T N 1.046 115.266 114.554 -0.558 0.000 2.913 411 T HA 0.043 4.401 4.350 0.015 0.000 0.287 411 T C 1.006 175.566 174.700 -0.233 0.000 1.008 411 T CA -0.378 61.406 62.100 -0.527 0.000 1.067 411 T CB 0.836 69.263 68.868 -0.736 0.000 0.996 411 T HN 0.505 nan 8.240 nan 0.000 0.513 412 Q N 1.445 121.156 119.800 -0.149 0.000 2.435 412 Q HA 0.015 4.364 4.340 0.015 0.000 0.207 412 Q C -0.078 175.580 176.000 -0.569 0.000 0.956 412 Q CA 1.040 56.677 55.803 -0.276 0.000 0.917 412 Q CB 0.108 28.751 28.738 -0.157 0.000 0.997 412 Q HN 0.628 nan 8.270 nan 0.000 0.497 413 H N 0.345 119.387 119.070 -0.047 0.000 2.607 413 H HA 0.186 4.750 4.556 0.015 0.000 0.248 413 H C -2.095 173.184 175.328 -0.083 0.000 1.355 413 H CA -1.661 54.350 56.048 -0.061 0.000 1.524 413 H CB 1.181 30.904 29.762 -0.066 0.000 1.563 413 H HN 0.013 nan 8.280 nan 0.000 0.509 414 P HA 0.044 nan 4.420 nan 0.000 0.237 414 P C 0.786 178.098 177.300 0.019 0.000 1.723 414 P CA -0.143 62.955 63.100 -0.004 0.000 0.882 414 P CB -0.774 30.910 31.700 -0.028 0.000 1.810 415 I N -3.297 117.279 120.570 0.009 0.000 3.112 415 I HA 0.171 4.350 4.170 0.015 0.000 0.284 415 I C 0.799 176.942 176.117 0.044 0.000 1.227 415 I CA -0.558 60.734 61.300 -0.014 0.000 1.369 415 I CB 0.047 37.976 38.000 -0.118 0.000 1.376 415 I HN -0.099 nan 8.210 nan 0.000 0.608 416 R N 1.971 122.501 120.500 0.050 0.000 3.627 416 R HA -0.217 4.132 4.340 0.015 0.000 0.281 416 R C 0.113 176.458 176.300 0.075 0.000 1.140 416 R CA 1.145 57.297 56.100 0.087 0.000 0.761 416 R CB -2.125 28.285 30.300 0.183 0.000 1.181 416 R HN 0.951 nan 8.270 nan 0.000 0.472 417 K N -1.723 118.707 120.400 0.050 0.000 3.129 417 K HA -0.267 4.062 4.320 0.015 0.000 0.273 417 K C 0.764 177.396 176.600 0.054 0.000 1.123 417 K CA 1.041 57.352 56.287 0.040 0.000 0.800 417 K CB -1.691 30.827 32.500 0.030 0.000 1.238 417 K HN 0.851 nan 8.250 nan 0.000 0.492 418 G N 0.065 108.910 108.800 0.077 0.000 2.159 418 G HA2 -0.346 3.623 3.960 0.015 0.000 0.256 418 G HA3 -0.346 3.623 3.960 0.015 0.000 0.256 418 G C 0.602 175.579 174.900 0.129 0.000 0.977 418 G CA 0.312 45.474 45.100 0.104 0.000 0.652 418 G HN 0.316 nan 8.290 nan 0.000 0.531 419 L N -0.530 120.770 121.223 0.129 0.000 1.989 419 L HA -0.118 4.231 4.340 0.015 0.000 0.211 419 L C 2.603 179.525 176.870 0.087 0.000 1.071 419 L CA 2.839 57.731 54.840 0.086 0.000 0.749 419 L CB -0.389 41.707 42.059 0.062 0.000 0.890 419 L HN 0.472 nan 8.230 nan 0.000 0.431 420 H N -1.823 117.279 119.070 0.053 0.000 2.319 420 H HA -0.245 4.320 4.556 0.014 0.000 0.299 420 H C 2.202 177.590 175.328 0.100 0.000 1.092 420 H CA 2.124 58.209 56.048 0.061 0.000 1.302 420 H CB -0.320 29.475 29.762 0.055 0.000 1.373 420 H HN 0.424 nan 8.280 nan 0.000 0.497 421 H N 0.630 119.787 119.070 0.144 0.000 2.387 421 H HA -0.067 4.498 4.556 0.014 0.000 0.299 421 H C 2.262 177.619 175.328 0.048 0.000 1.090 421 H CA 1.692 57.788 56.048 0.080 0.000 1.332 421 H CB 0.097 29.889 29.762 0.050 0.000 1.386 421 H HN 0.258 nan 8.280 nan 0.000 0.516 422 K N 0.176 120.618 120.400 0.070 0.000 2.063 422 K HA -0.134 4.194 4.320 0.015 0.000 0.208 422 K C 1.997 178.575 176.600 -0.037 0.000 1.048 422 K CA 1.922 58.205 56.287 -0.007 0.000 0.928 422 K CB -0.178 32.333 32.500 0.017 0.000 0.713 422 K HN 0.348 nan 8.250 nan 0.000 0.442 423 I N 0.848 121.408 120.570 -0.016 0.000 2.286 423 I HA -0.239 3.939 4.170 0.015 0.000 0.245 423 I C 2.347 178.473 176.117 0.015 0.000 1.104 423 I CA 0.404 61.696 61.300 -0.014 0.000 1.397 423 I CB -0.202 37.776 38.000 -0.037 0.000 1.072 423 I HN 0.199 nan 8.210 nan 0.000 0.417 424 L N 0.866 122.097 121.223 0.015 0.000 2.012 424 L HA -0.201 4.147 4.340 0.015 0.000 0.210 424 L C 2.333 179.234 176.870 0.053 0.000 1.073 424 L CA 1.887 56.775 54.840 0.079 0.000 0.748 424 L CB -0.444 41.647 42.059 0.054 0.000 0.891 424 L HN 0.124 nan 8.230 nan 0.000 0.431 425 L N -0.864 120.265 121.223 -0.156 0.000 2.046 425 L HA -0.197 4.151 4.340 0.015 0.000 0.208 425 L C 2.660 179.524 176.870 -0.010 0.000 1.077 425 L CA 1.177 55.922 54.840 -0.158 0.000 0.747 425 L CB -0.857 41.048 42.059 -0.256 0.000 0.896 425 L HN 0.390 nan 8.230 nan 0.000 0.432 426 A N 0.016 122.828 122.820 -0.014 0.000 1.902 426 A HA -0.223 4.106 4.320 0.015 0.000 0.217 426 A C 2.101 179.699 177.584 0.025 0.000 1.181 426 A CA 1.902 53.937 52.037 -0.004 0.000 0.623 426 A CB -0.596 18.395 19.000 -0.015 0.000 0.818 426 A HN 0.470 nan 8.150 nan 0.000 0.443 427 N N -1.292 117.460 118.700 0.086 0.000 2.142 427 N HA -0.132 4.617 4.740 0.015 0.000 0.186 427 N C 1.613 177.190 175.510 0.111 0.000 1.023 427 N CA 1.533 54.672 53.050 0.148 0.000 0.852 427 N CB -0.394 38.257 38.487 0.273 0.000 0.998 427 N HN 0.555 nan 8.380 nan 0.000 0.424 428 F N 2.251 122.098 119.950 -0.173 0.000 2.095 428 F HA -0.152 4.384 4.527 0.014 0.000 0.298 428 F C 2.169 177.760 175.800 -0.348 0.000 1.104 428 F CA 1.269 58.928 58.000 -0.568 0.000 1.232 428 F CB -0.336 38.324 39.000 -0.568 0.000 0.987 428 F HN -0.082 nan 8.300 nan 0.000 0.475 429 L N -0.072 121.122 121.223 -0.049 0.000 2.005 429 L HA -0.156 4.193 4.340 0.015 0.000 0.207 429 L C 2.860 179.591 176.870 -0.233 0.000 1.072 429 L CA 1.190 55.944 54.840 -0.143 0.000 0.744 429 L CB -1.277 40.762 42.059 -0.034 0.000 0.895 429 L HN 0.233 nan 8.230 nan 0.000 0.433 430 A N -0.810 121.922 122.820 -0.146 0.000 1.940 430 A HA -0.225 4.104 4.320 0.015 0.000 0.219 430 A C 2.276 179.777 177.584 -0.139 0.000 1.176 430 A CA 1.362 53.321 52.037 -0.130 0.000 0.631 430 A CB -0.387 18.568 19.000 -0.076 0.000 0.814 430 A HN 0.401 nan 8.150 nan 0.000 0.446 431 Q N -0.383 119.340 119.800 -0.129 0.000 2.050 431 Q HA -0.149 4.200 4.340 0.015 0.000 0.202 431 Q C 2.457 178.295 176.000 -0.270 0.000 0.980 431 Q CA 2.358 58.139 55.803 -0.036 0.000 0.840 431 Q CB -1.141 27.733 28.738 0.227 0.000 0.898 431 Q HN 0.874 nan 8.270 nan 0.000 0.424 432 T N -1.794 112.361 114.554 -0.666 0.000 2.915 432 T HA -0.105 4.253 4.350 0.015 0.000 0.269 432 T C 1.698 176.183 174.700 -0.357 0.000 1.071 432 T CA 1.310 63.007 62.100 -0.671 0.000 1.132 432 T CB -0.008 68.348 68.868 -0.852 0.000 0.878 432 T HN 0.326 nan 8.240 nan 0.000 0.479 433 E N 1.378 121.394 120.200 -0.306 0.000 2.047 433 E HA -0.049 4.309 4.350 0.015 0.000 0.191 433 E C 2.508 179.013 176.600 -0.159 0.000 0.987 433 E CA 0.965 57.222 56.400 -0.239 0.000 0.799 433 E CB -0.433 29.136 29.700 -0.219 0.000 0.752 433 E HN 0.628 nan 8.360 nan 0.000 0.449 434 A N 1.112 123.867 122.820 -0.107 0.000 1.902 434 A HA -0.158 4.171 4.320 0.015 0.000 0.217 434 A C 2.216 179.844 177.584 0.074 0.000 1.181 434 A CA 1.127 53.140 52.037 -0.040 0.000 0.623 434 A CB -0.706 18.275 19.000 -0.032 0.000 0.818 434 A HN 0.307 nan 8.150 nan 0.000 0.443 435 L N -1.183 120.083 121.223 0.072 0.000 2.083 435 L HA -0.210 4.139 4.340 0.015 0.000 0.209 435 L C 2.872 179.745 176.870 0.006 0.000 1.083 435 L CA 1.512 56.354 54.840 0.005 0.000 0.752 435 L CB -0.421 41.547 42.059 -0.151 0.000 0.899 435 L HN 0.499 nan 8.230 nan 0.000 0.433 436 M N 0.373 119.950 119.600 -0.039 0.000 2.073 436 M HA -0.206 4.283 4.480 0.015 0.000 0.259 436 M C 2.333 178.645 176.300 0.020 0.000 1.079 436 M CA 1.908 57.201 55.300 -0.012 0.000 1.131 436 M CB -0.495 32.051 32.600 -0.089 0.000 1.316 436 M HN 0.117 nan 8.290 nan 0.000 0.415 437 K N -0.394 119.991 120.400 -0.025 0.000 2.057 437 K HA -0.009 4.320 4.320 0.015 0.000 0.206 437 K C 0.994 177.616 176.600 0.036 0.000 1.050 437 K CA 1.343 57.626 56.287 -0.007 0.000 0.935 437 K CB -0.396 32.068 32.500 -0.061 0.000 0.715 437 K HN 0.619 nan 8.250 nan 0.000 0.439 438 G N 0.950 109.778 108.800 0.046 0.000 2.697 438 G HA2 -0.318 3.651 3.960 0.015 0.000 0.240 438 G HA3 -0.318 3.651 3.960 0.015 0.000 0.240 438 G C -0.940 173.995 174.900 0.058 0.000 1.346 438 G CA 0.227 45.399 45.100 0.121 0.000 0.887 438 G HN 0.409 nan 8.290 nan 0.000 0.569 439 K N -0.233 120.258 120.400 0.152 0.000 2.656 439 K HA 0.531 4.860 4.320 0.015 0.000 0.253 439 K C 0.558 177.244 176.600 0.142 0.000 1.002 439 K CA 0.105 56.455 56.287 0.104 0.000 0.880 439 K CB 0.944 33.481 32.500 0.062 0.000 1.232 439 K HN 1.308 nan 8.250 nan 0.000 0.456 440 S N 2.135 117.888 115.700 0.089 0.000 2.596 440 S HA 0.047 4.526 4.470 0.015 0.000 0.260 440 S C 1.171 175.812 174.600 0.068 0.000 1.336 440 S CA 0.052 58.297 58.200 0.076 0.000 0.993 440 S CB 0.995 64.229 63.200 0.055 0.000 0.923 440 S HN 0.586 nan 8.310 nan 0.000 0.567 441 T N 1.232 115.817 114.554 0.052 0.000 2.665 441 T HA -0.120 4.239 4.350 0.015 0.000 0.268 441 T C 1.718 176.440 174.700 0.037 0.000 1.035 441 T CA 1.697 63.821 62.100 0.040 0.000 1.151 441 T CB -0.503 68.380 68.868 0.025 0.000 0.862 441 T HN 0.631 nan 8.240 nan 0.000 0.438 442 E N 1.074 121.293 120.200 0.032 0.000 2.077 442 E HA -0.103 4.256 4.350 0.015 0.000 0.193 442 E C 2.328 178.944 176.600 0.027 0.000 0.989 442 E CA 1.065 57.481 56.400 0.027 0.000 0.800 442 E CB -0.222 29.492 29.700 0.024 0.000 0.746 442 E HN 0.630 nan 8.360 nan 0.000 0.452 443 E N 0.470 120.688 120.200 0.030 0.000 2.051 443 E HA -0.160 4.199 4.350 0.015 0.000 0.192 443 E C 2.053 178.669 176.600 0.028 0.000 0.991 443 E CA 1.033 57.448 56.400 0.024 0.000 0.799 443 E CB -0.126 29.587 29.700 0.022 0.000 0.748 443 E HN 0.193 nan 8.360 nan 0.000 0.449 444 A N 1.616 124.464 122.820 0.046 0.000 1.865 444 A HA -0.240 4.088 4.320 0.015 0.000 0.217 444 A C 2.126 179.735 177.584 0.041 0.000 1.191 444 A CA 1.712 53.783 52.037 0.056 0.000 0.623 444 A CB -0.548 18.502 19.000 0.083 0.000 0.826 444 A HN 0.079 nan 8.150 nan 0.000 0.444 445 R N -0.151 120.370 120.500 0.035 0.000 2.096 445 R HA -0.182 4.166 4.340 0.015 0.000 0.240 445 R C 2.198 178.511 176.300 0.021 0.000 1.139 445 R CA 2.088 58.205 56.100 0.028 0.000 0.952 445 R CB -0.247 30.067 30.300 0.023 0.000 0.854 445 R HN 0.558 nan 8.270 nan 0.000 0.436 446 K N -0.039 120.372 120.400 0.018 0.000 2.097 446 K HA -0.164 4.165 4.320 0.015 0.000 0.206 446 K C 2.030 178.637 176.600 0.010 0.000 1.049 446 K CA 1.686 57.981 56.287 0.012 0.000 0.933 446 K CB -0.039 32.467 32.500 0.009 0.000 0.717 446 K HN 