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 3ag2_1_A DATA FIRST_RESID 2 DATA SEQUENCE FINRWLFSTN HKDIGTLYLL FGAWAGMVGT ALSLLIRAEL GQPGTLLGDD DATA SEQUENCE QIYNVVVTAH AFVMIFFMVM PIMIGGFGNW LVPLMIGAPD MAFPRMNNMS DATA SEQUENCE FWLLPPSFLL LLASSMVEAG AGTGWTVYPP LAGNLAHAGA SVDLTIFSLH DATA SEQUENCE LAGVSSILGA INFITTIINM KPPAMSQYQT PLFVWSVMIT AVLLLLSLPV DATA SEQUENCE LAAGITMLLT DRNLNTTFFD PAGGGDPILY QHLFWFFGHP EVYILILPGF DATA SEQUENCE GMISHIVTYY SGKKEPFGYM GMVWAMMSIG FLGFIVWAHH MFTVGMDVDT DATA SEQUENCE RAYFTSATMI IAIPTGVKVF SWLATLHGGN IKWSPAMMWA LGFIFLFTVG DATA SEQUENCE GLTGIVLANS SLDIVLHDTY YVVAHFHYVL SMGAVFAIMG GFVHWFPLFS DATA SEQUENCE GYTLNDTWAK IHFAIMFVGV NMTFFPQHFL GLSGMPRRYS DYPDAYTMWN DATA SEQUENCE TISSMGSFIS LTAVMLMVFI IWEAFASKRE VLTVDLTTTN LEWLNGCPPP DATA SEQUENCE YHTFEEPTYV NLK 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 2 F HA 0.000 nan 4.527 nan 0.000 0.279 2 F C 0.000 175.817 175.800 0.028 0.000 0.967 2 F CA 0.000 58.046 58.000 0.076 0.000 1.383 2 F CB 0.000 39.053 39.000 0.087 0.000 1.145 3 I N 1.838 122.447 120.570 0.065 0.000 2.208 3 I HA -0.311 3.859 4.170 -0.000 0.000 0.245 3 I C 1.729 177.459 176.117 -0.646 0.000 1.097 3 I CA 1.801 62.928 61.300 -0.289 0.000 1.363 3 I CB -0.535 37.255 38.000 -0.350 0.000 1.051 3 I HN 0.313 nan 8.210 nan 0.000 0.413 4 N N 0.645 119.068 118.700 -0.461 0.000 2.084 4 N HA -0.210 4.530 4.740 -0.000 0.000 0.190 4 N C 1.903 177.248 175.510 -0.274 0.000 1.030 4 N CA 1.300 54.160 53.050 -0.315 0.000 0.849 4 N CB -0.395 38.023 38.487 -0.115 0.000 1.012 4 N HN 0.333 nan 8.380 nan 0.000 0.423 5 R N -0.839 119.422 120.500 -0.399 0.000 2.062 5 R HA -0.056 4.284 4.340 -0.000 0.000 0.229 5 R C 1.422 177.230 176.300 -0.821 0.000 1.128 5 R CA 1.305 57.013 56.100 -0.653 0.000 0.960 5 R CB -0.139 29.621 30.300 -0.901 0.000 0.855 5 R HN 0.267 nan 8.270 nan 0.000 0.432 6 W N -1.036 120.031 121.300 -0.389 0.000 2.907 6 W HA 0.179 4.839 4.660 -0.000 0.000 0.271 6 W C 1.240 177.760 176.519 0.000 0.000 1.253 6 W CA -0.574 56.592 57.345 -0.299 0.000 1.501 6 W CB 0.350 29.447 29.460 -0.605 0.000 1.047 6 W HN 0.070 nan 8.180 nan 0.000 0.610 7 L N -1.409 119.847 121.223 0.056 0.000 2.408 7 L HA 0.163 4.503 4.340 -0.000 0.000 0.215 7 L C 0.767 177.847 176.870 0.350 0.000 1.081 7 L CA 1.046 55.935 54.840 0.082 0.000 0.840 7 L CB -0.477 41.407 42.059 -0.292 0.000 1.002 7 L HN -0.139 nan 8.230 nan 0.000 0.468 8 F N -1.473 118.481 119.950 0.007 0.000 2.791 8 F HA 0.392 4.919 4.527 -0.000 0.000 0.308 8 F C 1.179 176.971 175.800 -0.013 0.000 1.138 8 F CA -1.171 56.822 58.000 -0.011 0.000 1.294 8 F CB -0.974 37.998 39.000 -0.046 0.000 0.975 8 F HN -0.216 nan 8.300 nan 0.000 0.512 9 S N 0.877 116.675 115.700 0.163 0.000 2.568 9 S HA 0.239 4.709 4.470 -0.000 0.000 0.282 9 S C 1.115 175.738 174.600 0.037 0.000 1.338 9 S CA 0.599 58.807 58.200 0.014 0.000 1.045 9 S CB 0.434 63.583 63.200 -0.087 0.000 0.873 9 S HN 0.474 nan 8.310 nan 0.000 0.516 10 T N 1.004 115.550 114.554 -0.012 0.000 3.393 10 T HA 0.303 4.653 4.350 -0.000 0.000 0.298 10 T C -0.178 174.467 174.700 -0.091 0.000 1.004 10 T CA -0.684 61.407 62.100 -0.015 0.000 0.956 10 T CB -0.491 68.391 68.868 0.024 0.000 1.182 10 T HN 0.539 nan 8.240 nan 0.000 0.497 11 N N 1.340 119.910 118.700 -0.217 0.000 2.400 11 N HA 0.166 4.906 4.740 -0.000 0.000 0.288 11 N C 0.929 176.200 175.510 -0.398 0.000 1.024 11 N CA -0.293 52.505 53.050 -0.421 0.000 0.894 11 N CB 1.499 39.474 38.487 -0.852 0.000 1.173 11 N HN 0.580 nan 8.380 nan 0.000 0.487 12 H N 2.699 121.520 119.070 -0.415 0.000 2.495 12 H HA 0.086 4.642 4.556 -0.000 0.000 0.287 12 H C 1.001 175.977 175.328 -0.587 0.000 1.033 12 H CA 1.141 56.960 56.048 -0.382 0.000 1.307 12 H CB 0.382 29.961 29.762 -0.305 0.000 1.401 12 H HN 0.491 nan 8.280 nan 0.000 0.555 13 K N 0.406 119.931 120.400 -1.457 0.000 2.044 13 K HA -0.070 4.250 4.320 -0.000 0.000 0.204 13 K C 1.524 177.425 176.600 -1.165 0.000 1.049 13 K CA 1.235 56.395 56.287 -1.878 0.000 0.945 13 K CB 0.100 31.428 32.500 -1.953 0.000 0.724 13 K HN 0.220 nan 8.250 nan 0.000 0.440 14 D N 1.299 121.253 120.400 -0.744 0.000 2.117 14 D HA -0.123 4.517 4.640 -0.000 0.000 0.197 14 D C 1.869 178.027 176.300 -0.237 0.000 0.987 14 D CA 0.995 54.775 54.000 -0.367 0.000 0.829 14 D CB -0.217 40.236 40.800 -0.579 0.000 0.961 14 D HN 0.127 nan 8.370 nan 0.000 0.460 15 I N 0.821 121.205 120.570 -0.310 0.000 2.163 15 I HA -0.214 3.956 4.170 -0.000 0.000 0.243 15 I C 2.526 178.586 176.117 -0.096 0.000 1.085 15 I CA 1.434 62.596 61.300 -0.229 0.000 1.347 15 I CB -0.557 37.377 38.000 -0.110 0.000 1.044 15 I HN 0.045 nan 8.210 nan 0.000 0.408 16 G N -0.048 108.648 108.800 -0.174 0.000 2.442 16 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.219 16 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.219 16 G C 1.657 176.606 174.900 0.082 0.000 1.141 16 G CA 1.530 46.604 45.100 -0.043 0.000 0.763 16 G HN 0.291 nan 8.290 nan 0.000 0.554 17 T N 1.059 115.637 114.554 0.038 0.000 2.821 17 T HA 0.031 4.381 4.350 -0.000 0.000 0.267 17 T C 2.449 177.165 174.700 0.027 0.000 1.046 17 T CA 0.709 62.907 62.100 0.164 0.000 1.139 17 T CB -0.151 68.871 68.868 0.255 0.000 0.871 17 T HN 0.163 nan 8.240 nan 0.000 0.454 18 L N -0.432 120.696 121.223 -0.158 0.000 2.012 18 L HA -0.130 4.210 4.340 -0.000 0.000 0.210 18 L C 2.359 179.071 176.870 -0.263 0.000 1.073 18 L CA 1.608 56.152 54.840 -0.493 0.000 0.748 18 L CB -0.661 40.536 42.059 -1.437 0.000 0.891 18 L HN 0.245 nan 8.230 nan 0.000 0.431 19 Y N 0.012 120.211 120.300 -0.170 0.000 2.207 19 Y HA -0.256 4.294 4.550 -0.000 0.000 0.287 19 Y C 2.409 178.466 175.900 0.262 0.000 1.156 19 Y CA 1.381 59.606 58.100 0.209 0.000 1.182 19 Y CB -0.342 38.206 38.460 0.147 0.000 0.979 19 Y HN 0.088 nan 8.280 nan 0.000 0.521 20 L N -1.327 120.076 121.223 0.300 0.000 2.109 20 L HA -0.197 4.143 4.340 -0.000 0.000 0.207 20 L C 2.200 179.230 176.870 0.267 0.000 1.086 20 L CA 0.833 55.811 54.840 0.230 0.000 0.760 20 L CB -0.529 41.608 42.059 0.129 0.000 0.910 20 L HN 0.237 nan 8.230 nan 0.000 0.437 21 L N -1.226 120.141 121.223 0.240 0.000 2.005 21 L HA -0.246 4.094 4.340 -0.000 0.000 0.207 21 L C 2.557 179.618 176.870 0.319 0.000 1.072 21 L CA 1.375 56.350 54.840 0.226 0.000 0.744 21 L CB -0.553 41.581 42.059 0.125 0.000 0.895 21 L HN 0.156 nan 8.230 nan 0.000 0.433 22 F N 0.898 120.994 119.950 0.243 0.000 2.091 22 F HA -0.230 4.297 4.527 -0.000 0.000 0.299 22 F C 2.196 178.233 175.800 0.394 0.000 1.103 22 F CA 1.903 60.099 58.000 0.325 0.000 1.228 22 F CB -0.524 38.695 39.000 0.365 0.000 0.984 22 F HN 0.007 nan 8.300 nan 0.000 0.477 23 G N -0.695 108.443 108.800 0.563 0.000 2.422 23 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.218 23 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.218 23 G C 1.777 176.817 174.900 0.233 0.000 1.140 23 G CA 0.637 45.977 45.100 0.401 0.000 0.775 23 G HN 0.638 nan 8.290 nan 0.000 0.545 24 A N 0.211 123.160 122.820 0.214 0.000 1.883 24 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 24 A C 2.156 179.827 177.584 0.144 0.000 1.186 24 A CA 1.651 53.770 52.037 0.136 0.000 0.624 24 A CB -0.804 18.267 19.000 0.117 0.000 0.822 24 A HN 0.536 nan 8.150 nan 0.000 0.444 25 W N 0.416 121.721 121.300 0.008 0.000 2.358 25 W HA -0.108 4.552 4.660 -0.000 0.000 0.303 25 W C 2.553 179.074 176.519 0.002 0.000 1.208 25 W CA 2.218 59.547 57.345 -0.026 0.000 1.274 25 W CB -0.185 29.225 29.460 -0.084 0.000 1.138 25 W HN 0.386 nan 8.180 nan 0.000 0.515 26 A N 0.578 123.514 122.820 0.192 0.000 1.917 26 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 26 A C 2.229 179.855 177.584 0.070 0.000 1.182 26 A CA 2.219 54.377 52.037 0.201 0.000 0.633 26 A CB -1.755 17.355 19.000 0.183 0.000 0.819 26 A HN 0.424 nan 8.150 nan 0.000 0.448 27 G N -0.774 108.055 108.800 0.050 0.000 2.469 27 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.219 27 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.219 27 G C 1.494 176.376 174.900 -0.029 0.000 1.150 27 G CA 1.568 46.685 45.100 0.029 0.000 0.763 27 G HN 0.371 nan 8.290 nan 0.000 0.561 28 M N 0.261 119.780 119.600 -0.134 0.000 2.099 28 M HA 0.005 4.485 4.480 -0.000 0.000 0.262 28 M C 2.853 179.028 176.300 -0.209 0.000 1.067 28 M CA 0.721 55.895 55.300 -0.211 0.000 1.124 28 M CB -1.349 31.030 32.600 -0.368 0.000 1.353 28 M HN 0.120 nan 8.290 nan 0.000 0.410 29 V N 0.332 120.076 119.914 -0.283 0.000 2.332 29 V HA -0.198 3.922 4.120 -0.000 0.000 0.248 29 V C 2.600 178.715 176.094 0.035 0.000 1.055 29 V CA 2.115 64.326 62.300 -0.149 0.000 1.038 29 V CB -1.750 30.047 31.823 -0.044 0.000 0.651 29 V HN 0.590 nan 8.190 nan 0.000 0.450 30 G N -1.081 107.766 108.800 0.079 0.000 2.430 30 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.216 30 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.216 30 G C 1.669 176.688 174.900 0.199 0.000 1.146 30 G CA 1.208 46.407 45.100 0.165 0.000 0.793 30 G HN 0.470 nan 8.290 nan 0.000 0.537 31 T N 1.415 116.028 114.554 0.098 0.000 2.896 31 T HA 0.145 4.495 4.350 -0.000 0.000 0.263 31 T C 2.815 177.536 174.700 0.036 0.000 1.050 31 T CA 1.134 63.284 62.100 0.083 0.000 1.140 31 T CB -0.187 68.701 68.868 0.034 0.000 0.877 31 T HN 0.319 nan 8.240 nan 0.000 0.457 32 A N 1.253 124.073 122.820 0.000 0.000 1.933 32 A HA 0.043 4.363 4.320 -0.000 0.000 0.218 32 A C 2.250 179.843 177.584 0.016 0.000 1.175 32 A CA 1.074 53.101 52.037 -0.017 0.000 0.628 32 A CB -0.828 18.146 19.000 -0.044 0.000 0.814 32 A HN 0.450 nan 8.150 nan 0.000 0.444 33 L N 0.313 121.572 121.223 0.060 0.000 2.012 33 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 33 L C 3.066 179.923 176.870 -0.022 0.000 1.073 33 L CA 1.831 56.712 54.840 0.068 0.000 0.748 33 L CB -0.445 41.718 42.059 0.175 0.000 0.891 33 L HN 0.621 nan 8.230 nan 0.000 0.431 34 S N -0.453 115.209 115.700 -0.063 0.000 2.423 34 S HA -0.103 4.367 4.470 -0.000 0.000 0.231 34 S C 1.907 176.460 174.600 -0.077 0.000 1.014 34 S CA 0.741 58.787 58.200 -0.257 0.000 0.965 34 S CB -0.464 62.635 63.200 -0.168 0.000 0.785 34 S HN 0.375 nan 8.310 nan 0.000 0.495 35 L N 0.354 121.570 121.223 -0.011 0.000 2.179 35 L HA 0.117 4.457 4.340 -0.000 0.000 0.208 35 L C 2.514 179.433 176.870 0.082 0.000 1.096 35 L CA 0.668 55.533 54.840 0.042 0.000 0.779 35 L CB -0.508 41.543 42.059 -0.012 0.000 0.922 35 L HN 0.299 nan 8.230 nan 0.000 0.443 36 L N -0.292 120.964 121.223 0.056 0.000 2.042 36 L HA -0.254 4.086 4.340 -0.000 0.000 0.210 36 L C 2.451 179.401 176.870 0.132 0.000 1.076 36 L CA 1.383 56.276 54.840 0.088 0.000 0.749 36 L CB -0.434 41.665 42.059 0.067 0.000 0.893 36 L HN 0.187 nan 8.230 nan 0.000 0.432 37 I N -0.629 119.990 120.570 0.082 0.000 2.091 37 I HA -0.341 3.829 4.170 -0.000 0.000 0.239 37 I C 2.687 178.940 176.117 0.227 0.000 1.061 37 I CA 1.427 62.830 61.300 0.171 0.000 1.317 37 I CB -0.403 37.602 38.000 0.009 0.000 1.031 37 I HN 0.245 nan 8.210 nan 0.000 0.401 38 R N 0.520 121.095 120.500 0.125 0.000 2.235 38 R HA 0.022 4.362 4.340 -0.000 0.000 0.213 38 R C 2.147 178.512 176.300 0.109 0.000 1.059 38 R CA 1.087 57.245 56.100 0.097 0.000 0.997 38 R CB -0.293 30.031 30.300 0.041 0.000 0.884 38 R HN 0.411 nan 8.270 nan 0.000 0.462 39 A N 0.967 123.874 122.820 0.144 0.000 1.898 39 A HA -0.149 4.171 4.320 -0.000 0.000 0.214 39 A C 2.032 179.673 177.584 0.094 0.000 1.183 39 A CA 1.206 53.315 52.037 0.121 0.000 0.622 39 A CB -0.244 18.851 19.000 0.157 0.000 0.824 39 A HN 0.183 nan 8.150 nan 0.000 0.444 40 E N 0.396 120.674 120.200 0.129 0.000 2.130 40 E HA -0.162 4.188 