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 2qp2_1_A DATA FIRST_RESID 8 DATA SEQUENCE KSLEQENSER DVEIRDRNYF RKLSLFDDTV IAGAEMIGTS YDVFGKYCNV DATA SEQUENCE GSCMNSLFDE RKINASEDNF KKVTILGKTL KVPYYIDCYS VGDLKYTNAS DATA SEQUENCE GESIESYQSN ISSKSRIKGN YLFFSASLKV DFDTDSLTDF ENAFSRIQYT DATA SEQUENCE YDLYILKSSA EALKEFLKES VKTALDKADT EEDMNDLFNT WGSHFLSGVV DATA SEQUENCE MGGCAQYSSS TNKYTSNLTN SFDVVAAASF AGFIGLSART GNSFMEDIKK DATA SEQUENCE FRSASNIKTH AIGGDLSRFD PFGGATSADQ PSAEEIAAAK KAFEDWKASV DATA SEQUENCE PNAPELVNFA DSNPLTGIWE LCSDRTQKAK LKKHFETVWA PAESAKRRVH DATA SEQUENCE ADYIDEIIIG INNTNTPPEG YIGLKSTKDE NLNSKGNICL FMHKAKYDPN DATA SEQUENCE IDNKDCITEL KFITVRDKSP EGDWVKIPQD IYISPNQYLY LCYLPAKYSA DATA SEQUENCE EKAIKDIQLL CSXXXXSMIL PYGYNDVLDE RGERANATED DNVHYLIYSA DATA SEQUENCE GW 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 8 K HA 0.000 nan 4.320 nan 0.000 0.191 8 K C 0.000 176.606 176.600 0.009 0.000 0.988 8 K CA 0.000 56.293 56.287 0.010 0.000 0.838 8 K CB 0.000 32.505 32.500 0.008 0.000 1.064 9 S N 1.123 116.828 115.700 0.009 0.000 2.377 9 S HA 0.452 4.922 4.470 0.001 0.000 0.223 9 S C 2.565 177.176 174.600 0.018 0.000 1.030 9 S CA 2.459 60.663 58.200 0.007 0.000 0.970 9 S CB -0.692 62.509 63.200 0.002 0.000 0.830 9 S HN 1.438 nan 8.310 nan 0.000 0.473 10 L N 0.872 122.109 121.223 0.025 0.000 2.141 10 L HA 0.065 4.405 4.340 0.001 0.000 0.209 10 L C 2.211 179.103 176.870 0.036 0.000 1.094 10 L CA 2.424 57.285 54.840 0.036 0.000 0.763 10 L CB -1.608 40.471 42.059 0.034 0.000 0.908 10 L HN 0.639 nan 8.230 nan 0.000 0.437 11 E N -0.323 119.893 120.200 0.027 0.000 2.047 11 E HA -0.216 4.134 4.350 0.001 0.000 0.191 11 E C 2.624 179.239 176.600 0.024 0.000 0.987 11 E CA 1.487 57.902 56.400 0.025 0.000 0.799 11 E CB -0.083 29.628 29.700 0.018 0.000 0.752 11 E HN 0.856 nan 8.360 nan 0.000 0.449 12 Q N 1.283 121.093 119.800 0.016 0.000 2.119 12 Q HA -0.202 4.138 4.340 0.001 0.000 0.201 12 Q C 1.815 177.820 176.000 0.008 0.000 0.972 12 Q CA 1.847 57.653 55.803 0.005 0.000 0.847 12 Q CB -0.608 28.124 28.738 -0.009 0.000 0.903 12 Q HN 0.224 nan 8.270 nan 0.000 0.433 13 E N 1.171 121.391 120.200 0.034 0.000 2.038 13 E HA -0.195 4.155 4.350 0.001 0.000 0.195 13 E C 1.773 178.441 176.600 0.114 0.000 1.000 13 E CA 2.090 58.545 56.400 0.091 0.000 0.803 13 E CB -0.561 29.206 29.700 0.113 0.000 0.750 13 E HN 0.811 nan 8.360 nan 0.000 0.448 14 N N -0.526 118.223 118.700 0.082 0.000 2.104 14 N HA -0.176 4.564 4.740 0.001 0.000 0.190 14 N C 1.837 177.389 175.510 0.069 0.000 1.024 14 N CA 1.129 54.225 53.050 0.077 0.000 0.853 14 N CB -0.259 38.261 38.487 0.056 0.000 1.008 14 N HN 0.121 nan 8.380 nan 0.000 0.424 15 S N 0.791 116.520 115.700 0.049 0.000 2.356 15 S HA -0.137 4.334 4.470 0.001 0.000 0.223 15 S C 1.745 176.371 174.600 0.043 0.000 1.032 15 S CA 1.062 59.285 58.200 0.038 0.000 1.005 15 S CB -0.124 63.090 63.200 0.022 0.000 0.867 15 S HN 0.215 nan 8.310 nan 0.000 0.449 16 E N 0.943 121.163 120.200 0.034 0.000 2.077 16 E HA -0.052 4.298 4.350 0.001 0.000 0.193 16 E C 2.393 179.065 176.600 0.119 0.000 0.989 16 E CA 0.726 57.141 56.400 0.024 0.000 0.800 16 E CB -0.308 29.308 29.700 -0.139 0.000 0.746 16 E HN 0.329 nan 8.360 nan 0.000 0.452 17 R N 1.093 121.701 120.500 0.181 0.000 2.096 17 R HA -0.100 4.241 4.340 0.001 0.000 0.235 17 R C 1.761 178.137 176.300 0.127 0.000 1.127 17 R CA 0.892 57.104 56.100 0.187 0.000 0.968 17 R CB -0.666 29.740 30.300 0.175 0.000 0.861 17 R HN 0.218 nan 8.270 nan 0.000 0.440 18 D N 0.093 120.551 120.400 0.097 0.000 2.097 18 D HA -0.111 4.530 4.640 0.001 0.000 0.195 18 D C 2.017 178.362 176.300 0.075 0.000 0.989 18 D CA 0.942 54.987 54.000 0.075 0.000 0.827 18 D CB -0.148 40.685 40.800 0.056 0.000 0.966 18 D HN -0.042 nan 8.370 nan 0.000 0.456 19 V N 0.985 120.944 119.914 0.074 0.000 2.261 19 V HA -0.236 3.884 4.120 0.001 0.000 0.246 19 V C 2.278 178.435 176.094 0.105 0.000 1.047 19 V CA 1.763 64.107 62.300 0.073 0.000 1.015 19 V CB -0.473 31.387 31.823 0.062 0.000 0.642 19 V HN 0.177 nan 8.190 nan 0.000 0.446 20 E N -0.290 119.985 120.200 0.126 0.000 2.085 20 E HA -0.205 4.145 4.350 0.001 0.000 0.194 20 E C 2.156 178.841 176.600 0.142 0.000 0.994 20 E CA 1.439 57.927 56.400 0.147 0.000 0.801 20 E CB -0.103 29.702 29.700 0.175 0.000 0.743 20 E HN 0.438 nan 8.360 nan 0.000 0.453 21 I N 0.497 121.143 120.570 0.127 0.000 2.235 21 I HA -0.149 4.021 4.170 0.001 0.000 0.241 21 I C 2.263 178.451 176.117 0.119 0.000 1.085 21 I CA 1.236 62.606 61.300 0.117 0.000 1.378 21 I CB -0.829 37.230 38.000 0.099 0.000 1.076 21 I HN 0.066 nan 8.210 nan 0.000 0.415 22 R N 0.617 121.180 120.500 0.104 0.000 2.075 22 R HA -0.155 4.185 4.340 0.001 0.000 0.232 22 R C 1.817 178.193 176.300 0.127 0.000 1.126 22 R CA 1.392 57.550 56.100 0.096 0.000 0.963 22 R CB -0.171 30.166 30.300 0.062 0.000 0.858 22 R HN 0.333 nan 8.270 nan 0.000 0.435 23 D N -0.080 120.404 120.400 0.139 0.000 2.183 23 D HA -0.107 4.533 4.640 0.001 0.000 0.203 23 D C 1.863 178.387 176.300 0.373 0.000 0.969 23 D CA 0.578 54.705 54.000 0.213 0.000 0.842 23 D CB -0.105 40.826 40.800 0.219 0.000 0.957 23 D HN 0.026 nan 8.370 nan 0.000 0.484 24 R N 1.155 121.824 120.500 0.282 0.000 2.080 24 R HA -0.121 4.219 4.340 0.001 0.000 0.236 24 R C 1.476 177.928 176.300 0.253 0.000 1.137 24 R CA 1.159 57.422 56.100 0.272 0.000 0.943 24 R CB -0.464 29.948 30.300 0.186 0.000 0.846 24 R HN 0.138 nan 8.270 nan 0.000 0.431 25 N N 0.195 119.009 118.700 0.190 0.000 2.120 25 N HA -0.205 4.536 4.740 0.001 0.000 0.188 25 N C 1.626 177.217 175.510 0.134 0.000 1.024 25 N CA 1.368 54.503 53.050 0.143 0.000 0.852 25 N CB -0.765 37.787 38.487 0.108 0.000 1.003 25 N HN 0.332 nan 8.380 nan 0.000 0.424 26 Y N 0.666 120.967 120.300 0.002 0.000 2.070 26 Y HA -0.230 4.320 4.550 0.001 0.000 0.280 26 Y C 1.948 177.755 175.900 -0.155 0.000 1.148 26 Y CA 1.729 59.747 58.100 -0.138 0.000 1.125 26 Y CB -0.601 37.684 38.460 -0.293 0.000 0.975 26 Y HN -0.089 nan 8.280 nan 0.000 0.492 27 F N -0.159 119.912 119.950 0.201 0.000 2.234 27 F HA -0.086 4.442 4.527 0.001 0.000 0.299 27 F C 2.550 178.372 175.800 0.036 0.000 1.087 27 F CA 1.532 59.593 58.000 0.102 0.000 1.340 27 F CB -0.572 38.561 39.000 0.221 0.000 1.031 27 F HN -0.030 nan 8.300 nan 0.000 0.500 28 R N 1.224 121.862 120.500 0.230 0.000 2.066 28 R HA -0.151 4.189 4.340 0.001 0.000 0.232 28 R C 2.135 178.462 176.300 0.044 0.000 1.131 28 R CA 1.768 57.964 56.100 0.160 0.000 0.955 28 R CB -0.550 29.849 30.300 0.165 0.000 0.851 28 R HN 0.213 nan 8.270 nan 0.000 0.432 29 K N -0.420 119.969 120.400 -0.018 0.000 2.063 29 K HA -0.123 4.197 4.320 0.001 0.000 0.208 29 K C 1.739 178.255 176.600 -0.140 0.000 1.048 29 K CA 1.580 57.821 56.287 -0.076 0.000 0.928 29 K CB -0.186 32.253 32.500 -0.101 0.000 0.713 29 K HN 0.132 nan 8.250 nan 0.000 0.442 30 L N 1.100 122.180 121.223 -0.238 0.000 2.201 30 L HA -0.091 4.249 4.340 0.001 0.000 0.212 30 L C 2.347 179.120 176.870 -0.162 0.000 1.105 30 L CA 1.640 56.326 54.840 -0.257 0.000 0.775 30 L CB -0.501 41.298 42.059 -0.434 0.000 0.913 30 L HN 0.340 nan 8.230 nan 0.000 0.440 31 S N -1.118 114.499 115.700 -0.139 0.000 2.474 31 S HA -0.114 4.356 4.470 0.001 0.000 0.235 31 S C 1.439 175.803 174.600 -0.394 0.000 0.997 31 S CA 0.499 58.535 58.200 -0.273 0.000 0.949 31 S CB -0.353 62.575 63.200 -0.454 0.000 0.766 31 S HN 0.366 nan 8.310 nan 0.000 0.517 32 L N -1.089 120.023 121.223 -0.184 0.000 4.813 32 L HA -0.177 4.163 4.340 0.001 0.000 0.434 32 L C -0.564 176.333 176.870 0.044 0.000 1.106 32 L CA 0.033 54.833 54.840 -0.067 0.000 0.991 32 L CB -2.475 39.564 42.059 -0.033 0.000 2.005 32 L HN 0.307 nan 8.230 nan 0.000 0.817 33 F N 2.351 122.342 119.950 0.069 0.000 2.578 33 F HA 0.163 4.690 4.527 0.001 0.000 0.376 33 F C 1.383 177.167 175.800 -0.026 0.000 1.085 33 F CA -0.521 57.497 58.000 0.030 0.000 1.260 33 F CB 0.077 39.107 39.000 0.050 0.000 1.095 33 F HN 0.144 nan 8.300 nan 0.000 0.573 34 D N 1.061 121.526 120.400 0.108 0.000 2.398 34 D HA 0.015 4.655 4.640 0.001 0.000 0.247 34 D C 0.534 176.825 176.300 -0.015 0.000 1.227 34 D CA -0.349 53.654 54.000 0.005 0.000 0.980 34 D CB 0.513 41.274 40.800 -0.066 0.000 1.106 34 D HN 0.362 nan 8.370 nan 0.000 0.493 35 D N -1.145 119.239 120.400 -0.027 0.000 2.309 35 D HA -0.105 4.535 4.640 0.001 0.000 0.212 35 D C 1.690 177.952 176.300 -0.063 0.000 0.968 35 D CA 1.592 55.575 54.000 -0.027 0.000 0.882 35 D CB -0.482 40.305 40.800 -0.023 0.000 0.918 35 D HN 0.679 nan 8.370 nan 0.000 0.503 36 T N -2.311 112.179 114.554 -0.106 0.000 3.113 36 T HA 0.070 4.420 4.350 0.001 0.000 0.256 36 T C 0.935 175.528 174.700 -0.178 0.000 1.131 36 T CA -0.174 61.842 62.100 -0.140 0.000 1.074 36 T CB -0.042 68.729 68.868 -0.163 0.000 0.944 36 T HN -0.190 nan 8.240 nan 0.000 0.516 37 V N 2.616 122.419 119.914 -0.186 0.000 2.488 37 V HA 0.303 4.424 4.120 0.001 0.000 0.277 37 V C 0.793 176.796 176.094 -0.152 0.000 1.046 37 V CA -1.247 60.915 62.300 -0.230 0.000 0.986 37 V CB 0.625 32.261 31.823 -0.311 0.000 0.989 37 V HN 0.535 nan 8.190 nan 0.000 0.475 38 I N 4.522 124.985 120.570 -0.178 0.000 2.845 38 I HA 0.123 4.293 4.170 0.001 0.000 0.296 38 I C 1.145 177.247 176.117 -0.025 0.000 1.216 38 I CA 0.191 61.404 61.300 -0.145 0.000 1.438 38 I CB 0.547 38.402 38.000 -0.243 0.000 1.342 38 I HN 0.843 nan 8.210 nan 0.000 0.577 39 A N 5.380 128.233 122.820 0.054 0.000 2.540 39 A HA 0.390 4.711 4.320 0.001 0.000 0.239 39 A C 1.291 178.995 177.584 0.200 0.000 1.061 39 A CA 0.503 52.624 52.037 0.140 0.000 0.758 39 A CB -0.265 18.826 19.000 0.152 0.000 0.991 39 A HN 1.588 nan 8.150 nan 0.000 0.502 40 G N 0.765 109.669 108.800 0.173 0.000 2.199 40 G HA2 -0.034 3.926 3.960 0.001 0.000 0.254 40 G HA3 -0.034 3.926 3.960 0.001 0.000 0.254 40 G C 1.271 176.273 174.900 0.169 0.000 0.982 40 G CA 1.132 46.329 45.100 0.161 0.000 0.632 40 G HN 2.007 nan 8.290 nan 0.000 0.529 41 A N 1.120 124.026 122.820 0.144 0.000 1.948 41 A HA -0.044 4.276 4.320 0.001 0.000 0.220 41 A C 2.144 179.866 177.584 0.230 0.000 1.177 41 A CA 2.391 54.467 52.037 0.066 0.000 0.636 41 A CB -0.400 18.479 19.000 -0.201 0.000 0.815 41 A HN 1.081 nan 8.150 nan 0.000 0.449 42 E N -0.377 120.082 120.200 0.432 0.000 2.409 42 E HA -0.149 4.201 4.350 0.001 0.000 0.198 42 E C 1.579 178.438 176.600 0.431 0.000 1.024 42 E CA 0.894 57.602 56.400 0.514 0.000 0.861 42 E CB -0.476 29.516 29.700 0.487 0.000 0.788 42 E HN 0.543 nan 8.360 nan 0.000 0.521 43 M N 0.684 120.449 119.600 0.274 0.000 2.254 43 M HA 0.058 4.538 4.480 0.001 0.000 0.265 43 M C 1.008 177.450 176.300 0.237 0.000 1.066 43 M CA 0.473 55.886 55.300 0.188 0.000 1.123 43 M CB -0.354 32.314 32.600 0.113 0.000 1.388 43 M HN 0.006 nan 8.290 nan 0.000 0.425 44 I N 1.177 121.899 120.570 0.254 0.000 2.598 44 I HA 0.100 4.270 4.170 0.001 0.000 0.284 44 I C 1.475 177.801 176.117 0.349 0.000 1.140 44 I CA 0.666 62.134 61.300 0.280 0.000 1.420 44 I CB -0.425 37.729 38.000 0.256 0.000 1.387 44 I HN 0.634 nan 8.210 nan 0.000 0.553 45 G N 4.617 113.621 108.800 0.341 0.000 2.159 45 G HA2 -0.230 3.731 3.960 0.001 0.000 0.256 45 G HA3 -0.230 3.731 3.960 0.001 0.000 0.256 45 G C 0.422 175.452 174.900 0.216 0.000 0.977 45 G CA 0.073 45.271 45.100 0.164 0.000 0.652 45 G HN 0.569 nan 8.290 nan 0.000 0.531 46 T N 1.761 116.485 114.554 0.283 0.000 2.767 46 T HA 0.584 4.935 4.350 0.001 0.000 0.288 46 T C 0.846 175.677 174.700 0.218 0.000 0.963 46 T CA 0.364 62.561 62.100 0.162 0.000 1.019 46 T CB 1.407 70.300 68.868 0.041 0.000 0.923 46 T HN 1.030 nan 8.240 nan 0.000 0.468 47 S N 3.196 119.023 115.700 0.211 0.000 2.584 47 S HA 0.426 4.896 4.470 0.001 0.000 0.270 47 S C -0.785 173.980 174.600 0.275 0.000 1.346 47 S CA -0.592 57.771 58.200 0.272 0.000 1.018 47 S CB 0.351 63.713 63.200 0.269 0.000 0.899 47 S HN 0.686 nan 8.310 nan 0.000 0.542 48 Y N 0.157 120.542 120.300 0.140 0.000 2.457 48 Y HA 0.353 4.903 4.550 0.001 0.000 0.343 48 Y C -0.933 175.062 175.900 0.159 0.000 0.994 48 Y CA -0.947 57.232 58.100 0.131 0.000 1.031 48 Y CB 1.755 40.288 38.460 0.121 0.000 1.246 48 Y HN 0.836 nan 8.280 nan 0.000 0.449 49 D N 4.179 124.479 120.400 -0.167 0.000 2.359 49 D HA 0.075 4.715 4.640 0.001 0.000 0.250 49 D C 1.061 177.460 176.300 0.164 0.000 1.264 49 D CA 0.113 54.151 54.000 0.064 0.000 0.911 49 D CB 0.993 41.816 40.800 0.038 0.000 1.056 49 D HN 0.481 nan 8.370 nan 0.000 0.499 50 V N 1.955 121.981 119.914 0.186 0.000 3.078 50 V HA -0.042 4.078 4.120 0.001 0.000 0.265 50 V C 1.225 177.145 176.094 -0.290 0.000 1.122 50 V CA 0.982 63.192 62.300 -0.150 0.000 1.141 50 V CB -1.117 30.292 31.823 -0.690 0.000 0.735 50 V HN 0.346 nan 8.190 nan 0.000 0.498 51 F N 1.463 121.547 119.950 0.224 0.000 2.664 51 F HA 0.632 5.160 4.527 0.001 0.000 0.303 51 F C 1.870 177.801 175.800 0.218 0.000 1.092 51 F CA 0.117 58.237 58.000 0.198 0.000 1.305 51 F CB -0.181 38.895 39.000 0.127 0.000 1.054 51 F HN 0.266 nan 8.300 nan 0.000 0.565 52 G N 0.219 109.233 108.800 0.357 0.000 2.783 52 G HA2 0.218 4.178 3.960 0.001 0.000 0.182 52 G HA3 0.218 4.178 3.960 0.001 0.000 0.182 52 G C -0.101 175.031 174.900 0.386 0.000 1.516 52 G CA -0.591 44.676 45.100 0.279 0.000 1.079 52 G HN 0.030 nan 8.290 nan 0.000 0.573 53 K N -0.881 119.706 120.400 0.311 0.000 2.168 53 K HA 0.231 4.551 4.320 0.001 0.000 0.258 53 K C -0.899 175.967 176.600 0.444 0.000 1.010 53 K CA -0.366 56.121 56.287 0.334 0.000 0.929 53 K CB 1.014 33.638 32.500 0.206 0.000 0.998 53 K HN 0.398 nan 8.250 nan 0.000 0.479 54 Y N 1.237 121.640 120.300 0.173 0.000 2.544 54 Y HA -0.074 4.477 4.550 0.001 0.000 0.330 54 Y C 0.295 176.091 175.900 -0.174 0.000 1.136 54 Y CA -0.362 57.644 58.100 -0.156 0.000 1.417 54 Y CB 0.330 38.683 38.460 -0.178 0.000 1.229 54 Y HN 0.720 nan 8.280 nan 0.000 0.532 55 C N 7.671 126.321 119.300 -1.083 0.000 2.094 55 C HA -0.248 4.213 4.460 0.001 0.000 0.178 55 C C -0.220 174.559 174.990 -0.351 0.000 1.274 55 C CA 0.972 59.296 59.018 -1.157 0.000 2.865 55 C CB -2.618 23.865 27.740 -2.095 0.000 1.777 55 C HN 0.873 nan 8.230 nan 0.000 0.223 56 N N 2.842 121.567 118.700 0.041 0.000 2.369 56 N HA 0.195 4.935 4.740 0.001 0.000 0.287 56 N C 0.286 175.907 175.510 0.186 0.000 1.067 56 N CA -0.089 53.024 53.050 0.106 0.000 0.888 56 N CB 2.012 40.575 38.487 0.126 0.000 1.616 56 N HN 0.352 nan 8.380 nan 0.000 0.482 57 V N 3.795 123.792 119.914 0.138 0.000 2.568 57 V HA -0.106 4.014 4.120 0.001 0.000 0.253 57 V C 2.001 178.193 176.094 0.164 0.000 1.072 57 V CA 2.714 65.103 62.300 0.148 0.000 1.084 57 V CB -0.570 31.357 31.823 0.174 0.000 0.676 57 V HN 0.817 nan 8.190 nan 0.000 0.469 58 G N -1.223 107.659 108.800 0.136 0.000 2.470 58 G HA2 -0.181 3.780 3.960 0.001 0.000 0.220 58 G HA3 -0.181 3.780 3.960 0.001 0.000 0.220 58 G C 1.569 176.494 174.900 0.041 0.000 1.121 58 G CA 1.039 46.201 45.100 0.103 0.000 0.766 58 G HN 0.570 nan 8.290 nan 0.000 0.553 59 S N -0.754 114.914 115.700 -0.053 0.000 2.540 59 S HA 0.158 4.628 4.470 0.001 0.000 0.218 59 S C 0.890 175.186 174.600 -0.507 0.000 0.977 59 S CA -0.663 57.355 58.200 -0.303 0.000 0.918 59 S CB 0.019 62.940 63.200 -0.466 0.000 0.806 59 S HN 0.363 nan 8.310 nan 0.000 0.496 60 C N 1.874 121.054 119.300 -0.199 0.000 2.679 60 C HA 0.248 4.709 4.460 0.001 0.000 0.417 60 C C 1.678 176.703 174.990 0.060 0.000 1.302 60 C CA 0.050 58.996 59.018 -0.121 0.000 1.973 60 C CB -0.304 27.180 27.740 -0.428 0.000 2.715 60 C HN 0.546 nan 8.230 nan 0.000 0.628 61 M N 1.641 121.308 119.600 0.112 0.000 3.207 61 M HA 0.197 4.677 4.480 0.001 0.000 0.202 61 M C 0.090 176.594 176.300 0.339 0.000 1.730 61 M CA 0.652 56.079 55.300 0.213 0.000 1.461 61 M CB 0.017 32.710 32.600 0.155 0.000 1.013 61 M HN 0.625 nan 8.290 nan 0.000 0.592 62 N N 0.428 119.298 118.700 0.283 0.000 2.295 62 N HA 0.307 5.047 4.740 0.001 0.000 0.293 62 N C -1.564 174.074 175.510 0.214 0.000 1.040 62 N CA -0.202 53.032 53.050 0.308 0.000 0.840 62 N CB 2.154 40.834 38.487 0.322 0.000 1.468 62 N HN 0.023 nan 8.380 nan 0.000 0.478 63 S N 1.735 117.509 115.700 0.124 0.000 2.510 63 S HA 0.195 4.666 4.470 0.001 0.000 0.279 63 S C 1.704 176.118 174.600 -0.310 0.000 1.284 63 S CA -0.343 57.704 58.200 -0.254 0.000 1.059 63 S CB 0.454 63.278 63.200 -0.627 0.000 0.901 63 S HN 0.392 nan 8.310 nan 0.000 0.491 64 L N 2.547 123.590 121.223 -0.299 0.000 2.554 64 L HA 0.241 4.581 4.340 0.001 0.000 0.225 64 L C 0.436 177.166 176.870 -0.234 0.000 1.104 64 L CA 0.016 54.718 54.840 -0.230 0.000 0.866 64 L CB -0.223 41.687 42.059 -0.248 0.000 1.047 64 L HN 0.634 nan 8.230 nan 0.000 0.468 65 F N -1.215 118.671 119.950 -0.107 0.000 2.382 65 F HA 0.357 4.884 4.527 0.001 0.000 0.331 65 F C 0.360 176.140 175.800 -0.034 0.000 1.121 65 F CA -1.290 56.651 58.000 -0.098 0.000 1.183 65 F CB 0.096 39.031 39.000 -0.110 0.000 1.207 65 F HN -0.218 nan 8.300 nan 0.000 0.555 66 D N 2.424 122.951 120.400 0.210 0.000 2.393 66 D HA 0.203 4.843 4.640 0.001 0.000 0.232 66 D C 1.159 177.600 176.300 0.235 0.000 1.192 66 D CA 0.499 54.586 54.000 0.146 0.000 0.882 66 D CB 1.114 41.983 40.800 0.115 0.000 1.038 66 D HN 0.865 nan 8.370 nan 0.000 0.499 67 E N 3.431 123.754 120.200 0.204 0.000 2.118 67 E HA -0.281 4.070 4.350 0.001 0.000 0.195 67 E C 2.144 178.815 176.600 0.118 0.000 0.992 67 E CA 2.206 58.713 56.400 0.179 0.000 0.804 67 E CB -0.837 28.895 29.700 0.053 0.000 0.741 67 E HN 0.608 nan 8.360 nan 0.000 0.458 68 R N 0.830 121.386 120.500 0.093 0.000 2.081 68 R HA -0.019 4.321 4.340 0.001 