0.362 nan 8.250 nan 0.000 0.442 447 E N 0.901 121.109 120.200 0.012 0.000 2.047 447 E HA -0.156 4.203 4.350 0.015 0.000 0.191 447 E C 2.116 178.724 176.600 0.013 0.000 0.987 447 E CA 0.900 57.306 56.400 0.009 0.000 0.799 447 E CB -0.099 29.607 29.700 0.009 0.000 0.752 447 E HN 0.218 nan 8.360 nan 0.000 0.449 448 L N 1.045 122.281 121.223 0.021 0.000 2.042 448 L HA -0.269 4.080 4.340 0.015 0.000 0.210 448 L C 2.639 179.518 176.870 0.016 0.000 1.076 448 L CA 1.394 56.247 54.840 0.022 0.000 0.749 448 L CB -0.441 41.636 42.059 0.029 0.000 0.893 448 L HN 0.188 nan 8.230 nan 0.000 0.432 449 Q N -0.379 119.429 119.800 0.014 0.000 2.046 449 Q HA -0.176 4.173 4.340 0.015 0.000 0.200 449 Q C 2.456 178.460 176.000 0.007 0.000 0.975 449 Q CA 1.525 57.334 55.803 0.011 0.000 0.836 449 Q CB -0.313 28.431 28.738 0.010 0.000 0.896 449 Q HN 0.557 nan 8.270 nan 0.000 0.428 450 A N 1.413 124.236 122.820 0.006 0.000 1.940 450 A HA -0.101 4.228 4.320 0.015 0.000 0.219 450 A C 2.262 179.847 177.584 0.002 0.000 1.176 450 A CA 1.573 53.612 52.037 0.002 0.000 0.631 450 A CB -0.657 18.343 19.000 -0.000 0.000 0.814 450 A HN 0.388 nan 8.150 nan 0.000 0.446 451 A N -1.666 121.156 122.820 0.004 0.000 2.209 451 A HA 0.372 4.700 4.320 0.015 0.000 0.212 451 A C 1.762 179.348 177.584 0.004 0.000 1.158 451 A CA 1.304 53.343 52.037 0.003 0.000 0.742 451 A CB -1.031 17.973 19.000 0.006 0.000 0.790 451 A HN 1.991 nan 8.150 nan 0.000 0.472 452 G N -0.957 107.847 108.800 0.005 0.000 2.171 452 G HA2 -0.215 3.754 3.960 0.015 0.000 0.238 452 G HA3 -0.215 3.754 3.960 0.015 0.000 0.238 452 G C 0.016 174.920 174.900 0.007 0.000 1.039 452 G CA 0.362 45.465 45.100 0.005 0.000 0.759 452 G HN 0.497 nan 8.290 nan 0.000 0.501 453 K N 1.180 121.585 120.400 0.010 0.000 2.237 453 K HA 0.586 4.915 4.320 0.015 0.000 0.270 453 K C 1.218 177.825 176.600 0.011 0.000 1.015 453 K CA 0.429 56.724 56.287 0.012 0.000 0.949 453 K CB 0.721 33.231 32.500 0.016 0.000 0.976 453 K HN 0.540 nan 8.250 nan 0.000 0.472 454 S N 2.608 118.314 115.700 0.011 0.000 2.603 454 S HA 0.237 4.716 4.470 0.015 0.000 0.268 454 S C -1.777 172.830 174.600 0.012 0.000 1.317 454 S CA -1.039 57.167 58.200 0.010 0.000 1.012 454 S CB 0.949 64.154 63.200 0.009 0.000 0.926 454 S HN 0.417 nan 8.310 nan 0.000 0.539 455 P HA -0.118 nan 4.420 nan 0.000 0.220 455 P C 1.266 178.574 177.300 0.014 0.000 1.144 455 P CA 1.122 64.230 63.100 0.012 0.000 0.800 455 P CB 0.123 31.829 31.700 0.010 0.000 0.772 456 E N -0.326 119.882 120.200 0.014 0.000 2.042 456 E HA -0.150 4.209 4.350 0.015 0.000 0.189 456 E C 1.287 177.899 176.600 0.020 0.000 0.974 456 E CA 1.043 57.452 56.400 0.016 0.000 0.806 456 E CB -0.244 29.463 29.700 0.012 0.000 0.769 456 E HN 0.105 nan 8.360 nan 0.000 0.451 457 D N 1.304 121.715 120.400 0.018 0.000 2.092 457 D HA -0.203 4.446 4.640 0.015 0.000 0.193 457 D C 2.073 178.391 176.300 0.030 0.000 0.994 457 D CA 1.180 55.193 54.000 0.022 0.000 0.828 457 D CB -0.310 40.500 40.800 0.017 0.000 0.963 457 D HN 0.156 nan 8.370 nan 0.000 0.450 458 L N 0.217 121.456 121.223 0.028 0.000 1.990 458 L HA -0.220 4.129 4.340 0.015 0.000 0.213 458 L C 2.216 179.109 176.870 0.037 0.000 1.072 458 L CA 1.490 56.349 54.840 0.032 0.000 0.755 458 L CB -0.260 41.813 42.059 0.025 0.000 0.889 458 L HN 0.135 nan 8.230 nan 0.000 0.432 459 M N -0.087 119.532 119.600 0.031 0.000 2.202 459 M HA -0.273 4.216 4.480 0.015 0.000 0.262 459 M C 2.210 178.536 176.300 0.045 0.000 1.063 459 M CA 2.085 57.403 55.300 0.031 0.000 1.097 459 M CB -0.556 32.058 32.600 0.024 0.000 1.382 459 M HN 0.355 nan 8.290 nan 0.000 0.413 460 K N 0.189 120.621 120.400 0.052 0.000 2.031 460 K HA -0.082 4.246 4.320 0.015 0.000 0.205 460 K C 1.985 178.666 176.600 0.135 0.000 1.049 460 K CA 1.060 57.392 56.287 0.076 0.000 0.939 460 K CB -0.054 32.476 32.500 0.049 0.000 0.717 460 K HN 0.435 nan 8.250 nan 0.000 0.438 461 L N 1.069 122.357 121.223 0.109 0.000 2.209 461 L HA -0.084 4.264 4.340 0.015 0.000 0.207 461 L C 2.297 179.253 176.870 0.142 0.000 1.094 461 L CA -0.076 54.850 54.840 0.143 0.000 0.790 461 L CB -0.451 41.658 42.059 0.083 0.000 0.932 461 L HN 0.190 nan 8.230 nan 0.000 0.447 462 L N 1.877 123.150 121.223 0.084 0.000 2.026 462 L HA -0.222 4.126 4.340 0.015 0.000 0.231 462 L C -0.299 176.583 176.870 0.020 0.000 1.095 462 L CA 2.611 57.482 54.840 0.051 0.000 0.810 462 L CB -1.751 40.326 42.059 0.031 0.000 0.909 462 L HN 0.144 nan 8.230 nan 0.000 0.444 463 P HA -0.204 nan 4.420 nan 0.000 0.218 463 P C 1.233 178.405 177.300 -0.212 0.000 1.148 463 P CA 1.866 64.874 63.100 -0.153 0.000 0.822 463 P CB -0.540 31.016 31.700 -0.241 0.000 0.784 464 H N 0.227 119.288 119.070 -0.015 0.000 2.524 464 H HA 0.095 4.659 4.556 0.015 0.000 0.282 464 H C 1.363 176.661 175.328 -0.050 0.000 1.016 464 H CA 0.860 56.885 56.048 -0.038 0.000 1.270 464 H CB 0.070 29.820 29.762 -0.021 0.000 1.394 464 H HN 0.332 nan 8.280 nan 0.000 0.568 465 K N 0.937 121.395 120.400 0.097 0.000 2.387 465 K HA 0.185 4.514 4.320 0.015 0.000 0.198 465 K C 0.113 176.834 