4.350 -0.000 0.000 0.196 40 E C 1.374 177.995 176.600 0.035 0.000 0.998 40 E CA 1.467 57.918 56.400 0.085 0.000 0.806 40 E CB -0.361 29.436 29.700 0.163 0.000 0.738 40 E HN 0.584 nan 8.360 nan 0.000 0.459 41 L N -1.189 120.096 121.223 0.104 0.000 2.640 41 L HA 0.327 4.667 4.340 -0.000 0.000 0.230 41 L C 1.830 178.812 176.870 0.186 0.000 1.123 41 L CA 0.297 55.240 54.840 0.173 0.000 0.900 41 L CB 0.449 42.627 42.059 0.199 0.000 1.146 41 L HN 0.184 nan 8.230 nan 0.000 0.484 42 G N -0.055 108.795 108.800 0.083 0.000 2.880 42 G HA2 0.033 3.993 3.960 -0.000 0.000 0.209 42 G HA3 0.033 3.993 3.960 -0.000 0.000 0.209 42 G C 0.425 175.351 174.900 0.043 0.000 1.157 42 G CA 0.041 45.157 45.100 0.028 0.000 0.779 42 G HN 0.465 nan 8.290 nan 0.000 0.539 43 Q N -0.467 119.370 119.800 0.062 0.000 2.456 43 Q HA 0.565 4.905 4.340 -0.000 0.000 0.284 43 Q C -3.210 172.786 176.000 -0.006 0.000 1.061 43 Q CA -2.273 53.565 55.803 0.057 0.000 0.799 43 Q CB 2.097 30.834 28.738 -0.001 0.000 1.445 43 Q HN -0.154 nan 8.270 nan 0.000 0.411 44 P HA 0.341 nan 4.420 nan 0.000 0.269 44 P C 0.242 177.414 177.300 -0.214 0.000 1.209 44 P CA 1.354 64.294 63.100 -0.268 0.000 0.776 44 P CB 0.621 32.256 31.700 -0.109 0.000 0.876 45 G N 0.320 108.955 108.800 -0.274 0.000 2.500 45 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.209 45 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.209 45 G C -0.980 173.819 174.900 -0.167 0.000 1.283 45 G CA -0.274 44.721 45.100 -0.175 0.000 0.960 45 G HN 0.727 nan 8.290 nan 0.000 0.528 46 T N -0.426 114.062 114.554 -0.110 0.000 2.829 46 T HA 0.585 4.935 4.350 -0.000 0.000 0.280 46 T C 1.052 175.721 174.700 -0.052 0.000 0.999 46 T CA 0.447 62.493 62.100 -0.091 0.000 0.983 46 T CB 1.406 70.230 68.868 -0.073 0.000 0.968 46 T HN 1.428 nan 8.240 nan 0.000 0.446 47 L N 4.989 126.194 121.223 -0.031 0.000 2.262 47 L HA 0.481 4.821 4.340 -0.000 0.000 0.197 47 L C 1.815 178.697 176.870 0.020 0.000 1.073 47 L CA 1.169 56.010 54.840 0.002 0.000 0.800 47 L CB -0.320 41.753 42.059 0.024 0.000 0.987 47 L HN 0.740 nan 8.230 nan 0.000 0.470 48 L N -0.063 121.182 121.223 0.037 0.000 2.341 48 L HA 0.218 4.558 4.340 -0.000 0.000 0.214 48 L C 1.467 178.357 176.870 0.034 0.000 1.115 48 L CA 0.604 55.476 54.840 0.054 0.000 0.820 48 L CB -0.876 41.241 42.059 0.097 0.000 0.944 48 L HN 0.543 nan 8.230 nan 0.000 0.452 49 G N 0.918 109.726 108.800 0.013 0.000 2.321 49 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.287 49 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.287 49 G C -0.050 174.859 174.900 0.015 0.000 1.018 49 G CA 0.805 45.906 45.100 0.001 0.000 0.855 49 G HN 0.458 nan 8.290 nan 0.000 0.507 50 D N -0.794 119.627 120.400 0.034 0.000 2.351 50 D HA 0.294 4.934 4.640 -0.000 0.000 0.235 50 D C 0.300 176.648 176.300 0.081 0.000 1.331 50 D CA -0.562 53.467 54.000 0.048 0.000 0.959 50 D CB 0.510 41.342 40.800 0.054 0.000 1.432 50 D HN -0.062 nan 8.370 nan 0.000 0.544 51 D N 1.302 121.741 120.400 0.065 0.000 2.323 51 D HA -0.095 4.545 4.640 -0.000 0.000 0.209 51 D C 1.695 178.087 176.300 0.154 0.000 0.973 51 D CA 0.601 54.667 54.000 0.111 0.000 0.874 51 D CB 0.442 41.266 40.800 0.040 0.000 0.930 51 D HN 0.351 nan 8.370 nan 0.000 0.521 52 Q N 0.538 120.401 119.800 0.106 0.000 2.084 52 Q HA -0.074 4.266 4.340 -0.000 0.000 0.202 52 Q C 1.811 177.891 176.000 0.133 0.000 0.978 52 Q CA 1.296 57.166 55.803 0.112 0.000 0.844 52 Q CB -0.280 28.499 28.738 0.069 0.000 0.898 52 Q HN 0.330 nan 8.270 nan 0.000 0.426 53 I N -0.449 120.195 120.570 0.124 0.000 2.315 53 I HA -0.234 3.936 4.170 -0.000 0.000 0.248 53 I C 1.983 178.183 176.117 0.139 0.000 1.117 53 I CA 1.135 62.507 61.300 0.120 0.000 1.404 53 I CB -0.396 37.667 38.000 0.106 0.000 1.071 53 I HN 0.274 nan 8.210 nan 0.000 0.419 54 Y N 2.402 122.745 120.300 0.071 0.000 2.128 54 Y HA -0.310 4.240 4.550 -0.000 0.000 0.284 54 Y C 2.396 178.356 175.900 0.099 0.000 1.154 54 Y CA 1.851 59.999 58.100 0.079 0.000 1.149 54 Y CB -0.283 38.219 38.460 0.070 0.000 0.976 54 Y HN 0.174 nan 8.280 nan 0.000 0.505 55 N N 0.072 118.861 118.700 0.148 0.000 2.069 55 N HA -0.188 4.552 4.740 -0.000 0.000 0.191 55 N C 1.975 177.496 175.510 0.019 0.000 1.031 55 N CA 1.799 54.901 53.050 0.086 0.000 0.852 55 N CB -0.836 37.752 38.487 0.168 0.000 1.018 55 N HN 0.324 nan 8.380 nan 0.000 0.423 56 V N 0.744 120.699 119.914 0.067 0.000 2.392 56 V HA -0.170 3.950 4.120 -0.000 0.000 0.249 56 V C 2.356 178.482 176.094 0.054 0.000 1.059 56 V CA 1.144 63.492 62.300 0.080 0.000 1.051 56 V CB -0.454 31.435 31.823 0.110 0.000 0.658 56 V HN 0.089 nan 8.190 nan 0.000 0.455 57 V N -0.525 119.381 119.914 -0.013 0.000 2.379 57 V HA -0.183 3.937 4.120 -0.000 0.000 0.245 57 V C 2.394 178.462 176.094 -0.044 0.000 1.044 57 V CA 1.692 63.979 62.300 -0.022 0.000 1.036 57 V CB -0.210 31.569 31.823 -0.072 0.000 0.664 57 V HN 0.406 nan 8.190 nan 0.000 0.453 58 V N 0.069 119.868 119.914 -0.192 0.000 2.252 58 V HA -0.324 3.796 4.120 -0.000 0.000 0.249 58 V C 2.575 178.686 176.094 0.029 0.000 1.056 58 V CA 2.811 65.056 62.300 -0.092 0.000 1.022 58 V CB -1.265 30.457 31.823 -0.169 0.000 0.641 58 V HN 0.607 nan 8.190 nan 0.000 0.445 59 T N 0.446 115.000 114.554 -0.000 0.000 2.684 59 T HA -0.197 4.153 4.350 -0.000 0.000 0.267 59 T C 2.055 176.763 174.700 0.013 0.000 1.036 59 T CA 1.811 63.892 62.100 -0.030 0.000 1.148 59 T CB -0.537 68.352 68.868 0.035 0.000 0.863 59 T HN 0.588 nan 8.240 nan 0.000 0.436 60 A N 1.137 124.058 122.820 0.168 0.000 1.933 60 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 60 A C 1.976 179.696 177.584 0.226 0.000 1.175 60 A CA 2.307 54.511 52.037 0.279 0.000 0.628 60 A CB -0.970 18.186 19.000 0.259 0.000 0.814 60 A HN 0.721 nan 8.150 nan 0.000 0.444 61 H N 0.332 119.444 119.070 0.071 0.000 2.265 61 H HA -0.077 4.479 4.556 -0.000 0.000 0.295 61 H C 2.118 177.438 175.328 -0.014 0.000 1.084 61 H CA 2.556 58.630 56.048 0.043 0.000 1.261 61 H CB -0.458 29.322 29.762 0.031 0.000 1.360 61 H HN 0.352 nan 8.280 nan 0.000 0.487 62 A N -0.356 122.287 122.820 -0.295 0.000 1.930 62 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 62 A C 2.219 179.574 177.584 -0.381 0.000 1.175 62 A CA 1.451 53.141 52.037 -0.579 0.000 0.627 62 A CB -0.934 17.652 19.000 -0.691 0.000 0.815 62 A HN 0.459 nan 8.150 nan 0.000 0.443 63 F N -0.316 119.606 119.950 -0.047 0.000 2.163 63 F HA -0.066 4.461 4.527 -0.000 0.000 0.297 63 F C 2.494 178.239 175.800 -0.092 0.000 1.094 63 F CA 0.818 58.853 58.000 0.057 0.000 1.290 63 F CB -0.881 38.163 39.000 0.072 0.000 1.017 63 F HN 0.003 nan 8.300 nan 0.000 0.483 64 V N 0.267 120.285 119.914 0.173 0.000 2.250 64 V HA -0.391 3.729 4.120 -0.000 0.000 0.250 64 V C 2.547 178.632 176.094 -0.014 0.000 1.060 64 V CA 1.885 64.257 62.300 0.120 0.000 1.030 64 V CB -0.615 31.326 31.823 0.196 0.000 0.643 64 V HN 0.228 nan 8.190 nan 0.000 0.445 65 M N -0.930 118.596 119.600 -0.123 0.000 2.065 65 M HA -0.181 4.299 4.480 -0.000 0.000 0.259 65 M C 2.208 178.377 176.300 -0.217 0.000 1.071 65 M CA 2.094 57.287 55.300 -0.177 0.000 1.109 65 M CB -1.199 31.221 32.600 -0.301 0.000 1.313 65 M HN 0.275 nan 8.290 nan 0.000 0.408 66 I N -0.583 119.774 120.570 -0.355 0.000 2.052 66 I HA -0.328 3.842 4.170 -0.000 0.000 0.235 66 I C 2.214 178.001 176.117 -0.550 0.000 1.046 66 I CA 1.803 62.784 61.300 -0.531 0.000 1.308 66 I CB -0.471 37.042 38.000 -0.811 0.000 1.031 66 I HN 0.087 nan 8.210 nan 0.000 0.395 67 F N -1.151 118.598 119.950 -0.335 0.000 2.619 67 F HA 0.056 4.583 4.527 -0.000 0.000 0.293 67 F C 1.655 177.214 175.800 -0.402 0.000 1.119 67 F CA 0.545 58.282 58.000 -0.438 0.000 1.445 67 F CB -0.034 38.483 39.000 -0.804 0.000 1.119 67 F HN -0.063 nan 8.300 nan 0.000 0.573 68 F N -2.125 117.921 119.950 0.159 0.000 2.720 68 F HA 0.208 4.735 4.527 -0.000 0.000 0.301 68 F C 1.831 177.765 175.800 0.223 0.000 1.103 68 F CA 0.035 58.152 58.000 0.194 0.000 1.291 68 F CB -0.207 38.622 39.000 -0.285 0.000 1.086 68 F HN -0.083 nan 8.300 nan 0.000 0.592 69 M N -0.799 118.949 119.600 0.247 0.000 3.160 69 M HA 0.118 4.598 4.480 -0.000 0.000 0.222 69 M C 1.977 178.370 176.300 0.154 0.000 1.703 69 M CA 0.996 56.412 55.300 0.194 0.000 1.354 69 M CB -0.441 32.218 32.600 0.099 0.000 1.115 69 M HN -0.115 nan 8.290 nan 0.000 0.594 70 V N 1.904 121.844 119.914 0.042 0.000 2.237 70 V HA -0.311 3.809 4.120 -0.000 0.000 0.245 70 V C 2.516 178.639 176.094 0.048 0.000 1.046 70 V CA 2.227 64.537 62.300 0.017 0.000 1.007 70 V CB -0.764 31.005 31.823 -0.090 0.000 0.638 70 V HN 0.506 nan 8.190 nan 0.000 0.445 71 M N -0.487 119.115 119.600 0.003 0.000 2.132 71 M HA -0.062 4.418 4.480 -0.000 0.000 0.263 71 M C -0.183 176.182 176.300 0.107 0.000 1.065 71 M CA 1.996 57.307 55.300 0.018 0.000 1.122 71 M CB -1.491 31.091 32.600 -0.030 0.000 1.365 71 M HN 0.293 nan 8.290 nan 0.000 0.411 72 P HA -0.061 nan 4.420 nan 0.000 0.217 72 P C 1.416 178.870 177.300 0.257 0.000 1.151 72 P CA 1.215 64.501 63.100 0.310 0.000 0.828 72 P CB -0.106 31.961 31.700 0.611 0.000 0.788 73 I N -1.571 119.171 120.570 0.288 0.000 2.090 73 I HA -0.263 3.907 4.170 -0.000 0.000 0.236 73 I C 2.520 178.841 176.117 0.339 0.000 1.064 73 I CA 1.772 63.246 61.300 0.290 0.000 1.324 73 I CB -0.568 37.621 38.000 0.316 0.000 1.044 73 I HN -0.109 nan 8.210 nan 0.000 0.399 74 M N -0.051 119.741 119.600 0.320 0.000 2.080 74 M HA -0.214 4.266 4.480 -0.000 0.000 0.260 74 M C 2.192 178.638 176.300 0.243 0.000 1.068 74 M CA 2.154 57.657 55.300 0.338 0.000 1.109 74 M CB -0.184 32.515 32.600 0.166 0.000 1.342 74 M HN 0.226 nan 8.290 nan 0.000 0.405 75 I N -1.985 118.622 120.570 0.062 0.000 3.039 75 I HA 0.054 4.224 4.170 -0.000 0.000 0.270 75 I C 2.460 178.518 176.117 -0.099 0.000 1.150 75 I CA 0.705 61.950 61.300 -0.092 0.000 1.448 75 I CB -0.602 37.328 38.000 -0.117 0.000 1.197 75 I HN 0.254 nan 8.210 nan 0.000 0.450 76 G N 0.519 109.140 108.800 -0.299 0.000 2.421 76 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.217 76 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.217 76 G C 1.515 176.161 174.900 -0.423 0.000 1.143 76 G CA 0.829 45.376 45.100 -0.922 0.000 0.784 76 G HN 0.463 nan 8.290 nan 0.000 0.541 77 G N 0.424 109.177 108.800 -0.079 0.000 2.610 77 G HA2 0.117 4.077 3.960 -0.000 0.000 0.215 77 G HA3 0.117 4.077 3.960 -0.000 0.000 0.215 77 G C 1.424 176.314 174.900 -0.017 0.000 1.243 77 G CA 0.180 45.279 45.100 -0.003 0.000 0.847 77 G HN 0.264 nan 8.290 nan 0.000 0.560 78 F N 1.820 121.848 119.950 0.130 0.000 2.293 78 F HA 0.081 4.608 4.527 -0.000 0.000 0.300 78 F C 2.845 178.762 175.800 0.195 0.000 1.086 78 F CA 0.795 58.850 58.000 0.092 0.000 1.375 78 F CB -0.103 38.904 39.000 0.011 0.000 1.045 78 F HN 0.240 nan 8.300 nan 0.000 0.516 79 G N -0.103 108.920 108.800 0.372 0.000 2.404 79 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.215 79 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.215 79 G C 1.652 176.839 174.900 0.478 0.000 1.174 79 G CA 0.677 45.920 45.100 0.238 0.000 0.780 79 G HN 0.212 nan 8.290 nan 0.000 0.537 80 N N -0.063 118.900 118.700 0.438 0.000 2.120 80 N HA -0.099 4.641 4.740 -0.000 0.000 0.188 80 N C 1.931 177.585 175.510 0.240 0.000 1.024 80 N CA 0.892 54.110 53.050 0.281 0.000 0.852 80 N CB -0.266 38.281 38.487 0.098 0.000 1.003 80 N HN 0.537 nan 8.380 nan 0.000 0.424 81 W N 1.514 122.813 121.300 -0.003 0.000 2.354 81 W HA -0.012 4.648 4.660 -0.000 0.000 0.315 81 W C 2.190 178.753 176.519 0.073 0.000 1.206 81 W CA 0.703 57.984 57.345 -0.107 0.000 1.290 81 W CB -0.347 28.789 29.460 -0.541 0.000 