0.000 0.235 68 R C 2.382 178.751 176.300 0.116 0.000 1.131 68 R CA 2.128 58.281 56.100 0.087 0.000 0.960 68 R CB -0.925 29.413 30.300 0.062 0.000 0.856 68 R HN 0.592 nan 8.270 nan 0.000 0.436 69 K N -0.104 120.382 120.400 0.143 0.000 2.025 69 K HA -0.004 4.317 4.320 0.001 0.000 0.207 69 K C 2.212 178.931 176.600 0.200 0.000 1.049 69 K CA 1.591 57.994 56.287 0.194 0.000 0.933 69 K CB -0.292 32.361 32.500 0.255 0.000 0.714 69 K HN 0.452 nan 8.250 nan 0.000 0.438 70 I N 1.504 122.134 120.570 0.100 0.000 2.142 70 I HA -0.289 3.881 4.170 0.001 0.000 0.240 70 I C 1.707 177.844 176.117 0.034 0.000 1.078 70 I CA 1.136 62.324 61.300 -0.187 0.000 1.343 70 I CB -0.359 37.482 38.000 -0.266 0.000 1.046 70 I HN 0.199 nan 8.210 nan 0.000 0.405 71 N N 1.095 119.927 118.700 0.220 0.000 2.521 71 N HA 0.006 4.746 4.740 0.001 0.000 0.188 71 N C 1.700 177.344 175.510 0.224 0.000 1.146 71 N CA 0.909 54.157 53.050 0.330 0.000 0.893 71 N CB 0.100 38.745 38.487 0.263 0.000 0.975 71 N HN 0.341 nan 8.380 nan 0.000 0.451 72 A N -0.038 122.885 122.820 0.172 0.000 2.067 72 A HA 0.007 4.327 4.320 0.001 0.000 0.219 72 A C 1.191 178.858 177.584 0.138 0.000 1.158 72 A CA 0.730 52.848 52.037 0.134 0.000 0.661 72 A CB 0.126 19.198 19.000 0.120 0.000 0.801 72 A HN 0.176 nan 8.150 nan 0.000 0.452 73 S N -1.912 113.895 115.700 0.179 0.000 2.548 73 S HA 0.416 4.887 4.470 0.001 0.000 0.276 73 S C 0.221 174.973 174.600 0.254 0.000 1.129 73 S CA -0.347 57.957 58.200 0.174 0.000 0.931 73 S CB 1.723 65.015 63.200 0.155 0.000 1.068 73 S HN 0.229 nan 8.310 nan 0.000 0.480 74 E N 2.438 122.756 120.200 0.197 0.000 2.265 74 E HA -0.085 4.266 4.350 0.001 0.000 0.196 74 E C 0.765 177.519 176.600 0.256 0.000 0.996 74 E CA 1.629 58.157 56.400 0.213 0.000 0.832 74 E CB -0.004 29.743 29.700 0.078 0.000 0.756 74 E HN 0.668 nan 8.360 nan 0.000 0.491 75 D N -0.047 120.474 120.400 0.201 0.000 2.350 75 D HA -0.077 4.564 4.640 0.001 0.000 0.216 75 D C 0.702 177.167 176.300 0.276 0.000 0.968 75 D CA 0.409 54.527 54.000 0.197 0.000 0.894 75 D CB -0.158 40.738 40.800 0.159 0.000 0.909 75 D HN 0.194 nan 8.370 nan 0.000 0.520 76 N N -0.210 118.593 118.700 0.172 0.000 2.461 76 N HA 0.003 4.743 4.740 0.001 0.000 0.188 76 N C -0.368 174.796 175.510 -0.577 0.000 1.134 76 N CA 0.212 53.139 53.050 -0.205 0.000 0.878 76 N CB 0.205 38.387 38.487 -0.507 0.000 0.972 76 N HN 0.142 nan 8.380 nan 0.000 0.456 77 F N 0.552 120.483 119.950 -0.032 0.000 2.546 77 F HA 0.389 4.917 4.527 0.001 0.000 0.320 77 F C 0.470 176.246 175.800 -0.040 0.000 1.076 77 F CA -1.165 56.761 58.000 -0.124 0.000 0.928 77 F CB 1.738 40.633 39.000 -0.175 0.000 1.189 77 F HN -0.238 nan 8.300 nan 0.000 0.465 78 K N 0.030 120.485 120.400 0.092 0.000 2.340 78 K HA 0.697 5.018 4.320 0.001 0.000 0.244 78 K C -1.076 175.511 176.600 -0.022 0.000 0.973 78 K CA -1.071 55.233 56.287 0.029 0.000 0.828 78 K CB 1.833 34.331 32.500 -0.003 0.000 1.226 78 K HN 0.246 nan 8.250 nan 0.000 0.437 79 K N 0.627 121.002 120.400 -0.042 0.000 2.295 79 K HA 0.272 4.593 4.320 0.001 0.000 0.270 79 K C -0.556 175.985 176.600 -0.099 0.000 1.011 79 K CA -0.737 55.507 56.287 -0.071 0.000 0.953 79 K CB 1.262 33.724 32.500 -0.063 0.000 0.956 79 K HN 0.468 nan 8.250 nan 0.000 0.477 80 V N 1.732 121.572 119.914 -0.123 0.000 2.808 80 V HA 0.509 4.630 4.120 0.001 0.000 0.308 80 V C -1.062 174.941 176.094 -0.151 0.000 1.099 80 V CA -0.346 61.864 62.300 -0.149 0.000 0.920 80 V CB 2.788 34.496 31.823 -0.191 0.000 1.014 80 V HN 0.975 nan 8.190 nan 0.000 0.425 81 T N 7.895 122.365 114.554 -0.139 0.000 2.772 81 T HA 0.633 4.983 4.350 0.001 0.000 0.288 81 T C -0.679 173.934 174.700 -0.146 0.000 0.994 81 T CA -0.245 61.778 62.100 -0.128 0.000 0.951 81 T CB 0.661 69.474 68.868 -0.092 0.000 0.933 81 T HN 0.447 nan 8.240 nan 0.000 0.447 82 I N 3.551 124.018 120.570 -0.171 0.000 2.447 82 I HA 0.401 4.571 4.170 0.001 0.000 0.287 82 I C 1.102 177.144 176.117 -0.124 0.000 1.023 82 I CA -0.890 60.302 61.300 -0.179 0.000 1.083 82 I CB 0.472 38.275 38.000 -0.329 0.000 1.245 82 I HN 0.791 nan 8.210 nan 0.000 0.434 83 L N 5.294 126.468 121.223 -0.082 0.000 3.742 83 L HA -0.120 4.221 4.340 0.001 0.000 0.431 83 L C 1.292 178.127 176.870 -0.058 0.000 1.220 83 L CA 1.701 56.506 54.840 -0.059 0.000 0.863 83 L CB -2.773 39.253 42.059 -0.055 0.000 1.751 83 L HN 1.514 nan 8.230 nan 0.000 0.922 84 G N -2.285 106.479 108.800 -0.061 0.000 2.253 84 G HA2 -0.215 3.746 3.960 0.001 0.000 0.251 84 G HA3 -0.215 3.746 3.960 0.001 0.000 0.251 84 G C 0.419 175.280 174.900 -0.065 0.000 0.998 84 G CA 0.476 45.542 45.100 -0.055 0.000 0.621 84 G HN 1.531 nan 8.290 nan 0.000 0.524 85 K N 2.196 122.549 120.400 -0.079 0.000 2.339 85 K HA 0.437 4.758 4.320 0.001 0.000 0.286 85 K C 0.418 176.957 176.600 -0.102 0.000 1.050 85 K CA 0.540 56.774 56.287 -0.088 0.000 0.956 85 K CB 0.752 33.193 32.500 -0.098 0.000 0.990 85 K HN 0.349 nan 8.250 nan 0.000 0.475 86 T N 2.229 116.729 114.554 -0.090 0.000 2.794 86 T HA 0.396 4.747 4.350 0.001 0.000 0.304 86 T C 0.173 174.808 174.700 -0.108 0.000 0.973 86 T CA -0.717 61.326 62.100 -0.095 0.000 0.972 86 T CB -0.115 68.707 68.868 -0.077 0.000 0.952 86 T HN 0.303 nan 8.240 nan 0.000 0.509 87 L N 2.028 123.172 121.223 -0.132 0.000 2.293 87 L HA 0.761 5.102 4.340 0.001 0.000 0.264 87 L C 0.160 176.939 176.870 -0.152 0.000 1.029 87 L CA -1.595 53.156 54.840 -0.148 0.000 0.897 87 L CB 1.579 43.535 42.059 -0.172 0.000 1.497 87 L HN 0.656 nan 8.230 nan 0.000 0.495 88 K N -0.766 119.530 120.400 -0.173 0.000 2.444 88 K HA 0.836 5.156 4.320 0.001 0.000 0.252 88 K C -1.635 174.872 176.600 -0.155 0.000 0.993 88 K CA -0.820 55.378 56.287 -0.149 0.000 0.847 88 K CB 2.639 35.045 32.500 -0.157 0.000 1.340 88 K HN 0.269 nan 8.250 nan 0.000 0.446 89 V N 1.059 120.918 119.914 -0.091 0.000 2.932 89 V HA 0.412 4.532 4.120 0.001 0.000 0.307 89 V C -2.804 173.121 176.094 -0.283 0.000 1.147 89 V CA -2.172 60.005 62.300 -0.206 0.000 0.951 89 V CB 2.381 34.053 31.823 -0.252 0.000 1.031 89 V HN 0.731 nan 8.190 nan 0.000 0.426 90 P HA 0.073 nan 4.420 nan 0.000 0.264 90 P C 0.086 176.828 177.300 -0.929 0.000 1.183 90 P CA 0.385 62.758 63.100 -1.211 0.000 0.763 90 P CB 0.009 30.707 31.700 -1.670 0.000 0.807 91 Y N 1.954 121.870 120.300 -0.639 0.000 2.574 91 Y HA -0.147 4.404 4.550 0.001 0.000 0.294 91 Y C 1.640 177.420 175.900 -0.199 0.000 1.142 91 Y CA 0.205 58.116 58.100 -0.315 0.000 1.314 91 Y CB -1.207 37.165 38.460 -0.146 0.000 0.991 91 Y HN 0.376 nan 8.280 nan 0.000 0.555 92 Y N 0.263 120.549 120.300 -0.023 0.000 2.583 92 Y HA 0.311 4.861 4.550 0.001 0.000 0.293 92 Y C 0.215 176.122 175.900 0.012 0.000 1.157 92 Y CA -0.923 57.215 58.100 0.064 0.000 1.315 92 Y CB -0.575 37.903 38.460 0.030 0.000 1.021 92 Y HN 0.030 nan 8.280 nan 0.000 0.536 93 I N 2.302 122.747 120.570 -0.208 0.000 2.359 93 I HA 0.170 4.340 4.170 0.001 0.000 0.294 93 I C -0.739 175.322 176.117 -0.093 0.000 0.987 93 I CA -0.722 60.517 61.300 -0.103 0.000 1.225 93 I CB 1.015 38.879 38.000 -0.227 0.000 1.366 93 I HN 0.037 nan 8.210 nan 0.000 0.466 94 D N 5.478 125.855 120.400 -0.039 0.000 2.233 94 D HA 0.308 4.948 4.640 0.001 0.000 0.240 94 D C -0.927 175.221 176.300 -0.253 0.000 1.074 94 D CA -0.147 53.749 54.000 -0.172 0.000 0.838 94 D CB 1.651 42.394 40.800 -0.096 0.000 1.124 94 D HN 0.382 nan 8.370 nan 0.000 0.475 95 C N 2.943 122.000 119.300 -0.404 0.000 2.329 95 C HA 0.505 4.966 4.460 0.001 0.000 0.329 95 C C -0.578 174.128 174.990 -0.473 0.000 1.275 95 C CA -0.857 57.993 59.018 -0.280 0.000 1.726 95 C CB -0.729 26.886 27.740 -0.209 0.000 2.291 95 C HN 0.474 nan 8.230 nan 0.000 0.514 96 Y N 1.013 121.339 120.300 0.043 0.000 2.326 96 Y HA 0.371 4.921 4.550 0.001 0.000 0.329 96 Y C 0.564 176.500 175.900 0.061 0.000 0.973 96 Y CA -0.348 57.773 58.100 0.035 0.000 1.162 96 Y CB 1.203 39.683 38.460 0.034 0.000 1.147 96 Y HN 0.626 nan 8.280 nan 0.000 0.456 97 S N 2.020 117.808 115.700 0.148 0.000 2.549 97 S HA 0.279 4.749 4.470 0.001 0.000 0.279 97 S C 0.628 175.297 174.600 0.115 0.000 1.321 97 S CA -0.380 57.888 58.200 0.113 0.000 1.054 97 S CB 1.098 64.323 63.200 0.041 0.000 0.899 97 S HN 0.574 nan 8.310 nan 0.000 0.497 98 V N 1.637 121.607 119.914 0.092 0.000 3.264 98 V HA 0.410 4.530 4.120 0.001 0.000 0.217 98 V C 1.329 177.461 176.094 0.063 0.000 1.236 98 V CA 0.211 62.551 62.300 0.067 0.000 1.287 98 V CB -1.165 30.688 31.823 0.050 0.000 1.241 98 V HN 1.090 nan 8.190 nan 0.000 0.518 99 G N 3.252 112.086 108.800 0.057 0.000 2.314 99 G HA2 -0.174 3.787 3.960 0.001 0.000 0.292 99 G HA3 -0.174 3.787 3.960 0.001 0.000 0.292 99 G C -0.320 174.710 174.900 0.217 0.000 1.059 99 G CA 0.641 45.826 45.100 0.142 0.000 0.982 99 G HN 0.800 nan 8.290 nan 0.000 0.505 100 D N -0.976 119.536 120.400 0.187 0.000 2.552 100 D HA 0.617 5.257 4.640 0.001 0.000 0.239 100 D C -0.135 176.218 176.300 0.088 0.000 1.139 100 D CA -1.126 52.941 54.000 0.111 0.000 0.914 100 D CB 1.072 41.908 40.800 0.060 0.000 1.461 100 D HN 0.181 nan 8.370 nan 0.000 0.462 101 L N 0.251 121.449 121.223 -0.042 0.000 2.289 101 L HA 0.496 4.836 4.340 0.001 0.000 0.285 101 L C 0.406 177.199 176.870 -0.128 0.000 1.049 101 L CA -0.432 54.276 54.840 -0.219 0.000 0.804 101 L CB 1.141 42.927 42.059 -0.456 0.000 1.195 101 L HN 0.324 nan 8.230 nan 0.000 0.428 102 K N 2.295 122.603 120.400 -0.153 0.000 2.498 102 K HA 0.417 4.738 4.320 0.001 0.000 0.254 102 K C -1.641 174.981 176.600 0.037 0.000 0.933 102 K CA -0.769 55.528 56.287 0.016 0.000 0.806 102 K CB 1.879 34.411 32.500 0.052 0.000 1.301 102 K HN 0.234 nan 8.250 nan 0.000 0.432 103 Y N 0.866 121.295 120.300 0.216 0.000 2.304 103 Y HA 0.212 4.762 4.550 0.001 0.000 0.328 103 Y C 0.261 176.217 175.900 0.093 0.000 1.123 103 Y CA 0.241 58.446 58.100 0.174 0.000 1.218 103 Y CB 1.895 40.422 38.460 0.112 0.000 1.207 103 Y HN 0.347 nan 8.280 nan 0.000 0.495 104 T N 4.723 119.413 114.554 0.227 0.000 2.892 104 T HA 0.335 4.686 4.350 0.001 0.000 0.311 104 T C -0.848 173.900 174.700 0.080 0.000 1.033 104 T CA -0.988 61.190 62.100 0.131 0.000 0.991 104 T CB -0.055 68.876 68.868 0.106 0.000 0.981 104 T HN 0.417 nan 8.240 nan 0.000 0.457 105 N N 1.975 120.715 118.700 0.066 0.000 2.314 105 N HA 0.778 5.518 4.740 0.001 0.000 0.304 105 N C -0.885 174.638 175.510 0.022 0.000 1.073 105 N CA -0.632 52.443 53.050 0.041 0.000 0.822 105 N CB 2.030 40.525 38.487 0.013 0.000 1.280 105 N HN 0.697 nan 8.380 nan 0.000 0.489 106 A N 0.515 123.372 122.820 0.063 0.000 2.386 106 A HA 0.836 5.156 4.320 0.001 0.000 0.311 106 A C -0.491 177.250 177.584 0.262 0.000 1.068 106 A CA -0.538 51.537 52.037 0.064 0.000 0.743 106 A CB 0.899 19.861 19.000 -0.062 0.000 1.258 106 A HN 0.724 nan 8.150 nan 0.000 0.429 107 S N 0.080 115.921 115.700 0.235 0.000 2.565 107 S HA 0.899 5.370 4.470 0.001 0.000 0.269 107 S C -0.511 174.376 174.600 0.479 0.000 1.153 107 S CA -0.159 58.313 58.200 0.453 0.000 0.835 107 S CB 1.347 64.623 63.200 0.127 0.000 1.122 107 S HN 2.320 nan 8.310 nan 0.000 0.462 108 G N 0.113 109.343 108.800 0.717 0.000 2.755 108 G HA2 0.508 4.468 3.960 0.001 0.000 0.297 108 G HA3 0.508 4.468 3.960 0.001 0.000 0.297 108 G C -0.340 174.844 174.900 0.474 0.000 1.441 108 G CA -0.763 44.656 45.100 0.531 0.000 0.964 108 G HN 0.656 nan 8.290 nan 0.000 0.540 109 E N -0.272 120.098 120.200 0.283 0.000 2.418 109 E HA 0.022 4.372 4.350 0.001 0.000 0.197 109 E C 1.167 177.756 176.600 -0.018 0.000 1.026 109 E CA 1.014 57.399 56.400 -0.026 0.000 0.862 109 E CB 0.228 29.939 29.700 0.019 0.000 0.799 109 E HN 0.503 nan 8.360 nan 0.000 0.518 110 S N -0.844 114.942 115.700 0.143 0.000 2.651 110 S HA 0.256 4.727 4.470 0.001 0.000 0.279 110 S C 0.513 175.279 174.600 0.277 0.000 1.148 110 S CA -0.844 57.472 58.200 0.192 0.000 0.837 110 S CB 1.366 64.644 63.200 0.130 0.000 1.138 110 S HN -0.038 nan 8.310 nan 0.000 0.478 111 I N 1.392 122.084 120.570 0.203 0.000 2.361 111 I HA -0.027 4.143 4.170 0.001 0.000 0.251 111 I C 2.006 178.117 176.117 -0.010 0.000 1.133 111 I CA 1.736 62.964 61.300 -0.119 0.000 1.413 111 I CB -0.725 37.107 38.000 -0.280 0.000 1.073 111 I HN 0.843 nan 8.210 nan 0.000 0.424 112 E N -0.399 119.824 120.200 0.037 0.000 2.047 112 E HA -0.189 4.161 4.350 0.001 0.000 0.191 112 E C 2.393 179.024 176.600 0.051 0.000 0.987 112 E CA 1.548 57.959 56.400 0.019 0.000 0.799 112 E CB -0.539 29.189 29.700 0.045 0.000 0.752 112 E HN 0.386 nan 8.360 nan 0.000 0.449 113 S N -0.853 114.905 115.700 0.096 0.000 2.382 113 S HA -0.187 4.284 4.470 0.001 0.000 0.228 113 S C 1.873 176.552 174.600 0.131 0.000 1.027 113 S CA 0.979 59.243 58.200 0.106 0.000 0.991 113 S CB -0.338 62.942 63.200 0.133 0.000 0.823 113 S HN 0.422 nan 8.310 nan 0.000 0.469 114 Y N 1.777 122.126 120.300 0.081 0.000 2.163 114 Y HA -0.105 4.445 4.550 0.001 0.000 0.288 114 Y C 2.474 178.417 175.900 0.072 0.000 1.136 114 Y CA 2.101 60.259 58.100 0.097 0.000 1.147 114 Y CB -0.565 37.931 38.460 0.060 0.000 0.987 114 Y HN 0.307 nan 8.280 nan 0.000 0.509 115 Q N -0.563 119.292 119.800 0.092 0.000 2.112 115 Q HA -0.215 4.126 4.340 0.001 0.000 0.206 115 Q C 2.435 178.416 176.000 -0.032 0.000 0.987 115 Q CA 1.992 57.816 55.803 0.035 0.000 0.858 115 Q CB -0.249 28.517 28.738 0.047 0.000 0.905 115 Q HN 0.429 nan 8.270 nan 0.000 0.420 116 S N 0.553 116.235 115.700 -0.030 0.000 2.383 116 S HA -0.124 4.347 4.470 0.001 0.000 0.227 116 S C 1.594 176.176 174.600 -0.030 0.000 1.026 116 S CA 0.873 59.053 58.200 -0.033 0.000 0.981 116 S CB -0.260 62.925 63.200 -0.024 0.000 0.818 116 S HN 0.403 nan 8.310 nan 0.000 0.472 117 N N 0.927 119.584 118.700 -0.071 0.000 2.106 117 N HA -0.086 4.655 4.740 0.001 0.000 0.188 117 N C 1.901 177.365 175.510 -0.075 0.000 1.029 117 N CA 1.174 54.182 53.050 -0.071 0.000 0.848 117 N CB -0.167 38.273 38.487 -0.079 0.000 1.007 117 N HN 0.294 nan 8.380 nan 0.000 0.423 118 I N 0.953 121.399 120.570 -0.208 0.000 2.286 118 I HA -0.205 3.965 4.170 0.001 0.000 0.248 118 I C 2.509 178.810 176.117 0.307 0.000 1.115 118 I CA 1.075 62.351 61.300 -0.039 0.000 1.392 118 I CB -0.505 37.414 38.000 -0.134 0.000 1.065 118 I HN 0.059 nan 8.210 nan 0.000 0.418 119 S N -0.231 115.603 115.700 0.224 0.000 2.382 119 S HA -0.205 4.265 4.470 0.001 0.000 0.228 119 S C 2.328 177.108 174.600 0.300 0.000 1.027 119 S CA 1.779 60.133 58.200 0.257 0.000 0.991 119 S CB -0.688 62.537 63.200 0.042 0.000 0.823 119 S HN 0.753 nan 8.310 nan 0.000 0.469 120 S N 1.011 116.825 115.700 0.190 0.000 2.440 120 S HA -0.036 4.435 4.470 0.001 0.000 0.238 120 S C 1.669 176.391 174.600 0.203 0.000 1.010 120 S CA 0.693 58.992 58.200 0.165 0.000 0.972 120 S CB -0.467 62.788 63.200 0.091 0.000 0.774 120 S HN 0.435 nan 8.310 nan 0.000 0.501 121 K N 1.971 122.543 120.400 0.286 0.000 2.360 121 K HA 0.007 4.327 4.320 0.001 0.000 0.201 121 K C 2.410 179.182 176.600 0.287 0.000 1.046 121 K CA 1.115 57.591 56.287 0.315 0.000 0.945 121 K CB -0.691 32.055 32.500 0.409 0.000 0.750 121 K HN 0.750 nan 8.250 nan 0.000 0.464 122 S N 0.690 116.589 115.700 0.331 0.000 2.447 122 S HA -0.096 4.375 4.470 0.001 0.000 0.233 122 S C 0.785 175.296 174.600 -0.149 0.000 1.006 122 S CA 0.287 58.485 58.200 -0.003 0.000 0.957 122 S CB -0.269 62.810 63.200 -0.201 0.000 0.773 122 S HN 0.328 nan 8.310 nan 0.000 0.507 123 R N -0.161 120.338 120.500 -0.001 0.000 3.863 123 R HA -0.118 4.222 4.340 0.001 0.000 0.313 123 R C -0.926 175.370 176.300 -0.006 0.000 1.202 123 R CA 1.021 57.120 56.100 -0.001 0.000 0.852 123 R CB -2.407 27.875 30.300 -0.031 0.000 1.292 123 R HN 0.543 nan 8.270 nan 0.000 0.519 124 I N 1.515 122.094 120.570 0.016 0.000 2.315 124 I HA 0.206 4.377 4.170 0.001 0.000 0.291 124 I C 1.124 177.425 176.117 0.306 0.000 1.006 124 I CA -0.227 61.138 61.300 0.109 0.000 1.265 124 I CB 1.161 39.123 38.000 -0.062 0.000 1.387 124 I HN 0.115 nan 8.210 nan 0.000 0.475 125 K N 4.922 125.489 120.400 0.278 0.000 2.448 125 K HA 0.610 4.930 4.320 0.001 0.000 0.278 125 K C 0.443 177.230 176.600 0.311 0.000 1.009 125 K CA 0.413 56.844 56.287 0.239 0.000 0.995 125 K CB 0.159 32.768 32.500 0.182 0.000 0.917 125 K HN 1.130 nan 8.250 nan 0.000 0.481 126 G N 0.717 109.574 108.800 0.096 0.000 2.355 126 G HA2 0.037 3.997 3.960 0.001 0.000 0.619 126 G HA3 0.037 3.997 3.960 0.001 0.000 0.619 126 G C -1.335 173.299 174.900 -0.443 0.000 1.337 126 G CA -0.688 44.274 45.100 -0.229 0.000 0.993 126 G HN 0.765 nan 8.290 nan 0.000 0.599 127 N N 0.892 119.152 118.700 -0.732 0.000 2.801 127 N HA 0.514 5.254 4.740 0.001 0.000 0.235 127 N C -0.822 174.279 175.510 -0.682 0.000 1.069 127 N CA 0.082 52.819 53.050 -0.521 0.000 0.946 127 N CB 0.362 38.662 38.487 -0.311 0.000 1.212 127 N HN 0.475 nan 8.380 nan 0.000 0.509 128 Y N -0.319 119.789 120.300 -0.319 0.000 2.753 128 Y HA 0.516 5.066 4.550 0.001 0.000 0.324 128 Y C 0.699 176.305 175.900 -0.489 0.000 1.147 128 Y CA -1.157 56.614 58.100 -0.548 0.000 1.173 128 Y CB 1.802 39.535 38.460 -1.213 0.000 1.361 128 Y HN 0.041 nan 8.280 nan 0.000 0.545 129 L N 2.054 123.134 121.223 -0.238 0.000 2.892 129 L HA 0.325 4.665 4.340 0.001 0.000 0.251 129 L C -1.307 175.552 176.870 -0.017 0.000 1.339 129 L CA -0.296 54.499 54.840 -0.075 0.000 0.900 129 L CB -0.342 41.739 42.059 0.037 0.000 1.246 129 L HN 0.348 nan 8.230 nan 0.000 0.524 130 F N 0.419 120.279 119.950 -0.150 0.000 2.496 130 F HA 0.186 4.713 4.527 0.001 0.000 0.344 130 F C 0.986 176.586 175.800 -0.334 0.000 1.155 130 F CA -0.252 57.386 58.000 -0.604 0.000 1.302 130 F CB -0.084 38.268 