176.600 0.202 0.000 1.022 465 K CA -0.030 56.349 56.287 0.154 0.000 1.128 465 K CB 1.283 33.882 32.500 0.164 0.000 0.853 465 K HN -0.094 nan 8.250 nan 0.000 0.523 466 V N 2.104 122.053 119.914 0.058 0.000 2.498 466 V HA 0.212 4.341 4.120 0.015 0.000 0.279 466 V C -0.463 175.638 176.094 0.012 0.000 1.048 466 V CA -0.346 62.016 62.300 0.104 0.000 0.967 466 V CB 0.342 32.182 31.823 0.029 0.000 0.988 466 V HN 0.026 nan 8.190 nan 0.000 0.473 467 F N 2.844 122.817 119.950 0.039 0.000 2.427 467 F HA 0.426 4.962 4.527 0.015 0.000 0.348 467 F C 1.278 177.112 175.800 0.057 0.000 1.125 467 F CA -0.748 57.288 58.000 0.061 0.000 0.989 467 F CB 1.547 40.589 39.000 0.070 0.000 1.165 467 F HN 0.561 nan 8.300 nan 0.000 0.442 468 E N 2.189 122.488 120.200 0.165 0.000 2.347 468 E HA 0.106 4.465 4.350 0.015 0.000 0.196 468 E C 1.638 178.323 176.600 0.142 0.000 1.008 468 E CA 0.463 56.938 56.400 0.124 0.000 0.852 468 E CB 0.038 29.783 29.700 0.075 0.000 0.783 468 E HN 0.943 nan 8.360 nan 0.000 0.505 469 G N 2.278 111.192 108.800 0.190 0.000 2.574 469 G HA2 -0.453 3.516 3.960 0.015 0.000 0.282 469 G HA3 -0.453 3.516 3.960 0.015 0.000 0.282 469 G C 0.281 175.245 174.900 0.107 0.000 1.257 469 G CA 0.264 45.458 45.100 0.156 0.000 0.956 469 G HN 0.374 nan 8.290 nan 0.000 0.560 470 N N -1.209 117.549 118.700 0.096 0.000 2.747 470 N HA -0.181 4.568 4.740 0.015 0.000 0.249 470 N C 0.166 175.708 175.510 0.054 0.000 1.107 470 N CA 1.858 54.964 53.050 0.093 0.000 0.707 470 N CB -0.738 37.814 38.487 0.108 0.000 1.054 470 N HN 0.861 nan 8.380 nan 0.000 0.555 471 R N 0.840 121.354 120.500 0.023 0.000 2.215 471 R HA 0.353 4.702 4.340 0.015 0.000 0.336 471 R C -2.144 174.127 176.300 -0.049 0.000 0.996 471 R CA -1.564 54.514 56.100 -0.035 0.000 0.847 471 R CB 1.046 31.309 30.300 -0.061 0.000 1.127 471 R HN 0.199 nan 8.270 nan 0.000 0.465 472 P HA -0.016 nan 4.420 nan 0.000 0.268 472 P C -0.624 176.646 177.300 -0.050 0.000 1.204 472 P CA 0.075 63.148 63.100 -0.045 0.000 0.768 472 P CB 1.294 32.922 31.700 -0.120 0.000 0.842 473 T N -0.434 114.139 114.554 0.032 0.000 2.853 473 T HA 0.434 4.793 4.350 0.015 0.000 0.311 473 T C -0.736 174.051 174.700 0.145 0.000 1.307 473 T CA -0.922 61.222 62.100 0.074 0.000 1.019 473 T CB 1.373 70.220 68.868 -0.035 0.000 1.264 473 T HN 0.234 nan 8.240 nan 0.000 0.497 474 N N 0.561 119.391 118.700 0.217 0.000 2.361 474 N HA 0.642 5.390 4.740 0.015 0.000 0.302 474 N C -1.249 174.420 175.510 0.266 0.000 1.074 474 N CA -0.595 52.612 53.050 0.262 0.000 0.850 474 N CB 2.209 40.872 38.487 0.293 0.000 1.228 474 N HN 0.645 nan 8.380 nan 0.000 0.491 475 S N 1.515 117.373 115.700 0.263 0.000 2.640 475 S HA 0.537 5.016 4.470 0.015 0.000 0.320 475 S C -0.120 174.711 174.600 0.386 0.000 1.097 475 S CA -0.536 57.854 58.200 0.316 0.000 1.092 475 S CB 0.376 63.697 63.200 0.203 0.000 0.988 475 S HN 0.337 nan 8.310 nan 0.000 0.470 476 I N 3.906 124.748 120.570 0.452 0.000 2.359 476 I HA 0.385 4.564 4.170 0.015 0.000 0.284 476 I C -0.772 175.562 176.117 0.362 0.000 1.018 476 I CA -0.651 60.887 61.300 0.396 0.000 1.173 476 I CB 1.305 39.540 38.000 0.392 0.000 1.326 476 I HN 0.223 nan 8.210 nan 0.000 0.462 477 V N 7.205 127.261 119.914 0.236 0.000 2.417 477 V HA 0.514 4.643 4.120 0.015 0.000 0.291 477 V C -0.390 175.752 176.094 0.079 0.000 1.024 477 V CA -0.634 61.637 62.300 -0.047 0.000 0.861 477 V CB 1.251 33.040 31.823 -0.056 0.000 0.985 477 V HN 0.488 nan 8.190 nan 0.000 0.436 478 F N 0.459 120.421 119.950 0.020 0.000 2.563 478 F HA 0.594 5.129 4.527 0.014 0.000 0.316 478 F C 1.307 177.128 175.800 0.036 0.000 1.076 478 F CA -0.854 57.168 58.000 0.037 0.000 0.921 478 F CB 1.077 40.095 39.000 0.031 0.000 1.209 478 F HN 0.318 nan 8.300 nan 0.000 0.462 479 T N -0.375 114.294 114.554 0.193 0.000 2.624 479 T HA -0.208 4.151 4.350 0.015 0.000 0.268 479 T C 0.342 175.107 174.700 0.108 0.000 1.041 479 T CA 1.926 64.096 62.100 0.117 0.000 1.159 479 T CB -0.215 68.734 68.868 0.135 0.000 0.863 479 T HN 0.647 nan 8.240 nan 0.000 0.434 480 K N -0.422 120.106 120.400 0.213 0.000 2.562 480 K HA 0.406 4.735 4.320 0.015 0.000 0.267 480 K C -2.120 174.684 176.600 0.341 0.000 0.938 480 K CA -0.797 55.615 56.287 0.209 0.000 0.840 480 K CB 1.401 33.979 32.500 0.131 0.000 1.390 480 K HN -0.070 nan 8.250 nan 0.000 0.428 481 L N 3.978 125.402 121.223 0.335 0.000 2.387 481 L HA 0.268 4.617 4.340 0.015 0.000 0.267 481 L C -0.372 176.595 176.870 0.161 0.000 1.197 481 L CA 0.424 55.439 54.840 0.292 0.000 1.070 481 L CB -0.173 42.092 42.059 0.343 0.000 1.349 481 L HN 0.694 nan 8.230 nan 0.000 0.422 482 T N 0.914 115.514 114.554 0.077 0.000 2.936 482 T HA 0.528 4.887 4.350 0.015 0.000 0.282 482 T C -1.857 172.722 174.700 -0.203 0.000 1.003 482 T CA -1.872 60.181 62.100 -0.079 0.000 1.005 482 T CB 1.299 70.166 68.868 -0.001 0.000 1.097 482 T HN 0.182 nan 8.240 nan 0.000 0.532 483 P HA -0.014 nan 4.420 nan 0.000 0.216 483 P C 1.114 178.345 177.300 -0.115 0.000 1.150 483 P CA 0.759 63.688 63.100 -0.285 0.000 0.837 483 P CB -0.096 31.394 31.700 -0.352 0.000 0.786 484 F N -0.223 119.607 119.950 -0.200 0.000 2.128 484 F HA -0.142 4.394 4.527 0.015 0.000 0.295 484 F C 1.961 177.695 175.800 -0.111 0.000 1.100 484 F CA 1.269 59.181 58.000 -0.146 0.000 1.260 484 F CB -0.379 38.509 39.000 -0.187 0.000 1.009 484 F HN -0.263 nan 8.300 nan 0.000 0.476 485 I N 0.178 120.826 120.570 0.131 0.000 2.252 485 I HA -0.229 3.949 4.170 0.015 0.000 0.245 485 I C 2.416 178.435 176.117 -0.162 0.000 1.102 485 I CA 1.066 62.359 61.300 -0.012 0.000 1.385 485 I CB -1.446 36.554 38.000 0.000 0.000 1.064 485 I HN 0.279 nan 8.210 nan 0.000 0.414 486 L N 1.613 122.753 121.223 -0.138 0.000 2.012 486 L HA -0.088 4.261 4.340 0.015 0.000 0.210 486 L C 2.448 179.306 176.870 -0.020 0.000 1.073 486 L CA 2.324 57.094 54.840 -0.116 0.000 0.748 486 L CB -1.297 40.706 42.059 -0.094 0.000 0.891 486 L HN 0.214 nan 8.230 nan 0.000 0.431 487 G N -1.016 107.765 108.800 -0.033 0.000 2.469 487 G HA2 -0.316 3.653 3.960 0.015 0.000 0.219 487 G HA3 -0.316 3.653 3.960 0.015 0.000 0.219 487 G C 1.582 176.522 174.900 0.066 0.000 1.150 487 G CA 0.987 46.151 45.100 0.107 0.000 0.763 487 G HN 0.677 nan 8.290 nan 0.000 0.561 488 A N 0.314 123.062 122.820 -0.120 0.000 1.930 488 A HA 0.182 4.511 4.320 0.015 0.000 0.217 488 A C 2.448 180.045 177.584 0.022 0.000 1.175 488 A CA 1.141 53.140 52.037 -0.065 0.000 0.627 488 A CB -0.330 18.598 19.000 -0.119 0.000 0.815 488 A HN 0.357 nan 8.150 nan 0.000 0.443 489 L N -0.469 120.750 121.223 -0.007 0.000 2.017 489 L HA -0.197 4.152 4.340 0.015 0.000 0.208 489 L C 2.496 179.542 176.870 0.293 0.000 1.073 489 L CA 1.374 56.239 54.840 0.040 0.000 0.745 489 L CB -0.559 41.460 42.059 -0.066 0.000 0.894 489 L HN 0.387 nan 8.230 nan 0.000 0.432 490 I N -0.125 120.704 120.570 0.433 0.000 2.142 490 I HA -0.299 3.880 4.170 0.015 0.000 0.240 490 I C 2.850 179.298 176.117 0.551 0.000 1.078 490 I CA 1.265 62.963 61.300 0.664 0.000 1.343 490 I CB -0.592 37.725 38.000 0.529 0.000 1.046 490 I HN 0.201 nan 8.210 nan 0.000 0.405 491 A N 0.629 123.650 122.820 0.335 0.000 1.917 491 A HA -0.297 4.031 4.320 0.015 0.000 0.219 491 A C 2.437 180.016 177.584 -0.009 0.000 1.182 491 A CA 2.123 54.193 52.037 0.054 0.000 0.633 491 A CB -0.768 18.173 19.000 -0.098 0.000 0.819 491 A HN 0.501 nan 8.150 nan 0.000 0.448 492 M N -1.802 117.834 119.600 0.060 0.000 2.082 492 M HA -0.228 4.261 4.480 0.015 0.000 0.258 492 M C 2.032 178.294 176.300 -0.062 0.000 1.069 492 M CA 2.055 57.343 55.300 -0.019 0.000 1.102 492 M CB -0.289 32.230 32.600 -0.136 0.000 1.336 492 M HN 0.556 nan 8.290 nan 0.000 0.404 493 Y N 0.300 120.620 120.300 0.034 0.000 2.314 493 Y HA -0.156 4.403 4.550 0.015 0.000 0.293 493 Y C 2.281 178.213 175.900 0.053 0.000 1.129 493 Y CA 1.202 59.236 58.100 -0.110 0.000 1.201 493 Y CB -0.077 37.982 38.460 -0.669 0.000 0.999 493 Y HN 0.357 nan 8.280 nan 0.000 0.541 494 E N -0.635 119.771 120.200 0.343 0.000 2.118 494 E HA -0.228 4.130 4.350 0.015 0.000 0.195 494 E C 1.670 178.419 176.600 0.248 0.000 0.992 494 E CA 1.237 57.861 56.400 0.373 0.000 0.804 494 E CB -0.158 29.730 29.700 0.312 0.000 0.741 494 E HN 0.589 nan 8.360 nan 0.000 0.458 495 H N 0.401 119.545 119.070 0.123 0.000 2.470 495 H HA 0.010 4.575 4.556 0.015 0.000 0.289 495 H C 1.977 177.248 175.328 -0.096 0.000 1.033 495 H CA 0.846 56.797 56.048 -0.162 0.000 1.331 495 H CB 0.027 29.338 29.762 -0.751 0.000 1.414 495 H HN 0.102 nan 8.280 nan 0.000 0.545 496 K N 1.199 121.657 120.400 0.095 0.000 2.026 496 K HA -0.092 4.237 4.320 0.015 0.000 0.208 496 K C 2.053 178.722 176.600 0.115 0.000 1.048 496 K CA 1.086 57.424 56.287 0.085 0.000 0.929 496 K CB -0.120 32.458 32.500 0.130 0.000 0.713 496 K HN 0.141 nan 8.250 nan 0.000 0.439 497 I N 0.772 121.452 120.570 0.184 0.000 2.264 497 I HA -0.262 3.916 4.170 0.015 0.000 0.248 497 I C 2.326 178.550 176.117 0.178 0.000 1.111 497 I CA 1.125 62.534 61.300 0.181 0.000 1.382 497 I CB -0.320 37.833 38.000 0.255 0.000 1.060 497 I HN 0.193 nan 8.210 nan 0.000 0.418 498 F N 1.414 121.455 119.950 0.151 0.000 2.075 498 F HA -0.204 4.332 4.527 0.014 0.000 0.297 498 F C 2.360 178.230 175.800 0.116 0.000 1.113 498 F CA 1.700 59.820 58.000 0.200 0.000 1.218 498 F CB -0.500 38.728 39.000 0.381 0.000 0.984 498 F HN -0.238 nan 8.300 nan 0.000 0.472 499 V N 0.920 120.905 119.914 0.118 0.000 2.252 499 V HA -0.379 3.750 4.120 0.015 0.000 0.249 499 V C 2.390 178.321 176.094 -0.272 0.000 1.056 499 V CA 2.462 64.731 62.300 -0.051 0.000 1.022 499 V CB -1.065 30.800 31.823 0.070 0.000 0.641 499 V HN 0.444 nan 8.190 nan 0.000 0.445 500 Q N -0.015 119.597 119.800 -0.313 0.000 2.135 500 Q HA -0.165 4.184 4.340 0.015 0.000 0.204 500 Q C 2.401 177.984 176.000 -0.694 0.000 0.981 500 Q CA 1.681 57.064 55.803 -0.700 0.000 0.856 500 Q CB -0.583 27.706 28.738 -0.748 0.000 0.902 500 Q HN 0.747 nan 8.270 nan 0.000 0.425 501 G N 0.287 108.903 108.800 -0.305 0.000 2.418 501 G HA2 -0.215 3.754 3.960 0.015 0.000 0.217 501 G HA3 -0.215 3.754 3.960 0.015 0.000 0.217 501 G C 1.510 176.313 174.900 -0.162 0.000 1.158 501 