1.152 81 W HN 0.004 nan 8.180 nan 0.000 0.489 82 L N -1.498 119.925 121.223 0.334 0.000 2.249 82 L HA -0.087 4.253 4.340 -0.000 0.000 0.207 82 L C 2.042 179.038 176.870 0.210 0.000 1.090 82 L CA 0.226 55.172 54.840 0.177 0.000 0.802 82 L CB -1.187 40.781 42.059 -0.151 0.000 0.947 82 L HN -0.182 nan 8.230 nan 0.000 0.453 83 V N 0.767 120.839 119.914 0.263 0.000 2.261 83 V HA -0.137 3.983 4.120 -0.000 0.000 0.246 83 V C -0.174 175.941 176.094 0.035 0.000 1.047 83 V CA 2.034 64.440 62.300 0.176 0.000 1.015 83 V CB -1.425 30.529 31.823 0.219 0.000 0.642 83 V HN 0.317 nan 8.190 nan 0.000 0.446 84 P HA -0.140 nan 4.420 nan 0.000 0.216 84 P C 1.862 179.061 177.300 -0.168 0.000 1.150 84 P CA 1.457 64.394 63.100 -0.271 0.000 0.837 84 P CB -0.060 31.197 31.700 -0.739 0.000 0.786 85 L N -1.991 119.258 121.223 0.042 0.000 2.056 85 L HA -0.089 4.251 4.340 -0.000 0.000 0.207 85 L C 2.486 179.399 176.870 0.072 0.000 1.078 85 L CA 1.432 56.392 54.840 0.201 0.000 0.749 85 L CB -0.789 41.465 42.059 0.324 0.000 0.901 85 L HN -0.030 nan 8.230 nan 0.000 0.433 86 M N -0.172 119.477 119.600 0.082 0.000 2.557 86 M HA -0.066 4.414 4.480 -0.000 0.000 0.259 86 M C 1.753 178.058 176.300 0.008 0.000 1.086 86 M CA 1.267 56.635 55.300 0.114 0.000 1.096 86 M CB 0.029 32.745 32.600 0.193 0.000 1.424 86 M HN 0.362 nan 8.290 nan 0.000 0.488 87 I N -4.542 115.957 120.570 -0.119 0.000 4.025 87 I HA 0.458 4.628 4.170 -0.000 0.000 0.336 87 I C 0.913 176.805 176.117 -0.376 0.000 1.390 87 I CA 0.137 61.325 61.300 -0.188 0.000 1.099 87 I CB 0.037 37.941 38.000 -0.160 0.000 1.049 87 I HN 0.295 nan 8.210 nan 0.000 0.394 88 G N 1.933 110.297 108.800 -0.727 0.000 2.147 88 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.244 88 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.244 88 G C 0.301 174.574 174.900 -1.046 0.000 1.005 88 G CA 0.118 44.287 45.100 -1.551 0.000 0.713 88 G HN 0.940 nan 8.290 nan 0.000 0.515 89 A N 0.269 122.729 122.820 -0.600 0.000 2.302 89 A HA 0.840 5.160 4.320 -0.000 0.000 0.285 89 A C -0.164 177.343 177.584 -0.128 0.000 1.105 89 A CA -0.811 51.049 52.037 -0.294 0.000 0.816 89 A CB 1.086 19.930 19.000 -0.261 0.000 1.067 89 A HN 0.123 nan 8.150 nan 0.000 0.489 90 P HA 0.035 nan 4.420 nan 0.000 0.231 90 P C -0.041 177.253 177.300 -0.010 0.000 1.168 90 P CA 0.979 64.117 63.100 0.064 0.000 0.779 90 P CB 0.460 32.188 31.700 0.046 0.000 0.844 91 D N -2.410 117.895 120.400 -0.159 0.000 2.879 91 D HA 0.130 4.770 4.640 -0.000 0.000 0.346 91 D C -0.485 175.631 176.300 -0.307 0.000 1.390 91 D CA -0.499 53.365 54.000 -0.226 0.000 0.838 91 D CB 0.635 41.398 40.800 -0.062 0.000 1.416 91 D HN -0.330 nan 8.370 nan 0.000 0.493 92 M N 0.983 120.414 119.600 -0.281 0.000 2.157 92 M HA 0.265 4.745 4.480 -0.000 0.000 0.304 92 M C 1.341 177.445 176.300 -0.326 0.000 1.171 92 M CA 0.168 55.278 55.300 -0.317 0.000 1.157 92 M CB 0.195 32.609 32.600 -0.309 0.000 1.403 92 M HN 0.609 nan 8.290 nan 0.000 0.473 93 A N 1.208 123.733 122.820 -0.493 0.000 1.930 93 A HA -0.044 4.276 4.320 -0.000 0.000 0.217 93 A C 0.471 177.674 177.584 -0.636 0.000 1.175 93 A CA 1.492 53.104 52.037 -0.708 0.000 0.627 93 A CB -0.199 18.065 19.000 -1.225 0.000 0.815 93 A HN 0.570 nan 8.150 nan 0.000 0.443 94 F N -0.989 118.895 119.950 -0.110 0.000 2.449 94 F HA 0.381 4.908 4.527 -0.000 0.000 0.344 94 F C -2.190 173.565 175.800 -0.075 0.000 1.180 94 F CA -2.923 55.030 58.000 -0.078 0.000 1.209 94 F CB 1.166 40.124 39.000 -0.070 0.000 1.440 94 F HN 0.033 nan 8.300 nan 0.000 0.526 95 P HA -0.062 nan 4.420 nan 0.000 0.229 95 P C 1.728 179.051 177.300 0.038 0.000 1.160 95 P CA 0.938 64.045 63.100 0.011 0.000 0.777 95 P CB 0.359 32.053 31.700 -0.009 0.000 0.814 96 R N -0.556 119.982 120.500 0.064 0.000 2.105 96 R HA 0.155 4.495 4.340 -0.000 0.000 0.214 96 R C 2.220 178.559 176.300 0.066 0.000 1.091 96 R CA 0.561 56.693 56.100 0.054 0.000 1.007 96 R CB -0.659 29.659 30.300 0.029 0.000 0.912 96 R HN 0.010 nan 8.270 nan 0.000 0.450 97 M N 1.306 120.948 119.600 0.071 0.000 2.149 97 M HA -0.200 4.280 4.480 -0.000 0.000 0.261 97 M C 1.684 178.037 176.300 0.088 0.000 1.064 97 M CA 1.831 57.169 55.300 0.062 0.000 1.102 97 M CB -0.232 32.396 32.600 0.048 0.000 1.369 97 M HN 0.141 nan 8.290 nan 0.000 0.408 98 N N 0.863 119.615 118.700 0.088 0.000 2.132 98 N HA -0.238 4.502 4.740 -0.000 0.000 0.191 98 N C 1.315 176.903 175.510 0.130 0.000 1.015 98 N CA 1.853 54.950 53.050 0.079 0.000 0.864 98 N CB -0.423 38.071 38.487 0.012 0.000 1.006 98 N HN 0.422 nan 8.380 nan 0.000 0.430 99 N N -0.168 118.609 118.700 0.129 0.000 2.188 99 N HA -0.060 4.680 4.740 -0.000 0.000 0.184 99 N C 1.688 177.353 175.510 0.259 0.000 1.018 99 N CA 0.824 53.992 53.050 0.195 0.000 0.858 99 N CB -0.209 38.415 38.487 0.229 0.000 0.989 99 N HN 0.369 nan 8.380 nan 0.000 0.426 100 M N -0.643 119.072 119.600 0.191 0.000 2.254 100 M HA -0.032 4.448 4.480 -0.000 0.000 0.265 100 M C 1.626 177.995 176.300 0.114 0.000 1.066 100 M CA 0.988 56.390 55.300 0.169 0.000 1.123 100 M CB 0.018 32.680 32.600 0.103 0.000 1.388 100 M HN 0.023 nan 8.290 nan 0.000 0.425 101 S N 0.393 116.166 115.700 0.122 0.000 2.382 101 S HA -0.148 4.322 4.470 -0.000 0.000 0.228 101 S C 1.422 176.042 174.600 0.034 0.000 1.027 101 S CA 1.307 59.585 58.200 0.131 0.000 0.991 101 S CB -0.498 62.841 63.200 0.231 0.000 0.823 101 S HN 0.615 nan 8.310 nan 0.000 0.469 102 F N 0.852 120.678 119.950 -0.206 0.000 2.051 102 F HA -0.089 4.438 4.527 -0.000 0.000 0.296 102 F C 1.701 177.122 175.800 -0.631 0.000 1.122 102 F CA 1.294 58.841 58.000 -0.756 0.000 1.201 102 F CB -0.650 37.718 39.000 -1.053 0.000 0.978 102 F HN 0.238 nan 8.300 nan 0.000 0.472 103 W N 0.431 121.525 121.300 -0.343 0.000 2.525 103 W HA -0.036 4.624 4.660 -0.000 0.000 0.259 103 W C 2.115 178.447 176.519 -0.310 0.000 1.253 103 W CA 0.406 57.547 57.345 -0.340 0.000 1.262 103 W CB -0.374 29.073 29.460 -0.023 0.000 1.122 103 W HN 0.048 nan 8.180 nan 0.000 0.607 104 L N -0.208 120.960 121.223 -0.093 0.000 2.275 104 L HA -0.207 4.133 4.340 -0.000 0.000 0.215 104 L C 2.126 178.924 176.870 -0.120 0.000 1.119 104 L CA 0.842 55.653 54.840 -0.048 0.000 0.790 104 L CB -0.523 41.534 42.059 -0.004 0.000 0.919 104 L HN 0.087 nan 8.230 nan 0.000 0.443 105 L N -0.482 120.515 121.223 -0.376 0.000 2.027 105 L HA -0.115 4.225 4.340 -0.000 0.000 0.206 105 L C -0.159 176.594 176.870 -0.195 0.000 1.074 105 L CA 1.175 55.782 54.840 -0.388 0.000 0.745 105 L CB -1.853 39.664 42.059 -0.904 0.000 0.898 105 L HN 0.206 nan 8.230 nan 0.000 0.433 106 P HA -0.108 nan 4.420 nan 0.000 0.215 106 P C -1.363 175.989 177.300 0.087 0.000 1.157 106 P CA 1.490 64.651 63.100 0.101 0.000 0.868 106 P CB -1.168 30.604 31.700 0.119 0.000 0.788 107 P HA -0.153 nan 4.420 nan 0.000 0.216 107 P C 1.848 179.204 177.300 0.093 0.000 1.150 107 P CA 1.728 64.866 63.100 0.065 0.000 0.837 107 P CB -0.492 31.237 31.700 0.048 0.000 0.786 108 S N -1.740 114.026 115.700 0.110 0.000 2.383 108 S HA -0.124 4.346 4.470 -0.000 0.000 0.227 108 S C 1.803 176.516 174.600 0.189 0.000 1.026 108 S CA 0.658 58.967 58.200 0.181 0.000 0.981 108 S CB -1.067 62.302 63.200 0.283 0.000 0.818 108 S HN 0.058 nan 8.310 nan 0.000 0.472 109 F N 0.803 120.619 119.950 -0.223 0.000 2.146 109 F HA -0.076 4.451 4.527 -0.000 0.000 0.298 109 F C 2.035 177.779 175.800 -0.094 0.000 1.096 109 F CA 0.821 58.556 58.000 -0.442 0.000 1.275 109 F CB -0.076 38.583 39.000 -0.568 0.000 1.008 109 F HN 0.301 nan 8.300 nan 0.000 0.480 110 L N 0.848 122.174 121.223 0.172 0.000 2.017 110 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 110 L C 1.988 178.935 176.870 0.129 0.000 1.073 110 L CA 1.708 56.600 54.840 0.087 0.000 0.745 110 L CB -0.941 41.146 42.059 0.046 0.000 0.894 110 L HN 0.140 nan 8.230 nan 0.000 0.432 111 L N -1.278 120.031 121.223 0.143 0.000 2.042 111 L HA -0.242 4.098 4.340 -0.000 0.000 0.210 111 L C 2.515 179.485 176.870 0.166 0.000 1.076 111 L CA 1.210 56.138 54.840 0.147 0.000 0.749 111 L CB -0.749 41.402 42.059 0.152 0.000 0.893 111 L HN 0.350 nan 8.230 nan 0.000 0.432 112 L N -0.308 121.050 121.223 0.224 0.000 2.027 112 L HA -0.184 4.156 4.340 -0.000 0.000 0.206 112 L C 2.338 179.360 176.870 0.254 0.000 1.074 112 L CA 1.630 56.617 54.840 0.245 0.000 0.745 112 L CB -0.320 41.979 42.059 0.399 0.000 0.898 112 L HN 0.094 nan 8.230 nan 0.000 0.433 113 L N -0.876 120.513 121.223 0.276 0.000 2.131 113 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 113 L C 2.626 179.581 176.870 0.140 0.000 1.092 113 L CA 1.038 55.998 54.840 0.201 0.000 0.759 113 L CB -0.858 41.278 42.059 0.128 0.000 0.903 113 L HN 0.386 nan 8.230 nan 0.000 0.435 114 A N 0.216 123.113 122.820 0.127 0.000 1.902 114 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 114 A C 2.539 180.188 177.584 0.109 0.000 1.181 114 A CA 1.942 54.041 52.037 0.103 0.000 0.623 114 A CB -0.757 18.301 19.000 0.097 0.000 0.818 114 A HN 0.516 nan 8.150 nan 0.000 0.443 115 S N 0.602 116.374 115.700 0.120 0.000 2.400 115 S HA -0.194 4.276 4.470 -0.000 0.000 0.232 115 S C 2.006 176.677 174.600 0.117 0.000 1.025 115 S CA 2.006 60.273 58.200 0.111 0.000 0.993 115 S CB -0.862 62.399 63.200 0.101 0.000 0.808 115 S HN 0.998 nan 8.310 nan 0.000 0.478 116 S N 0.255 116.033 115.700 0.130 0.000 2.496 116 S HA 0.208 4.678 4.470 -0.000 0.000 0.224 116 S C 1.781 176.444 174.600 0.104 0.000 0.996 116 S CA 0.334 58.610 58.200 0.127 0.000 0.927 116 S CB -0.287 63.000 63.200 0.145 0.000 0.774 116 S HN 0.375 nan 8.310 nan 0.000 0.524 117 M N 1.984 121.641 119.600 0.095 0.000 2.447 117 M HA 0.300 4.780 4.480 -0.000 0.000 0.266 117 M C 0.977 177.319 176.300 0.070 0.000 1.120 117 M CA 0.370 55.716 55.300 0.077 0.000 1.166 117 M CB -0.498 32.144 32.600 0.070 0.000 1.349 117 M HN 0.389 nan 8.290 nan 0.000 0.463 118 V N -0.687 119.271 119.914 0.075 0.000 2.785 118 V HA 0.330 4.450 4.120 -0.000 0.000 0.300 118 V C 0.907 177.044 176.094 0.072 0.000 1.062 118 V CA -1.008 61.333 62.300 0.068 0.000 1.029 118 V CB 0.850 32.715 31.823 0.071 0.000 1.024 118 V HN 0.552 nan 8.190 nan 0.000 0.477 119 E N 2.356 122.593 120.200 0.062 0.000 3.374 119 E HA -0.357 3.993 4.350 -0.000 0.000 0.375 119 E C 0.934 177.572 176.600 0.062 0.000 1.535 119 E CA 2.138 58.574 56.400 0.059 0.000 1.664 119 E CB -1.613 28.128 29.700 0.068 0.000 1.707 119 E HN 1.525 nan 8.360 nan 0.000 0.469 120 A N 1.530 124.393 122.820 0.071 0.000 2.535 120 A HA 0.520 4.840 4.320 -0.000 0.000 0.273 120 A C 0.828 178.480 177.584 0.114 0.000 1.267 120 A CA 1.445 53.527 52.037 0.075 0.000 0.940 120 A CB 0.081 19.108 19.000 0.044 0.000 1.101 120 A HN 1.369 nan 8.150 nan 0.000 0.521 121 G N -1.053 107.824 108.800 0.128 0.000 2.796 121 G HA2 0.346 4.306 3.960 -0.000 0.000 0.571 121 G HA3 0.346 4.306 3.960 -0.000 0.000 0.571 121 G C -0.003 175.014 174.900 0.195 0.000 1.370 121 G CA -0.338 44.850 45.100 0.147 0.000 0.856 121 G HN 1.765 nan 8.290 nan 0.000 0.538 122 A N 0.098 123.004 122.820 0.143 0.000 2.322 122 A HA 0.767 5.087 4.320 -0.000 0.000 0.327 122 A C 0.764 178.373 177.584 0.042 0.000 1.394 122 A CA 0.752 52.813 52.037 0.041 0.000 0.921 122 A CB 0.735 19.731 19.000 -0.008 0.000 1.153 122 A HN 2.334 nan 8.150 nan 0.000 0.523 123 G N 1.649 110.543 108.800 0.156 0.000 4.126 123 G HA2 0.377 4.337 3.960 -0.000 0.000 0.282 123 G HA3 0.377 4.337 3.960 -0.000 0.000 0.282 123 G C 0.627 175.568 174.900 0.067 0.000 1.221 123 G CA 0.474 45.675 45.100 0.168 0.000 1.527 123 G HN 0.764 nan 8.290 nan 0.000 0.612 124 T N -2.546 111.958 114.554 -0.083 0.000 2.990 124 T HA 0.489 