39.000 -1.080 0.000 1.159 130 F HN 0.171 nan 8.300 nan 0.000 0.595 131 F N -0.713 119.447 119.950 0.349 0.000 3.018 131 F HA -0.296 4.232 4.527 0.001 0.000 0.287 131 F C 1.404 177.396 175.800 0.320 0.000 0.813 131 F CA 0.525 58.740 58.000 0.358 0.000 1.209 131 F CB -2.621 36.642 39.000 0.438 0.000 1.321 131 F HN 0.381 nan 8.300 nan 0.000 0.477 132 S N -0.526 115.414 115.700 0.401 0.000 2.447 132 S HA 0.033 4.504 4.470 0.001 0.000 0.233 132 S C 2.195 176.959 174.600 0.273 0.000 1.006 132 S CA 0.853 59.241 58.200 0.312 0.000 0.957 132 S CB -0.127 63.223 63.200 0.250 0.000 0.773 132 S HN 0.663 nan 8.310 nan 0.000 0.507 133 A N 1.635 124.623 122.820 0.280 0.000 2.121 133 A HA -0.048 4.272 4.320 0.001 0.000 0.218 133 A C 2.210 179.918 177.584 0.206 0.000 1.154 133 A CA 1.466 53.631 52.037 0.213 0.000 0.679 133 A CB -0.683 18.431 19.000 0.191 0.000 0.795 133 A HN 0.596 nan 8.150 nan 0.000 0.458 134 S N 0.031 115.894 115.700 0.271 0.000 2.447 134 S HA -0.068 4.402 4.470 0.001 0.000 0.233 134 S C 1.773 176.487 174.600 0.190 0.000 1.006 134 S CA 1.090 59.429 58.200 0.233 0.000 0.957 134 S CB -0.702 62.687 63.200 0.315 0.000 0.773 134 S HN 0.494 nan 8.310 nan 0.000 0.507 135 L N 0.886 122.261 121.223 0.253 0.000 2.012 135 L HA -0.122 4.218 4.340 0.001 0.000 0.210 135 L C 2.739 179.736 176.870 0.212 0.000 1.073 135 L CA 1.713 56.730 54.840 0.295 0.000 0.748 135 L CB -0.495 41.702 42.059 0.228 0.000 0.891 135 L HN 0.340 nan 8.230 nan 0.000 0.431 136 K N -0.697 119.782 120.400 0.133 0.000 2.366 136 K HA -0.040 4.280 4.320 0.001 0.000 0.198 136 K C 1.941 178.561 176.600 0.032 0.000 1.044 136 K CA 0.556 56.895 56.287 0.087 0.000 0.973 136 K CB 0.159 32.701 32.500 0.070 0.000 0.767 136 K HN 0.150 nan 8.250 nan 0.000 0.475 137 V N 1.641 121.559 119.914 0.007 0.000 2.407 137 V HA -0.179 3.942 4.120 0.001 0.000 0.245 137 V C 1.379 177.386 176.094 -0.146 0.000 1.041 137 V CA 1.743 64.008 62.300 -0.059 0.000 1.040 137 V CB -0.204 31.592 31.823 -0.045 0.000 0.671 137 V HN 0.233 nan 8.190 nan 0.000 0.455 138 D N -1.209 119.037 120.400 -0.256 0.000 2.271 138 D HA 0.118 4.759 4.640 0.001 0.000 0.206 138 D C 0.221 176.048 176.300 -0.789 0.000 0.967 138 D CA 0.719 54.354 54.000 -0.609 0.000 0.867 138 D CB 0.223 40.471 40.800 -0.921 0.000 0.960 138 D HN 0.408 nan 8.370 nan 0.000 0.509 139 F N 0.268 120.221 119.950 0.005 0.000 2.593 139 F HA 0.246 4.773 4.527 0.001 0.000 0.320 139 F C 0.266 176.073 175.800 0.011 0.000 1.060 139 F CA -1.724 56.284 58.000 0.014 0.000 0.940 139 F CB 0.921 39.956 39.000 0.058 0.000 1.268 139 F HN -0.396 nan 8.300 nan 0.000 0.475 140 D N 0.369 120.894 120.400 0.208 0.000 2.458 140 D HA 0.087 4.728 4.640 0.001 0.000 0.243 140 D C 1.287 177.666 176.300 0.132 0.000 1.146 140 D CA 0.546 54.616 54.000 0.118 0.000 0.877 140 D CB 1.145 41.990 40.800 0.075 0.000 1.176 140 D HN 0.695 nan 8.370 nan 0.000 0.461 141 T N 0.667 115.274 114.554 0.089 0.000 2.684 141 T HA -0.230 4.120 4.350 0.001 0.000 0.267 141 T C 1.305 176.048 174.700 0.071 0.000 1.036 141 T CA 1.307 63.453 62.100 0.077 0.000 1.148 141 T CB -0.251 68.647 68.868 0.051 0.000 0.863 141 T HN 0.378 nan 8.240 nan 0.000 0.436 142 D N 1.725 122.160 120.400 0.058 0.000 2.178 142 D HA -0.066 4.574 4.640 0.001 0.000 0.201 142 D C 2.551 178.892 176.300 0.070 0.000 0.980 142 D CA 1.522 55.552 54.000 0.050 0.000 0.842 142 D CB -0.507 40.311 40.800 0.031 0.000 0.948 142 D HN 0.675 nan 8.370 nan 0.000 0.472 143 S N 0.050 115.803 115.700 0.089 0.000 2.423 143 S HA -0.078 4.392 4.470 0.001 0.000 0.231 143 S C 2.134 176.870 174.600 0.225 0.000 1.014 143 S CA 0.378 58.644 58.200 0.111 0.000 0.965 143 S CB -0.555 62.707 63.200 0.103 0.000 0.785 143 S HN 0.258 nan 8.310 nan 0.000 0.495 144 L N 1.714 123.036 121.223 0.165 0.000 2.131 144 L HA -0.046 4.295 4.340 0.001 0.000 0.210 144 L C 2.475 179.401 176.870 0.093 0.000 1.092 144 L CA 1.561 56.425 54.840 0.041 0.000 0.759 144 L CB -0.956 41.077 42.059 -0.043 0.000 0.903 144 L HN 0.622 nan 8.230 nan 0.000 0.435 145 T N -5.418 109.209 114.554 0.122 0.000 3.129 145 T HA 0.098 4.448 4.350 0.001 0.000 0.267 145 T C 0.222 175.022 174.700 0.167 0.000 1.018 145 T CA -0.518 61.666 62.100 0.140 0.000 0.903 145 T CB -0.069 68.868 68.868 0.115 0.000 1.067 145 T HN -0.037 nan 8.240 nan 0.000 0.549 146 D N 1.613 122.111 120.400 0.163 0.000 2.295 146 D HA 0.185 4.826 4.640 0.001 0.000 0.248 146 D C 0.907 177.308 176.300 0.167 0.000 1.154 146 D CA -1.364 52.727 54.000 0.152 0.000 0.857 146 D CB 0.676 41.509 40.800 0.055 0.000 1.117 146 D HN 0.242 nan 8.370 nan 0.000 0.468 147 F N 3.671 123.665 119.950 0.073 0.000 2.333 147 F HA -0.045 4.483 4.527 0.001 0.000 0.300 147 F C 1.465 177.330 175.800 0.109 0.000 1.083 147 F CA 0.936 58.990 58.000 0.089 0.000 1.395 147 F CB -0.487 38.556 39.000 0.072 0.000 1.056 147 F HN 0.461 nan 8.300 nan 0.000 0.529 148 E N 0.081 119.797 120.200 -0.808 0.000 2.502 148 E HA -0.008 4.342 4.350 0.001 0.000 0.194 148 E C -0.319 176.070 176.600 -0.352 0.000 1.062 148 E CA -0.095 55.931 56.400 -0.624 0.000 0.867 148 E CB -0.579 28.777 29.700 -0.572 0.000 0.888 148 E HN 0.355 nan 8.360 nan 0.000 0.510 149 N N 1.607 120.083 118.700 -0.373 0.000 2.479 149 N HA 0.338 5.079 4.740 0.001 0.000 0.285 149 N C -0.820 174.228 175.510 -0.771 0.000 1.075 149 N CA -0.110 52.565 53.050 -0.625 0.000 0.967 149 N CB 1.689 39.674 38.487 -0.837 0.000 1.137 149 N HN 0.216 nan 8.380 nan 0.000 0.472 150 A N 1.761 124.047 122.820 -0.890 0.000 2.294 150 A HA 0.804 5.125 4.320 0.001 0.000 0.330 150 A C -1.012 175.980 177.584 -0.987 0.000 1.133 150 A CA -0.448 51.042 52.037 -0.912 0.000 0.836 150 A CB 0.432 18.612 19.000 -1.367 0.000 1.190 150 A HN 0.544 nan 8.150 nan 0.000 0.492 151 F N 0.256 120.077 119.950 -0.215 0.000 2.540 151 F HA 0.671 5.199 4.527 0.001 0.000 0.317 151 F C 0.512 176.482 175.800 0.284 0.000 1.104 151 F CA -0.280 57.562 58.000 -0.262 0.000 0.913 151 F CB 2.572 40.997 39.000 -0.959 0.000 1.170 151 F HN 0.492 nan 8.300 nan 0.000 0.450 152 S N 2.674 118.705 115.700 0.551 0.000 2.546 152 S HA 0.607 5.078 4.470 0.001 0.000 0.272 152 S C -1.425 173.508 174.600 0.555 0.000 1.140 152 S CA -0.703 57.854 58.200 0.595 0.000 0.920 152 S CB 1.359 64.866 63.200 0.512 0.000 1.083 152 S HN 0.767 nan 8.310 nan 0.000 0.476 153 R N 5.007 125.797 120.500 0.483 0.000 2.422 153 R HA 0.455 4.795 4.340 0.001 0.000 0.307 153 R C -1.270 175.139 176.300 0.182 0.000 1.004 153 R CA -0.569 55.709 56.100 0.297 0.000 0.882 153 R CB 0.416 30.912 30.300 0.328 0.000 1.164 153 R HN 0.560 nan 8.270 nan 0.000 0.489 154 I N 3.843 124.508 120.570 0.157 0.000 2.331 154 I HA 0.254 4.425 4.170 0.001 0.000 0.292 154 I C -0.111 176.006 176.117 0.000 0.000 0.998 154 I CA -0.203 61.136 61.300 0.064 0.000 1.267 154 I CB 1.459 39.459 38.000 -0.000 0.000 1.386 154 I HN 0.650 nan 8.210 nan 0.000 0.476 155 Q N 5.661 125.482 119.800 0.034 0.000 2.325 155 Q HA 0.299 4.639 4.340 0.001 0.000 0.270 155 Q C -1.907 174.140 176.000 0.077 0.000 1.020 155 Q CA -0.669 55.158 55.803 0.040 0.000 0.785 155 Q CB 2.067 30.841 28.738 0.060 0.000 1.259 155 Q HN 0.509 nan 8.270 nan 0.000 0.452 156 Y N 2.837 123.024 120.300 -0.189 0.000 2.369 156 Y HA 0.395 4.945 4.550 0.001 0.000 0.337 156 Y C -0.997 174.909 175.900 0.010 0.000 0.961 156 Y CA -0.460 57.487 58.100 -0.256 0.000 1.186 156 Y CB 1.369 39.694 38.460 -0.226 0.000 1.139 156 Y HN 0.488 nan 8.280 nan 0.000 0.494 157 T N 6.829 121.328 114.554 -0.091 0.000 2.779 157 T HA 0.128 4.479 4.350 0.001 0.000 0.280 157 T C -1.244 173.433 174.700 -0.039 0.000 0.987 157 T CA -0.411 61.689 62.100 -0.001 0.000 0.966 157 T CB 0.492 69.375 68.868 0.025 0.000 0.933 157 T HN 0.375 nan 8.240 nan 0.000 0.442 158 Y N 3.566 123.799 120.300 -0.111 0.000 2.600 158 Y HA 0.244 4.794 4.550 0.001 0.000 0.351 158 Y C -0.483 175.334 175.900 -0.139 0.000 1.042 158 Y CA -1.964 56.038 58.100 -0.165 0.000 1.333 158 Y CB -0.602 37.728 38.460 -0.217 0.000 1.172 158 Y HN 0.510 nan 8.280 nan 0.000 0.517 159 D N 7.223 127.640 120.400 0.029 0.000 2.383 159 D HA 0.098 4.738 4.640 0.001 0.000 0.245 159 D C 1.132 177.303 176.300 -0.215 0.000 1.263 159 D CA 0.307 54.245 54.000 -0.104 0.000 0.936 159 D CB 0.740 41.523 40.800 -0.029 0.000 1.053 159 D HN 0.629 nan 8.370 nan 0.000 0.507 160 L N 2.088 123.067 121.223 -0.407 0.000 2.049 160 L HA -0.017 4.324 4.340 0.001 0.000 0.203 160 L C 0.327 177.176 176.870 -0.033 0.000 1.074 160 L CA 0.925 55.552 54.840 -0.355 0.000 0.749 160 L CB -0.135 41.691 42.059 -0.388 0.000 0.907 160 L HN 0.469 nan 8.230 nan 0.000 0.439 161 Y N -2.865 117.360 120.300 -0.124 0.000 2.638 161 Y HA 0.674 5.224 4.550 0.001 0.000 0.335 161 Y C -0.986 174.907 175.900 -0.011 0.000 1.155 161 Y CA -1.751 56.320 58.100 -0.048 0.000 1.046 161 Y CB 0.865 39.292 38.460 -0.056 0.000 1.303 161 Y HN -0.219 nan 8.280 nan 0.000 0.460 162 I N 3.094 123.791 120.570 0.211 0.000 2.474 162 I HA 0.460 4.630 4.170 0.001 0.000 0.294 162 I C -1.037 175.235 176.117 0.257 0.000 1.005 162 I CA -0.926 60.467 61.300 0.156 0.000 1.113 162 I CB 1.984 40.069 38.000 0.143 0.000 1.289 162 I HN 0.508 nan 8.210 nan 0.000 0.436 163 L N 6.603 127.932 121.223 0.177 0.000 2.322 163 L HA 0.585 4.925 4.340 0.001 0.000 0.281 163 L C -0.507 176.459 176.870 0.161 0.000 1.014 163 L CA -0.670 54.271 54.840 0.167 0.000 0.815 163 L CB 1.421 43.563 42.059 0.138 0.000 1.247 163 L HN 0.495 nan 8.230 nan 0.000 0.421 164 K N 1.805 122.314 120.400 0.182 0.000 2.469 164 K HA 0.737 5.058 4.320 0.001 0.000 0.254 164 K C -1.002 175.703 176.600 0.175 0.000 0.939 164 K CA -0.568 55.828 56.287 0.182 0.000 0.812 164 K CB 2.774 35.412 32.500 0.229 0.000 1.301 164 K HN 0.550 nan 8.250 nan 0.000 0.433 165 S N 0.109 115.919 115.700 0.183 0.000 2.819 165 S HA 0.646 5.116 4.470 0.001 0.000 0.299 165 S C -1.646 173.065 174.600 0.186 0.000 1.192 165 S CA -0.525 57.801 58.200 0.210 0.000 0.847 165 S CB 1.469 64.843 63.200 0.289 0.000 1.224 165 S HN 0.678 nan 8.310 nan 0.000 0.537 166 S N 0.156 115.970 115.700 0.190 0.000 2.627 166 S HA 0.781 5.252 4.470 0.001 0.000 0.283 166 S C 0.877 175.591 174.600 0.190 0.000 1.127 166 S CA -0.130 58.168 58.200 0.163 0.000 0.863 166 S CB 1.014 64.282 63.200 0.113 0.000 1.121 166 S HN 1.254 nan 8.310 nan 0.000 0.479 167 A N 1.151 124.100 122.820 0.214 0.000 1.908 167 A HA -0.074 4.246 4.320 0.001 0.000 0.218 167 A C 2.010 179.620 177.584 0.043 0.000 1.181 167 A CA 1.614 53.760 52.037 0.181 0.000 0.627 167 A CB -0.989 18.115 19.000 0.173 0.000 0.818 167 A HN 0.845 nan 8.150 nan 0.000 0.445 168 E N -0.043 120.188 120.200 0.052 0.000 2.085 168 E HA -0.172 4.178 4.350 0.001 0.000 0.194 168 E C 2.323 178.940 176.600 0.029 0.000 0.994 168 E CA 1.388 57.806 56.400 0.029 0.000 0.801 168 E CB -0.671 29.053 29.700 0.040 0.000 0.743 168 E HN 0.594 nan 8.360 nan 0.000 0.453 169 A N 0.653 123.515 122.820 0.069 0.000 1.969 169 A HA -0.074 4.246 4.320 0.001 0.000 0.218 169 A C 2.326 179.945 177.584 0.058 0.000 1.169 169 A CA 0.843 52.954 52.037 0.124 0.000 0.635 169 A CB -0.499 18.624 19.000 0.206 0.000 0.810 169 A HN 0.175 nan 8.150 nan 0.000 0.445 170 L N -0.947 120.229 121.223 -0.078 0.000 2.313 170 L HA -0.067 4.274 4.340 0.001 0.000 0.214 170 L C 2.346 179.099 176.870 -0.195 0.000 1.119 170 L CA 0.772 55.449 54.840 -0.271 0.000 0.809 170 L CB -0.201 41.631 42.059 -0.377 0.000 0.933 170 L HN 0.317 nan 8.230 nan 0.000 0.449 171 K N 0.544 120.858 120.400 -0.144 0.000 2.074 171 K HA -0.268 4.053 4.320 0.001 0.000 0.209 171 K C 1.866 178.358 176.600 -0.179 0.000 1.048 171 K CA 2.162 58.362 56.287 -0.145 0.000 0.926 171 K CB -0.152 32.288 32.500 -0.100 0.000 0.713 171 K HN 0.504 nan 8.250 nan 0.000 0.444 172 E N -0.381 119.673 120.200 -0.244 0.000 2.409 172 E HA -0.144 4.206 4.350 0.001 0.000 0.198 172 E C 0.757 176.993 176.600 -0.607 0.000 1.024 172 E CA 0.916 57.060 56.400 -0.426 0.000 0.861 172 E CB -0.023 29.366 29.700 -0.518 0.000 0.788 172 E HN 0.247 nan 8.360 nan 0.000 0.521 173 F N 0.466 120.332 119.950 -0.140 0.000 2.654 173 F HA 0.290 4.818 4.527 0.001 0.000 0.303 173 F C 0.293 176.027 175.800 -0.109 0.000 1.099 173 F CA -0.905 57.020 58.000 -0.124 0.000 1.270 173 F CB 0.462 39.357 39.000 -0.176 0.000 1.024 173 F HN 0.003 nan 8.300 nan 0.000 0.548 174 L N 1.768 122.966 121.223 -0.041 0.000 2.453 174 L HA 0.125 4.465 4.340 0.001 0.000 0.272 174 L C 0.570 177.391 176.870 -0.082 0.000 1.182 174 L CA -0.168 54.612 54.840 -0.100 0.000 0.858 174 L CB 0.249 42.207 42.059 -0.168 0.000 1.120 174 L HN 0.008 nan 8.230 nan 0.000 0.474 175 K N 3.127 123.463 120.400 -0.108 0.000 2.489 175 K HA -0.091 4.230 4.320 0.001 0.000 0.278 175 K C 0.834 177.358 176.600 -0.126 0.000 1.000 175 K CA 0.192 56.420 56.287 -0.098 0.000 1.012 175 K CB 0.592 33.022 32.500 -0.117 0.000 0.903 175 K HN 0.564 nan 8.250 nan 0.000 0.485 176 E N 1.391 121.545 120.200 -0.076 0.000 2.110 176 E HA -0.174 4.176 4.350 0.001 0.000 0.193 176 E C 1.651 178.196 176.600 -0.092 0.000 0.988 176 E CA 1.875 58.230 56.400 -0.075 0.000 0.804 176 E CB 0.060 29.737 29.700 -0.038 0.000 0.745 176 E HN 0.659 nan 8.360 nan 0.000 0.458 177 S N -1.001 114.657 115.700 -0.070 0.000 2.399 177 S HA -0.142 4.328 4.470 0.001 0.000 0.231 177 S C 2.081 176.529 174.600 -0.253 0.000 1.022 177 S CA 1.227 59.404 58.200 -0.037 0.000 0.983 177 S CB -0.528 62.758 63.200 0.144 0.000 0.803 177 S HN 0.113 nan 8.310 nan 0.000 0.480 178 V N 2.406 122.025 119.914 -0.491 0.000 2.323 178 V HA -0.110 4.011 4.120 0.001 0.000 0.244 178 V C 2.638 178.459 176.094 -0.455 0.000 1.041 178 V CA 1.869 63.691 62.300 -0.797 0.000 1.025 178 V CB -0.709 30.654 31.823 -0.767 0.000 0.656 178 V HN 0.478 nan 8.190 nan 0.000 0.451 179 K N 0.087 120.314 120.400 -0.288 0.000 2.044 179 K HA -0.191 4.130 4.320 0.001 0.000 0.210 179 K C 2.217 178.726 176.600 -0.151 0.000 1.049 179 K CA 2.058 58.231 56.287 -0.189 0.000 0.927 179 K CB -0.613 31.805 32.500 -0.137 0.000 0.713 179 K HN 0.448 nan 8.250 nan 0.000 0.443 180 T N 1.154 115.629 114.554 -0.132 0.000 2.708 180 T HA -0.165 4.186 4.350 0.001 0.000 0.266 180 T C 2.063 176.714 174.700 -0.082 0.000 1.037 180 T CA 1.477 63.528 62.100 -0.082 0.000 1.146 180 T CB -0.346 68.495 68.868 -0.046 0.000 0.865 180 T HN 0.370 nan 8.240 nan 0.000 0.435 181 A N 1.182 123.932 122.820 -0.116 0.000 1.908 181 A HA -0.034 4.286 4.320 0.001 0.000 0.218 181 A C 2.334 179.852 177.584 -0.111 0.000 1.181 181 A CA 1.342 53.328 52.037 -0.084 0.000 0.627 181 A CB -0.924 18.008 19.000 -0.113 0.000 0.818 181 A HN 0.474 nan 8.150 nan 0.000 0.445 182 L N -0.626 120.501 121.223 -0.160 0.000 2.017 182 L HA -0.196 4.144 4.340 0.001 0.000 0.208 182 L C 2.072 178.900 176.870 -0.071 0.000 1.073 182 L CA 1.596 56.371 54.840 -0.108 0.000 0.745 182 L CB -0.635 41.359 42.059 -0.109 0.000 0.894 182 L HN 0.294 nan 8.230 nan 0.000 0.432 183 D N -0.344 120.014 120.400 -0.070 0.000 2.183 183 D HA -0.118 4.523 4.640 0.001 0.000 0.203 183 D C 2.060 178.334 176.300 -0.044 0.000 0.969 183 D CA 0.964 54.935 54.000 -0.049 0.000 0.842 183 D CB 0.005 40.776 40.800 -0.048 0.000 0.957 183 D HN 0.131 nan 8.370 nan 0.000 0.484 184 K N 0.352 120.724 120.400 -0.047 0.000 2.379 184 K HA 0.236 4.557 4.320 0.001 0.000 0.194 184 K C 0.410 176.981 176.600 -0.048 0.000 1.031 184 K CA -0.060 56.204 56.287 -0.038 0.000 1.037 184 K CB 0.531 33.015 32.500 -0.026 0.000 0.824 184 K HN -0.033 nan 8.250 nan 0.000 0.516 185 A N 2.509 125.288 122.820 -0.068 0.000 2.489 185 A HA -0.018 4.302 4.320 0.001 0.000 0.289 185 A C 0.599 178.123 177.584 -0.100 0.000 1.216 185 A CA 0.234 52.210 52.037 -0.101 0.000 0.883 185 A CB -0.130 18.776 19.000 -0.157 0.000 1.110 185 A HN 0.118 nan 8.150 nan 0.000 0.523 186 D N 1.663 122.012 120.400 -0.085 0.000 2.943 186 D HA 0.014 4.654 4.640 0.001 0.000 0.282 186 D C 1.374 177.628 176.300 -0.077 0.000 1.148 186 D CA 1.573 55.533 54.000 -0.067 0.000 1.006 186 D CB -0.023 40.752 40.800 -0.041 0.000 1.168 186 D HN 0.563 nan 8.370 nan 0.000 0.450 187 T N -1.300 113.212 114.554 -0.071 0.000 2.788 187 T HA 0.177 4.527 4.350 0.001 0.000 0.287 187 T C 1.182 175.814 174.700 -0.112 0.000 1.007 187 T CA -0.347 61.717 62.100 -0.060 0.000 1.005 187 T CB 0.967 69.815 68.868 -0.032 0.000 1.012 187 T HN 0.052 nan 8.240 nan 0.000 0.530 188 E N 0.148 120.313 120.200 -0.058 0.000 2.118 188 E HA -0.162 4.188 4.350 0.001 0.000 0.195 188 E C 2.168 178.731 176.600 -0.062 0.000 0.992 188 E CA 1.142 57.511 56.400 -0.052 0.000 0.804 188 E CB 0.051 29.846 29.700 0.157 0.000 0.741 188 E HN 0.628 nan 8.360 nan 0.000 0.458 189 E N 0.835 121.027 120.200 -0.013 0.000 2.106 189 E HA -0.154 4.197 4.350 0.001 0.000 0.192 189 E C 1.690 178.264 176.600 -0.043 0.000 0.984 189 E CA 0.757 57.162 56.400 0.008 0.000 0.806 189 E CB -0.156 29.557 29.700 0.022 0.000 0.750 189 E HN 0.263 nan 8.360 nan 0.000 0.458 190 D N 0.539 120.888 120.400 -0.085 0.000 2.104 190 D HA -0.149 4.491 4.640 0.001 0.000 0.194 190 D C 2.028 178.204 176.300 -0.208 0.000 0.994 190 D CA 1.143 55.077 54.000 -0.111 0.000 0.830 190 D CB -0.229 40.507 40.800 -0.107 0.000 0.959 190 D HN 0.208 nan 8.370 nan 0.000 0.452 191 M N 0.193 119.578 119.600 -0.358 0.000 2.200 191 M HA -0.092 4.388 4.480 0.001 0.000 0.265 191 M C 1.760 177.697 176.300 -0.605 0.000 1.066 191 M CA 0.714 55.629 55.300 -0.643 0.000 1.127 191 M CB -0.177 31.849 32.600 -0.957 0.000 1.379 191 M HN -0.072 nan 8.290 nan 0.000 0.420 192 N N 0.930 119.510 118.700 -0.200 0.000 2.043 