G CA 0.882 45.919 45.100 -0.105 0.000 0.771 501 G HN 0.214 nan 8.290 nan 0.000 0.545 502 V N 0.519 120.227 119.914 -0.342 0.000 2.358 502 V HA -0.160 3.969 4.120 0.015 0.000 0.246 502 V C 3.015 178.996 176.094 -0.187 0.000 1.047 502 V CA 1.409 63.543 62.300 -0.277 0.000 1.035 502 V CB -0.425 31.176 31.823 -0.370 0.000 0.658 502 V HN 0.242 nan 8.190 nan 0.000 0.452 503 V N -1.251 118.493 119.914 -0.284 0.000 2.332 503 V HA -0.243 3.886 4.120 0.015 0.000 0.248 503 V C 2.166 178.153 176.094 -0.179 0.000 1.055 503 V CA 1.847 63.977 62.300 -0.284 0.000 1.038 503 V CB -0.631 30.929 31.823 -0.438 0.000 0.651 503 V HN 0.657 nan 8.190 nan 0.000 0.450 504 W N -0.701 120.546 121.300 -0.090 0.000 2.905 504 W HA 0.168 4.837 4.660 0.015 0.000 0.251 504 W C 1.392 177.924 176.519 0.022 0.000 1.305 504 W CA 0.648 57.977 57.345 -0.026 0.000 1.465 504 W CB -0.798 28.715 29.460 0.088 0.000 1.122 504 W HN 0.509 nan 8.180 nan 0.000 0.659 505 D N 0.162 120.657 120.400 0.159 0.000 2.907 505 D HA -0.203 4.446 4.640 0.015 0.000 0.226 505 D C 0.035 176.403 176.300 0.112 0.000 1.141 505 D CA 0.865 54.924 54.000 0.098 0.000 0.779 505 D CB -1.420 39.430 40.800 0.083 0.000 1.095 505 D HN 0.285 nan 8.370 nan 0.000 0.430 506 I N -3.908 116.749 120.570 0.144 0.000 2.924 506 I HA 0.531 4.710 4.170 0.015 0.000 0.316 506 I C 0.469 176.641 176.117 0.092 0.000 1.014 506 I CA -1.073 60.297 61.300 0.117 0.000 1.106 506 I CB 1.297 39.385 38.000 0.147 0.000 1.311 506 I HN -0.120 nan 8.210 nan 0.000 0.502 507 N N 2.090 120.850 118.700 0.100 0.000 2.521 507 N HA 0.194 4.943 4.740 0.015 0.000 0.236 507 N C 0.042 175.566 175.510 0.022 0.000 1.067 507 N CA -0.091 53.033 53.050 0.124 0.000 0.939 507 N CB 0.645 39.246 38.487 0.191 0.000 1.201 507 N HN 0.617 nan 8.380 nan 0.000 0.511 508 S N 2.515 118.095 115.700 -0.199 0.000 2.660 508 S HA 0.075 4.554 4.470 0.015 0.000 0.228 508 S C 0.303 174.467 174.600 -0.728 0.000 0.966 508 S CA 0.312 58.211 58.200 -0.501 0.000 0.940 508 S CB -0.381 62.338 63.200 -0.802 0.000 0.773 508 S HN 0.608 nan 8.310 nan 0.000 0.535 509 F N 0.647 120.705 119.950 0.181 0.000 2.798 509 F HA 0.253 4.789 4.527 0.015 0.000 0.328 509 F C 0.514 176.372 175.800 0.097 0.000 1.098 509 F CA -0.919 57.185 58.000 0.173 0.000 1.172 509 F CB 0.466 39.563 39.000 0.163 0.000 1.072 509 F HN 0.097 nan 8.300 nan 0.000 0.555 510 D N -0.201 120.285 120.400 0.144 0.000 2.569 510 D HA 0.370 5.018 4.640 0.015 0.000 0.266 510 D C -0.203 176.010 176.300 -0.145 0.000 1.164 510 D CA -0.573 53.385 54.000 -0.070 0.000 1.071 510 D CB 0.620 41.365 40.800 -0.092 0.000 1.183 510 D HN 0.022 nan 8.370 nan 0.000 0.613 511 Q N -0.728 118.839 119.800 -0.388 0.000 3.693 511 Q HA 0.104 4.453 4.340 0.015 0.000 0.226 511 Q C -1.011 174.846 176.000 -0.238 0.000 0.757 511 Q CA -0.529 55.147 55.803 -0.211 0.000 0.891 511 Q CB -1.319 27.346 28.738 -0.122 0.000 1.561 511 Q HN 0.757 nan 8.270 nan 0.000 0.390 512 W N 0.842 122.184 121.300 0.069 0.000 2.595 512 W HA 0.165 4.833 4.660 0.014 0.000 0.257 512 W C 1.946 178.500 176.519 0.058 0.000 1.267 512 W CA 0.821 58.204 57.345 0.062 0.000 1.300 512 W CB 0.222 29.719 29.460 0.061 0.000 1.120 512 W HN 0.628 nan 8.180 nan 0.000 0.618 513 G N 0.686 109.617 108.800 0.220 0.000 2.586 513 G HA2 -0.179 3.789 3.960 0.015 0.000 0.215 513 G HA3 -0.179 3.789 3.960 0.015 0.000 0.215 513 G C 1.334 176.293 174.900 0.098 0.000 1.128 513 G CA 1.343 46.534 45.100 0.152 0.000 0.774 513 G HN 0.328 nan 8.290 nan 0.000 0.543 514 V N -3.204 116.761 119.914 0.084 0.000 3.590 514 V HA 0.275 4.404 4.120 0.015 0.000 0.265 514 V C 1.891 178.028 176.094 0.072 0.000 1.239 514 V CA 1.100 63.431 62.300 0.053 0.000 1.117 514 V CB 0.134 31.967 31.823 0.017 0.000 0.818 514 V HN 0.310 nan 8.190 nan 0.000 0.451 515 E N 0.445 120.717 120.200 0.121 0.000 2.031 515 E HA -0.198 4.161 4.350 0.015 0.000 0.193 515 E C 2.056 178.712 176.600 0.094 0.000 0.994 515 E CA 1.737 58.214 56.400 0.128 0.000 0.800 515 E CB -0.206 29.616 29.700 0.203 0.000 0.752 515 E HN 0.540 nan 8.360 nan 0.000 0.447 516 L N 0.670 121.947 121.223 0.089 0.000 2.013 516 L HA -0.147 4.201 4.340 0.015 0.000 0.212 516 L C 2.183 179.084 176.870 0.050 0.000 1.073 516 L CA 2.447 57.326 54.840 0.065 0.000 0.753 516 L CB -1.066 41.028 42.059 0.058 0.000 0.890 516 L HN 0.155 nan 8.230 nan 0.000 0.432 517 G N -0.993 107.833 108.800 0.042 0.000 2.440 517 G HA2 -0.276 3.693 3.960 0.015 0.000 0.218 517 G HA3 -0.276 3.693 3.960 0.015 0.000 0.218 517 G C 1.674 176.592 174.900 0.030 0.000 1.154 517 G CA 0.933 46.050 45.100 0.028 0.000 0.767 517 G HN 0.439 nan 8.290 nan 0.000 0.552 518 K N 0.645 121.067 120.400 0.036 0.000 2.009 518 K HA -0.174 4.155 4.320 0.015 0.000 0.210 518 K C 2.841 179.464 176.600 0.040 0.000 1.049 518 K CA 1.708 58.016 56.287 0.035 0.000 0.929 518 K CB -0.315 32.208 32.500 0.040 0.000 0.714 518 K HN 0.627 nan 8.250 nan 0.000 0.440 519 Q N 1.009 120.839 119.800 0.048 0.000 2.124 519 Q HA -0.138 4.211 4.340 0.015 0.000 0.202 519 Q C 2.090 178.121 176.000 0.052 0.000 0.977 