4.839 4.350 -0.000 0.000 0.250 124 T C 1.225 175.843 174.700 -0.137 0.000 1.041 124 T CA 0.388 62.393 62.100 -0.159 0.000 1.010 124 T CB 0.685 69.396 68.868 -0.260 0.000 1.003 124 T HN 1.527 nan 8.240 nan 0.000 0.499 125 G N 1.822 110.564 108.800 -0.096 0.000 2.705 125 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.686 125 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.686 125 G C 0.248 175.007 174.900 -0.235 0.000 1.285 125 G CA -0.278 44.741 45.100 -0.135 0.000 0.800 125 G HN 0.617 nan 8.290 nan 0.000 0.611 126 W N 0.793 121.788 121.300 -0.508 0.000 2.721 126 W HA -0.013 4.647 4.660 -0.000 0.000 0.245 126 W C 1.398 177.623 176.519 -0.491 0.000 1.276 126 W CA 1.763 58.589 57.345 -0.864 0.000 1.342 126 W CB -1.346 27.543 29.460 -0.952 0.000 1.135 126 W HN 1.014 nan 8.180 nan 0.000 0.654 127 T N -1.518 112.371 114.554 -1.109 0.000 3.067 127 T HA 0.054 4.404 4.350 -0.000 0.000 0.257 127 T C 1.219 175.343 174.700 -0.960 0.000 1.105 127 T CA 0.704 61.785 62.100 -1.698 0.000 1.104 127 T CB -0.669 67.184 68.868 -1.693 0.000 0.925 127 T HN 0.074 nan 8.240 nan 0.000 0.498 128 V N 0.923 120.513 119.914 -0.540 0.000 4.935 128 V HA -0.237 3.883 4.120 -0.000 0.000 0.273 128 V C 0.286 176.130 176.094 -0.418 0.000 0.517 128 V CA 0.352 62.469 62.300 -0.304 0.000 0.745 128 V CB -2.884 28.861 31.823 -0.131 0.000 0.647 128 V HN 0.716 nan 8.190 nan 0.000 1.220 129 Y N 1.633 121.605 120.300 -0.548 0.000 2.712 129 Y HA 0.145 4.695 4.550 -0.000 0.000 0.333 129 Y C -0.829 174.758 175.900 -0.522 0.000 1.225 129 Y CA -1.386 56.346 58.100 -0.613 0.000 1.499 129 Y CB 0.760 39.048 38.460 -0.286 0.000 1.288 129 Y HN 0.276 nan 8.280 nan 0.000 0.575 130 P HA 0.153 nan 4.420 nan 0.000 0.278 130 P C -2.426 174.825 177.300 -0.083 0.000 1.258 130 P CA -1.936 61.038 63.100 -0.210 0.000 0.811 130 P CB 1.042 32.623 31.700 -0.197 0.000 1.063 131 P HA 0.067 nan 4.420 nan 0.000 0.249 131 P C 1.447 178.773 177.300 0.043 0.000 1.229 131 P CA -0.026 63.090 63.100 0.027 0.000 0.788 131 P CB -0.084 31.645 31.700 0.049 0.000 1.072 132 L N 0.856 122.111 121.223 0.054 0.000 2.043 132 L HA -0.137 4.203 4.340 -0.000 0.000 0.212 132 L C 1.933 178.893 176.870 0.150 0.000 1.075 132 L CA 2.100 57.010 54.840 0.116 0.000 0.752 132 L CB -1.401 40.718 42.059 0.099 0.000 0.891 132 L HN -0.032 nan 8.230 nan 0.000 0.432 133 A N -1.021 121.789 122.820 -0.017 0.000 2.259 133 A HA 0.417 4.737 4.320 -0.000 0.000 0.208 133 A C 1.316 178.889 177.584 -0.018 0.000 1.201 133 A CA 0.370 52.348 52.037 -0.097 0.000 0.824 133 A CB -1.319 17.547 19.000 -0.223 0.000 0.838 133 A HN 0.477 nan 8.150 nan 0.000 0.485 134 G N -0.032 108.789 108.800 0.035 0.000 2.621 134 G HA2 0.293 4.253 3.960 -0.000 0.000 0.271 134 G HA3 0.293 4.253 3.960 -0.000 0.000 0.271 134 G C 0.481 175.424 174.900 0.073 0.000 1.236 134 G CA 0.060 45.191 45.100 0.051 0.000 0.958 134 G HN 0.462 nan 8.290 nan 0.000 0.512 135 N N -0.719 118.016 118.700 0.059 0.000 2.449 135 N HA 0.003 4.743 4.740 -0.000 0.000 0.191 135 N C 1.187 176.726 175.510 0.048 0.000 1.161 135 N CA 0.106 53.190 53.050 0.056 0.000 0.863 135 N CB 0.374 38.888 38.487 0.044 0.000 0.980 135 N HN 0.272 nan 8.380 nan 0.000 0.458 136 L N -0.405 120.845 121.223 0.046 0.000 2.433 136 L HA 0.505 4.845 4.340 -0.000 0.000 0.200 136 L C 1.916 178.799 176.870 0.021 0.000 1.059 136 L CA 0.970 55.828 54.840 0.031 0.000 0.835 136 L CB -0.957 41.120 42.059 0.030 0.000 1.076 136 L HN 0.132 nan 8.230 nan 0.000 0.481 137 A N -1.925 120.917 122.820 0.037 0.000 2.169 137 A HA 0.005 4.325 4.320 -0.000 0.000 0.212 137 A C 0.233 177.793 177.584 -0.039 0.000 1.153 137 A CA 0.675 52.720 52.037 0.015 0.000 0.756 137 A CB -0.694 18.345 19.000 0.065 0.000 0.813 137 A HN 0.630 nan 8.150 nan 0.000 0.471 138 H N -1.030 118.049 119.070 0.014 0.000 2.712 138 H HA 0.514 5.070 4.556 -0.000 0.000 0.226 138 H C 0.219 175.557 175.328 0.016 0.000 1.422 138 H CA -0.118 55.939 56.048 0.015 0.000 1.270 138 H CB 0.380 30.147 29.762 0.009 0.000 1.891 138 H HN 0.417 nan 8.280 nan 0.000 0.518 139 A N 0.888 123.742 122.820 0.055 0.000 2.507 139 A HA 0.520 4.840 4.320 -0.000 0.000 0.235 139 A C 1.177 178.797 177.584 0.060 0.000 1.070 139 A CA 0.918 52.984 52.037 0.049 0.000 0.768 139 A CB -0.306 18.708 19.000 0.023 0.000 1.011 139 A HN 0.916 nan 8.150 nan 0.000 0.502 140 G N -0.754 108.080 108.800 0.057 0.000 2.685 140 G HA2 0.310 4.270 3.960 -0.000 0.000 0.387 140 G HA3 0.310 4.270 3.960 -0.000 0.000 0.387 140 G C 0.772 175.714 174.900 0.070 0.000 1.324 140 G CA 0.308 45.445 45.100 0.061 0.000 0.878 140 G HN 2.049 nan 8.290 nan 0.000 0.527 141 A N -0.630 122.235 122.820 0.074 0.000 2.067 141 A HA 0.336 4.656 4.320 -0.000 0.000 0.217 141 A C 2.659 180.289 177.584 0.077 0.000 1.156 141 A CA 2.451 54.537 52.037 0.082 0.000 0.683 141 A CB -0.544 18.510 19.000 0.090 0.000 0.808 141 A HN 1.503 nan 8.150 nan 0.000 0.455 142 S N -0.263 115.488 115.700 0.085 0.000 2.359 142 S HA -0.159 4.311 4.470 -0.000 0.000 0.224 142 S C 1.867 176.491 174.600 0.039 0.000 1.035 142 S CA 1.594 59.845 58.200 0.084 0.000 1.018 142 S CB -0.454 62.818 63.200 0.120 0.000 0.876 142 S HN 0.356 nan 8.310 nan 0.000 0.448 143 V N 2.340 122.262 119.914 0.014 0.000 2.427 143 V HA -0.156 3.964 4.120 -0.000 0.000 0.248 143 V C 1.989 178.012 176.094 -0.118 0.000 1.051 143 V CA 1.688 63.950 62.300 -0.064 0.000 1.048 143 V CB -0.589 31.186 31.823 -0.080 0.000 0.666 143 V HN 0.414 nan 8.190 nan 0.000 0.456 144 D N -0.233 120.105 120.400 -0.103 0.000 2.149 144 D HA -0.072 4.568 4.640 -0.000 0.000 0.201 144 D C 2.167 178.338 176.300 -0.214 0.000 0.972 144 D CA 0.929 54.784 54.000 -0.242 0.000 0.835 144 D CB -0.043 40.692 40.800 -0.108 0.000 0.966 144 D HN 0.335 nan 8.370 nan 0.000 0.476 145 L N 0.749 121.990 121.223 0.029 0.000 2.046 145 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 145 L C 2.544 179.436 176.870 0.037 0.000 1.077 145 L CA 1.166 56.095 54.840 0.148 0.000 0.747 145 L CB -0.593 41.542 42.059 0.127 0.000 0.896 145 L HN 0.018 nan 8.230 nan 0.000 0.432 146 T N 0.098 114.618 114.554 -0.057 0.000 2.684 146 T HA -0.197 4.153 4.350 -0.000 0.000 0.267 146 T C 1.877 176.398 174.700 -0.298 0.000 1.036 146 T CA 1.534 63.531 62.100 -0.171 0.000 1.148 146 T CB -0.236 68.540 68.868 -0.153 0.000 0.863 146 T HN 0.183 nan 8.240 nan 0.000 0.436 147 I N 0.246 120.611 120.570 -0.341 0.000 2.127 147 I HA -0.164 4.006 4.170 -0.000 0.000 0.241 147 I C 2.046 177.904 176.117 -0.432 0.000 1.075 147 I CA 1.447 62.462 61.300 -0.476 0.000 1.334 147 I CB -0.428 37.235 38.000 -0.562 0.000 1.040 147 I HN 0.155 nan 8.210 nan 0.000 0.405 148 F N 0.468 120.345 119.950 -0.120 0.000 2.250 148 F HA -0.250 4.277 4.527 -0.000 0.000 0.301 148 F C 2.909 178.688 175.800 -0.036 0.000 1.077 148 F CA 1.528 59.527 58.000 -0.002 0.000 1.348 148 F CB -1.256 37.775 39.000 0.051 0.000 1.040 148 F HN 0.063 nan 8.300 nan 0.000 0.509 149 S N 0.051 115.796 115.700 0.076 0.000 2.382 149 S HA -0.127 4.343 4.470 -0.000 0.000 0.228 149 S C 2.091 176.630 174.600 -0.102 0.000 1.027 149 S CA 1.034 59.254 58.200 0.033 0.000 0.991 149 S CB -0.316 62.879 63.200 -0.009 0.000 0.823 149 S HN 0.379 nan 8.310 nan 0.000 0.469 150 L N -0.074 120.968 121.223 -0.302 0.000 2.131 150 L HA 0.012 4.352 4.340 -0.000 0.000 0.206 150 L C 2.432 179.156 176.870 -0.243 0.000 1.087 150 L CA 1.277 55.827 54.840 -0.483 0.000 0.767 150 L CB -0.622 41.069 42.059 -0.614 0.000 0.917 150 L HN 0.445 nan 8.230 nan 0.000 0.441 151 H N -0.194 118.814 119.070 -0.103 0.000 2.293 151 H HA -0.157 4.399 4.556 -0.000 0.000 0.300 151 H C 2.377 177.701 175.328 -0.005 0.000 1.082 151 H CA 1.284 57.315 56.048 -0.029 0.000 1.308 151 H CB 0.110 29.927 29.762 0.093 0.000 1.375 151 H HN 0.157 nan 8.280 nan 0.000 0.495 152 L N 0.127 121.451 121.223 0.168 0.000 2.013 152 L HA -0.249 4.091 4.340 -0.000 0.000 0.212 152 L C 2.847 179.771 176.870 0.089 0.000 1.073 152 L CA 1.169 56.072 54.840 0.105 0.000 0.753 152 L CB -0.741 41.379 42.059 0.101 0.000 0.890 152 L HN 0.378 nan 8.230 nan 0.000 0.432 153 A N 0.270 123.137 122.820 0.079 0.000 1.930 153 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 153 A C 2.411 180.055 177.584 0.100 0.000 1.175 153 A CA 1.591 53.694 52.037 0.109 0.000 0.627 153 A CB -1.080 17.943 19.000 0.038 0.000 0.815 153 A HN 0.457 nan 8.150 nan 0.000 0.443 154 G N -0.379 108.444 108.800 0.039 0.000 2.433 154 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.216 154 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.216 154 G C 1.510 176.452 174.900 0.070 0.000 1.186 154 G CA 1.272 46.397 45.100 0.042 0.000 0.779 154 G HN 0.310 nan 8.290 nan 0.000 0.543 155 V N 1.057 121.009 119.914 0.064 0.000 2.332 155 V HA -0.208 3.912 4.120 -0.000 0.000 0.248 155 V C 3.071 179.210 176.094 0.074 0.000 1.055 155 V CA 2.257 64.591 62.300 0.057 0.000 1.038 155 V CB -0.523 31.323 31.823 0.037 0.000 0.651 155 V HN 0.522 nan 8.190 nan 0.000 0.450 156 S N -0.287 115.466 115.700 0.088 0.000 2.359 156 S HA -0.233 4.237 4.470 -0.000 0.000 0.224 156 S C 2.157 176.842 174.600 0.142 0.000 1.035 156 S CA 2.376 60.641 58.200 0.109 0.000 1.018 156 S CB -0.298 62.967 63.200 0.108 0.000 0.876 156 S HN 0.589 nan 8.310 nan 0.000 0.448 157 S N 0.585 116.374 115.700 0.149 0.000 2.425 157 S HA 0.221 4.691 4.470 -0.000 0.000 0.225 157 S C 1.715 176.404 174.600 0.147 0.000 1.024 157 S CA 0.796 59.094 58.200 0.163 0.000 0.951 157 S CB -0.314 62.991 63.200 0.175 0.000 0.796 157 S HN 0.520 nan 8.310 nan 0.000 0.498 158 I N 1.636 122.278 120.570 0.120 0.000 2.163 158 I HA -0.172 3.998 4.170 -0.000 0.000 0.240 158 I C 1.929 178.106 176.117 0.100 0.000 1.081 158 I CA 1.126 62.489 61.300 0.104 0.000 1.353 158 I CB -0.361 37.685 38.000 0.076 0.000 1.054 158 I HN 0.228 nan 8.210 nan 0.000 0.407 159 L N 0.308 121.583 121.223 0.086 0.000 2.131 159 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 159 L C 2.642 179.579 176.870 0.111 0.000 1.092 159 L CA 1.453 56.341 54.840 0.081 0.000 0.759 159 L CB -1.296 40.798 42.059 0.059 0.000 0.903 159 L HN 0.354 nan 8.230 nan 0.000 0.435 160 G N -0.204 108.678 108.800 0.136 0.000 2.404 160 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.215 160 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.215 160 G C 1.817 176.843 174.900 0.210 0.000 1.174 160 G CA 0.795 45.989 45.100 0.156 0.000 0.780 160 G HN 0.449 nan 8.290 nan 0.000 0.537 161 A N 0.946 123.895 122.820 0.216 0.000 1.865 161 A HA -0.012 4.308 4.320 -0.000 0.000 0.217 161 A C 2.405 180.098 177.584 0.182 0.000 1.191 161 A CA 1.440 53.609 52.037 0.221 0.000 0.623 161 A CB -0.449 18.649 19.000 0.164 0.000 0.826 161 A HN 0.369 nan 8.150 nan 0.000 0.444 162 I N -0.154 120.506 120.570 0.150 0.000 2.361 162 I HA -0.252 3.918 4.170 -0.000 0.000 0.251 162 I C 2.413 178.634 176.117 0.173 0.000 1.133 162 I CA 1.229 62.621 61.300 0.155 0.000 1.413 162 I CB -0.431 37.655 38.000 0.144 0.000 1.073 162 I HN 0.367 nan 8.210 nan 0.000 0.424 163 N N 1.052 119.834 118.700 0.138 0.000 2.120 163 N HA -0.169 4.571 4.740 -0.000 0.000 0.188 163 N C 1.859 177.251 175.510 -0.198 0.000 1.024 163 N CA 1.678 54.719 53.050 -0.015 0.000 0.852 163 N CB -0.225 38.202 38.487 -0.100 0.000 1.003 163 N HN 0.237 nan 8.380 nan 0.000 0.424 164 F N 1.048 120.984 119.950 -0.022 0.000 2.084 164 F HA 0.011 4.538 4.527 -0.000 0.000 0.296 164 F C 2.338 178.082 175.800 -0.094 0.000 1.111 164 F CA 0.617 58.571 58.000 -0.076 0.000 1.224 164 F CB -0.219 38.742 39.000 -0.066 0.000 0.991 164 F HN -0.021 nan 8.300 nan 0.000 0.471 