192 N HA -0.195 4.546 4.740 0.001 0.000 0.193 192 N C 1.315 176.870 175.510 0.076 0.000 1.037 192 N CA 1.704 54.852 53.050 0.163 0.000 0.851 192 N CB -0.635 38.051 38.487 0.332 0.000 1.027 192 N HN 0.321 nan 8.380 nan 0.000 0.422 193 D N 0.279 120.688 120.400 0.015 0.000 2.123 193 D HA -0.118 4.522 4.640 0.001 0.000 0.196 193 D C 1.996 178.307 176.300 0.018 0.000 0.992 193 D CA 0.422 54.442 54.000 0.034 0.000 0.833 193 D CB -0.165 40.644 40.800 0.015 0.000 0.954 193 D HN 0.102 nan 8.370 nan 0.000 0.455 194 L N -0.438 120.732 121.223 -0.087 0.000 1.989 194 L HA -0.151 4.189 4.340 0.001 0.000 0.211 194 L C 1.937 178.846 176.870 0.064 0.000 1.071 194 L CA 1.719 56.542 54.840 -0.029 0.000 0.749 194 L CB -0.801 41.093 42.059 -0.275 0.000 0.890 194 L HN 0.015 nan 8.230 nan 0.000 0.431 195 F N 0.046 119.917 119.950 -0.130 0.000 2.234 195 F HA -0.102 4.425 4.527 0.001 0.000 0.299 195 F C 2.370 178.116 175.800 -0.091 0.000 1.087 195 F CA 0.806 58.587 58.000 -0.366 0.000 1.340 195 F CB -1.371 36.844 39.000 -1.308 0.000 1.031 195 F HN 0.258 nan 8.300 nan 0.000 0.500 196 N N -0.450 118.409 118.700 0.265 0.000 2.171 196 N HA -0.092 4.649 4.740 0.001 0.000 0.184 196 N C 1.863 177.487 175.510 0.190 0.000 1.021 196 N CA 1.728 54.985 53.050 0.346 0.000 0.854 196 N CB -0.763 37.917 38.487 0.321 0.000 0.994 196 N HN 0.194 nan 8.380 nan 0.000 0.426 197 T N -0.858 113.753 114.554 0.094 0.000 2.781 197 T HA -0.012 4.338 4.350 0.001 0.000 0.252 197 T C 1.529 176.146 174.700 -0.139 0.000 1.039 197 T CA 0.772 62.819 62.100 -0.088 0.000 1.147 197 T CB -0.286 68.453 68.868 -0.215 0.000 0.865 197 T HN 0.320 nan 8.240 nan 0.000 0.423 198 W N 1.342 122.690 121.300 0.081 0.000 2.737 198 W HA 0.434 5.094 4.660 0.001 0.000 0.262 198 W C 1.258 177.841 176.519 0.108 0.000 1.282 198 W CA 0.502 57.893 57.345 0.077 0.000 1.386 198 W CB 0.103 29.592 29.460 0.048 0.000 1.099 198 W HN 0.563 nan 8.180 nan 0.000 0.621 199 G N -0.073 108.929 108.800 0.337 0.000 2.629 199 G HA2 -0.158 3.802 3.960 0.001 0.000 0.686 199 G HA3 -0.158 3.802 3.960 0.001 0.000 0.686 199 G C 0.484 175.510 174.900 0.210 0.000 1.232 199 G CA -0.271 44.992 45.100 0.272 0.000 0.803 199 G HN 0.184 nan 8.290 nan 0.000 0.638 200 S N -0.528 115.210 115.700 0.064 0.000 2.486 200 S HA 0.367 4.838 4.470 0.001 0.000 0.220 200 S C 0.786 175.103 174.600 -0.472 0.000 1.011 200 S CA 1.486 59.514 58.200 -0.285 0.000 0.921 200 S CB 0.233 63.233 63.200 -0.334 0.000 0.785 200 S HN 1.030 nan 8.310 nan 0.000 0.517 201 H N -0.199 118.725 119.070 -0.244 0.000 2.980 201 H HA 0.636 5.193 4.556 0.001 0.000 0.367 201 H C -1.085 174.199 175.328 -0.073 0.000 1.206 201 H CA -0.933 54.902 56.048 -0.356 0.000 1.126 201 H CB 1.540 31.022 29.762 -0.466 0.000 1.838 201 H HN 0.344 nan 8.280 nan 0.000 0.552 202 F N -0.694 119.211 119.950 -0.075 0.000 2.593 202 F HA 0.593 5.121 4.527 0.001 0.000 0.320 202 F C -1.272 174.522 175.800 -0.010 0.000 1.060 202 F CA -1.428 56.568 58.000 -0.006 0.000 0.940 202 F CB 0.873 39.856 39.000 -0.028 0.000 1.268 202 F HN 0.230 nan 8.300 nan 0.000 0.475 203 L N 2.433 123.790 121.223 0.224 0.000 2.418 203 L HA 0.215 4.555 4.340 0.001 0.000 0.274 203 L C 0.674 177.656 176.870 0.186 0.000 1.135 203 L CA 0.089 54.997 54.840 0.114 0.000 0.870 203 L CB 0.932 43.075 42.059 0.140 0.000 1.154 203 L HN 0.994 nan 8.230 nan 0.000 0.462 204 S N 0.228 115.939 115.700 0.019 0.000 2.666 204 S HA 0.326 4.797 4.470 0.001 0.000 0.239 204 S C 0.504 175.146 174.600 0.070 0.000 1.031 204 S CA 0.075 58.319 58.200 0.074 0.000 1.015 204 S CB 1.030 64.178 63.200 -0.087 0.000 0.981 204 S HN 0.685 nan 8.310 nan 0.000 0.547 205 G N 1.602 110.431 108.800 0.049 0.000 2.267 205 G HA2 0.526 4.487 3.960 0.001 0.000 0.285 205 G HA3 0.526 4.487 3.960 0.001 0.000 0.285 205 G C -1.062 173.879 174.900 0.068 0.000 1.323 205 G CA -0.238 44.898 45.100 0.060 0.000 1.306 205 G HN 0.948 nan 8.290 nan 0.000 0.617 206 V N -0.252 119.694 119.914 0.053 0.000 2.962 206 V HA 0.885 5.006 4.120 0.001 0.000 0.313 206 V C -0.641 175.427 176.094 -0.044 0.000 1.099 206 V CA -1.206 61.093 62.300 -0.002 0.000 0.971 206 V CB 1.921 33.730 31.823 -0.023 0.000 1.028 206 V HN 0.506 nan 8.190 nan 0.000 0.430 207 V N 4.934 124.785 119.914 -0.106 0.000 2.394 207 V HA 0.532 4.652 4.120 0.001 0.000 0.282 207 V C 0.119 176.064 176.094 -0.248 0.000 1.031 207 V CA -0.417 61.789 62.300 -0.156 0.000 0.881 207 V CB 1.403 33.156 31.823 -0.117 0.000 0.982 207 V HN 0.862 nan 8.190 nan 0.000 0.451 208 M N 3.813 123.149 119.600 -0.441 0.000 2.300 208 M HA 0.767 5.247 4.480 0.001 0.000 0.348 208 M C 0.684 176.655 176.300 -0.548 0.000 1.151 208 M CA 0.115 55.071 55.300 -0.574 0.000 1.046 208 M CB 1.054 33.010 32.600 -1.074 0.000 1.647 208 M HN 0.933 nan 8.290 nan 0.000 0.451 209 G N 1.887 110.474 108.800 -0.354 0.000 2.530 209 G HA2 0.408 4.368 3.960 0.001 0.000 0.081 209 G HA3 0.408 4.368 3.960 0.001 0.000 0.081 209 G C -0.886 173.913 174.900 -0.168 0.000 1.062 209 G CA -0.085 44.816 45.100 -0.333 0.000 1.108 209 G HN 0.995 nan 8.290 nan 0.000 0.466 210 G N -1.145 107.609 108.800 -0.077 0.000 2.690 210 G HA2 0.752 4.713 3.960 0.001 0.000 0.293 210 G HA3 0.752 4.713 3.960 0.001 0.000 0.293 210 G C -0.615 174.507 174.900 0.370 0.000 1.399 210 G CA 0.430 45.638 45.100 0.179 0.000 0.890 210 G HN 2.135 nan 8.290 nan 0.000 0.485 211 C N -0.733 118.858 119.300 0.485 0.000 3.086 211 C HA 0.955 5.415 4.460 0.001 0.000 0.311 211 C C 0.005 175.105 174.990 0.185 0.000 1.260 211 C CA -0.495 58.725 59.018 0.336 0.000 1.426 211 C CB 1.124 28.981 27.740 0.194 0.000 1.826 211 C HN 1.636 nan 8.230 nan 0.000 0.474 212 A N 2.120 125.035 122.820 0.160 0.000 2.318 212 A HA 0.798 5.118 4.320 0.001 0.000 0.324 212 A C -0.679 177.076 177.584 0.284 0.000 1.170 212 A CA -0.328 51.804 52.037 0.159 0.000 0.810 212 A CB 0.856 19.909 19.000 0.090 0.000 1.198 212 A HN 0.933 nan 8.150 nan 0.000 0.484 213 Q N 0.475 120.526 119.800 0.418 0.000 2.337 213 Q HA 0.536 4.877 4.340 0.001 0.000 0.266 213 Q C -1.916 174.317 176.000 0.389 0.000 1.023 213 Q CA -0.453 55.530 55.803 0.300 0.000 0.829 213 Q CB 2.743 31.620 28.738 0.232 0.000 1.306 213 Q HN 0.714 nan 8.270 nan 0.000 0.449 214 Y N 1.375 121.737 120.300 0.104 0.000 2.317 214 Y HA 0.338 4.889 4.550 0.001 0.000 0.329 214 Y C -1.379 174.563 175.900 0.070 0.000 1.101 214 Y CA -0.428 57.742 58.100 0.117 0.000 1.228 214 Y CB 1.159 39.792 38.460 0.289 0.000 1.123 214 Y HN 0.652 nan 8.280 nan 0.000 0.457 215 S N 2.809 118.424 115.700 -0.141 0.000 2.500 215 S HA 0.895 5.366 4.470 0.001 0.000 0.301 215 S C -0.782 173.773 174.600 -0.075 0.000 1.092 215 S CA -0.615 57.527 58.200 -0.097 0.000 1.030 215 S CB 1.725 64.706 63.200 -0.364 0.000 1.031 215 S HN 0.750 nan 8.310 nan 0.000 0.483 216 S N 0.742 116.579 115.700 0.229 0.000 2.547 216 S HA 0.758 5.228 4.470 0.001 0.000 0.281 216 S C -0.608 174.129 174.600 0.229 0.000 1.118 216 S CA -0.830 57.465 58.200 0.158 0.000 0.947 216 S CB 1.330 64.591 63.200 0.101 0.000 1.053 216 S HN 1.182 nan 8.310 nan 0.000 0.482 217 S N 1.426 117.129 115.700 0.006 0.000 2.433 217 S HA 0.704 5.175 4.470 0.001 0.000 0.310 217 S C -0.514 173.845 174.600 -0.401 0.000 1.097 217 S CA -0.586 57.400 58.200 -0.357 0.000 1.103 217 S CB 0.907 63.934 63.200 -0.289 0.000 0.992 217 S HN 0.726 nan 8.310 nan 0.000 0.469 218 T N 3.345 117.598 114.554 -0.502 0.000 2.812 218 T HA 0.357 4.708 4.350 0.001 0.000 0.282 218 T C -0.228 174.222 174.700 -0.417 0.000 0.990 218 T CA -0.748 61.099 62.100 -0.422 0.000 0.960 218 T CB 0.931 69.615 68.868 -0.307 0.000 0.948 218 T HN 0.719 nan 8.240 nan 0.000 0.438 219 N N 2.777 121.290 118.700 -0.312 0.000 2.427 219 N HA 0.026 4.766 4.740 0.001 0.000 0.269 219 N C 1.015 176.389 175.510 -0.225 0.000 1.235 219 N CA 0.196 53.101 53.050 -0.242 0.000 0.934 219 N CB 0.633 39.026 38.487 -0.156 0.000 1.121 219 N HN 0.536 nan 8.380 nan 0.000 0.480 220 K N 3.120 123.345 120.400 -0.292 0.000 2.211 220 K HA -0.132 4.188 4.320 0.001 0.000 0.203 220 K C 0.801 177.187 176.600 -0.357 0.000 1.050 220 K CA 1.245 57.304 56.287 -0.379 0.000 0.945 220 K CB 0.118 32.291 32.500 -0.545 0.000 0.732 220 K HN 0.590 nan 8.250 nan 0.000 0.451 221 Y N -0.047 120.154 120.300 -0.164 0.000 2.397 221 Y HA -0.107 4.443 4.550 0.001 0.000 0.292 221 Y C 2.687 178.536 175.900 -0.084 0.000 1.115 221 Y CA 1.212 59.253 58.100 -0.097 0.000 1.208 221 Y CB 0.025 38.439 38.460 -0.076 0.000 1.046 221 Y HN 0.134 nan 8.280 nan 0.000 0.552 222 T N -3.891 110.686 114.554 0.038 0.000 3.037 222 T HA -0.031 4.319 4.350 0.001 0.000 0.252 222 T C 1.961 176.645 174.700 -0.027 0.000 1.073 222 T CA 0.575 62.674 62.100 -0.001 0.000 1.091 222 T CB -0.547 68.308 68.868 -0.020 0.000 0.935 222 T HN 0.274 nan 8.240 nan 0.000 0.488 223 S N 2.420 118.090 115.700 -0.050 0.000 2.382 223 S HA -0.150 4.320 4.470 0.001 0.000 0.228 223 S C 1.281 175.873 174.600 -0.013 0.000 1.027 223 S CA 0.961 59.141 58.200 -0.034 0.000 0.991 223 S CB -1.138 62.041 63.200 -0.035 0.000 0.823 223 S HN 0.604 nan 8.310 nan 0.000 0.469 224 N N 0.919 119.603 118.700 -0.027 0.000 2.714 224 N HA -0.138 4.602 4.740 0.001 0.000 0.252 224 N C -0.816 174.683 175.510 -0.017 0.000 1.014 224 N CA 0.434 53.470 53.050 -0.023 0.000 0.735 224 N CB -2.066 36.412 38.487 -0.014 0.000 0.924 224 N HN 0.657 nan 8.380 nan 0.000 0.540 225 L N -0.280 120.936 121.223 -0.012 0.000 2.395 225 L HA 0.198 4.539 4.340 0.001 0.000 0.269 225 L C 1.831 178.672 176.870 -0.048 0.000 1.133 225 L CA -0.362 54.470 54.840 -0.014 0.000 0.812 225 L CB 0.774 42.851 42.059 0.031 0.000 1.125 225 L HN 0.167 nan 8.230 nan 0.000 0.452 226 T N -0.004 114.495 114.554 -0.091 0.000 2.814 226 T HA 0.010 4.360 4.350 0.001 0.000 0.254 226 T C 0.857 175.474 174.700 -0.140 0.000 1.037 226 T CA 0.545 62.577 62.100 -0.113 0.000 1.143 226 T CB -0.018 68.767 68.868 -0.138 0.000 0.866 226 T HN 0.519 nan 8.240 nan 0.000 0.431 227 N N 1.726 120.286 118.700 -0.233 0.000 2.463 227 N HA 0.264 5.004 4.740 0.001 0.000 0.270 227 N C -0.429 175.016 175.510 -0.108 0.000 1.205 227 N CA -0.129 52.776 53.050 -0.240 0.000 0.974 227 N CB 0.783 38.949 38.487 -0.536 0.000 1.197 227 N HN 0.141 nan 8.380 nan 0.000 0.504 228 S N 1.065 116.728 115.700 -0.062 0.000 2.552 228 S HA -0.042 4.428 4.470 0.001 0.000 0.289 228 S C 1.456 176.043 174.600 -0.022 0.000 1.304 228 S CA -0.393 57.805 58.200 -0.003 0.000 1.063 228 S CB -0.166 63.007 63.200 -0.045 0.000 0.848 228 S HN 0.567 nan 8.310 nan 0.000 0.499 229 F N 2.693 122.641 119.950 -0.004 0.000 2.202 229 F HA -0.190 4.337 4.527 0.001 0.000 0.301 229 F C 1.889 177.700 175.800 0.018 0.000 1.082 229 F CA 1.511 59.536 58.000 0.041 0.000 1.313 229 F CB -0.524 38.532 39.000 0.093 0.000 1.024 229 F HN 0.640 nan 8.300 nan 0.000 0.495 230 D N 1.130 120.909 120.400 -1.036 0.000 2.149 230 D HA -0.130 4.510 4.640 0.001 0.000 0.201 230 D C 2.072 178.168 176.300 -0.340 0.000 0.972 230 D CA 1.414 54.968 54.000 -0.742 0.000 0.835 230 D CB -0.952 39.409 40.800 -0.731 0.000 0.966 230 D HN 0.392 nan 8.370 nan 0.000 0.476 231 V N 1.077 120.849 119.914 -0.237 0.000 2.453 231 V HA -0.178 3.943 4.120 0.001 0.000 0.247 231 V C 2.936 179.013 176.094 -0.027 0.000 1.048 231 V CA 0.952 63.195 62.300 -0.094 0.000 1.049 231 V CB -0.239 31.602 31.823 0.030 0.000 0.672 231 V HN 0.088 nan 8.190 nan 0.000 0.457 232 V N 0.549 120.421 119.914 -0.070 0.000 2.343 232 V HA -0.252 3.868 4.120 0.001 0.000 0.247 232 V C 2.745 178.554 176.094 -0.475 0.000 1.051 232 V CA 1.979 64.201 62.300 -0.131 0.000 1.036 232 V CB -1.170 30.557 31.823 -0.160 0.000 0.654 232 V HN 0.550 nan 8.190 nan 0.000 0.451 233 A N 0.138 122.569 122.820 -0.648 0.000 1.908 233 A HA -0.159 4.161 4.320 0.001 0.000 0.218 233 A C 2.435 179.876 177.584 -0.237 0.000 1.181 233 A CA 2.246 53.880 52.037 -0.672 0.000 0.627 233 A CB -0.825 18.075 19.000 -0.167 0.000 0.818 233 A HN 0.581 nan 8.150 nan 0.000 0.445 234 A N -0.324 122.373 122.820 -0.206 0.000 1.933 234 A HA 0.182 4.503 4.320 0.001 0.000 0.218 234 A C 2.482 179.957 177.584 -0.181 0.000 1.175 234 A CA 2.042 53.955 52.037 -0.207 0.000 0.628 234 A CB -0.926 17.860 19.000 -0.355 0.000 0.814 234 A HN 1.055 nan 8.150 nan 0.000 0.444 235 A N -0.947 121.757 122.820 -0.193 0.000 1.930 235 A HA -0.054 4.267 4.320 0.001 0.000 0.217 235 A C 2.454 179.956 177.584 -0.136 0.000 1.175 235 A CA 1.995 53.924 52.037 -0.181 0.000 0.627 235 A CB -0.885 18.021 19.000 -0.156 0.000 0.815 235 A HN 0.541 nan 8.150 nan 0.000 0.443 236 S N -1.233 114.382 115.700 -0.141 0.000 2.356 236 S HA -0.181 4.289 4.470 0.001 0.000 0.223 236 S C 1.780 176.279 174.600 -0.169 0.000 1.032 236 S CA 1.706 59.864 58.200 -0.071 0.000 1.005 236 S CB -0.554 62.638 63.200 -0.014 0.000 0.867 236 S HN 0.636 nan 8.310 nan 0.000 0.449 237 F N 2.460 122.074 119.950 -0.560 0.000 2.069 237 F HA -0.032 4.495 4.527 0.001 0.000 0.298 237 F C 2.281 177.893 175.800 -0.314 0.000 1.113 237 F CA 1.522 59.039 58.000 -0.805 0.000 1.214 237 F CB -1.080 37.481 39.000 -0.732 0.000 0.978 237 F HN 0.256 nan 8.300 nan 0.000 0.474 238 A N 0.512 123.081 122.820 -0.418 0.000 1.877 238 A HA -0.052 4.268 4.320 0.001 0.000 0.216 238 A C 2.508 179.847 177.584 -0.407 0.000 1.186 238 A CA 1.773 53.505 52.037 -0.509 0.000 0.620 238 A CB -1.868 16.975 19.000 -0.261 0.000 0.822 238 A HN 0.554 nan 8.150 nan 0.000 0.443 239 G N -1.614 107.048 108.800 -0.229 0.000 2.422 239 G HA2 -0.241 3.720 3.960 0.001 0.000 0.218 239 G HA3 -0.241 3.720 3.960 0.001 0.000 0.218 239 G C 1.516 176.379 174.900 -0.061 0.000 1.146 239 G CA 0.994 46.022 45.100 -0.121 0.000 0.769 239 G HN 0.512 nan 8.290 nan 0.000 0.547 240 F N 1.745 121.558 119.950 -0.228 0.000 2.126 240 F HA -0.093 4.435 4.527 0.001 0.000 0.299 240 F C 2.227 177.934 175.800 -0.155 0.000 1.096 240 F CA 1.450 59.378 58.000 -0.121 0.000 1.255 240 F CB 0.101 39.070 39.000 -0.052 0.000 0.997 240 F HN 0.231 nan 8.300 nan 0.000 0.479 241 I N -2.428 117.924 120.570 -0.363 0.000 3.891 241 I HA 0.465 4.636 4.170 0.001 0.000 0.331 241 I C 1.100 176.997 176.117 -0.367 0.000 1.406 241 I CA 0.552 61.576 61.300 -0.460 0.000 1.139 241 I CB -0.158 37.430 38.000 -0.687 0.000 1.056 241 I HN 0.187 nan 8.210 nan 0.000 0.399 242 G N 1.604 110.239 108.800 -0.276 0.000 2.147 242 G HA2 -0.215 3.745 3.960 0.001 0.000 0.244 242 G HA3 -0.215 3.745 3.960 0.001 0.000 0.244 242 G C 0.013 174.792 174.900 -0.202 0.000 1.005 242 G CA 0.334 45.321 45.100 -0.189 0.000 0.713 242 G HN 0.432 nan 8.290 nan 0.000 0.515 243 L N 0.094 121.146 121.223 -0.286 0.000 2.472 243 L HA 0.577 4.918 4.340 0.001 0.000 0.256 243 L C 1.190 177.950 176.870 -0.184 0.000 1.111 243 L CA -0.859 53.832 54.840 -0.248 0.000 0.800 243 L CB 0.814 42.661 42.059 -0.352 0.000 1.286 243 L HN 0.109 nan 8.230 nan 0.000 0.479 244 S N 0.439 116.052 115.700 -0.145 0.000 2.533 244 S HA 0.450 4.920 4.470 0.001 0.000 0.282 244 S C -0.119 174.389 174.600 -0.155 0.000 1.304 244 S CA -0.527 57.599 58.200 -0.123 0.000 1.063 244 S CB 0.635 63.778 63.200 -0.095 0.000 0.881 244 S HN 0.593 nan 8.310 nan 0.000 0.493 245 A N 3.944 126.674 122.820 -0.149 0.000 2.475 245 A HA 0.693 5.014 4.320 0.001 0.000 0.301 245 A C -0.440 177.032 177.584 -0.186 0.000 1.059 245 A CA -0.977 50.949 52.037 -0.185 0.000 0.710 245 A CB 0.970 19.882 19.000 -0.147 0.000 1.288 245 A HN 0.609 nan 8.150 nan 0.000 0.408 246 R N 0.758 121.073 120.500 -0.309 0.000 2.679 246 R HA 0.317 4.658 4.340 0.001 0.000 0.268 246 R C 0.432 176.692 176.300 -0.068 0.000 1.044 246 R CA 0.537 56.468 56.100 -0.282 0.000 1.105 246 R CB 0.310 30.197 30.300 -0.688 0.000 0.989 246 R HN 0.842 nan 8.270 nan 0.000 0.447 247 T N -0.130 114.426 114.554 0.003 0.000 3.085 247 T HA 0.134 4.485 4.350 0.001 0.000 0.241 247 T C 0.988 175.755 174.700 0.112 0.000 0.988 247 T CA 0.641 62.777 62.100 0.060 0.000 1.117 247 T CB 0.186 69.069 68.868 0.025 0.000 0.978 247 T HN 0.685 nan 8.240 nan 0.000 0.454 248 G N 0.917 109.776 108.800 0.098 0.000 2.553 248 G HA2 0.328 4.289 3.960 0.001 0.000 0.278 248 G HA3 0.328 4.289 3.960 0.001 0.000 0.278 248 G C -0.050 174.968 174.900 0.196 0.000 1.349 248 G CA -0.386 44.779 45.100 0.108 0.000 1.037 248 G HN 0.318 nan 8.290 nan 0.000 0.508 249 N N -1.262 117.515 118.700 0.130 0.000 2.721 249 N HA -0.218 4.523 4.740 0.001 0.000 0.249 249 N C 0.927 176.433 175.510 -0.006 0.000 1.072 249 N CA 1.197 54.311 53.050 0.106 0.000 0.710 249 N CB -1.156 37.457 38.487 0.209 0.000 0.993 249 N HN 0.759 nan 8.380 nan 0.000 0.547 250 S N -3.599 112.099 115.700 -0.004 0.000 3.261 250 S HA -0.271 4.200 4.470 0.001 0.000 0.287 250 S C 1.104 175.640 174.600 -0.106 0.000 1.281 250 S CA 1.103 59.262 58.200 -0.070 0.000 1.053 250 S CB -1.741 61.384 63.200 -0.125 0.000 1.251 250 S HN 0.473 nan 8.310 nan 0.000 0.659 251 F N 0.824 120.765 119.950 -0.015 0.000 2.146 251 F HA 0.008 4.535 4.527 0.001 0.000 0.298 251 F C 2.472 178.266 175.800 -0.010 0.000 1.096 251 F CA 2.007 59.993 58.000 -0.023 0.000 1.275 251 F CB -0.334 38.642 39.000 -0.040 0.000 1.008 251 F HN 0.358 nan 8.300 nan 0.000 0.480 252 M N 0.415 120.116 119.600 0.168 0.000 2.080 252 M HA -0.225 4.255 4.480 0.001 0.000 0.260 252 M C 2.377 178.724 176.300 0.077 0.000 1.068 252 M CA 2.023 57.386 55.300 0.104 0.000 1.109 252 M CB -0.272 32.372 32.600 0.073 0.000 1.342 252 M HN 0.152 nan 8.290 nan 0.000 0.405 253 E N -0.479 119.751 120.200 0.050 0.000 2.106 253 E HA -0.211 4.140 4.350 0.001 0.000 0.192 253 E C 1.360 177.981 176.600 0.034 0.000 