519 Q CA 1.280 57.112 55.803 0.050 0.000 0.850 519 Q CB -0.452 28.318 28.738 0.053 0.000 0.901 519 Q HN 0.286 nan 8.270 nan 0.000 0.429 520 L N 0.626 121.881 121.223 0.054 0.000 2.141 520 L HA -0.078 4.271 4.340 0.015 0.000 0.209 520 L C 2.673 179.576 176.870 0.056 0.000 1.094 520 L CA 0.790 55.670 54.840 0.067 0.000 0.763 520 L CB -0.652 41.443 42.059 0.060 0.000 0.908 520 L HN 0.355 nan 8.230 nan 0.000 0.437 521 A N -0.222 122.619 122.820 0.036 0.000 1.930 521 A HA -0.157 4.172 4.320 0.015 0.000 0.217 521 A C 2.311 179.914 177.584 0.032 0.000 1.175 521 A CA 1.223 53.274 52.037 0.024 0.000 0.627 521 A CB -0.219 18.791 19.000 0.017 0.000 0.815 521 A HN 0.148 nan 8.150 nan 0.000 0.443 522 K N 0.109 120.532 120.400 0.038 0.000 2.147 522 K HA -0.071 4.258 4.320 0.015 0.000 0.205 522 K C 1.803 178.431 176.600 0.047 0.000 1.049 522 K CA 1.004 57.314 56.287 0.037 0.000 0.936 522 K CB -0.201 32.321 32.500 0.036 0.000 0.722 522 K HN 0.316 nan 8.250 nan 0.000 0.446 523 K N 0.721 121.159 120.400 0.063 0.000 2.057 523 K HA 0.014 4.342 4.320 0.015 0.000 0.206 523 K C 2.239 178.903 176.600 0.108 0.000 1.050 523 K CA 0.843 57.180 56.287 0.084 0.000 0.935 523 K CB -0.201 32.366 32.500 0.111 0.000 0.715 523 K HN 0.184 nan 8.250 nan 0.000 0.439 524 I N 0.662 121.292 120.570 0.099 0.000 2.406 524 I HA -0.180 3.999 4.170 0.015 0.000 0.249 524 I C 2.428 178.573 176.117 0.047 0.000 1.122 524 I CA 0.672 62.018 61.300 0.076 0.000 1.431 524 I CB -0.176 37.818 38.000 -0.010 0.000 1.087 524 I HN 0.250 nan 8.210 nan 0.000 0.424 525 E N 1.608 121.830 120.200 0.035 0.000 2.048 525 E HA -0.247 4.112 4.350 0.015 0.000 0.202 525 E C -0.587 176.030 176.600 0.028 0.000 1.021 525 E CA 2.088 58.504 56.400 0.026 0.000 0.825 525 E CB -0.761 28.954 29.700 0.023 0.000 0.756 525 E HN 0.342 nan 8.360 nan 0.000 0.454 526 P HA -0.133 nan 4.420 nan 0.000 0.221 526 P C 0.439 177.759 177.300 0.033 0.000 1.150 526 P CA 1.290 64.407 63.100 0.029 0.000 0.800 526 P CB -0.045 31.673 31.700 0.029 0.000 0.787 527 E N -0.110 120.119 120.200 0.047 0.000 2.347 527 E HA -0.020 4.339 4.350 0.015 0.000 0.196 527 E C 2.091 178.714 176.600 0.039 0.000 1.008 527 E CA 0.413 56.845 56.400 0.053 0.000 0.852 527 E CB -0.418 29.338 29.700 0.093 0.000 0.783 527 E HN 0.312 nan 8.360 nan 0.000 0.505 528 L N 1.252 122.493 121.223 0.030 0.000 2.217 528 L HA -0.069 4.280 4.340 0.015 0.000 0.211 528 L C 0.304 177.182 176.870 0.015 0.000 1.107 528 L CA 0.304 55.156 54.840 0.020 0.000 0.783 528 L CB -0.265 41.803 42.059 0.015 0.000 0.919 528 L HN 0.006 nan 8.230 nan 0.000 0.442 529 D N 0.845 121.255 120.400 0.016 0.000 2.414 529 D HA 0.401 5.050 4.640 0.015 0.000 0.242 529 D C 0.672 176.978 176.300 0.010 0.000 1.129 529 D CA 1.111 55.117 54.000 0.011 0.000 0.885 529 D CB 0.657 41.464 40.800 0.012 0.000 1.198 529 D HN 0.257 nan 8.370 nan 0.000 0.437 530 G N 0.943 109.747 108.800 0.005 0.000 2.758 530 G HA2 -0.117 3.851 3.960 0.015 0.000 0.686 530 G HA3 -0.117 3.851 3.960 0.015 0.000 0.686 530 G C 0.518 175.419 174.900 0.002 0.000 1.389 530 G CA -0.049 45.054 45.100 0.004 0.000 0.845 530 G HN 0.690 nan 8.290 nan 0.000 0.572 531 S N -1.203 114.497 115.700 0.000 0.000 2.577 531 S HA 0.465 4.944 4.470 0.015 0.000 0.219 531 S C 0.969 175.570 174.600 0.003 0.000 0.962 531 S CA 0.870 59.069 58.200 -0.003 0.000 0.921 531 S CB 0.384 63.580 63.200 -0.008 0.000 0.789 531 S HN 1.245 nan 8.310 nan 0.000 0.497 532 S N 5.191 120.895 115.700 0.008 0.000 2.510 532 S HA 0.309 4.787 4.470 0.015 0.000 0.279 532 S C -2.056 172.555 174.600 0.018 0.000 1.284 532 S CA -0.819 57.388 58.200 0.012 0.000 1.059 532 S CB 0.403 63.610 63.200 0.012 0.000 0.901 532 S HN 0.458 nan 8.310 nan 0.000 0.491 533 P HA 0.146 nan 4.420 nan 0.000 0.270 533 P C -0.769 176.553 177.300 0.037 0.000 1.223 533 P CA -0.284 62.833 63.100 0.029 0.000 0.785 533 P CB 0.491 32.207 31.700 0.027 0.000 0.923 534 V N 1.654 121.599 119.914 0.051 0.000 2.667 534 V HA 0.452 4.581 4.120 0.015 0.000 0.308 534 V C 1.122 177.260 176.094 0.073 0.000 1.048 534 V CA 0.060 62.402 62.300 0.070 0.000 0.928 534 V CB 1.578 33.465 31.823 0.108 0.000 1.004 534 V HN 0.844 nan 8.190 nan 0.000 0.444 535 T N -2.950 111.641 114.554 0.062 0.000 3.326 535 T HA 0.010 4.369 4.350 0.015 0.000 0.302 535 T C 1.027 175.740 174.700 0.022 0.000 0.908 535 T CA 0.449 62.578 62.100 0.048 0.000 0.933 535 T CB -0.049 68.835 68.868 0.027 0.000 1.194 535 T HN 0.636 nan 8.240 nan 0.000 0.585 536 S N 0.491 116.187 115.700 -0.007 0.000 2.603 536 S HA 0.172 4.651 4.470 0.015 0.000 0.220 536 S C 0.591 175.021 174.600 -0.283 0.000 0.967 536 S CA -0.296 57.822 58.200 -0.137 0.000 0.920 536 S CB -0.505 62.580 63.200 -0.193 0.000 0.773 536 S HN 0.652 nan 8.310 nan 0.000 0.529 537 H N 1.461 120.536 119.070 0.007 0.000 3.117 537 H HA 0.389 4.954 4.556 0.015 0.000 0.288 537 H C -0.595 174.735 175.328 0.004 0.000 1.604 537 H CA -0.441 55.611 56.048 0.006 0.000 1.488 537 H CB 0.356 30.123 29.762 0.008 0.000 1.813 537 H HN 0.404 nan 8.280 nan 0.000 0.817 538 D N -0.966 