165 I N -0.343 120.310 120.570 0.137 0.000 2.118 165 I HA -0.375 3.795 4.170 -0.000 0.000 0.241 165 I C 2.277 178.378 176.117 -0.027 0.000 1.070 165 I CA 1.889 63.215 61.300 0.043 0.000 1.327 165 I CB -1.052 36.985 38.000 0.062 0.000 1.034 165 I HN 0.144 nan 8.210 nan 0.000 0.405 166 T N -0.261 114.265 114.554 -0.047 0.000 2.788 166 T HA -0.165 4.185 4.350 -0.000 0.000 0.268 166 T C 1.918 176.494 174.700 -0.208 0.000 1.044 166 T CA 1.962 63.988 62.100 -0.124 0.000 1.139 166 T CB -0.362 68.384 68.868 -0.204 0.000 0.867 166 T HN 0.375 nan 8.240 nan 0.000 0.454 167 T N 1.823 116.232 114.554 -0.242 0.000 2.708 167 T HA 0.052 4.402 4.350 -0.000 0.000 0.266 167 T C 1.962 176.553 174.700 -0.183 0.000 1.037 167 T CA 0.903 62.848 62.100 -0.258 0.000 1.146 167 T CB -0.328 68.383 68.868 -0.261 0.000 0.865 167 T HN 0.300 nan 8.240 nan 0.000 0.435 168 I N 0.528 121.018 120.570 -0.134 0.000 2.233 168 I HA -0.110 4.060 4.170 -0.000 0.000 0.243 168 I C 2.090 178.092 176.117 -0.192 0.000 1.093 168 I CA 0.694 61.902 61.300 -0.153 0.000 1.380 168 I CB -0.210 37.711 38.000 -0.133 0.000 1.067 168 I HN 0.176 nan 8.210 nan 0.000 0.413 169 I N 0.878 121.347 120.570 -0.168 0.000 2.179 169 I HA -0.294 3.876 4.170 -0.000 0.000 0.242 169 I C 2.091 178.124 176.117 -0.140 0.000 1.088 169 I CA 1.818 63.025 61.300 -0.155 0.000 1.357 169 I CB -1.466 36.470 38.000 -0.106 0.000 1.051 169 I HN 0.323 nan 8.210 nan 0.000 0.409 170 N N -0.473 118.143 118.700 -0.140 0.000 2.282 170 N HA 0.101 4.841 4.740 -0.000 0.000 0.185 170 N C 1.132 176.558 175.510 -0.139 0.000 1.099 170 N CA 0.299 53.272 53.050 -0.128 0.000 0.878 170 N CB 0.255 38.661 38.487 -0.134 0.000 0.993 170 N HN 0.170 nan 8.380 nan 0.000 0.481 171 M N 0.050 119.553 119.600 -0.162 0.000 2.576 171 M HA 0.218 4.698 4.480 -0.000 0.000 0.322 171 M C -0.337 175.866 176.300 -0.162 0.000 1.184 171 M CA -0.164 55.038 55.300 -0.164 0.000 0.967 171 M CB 0.624 33.107 32.600 -0.195 0.000 1.372 171 M HN -0.135 nan 8.290 nan 0.000 0.509 172 K N 0.942 121.251 120.400 -0.151 0.000 2.102 172 K HA 0.411 4.731 4.320 -0.000 0.000 0.244 172 K C -2.393 174.131 176.600 -0.127 0.000 1.021 172 K CA -1.646 54.553 56.287 -0.148 0.000 0.913 172 K CB -0.076 32.339 32.500 -0.141 0.000 1.062 172 K HN -0.140 nan 8.250 nan 0.000 0.485 173 P HA 0.007 nan 4.420 nan 0.000 0.266 173 P C -2.120 175.127 177.300 -0.088 0.000 1.195 173 P CA -0.932 62.110 63.100 -0.097 0.000 0.768 173 P CB 0.166 31.814 31.700 -0.088 0.000 0.838 174 P HA -0.157 nan 4.420 nan 0.000 0.219 174 P C 0.911 178.169 177.300 -0.070 0.000 1.146 174 P CA 1.404 64.460 63.100 -0.073 0.000 0.808 174 P CB -0.211 31.447 31.700 -0.069 0.000 0.779 175 A N -1.357 121.415 122.820 -0.080 0.000 2.169 175 A HA 0.082 4.402 4.320 -0.000 0.000 0.212 175 A C 1.299 178.856 177.584 -0.045 0.000 1.153 175 A CA 0.053 52.050 52.037 -0.067 0.000 0.756 175 A CB -0.820 18.125 19.000 -0.092 0.000 0.813 175 A HN 0.180 nan 8.150 nan 0.000 0.471 176 M N 2.087 121.655 119.600 -0.053 0.000 2.120 176 M HA 0.297 4.777 4.480 -0.000 0.000 0.354 176 M C 0.444 176.717 176.300 -0.044 0.000 1.287 176 M CA -0.276 55.001 55.300 -0.038 0.000 1.103 176 M CB 0.717 33.285 32.600 -0.052 0.000 1.623 176 M HN 0.398 nan 8.290 nan 0.000 0.471 177 S N 3.427 119.120 115.700 -0.011 0.000 2.634 177 S HA 0.115 4.585 4.470 -0.000 0.000 0.261 177 S C 0.683 175.222 174.600 -0.102 0.000 1.271 177 S CA -0.398 57.783 58.200 -0.030 0.000 0.985 177 S CB 1.231 64.470 63.200 0.065 0.000 0.968 177 S HN 0.833 nan 8.310 nan 0.000 0.568 178 Q N -0.295 119.343 119.800 -0.268 0.000 2.291 178 Q HA 0.007 4.347 4.340 -0.000 0.000 0.206 178 Q C 0.479 176.395 176.000 -0.140 0.000 0.976 178 Q CA 1.639 57.182 55.803 -0.434 0.000 0.875 178 Q CB -0.561 27.783 28.738 -0.656 0.000 0.927 178 Q HN 0.846 nan 8.270 nan 0.000 0.450 179 Y N -1.015 119.503 120.300 0.363 0.000 2.470 179 Y HA 0.211 4.761 4.550 -0.000 0.000 0.284 179 Y C 0.662 176.765 175.900 0.338 0.000 1.188 179 Y CA 0.118 58.550 58.100 0.554 0.000 1.269 179 Y CB 0.291 38.984 38.460 0.388 0.000 1.094 179 Y HN 0.077 nan 8.280 nan 0.000 0.518 180 Q N -0.214 119.743 119.800 0.262 0.000 2.135 180 Q HA 0.133 4.473 4.340 -0.000 0.000 0.231 180 Q C 0.295 176.380 176.000 0.141 0.000 0.817 180 Q CA -0.204 55.669 55.803 0.118 0.000 1.073 180 Q CB 0.771 29.541 28.738 0.052 0.000 1.176 180 Q HN 0.270 nan 8.270 nan 0.000 0.478 181 T N -2.499 112.202 114.554 0.246 0.000 2.928 181 T HA 0.614 4.964 4.350 -0.000 0.000 0.284 181 T C -2.531 172.429 174.700 0.433 0.000 1.008 181 T CA -2.294 59.912 62.100 0.177 0.000 1.057 181 T CB 1.565 70.367 68.868 -0.110 0.000 1.018 181 T HN -0.220 nan 8.240 nan 0.000 0.493 182 P HA 0.218 nan 4.420 nan 0.000 0.271 182 P C 1.004 178.709 177.300 0.675 0.000 1.233 182 P CA -0.563 62.860 63.100 0.539 0.000 0.789 182 P CB 0.447 32.487 31.700 0.567 0.000 0.951 183 L N -0.097 121.542 121.223 0.695 0.000 2.201 183 L HA -0.133 4.207 4.340 -0.000 0.000 0.212 183 L C 2.104 179.335 176.870 0.602 0.000 1.105 183 L CA 1.290 56.483 54.840 0.587 0.000 0.775 183 L CB -0.581 41.722 42.059 0.407 0.000 0.913 183 L HN 0.368 nan 8.230 nan 0.000 0.440 184 F N 0.248 120.554 119.950 0.593 0.000 2.206 184 F HA -0.121 4.406 4.527 -0.000 0.000 0.298 184 F C 2.170 178.057 175.800 0.146 0.000 1.090 184 F CA 1.096 59.223 58.000 0.211 0.000 1.323 184 F CB -0.180 38.692 39.000 -0.212 0.000 1.028 184 F HN -0.262 nan 8.300 nan 0.000 0.492 185 V N -0.893 119.089 119.914 0.114 0.000 2.343 185 V HA -0.318 3.802 4.120 -0.000 0.000 0.247 185 V C 2.050 178.087 176.094 -0.096 0.000 1.051 185 V CA 2.023 64.270 62.300 -0.088 0.000 1.036 185 V CB -1.079 30.741 31.823 -0.005 0.000 0.654 185 V HN 0.491 nan 8.190 nan 0.000 0.451 186 W N 0.728 122.023 121.300 -0.009 0.000 2.392 186 W HA -0.188 4.472 4.660 -0.000 0.000 0.279 186 W C 2.888 179.359 176.519 -0.081 0.000 1.225 186 W CA 1.361 58.687 57.345 -0.030 0.000 1.233 186 W CB -0.257 29.212 29.460 0.014 0.000 1.122 186 W HN 0.387 nan 8.180 nan 0.000 0.561 187 S N -1.054 114.718 115.700 0.120 0.000 2.436 187 S HA -0.114 4.356 4.470 -0.000 0.000 0.228 187 S C 1.657 176.163 174.600 -0.156 0.000 1.014 187 S CA 1.171 59.392 58.200 0.036 0.000 0.950 187 S CB -0.758 62.474 63.200 0.054 0.000 0.784 187 S HN 0.048 nan 8.310 nan 0.000 0.504 188 V N 1.959 121.645 119.914 -0.380 0.000 2.283 188 V HA -0.087 4.033 4.120 -0.000 0.000 0.243 188 V C 2.558 178.497 176.094 -0.259 0.000 1.039 188 V CA 2.025 64.022 62.300 -0.506 0.000 1.016 188 V CB -0.735 30.584 31.823 -0.839 0.000 0.650 188 V HN 0.564 nan 8.190 nan 0.000 0.449 189 M N 0.030 119.532 119.600 -0.162 0.000 2.308 189 M HA -0.305 4.175 4.480 -0.000 0.000 0.257 189 M C 2.039 178.361 176.300 0.036 0.000 1.070 189 M CA 2.539 57.811 55.300 -0.047 0.000 1.080 189 M CB -0.527 32.026 32.600 -0.079 0.000 1.274 189 M HN 0.274 nan 8.290 nan 0.000 0.434 190 I N -0.891 119.745 120.570 0.110 0.000 2.185 190 I HA -0.354 3.816 4.170 -0.000 0.000 0.246 190 I C 2.213 178.384 176.117 0.090 0.000 1.088 190 I CA 1.940 63.321 61.300 0.135 0.000 1.347 190 I CB -1.017 37.086 38.000 0.172 0.000 1.041 190 I HN 0.459 nan 8.210 nan 0.000 0.415 191 T N 0.387 114.955 114.554 0.022 0.000 2.821 191 T HA -0.046 4.304 4.350 -0.000 0.000 0.267 191 T C 1.993 176.710 174.700 0.028 0.000 1.046 191 T CA 1.368 63.466 62.100 -0.002 0.000 1.139 191 T CB -0.140 68.675 68.868 -0.088 0.000 0.871 191 T HN 0.498 nan 8.240 nan 0.000 0.454 192 A N 0.619 123.448 122.820 0.015 0.000 1.970 192 A HA 0.061 4.381 4.320 -0.000 0.000 0.216 192 A C 2.477 180.129 177.584 0.114 0.000 1.170 192 A CA 0.799 52.881 52.037 0.075 0.000 0.645 192 A CB -0.685 18.373 19.000 0.097 0.000 0.816 192 A HN 0.349 nan 8.150 nan 0.000 0.447 193 V N 0.348 120.333 119.914 0.118 0.000 2.427 193 V HA -0.207 3.913 4.120 -0.000 0.000 0.248 193 V C 2.473 178.692 176.094 0.209 0.000 1.051 193 V CA 1.602 63.989 62.300 0.146 0.000 1.048 193 V CB -0.632 31.280 31.823 0.148 0.000 0.666 193 V HN 0.558 nan 8.190 nan 0.000 0.456 194 L N -0.908 120.455 121.223 0.233 0.000 2.141 194 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 194 L C 2.355 179.382 176.870 0.262 0.000 1.094 194 L CA 1.398 56.425 54.840 0.312 0.000 0.763 194 L CB -0.473 41.666 42.059 0.134 0.000 0.908 194 L HN 0.334 nan 8.230 nan 0.000 0.437 195 L N -0.711 120.622 121.223 0.183 0.000 2.056 195 L HA -0.229 4.111 4.340 -0.000 0.000 0.207 195 L C 2.534 179.523 176.870 0.198 0.000 1.078 195 L CA 0.764 55.717 54.840 0.188 0.000 0.749 195 L CB -0.392 41.758 42.059 0.152 0.000 0.901 195 L HN 0.194 nan 8.230 nan 0.000 0.433 196 L N -0.335 120.992 121.223 0.172 0.000 2.013 196 L HA -0.241 4.099 4.340 -0.000 0.000 0.212 196 L C 2.189 179.149 176.870 0.149 0.000 1.073 196 L CA 1.920 56.844 54.840 0.140 0.000 0.753 196 L CB -0.249 41.880 42.059 0.117 0.000 0.890 196 L HN 0.137 nan 8.230 nan 0.000 0.432 197 L N -1.464 119.876 121.223 0.195 0.000 2.375 197 L HA 0.002 4.342 4.340 -0.000 0.000 0.215 197 L C 2.374 179.441 176.870 0.328 0.000 1.108 197 L CA 0.857 55.807 54.840 0.182 0.000 0.830 197 L CB -0.381 41.711 42.059 0.056 0.000 0.959 197 L HN 0.445 nan 8.230 nan 0.000 0.457 198 S N -0.591 115.358 115.700 0.415 0.000 2.427 198 S HA 0.014 4.484 4.470 -0.000 0.000 0.224 198 S C 1.887 176.707 174.600 0.367 0.000 1.047 198 S CA 0.037 58.511 58.200 0.456 0.000 0.953 198 S CB -0.438 62.981 63.200 0.365 0.000 0.824 198 S HN 0.231 nan 8.310 nan 0.000 0.502 199 L N 1.895 123.287 121.223 0.281 0.000 2.042 199 L HA -0.001 4.339 4.340 -0.000 0.000 0.210 199 L C -0.775 176.083 176.870 -0.021 0.000 1.076 199 L CA 1.288 56.161 54.840 0.055 0.000 0.749 199 L CB -1.453 40.643 42.059 0.062 0.000 0.893 199 L HN 0.280 nan 8.230 nan 0.000 0.432 200 P HA -0.113 nan 4.420 nan 0.000 0.218 200 P C 1.760 179.051 177.300 -0.014 0.000 1.149 200 P CA 1.028 64.134 63.100 0.010 0.000 0.817 200 P CB 0.077 31.793 31.700 0.027 0.000 0.785 201 V N -0.735 119.194 119.914 0.025 0.000 3.041 201 V HA -0.121 3.999 4.120 -0.000 0.000 0.260 201 V C 2.142 178.179 176.094 -0.095 0.000 1.105 201 V CA 1.103 63.392 62.300 -0.018 0.000 1.125 201 V CB -0.927 30.966 31.823 0.117 0.000 0.730 201 V HN 0.075 nan 8.190 nan 0.000 0.479 202 L N 0.611 121.713 121.223 -0.202 0.000 2.307 202 L HA 0.290 4.630 4.340 -0.000 0.000 0.211 202 L C 2.311 179.024 176.870 -0.261 0.000 1.099 202 L CA 1.842 56.453 54.840 -0.382 0.000 0.816 202 L CB -0.597 40.936 42.059 -0.876 0.000 0.952 202 L HN 0.128 nan 8.230 nan 0.000 0.455 203 A N 0.002 122.714 122.820 -0.181 0.000 1.898 203 A HA 0.010 4.330 4.320 -0.000 0.000 0.216 203 A C 2.462 180.047 177.584 0.001 0.000 1.181 203 A CA 1.467 53.489 52.037 -0.024 0.000 0.620 203 A CB -1.067 17.949 19.000 0.028 0.000 0.819 203 A HN 0.535 nan 8.150 nan 0.000 0.442 204 A N -0.288 122.501 122.820 -0.051 0.000 1.865 204 A HA 0.040 4.360 4.320 -0.000 0.000 0.217 204 A C 2.439 179.974 177.584 -0.082 0.000 1.191 204 A CA 2.148 54.140 52.037 -0.074 0.000 0.623 204 A CB -1.489 17.451 19.000 -0.100 0.000 0.826 204 A HN 0.761 nan 8.150 nan 0.000 0.444 205 G N 0.366 109.112 108.800 -0.089 0.000 2.408 205 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.217 205 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.217 205 G C 1.467 176.431 174.900 0.106 0.000 1.150 205 G CA 1.161 46.246 45.100 -0.026 0.000 0.776 205 G HN 0.805 nan 8.290 nan 0.000 0.542 206 I N -1.924 118.656 120.570 0.018 0.000 3.059 206 I HA 0.090 4.260 4.170 -0.000 0.000 0.270 206 I C 2.248 178.375 176.117 0.018 0.000 1.238 206 I CA 1.060 62.380 61.300 0.032 0.000 