0.984 253 E CA 1.390 57.810 56.400 0.034 0.000 0.806 253 E CB -0.891 28.817 29.700 0.013 0.000 0.750 253 E HN 0.529 nan 8.360 nan 0.000 0.458 254 D N 1.358 121.761 120.400 0.006 0.000 2.097 254 D HA -0.062 4.578 4.640 0.001 0.000 0.195 254 D C 2.218 178.580 176.300 0.103 0.000 0.989 254 D CA 0.864 54.867 54.000 0.004 0.000 0.827 254 D CB -0.273 40.445 40.800 -0.137 0.000 0.966 254 D HN 0.222 nan 8.370 nan 0.000 0.456 255 I N 0.697 121.338 120.570 0.118 0.000 2.179 255 I HA -0.265 3.906 4.170 0.001 0.000 0.242 255 I C 2.436 178.672 176.117 0.199 0.000 1.088 255 I CA 1.046 62.444 61.300 0.164 0.000 1.357 255 I CB -0.170 37.909 38.000 0.132 0.000 1.051 255 I HN -0.030 nan 8.210 nan 0.000 0.409 256 K N 1.450 121.931 120.400 0.134 0.000 2.020 256 K HA -0.244 4.076 4.320 0.001 0.000 0.212 256 K C 2.153 178.815 176.600 0.104 0.000 1.050 256 K CA 1.751 58.103 56.287 0.109 0.000 0.929 256 K CB -0.013 32.531 32.500 0.073 0.000 0.714 256 K HN 0.190 nan 8.250 nan 0.000 0.443 257 K N -0.279 120.180 120.400 0.098 0.000 2.057 257 K HA -0.173 4.147 4.320 0.001 0.000 0.207 257 K C 2.061 178.718 176.600 0.095 0.000 1.049 257 K CA 1.640 57.971 56.287 0.074 0.000 0.931 257 K CB -0.328 32.207 32.500 0.058 0.000 0.714 257 K HN 0.170 nan 8.250 nan 0.000 0.440 258 F N 2.262 122.222 119.950 0.017 0.000 2.095 258 F HA -0.233 4.294 4.527 0.001 0.000 0.298 258 F C 2.147 177.956 175.800 0.015 0.000 1.104 258 F CA 1.569 59.586 58.000 0.028 0.000 1.232 258 F CB -0.026 39.016 39.000 0.070 0.000 0.987 258 F HN -0.131 nan 8.300 nan 0.000 0.475 259 R N -0.300 120.263 120.500 0.105 0.000 2.092 259 R HA -0.107 4.234 4.340 0.001 0.000 0.231 259 R C 2.383 178.618 176.300 -0.108 0.000 1.119 259 R CA 1.475 57.559 56.100 -0.027 0.000 0.970 259 R CB -0.683 29.682 30.300 0.108 0.000 0.864 259 R HN 0.229 nan 8.270 nan 0.000 0.440 260 S N 0.332 115.999 115.700 -0.055 0.000 2.423 260 S HA -0.044 4.427 4.470 0.001 0.000 0.231 260 S C 1.642 176.177 174.600 -0.108 0.000 1.014 260 S CA 1.142 59.305 58.200 -0.061 0.000 0.965 260 S CB 0.193 63.379 63.200 -0.023 0.000 0.785 260 S HN 0.451 nan 8.310 nan 0.000 0.495 261 A N 0.452 123.177 122.820 -0.159 0.000 2.387 261 A HA 0.499 4.820 4.320 0.001 0.000 0.234 261 A C 0.554 177.966 177.584 -0.285 0.000 1.253 261 A CA -0.259 51.665 52.037 -0.187 0.000 0.894 261 A CB 0.316 19.224 19.000 -0.152 0.000 0.963 261 A HN 0.272 nan 8.150 nan 0.000 0.508 262 S N 0.264 115.746 115.700 -0.363 0.000 2.542 262 S HA 0.354 4.825 4.470 0.001 0.000 0.293 262 S C -0.577 173.845 174.600 -0.296 0.000 1.089 262 S CA -0.823 57.117 58.200 -0.434 0.000 0.961 262 S CB 1.343 64.060 63.200 -0.805 0.000 1.062 262 S HN 0.485 nan 8.310 nan 0.000 0.483 263 N N 2.314 120.874 118.700 -0.233 0.000 2.426 263 N HA 0.384 5.124 4.740 0.001 0.000 0.257 263 N C -1.336 174.069 175.510 -0.175 0.000 1.002 263 N CA -0.148 52.805 53.050 -0.162 0.000 0.942 263 N CB 0.394 38.825 38.487 -0.093 0.000 1.112 263 N HN 0.519 nan 8.380 nan 0.000 0.499 264 I N 2.936 123.372 120.570 -0.223 0.000 2.404 264 I HA 0.318 4.489 4.170 0.001 0.000 0.293 264 I C -0.213 175.737 176.117 -0.278 0.000 0.992 264 I CA -0.664 60.439 61.300 -0.327 0.000 1.149 264 I CB 1.716 39.415 38.000 -0.502 0.000 1.315 264 I HN 0.259 nan 8.210 nan 0.000 0.446 265 K N 4.129 124.360 120.400 -0.282 0.000 2.324 265 K HA 0.638 4.958 4.320 0.001 0.000 0.253 265 K C -0.639 175.815 176.600 -0.243 0.000 0.932 265 K CA -0.753 55.406 56.287 -0.214 0.000 0.799 265 K CB 2.414 34.819 32.500 -0.159 0.000 1.154 265 K HN 0.692 nan 8.250 nan 0.000 0.425 266 T N -1.021 113.406 114.554 -0.212 0.000 2.908 266 T HA 0.516 4.866 4.350 0.001 0.000 0.290 266 T C -1.022 173.679 174.700 0.002 0.000 1.034 266 T CA -0.785 61.157 62.100 -0.264 0.000 1.010 266 T CB 1.580 69.941 68.868 -0.844 0.000 1.068 266 T HN 0.708 nan 8.240 nan 0.000 0.481 267 H N -0.332 118.759 119.070 0.036 0.000 3.046 267 H HA 0.709 5.265 4.556 0.001 0.000 0.361 267 H C -1.553 173.933 175.328 0.262 0.000 1.235 267 H CA -0.022 56.102 56.048 0.127 0.000 1.146 267 H CB 1.828 31.636 29.762 0.077 0.000 1.859 267 H HN 1.150 nan 8.280 nan 0.000 0.548 268 A N 3.668 126.238 122.820 -0.418 0.000 2.475 268 A HA 0.744 5.064 4.320 0.001 0.000 0.301 268 A C -1.425 175.971 177.584 -0.314 0.000 1.059 268 A CA -0.580 51.306 52.037 -0.252 0.000 0.710 268 A CB 1.015 19.854 19.000 -0.268 0.000 1.288 268 A HN 0.541 nan 8.150 nan 0.000 0.408 269 I N 1.069 121.644 120.570 0.009 0.000 2.647 269 I HA 0.672 4.843 4.170 0.001 0.000 0.295 269 I C 0.537 176.819 176.117 0.274 0.000 1.078 269 I CA -0.133 61.238 61.300 0.119 0.000 1.048 269 I CB 2.193 40.279 38.000 0.143 0.000 1.239 269 I HN 1.380 nan 8.210 nan 0.000 0.421 270 G N 3.221 112.158 108.800 0.229 0.000 2.758 270 G HA2 0.386 4.346 3.960 0.001 0.000 0.686 270 G HA3 0.386 4.346 3.960 0.001 0.000 0.686 270 G C -0.024 175.040 174.900 0.274 0.000 1.389 270 G CA -0.221 44.995 45.100 0.192 0.000 0.845 270 G HN 1.751 nan 8.290 nan 0.000 0.572 271 G N -0.228 108.590 108.800 0.030 0.000 2.782 271 G HA2 0.298 4.259 3.960 0.001 0.000 0.228 271 G HA3 0.298 4.259 3.960 0.001 0.000 0.228 271 G C -0.211 174.769 174.900 0.133 0.000 1.372 271 G CA 0.913 45.966 45.100 -0.077 0.000 0.862 271 G HN 2.048 nan 8.290 nan 0.000 0.547 272 D N 0.442 120.960 120.400 0.197 0.000 2.494 272 D HA 0.381 5.022 4.640 0.001 0.000 0.217 272 D C 1.738 178.209 176.300 0.286 0.000 1.153 272 D CA -0.335 53.804 54.000 0.231 0.000 0.954 272 D CB -0.056 40.890 40.800 0.243 0.000 1.034 272 D HN 0.404 nan 8.370 nan 0.000 0.518 273 L N 2.049 123.414 121.223 0.236 0.000 2.610 273 L HA -0.050 4.291 4.340 0.001 0.000 0.232 273 L C 2.226 179.156 176.870 0.099 0.000 1.149 273 L CA 0.341 55.306 54.840 0.210 0.000 0.872 273 L CB -0.150 42.017 42.059 0.180 0.000 0.992 273 L HN 0.302 nan 8.230 nan 0.000 0.447 274 S N -0.674 115.054 115.700 0.047 0.000 2.470 274 S HA -0.032 4.439 4.470 0.001 0.000 0.225 274 S C 2.002 176.544 174.600 -0.098 0.000 1.006 274 S CA 0.208 58.402 58.200 -0.010 0.000 0.934 274 S CB 0.084 63.278 63.200 -0.010 0.000 0.778 274 S HN 0.420 nan 8.310 nan 0.000 0.517 275 R N -1.002 119.365 120.500 -0.221 0.000 2.191 275 R HA 0.411 4.751 4.340 0.001 0.000 0.196 275 R C -0.591 175.356 176.300 -0.589 0.000 0.991 275 R CA 0.301 56.067 56.100 -0.557 0.000 1.075 275 R CB 0.279 29.958 30.300 -1.036 0.000 1.040 275 R HN 0.371 nan 8.270 nan 0.000 0.526 276 F N -0.067 119.953 119.950 0.118 0.000 2.598 276 F HA 0.421 4.948 4.527 0.001 0.000 0.327 276 F C -0.419 175.477 175.800 0.159 0.000 1.057 276 F CA -1.500 56.593 58.000 0.154 0.000 0.957 276 F CB 1.326 40.451 39.000 0.209 0.000 1.278 276 F HN -0.254 nan 8.300 nan 0.000 0.484 277 D N 1.073 121.663 120.400 0.317 0.000 2.764 277 D HA 0.279 4.920 4.640 0.001 0.000 0.227 277 D C -2.244 174.036 176.300 -0.032 0.000 1.347 277 D CA -2.051 52.001 54.000 0.087 0.000 0.953 277 D CB 2.436 43.306 40.800 0.116 0.000 1.476 277 D HN 0.075 nan 8.370 nan 0.000 0.585 278 P HA -0.052 nan 4.420 nan 0.000 0.219 278 P C 0.939 178.037 177.300 -0.337 0.000 1.146 278 P CA 0.769 63.618 63.100 -0.418 0.000 0.808 278 P CB 0.059 31.158 31.700 -1.000 0.000 0.779 279 F N -0.677 119.256 119.950 -0.029 0.000 2.693 279 F HA 0.352 4.880 4.527 0.001 0.000 0.303 279 F C 2.342 178.100 175.800 -0.070 0.000 1.097 279 F CA 0.051 58.024 58.000 -0.045 0.000 1.330 279 F CB -0.913 38.130 39.000 0.071 0.000 1.067 279 F HN -0.091 nan 8.300 nan 0.000 0.565 280 G N 0.207 109.068 108.800 0.102 0.000 2.462 280 G HA2 -0.119 3.841 3.960 0.001 0.000 0.220 280 G HA3 -0.119 3.841 3.960 0.001 0.000 0.220 280 G C 1.716 176.640 174.900 0.039 0.000 1.121 280 G CA 0.916 46.068 45.100 0.086 0.000 0.758 280 G HN 0.488 nan 8.290 nan 0.000 0.559 281 G N -0.485 108.312 108.800 -0.005 0.000 3.863 281 G HA2 0.527 4.487 3.960 0.001 0.000 0.290 281 G HA3 0.527 4.487 3.960 0.001 0.000 0.290 281 G C 0.461 175.284 174.900 -0.128 0.000 1.018 281 G CA 0.550 45.627 45.100 -0.038 0.000 0.824 281 G HN 0.570 nan 8.290 nan 0.000 0.507 282 A N 0.308 122.984 122.820 -0.241 0.000 2.498 282 A HA 0.561 4.882 4.320 0.001 0.000 0.239 282 A C 0.421 177.743 177.584 -0.438 0.000 1.068 282 A CA 0.583 52.262 52.037 -0.597 0.000 0.766 282 A CB 0.501 18.744 19.000 -1.260 0.000 1.003 282 A HN 0.350 nan 8.150 nan 0.000 0.497 283 T N 0.319 114.666 114.554 -0.345 0.000 2.841 283 T HA 0.576 4.926 4.350 0.001 0.000 0.285 283 T C 0.590 175.446 174.700 0.259 0.000 0.991 283 T CA 0.202 62.297 62.100 -0.008 0.000 0.966 283 T CB 0.945 69.810 68.868 -0.004 0.000 0.962 283 T HN 1.161 nan 8.240 nan 0.000 0.438 284 S N 2.679 118.579 115.700 0.333 0.000 2.597 284 S HA 0.665 5.135 4.470 0.001 0.000 0.224 284 S C 0.978 175.690 174.600 0.188 0.000 0.955 284 S CA -0.011 58.395 58.200 0.343 0.000 0.933 284 S CB -0.111 63.273 63.200 0.307 0.000 0.788 284 S HN 1.151 nan 8.310 nan 0.000 0.488 285 A N 1.364 124.268 122.820 0.140 0.000 2.462 285 A HA 0.399 4.720 4.320 0.001 0.000 0.243 285 A C 0.803 178.438 177.584 0.085 0.000 1.076 285 A CA -0.126 51.966 52.037 0.092 0.000 0.773 285 A CB 0.244 19.283 19.000 0.066 0.000 1.010 285 A HN 0.333 nan 8.150 nan 0.000 0.493 286 D N 1.000 121.442 120.400 0.069 0.000 2.087 286 D HA -0.002 4.638 4.640 0.001 0.000 0.192 286 D C 1.234 177.565 176.300 0.051 0.000 0.993 286 D CA 2.318 56.355 54.000 0.062 0.000 0.828 286 D CB -0.193 40.637 40.800 0.051 0.000 0.968 286 D HN 0.831 nan 8.370 nan 0.000 0.448 287 Q N 1.619 121.443 119.800 0.041 0.000 2.607 287 Q HA 0.430 4.771 4.340 0.001 0.000 0.247 287 Q C -2.547 173.469 176.000 0.026 0.000 1.033 287 Q CA -1.570 54.251 55.803 0.030 0.000 0.769 287 Q CB 0.476 29.229 28.738 0.025 0.000 1.169 287 Q HN 0.100 nan 8.270 nan 0.000 0.508 288 P HA 0.228 nan 4.420 nan 0.000 0.271 288 P C 0.151 177.456 177.300 0.009 0.000 1.218 288 P CA 0.154 63.265 63.100 0.018 0.000 0.780 288 P CB 1.311 33.020 31.700 0.014 0.000 0.901 289 S N 1.056 116.760 115.700 0.008 0.000 2.608 289 S HA 0.318 4.789 4.470 0.001 0.000 0.261 289 S C 1.534 176.133 174.600 -0.002 0.000 1.314 289 S CA -0.066 58.136 58.200 0.004 0.000 0.992 289 S CB 0.336 63.540 63.200 0.006 0.000 0.935 289 S HN 0.553 nan 8.310 nan 0.000 0.564 290 A N 0.921 123.740 122.820 -0.002 0.000 1.908 290 A HA 0.035 4.355 4.320 0.001 0.000 0.218 290 A C 2.427 180.007 177.584 -0.006 0.000 1.181 290 A CA 2.082 54.116 52.037 -0.006 0.000 0.627 290 A CB -2.037 16.960 19.000 -0.004 0.000 0.818 290 A HN 1.202 nan 8.150 nan 0.000 0.445 291 E N 0.105 120.303 120.200 -0.002 0.000 2.106 291 E HA -0.215 4.136 4.350 0.001 0.000 0.192 291 E C 1.771 178.368 176.600 -0.004 0.000 0.984 291 E CA 1.495 57.894 56.400 -0.001 0.000 0.806 291 E CB -0.724 28.978 29.700 0.003 0.000 0.750 291 E HN 0.852 nan 8.360 nan 0.000 0.458 292 E N -0.354 119.843 120.200 -0.005 0.000 2.072 292 E HA -0.040 4.310 4.350 0.001 0.000 0.191 292 E C 2.257 178.843 176.600 -0.023 0.000 0.985 292 E CA 1.058 57.452 56.400 -0.009 0.000 0.801 292 E CB -0.205 29.494 29.700 -0.002 0.000 0.750 292 E HN 0.608 nan 8.360 nan 0.000 0.452 293 I N 1.118 121.673 120.570 -0.024 0.000 2.179 293 I HA -0.268 3.902 4.170 0.001 0.000 0.242 293 I C 2.549 178.644 176.117 -0.036 0.000 1.088 293 I CA 0.971 62.248 61.300 -0.039 0.000 1.357 293 I CB -0.310 37.669 38.000 -0.035 0.000 1.051 293 I HN 0.082 nan 8.210 nan 0.000 0.409 294 A N 0.759 123.566 122.820 -0.022 0.000 1.908 294 A HA -0.184 4.136 4.320 0.001 0.000 0.218 294 A C 2.534 180.113 177.584 -0.008 0.000 1.181 294 A CA 1.965 53.994 52.037 -0.013 0.000 0.627 294 A CB -0.853 18.143 19.000 -0.007 0.000 0.818 294 A HN 0.441 nan 8.150 nan 0.000 0.445 295 A N -0.264 122.551 122.820 -0.009 0.000 1.930 295 A HA 0.202 4.523 4.320 0.001 0.000 0.217 295 A C 2.497 180.074 177.584 -0.012 0.000 1.175 295 A CA 1.969 54.004 52.037 -0.003 0.000 0.627 295 A CB -0.966 18.033 19.000 -0.002 0.000 0.815 295 A HN 1.025 nan 8.150 nan 0.000 0.443 296 A N -0.205 122.590 122.820 -0.041 0.000 1.877 296 A HA -0.177 4.144 4.320 0.001 0.000 0.216 296 A C 2.151 179.711 177.584 -0.039 0.000 1.186 296 A CA 2.002 53.992 52.037 -0.078 0.000 0.620 296 A CB -0.464 18.455 19.000 -0.136 0.000 0.822 296 A HN 0.523 nan 8.150 nan 0.000 0.443 297 K N -0.272 120.112 120.400 -0.026 0.000 2.097 297 K HA -0.153 4.168 4.320 0.001 0.000 0.205 297 K C 2.204 178.851 176.600 0.078 0.000 1.050 297 K CA 1.599 57.900 56.287 0.024 0.000 0.938 297 K CB -0.148 32.350 32.500 -0.003 0.000 0.718 297 K HN 0.448 nan 8.250 nan 0.000 0.442 298 K N 0.197 120.622 120.400 0.040 0.000 2.026 298 K HA -0.133 4.187 4.320 0.001 0.000 0.208 298 K C 1.964 178.593 176.600 0.049 0.000 1.048 298 K CA 1.304 57.612 56.287 0.035 0.000 0.929 298 K CB -0.167 32.349 32.500 0.026 0.000 0.713 298 K HN 0.192 nan 8.250 nan 0.000 0.439 299 A N 0.718 123.580 122.820 0.070 0.000 1.933 299 A HA -0.173 4.148 4.320 0.001 0.000 0.218 299 A C 1.974 179.631 177.584 0.121 0.000 1.175 299 A CA 1.324 53.420 52.037 0.099 0.000 0.628 299 A CB -0.741 18.308 19.000 0.080 0.000 0.814 299 A HN 0.516 nan 8.150 nan 0.000 0.444 300 F N 0.821 120.758 119.950 -0.023 0.000 2.113 300 F HA -0.110 4.418 4.527 0.001 0.000 0.297 300 F C 2.252 178.102 175.800 0.083 0.000 1.103 300 F CA 1.989 59.996 58.000 0.012 0.000 1.248 300 F CB -0.077 38.884 39.000 -0.065 0.000 0.999 300 F HN 0.194 nan 8.300 nan 0.000 0.475 301 E N 0.435 120.627 120.200 -0.013 0.000 2.106 301 E HA -0.186 4.165 4.350 0.001 0.000 0.192 301 E C 1.890 178.325 176.600 -0.274 0.000 0.984 301 E CA 1.361 57.665 56.400 -0.161 0.000 0.806 301 E CB -0.570 29.104 29.700 -0.044 0.000 0.750 301 E HN 0.483 nan 8.360 nan 0.000 0.458 302 D N -0.053 120.200 120.400 -0.246 0.000 2.097 302 D HA -0.163 4.477 4.640 0.001 0.000 0.195 302 D C 1.649 177.476 176.300 -0.787 0.000 0.989 302 D CA 0.804 54.496 54.000 -0.513 0.000 0.827 302 D CB -0.535 40.042 40.800 -0.373 0.000 0.966 302 D HN 0.284 nan 8.370 nan 0.000 0.456 303 W N 2.288 123.248 121.300 -0.566 0.000 2.355 303 W HA -0.133 4.527 4.660 0.001 0.000 0.309 303 W C 2.218 178.503 176.519 -0.390 0.000 1.206 303 W CA 1.537 58.653 57.345 -0.383 0.000 1.284 303 W CB -0.155 29.189 29.460 -0.193 0.000 1.145 303 W HN -0.164 nan 8.180 nan 0.000 0.502 304 K N 0.313 120.306 120.400 -0.679 0.000 2.063 304 K HA -0.207 4.113 4.320 0.001 0.000 0.208 304 K C 2.081 178.332 176.600 -0.582 0.000 1.048 304 K CA 1.795 57.547 56.287 -0.891 0.000 0.928 304 K CB -0.570 31.437 32.500 -0.822 0.000 0.713 304 K HN 0.181 nan 8.250 nan 0.000 0.442 305 A N 0.648 123.182 122.820 -0.477 0.000 2.121 305 A HA -0.100 4.221 4.320 0.001 0.000 0.218 305 A C 1.918 179.321 177.584 -0.302 0.000 1.154 305 A CA 1.794 53.634 52.037 -0.327 0.000 0.679 305 A CB -0.395 18.422 19.000 -0.304 0.000 0.795 305 A HN 0.531 nan 8.150 nan 0.000 0.458 306 S N -1.238 114.216 115.700 -0.410 0.000 2.548 306 S HA 0.064 4.534 4.470 0.001 0.000 0.215 306 S C 1.502 175.950 174.600 -0.254 0.000 0.976 306 S CA 0.757 58.807 58.200 -0.250 0.000 0.908 306 S CB -0.206 62.928 63.200 -0.110 0.000 0.781 306 S HN 0.159 nan 8.310 nan 0.000 0.519 307 V N 2.969 122.644 119.914 -0.399 0.000 2.307 307 V HA -0.003 4.117 4.120 0.001 0.000 0.245 307 V C -0.477 175.469 176.094 -0.246 0.000 1.045 307 V CA 1.604 63.677 62.300 -0.379 0.000 1.024 307 V CB -1.595 29.926 31.823 -0.504 0.000 0.651 307 V HN 0.366 nan 8.190 nan 0.000 0.449 308 P HA -0.131 nan 4.420 nan 0.000 0.216 308 P C 1.128 178.380 177.300 -0.080 0.000 1.150 308 P CA 1.435 64.451 63.100 -0.140 0.000 0.843 308 P CB -0.096 31.547 31.700 -0.095 0.000 0.787 309 N N -1.522 117.136 118.700 -0.070 0.000 2.398 309 N HA 0.147 4.887 4.740 0.001 0.000 0.188 309 N C 0.341 175.839 175.510 -0.019 0.000 1.122 309 N CA 0.380 53.409 53.050 -0.035 0.000 0.866 309 N CB 0.170 38.644 38.487 -0.023 0.000 0.970 309 N HN 0.025 nan 8.380 nan 0.000 0.462 310 A N 0.858 123.655 122.820 -0.038 0.000 3.453 310 A HA 0.305 4.625 4.320 0.001 0.000 0.262 310 A C -2.664 174.902 177.584 -0.029 0.000 1.026 310 A CA -0.882 51.148 52.037 -0.012 0.000 0.938 310 A CB 0.681 19.688 19.000 0.012 0.000 1.246 310 A HN -0.119 nan 8.150 nan 0.000 0.546 311 P HA 0.435 nan 4.420 nan 0.000 0.277 311 P C -0.413 176.874 177.300 -0.023 0.000 1.240 311 P CA 0.314 63.372 63.100 -0.069 0.000 0.798 311 P CB 1.375 33.032 31.700 -0.073 0.000 0.979 312 E N 0.153 120.331 120.200 -0.037 0.000 2.410 312 E HA 0.387 4.737 4.350 0.001 0.000 0.269 312 E C -0.839 175.733 176.600 -0.046 0.000 0.937 312 E CA -1.281 55.120 56.400 0.002 0.000 0.793 312 E CB 1.504 31.236 29.700 0.054 0.000 1.314 312 E HN 0.255 nan 8.360 nan 0.000 0.447 313 L N 2.242 123.451 121.223 -0.023 0.000 2.477 313 L HA 0.032 4.372 4.340 0.001 0.000 0.272 313 L C 0.225 177.050 176.870 -0.075 0.000 1.157 313 L CA 0.591 55.391 54.840 -0.067 0.000 0.889 313 L CB 0.657 42.692 42.059 -0.039 0.000 1.158 313 L HN 0.554 nan 8.230 nan 0.000 0.473 314 V N 0.911 120.752 119.914 -0.122 0.000 3.480 314 V HA 0.550 4.670 4.120 0.001 0.000 0.263 314 V C 0.362 176.366 176.094 -0.149 0.000 1.442 314 V CA -0.005 62.245 62.300 -0.083 0.000 1.053 314 V CB 0.043 31.855 31.823 -0.018 0.000 0.846 314 V HN 0.789 nan 8.190 nan 0.000 0.440 315 N N -0.686 117.865 118.700 -0.249 0.000 2.823 315 N HA 0.515 5.255 4.740 0.001 0.000 0.251 315 N C -1.694 173.568 175.510 -0.413 0.000 1.392 315 N CA -0.557 52.303 53.050 -0.316 0.000 0.864 315 N CB 1.749 40.195 38.487 -0.068 0.000 1.481 315 N HN 0.073 nan 8.380 nan 0.000 0.508 316 F N 1.297 121.119 119.950 -0.214 0.000 2.429 316 