119.531 120.400 0.163 0.000 2.371 538 D HA -0.009 4.639 4.640 0.015 0.000 0.242 538 D C 1.174 177.516 176.300 0.070 0.000 1.218 538 D CA -0.010 54.037 54.000 0.079 0.000 0.945 538 D CB 0.678 41.511 40.800 0.056 0.000 1.137 538 D HN 0.421 nan 8.370 nan 0.000 0.464 539 S N -0.263 115.461 115.700 0.040 0.000 2.442 539 S HA -0.234 4.244 4.470 0.015 0.000 0.236 539 S C 1.861 176.474 174.600 0.021 0.000 1.007 539 S CA 0.946 59.164 58.200 0.031 0.000 0.965 539 S CB -0.567 62.643 63.200 0.018 0.000 0.773 539 S HN 0.493 nan 8.310 nan 0.000 0.504 540 S N 1.505 117.212 115.700 0.012 0.000 2.348 540 S HA -0.085 4.393 4.470 0.015 0.000 0.219 540 S C 1.983 176.575 174.600 -0.014 0.000 1.033 540 S CA 1.660 59.856 58.200 -0.008 0.000 0.974 540 S CB -1.237 61.953 63.200 -0.017 0.000 0.868 540 S HN 0.654 nan 8.310 nan 0.000 0.459 541 T N 2.543 117.087 114.554 -0.017 0.000 2.720 541 T HA -0.103 4.256 4.350 0.015 0.000 0.268 541 T C 1.626 176.299 174.700 -0.045 0.000 1.037 541 T CA 1.832 63.889 62.100 -0.072 0.000 1.144 541 T CB -0.752 68.027 68.868 -0.149 0.000 0.864 541 T HN 0.567 nan 8.240 nan 0.000 0.444 542 N N 0.434 119.152 118.700 0.030 0.000 2.084 542 N HA -0.069 4.679 4.740 0.015 0.000 0.190 542 N C 2.298 177.835 175.510 0.045 0.000 1.030 542 N CA 0.891 53.977 53.050 0.061 0.000 0.849 542 N CB -0.312 38.222 38.487 0.078 0.000 1.012 542 N HN 0.413 nan 8.380 nan 0.000 0.423 543 G N 1.445 110.265 108.800 0.034 0.000 2.418 543 G HA2 -0.195 3.774 3.960 0.015 0.000 0.217 543 G HA3 -0.195 3.774 3.960 0.015 0.000 0.217 543 G C 1.516 176.452 174.900 0.059 0.000 1.158 543 G CA 0.493 45.616 45.100 0.040 0.000 0.771 543 G HN 0.123 nan 8.290 nan 0.000 0.545 544 L N 0.047 121.285 121.223 0.026 0.000 2.017 544 L HA -0.009 4.340 4.340 0.015 0.000 0.208 544 L C 2.871 179.801 176.870 0.100 0.000 1.073 544 L CA 0.733 55.598 54.840 0.041 0.000 0.745 544 L CB -0.373 41.680 42.059 -0.011 0.000 0.894 544 L HN 0.183 nan 8.230 nan 0.000 0.432 545 I N 0.067 120.667 120.570 0.049 0.000 2.226 545 I HA -0.295 3.884 4.170 0.015 0.000 0.245 545 I C 2.158 178.317 176.117 0.071 0.000 1.100 545 I CA 1.183 62.510 61.300 0.046 0.000 1.374 545 I CB -0.441 37.569 38.000 0.017 0.000 1.057 545 I HN 0.373 nan 8.210 nan 0.000 0.413 546 N N 0.669 119.419 118.700 0.083 0.000 2.244 546 N HA -0.194 4.555 4.740 0.015 0.000 0.183 546 N C 1.739 177.310 175.510 0.102 0.000 1.016 546 N CA 1.210 54.306 53.050 0.077 0.000 0.866 546 N CB -0.473 38.058 38.487 0.073 0.000 0.980 546 N HN 0.305 nan 8.380 nan 0.000 0.430 547 F N 1.628 121.575 119.950 -0.004 0.000 2.146 547 F HA 0.037 4.563 4.527 -0.001 0.000 0.298 547 F C 2.062 177.860 175.800 -0.005 0.000 1.096 547 F CA 0.829 58.826 58.000 -0.004 0.000 1.275 547 F CB -0.194 38.802 39.000 -0.007 0.000 1.008 547 F HN -0.111 nan 8.300 nan 0.000 0.480 548 I N 0.307 120.933 120.570 0.094 0.000 2.226 548 I HA -0.310 3.869 4.170 0.015 0.000 0.245 548 I C 2.295 178.365 176.117 -0.078 0.000 1.100 548 I CA 1.486 62.782 61.300 -0.007 0.000 1.374 548 I CB -0.442 37.595 38.000 0.062 0.000 1.057 548 I HN 0.079 nan 8.210 nan 0.000 0.413 549 K N 0.154 120.529 120.400 -0.042 0.000 2.097 549 K HA -0.240 4.088 4.320 0.015 0.000 0.205 549 K C 2.149 178.698 176.600 -0.085 0.000 1.050 549 K CA 1.277 57.537 56.287 -0.045 0.000 0.938 549 K CB -0.163 32.328 32.500 -0.015 0.000 0.718 549 K HN 0.361 nan 8.250 nan 0.000 0.442 550 Q N 0.617 120.342 119.800 -0.125 0.000 2.016 550 Q HA -0.179 4.170 4.340 0.015 0.000 0.200 550 Q C 1.838 177.704 176.000 -0.224 0.000 0.978 550 Q CA 1.249 56.958 55.803 -0.157 0.000 0.833 550 Q CB 0.212 28.852 28.738 -0.164 0.000 0.895 550 Q HN 0.198 nan 8.270 nan 0.000 0.427 551 Q N 0.184 119.756 119.800 -0.380 0.000 2.436 551 Q HA -0.073 4.276 4.340 0.015 0.000 0.209 551 Q C 1.780 177.663 176.000 -0.196 0.000 0.965 551 Q CA 0.596 56.180 55.803 -0.364 0.000 0.910 551 Q CB -0.150 28.210 28.738 -0.631 0.000 0.980 551 Q HN 0.379 nan 8.270 nan 0.000 0.491 552 R N 1.038 121.450 120.500 -0.147 0.000 2.127 552 R HA -0.149 4.200 4.340 0.015 0.000 0.238 552 R C 1.396 177.656 176.300 -0.067 0.000 1.134 552 R CA 1.271 57.321 56.100 -0.083 0.000 0.975 552 R CB 0.284 30.548 30.300 -0.059 0.000 0.865 552 R HN 0.331 nan 8.270 nan 0.000 0.447 553 E N 0.325 120.481 120.200 -0.075 0.000 2.042 553 E HA 0.033 4.392 4.350 0.015 0.000 0.189 553 E C 0.521 177.089 176.600 -0.054 0.000 0.974 553 E CA 0.352 56.719 56.400 -0.055 0.000 0.806 553 E CB -0.168 29.500 29.700 -0.053 0.000 0.769 553 E HN 0.339 nan 8.360 nan 0.000 0.451 554 A N 1.767 124.544 122.820 -0.072 0.000 2.608 554 A HA 0.084 4.413 4.320 0.015 0.000 0.247 554 A C 0.342 177.902 177.584 -0.040 0.000 0.972 554 A CA 1.399 53.400 52.037 -0.060 0.000 0.838 554 A CB -0.327 18.624 19.000 -0.082 0.000 0.856 554 A HN 0.245 nan 8.150 nan 0.000 0.478 555 K N 0.000 120.383 120.400 -0.028 0.000 2.780 555 K HA 0.000 4.329 4.320 0.015 0.000 0.191 555 K CA 0.000 56.276 56.287 -0.018 0.000 0.838 555 K CB 0.000 32.492 32.500 -0.014 0.000 1.064 555 K HN 0.000 nan 8.250 nan 0.000 0.543