1.478 206 I CB -0.532 37.358 38.000 -0.182 0.000 1.097 206 I HN -0.118 nan 8.210 nan 0.000 0.455 207 T N 1.483 116.076 114.554 0.065 0.000 2.812 207 T HA 0.024 4.374 4.350 -0.000 0.000 0.264 207 T C 1.924 176.646 174.700 0.037 0.000 1.042 207 T CA 1.560 63.725 62.100 0.108 0.000 1.140 207 T CB -0.161 68.775 68.868 0.113 0.000 0.870 207 T HN 0.296 nan 8.240 nan 0.000 0.445 208 M N 0.335 119.901 119.600 -0.057 0.000 2.229 208 M HA 0.029 4.509 4.480 -0.000 0.000 0.264 208 M C 2.136 178.497 176.300 0.101 0.000 1.063 208 M CA 0.917 56.102 55.300 -0.193 0.000 1.114 208 M CB -0.289 31.889 32.600 -0.703 0.000 1.387 208 M HN 0.167 nan 8.290 nan 0.000 0.420 209 L N 0.443 121.863 121.223 0.328 0.000 2.056 209 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 209 L C 2.124 179.072 176.870 0.129 0.000 1.078 209 L CA 1.528 56.573 54.840 0.342 0.000 0.749 209 L CB -0.682 41.541 42.059 0.273 0.000 0.901 209 L HN 0.194 nan 8.230 nan 0.000 0.433 210 L N -0.536 120.716 121.223 0.049 0.000 1.990 210 L HA -0.262 4.078 4.340 -0.000 0.000 0.213 210 L C 2.658 179.560 176.870 0.053 0.000 1.072 210 L CA 2.706 57.540 54.840 -0.010 0.000 0.755 210 L CB -1.044 40.986 42.059 -0.048 0.000 0.889 210 L HN 0.645 nan 8.230 nan 0.000 0.432 211 T N -4.477 110.136 114.554 0.098 0.000 2.788 211 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 211 T C 1.673 176.433 174.700 0.101 0.000 1.044 211 T CA 1.344 63.515 62.100 0.119 0.000 1.139 211 T CB -0.693 68.282 68.868 0.179 0.000 0.867 211 T HN 0.313 nan 8.240 nan 0.000 0.454 212 D N 1.071 121.543 120.400 0.120 0.000 2.178 212 D HA 0.036 4.676 4.640 -0.000 0.000 0.201 212 D C 2.419 178.757 176.300 0.063 0.000 0.980 212 D CA 0.800 54.849 54.000 0.082 0.000 0.842 212 D CB -0.140 40.733 40.800 0.122 0.000 0.948 212 D HN 0.440 nan 8.370 nan 0.000 0.472 213 R N -0.577 119.960 120.500 0.062 0.000 2.223 213 R HA 0.201 4.541 4.340 -0.000 0.000 0.198 213 R C 1.025 177.349 176.300 0.040 0.000 0.984 213 R CA 0.486 56.612 56.100 0.045 0.000 1.018 213 R CB 0.383 30.698 30.300 0.024 0.000 0.945 213 R HN 0.102 nan 8.270 nan 0.000 0.479 214 N N -0.889 117.838 118.700 0.045 0.000 2.211 214 N HA 0.117 4.857 4.740 -0.000 0.000 0.216 214 N C 0.546 176.083 175.510 0.045 0.000 1.240 214 N CA 0.274 53.353 53.050 0.048 0.000 0.895 214 N CB 1.227 39.753 38.487 0.064 0.000 1.102 214 N HN 0.077 nan 8.380 nan 0.000 0.498 215 L N 0.777 122.026 121.223 0.042 0.000 3.122 215 L HA 0.307 4.647 4.340 -0.000 0.000 0.274 215 L C -0.229 176.644 176.870 0.005 0.000 1.222 215 L CA -0.018 54.840 54.840 0.030 0.000 1.028 215 L CB 0.080 42.164 42.059 0.042 0.000 1.386 215 L HN -0.066 nan 8.230 nan 0.000 0.578 216 N N 0.456 119.155 118.700 -0.001 0.000 2.818 216 N HA -0.126 4.614 4.740 -0.000 0.000 0.250 216 N C 0.462 175.932 175.510 -0.067 0.000 1.108 216 N CA 1.254 54.289 53.050 -0.024 0.000 0.745 216 N CB -1.372 37.104 38.487 -0.019 0.000 1.104 216 N HN 0.545 nan 8.380 nan 0.000 0.557 217 T N -2.533 111.976 114.554 -0.075 0.000 2.788 217 T HA 0.591 4.941 4.350 -0.000 0.000 0.280 217 T C 1.147 175.720 174.700 -0.213 0.000 0.984 217 T CA 0.401 62.374 62.100 -0.212 0.000 0.972 217 T CB 1.680 70.405 68.868 -0.238 0.000 1.039 217 T HN 0.250 nan 8.240 nan 0.000 0.530 218 T N -2.111 112.211 114.554 -0.386 0.000 3.794 218 T HA 0.290 4.640 4.350 -0.000 0.000 0.300 218 T C 0.609 175.142 174.700 -0.279 0.000 0.961 218 T CA -0.604 61.358 62.100 -0.228 0.000 1.025 218 T CB -1.013 67.763 68.868 -0.154 0.000 1.175 218 T HN 0.446 nan 8.240 nan 0.000 0.474 219 F N 0.827 120.578 119.950 -0.331 0.000 2.161 219 F HA 0.073 4.600 4.527 -0.000 0.000 0.300 219 F C 1.332 176.916 175.800 -0.361 0.000 1.089 219 F CA 1.312 59.019 58.000 -0.488 0.000 1.282 219 F CB -0.281 38.095 39.000 -1.039 0.000 1.010 219 F HN 0.334 nan 8.300 nan 0.000 0.485 220 F N -1.608 118.477 119.950 0.225 0.000 2.682 220 F HA 0.205 4.732 4.527 -0.000 0.000 0.308 220 F C 0.233 176.077 175.800 0.074 0.000 1.093 220 F CA -0.847 57.237 58.000 0.139 0.000 1.244 220 F CB -0.338 38.732 39.000 0.117 0.000 1.052 220 F HN -0.268 nan 8.300 nan 0.000 0.573 221 D N 2.021 122.503 120.400 0.137 0.000 2.373 221 D HA 0.247 4.887 4.640 -0.000 0.000 0.227 221 D C -1.947 174.386 176.300 0.055 0.000 1.091 221 D CA -2.555 51.496 54.000 0.085 0.000 0.840 221 D CB 2.050 42.874 40.800 0.040 0.000 1.060 221 D HN -0.116 nan 8.370 nan 0.000 0.502 222 P HA -0.108 nan 4.420 nan 0.000 0.219 222 P C 1.078 178.394 177.300 0.026 0.000 1.146 222 P CA 0.935 64.064 63.100 0.048 0.000 0.808 222 P CB 0.156 31.887 31.700 0.051 0.000 0.779 223 A N 0.063 122.895 122.820 0.020 0.000 1.986 223 A HA -0.090 4.230 4.320 -0.000 0.000 0.220 223 A C 2.276 179.856 177.584 -0.006 0.000 1.171 223 A CA 2.018 54.059 52.037 0.008 0.000 0.640 223 A CB -1.661 17.343 19.000 0.007 0.000 0.811 223 A HN 0.340 nan 8.150 nan 0.000 0.451 224 G N -2.839 105.950 108.800 -0.019 0.000 3.233 224 G HA2 0.416 4.376 3.960 -0.000 0.000 0.234 224 G HA3 0.416 4.376 3.960 -0.000 0.000 0.234 224 G C 0.966 175.839 174.900 -0.044 0.000 1.137 224 G CA 0.492 45.565 45.100 -0.045 0.000 0.763 224 G HN 1.625 nan 8.290 nan 0.000 0.549 225 G N -1.252 107.539 108.800 -0.015 0.000 2.159 225 G HA2 0.006 3.966 3.960 -0.000 0.000 0.227 225 G HA3 0.006 3.966 3.960 -0.000 0.000 0.227 225 G C 0.751 175.661 174.900 0.017 0.000 0.986 225 G CA 0.125 45.223 45.100 -0.002 0.000 0.651 225 G HN 0.941 nan 8.290 nan 0.000 0.523 226 G N -0.885 107.929 108.800 0.024 0.000 2.510 226 G HA2 0.542 4.502 3.960 -0.000 0.000 0.280 226 G HA3 0.542 4.502 3.960 -0.000 0.000 0.280 226 G C -0.819 174.160 174.900 0.132 0.000 1.386 226 G CA 0.528 45.673 45.100 0.075 0.000 1.047 226 G HN 0.544 nan 8.290 nan 0.000 0.527 227 D N -1.817 118.717 120.400 0.224 0.000 2.738 227 D HA 0.309 4.949 4.640 -0.000 0.000 0.218 227 D C -2.122 174.336 176.300 0.264 0.000 1.345 227 D CA -1.398 52.724 54.000 0.203 0.000 0.943 227 D CB 2.076 42.990 40.800 0.190 0.000 1.514 227 D HN -0.058 nan 8.370 nan 0.000 0.585 228 P HA -0.079 nan 4.420 nan 0.000 0.218 228 P C 1.591 178.858 177.300 -0.056 0.000 1.148 228 P CA 0.460 63.583 63.100 0.039 0.000 0.822 228 P CB 0.330 32.022 31.700 -0.013 0.000 0.784 229 I N -1.354 119.220 120.570 0.006 0.000 2.493 229 I HA -0.139 4.031 4.170 -0.000 0.000 0.254 229 I C 2.104 178.232 176.117 0.019 0.000 1.160 229 I CA 0.892 62.163 61.300 -0.049 0.000 1.445 229 I CB -1.619 36.389 38.000 0.013 0.000 1.086 229 I HN -0.008 nan 8.210 nan 0.000 0.433 230 L N 0.468 121.800 121.223 0.183 0.000 2.042 230 L HA -0.263 4.077 4.340 -0.000 0.000 0.210 230 L C 2.574 179.502 176.870 0.098 0.000 1.076 230 L CA 1.820 56.825 54.840 0.276 0.000 0.749 230 L CB -1.224 41.089 42.059 0.422 0.000 0.893 230 L HN 0.263 nan 8.230 nan 0.000 0.432 231 Y N 0.252 120.315 120.300 -0.394 0.000 2.151 231 Y HA -0.355 4.195 4.550 -0.000 0.000 0.284 231 Y C 2.559 178.255 175.900 -0.339 0.000 1.166 231 Y CA 2.360 60.010 58.100 -0.750 0.000 1.163 231 Y CB -0.202 37.488 38.460 -1.284 0.000 0.974 231 Y HN 0.417 nan 8.280 nan 0.000 0.511 232 Q N -1.132 118.543 119.800 -0.208 0.000 2.030 232 Q HA -0.256 4.084 4.340 -0.000 0.000 0.204 232 Q C 2.109 178.144 176.000 0.058 0.000 0.986 232 Q CA 1.635 57.357 55.803 -0.136 0.000 0.843 232 Q CB -0.484 28.109 28.738 -0.242 0.000 0.904 232 Q HN 0.621 nan 8.270 nan 0.000 0.420 233 H N 0.584 119.739 119.070 0.141 0.000 2.319 233 H HA -0.132 4.424 4.556 -0.000 0.000 0.297 233 H C 2.183 177.505 175.328 -0.010 0.000 1.097 233 H CA 1.339 57.512 56.048 0.207 0.000 1.285 233 H CB -0.247 29.643 29.762 0.214 0.000 1.368 233 H HN 0.220 nan 8.280 nan 0.000 0.495 234 L N -0.658 120.558 121.223 -0.012 0.000 2.240 234 L HA -0.099 4.241 4.340 -0.000 0.000 0.211 234 L C 2.473 179.234 176.870 -0.182 0.000 1.106 234 L CA 0.423 55.191 54.840 -0.120 0.000 0.793 234 L CB -0.391 41.552 42.059 -0.194 0.000 0.927 234 L HN 0.082 nan 8.230 nan 0.000 0.446 235 F N -0.131 119.518 119.950 -0.501 0.000 2.113 235 F HA -0.204 4.323 4.527 -0.000 0.000 0.297 235 F C 1.887 177.443 175.800 -0.408 0.000 1.103 235 F CA 1.547 59.188 58.000 -0.599 0.000 1.248 235 F CB -0.219 38.229 39.000 -0.920 0.000 0.999 235 F HN -0.037 nan 8.300 nan 0.000 0.475 236 W N -1.246 120.104 121.300 0.083 0.000 2.658 236 W HA -0.009 4.651 4.660 -0.000 0.000 0.263 236 W C 2.143 178.605 176.519 -0.095 0.000 1.274 236 W CA 0.247 57.579 57.345 -0.022 0.000 1.343 236 W CB -0.614 28.959 29.460 0.188 0.000 1.106 236 W HN 0.069 nan 8.180 nan 0.000 0.615 237 F N 0.443 120.308 119.950 -0.143 0.000 2.115 237 F HA -0.337 4.190 4.527 -0.000 0.000 0.300 237 F C 2.194 177.934 175.800 -0.100 0.000 1.092 237 F CA 2.029 59.808 58.000 -0.368 0.000 1.245 237 F CB -0.684 37.953 39.000 -0.606 0.000 0.995 237 F HN -0.001 nan 8.300 nan 0.000 0.481 238 F N 0.290 120.123 119.950 -0.195 0.000 2.335 238 F HA 0.208 4.735 4.527 -0.000 0.000 0.296 238 F C 2.168 177.785 175.800 -0.306 0.000 1.091 238 F CA 1.216 59.059 58.000 -0.263 0.000 1.399 238 F CB -1.037 37.783 39.000 -0.301 0.000 1.067 238 F HN -0.093 nan 8.300 nan 0.000 0.520 239 G N -0.874 107.447 108.800 -0.798 0.000 2.422 239 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.218 239 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.218 239 G C 1.404 176.133 174.900 -0.285 0.000 1.140 239 G CA 1.069 45.686 45.100 -0.804 0.000 0.775 239 G HN 0.547 nan 8.290 nan 0.000 0.545 240 H N 1.437 120.462 119.070 -0.076 0.000 2.333 240 H HA 0.038 4.594 4.556 -0.000 0.000 0.302 240 H C 0.103 175.388 175.328 -0.073 0.000 1.075 240 H CA 1.262 57.329 56.048 0.033 0.000 1.348 240 H CB -0.400 29.459 29.762 0.161 0.000 1.393 240 H HN 0.234 nan 8.280 nan 0.000 0.509 241 P HA -0.179 nan 4.420 nan 0.000 0.216 241 P C 1.213 178.290 177.300 -0.371 0.000 1.150 241 P CA 1.942 64.832 63.100 -0.349 0.000 0.843 241 P CB 0.019 31.284 31.700 -0.724 0.000 0.787 242 E N 0.031 119.855 120.200 -0.627 0.000 2.160 242 E HA -0.163 4.187 4.350 -0.000 0.000 0.195 242 E C 1.671 177.981 176.600 -0.484 0.000 0.991 242 E CA 1.414 57.438 56.400 -0.627 0.000 0.810 242 E CB -1.177 27.925 29.700 -0.995 0.000 0.742 242 E HN 0.156 nan 8.360 nan 0.000 0.466 243 V N -1.343 118.229 119.914 -0.570 0.000 2.548 243 V HA -0.165 3.955 4.120 -0.000 0.000 0.249 243 V C 1.886 177.557 176.094 -0.705 0.000 1.055 243 V CA 1.580 63.499 62.300 -0.634 0.000 1.065 243 V CB -1.127 30.304 31.823 -0.654 0.000 0.681 243 V HN 0.216 nan 8.190 nan 0.000 0.462 244 Y N 0.629 120.735 120.300 -0.324 0.000 2.314 244 Y HA 0.129 4.679 4.550 -0.000 0.000 0.293 244 Y C 2.393 178.169 175.900 -0.207 0.000 1.129 244 Y CA 1.617 59.595 58.100 -0.204 0.000 1.201 244 Y CB -0.557 37.840 38.460 -0.104 0.000 0.999 244 Y HN 0.178 nan 8.280 nan 0.000 0.541 245 I N -0.302 120.198 120.570 -0.117 0.000 2.361 245 I HA -0.306 3.864 4.170 -0.000 0.000 0.251 245 I C 1.907 177.920 176.117 -0.174 0.000 1.133 245 I CA 1.304 62.529 61.300 -0.125 0.000 1.413 245 I CB -0.376 37.551 38.000 -0.121 0.000 1.073 245 I HN 0.239 nan 8.210 nan 0.000 0.424 246 L N -0.448 120.627 121.223 -0.247 0.000 2.217 246 L HA -0.155 4.185 4.340 -0.000 0.000 0.211 246 L C 2.327 179.070 176.870 -0.213 0.000 1.107 246 L CA 0.875 55.574 54.840 -0.235 0.000 0.783 246 L CB -0.167 41.711 42.059 -0.300 0.000 0.919 246 L HN 0.254 nan 8.230 nan 0.000 0.442 247 I N -0.986 119.414 120.570 -0.284 0.000 2.927 247 I HA -0.077 4.093 4.170 -0.000 0.000 0.268 247 I C 2.094 177.902 176.117 -0.516 0.000 1.153 247 I CA 0.831 61.900 61.300 -0.385 0.000 1.459 247 I CB 0.118 37.790 38.000 -0.547 0.000 1.149 247 I HN 0.001 nan 