F HA 0.572 5.100 4.527 0.001 0.000 0.348 316 F C 1.447 177.194 175.800 -0.088 0.000 1.109 316 F CA -0.497 57.385 58.000 -0.196 0.000 1.232 316 F CB 0.350 39.204 39.000 -0.242 0.000 1.157 316 F HN 0.446 nan 8.300 nan 0.000 0.564 317 A N 1.913 124.803 122.820 0.117 0.000 2.327 317 A HA 0.152 4.473 4.320 0.001 0.000 0.255 317 A C 1.131 178.752 177.584 0.062 0.000 1.099 317 A CA -0.384 51.690 52.037 0.060 0.000 0.801 317 A CB 0.133 19.153 19.000 0.034 0.000 1.062 317 A HN 0.769 nan 8.150 nan 0.000 0.496 318 D N -0.263 120.157 120.400 0.033 0.000 2.224 318 D HA -0.002 4.638 4.640 0.001 0.000 0.205 318 D C 0.716 177.021 176.300 0.009 0.000 0.965 318 D CA 1.776 55.794 54.000 0.029 0.000 0.852 318 D CB -0.062 40.748 40.800 0.016 0.000 0.947 318 D HN 0.543 nan 8.370 nan 0.000 0.494 319 S N 0.122 115.817 115.700 -0.008 0.000 2.473 319 S HA 0.330 4.800 4.470 0.001 0.000 0.307 319 S C -0.013 174.570 174.600 -0.029 0.000 1.094 319 S CA -0.917 57.272 58.200 -0.018 0.000 1.070 319 S CB 1.568 64.754 63.200 -0.023 0.000 1.019 319 S HN 0.058 nan 8.310 nan 0.000 0.480 320 N N 2.025 120.697 118.700 -0.048 0.000 2.686 320 N HA -0.106 4.635 4.740 0.001 0.000 0.261 320 N C -1.925 173.518 175.510 -0.111 0.000 1.001 320 N CA 0.794 53.794 53.050 -0.084 0.000 0.764 320 N CB -0.919 37.529 38.487 -0.065 0.000 0.898 320 N HN 0.595 nan 8.380 nan 0.000 0.544 321 P HA -0.061 nan 4.420 nan 0.000 0.220 321 P C 0.514 177.666 177.300 -0.246 0.000 1.152 321 P CA 1.023 64.043 63.100 -0.134 0.000 0.812 321 P CB 0.579 32.193 31.700 -0.143 0.000 0.792 322 L N -0.652 120.353 121.223 -0.363 0.000 2.381 322 L HA 0.407 4.747 4.340 0.001 0.000 0.274 322 L C -0.311 176.313 176.870 -0.410 0.000 0.988 322 L CA -0.327 54.255 54.840 -0.429 0.000 0.824 322 L CB 2.349 44.070 42.059 -0.565 0.000 1.263 322 L HN -0.325 nan 8.230 nan 0.000 0.410 323 T N 1.397 115.532 114.554 -0.698 0.000 2.807 323 T HA 0.435 4.785 4.350 0.001 0.000 0.279 323 T C 0.411 174.416 174.700 -1.158 0.000 0.993 323 T CA -0.592 60.977 62.100 -0.884 0.000 0.970 323 T CB 1.719 69.901 68.868 -1.144 0.000 0.950 323 T HN 0.700 nan 8.240 nan 0.000 0.441 324 G N 1.576 109.533 108.800 -1.405 0.000 2.353 324 G HA2 0.242 4.203 3.960 0.001 0.000 0.239 324 G HA3 0.242 4.203 3.960 0.001 0.000 0.239 324 G C 1.298 175.234 174.900 -1.605 0.000 1.295 324 G CA -0.425 43.124 45.100 -2.586 0.000 0.884 324 G HN 0.925 nan 8.290 nan 0.000 0.537 325 I N -0.684 119.257 120.570 -1.047 0.000 2.614 325 I HA -0.052 4.119 4.170 0.001 0.000 0.258 325 I C 2.055 178.074 176.117 -0.162 0.000 1.189 325 I CA 0.769 61.914 61.300 -0.259 0.000 1.462 325 I CB -0.342 37.639 38.000 -0.031 0.000 1.092 325 I HN 0.757 nan 8.210 nan 0.000 0.442 326 W N 1.605 122.889 121.300 -0.027 0.000 2.421 326 W HA 0.033 4.693 4.660 0.001 0.000 0.270 326 W C 1.702 178.219 176.519 -0.004 0.000 1.233 326 W CA 0.596 57.940 57.345 -0.002 0.000 1.226 326 W CB -1.020 28.450 29.460 0.017 0.000 1.121 326 W HN -0.017 nan 8.180 nan 0.000 0.579 327 E N 1.315 121.390 120.200 -0.208 0.000 2.409 327 E HA -0.071 4.280 4.350 0.001 0.000 0.198 327 E C 1.847 178.456 176.600 0.015 0.000 1.024 327 E CA 0.858 57.232 56.400 -0.044 0.000 0.861 327 E CB -0.375 29.238 29.700 -0.146 0.000 0.788 327 E HN 0.521 nan 8.360 nan 0.000 0.521 328 L N -0.219 120.998 121.223 -0.009 0.000 2.591 328 L HA 0.068 4.409 4.340 0.001 0.000 0.228 328 L C 1.208 178.052 176.870 -0.044 0.000 1.133 328 L CA -0.321 54.485 54.840 -0.057 0.000 0.880 328 L CB 0.224 42.193 42.059 -0.151 0.000 1.033 328 L HN -0.001 nan 8.230 nan 0.000 0.450 329 C N 0.298 119.603 119.300 0.008 0.000 2.644 329 C HA 0.102 4.563 4.460 0.001 0.000 0.417 329 C C 2.206 177.200 174.990 0.007 0.000 1.304 329 C CA 0.162 59.186 59.018 0.010 0.000 2.035 329 C CB 0.794 28.568 27.740 0.056 0.000 2.673 329 C HN 0.578 nan 8.230 nan 0.000 0.602 330 S N 1.942 117.636 115.700 -0.011 0.000 2.470 330 S HA -0.008 4.462 4.470 0.001 0.000 0.225 330 S C 0.286 174.887 174.600 0.003 0.000 1.006 330 S CA 0.415 58.609 58.200 -0.010 0.000 0.934 330 S CB -0.168 63.017 63.200 -0.025 0.000 0.778 330 S HN 0.876 nan 8.310 nan 0.000 0.517 331 D N 2.054 122.458 120.400 0.007 0.000 2.317 331 D HA 0.235 4.875 4.640 0.001 0.000 0.234 331 D C 1.214 177.530 176.300 0.027 0.000 1.112 331 D CA -0.606 53.401 54.000 0.012 0.000 0.840 331 D CB 1.452 42.254 40.800 0.005 0.000 1.078 331 D HN 0.424 nan 8.370 nan 0.000 0.486 332 R N 1.721 122.238 120.500 0.028 0.000 2.148 332 R HA -0.062 4.279 4.340 0.001 0.000 0.227 332 R C 1.194 177.513 176.300 0.033 0.000 1.103 332 R CA 1.146 57.269 56.100 0.038 0.000 0.983 332 R CB -0.404 29.917 30.300 0.035 0.000 0.874 332 R HN 0.207 nan 8.270 nan 0.000 0.451 333 T N 0.670 115.237 114.554 0.022 0.000 2.777 333 T HA -0.164 4.187 4.350 0.001 0.000 0.266 333 T C 1.647 176.357 174.700 0.015 0.000 1.040 333 T CA 1.572 63.682 62.100 0.016 0.000 1.141 333 T CB -0.186 68.688 68.868 0.010 0.000 0.868 333 T HN 0.288 nan 8.240 nan 0.000 0.444 334 Q N 1.540 121.351 119.800 0.018 0.000 2.079 334 Q HA -0.006 4.334 4.340 0.001 0.000 0.200 334 Q C 2.178 178.204 176.000 0.043 0.000 0.974 334 Q CA 1.587 57.401 55.803 0.019 0.000 0.840 334 Q CB -0.229 28.516 28.738 0.011 0.000 0.898 334 Q HN 0.447 nan 8.270 nan 0.000 0.430 335 K N -0.640 119.802 120.400 0.070 0.000 2.020 335 K HA -0.202 4.119 4.320 0.001 0.000 0.212 335 K C 1.863 178.483 176.600 0.033 0.000 1.050 335 K CA 1.551 57.916 56.287 0.130 0.000 0.929 335 K CB -0.379 32.213 32.500 0.154 0.000 0.714 335 K HN 0.276 nan 8.250 nan 0.000 0.443 336 A N 1.442 124.266 122.820 0.006 0.000 1.930 336 A HA -0.184 4.136 4.320 0.001 0.000 0.217 336 A C 2.046 179.593 177.584 -0.061 0.000 1.175 336 A CA 1.762 53.774 52.037 -0.042 0.000 0.627 336 A CB -0.474 18.523 19.000 -0.006 0.000 0.815 336 A HN 0.448 nan 8.150 nan 0.000 0.443 337 K N -0.177 120.210 120.400 -0.022 0.000 2.026 337 K HA -0.089 4.231 4.320 0.001 0.000 0.208 337 K C 1.855 178.457 176.600 0.003 0.000 1.048 337 K CA 1.519 57.804 56.287 -0.004 0.000 0.929 337 K CB -0.321 32.180 32.500 0.001 0.000 0.713 337 K HN 0.463 nan 8.250 nan 0.000 0.439 338 L N 0.934 122.153 121.223 -0.006 0.000 2.056 338 L HA -0.145 4.195 4.340 0.001 0.000 0.207 338 L C 2.756 179.573 176.870 -0.088 0.000 1.078 338 L CA 1.344 56.225 54.840 0.069 0.000 0.749 338 L CB -0.433 41.743 42.059 0.195 0.000 0.901 338 L HN 0.265 nan 8.230 nan 0.000 0.433 339 K N 0.847 120.871 120.400 -0.627 0.000 2.032 339 K HA -0.268 4.052 4.320 0.001 0.000 0.209 339 K C 2.251 178.618 176.600 -0.388 0.000 1.048 339 K CA 1.706 57.271 56.287 -1.204 0.000 0.927 339 K CB -0.024 31.779 32.500 -1.161 0.000 0.712 339 K HN 0.086 nan 8.250 nan 0.000 0.441 340 K N -0.390 119.918 120.400 -0.153 0.000 2.057 340 K HA -0.253 4.068 4.320 0.001 0.000 0.207 340 K C 2.146 178.805 176.600 0.097 0.000 1.049 340 K CA 1.971 58.256 56.287 -0.003 0.000 0.931 340 K CB -0.239 32.271 32.500 0.016 0.000 0.714 340 K HN 0.307 nan 8.250 nan 0.000 0.440 341 H N -0.663 118.459 119.070 0.086 0.000 2.353 341 H HA -0.154 4.403 4.556 0.001 0.000 0.300 341 H C 1.787 177.325 175.328 0.350 0.000 1.090 341 H CA 2.162 58.330 56.048 0.199 0.000 1.327 341 H CB -0.261 29.614 29.762 0.188 0.000 1.383 341 H HN 0.285 nan 8.280 nan 0.000 0.508 342 F N 1.469 121.603 119.950 0.307 0.000 2.069 342 F HA -0.175 4.352 4.527 0.001 0.000 0.298 342 F C 2.216 178.094 175.800 0.130 0.000 1.113 342 F CA 2.115 60.234 58.000 0.198 0.000 1.214 342 F CB -0.238 38.653 39.000 -0.182 0.000 0.978 342 F HN 0.257 nan 8.300 nan 0.000 0.474 343 E N -0.945 119.339 120.200 0.140 0.000 2.150 343 E HA -0.157 4.194 4.350 0.001 0.000 0.193 343 E C 2.012 178.667 176.600 0.092 0.000 0.985 343 E CA 1.703 58.189 56.400 0.142 0.000 0.814 343 E CB -0.209 29.627 29.700 0.226 0.000 0.752 343 E HN 0.583 nan 8.360 nan 0.000 0.466 344 T N -3.085 111.490 114.554 0.035 0.000 2.990 344 T HA 0.147 4.498 4.350 0.001 0.000 0.249 344 T C 1.656 176.333 174.700 -0.038 0.000 1.039 344 T CA 0.026 62.136 62.100 0.016 0.000 1.036 344 T CB 0.435 69.315 68.868 0.020 0.000 0.994 344 T HN -0.061 nan 8.240 nan 0.000 0.489 345 V N -1.359 118.484 119.914 -0.118 0.000 3.134 345 V HA 0.322 4.442 4.120 0.001 0.000 0.222 345 V C 1.931 177.961 176.094 -0.107 0.000 1.247 345 V CA -0.082 62.110 62.300 -0.181 0.000 1.281 345 V CB -0.445 31.119 31.823 -0.431 0.000 1.169 345 V HN 0.517 nan 8.190 nan 0.000 0.512 346 W N 1.494 122.633 121.300 -0.268 0.000 2.408 346 W HA -0.005 4.655 4.660 0.000 0.000 0.311 346 W C 2.436 178.870 176.519 -0.141 0.000 1.190 346 W CA 2.404 59.719 57.345 -0.049 0.000 1.321 346 W CB -0.278 29.379 29.460 0.329 0.000 1.143 346 W HN 0.218 nan 8.180 nan 0.000 0.501 347 A N 0.743 123.432 122.820 -0.217 0.000 1.877 347 A HA -0.151 4.170 4.320 0.001 0.000 0.216 347 A C -0.195 177.206 177.584 -0.304 0.000 1.186 347 A CA 2.162 53.881 52.037 -0.530 0.000 0.620 347 A CB -2.158 15.936 19.000 -1.511 0.000 0.822 347 A HN 0.272 nan 8.150 nan 0.000 0.443 348 P HA -0.121 nan 4.420 nan 0.000 0.215 348 P C 1.738 178.963 177.300 -0.125 0.000 1.153 348 P CA 1.982 65.086 63.100 0.007 0.000 0.853 348 P CB -0.133 31.587 31.700 0.033 0.000 0.788 349 A N 0.031 122.732 122.820 -0.198 0.000 1.877 349 A HA -0.202 4.119 4.320 0.001 0.000 0.216 349 A C 2.192 179.549 177.584 -0.378 0.000 1.186 349 A CA 1.551 53.447 52.037 -0.235 0.000 0.620 349 A CB -1.110 17.767 19.000 -0.205 0.000 0.822 349 A HN 0.068 nan 8.150 nan 0.000 0.443 350 E N -0.295 119.521 120.200 -0.640 0.000 2.152 350 E HA -0.097 4.254 4.350 0.001 0.000 0.192 350 E C 2.288 178.341 176.600 -0.912 0.000 0.983 350 E CA 1.118 56.937 56.400 -0.969 0.000 0.818 350 E CB -0.536 28.179 29.700 -1.641 0.000 0.758 350 E HN 0.532 nan 8.360 nan 0.000 0.467 351 S N 0.599 115.970 115.700 -0.548 0.000 2.356 351 S HA -0.133 4.338 4.470 0.001 0.000 0.223 351 S C 2.088 176.593 174.600 -0.158 0.000 1.032 351 S CA 1.266 59.350 58.200 -0.193 0.000 1.005 351 S CB -0.100 63.125 63.200 0.042 0.000 0.867 351 S HN 0.307 nan 8.310 nan 0.000 0.449 352 A N 1.235 123.968 122.820 -0.146 0.000 1.948 352 A HA -0.144 4.176 4.320 0.001 0.000 0.220 352 A C 2.050 179.585 177.584 -0.083 0.000 1.177 352 A CA 1.784 53.775 52.037 -0.078 0.000 0.636 352 A CB -0.562 18.400 19.000 -0.063 0.000 0.815 352 A HN 0.651 nan 8.150 nan 0.000 0.449 353 K N -1.233 119.066 120.400 -0.169 0.000 2.362 353 K HA -0.042 4.278 4.320 0.001 0.000 0.200 353 K C 1.632 178.162 176.600 -0.117 0.000 1.046 353 K CA 1.100 57.294 56.287 -0.156 0.000 0.952 353 K CB -0.018 32.349 32.500 -0.221 0.000 0.753 353 K HN 0.255 nan 8.250 nan 0.000 0.466 354 R N 0.346 120.779 120.500 -0.112 0.000 2.362 354 R HA 0.123 4.463 4.340 0.001 0.000 0.227 354 R C 0.136 176.435 176.300 -0.002 0.000 0.905 354 R CA -0.155 55.920 56.100 -0.041 0.000 1.067 354 R CB 0.354 30.649 30.300 -0.009 0.000 1.078 354 R HN -0.033 nan 8.270 nan 0.000 0.516 355 R N 0.976 121.479 120.500 0.005 0.000 2.484 355 R HA 0.101 4.442 4.340 0.001 0.000 0.293 355 R C -0.829 175.478 176.300 0.011 0.000 1.023 355 R CA 0.211 56.300 56.100 -0.018 0.000 1.037 355 R CB 0.500 30.812 30.300 0.021 0.000 0.951 355 R HN -0.108 nan 8.270 nan 0.000 0.418 356 V N 5.250 125.076 119.914 -0.147 0.000 2.513 356 V HA 0.371 4.491 4.120 0.001 0.000 0.299 356 V C -0.242 175.649 176.094 -0.337 0.000 1.035 356 V CA -0.671 61.573 62.300 -0.094 0.000 0.889 356 V CB 1.618 33.405 31.823 -0.060 0.000 0.988 356 V HN 0.778 nan 8.190 nan 0.000 0.440 357 H N 1.507 120.614 119.070 0.062 0.000 2.865 357 H HA 0.683 5.239 4.556 0.001 0.000 0.372 357 H C 0.063 175.468 175.328 0.128 0.000 1.173 357 H CA -0.354 55.691 56.048 -0.004 0.000 1.147 357 H CB 2.215 31.847 29.762 -0.216 0.000 1.805 357 H HN 0.791 nan 8.280 nan 0.000 0.553 358 A N 1.636 124.631 122.820 0.291 0.000 2.445 358 A HA 0.096 4.416 4.320 0.001 0.000 0.242 358 A C -0.066 177.704 177.584 0.311 0.000 1.075 358 A CA -0.327 51.873 52.037 0.272 0.000 0.777 358 A CB -0.101 19.074 19.000 0.292 0.000 1.013 358 A HN 0.600 nan 8.150 nan 0.000 0.493 359 D N 0.338 120.879 120.400 0.235 0.000 2.449 359 D HA 0.363 5.003 4.640 0.001 0.000 0.236 359 D C -0.282 176.138 176.300 0.199 0.000 1.149 359 D CA 1.396 55.496 54.000 0.166 0.000 0.878 359 D CB 0.163 40.984 40.800 0.034 0.000 1.198 359 D HN 0.495 nan 8.370 nan 0.000 0.446 360 Y N -1.683 118.624 120.300 0.012 0.000 2.581 360 Y HA 0.580 5.130 4.550 0.001 0.000 0.345 360 Y C -0.629 175.241 175.900 -0.050 0.000 1.036 360 Y CA -1.447 56.644 58.100 -0.015 0.000 1.042 360 Y CB 0.546 39.053 38.460 0.079 0.000 1.289 360 Y HN 0.172 nan 8.280 nan 0.000 0.471 361 I N 3.169 123.737 120.570 -0.003 0.000 2.452 361 I HA 0.109 4.279 4.170 0.001 0.000 0.287 361 I C 0.054 176.142 176.117 -0.047 0.000 1.079 361 I CA 0.215 61.458 61.300 -0.095 0.000 1.387 361 I CB 0.723 38.668 38.000 -0.091 0.000 1.404 361 I HN 0.830 nan 8.210 nan 0.000 0.522 362 D N 2.842 123.168 120.400 -0.124 0.000 2.441 362 D HA 0.047 4.688 4.640 0.001 0.000 0.210 362 D C 0.013 176.263 176.300 -0.082 0.000 1.102 362 D CA 0.221 54.188 54.000 -0.055 0.000 0.840 362 D CB 0.641 41.390 40.800 -0.085 0.000 0.990 362 D HN 0.306 nan 8.370 nan 0.000 0.505 363 E N -0.463 119.678 120.200 -0.099 0.000 2.343 363 E HA 0.624 4.975 4.350 0.001 0.000 0.278 363 E C -0.996 175.578 176.600 -0.043 0.000 0.910 363 E CA -0.711 55.645 56.400 -0.074 0.000 0.757 363 E CB 2.552 32.269 29.700 0.028 0.000 1.218 363 E HN 0.235 nan 8.360 nan 0.000 0.435 364 I N 2.649 123.154 120.570 -0.108 0.000 2.499 364 I HA 0.592 4.762 4.170 0.001 0.000 0.288 364 I C -0.240 175.936 176.117 0.099 0.000 1.048 364 I CA -0.921 60.370 61.300 -0.016 0.000 1.062 364 I CB 1.523 39.425 38.000 -0.163 0.000 1.238 364 I HN 0.571 nan 8.210 nan 0.000 0.426 365 I N 3.945 124.616 120.570 0.169 0.000 2.689 365 I HA 0.717 4.887 4.170 0.001 0.000 0.299 365 I C -1.219 174.974 176.117 0.126 0.000 1.059 365 I CA -0.837 60.550 61.300 0.146 0.000 1.055 365 I CB 2.517 40.570 38.000 0.087 0.000 1.243 365 I HN 0.402 nan 8.210 nan 0.000 0.425 366 I N 3.249 123.885 120.570 0.109 0.000 2.533 366 I HA 0.855 5.025 4.170 0.001 0.000 0.290 366 I C 0.050 176.217 176.117 0.084 0.000 1.056 366 I CA -0.412 60.927 61.300 0.066 0.000 1.057 366 I CB 2.090 40.133 38.000 0.072 0.000 1.240 366 I HN 0.959 nan 8.210 nan 0.000 0.423 367 G N 5.175 114.018 108.800 0.072 0.000 2.576 367 G HA2 0.545 4.506 3.960 0.001 0.000 0.290 367 G HA3 0.545 4.506 3.960 0.001 0.000 0.290 367 G C -1.262 173.682 174.900 0.074 0.000 1.442 367 G CA -0.779 44.371 45.100 0.084 0.000 0.792 367 G HN 0.433 nan 8.290 nan 0.000 0.491 368 I N 0.967 121.576 120.570 0.065 0.000 2.587 368 I HA 0.154 4.325 4.170 0.001 0.000 0.284 368 I C 0.212 176.380 176.117 0.085 0.000 1.134 368 I CA 0.306 61.641 61.300 0.057 0.000 1.410 368 I CB 0.736 38.761 38.000 0.041 0.000 1.392 368 I HN 0.432 nan 8.210 nan 0.000 0.545 369 N N 4.745 123.501 118.700 0.095 0.000 2.581 369 N HA 0.234 4.975 4.740 0.001 0.000 0.279 369 N C 0.354 175.921 175.510 0.096 0.000 1.124 369 N CA -0.462 52.666 53.050 0.130 0.000 0.833 369 N CB 0.654 39.309 38.487 0.280 0.000 1.338 369 N HN 0.400 nan 8.380 nan 0.000 0.533 370 N N 0.170 118.910 118.700 0.066 0.000 2.309 370 N HA -0.106 4.635 4.740 0.001 0.000 0.182 370 N C 1.317 176.858 175.510 0.052 0.000 1.018 370 N CA 1.413 54.492 53.050 0.048 0.000 0.876 370 N CB 0.069 38.575 38.487 0.032 0.000 0.972 370 N HN 0.658 nan 8.380 nan 0.000 0.434 371 T N -3.484 111.108 114.554 0.064 0.000 3.054 371 T HA 0.127 4.478 4.350 0.001 0.000 0.255 371 T C 0.577 175.333 174.700 0.093 0.000 1.035 371 T CA -0.263 61.874 62.100 0.061 0.000 0.941 371 T CB 0.001 68.894 68.868 0.041 0.000 1.026 371 T HN -0.012 nan 8.240 nan 0.000 0.533 372 N N 1.592 120.380 118.700 0.148 0.000 2.721 372 N HA -0.141 4.599 4.740 0.001 0.000 0.249 372 N C -1.071 174.610 175.510 0.285 0.000 1.072 372 N CA 0.945 54.145 53.050 0.249 0.000 0.710 372 N CB -1.809 36.767 38.487 0.149 0.000 0.993 372 N HN 0.600 nan 8.380 nan 0.000 0.547 373 T N 1.669 116.316 114.554 0.155 0.000 2.728 373 T HA 0.426 4.776 4.350 0.001 0.000 0.296 373 T C -2.322 172.182 174.700 -0.327 0.000 0.940 373 T CA -0.984 61.110 62.100 -0.009 0.000 1.013 373 T CB 1.602 70.451 68.868 -0.033 0.000 0.912 373 T HN 0.092 nan 8.240 nan 0.000 0.484 374 P HA 0.279 nan 4.420 nan 0.000 0.271 374 P C -2.404 174.582 177.300 -0.523 0.000 1.218 374 P CA -1.357 61.180 63.100 -0.939 0.000 0.780 374 P CB -0.356 31.165 31.700 -0.298 0.000 0.901 375 P HA 0.155 nan 4.420 nan 0.000 0.270 375 P C -0.082 177.192 177.300 -0.043 0.000 1.223 375 P CA 0.086 63.016 63.100 -0.283 0.000 0.785 375 P CB -0.089 31.363 31.700 -0.412 0.000 0.923 376 E N 0.664 120.867 120.200 0.004 0.000 2.558 376 E HA 0.318 4.669 4.350 0.001 0.000 0.255 376 E C 1.368 178.072 176.600 0.173 0.000 0.968 376 E CA 0.407 56.843 56.400 0.061 0.000 0.939 376 E CB -1.368 28.352 29.700 0.032 0.000 0.921 376 E HN 0.894 nan 8.360 nan 0.000 0.477 377 G N 1.243 110.121 108.800 0.132 0.000 2.217 377 G HA2 -0.252 3.709 3.960 0.001 0.000 0.246 377 G HA3 -0.252 3.709 3.960 0.001 0.000 0.246 377 G C 0.303 175.259 174.900 0.093 0.000 0.990 377 G CA 0.385 45.559 45.100 0.123 0.000 0.627 377 G HN 0.739 nan 8.290 nan 0.000 0.522 378 Y N 0.873 121.200 120.300 0.046 0.000 2.354 378 Y HA 0.666 5.216 4.550 0.001 0.000 0.322 378 Y C 1.124 177.034 175.900 0.017 0.000 1.253 378 Y CA -0.397 57.732 58.100 0.047 0.000 1.272 378 Y CB 1.030 39.500 38.460 0.017 0.000 1.255 378 Y HN 0.411 nan 8.280 nan 