8.210 nan 0.000 0.443 248 L N 1.282 122.275 121.223 -0.384 0.000 1.991 248 L HA -0.229 4.111 4.340 -0.000 0.000 0.221 248 L C -0.395 176.465 176.870 -0.017 0.000 1.079 248 L CA 2.068 56.803 54.840 -0.176 0.000 0.778 248 L CB -2.035 40.019 42.059 -0.009 0.000 0.893 248 L HN 0.195 nan 8.230 nan 0.000 0.437 249 P HA -0.142 nan 4.420 nan 0.000 0.219 249 P C 1.434 178.841 177.300 0.177 0.000 1.146 249 P CA 1.713 64.858 63.100 0.075 0.000 0.808 249 P CB -0.196 31.532 31.700 0.046 0.000 0.779 250 G N -1.554 107.261 108.800 0.025 0.000 2.394 250 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.214 250 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.214 250 G C 1.464 176.343 174.900 -0.035 0.000 1.176 250 G CA 0.154 45.227 45.100 -0.045 0.000 0.786 250 G HN 0.228 nan 8.290 nan 0.000 0.533 251 F N 1.337 121.272 119.950 -0.024 0.000 2.134 251 F HA -0.057 4.470 4.527 -0.000 0.000 0.299 251 F C 3.017 178.945 175.800 0.213 0.000 1.097 251 F CA 0.336 58.390 58.000 0.090 0.000 1.264 251 F CB -0.105 39.052 39.000 0.261 0.000 1.001 251 F HN 0.267 nan 8.300 nan 0.000 0.479 252 G N 0.328 109.410 108.800 0.470 0.000 2.459 252 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.217 252 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.217 252 G C 1.588 176.788 174.900 0.501 0.000 1.183 252 G CA 0.857 46.277 45.100 0.533 0.000 0.776 252 G HN 0.202 nan 8.290 nan 0.000 0.552 253 M N 0.050 119.830 119.600 0.301 0.000 2.080 253 M HA -0.058 4.422 4.480 -0.000 0.000 0.260 253 M C 2.565 178.890 176.300 0.041 0.000 1.068 253 M CA 1.164 56.517 55.300 0.089 0.000 1.109 253 M CB -0.389 32.159 32.600 -0.086 0.000 1.342 253 M HN 0.134 nan 8.290 nan 0.000 0.405 254 I N -0.121 120.363 120.570 -0.144 0.000 2.163 254 I HA -0.260 3.910 4.170 -0.000 0.000 0.243 254 I C 2.466 178.453 176.117 -0.216 0.000 1.085 254 I CA 1.574 62.614 61.300 -0.433 0.000 1.347 254 I CB -1.326 36.006 38.000 -1.113 0.000 1.044 254 I HN 0.268 nan 8.210 nan 0.000 0.408 255 S N -0.396 115.395 115.700 0.152 0.000 2.374 255 S HA -0.227 4.243 4.470 -0.000 0.000 0.227 255 S C 1.879 176.657 174.600 0.296 0.000 1.037 255 S CA 1.248 59.699 58.200 0.418 0.000 1.024 255 S CB -0.530 63.006 63.200 0.561 0.000 0.861 255 S HN 0.507 nan 8.310 nan 0.000 0.456 256 H N 0.121 119.309 119.070 0.197 0.000 2.395 256 H HA 0.093 4.649 4.556 -0.000 0.000 0.299 256 H C 2.170 177.481 175.328 -0.028 0.000 1.070 256 H CA 1.199 57.351 56.048 0.173 0.000 1.356 256 H CB -0.130 29.819 29.762 0.312 0.000 1.401 256 H HN 0.336 nan 8.280 nan 0.000 0.524 257 I N 0.273 120.813 120.570 -0.051 0.000 2.179 257 I HA -0.249 3.921 4.170 -0.000 0.000 0.242 257 I C 2.515 178.635 176.117 0.004 0.000 1.088 257 I CA 0.837 62.019 61.300 -0.197 0.000 1.357 257 I CB -0.168 37.708 38.000 -0.207 0.000 1.051 257 I HN 0.010 nan 8.210 nan 0.000 0.409 258 V N 0.380 120.282 119.914 -0.021 0.000 2.295 258 V HA -0.286 3.834 4.120 -0.000 0.000 0.246 258 V C 2.505 178.630 176.094 0.052 0.000 1.049 258 V CA 2.482 64.791 62.300 0.014 0.000 1.024 258 V CB -0.883 30.927 31.823 -0.021 0.000 0.648 258 V HN 0.476 nan 8.190 nan 0.000 0.447 259 T N -1.027 113.573 114.554 0.076 0.000 2.684 259 T HA -0.278 4.072 4.350 -0.000 0.000 0.267 259 T C 1.728 176.413 174.700 -0.024 0.000 1.036 259 T CA 2.326 64.461 62.100 0.058 0.000 1.148 259 T CB -0.419 68.494 68.868 0.075 0.000 0.863 259 T HN 0.561 nan 8.240 nan 0.000 0.436 260 Y N 0.460 120.642 120.300 -0.197 0.000 2.114 260 Y HA -0.202 4.348 4.550 -0.000 0.000 0.284 260 Y C 1.805 177.407 175.900 -0.497 0.000 1.143 260 Y CA 1.426 59.286 58.100 -0.400 0.000 1.135 260 Y CB -0.240 37.855 38.460 -0.608 0.000 0.980 260 Y HN 0.255 nan 8.280 nan 0.000 0.499 261 Y N -1.247 119.051 120.300 -0.003 0.000 2.490 261 Y HA 0.072 4.622 4.550 -0.000 0.000 0.281 261 Y C 2.091 177.891 175.900 -0.166 0.000 1.174 261 Y CA 0.614 58.664 58.100 -0.084 0.000 1.295 261 Y CB 0.000 38.395 38.460 -0.109 0.000 1.062 261 Y HN -0.001 nan 8.280 nan 0.000 0.522 262 S N -0.786 114.880 115.700 -0.056 0.000 2.593 262 S HA 0.180 4.650 4.470 -0.000 0.000 0.217 262 S C 1.782 176.315 174.600 -0.111 0.000 0.966 262 S CA 0.634 58.787 58.200 -0.078 0.000 0.914 262 S CB -0.250 62.931 63.200 -0.031 0.000 0.776 262 S HN 0.669 nan 8.310 nan 0.000 0.523 263 G N 1.411 110.098 108.800 -0.189 0.000 2.160 263 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.251 263 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.251 263 G C -0.116 174.686 174.900 -0.162 0.000 1.008 263 G CA 0.103 45.075 45.100 -0.212 0.000 0.724 263 G HN 0.368 nan 8.290 nan 0.000 0.514 264 K N 0.007 120.328 120.400 -0.131 0.000 2.110 264 K HA 0.546 4.866 4.320 -0.000 0.000 0.263 264 K C 1.431 177.994 176.600 -0.062 0.000 0.975 264 K CA -0.322 55.929 56.287 -0.060 0.000 0.895 264 K CB 1.078 33.580 32.500 0.002 0.000 1.060 264 K HN 0.275 nan 8.250 nan 0.000 0.448 265 K N 1.631 122.013 120.400 -0.030 0.000 2.418 265 K HA 0.003 4.323 4.320 -0.000 0.000 0.195 265 K C -0.391 176.219 176.600 0.017 0.000 1.035 265 K CA 0.690 56.968 56.287 -0.014 0.000 1.003 265 K CB 0.152 32.645 32.500 -0.011 0.000 0.793 265 K HN 0.658 nan 8.250 nan 0.000 0.494 266 E N 0.558 120.779 120.200 0.035 0.000 2.401 266 E HA 0.298 4.648 4.350 -0.000 0.000 0.280 266 E C -3.097 173.570 176.600 0.113 0.000 1.039 266 E CA -2.279 54.161 56.400 0.066 0.000 0.814 266 E CB 1.421 31.147 29.700 0.043 0.000 1.275 266 E HN -0.156 nan 8.360 nan 0.000 0.448 267 P HA 0.092 nan 4.420 nan 0.000 0.275 267 P C -0.485 176.960 177.300 0.241 0.000 1.227 267 P CA -0.310 62.927 63.100 0.230 0.000 0.781 267 P CB 0.388 32.241 31.700 0.255 0.000 0.906 268 F N 2.779 122.803 119.950 0.123 0.000 2.607 268 F HA 0.274 4.801 4.527 -0.000 0.000 0.374 268 F C 1.388 177.240 175.800 0.086 0.000 1.104 268 F CA 1.583 59.642 58.000 0.099 0.000 1.296 268 F CB -0.174 38.883 39.000 0.095 0.000 1.085 268 F HN 0.732 nan 8.300 nan 0.000 0.584 269 G N 5.965 114.455 108.800 -0.517 0.000 2.367 269 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.295 269 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.295 269 G C 0.171 175.062 174.900 -0.016 0.000 1.019 269 G CA 0.511 45.432 45.100 -0.298 0.000 1.224 269 G HN 1.082 nan 8.290 nan 0.000 0.510 270 Y N 0.847 121.091 120.300 -0.094 0.000 2.145 270 Y HA -0.153 4.397 4.550 -0.000 0.000 0.286 270 Y C 2.634 178.507 175.900 -0.045 0.000 1.145 270 Y CA 2.421 60.510 58.100 -0.018 0.000 1.148 270 Y CB -0.094 38.376 38.460 0.016 0.000 0.981 270 Y HN 0.396 nan 8.280 nan 0.000 0.507 271 M N 0.290 119.939 119.600 0.082 0.000 2.117 271 M HA -0.114 4.366 4.480 -0.000 0.000 0.262 271 M C 2.515 178.755 176.300 -0.100 0.000 1.065 271 M CA 1.457 56.721 55.300 -0.060 0.000 1.114 271 M CB -2.091 30.500 32.600 -0.014 0.000 1.361 271 M HN 0.511 nan 8.290 nan 0.000 0.408 272 G N 0.676 109.444 108.800 -0.053 0.000 2.547 272 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.221 272 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.221 272 G C 1.521 176.454 174.900 0.056 0.000 1.140 272 G CA 1.141 46.260 45.100 0.032 0.000 0.760 272 G HN 0.322 nan 8.290 nan 0.000 0.583 273 M N 0.019 119.554 119.600 -0.109 0.000 2.200 273 M HA 0.052 4.532 4.480 -0.000 0.000 0.265 273 M C 2.799 178.938 176.300 -0.269 0.000 1.066 273 M CA 0.589 55.781 55.300 -0.181 0.000 1.127 273 M CB -0.907 31.585 32.600 -0.179 0.000 1.379 273 M HN 0.139 nan 8.290 nan 0.000 0.420 274 V N -0.752 118.899 119.914 -0.438 0.000 2.261 274 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 274 V C 2.096 177.960 176.094 -0.383 0.000 1.047 274 V CA 2.031 63.938 62.300 -0.654 0.000 1.015 274 V CB -0.905 30.284 31.823 -1.056 0.000 0.642 274 V HN 0.637 nan 8.190 nan 0.000 0.446 275 W N 1.152 122.244 121.300 -0.348 0.000 2.338 275 W HA -0.218 4.442 4.660 -0.000 0.000 0.304 275 W C 2.395 178.823 176.519 -0.151 0.000 1.212 275 W CA 2.183 59.399 57.345 -0.216 0.000 1.264 275 W CB -0.383 28.976 29.460 -0.169 0.000 1.142 275 W HN 0.196 nan 8.180 nan 0.000 0.512 276 A N 0.369 123.031 122.820 -0.263 0.000 1.902 276 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 276 A C 2.052 179.429 177.584 -0.344 0.000 1.181 276 A CA 2.118 53.884 52.037 -0.451 0.000 0.623 276 A CB -0.831 18.062 19.000 -0.178 0.000 0.818 276 A HN 0.423 nan 8.150 nan 0.000 0.443 277 M N -1.296 118.176 119.600 -0.212 0.000 2.099 277 M HA -0.108 4.372 4.480 -0.000 0.000 0.262 277 M C 2.465 178.715 176.300 -0.084 0.000 1.067 277 M CA 1.484 56.748 55.300 -0.060 0.000 1.124 277 M CB -0.486 32.131 32.600 0.029 0.000 1.353 277 M HN 0.390 nan 8.290 nan 0.000 0.410 278 M N -0.305 119.197 119.600 -0.163 0.000 2.080 278 M HA -0.193 4.287 4.480 -0.000 0.000 0.260 278 M C 2.321 178.533 176.300 -0.146 0.000 1.068 278 M CA 1.638 56.874 55.300 -0.107 0.000 1.109 278 M CB -0.675 31.844 32.600 -0.134 0.000 1.342 278 M HN 0.234 nan 8.290 nan 0.000 0.405 279 S N 0.602 116.052 115.700 -0.417 0.000 2.383 279 S HA -0.091 4.379 4.470 -0.000 0.000 0.229 279 S C 1.771 176.274 174.600 -0.161 0.000 1.030 279 S CA 1.105 59.066 58.200 -0.399 0.000 1.002 279 S CB -0.290 62.318 63.200 -0.987 0.000 0.829 279 S HN 0.379 nan 8.310 nan 0.000 0.467 280 I N 0.721 121.187 120.570 -0.172 0.000 2.584 280 I HA -0.019 4.151 4.170 -0.000 0.000 0.255 280 I C 2.451 178.468 176.117 -0.167 0.000 1.145 280 I CA 0.723 61.935 61.300 -0.146 0.000 1.462 280 I CB -0.342 37.655 38.000 -0.004 0.000 1.102 280 I HN 0.352 nan 8.210 nan 0.000 0.433 281 G N 0.270 109.052 108.800 -0.030 0.000 2.421 281 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.217 281 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.217 281 G C 1.500 176.496 174.900 0.160 0.000 1.143 281 G CA 0.203 45.334 45.100 0.051 0.000 0.784 281 G HN 0.325 nan 8.290 nan 0.000 0.541 282 F N 1.187 121.153 119.950 0.026 0.000 2.094 282 F HA 0.179 4.706 4.527 -0.000 0.000 0.291 282 F C 2.354 178.212 175.800 0.096 0.000 1.109 282 F CA 0.877 58.941 58.000 0.105 0.000 1.221 282 F CB -0.273 38.745 39.000 0.030 0.000 1.014 282 F HN -0.018 nan 8.300 nan 0.000 0.473 283 L N 0.367 121.618 121.223 0.046 0.000 2.351 283 L HA -0.163 4.177 4.340 -0.000 0.000 0.220 283 L C 2.337 179.074 176.870 -0.221 0.000 1.127 283 L CA 1.082 55.860 54.840 -0.102 0.000 0.786 283 L CB -1.278 40.756 42.059 -0.042 0.000 0.914 283 L HN 0.429 nan 8.230 nan 0.000 0.443 284 G N -1.741 106.878 108.800 -0.303 0.000 2.985 284 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.209 284 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.209 284 G C 0.990 175.704 174.900 -0.310 0.000 1.165 284 G CA -0.201 44.661 45.100 -0.397 0.000 0.776 284 G HN 0.242 nan 8.290 nan 0.000 0.541 285 F N 0.419 120.263 119.950 -0.176 0.000 2.749 285 F HA 0.308 4.835 4.527 -0.000 0.000 0.300 285 F C 1.689 177.493 175.800 0.006 0.000 1.103 285 F CA -0.120 57.749 58.000 -0.218 0.000 1.342 285 F CB 0.465 39.313 39.000 -0.253 0.000 1.098 285 F HN 0.208 nan 8.300 nan 0.000 0.586 286 I N -2.009 118.673 120.570 0.187 0.000 3.491 286 I HA 0.267 4.437 4.170 -0.000 0.000 0.332 286 I C 0.278 176.560 176.117 0.274 0.000 1.565 286 I CA -0.072 61.450 61.300 0.371 0.000 1.050 286 I CB 0.211 38.307 38.000 0.160 0.000 1.348 286 I HN -0.114 nan 8.210 nan 0.000 0.506 287 V N -3.254 116.780 119.914 0.200 0.000 3.330 287 V HA 0.229 4.349 4.120 -0.000 0.000 0.309 287 V C 1.433 177.333 176.094 -0.324 0.000 1.481 287 V CA -0.209 62.115 62.300 0.039 0.000 1.068 287 V CB -0.834 30.870 31.823 -0.198 0.000 0.935 287 V HN 0.705 nan 8.190 nan 0.000 0.453 288 W N 1.388 122.604 121.300 -0.140 0.000 2.611 288 W