0.000 0.500 379 I N -0.629 120.066 120.570 0.209 0.000 2.646 379 I HA 0.887 5.057 4.170 0.001 0.000 0.299 379 I C 0.070 176.379 176.117 0.319 0.000 1.036 379 I CA -0.931 60.477 61.300 0.180 0.000 1.074 379 I CB 1.922 39.965 38.000 0.071 0.000 1.258 379 I HN 0.614 nan 8.210 nan 0.000 0.430 380 G N 3.834 112.819 108.800 0.309 0.000 2.476 380 G HA2 0.496 4.457 3.960 0.001 0.000 0.286 380 G HA3 0.496 4.457 3.960 0.001 0.000 0.286 380 G C -0.870 174.095 174.900 0.109 0.000 1.177 380 G CA -0.742 44.552 45.100 0.322 0.000 0.870 380 G HN 0.673 nan 8.290 nan 0.000 0.528 381 L N 0.128 121.349 121.223 -0.004 0.000 2.416 381 L HA 0.465 4.805 4.340 0.001 0.000 0.272 381 L C 0.227 177.082 176.870 -0.026 0.000 1.161 381 L CA 0.274 55.097 54.840 -0.029 0.000 0.845 381 L CB 0.491 42.501 42.059 -0.082 0.000 1.119 381 L HN 0.464 nan 8.230 nan 0.000 0.464 382 K N 2.436 122.824 120.400 -0.020 0.000 2.375 382 K HA 0.455 4.776 4.320 0.001 0.000 0.249 382 K C 0.182 176.750 176.600 -0.052 0.000 0.942 382 K CA -0.126 56.143 56.287 -0.029 0.000 0.806 382 K CB 1.968 34.464 32.500 -0.006 0.000 1.227 382 K HN 0.746 nan 8.250 nan 0.000 0.430 383 S N 0.221 115.879 115.700 -0.069 0.000 2.500 383 S HA 0.025 4.495 4.470 0.001 0.000 0.174 383 S C 1.907 176.477 174.600 -0.050 0.000 0.857 383 S CA 0.871 59.027 58.200 -0.074 0.000 0.905 383 S CB -0.808 62.334 63.200 -0.096 0.000 0.819 383 S HN 0.755 nan 8.310 nan 0.000 0.557 384 T N 0.379 114.909 114.554 -0.040 0.000 3.034 384 T HA 0.615 4.966 4.350 0.001 0.000 0.248 384 T C 0.821 175.510 174.700 -0.019 0.000 1.040 384 T CA 1.174 63.257 62.100 -0.028 0.000 1.107 384 T CB -0.406 68.449 68.868 -0.023 0.000 0.932 384 T HN 0.855 nan 8.240 nan 0.000 0.474 385 K N 1.140 121.529 120.400 -0.019 0.000 2.261 385 K HA 0.617 4.937 4.320 0.001 0.000 0.242 385 K C -1.381 175.213 176.600 -0.011 0.000 1.083 385 K CA -0.592 55.690 56.287 -0.008 0.000 0.880 385 K CB -0.140 32.359 32.500 -0.003 0.000 1.353 385 K HN 0.223 nan 8.250 nan 0.000 0.486 386 D N 2.293 122.695 120.400 0.004 0.000 2.450 386 D HA 0.173 4.814 4.640 0.001 0.000 0.247 386 D C -0.537 175.760 176.300 -0.006 0.000 1.162 386 D CA 0.665 54.671 54.000 0.010 0.000 0.879 386 D CB 0.778 41.600 40.800 0.037 0.000 1.163 386 D HN 0.392 nan 8.370 nan 0.000 0.472 387 E N 1.688 121.870 120.200 -0.031 0.000 2.340 387 E HA 0.240 4.591 4.350 0.001 0.000 0.273 387 E C -0.277 176.292 176.600 -0.052 0.000 0.891 387 E CA -0.872 55.498 56.400 -0.049 0.000 0.757 387 E CB 1.603 31.221 29.700 -0.137 0.000 1.231 387 E HN 0.251 nan 8.360 nan 0.000 0.439 388 N N 1.462 120.164 118.700 0.003 0.000 2.479 388 N HA -0.015 4.726 4.740 0.001 0.000 0.257 388 N C 1.089 176.622 175.510 0.039 0.000 1.232 388 N CA -0.152 52.905 53.050 0.013 0.000 0.920 388 N CB 1.070 39.592 38.487 0.059 0.000 1.105 388 N HN 0.374 nan 8.380 nan 0.000 0.444 389 L N 1.909 123.137 121.223 0.008 0.000 1.994 389 L HA -0.025 4.315 4.340 0.001 0.000 0.208 389 L C 0.443 177.437 176.870 0.207 0.000 1.071 389 L CA 1.792 56.677 54.840 0.074 0.000 0.745 389 L CB -0.395 41.677 42.059 0.022 0.000 0.892 389 L HN 0.559 nan 8.230 nan 0.000 0.431 390 N N -1.603 117.164 118.700 0.111 0.000 2.442 390 N HA 0.188 4.929 4.740 0.001 0.000 0.274 390 N C 0.483 176.017 175.510 0.041 0.000 1.002 390 N CA 0.244 53.339 53.050 0.074 0.000 0.910 390 N CB 1.651 40.171 38.487 0.055 0.000 1.244 390 N HN 0.056 nan 8.380 nan 0.000 0.492 391 S N 2.116 117.822 115.700 0.010 0.000 2.382 391 S HA -0.030 4.440 4.470 0.001 0.000 0.228 391 S C 0.518 175.109 174.600 -0.016 0.000 1.027 391 S CA 1.020 59.222 58.200 0.004 0.000 0.991 391 S CB -0.049 63.134 63.200 -0.029 0.000 0.823 391 S HN 0.512 nan 8.310 nan 0.000 0.469 392 K N 0.700 121.078 120.400 -0.037 0.000 2.339 392 K HA 0.342 4.662 4.320 0.001 0.000 0.286 392 K C 0.973 177.562 176.600 -0.018 0.000 1.050 392 K CA 0.514 56.780 56.287 -0.036 0.000 0.956 392 K CB 0.631 33.095 32.500 -0.059 0.000 0.990 392 K HN 0.306 nan 8.250 nan 0.000 0.475 393 G N 3.241 112.033 108.800 -0.013 0.000 2.184 393 G HA2 -0.310 3.651 3.960 0.001 0.000 0.264 393 G HA3 -0.310 3.651 3.960 0.001 0.000 0.264 393 G C -0.040 174.865 174.900 0.007 0.000 0.975 393 G CA 0.076 45.173 45.100 -0.004 0.000 0.642 393 G HN 0.863 nan 8.290 nan 0.000 0.536 394 N N -0.704 118.002 118.700 0.010 0.000 2.705 394 N HA -0.163 4.578 4.740 0.001 0.000 0.255 394 N C 0.365 175.886 175.510 0.017 0.000 1.008 394 N CA 1.511 54.572 53.050 0.019 0.000 0.742 394 N CB -0.898 37.605 38.487 0.027 0.000 0.906 394 N HN 0.598 nan 8.380 nan 0.000 0.541 395 I N 0.493 121.068 120.570 0.009 0.000 2.436 395 I HA 0.077 4.247 4.170 0.001 0.000 0.289 395 I C 1.049 177.137 176.117 -0.048 0.000 1.083 395 I CA -0.400 60.898 61.300 -0.004 0.000 1.372 395 I CB 0.138 38.139 38.000 0.003 0.000 1.408 395 I HN 0.135 nan 8.210 nan 0.000 0.516 396 C N 7.040 126.273 119.300 -0.113 0.000 2.456 396 C HA 0.614 5.074 4.460 0.001 0.000 0.325 396 C C 0.287 174.976 174.990 -0.502 0.000 1.217 396 C CA -0.863 57.952 59.018 -0.340 0.000 1.687 396 C CB 1.925 29.396 27.740 -0.449 0.000 2.270 396 C HN 0.711 nan 8.230 nan 0.000 0.499 397 L N 2.776 123.658 121.223 -0.568 0.000 2.322 397 L HA 0.779 5.119 4.340 0.001 0.000 0.281 397 L C -1.412 175.077 176.870 -0.635 0.000 1.014 397 L CA -0.008 54.577 54.840 -0.425 0.000 0.815 397 L CB 0.598 42.567 42.059 -0.150 0.000 1.247 397 L HN 0.590 nan 8.230 nan 0.000 0.421 398 F N 5.002 124.993 119.950 0.070 0.000 2.546 398 F HA 0.641 5.168 4.527 0.001 0.000 0.320 398 F C 0.139 176.060 175.800 0.202 0.000 1.076 398 F CA -0.771 57.303 58.000 0.123 0.000 0.928 398 F CB 2.053 41.113 39.000 0.100 0.000 1.189 398 F HN 0.371 nan 8.300 nan 0.000 0.465 399 M N 1.713 121.557 119.600 0.406 0.000 2.572 399 M HA 0.552 5.032 4.480 0.001 0.000 0.299 399 M C -1.827 174.530 176.300 0.096 0.000 1.205 399 M CA -0.604 54.839 55.300 0.238 0.000 0.876 399 M CB 2.834 35.473 32.600 0.066 0.000 1.728 399 M HN 0.699 nan 8.290 nan 0.000 0.458 400 H N 1.819 120.728 119.070 -0.268 0.000 2.469 400 H HA 0.524 5.081 4.556 0.001 0.000 0.342 400 H C -1.600 173.524 175.328 -0.341 0.000 1.115 400 H CA -0.431 55.286 56.048 -0.550 0.000 1.204 400 H CB 1.855 31.037 29.762 -0.968 0.000 1.492 400 H HN 0.765 nan 8.280 nan 0.000 0.499 401 K N 2.714 122.674 120.400 -0.734 0.000 2.206 401 K HA 0.554 4.874 4.320 0.001 0.000 0.264 401 K C -0.833 175.409 176.600 -0.596 0.000 0.967 401 K CA -0.846 55.130 56.287 -0.518 0.000 0.844 401 K CB 2.031 34.326 32.500 -0.343 0.000 1.099 401 K HN 0.570 nan 8.250 nan 0.000 0.441 402 A N 1.792 124.257 122.820 -0.592 0.000 2.312 402 A HA 0.632 4.952 4.320 0.001 0.000 0.328 402 A C -0.451 176.865 177.584 -0.446 0.000 1.158 402 A CA -0.723 50.982 52.037 -0.553 0.000 0.821 402 A CB 0.807 19.355 19.000 -0.754 0.000 1.170 402 A HN 0.683 nan 8.150 nan 0.000 0.490 403 K N 1.081 121.361 120.400 -0.201 0.000 2.211 403 K HA 0.523 4.844 4.320 0.001 0.000 0.275 403 K C -0.591 176.041 176.600 0.052 0.000 1.024 403 K CA -0.625 55.640 56.287 -0.037 0.000 0.887 403 K CB 0.557 33.035 32.500 -0.037 0.000 1.084 403 K HN 0.933 nan 8.250 nan 0.000 0.463 404 Y N 2.331 122.675 120.300 0.073 0.000 2.632 404 Y HA 0.284 4.835 4.550 0.001 0.000 0.329 404 Y C -0.138 175.757 175.900 -0.008 0.000 1.174 404 Y CA 0.295 58.403 58.100 0.013 0.000 1.469 404 Y CB 0.936 39.439 38.460 0.070 0.000 1.242 404 Y HN 0.745 nan 8.280 nan 0.000 0.540 405 D N 8.198 128.141 120.400 -0.761 0.000 2.620 405 D HA 0.320 4.961 4.640 0.001 0.000 0.252 405 D C -2.328 173.466 176.300 -0.845 0.000 1.207 405 D CA -2.531 51.104 54.000 -0.609 0.000 0.884 405 D CB 2.215 42.838 40.800 -0.296 0.000 1.262 405 D HN 0.268 nan 8.370 nan 0.000 0.552 406 P HA -0.030 nan 4.420 nan 0.000 0.222 406 P C 0.706 177.879 177.300 -0.210 0.000 1.147 406 P CA 0.731 63.602 63.100 -0.381 0.000 0.790 406 P CB 0.392 32.024 31.700 -0.112 0.000 0.780 407 N N -0.533 118.046 118.700 -0.202 0.000 2.415 407 N HA 0.014 4.755 4.740 0.001 0.000 0.176 407 N C 0.971 176.414 175.510 -0.111 0.000 1.042 407 N CA 0.447 53.420 53.050 -0.128 0.000 0.902 407 N CB 0.111 38.533 38.487 -0.109 0.000 0.986 407 N HN 0.246 nan 8.380 nan 0.000 0.447 408 I N -0.314 120.170 120.570 -0.143 0.000 2.707 408 I HA 0.369 4.540 4.170 0.001 0.000 0.309 408 I C -0.921 175.140 176.117 -0.094 0.000 1.001 408 I CA -0.489 60.748 61.300 -0.105 0.000 1.129 408 I CB 1.418 39.359 38.000 -0.099 0.000 1.308 408 I HN -0.276 nan 8.210 nan 0.000 0.466 409 D N 4.634 125.003 120.400 -0.052 0.000 2.363 409 D HA 0.151 4.791 4.640 0.001 0.000 0.263 409 D C -0.005 176.279 176.300 -0.026 0.000 1.258 409 D CA 0.258 54.245 54.000 -0.023 0.000 0.907 409 D CB 0.234 41.031 40.800 -0.006 0.000 1.107 409 D HN 0.436 nan 8.370 nan 0.000 0.495 410 N N 1.657 120.344 118.700 -0.021 0.000 2.525 410 N HA 0.105 4.846 4.740 0.001 0.000 0.271 410 N C 0.592 176.138 175.510 0.061 0.000 1.194 410 N CA -0.148 52.886 53.050 -0.027 0.000 0.964 410 N CB 0.743 39.141 38.487 -0.148 0.000 1.126 410 N HN 0.374 nan 8.380 nan 0.000 0.452 411 K N 1.257 121.716 120.400 0.099 0.000 2.436 411 K HA 0.017 4.338 4.320 0.001 0.000 0.275 411 K C -0.004 176.741 176.600 0.242 0.000 0.999 411 K CA -0.253 56.113 56.287 0.132 0.000 0.980 411 K CB -0.008 32.541 32.500 0.081 0.000 0.919 411 K HN 0.461 nan 8.250 nan 0.000 0.484 412 D N 0.384 120.886 120.400 0.170 0.000 2.548 412 D HA 0.076 4.717 4.640 0.001 0.000 0.231 412 D C 0.993 177.449 176.300 0.260 0.000 1.142 412 D CA 0.288 54.389 54.000 0.168 0.000 0.866 412 D CB 0.084 40.943 40.800 0.098 0.000 1.190 412 D HN 0.843 nan 8.370 nan 0.000 0.469 413 C N 1.239 120.660 119.300 0.202 0.000 2.380 413 C HA 0.793 5.254 4.460 0.001 0.000 0.393 413 C C 0.289 175.317 174.990 0.064 0.000 1.284 413 C CA -0.919 58.220 59.018 0.203 0.000 2.033 413 C CB 0.147 27.906 27.740 0.031 0.000 2.165 413 C HN 0.509 nan 8.230 nan 0.000 0.540 414 I N 1.439 122.023 120.570 0.022 0.000 2.433 414 I HA 0.359 4.529 4.170 0.001 0.000 0.292 414 I C 1.178 177.238 176.117 -0.094 0.000 1.001 414 I CA 0.023 61.294 61.300 -0.048 0.000 1.119 414 I CB 2.366 40.302 38.000 -0.107 0.000 1.289 414 I HN 1.010 nan 8.210 nan 0.000 0.438 415 T N 0.305 114.774 114.554 -0.141 0.000 2.990 415 T HA 0.288 4.638 4.350 0.001 0.000 0.249 415 T C 0.401 175.045 174.700 -0.094 0.000 1.039 415 T CA 0.039 62.063 62.100 -0.126 0.000 1.036 415 T CB 0.467 69.246 68.868 -0.148 0.000 0.994 415 T HN 0.607 nan 8.240 nan 0.000 0.489 416 E N -0.154 119.927 120.200 -0.198 0.000 2.392 416 E HA 0.629 4.980 4.350 0.001 0.000 0.279 416 E C -2.032 174.450 176.600 -0.197 0.000 0.964 416 E CA -0.875 55.444 56.400 -0.135 0.000 0.777 416 E CB 2.021 31.735 29.700 0.024 0.000 1.249 416 E HN 0.233 nan 8.360 nan 0.000 0.449 417 L N 2.609 123.676 121.223 -0.261 0.000 2.388 417 L HA 0.652 4.993 4.340 0.001 0.000 0.264 417 L C -0.676 176.200 176.870 0.009 0.000 0.998 417 L CA -0.788 53.962 54.840 -0.149 0.000 0.817 417 L CB 1.983 43.705 42.059 -0.563 0.000 1.338 417 L HN 0.548 nan 8.230 nan 0.000 0.414 418 K N 0.584 120.945 120.400 -0.064 0.000 2.555 418 K HA 0.634 4.955 4.320 0.001 0.000 0.279 418 K C -1.867 174.559 176.600 -0.290 0.000 0.986 418 K CA -0.830 55.328 56.287 -0.216 0.000 0.880 418 K CB 1.990 34.318 32.500 -0.287 0.000 1.474 418 K HN 0.143 nan 8.250 nan 0.000 0.433 419 F N 0.968 120.904 119.950 -0.023 0.000 2.458 419 F HA 0.549 5.076 4.527 0.001 0.000 0.330 419 F C 0.023 175.802 175.800 -0.035 0.000 1.082 419 F CA -1.069 56.924 58.000 -0.012 0.000 0.995 419 F CB 1.541 40.539 39.000 -0.002 0.000 1.170 419 F HN 0.292 nan 8.300 nan 0.000 0.478 420 I N 1.735 122.458 120.570 0.256 0.000 2.406 420 I HA 0.216 4.386 4.170 0.001 0.000 0.290 420 I C 0.333 176.563 176.117 0.188 0.000 0.999 420 I CA -0.312 61.082 61.300 0.157 0.000 1.124 420 I CB 2.107 40.170 38.000 0.104 0.000 1.289 420 I HN 0.706 nan 8.210 nan 0.000 0.441 421 T N 2.078 116.704 114.554 0.120 0.000 3.134 421 T HA 0.252 4.602 4.350 0.001 0.000 0.260 421 T C 0.170 174.956 174.700 0.144 0.000 1.027 421 T CA -0.305 61.859 62.100 0.107 0.000 0.913 421 T CB -0.429 68.485 68.868 0.076 0.000 1.046 421 T HN 0.327 nan 8.240 nan 0.000 0.553 422 V N -2.670 117.313 119.914 0.115 0.000 2.769 422 V HA 0.926 5.046 4.120 0.001 0.000 0.312 422 V C 1.615 177.658 176.094 -0.085 0.000 1.058 422 V CA -0.764 61.544 62.300 0.013 0.000 0.952 422 V CB 0.912 32.720 31.823 -0.024 0.000 1.019 422 V HN 0.247 nan 8.190 nan 0.000 0.445 423 R N 1.339 121.586 120.500 -0.422 0.000 2.088 423 R HA 0.067 4.408 4.340 0.001 0.000 0.232 423 R C 1.212 177.316 176.300 -0.326 0.000 1.136 423 R CA 2.313 57.940 56.100 -0.789 0.000 0.926 423 R CB -1.721 28.035 30.300 -0.908 0.000 0.837 423 R HN 1.562 nan 8.270 nan 0.000 0.429 424 D N -0.569 119.689 120.400 -0.236 0.000 2.502 424 D HA 0.563 5.204 4.640 0.001 0.000 0.301 424 D C -0.387 175.825 176.300 -0.148 0.000 1.202 424 D CA 0.312 54.204 54.000 -0.180 0.000 0.878 424 D CB 0.268 40.990 40.800 -0.130 0.000 1.062 424 D HN 0.915 nan 8.370 nan 0.000 0.499 425 K N 0.169 120.470 120.400 -0.166 0.000 2.513 425 K HA 0.804 5.124 4.320 0.001 0.000 0.251 425 K C -0.463 176.048 176.600 -0.148 0.000 0.939 425 K CA -0.688 55.522 56.287 -0.129 0.000 0.793 425 K CB 1.646 34.087 32.500 -0.099 0.000 1.241 425 K HN 0.391 nan 8.250 nan 0.000 0.431 426 S N 3.876 119.505 115.700 -0.119 0.000 2.489 426 S HA 0.693 5.163 4.470 0.001 0.000 0.291 426 S C -2.062 172.481 174.600 -0.094 0.000 1.151 426 S CA -1.086 57.048 58.200 -0.110 0.000 1.082 426 S CB 1.139 64.288 63.200 -0.086 0.000 1.019 426 S HN 0.750 nan 8.310 nan 0.000 0.492 427 P HA 0.367 nan 4.420 nan 0.000 0.275 427 P C -0.102 177.180 177.300 -0.030 0.000 1.228 427 P CA -0.271 62.755 63.100 -0.124 0.000 0.786 427 P CB 0.205 31.787 31.700 -0.197 0.000 0.927 428 E N 0.866 121.048 120.200 -0.031 0.000 2.392 428 E HA 0.476 4.827 4.350 0.001 0.000 0.256 428 E C 0.967 177.659 176.600 0.153 0.000 1.145 428 E CA 0.016 56.439 56.400 0.038 0.000 0.929 428 E CB -0.426 29.283 29.700 0.015 0.000 0.998 428 E HN 0.902 nan 8.360 nan 0.000 0.442 429 G N -0.787 108.077 108.800 0.106 0.000 2.527 429 G HA2 -0.136 3.824 3.960 0.001 0.000 0.268 429 G HA3 -0.136 3.824 3.960 0.001 0.000 0.268 429 G C 1.105 176.050 174.900 0.075 0.000 1.175 429 G CA 1.329 46.492 45.100 0.105 0.000 0.962 429 G HN 1.646 nan 8.290 nan 0.000 0.560 430 D N -0.216 120.198 120.400 0.023 0.000 2.349 430 D HA 0.376 5.016 4.640 0.001 0.000 0.215 430 D C 1.031 177.270 176.300 -0.101 0.000 1.016 430 D CA 0.753 54.714 54.000 -0.065 0.000 0.870 430 D CB -0.212 40.511 40.800 -0.128 0.000 0.917 430 D HN 0.586 nan 8.370 nan 0.000 0.524 431 W N -0.140 121.096 121.300 -0.107 0.000 2.231 431 W HA 0.371 5.032 4.660 0.001 0.000 0.341 431 W C 0.121 176.498 176.519 -0.238 0.000 1.298 431 W CA -0.127 57.119 57.345 -0.164 0.000 1.266 431 W CB 0.803 30.188 29.460 -0.124 0.000 1.172 431 W HN -0.012 nan 8.180 nan 0.000 0.568 432 V N 4.808 124.622 119.914 -0.168 0.000 2.448 432 V HA 0.230 4.351 4.120 0.001 0.000 0.295 432 V C 0.086 176.013 176.094 -0.278 0.000 1.025 432 V CA -1.647 60.439 62.300 -0.356 0.000 0.859 432 V CB 1.380 32.731 31.823 -0.787 0.000 0.988 432 V HN 0.326 nan 8.190 nan 0.000 0.431 433 K N 5.263 125.586 120.400 -0.129 0.000 2.248 433 K HA 0.486 4.806 4.320 0.001 0.000 0.281 433 K C -0.530 176.071 176.600 0.002 0.000 1.054 433 K CA -0.505 55.750 56.287 -0.054 0.000 0.903 433 K CB 0.827 33.267 32.500 -0.101 0.000 1.077 433 K HN 0.619 nan 8.250 nan 0.000 0.474 434 I N 7.904 128.543 120.570 0.115 0.000 2.517 434 I HA 0.019 4.189 4.170 0.001 0.000 0.285 434 I C -1.484 174.745 176.117 0.188 0.000 1.106 434 I CA -1.774 59.635 61.300 0.182 0.000 1.402 434 I CB 0.961 39.108 38.000 0.245 0.000 1.399 434 I HN 0.520 nan 8.210 nan 0.000 0.535 435 P HA -0.183 nan 4.420 nan 0.000 0.218 435 P C 0.246 177.718 177.300 0.287 0.000 1.148 435 P CA 0.860 64.045 63.100 0.141 0.000 0.822 435 P CB 0.088 31.845 31.700 0.094 0.000 0.784 436 Q N 1.135 121.081 119.800 0.244 0.000 2.286 436 Q HA 0.055 4.395 4.340 0.001 0.000 0.267 436 Q C -0.353 175.748 176.000 0.169 0.000 1.028 436 Q CA -0.060 55.861 55.803 0.197 0.000 0.901 436 Q CB -0.525 28.283 28.738 0.117 0.000 1.183 436 Q HN -0.071 nan 8.270 nan 0.000 0.392 437 D N 4.151 124.593 120.400 0.070 0.000 2.382 437 D HA -0.017 4.624 4.640 0.001 0.000 0.259 437 D C 0.524 176.708 176.300 -0.193 0.000 1.224 437 D CA 0.278 54.099 54.000 -0.299 0.000 0.894 437 D CB 0.458 41.142 40.800 -0.192 0.000 1.127 437 D HN 0.746 nan 8.370 nan 0.000 0.487 438 I N 3.352 123.757 120.570 -0.274 0.000 2.394 438 I HA -0.169 4.001 4.170 0.001 0.000 0.251 438 I C 0.662 176.736 176.117 -0.071 0.000 1.136 438 I CA 0.581 61.774 61.300 -0.178 0.000 1.425 438 I CB -0.129 37.722 38.000 -0.248 0.000 1.079 438 I HN 0.413 nan 8.210 nan 0.000 0.425 439 Y N 1.789 121.964 120.300 -0.208 0.000 2.452 439 Y HA 0.172 4.723 4.550 0.001 0.000 0.348 439 Y C 1.464 177.243 175.900 -0.201 0.000 0.985 439 Y CA -0.945 57.035 58.100 -0.201 0.000 1.214 439 Y CB 0.781 39.102 38.460 -0.232 0.000 1.136 439 Y HN 0.100 nan 8.280 nan 0.000 0.523 440 I N -0.524 120.049 120.570 0.004 0.000 3.111 440 I HA -0.002 4.168 4.170 0.001 0.000 0.272 440 I C 1.093 177.155 176.117 -0.093 0.000 1.268 440 I CA 0.119 61.389 61.300 -0.051 0.000 1.467 440 I CB -0.006 37.972 38.000 -0.036 0.000 1.087 440 I HN 0.334 nan 8.210 nan 0.000 0.467 441 S N 2.991 118.618 115.700 -0.121 0.000 2.546 441 S HA 0.134 4.604 4.470 0.001 0.000 0.290 441 S C -0.834 173.652 174.600 -0.189 0.000 1.290 441 S CA -0.911 57.197 58.200 -0.154 0.000 1.069 441 S CB 0.434 63.515 63.200 -0.198 0.000 0.846 441 S HN 0.254 nan 8.310 nan 0.000 0.495 442 P HA -0.026 nan 4.420 nan 0.000 0.229 442 P C 0.093 177.275 177.300 -0.196 0.000 1.160 442 P CA 0.840 63.843 63.100 -0.161 0.000 0.777 442 P CB -0.273 31.378 31.700 -0.082 0.000 0.814 443 N N -1.468 117.134 118.700 -0.164 0.000 2.214 443 N HA 0.063 4.803 4.740 0.001 0.000 0.214 443 N C 0.248 175.701 175.510 -0.095 0.000 1.132 443 N CA -0.137 52.858 53.050 -0.092 0.000 0.856 443 N CB 0.015 38.481 38.487 -0.035 0.000 1.020 443 N HN -0.005 nan 8.380 nan 0.000 0.509 444 Q N 0.302 119.956 119.800 -0.243 0.000 2.359 444 Q HA 0.357 4.698 4.340 0.001 0.000 0.274 444 Q C -1.446 174.404 176.000 -0.251 0.000 1.074 444 Q CA -0.399 55.346 55.803 -0.098 0.000 0.810 444 Q CB 2.165 30.852 28.738 -0.085 0.000 1.342 444 Q HN 0.288 nan 8.270 nan 0.000 0.427 445 Y N 0.982 121.345 120.300 0.105 0.000 2.462 445 Y HA 0.673 5.223 4.550 0.001 0.000 0.346 445 Y C -0.568 175.152 175.900 -0.300 0.000 0.976 445 Y CA -0.996 57.039 58.100 -0.108 0.000 1.044 445 Y CB 2.113 40.553 38.460 -0.034 0.000 1.230 445 Y HN 0.465 nan 8.280 nan 0.000 0.455 446 L N 3.918 124.807 121.223 -0.556 0.000 2.528 446 L HA 0.551 4.891 4.340 0.001 0.000 0.267 446 L C -2.222 174.304 176.870 -0.574 0.000 0.961 446 L CA -0.665 53.773 54.840 -0.669 0.000 0.866 446 L CB 0.924 42.189 42.059 -1.324 0.000 1.248 446 L HN 0.530 nan 8.230 nan 0.000 0.404 447 Y N 4.680 124.989 120.300 0.016 0.000 2.376 447 Y HA 0.606 5.156 4.550 0.001 0.000 0.340 447 Y C -0.410 175.649 175.900 0.265 0.000 0.965 447 Y CA -0.893 57.274 58.100 0.111 0.000 1.078 447 Y CB 2.006 40.513 38.460 0.078 0.000 1.193 447 Y HN 0.505 nan 8.280 nan 0.000 0.452 448 L N 3.697 125.163 121.223 0.406 0.000 2.331 448 L HA 0.556 4.897 4.340 0.001 0.000 0.278 448 L C -0.897 176.093 176.870 0.199 0.000 1.106 448 L CA -0.110 54.894 54.840 0.273 0.000 0.824 448 L CB 0.080 42.264 42.059 0.208 0.000 1.142 448 L HN 0.789 nan 8.230 nan 0.000 0.443 449 C N 4.965 124.338 119.300 0.122 0.000 2.456 449 C HA 0.704 5.165 4.460 0.001 0.000 0.325 449 C C -0.577 174.624 174.990 0.352 0.000 1.217 449 C CA -0.787 58.335 59.018 0.173 0.000 1.687 449 C CB 0.706 28.496 27.740 0.083 0.000 2.270 449 C HN 0.794 nan 8.230 nan 0.000 0.499 450 Y N 0.702 121.164 120.300 0.270 0.000 2.570 450 Y HA 0.838 5.388 4.550 0.001 0.000 0.345 450 Y C -1.104 174.680 175.900 -0.194 0.000 1.014 450 Y CA -1.669 56.472 58.100 0.068 0.000 1.063 450 Y CB 0.877 39.305 38.460 -0.052 0.000 1.272 450 Y HN 0.452 nan 8.280 nan 0.000 0.477 451 L N 5.728 126.670 121.223 -0.469 0.000 2.301 451 L HA 0.606 4.946 4.340 0.001 0.000 0.278 451 L C -2.748 173.953 176.870 -0.283 0.000 1.022 451 L CA -2.710 51.654 54.840 -0.794 0.000 0.854 451 L CB 0.989 42.166 42.059 -1.471 0.000 1.226 451 L HN 0.508 nan 8.230 nan 0.000 0.429 452 P HA 0.446 nan 4.420 nan 0.000 0.275 452 P C -1.211 176.037 177.300 -0.087 0.000 1.228 452 P CA -0.282 62.821 63.100 0.003 0.000 0.786 452 P CB 1.609 33.364 31.700 0.092 0.000 0.927 453 A N 1.902 124.690 122.820 -0.054 0.000 2.609 453 A HA 0.510 4.831 4.320 0.001 0.000 0.291 453 A C -0.772 176.793 177.584 -0.031 0.000 1.096 453 A CA -0.821 51.173 52.037 -0.071 0.000 0.684 453 A CB 1.041 19.971 19.000 -0.117 0.000 1.282 453 A HN 0.330 nan 8.150 nan 0.000 0.412 454 K N 0.752 121.133 120.400 -0.032 0.000 2.485 454 K HA 0.030 4.351 4.320 0.001 0.000 0.277 454 K C -0.342 176.244 176.600 -0.023 0.000 0.990 454 K CA 0.156 56.443 56.287 -0.001 0.000 0.994 454 K CB 0.023 32.517 32.500 -0.009 0.000 0.906 454 K HN 0.705 nan 8.250 nan 0.000 0.488 455 Y N 1.475 121.718 120.300 -0.095 0.000 2.805 455 Y HA -0.129 4.421 4.550 0.001 0.000 0.331 455 Y C 0.199 175.964 175.900 -0.225 0.000 1.241 455 Y CA 0.785 58.766 58.100 -0.198 0.000 1.546 455 Y CB 0.386 38.733 38.460 -0.188 0.000 1.248 455 Y HN 0.487 nan 8.280 nan 0.000 0.559 456 S N 5.445 120.504 115.700 -1.069 0.000 2.733 456 S HA 0.628 5.099 4.470 0.001 0.000 0.294 456 S C 0.507 174.399 174.600 -1.181 0.000 1.149 456 S CA -0.286 57.346 58.200 -0.946 0.000 1.034 456 S CB 0.832 63.746 63.200 -0.477 0.000 1.015 456 S HN 1.045 nan 8.310 nan 0.000 0.486 457 A N 4.101 126.180 122.820 -1.236 0.000 1.908 457 A HA -0.125 4.196 4.320 0.001 0.000 0.218 457 A C 1.804 179.104 177.584 -0.474 0.000 1.181 457 A CA 1.967 53.456 52.037 -0.913 0.000 0.627 457 A CB -0.723 17.636 19.000 -1.069 0.000 0.818 457 A HN 0.981 nan 8.150 nan 0.000 0.445 458 E N -0.415 119.560 120.200 -0.374 0.000 2.158 458 E HA -0.099 4.252 4.350 0.001 0.000 0.191 458 E C 1.713 178.196 176.600 -0.195 0.000 0.982 458 E CA 1.177 57.447 56.400 -0.216 0.000 0.823 458 E CB -0.170 29.433 29.700 -0.163 0.000 0.766 458 E HN 0.567 nan 8.360 nan 0.000 0.468 459 K N 0.587 120.835 120.400 -0.252 0.000 2.334 459 K HA 0.249 4.570 4.320 0.001 0.000 0.195 459 K C 0.559 177.049 176.600 -0.183 0.000 1.045 459 K CA 0.301 56.472 56.287 -0.192 0.000 1.004 459 K CB 0.554 32.940 32.500 -0.191 0.000 0.837 459 K HN 0.096 nan 8.250 nan 0.000 0.510 460 A N 2.057 124.724 122.820 -0.255 0.000 2.524 460 A HA 0.119 4.440 4.320 0.001 0.000 0.250 460 A C 0.130 177.656 177.584 -0.098 0.000 1.078 460 A CA -0.114 51.816 52.037 -0.177 0.000 0.761 460 A CB -0.359 18.492 19.000 -0.249 0.000 1.012 460 A HN 0.206 nan 8.150 nan 0.000 0.500 461 I N 2.369 122.904 120.570 -0.059 0.000 2.618 461 I HA 0.025 4.195 4.170 0.001 0.000 0.284 461 I C 0.978 177.019 176.117 -0.125 0.000 1.146 461 I CA 0.340 61.595 61.300 -0.075 0.000 1.425 461 I CB 0.882 38.853 38.000 -0.048 0.000 1.383 461 I HN 0.761 nan 8.210 nan 0.000 0.562 462 K N 2.477 122.682 120.400 -0.324 0.000 2.370 462 K HA 0.161 4.482 4.320 0.001 0.000 0.194 462 K C -0.523 175.751 176.600 -0.543 0.000 1.070 462 K CA 0.229 56.229 56.287 -0.478 0.000 0.998 462 K CB 0.326 32.307 32.500 -0.864 0.000 0.911 462 K HN 0.530 nan 8.250 nan 0.000 0.533 463 D N -0.528 119.577 120.400 -0.492 0.000 2.859 463 D HA 0.390 5.030 4.640 0.001 0.000 0.223 463 D C -1.468 174.814 176.300 -0.031 0.000 1.218 463 D CA -0.469 53.388 54.000 -0.239 0.000 0.850 463 D CB 1.345 42.025 40.800 -0.200 0.000 1.656 463 D HN -0.133 nan 8.370 nan 0.000 0.484 464 I N 2.484 123.085 120.570 0.051 0.000 2.498 464 I HA 0.417 4.588 4.170 0.001 0.000 0.290 464 I C -0.440 175.748 176.117 0.118 0.000 1.032 464 I CA -0.613 60.757 61.300 0.116 0.000 1.073 464 I CB 2.069 40.102 38.000 0.055 0.000 1.251 464 I HN 0.268 nan 8.210 nan 0.000 0.426 465 Q N 4.467 124.356 119.800 0.148 0.000 2.456 465 Q HA 0.653 4.994 4.340 0.001 0.000 0.283 465 Q C -2.002 174.029 176.000 0.052 0.000 1.084 465 Q CA -0.887 54.960 55.803 0.074 0.000 0.801 465 Q CB 3.191 31.951 28.738 0.036 0.000 1.434 465 Q HN 0.525 nan 8.270 nan 0.000 0.419 466 L N 2.605 123.823 121.223 -0.008 0.000 2.333 466 L HA 0.496 4.836 4.340 0.001 0.000 0.280 466 L C -1.503 175.343 176.870 -0.040 0.000 1.004 466 L CA -0.279 54.543 54.840 -0.031 0.000 0.820 466 L CB 1.552 43.526 42.059 -0.142 0.000 1.247 466 L HN 0.608 nan 8.230 nan 0.000 0.416 467 L N 4.944 126.182 121.223 0.024 0.000 2.265 467 L HA 0.415 4.755 4.340 0.001 0.000 0.288 467 L C -0.404 176.473 176.870 0.012 0.000 1.058 467 L CA -0.293 54.568 54.840 0.034 0.000 0.809 467 L CB 1.159 43.293 42.059 0.124 0.000 1.179 467 L HN 0.657 nan 8.230 nan 0.000 0.429 468 C N 3.108 122.402 119.300 -0.009 0.000 2.441 468 C HA 0.818 5.278 4.460 0.001 0.000 0.318 468 C C 0.822 175.834 174.990 0.036 0.000 1.222 468 C CA -0.424 58.613 59.018 0.032 0.000 1.474 468 C CB 0.531 28.248 27.740 -0.038 0.000 2.125 468 C HN 0.992 nan 8.230 nan 0.000 0.479 475 M N 1.402 121.041 119.600 0.065 0.000 2.441 475 M HA 0.394 4.874 4.480 0.001 0.000 0.244 475 M C 0.926 177.288 176.300 0.102 0.000 1.122 475 M CA 0.038 55.412 55.300 0.123 0.000 1.041 475 M CB -0.470 32.219 32.600 0.149 0.000 1.438 475 M HN 0.612 nan 8.290 nan 0.000 0.484 476 I N 1.529 122.132 120.570 0.055 0.000 2.496 476 I HA 0.274 4.445 4.170 0.001 0.000 0.285 476 I C 0.198 176.329 176.117 0.022 0.000 1.080 476 I CA -0.741 60.579 61.300 0.034 0.000 1.404 476 I CB -0.304 37.710 38.000 0.023 0.000 1.403 476 I HN 0.206 nan 8.210 nan 0.000 0.539 477 L N 8.698 129.932 121.223 0.018 0.000 2.500 477 L HA 0.570 4.911 4.340 0.001 0.000 0.272 477 L C -1.842 175.043 176.870 0.025 0.000 1.149 477 L CA -1.209 53.641 54.840 0.017 0.000 0.897 477 L CB 0.158 42.226 42.059 0.015 0.000 1.178 477 L HN 0.708 nan 8.230 nan 0.000 0.473 478 P HA 0.266 nan 4.420 nan 0.000 0.281 478 P C -0.917 176.480 177.300 0.162 0.000 1.249 478 P CA 0.028 63.154 63.100 0.044 0.000 0.810 478 P CB 0.279 31.948 31.700 -0.051 0.000 1.008 479 Y N -0.797 119.607 120.300 0.174 0.000 2.309 479 Y HA 0.504 5.055 4.550 0.001 0.000 0.327 479 Y C 1.270 177.425 175.900 0.426 0.000 1.172 479 Y CA -0.830 57.396 58.100 0.209 0.000 1.280 479 Y CB 0.536 39.056 38.460 0.098 0.000 1.234 479 Y HN 0.641 nan 8.280 nan 0.000 0.512 480 G N 2.111 111.179 108.800 0.447 0.000 4.403 480 G HA2 0.415 4.375 3.960 0.001 0.000 0.297 480 G HA3 0.415 4.375 3.960 0.001 0.000 0.297 480 G C -0.575 174.395 174.900 0.116 0.000 1.325 480 G CA -0.173 45.048 45.100 0.202 0.000 1.378 480 G HN 0.711 nan 8.290 nan 0.000 0.595 481 Y N 0.585 120.897 120.300 0.018 0.000 2.374 481 Y HA 0.350 4.901 4.550 0.001 0.000 0.322 481 Y C 0.869 176.657 175.900 -0.187 0.000 1.275 481 Y CA -0.583 57.464 58.100 -0.089 0.000 1.307 481 Y CB 1.458 39.890 38.460 -0.048 0.000 1.282 481 Y HN 0.207 nan 8.280 nan 0.000 0.509 482 N N 1.005 119.547 118.700 -0.263 0.000 2.272 482 N HA 0.166 4.907 4.740 0.001 0.000 0.305 482 N C -1.721 173.668 175.510 -0.201 0.000 1.103 482 N CA -0.729 52.104 53.050 -0.362 0.000 0.791 482 N CB 1.648 39.676 38.487 -0.765 0.000 1.356 482 N HN 0.592 nan 8.380 nan 0.000 0.486 483 D N 0.760 121.131 120.400 -0.048 0.000 2.339 483 D HA 0.162 4.802 4.640 0.001 0.000 0.245 483 D C -0.183 176.216 176.300 0.165 0.000 1.115 483 D CA 0.037 54.071 54.000 0.057 0.000 0.917 483 D CB 1.829 42.636 40.800 0.012 0.000 1.192 483 D HN 0.049 nan 8.370 nan 0.000 0.428 484 V N 3.256 123.283 119.914 0.187 0.000 2.364 484 V HA 0.276 4.397 4.120 0.001 0.000 0.272 484 V C 0.349 176.513 176.094 0.117 0.000 1.036 484 V CA -0.495 61.848 62.300 0.072 0.000 0.880 484 V CB 0.694 32.383 31.823 -0.223 0.000 0.991 484 V HN 0.247 nan 8.190 nan 0.000 0.460 485 L N 4.398 125.679 121.223 0.096 0.000 2.334 485 L HA 0.608 4.949 4.340 0.001 0.000 0.273 485 L C 0.287 177.267 176.870 0.183 0.000 1.013 485 L CA -0.930 54.005 54.840 0.158 0.000 0.816 485 L CB 1.758 43.869 42.059 0.086 0.000 1.278 485 L HN 0.680 nan 8.230 nan 0.000 0.431 486 D N 0.298 120.824 120.400 0.209 0.000 2.348 486 D HA 0.006 4.647 4.640 0.001 0.000 0.272 486 D C 0.713 177.050 176.300 0.061 0.000 1.237 486 D CA -0.205 53.894 54.000 0.164 0.000 1.042 486 D CB 0.440 41.319 40.800 0.133 0.000 1.117 486 D HN 0.476 nan 8.370 nan 0.000 0.548 487 E N -1.587 118.634 120.200 0.036 0.000 2.110 487 E HA -0.075 4.276 4.350 0.001 0.000 0.193 487 E C 2.238 178.839 176.600 0.001 0.000 0.988 487 E CA 2.441 58.839 56.400 -0.004 0.000 0.804 487 E CB -0.380 29.316 29.700 -0.007 0.000 0.745 487 E HN 0.487 nan 8.360 nan 0.000 0.458 488 R N 0.257 120.768 120.500 0.019 0.000 2.299 488 R HA 0.261 4.601 4.340 0.001 0.000 0.197 488 R C 1.543 177.855 176.300 0.019 0.000 0.971 488 R CA 0.954 57.063 56.100 0.017 0.000 1.030 488 R CB -0.868 29.445 30.300 0.021 0.000 0.932 488 R HN 0.331 nan 8.270 nan 0.000 0.477 489 G N -2.391 106.425 108.800 0.027 0.000 2.142 489 G HA2 0.145 4.105 3.960 0.001 0.000 0.225 489 G HA3 0.145 4.105 3.960 0.001 0.000 0.225 489 G C 0.055 174.975 174.900 0.033 0.000 1.015 489 G CA 0.850 45.967 45.100 0.029 0.000 0.716 489 G HN 1.367 nan 8.290 nan 0.000 0.508 490 E N -0.005 120.223 120.200 0.047 0.000 2.221 490 E HA 0.821 5.172 4.350 0.001 0.000 0.268 490 E C 0.352 176.990 176.600 0.064 0.000 0.933 490 E CA -0.746 55.677 56.400 0.038 0.000 0.809 490 E CB 0.900 30.623 29.700 0.038 0.000 1.190 490 E HN 0.643 nan 8.360 nan 0.000 0.406 491 R N -0.322 120.181 120.500 0.004 0.000 2.623 491 R HA 0.470 4.811 4.340 0.001 0.000 0.271 491 R C -0.136 176.243 176.300 0.132 0.000 1.043 491 R CA 0.565 56.658 56.100 -0.011 0.000 1.083 491 R CB 0.898 30.956 30.300 -0.402 0.000 0.974 491 R HN 0.673 nan 8.270 nan 0.000 0.436 492 A N 2.930 125.891 122.820 0.235 0.000 2.304 492 A HA 0.182 4.503 4.320 0.001 0.000 0.314 492 A C -0.576 177.166 177.584 0.263 0.000 1.187 492 A CA -0.793 51.331 52.037 0.145 0.000 0.810 492 A CB 0.977 19.847 19.000 -0.216 0.000 1.183 492 A HN 0.679 nan 8.150 nan 0.000 0.487 493 N N 2.531 121.392 118.700 0.267 0.000 2.427 493 N HA 0.244 4.985 4.740 0.001 0.000 0.269 493 N C 1.023 176.612 175.510 0.131 0.000 1.235 493 N CA 0.545 53.671 53.050 0.127 0.000 0.934 493 N CB 1.118 39.606 38.487 0.003 0.000 1.121 493 N HN 0.616 nan 8.380 nan 0.000 0.480 494 A N 2.806 125.690 122.820 0.107 0.000 2.066 494 A HA -0.002 4.319 4.320 0.001 0.000 0.218 494 A C 1.187 178.854 177.584 0.139 0.000 1.157 494 A CA 0.816 52.911 52.037 0.096 0.000 0.670 494 A CB -0.248 18.835 19.000 0.138 0.000 0.804 494 A HN 0.591 nan 8.150 nan 0.000 0.453 495 T N -0.951 113.604 114.554 0.001 0.000 2.902 495 T HA 0.401 4.751 4.350 0.001 0.000 0.283 495 T C 0.379 174.985 174.700 -0.156 0.000 1.009 495 T CA -0.405 61.609 62.100 -0.143 0.000 1.051 495 T CB 1.172 69.710 68.868 -0.550 0.000 0.999 495 T HN 0.378 nan 8.240 nan 0.000 0.474 496 E N 1.345 121.450 120.200 -0.159 0.000 2.498 496 E HA 0.111 4.461 4.350 0.001 0.000 0.203 496 E C 0.126 176.619 176.600 -0.177 0.000 1.013 496 E CA -0.226 56.050 56.400 -0.206 0.000 0.927 496 E CB 0.411 29.987 29.700 -0.207 0.000 1.012 496 E HN 0.717 nan 8.360 nan 0.000 0.482 497 D N -0.271 120.028 120.400 -0.169 0.000 2.539 497 D HA 0.018 4.658 4.640 0.001 0.000 0.280 497 D C 0.237 176.451 176.300 -0.144 0.000 1.208 497 D CA -0.242 53.674 54.000 -0.140 0.000 1.088 497 D CB -0.139 40.590 40.800 -0.120 0.000 1.149 497 D HN -0.080 nan 8.370 nan 0.000 0.596 498 D N -0.868 119.464 120.400 -0.114 0.000 2.767 498 D HA 0.183 4.824 4.640 0.001 0.000 0.231 498 D C -0.026 176.208 176.300 -0.109 0.000 1.105 498 D CA -0.215 53.726 54.000 -0.100 0.000 1.024 498 D CB -1.010 39.747 40.800 -0.072 0.000 1.123 498 D HN 0.361 nan 8.370 nan 0.000 0.470 499 N N -1.253 117.355 118.700 -0.154 0.000 3.020 499 N HA 0.534 5.275 4.740 0.001 0.000 0.248 499 N C -1.985 173.387 175.510 -0.230 0.000 1.480 499 N CA -0.487 52.458 53.050 -0.175 0.000 0.874 499 N CB 2.291 40.650 38.487 -0.214 0.000 1.433 499 N HN 0.047 nan 8.380 nan 0.000 0.530 500 V N 1.597 121.386 119.914 -0.208 0.000 2.443 500 V HA 0.396 4.516 4.120 0.001 0.000 0.293 500 V C -1.053 174.940 176.094 -0.169 0.000 1.021 500 V CA -0.529 61.600 62.300 -0.285 0.000 0.848 500 V CB 1.180 32.799 31.823 -0.341 0.000 0.998 500 V HN 0.665 nan 8.190 nan 0.000 0.424 501 H N 4.777 123.668 119.070 -0.300 0.000 2.595 501 H HA 0.482 5.038 4.556 0.001 0.000 0.313 501 H C -1.462 173.794 175.328 -0.120 0.000 1.023 501 H CA -0.630 55.315 56.048 -0.170 0.000 1.218 501 H CB 1.361 31.091 29.762 -0.052 0.000 1.403 501 H HN 0.530 nan 8.280 nan 0.000 0.477 502 Y N 2.625 123.030 120.300 0.175 0.000 2.331 502 Y HA 0.147 4.698 4.550 0.001 0.000 0.338 502 Y C -0.205 175.784 175.900 0.148 0.000 0.976 502 Y CA -1.096 57.100 58.100 0.159 0.000 1.137 502 Y CB 0.935 39.468 38.460 0.122 0.000 1.172 502 Y HN 0.485 nan 8.280 nan 0.000 0.478 503 L N 6.484 127.938 121.223 0.385 0.000 2.319 503 L HA 0.538 4.878 4.340 0.001 0.000 0.280 503 L C -0.304 176.723 176.870 0.262 0.000 1.099 503 L CA -0.207 54.801 54.840 0.281 0.000 0.828 503 L CB -0.080 42.166 42.059 0.310 0.000 1.150 503 L HN 0.564 nan 8.230 nan 0.000 0.442 504 I N 2.576 123.287 120.570 0.236 0.000 2.892 504 I HA 0.742 4.912 4.170 0.001 0.000 0.306 504 I C -1.364 174.985 176.117 0.387 0.000 1.078 504 I CA -0.904 60.560 61.300 0.274 0.000 1.032 504 I CB 2.192 40.312 38.000 0.200 0.000 1.229 504 I HN 0.658 nan 8.210 nan 0.000 0.435 505 Y N 1.375 121.793 120.300 0.198 0.000 2.597 505 Y HA 0.841 5.391 4.550 0.001 0.000 0.340 505 Y C -1.099 174.667 175.900 -0.223 0.000 1.097 505 Y CA -1.202 56.920 58.100 0.037 0.000 1.037 505 Y CB 1.450 39.888 38.460 -0.036 0.000 1.305 505 Y HN 0.762 nan 8.280 nan 0.000 0.463 506 S N 0.434 115.871 115.700 -0.438 0.000 2.546 506 S HA 0.712 5.183 4.470 0.001 0.000 0.272 506 S C -0.321 174.037 174.600 -0.403 0.000 1.140 506 S CA -0.126 57.664 58.200 -0.682 0.000 0.920 506 S CB 1.417 63.770 63.200 -1.412 0.000 1.083 506 S HN 1.429 nan 8.310 nan 0.000 0.476 507 A N 2.299 124.972 122.820 -0.244 0.000 2.275 507 A HA 0.548 4.868 4.320 0.001 0.000 0.212 507 A C 1.473 178.996 177.584 -0.102 0.000 1.201 507 A CA 0.492 52.428 52.037 -0.169 0.000 0.843 507 A CB -0.996 17.948 19.000 -0.094 0.000 0.873 507 A HN 2.133 nan 8.150 nan 0.000 0.492 508 G N -3.395 105.390 108.800 -0.026 0.000 2.179 508 G HA2 -0.005 3.956 3.960 0.001 0.000 0.257 508 G HA3 -0.005 3.956 3.960 0.001 0.000 0.257 508 G C 0.914 175.901 174.900 0.146 0.000 1.010 508 G CA 0.840 46.110 45.100 0.284 0.000 0.736 508 G HN 2.300 nan 8.290 nan 0.000 0.513 509 W N 0.000 121.326 121.300 0.043 0.000 2.388 509 W HA 0.000 4.660 4.660 0.001 0.000 0.303 509 W CA 0.000 57.350 57.345 0.009 0.000 1.226 509 W CB 0.000 29.470 29.460 0.017 0.000 1.126 509 W HN 0.000 nan 8.180 nan 0.000 0.535