HA 0.397 5.056 4.660 -0.000 0.000 0.251 288 W C 1.659 177.872 176.519 -0.510 0.000 1.265 288 W CA 0.798 57.949 57.345 -0.323 0.000 1.295 288 W CB -0.415 29.065 29.460 0.032 0.000 1.129 288 W HN 0.210 nan 8.180 nan 0.000 0.630 289 A N 1.866 123.624 122.820 -1.770 0.000 2.239 289 A HA -0.154 4.166 4.320 -0.000 0.000 0.209 289 A C 1.849 178.640 177.584 -1.321 0.000 1.171 289 A CA 1.099 52.197 52.037 -1.564 0.000 0.768 289 A CB -1.740 15.952 19.000 -2.181 0.000 0.790 289 A HN 0.790 nan 8.150 nan 0.000 0.478 290 H N -2.424 115.889 119.070 -1.261 0.000 2.518 290 H HA -0.114 4.442 4.556 -0.000 0.000 0.292 290 H C 0.991 175.469 175.328 -1.417 0.000 1.068 290 H CA 1.179 56.185 56.048 -1.736 0.000 1.275 290 H CB -0.406 28.763 29.762 -0.990 0.000 1.375 290 H HN 0.671 nan 8.280 nan 0.000 0.563 291 H N 0.422 119.054 119.070 -0.730 0.000 2.547 291 H HA 0.149 4.705 4.556 -0.000 0.000 0.266 291 H C 0.694 175.682 175.328 -0.567 0.000 0.988 291 H CA 0.526 56.122 56.048 -0.753 0.000 1.147 291 H CB 0.390 29.225 29.762 -1.544 0.000 1.365 291 H HN 0.510 nan 8.280 nan 0.000 0.589 292 M N -0.390 118.907 119.600 -0.505 0.000 2.705 292 M HA 0.121 4.601 4.480 -0.000 0.000 0.387 292 M C 0.062 176.226 176.300 -0.226 0.000 1.204 292 M CA -0.220 54.881 55.300 -0.331 0.000 0.905 292 M CB 0.491 32.940 32.600 -0.252 0.000 1.394 292 M HN -0.091 nan 8.290 nan 0.000 0.515 293 F N 0.829 120.605 119.950 -0.290 0.000 2.771 293 F HA -0.006 4.521 4.527 -0.000 0.000 0.299 293 F C 2.234 177.923 175.800 -0.185 0.000 1.177 293 F CA 0.917 58.793 58.000 -0.208 0.000 1.450 293 F CB -0.660 38.235 39.000 -0.176 0.000 1.114 293 F HN 0.247 nan 8.300 nan 0.000 0.587 294 T N -3.818 110.685 114.554 -0.084 0.000 3.174 294 T HA 0.197 4.547 4.350 -0.000 0.000 0.269 294 T C 1.300 175.993 174.700 -0.012 0.000 1.017 294 T CA 0.565 62.641 62.100 -0.041 0.000 0.899 294 T CB -0.598 68.244 68.868 -0.042 0.000 1.077 294 T HN 0.079 nan 8.240 nan 0.000 0.552 295 V N -2.007 117.896 119.914 -0.018 0.000 3.649 295 V HA 0.637 4.757 4.120 -0.000 0.000 0.275 295 V C 1.263 177.374 176.094 0.027 0.000 1.281 295 V CA 0.297 62.598 62.300 0.001 0.000 1.143 295 V CB -0.947 30.857 31.823 -0.031 0.000 0.892 295 V HN 0.812 nan 8.190 nan 0.000 0.441 296 G N 0.488 109.311 108.800 0.037 0.000 2.797 296 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.192 296 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.192 296 G C -0.531 174.407 174.900 0.063 0.000 1.101 296 G CA 0.057 45.185 45.100 0.048 0.000 0.930 296 G HN 0.435 nan 8.290 nan 0.000 0.512 297 M N 0.755 120.399 119.600 0.074 0.000 2.363 297 M HA 0.337 4.817 4.480 -0.000 0.000 0.343 297 M C -0.025 176.330 176.300 0.092 0.000 1.165 297 M CA -0.848 54.512 55.300 0.101 0.000 1.046 297 M CB 0.847 33.527 32.600 0.133 0.000 1.648 297 M HN 0.205 nan 8.290 nan 0.000 0.452 298 D N 1.472 121.930 120.400 0.097 0.000 2.474 298 D HA -0.084 4.556 4.640 -0.000 0.000 0.232 298 D C 0.930 177.275 176.300 0.075 0.000 1.177 298 D CA 0.122 54.168 54.000 0.078 0.000 0.876 298 D CB 0.871 41.719 40.800 0.080 0.000 1.208 298 D HN 0.386 nan 8.370 nan 0.000 0.464 299 V N 1.736 121.678 119.914 0.048 0.000 2.343 299 V HA -0.230 3.890 4.120 -0.000 0.000 0.247 299 V C 1.278 177.401 176.094 0.047 0.000 1.051 299 V CA 1.880 64.197 62.300 0.029 0.000 1.036 299 V CB -0.087 31.741 31.823 0.008 0.000 0.654 299 V HN 0.411 nan 8.190 nan 0.000 0.451 300 D N -0.677 119.758 120.400 0.059 0.000 2.183 300 D HA -0.094 4.546 4.640 -0.000 0.000 0.203 300 D C 2.233 178.606 176.300 0.122 0.000 0.969 300 D CA 1.641 55.681 54.000 0.067 0.000 0.842 300 D CB -0.362 40.468 40.800 0.050 0.000 0.957 300 D HN 0.438 nan 8.370 nan 0.000 0.484 301 T N 0.837 115.484 114.554 0.154 0.000 2.720 301 T HA -0.137 4.213 4.350 -0.000 0.000 0.268 301 T C 1.984 176.923 174.700 0.398 0.000 1.037 301 T CA 0.946 63.214 62.100 0.280 0.000 1.144 301 T CB 0.029 69.062 68.868 0.275 0.000 0.864 301 T HN 0.152 nan 8.240 nan 0.000 0.444 302 R N 0.622 121.274 120.500 0.254 0.000 2.096 302 R HA 0.032 4.372 4.340 -0.000 0.000 0.235 302 R C 2.761 179.110 176.300 0.082 0.000 1.127 302 R CA 1.251 57.459 56.100 0.180 0.000 0.968 302 R CB -0.376 29.902 30.300 -0.037 0.000 0.861 302 R HN 0.357 nan 8.270 nan 0.000 0.440 303 A N 0.275 123.130 122.820 0.059 0.000 1.930 303 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 303 A C 1.956 179.555 177.584 0.025 0.000 1.175 303 A CA 1.050 53.092 52.037 0.009 0.000 0.627 303 A CB -0.588 18.422 19.000 0.016 0.000 0.815 303 A HN 0.476 nan 8.150 nan 0.000 0.443 304 Y N -0.767 119.523 120.300 -0.017 0.000 2.184 304 Y HA -0.126 4.424 4.550 -0.000 0.000 0.290 304 Y C 1.811 177.635 175.900 -0.126 0.000 1.129 304 Y CA 1.664 59.693 58.100 -0.119 0.000 1.144 304 Y CB -0.508 37.805 38.460 -0.244 0.000 0.995 304 Y HN 0.217 nan 8.280 nan 0.000 0.513 305 F N 0.312 120.137 119.950 -0.210 0.000 2.333 305 F HA -0.157 4.370 4.527 -0.000 0.000 0.300 305 F C 2.423 178.188 175.800 -0.058 0.000 1.083 305 F CA 1.793 59.638 58.000 -0.259 0.000 1.395 305 F CB -0.832 38.167 39.000 -0.001 0.000 1.056 305 F HN 0.040 nan 8.300 nan 0.000 0.529 306 T N -1.067 113.584 114.554 0.163 0.000 2.732 306 T HA -0.142 4.208 4.350 -0.000 0.000 0.261 306 T C 2.264 176.936 174.700 -0.047 0.000 1.040 306 T CA 1.715 63.868 62.100 0.089 0.000 1.145 306 T CB -0.339 68.489 68.868 -0.065 0.000 0.866 306 T HN 0.179 nan 8.240 nan 0.000 0.427 307 S N 1.825 117.442 115.700 -0.138 0.000 2.348 307 S HA -0.066 4.404 4.470 -0.000 0.000 0.221 307 S C 2.575 177.057 174.600 -0.197 0.000 1.033 307 S CA 1.066 59.178 58.200 -0.147 0.000 1.010 307 S CB -0.684 62.442 63.200 -0.123 0.000 0.891 307 S HN 0.572 nan 8.310 nan 0.000 0.442 308 A N 1.508 124.078 122.820 -0.418 0.000 1.902 308 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 308 A C 2.342 179.825 177.584 -0.169 0.000 1.181 308 A CA 2.048 53.868 52.037 -0.363 0.000 0.623 308 A CB -1.439 17.102 19.000 -0.766 0.000 0.818 308 A HN 0.473 nan 8.150 nan 0.000 0.443 309 T N 0.078 114.568 114.554 -0.106 0.000 2.720 309 T HA -0.176 4.174 4.350 -0.000 0.000 0.268 309 T C 1.920 176.615 174.700 -0.008 0.000 1.037 309 T CA 1.807 63.908 62.100 0.003 0.000 1.144 309 T CB -0.313 68.609 68.868 0.090 0.000 0.864 309 T HN 0.446 nan 8.240 nan 0.000 0.444 310 M N 0.143 119.730 119.600 -0.022 0.000 2.175 310 M HA 0.026 4.506 4.480 -0.000 0.000 0.264 310 M C 2.202 178.509 176.300 0.011 0.000 1.063 310 M CA 1.363 56.658 55.300 -0.007 0.000 1.119 310 M CB -0.551 32.040 32.600 -0.016 0.000 1.377 310 M HN 0.229 nan 8.290 nan 0.000 0.415 311 I N 0.571 121.142 120.570 0.002 0.000 2.315 311 I HA -0.331 3.839 4.170 -0.000 0.000 0.251 311 I C 2.123 178.263 176.117 0.039 0.000 1.125 311 I CA 1.299 62.615 61.300 0.028 0.000 1.392 311 I CB -0.441 37.574 38.000 0.025 0.000 1.065 311 I HN 0.290 nan 8.210 nan 0.000 0.424 312 I N 0.917 121.502 120.570 0.025 0.000 2.315 312 I HA -0.341 3.829 4.170 -0.000 0.000 0.251 312 I C 2.731 178.897 176.117 0.081 0.000 1.125 312 I CA 1.303 62.626 61.300 0.038 0.000 1.392 312 I CB -0.570 37.458 38.000 0.047 0.000 1.065 312 I HN 0.226 nan 8.210 nan 0.000 0.424 313 A N 0.850 123.719 122.820 0.082 0.000 2.076 313 A HA -0.167 4.153 4.320 -0.000 0.000 0.220 313 A C 2.269 179.908 177.584 0.093 0.000 1.160 313 A CA 1.438 53.528 52.037 0.088 0.000 0.653 313 A CB -0.667 18.373 19.000 0.066 0.000 0.801 313 A HN 0.435 nan 8.150 nan 0.000 0.455 314 I N 0.205 120.837 120.570 0.103 0.000 2.162 314 I HA -0.110 4.060 4.170 -0.000 0.000 0.238 314 I C -0.284 175.940 176.117 0.179 0.000 1.076 314 I CA 1.144 62.536 61.300 0.154 0.000 1.353 314 I CB -1.136 36.974 38.000 0.183 0.000 1.063 314 I HN 0.215 nan 8.210 nan 0.000 0.408 315 P HA -0.140 nan 4.420 nan 0.000 0.216 315 P C 1.552 178.837 177.300 -0.025 0.000 1.150 315 P CA 1.721 64.795 63.100 -0.043 0.000 0.837 315 P CB -0.281 31.172 31.700 -0.412 0.000 0.786 316 T N -0.239 114.321 114.554 0.011 0.000 2.746 316 T HA -0.076 4.274 4.350 -0.000 0.000 0.267 316 T C 2.174 176.819 174.700 -0.092 0.000 1.039 316 T CA 1.818 63.924 62.100 0.010 0.000 1.142 316 T CB -1.183 67.816 68.868 0.219 0.000 0.866 316 T HN 0.211 nan 8.240 nan 0.000 0.444 317 G N 1.101 109.872 108.800 -0.049 0.000 2.422 317 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.218 317 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.218 317 G C 1.691 176.485 174.900 -0.177 0.000 1.146 317 G CA 0.728 45.709 45.100 -0.197 0.000 0.769 317 G HN 0.431 nan 8.290 nan 0.000 0.547 318 V N 0.714 120.657 119.914 0.048 0.000 2.380 318 V HA -0.242 3.878 4.120 -0.000 0.000 0.251 318 V C 2.782 178.788 176.094 -0.148 0.000 1.063 318 V CA 2.312 64.663 62.300 0.086 0.000 1.055 318 V CB -0.359 31.601 31.823 0.228 0.000 0.657 318 V HN 0.401 nan 8.190 nan 0.000 0.455 319 K N -0.693 119.467 120.400 -0.399 0.000 2.116 319 K HA -0.039 4.281 4.320 -0.000 0.000 0.203 319 K C 2.080 178.048 176.600 -1.052 0.000 1.052 319 K CA 0.964 56.729 56.287 -0.871 0.000 0.952 319 K CB -0.221 31.538 32.500 -1.235 0.000 0.729 319 K HN 0.334 nan 8.250 nan 0.000 0.446 320 V N 1.015 120.525 119.914 -0.674 0.000 2.307 320 V HA -0.212 3.908 4.120 -0.000 0.000 0.245 320 V C 1.921 177.904 176.094 -0.184 0.000 1.045 320 V CA 1.740 63.857 62.300 -0.305 0.000 1.024 320 V CB -0.488 31.155 31.823 -0.300 0.000 0.651 320 V HN 0.216 nan 8.190 nan 0.000 0.449 321 F N 0.177 120.098 119.950 -0.048 0.000 2.293 321 F HA -0.133 4.394 4.527 -0.000 0.000 0.300 321 F C 2.583 178.318 175.800 -0.109 0.000 1.086 321 F CA 1.118 59.090 58.000 -0.046 0.000 1.375 321 F CB -0.274 38.697 39.000 -0.049 0.000 1.045 321 F HN 0.090 nan 8.300 nan 0.000 0.516 322 S N -0.890 114.808 115.700 -0.003 0.000 2.406 322 S HA -0.140 4.330 4.470 -0.000 0.000 0.228 322 S C 1.659 176.312 174.600 0.089 0.000 1.020 322 S CA 0.636 58.852 58.200 0.027 0.000 0.965 322 S CB -0.314 62.931 63.200 0.075 0.000 0.798 322 S HN 0.399 nan 8.310 nan 0.000 0.488 323 W N 1.879 123.228 121.300 0.081 0.000 2.388 323 W HA 0.125 4.785 4.660 -0.000 0.000 0.294 323 W C 1.893 178.453 176.519 0.068 0.000 1.212 323 W CA 0.211 57.603 57.345 0.079 0.000 1.271 323 W CB -1.176 28.331 29.460 0.078 0.000 1.126 323 W HN 0.306 nan 8.180 nan 0.000 0.535 324 L N 0.139 121.540 121.223 0.296 0.000 2.056 324 L HA -0.142 4.198 4.340 -0.000 0.000 0.207 324 L C 2.655 179.572 176.870 0.078 0.000 1.078 324 L CA 1.406 56.358 54.840 0.187 0.000 0.749 324 L CB -1.331 40.847 42.059 0.198 0.000 0.901 324 L HN -0.158 nan 8.230 nan 0.000 0.433 325 A N -0.493 122.287 122.820 -0.067 0.000 2.019 325 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 325 A C 2.317 179.894 177.584 -0.011 0.000 1.164 325 A CA 2.204 54.073 52.037 -0.278 0.000 0.644 325 A CB -0.764 17.535 19.000 -1.167 0.000 0.805 325 A HN 0.392 nan 8.150 nan 0.000 0.449 326 T N 0.176 114.820 114.554 0.149 0.000 2.904 326 T HA 0.016 4.366 4.350 -0.000 0.000 0.267 326 T C 1.694 176.478 174.700 0.140 0.000 1.059 326 T CA 1.190 63.419 62.100 0.215 0.000 1.137 326 T CB -0.262 68.769 68.868 0.271 0.000 0.879 326 T HN 0.403 nan 8.240 nan 0.000 0.467 327 L N 0.019 121.317 121.223 0.125 0.000 2.156 327 L HA 0.066 4.406 4.340 -0.000 0.000 0.208 327 L C 1.264 178.183 176.870 0.081 0.000 1.095 327 L CA 0.322 55.204 54.840 0.070 0.000 0.770 327 L CB -0.589 41.506 42.059 0.061 0.000 0.914 327 L HN 0.301 nan 8.230 nan 0.000 0.439 328 H N 0.680 119.754 119.070 0.007 0.000 3.070 328 H HA 0.194 4.750 4.556 -0.000 0.000 0.313 328 H C 1.154 176.489 175.328 0.011 0.000 0.997 328 H CA 0.343 56.390 56.048 -0.002 0.000 1.438 328 H CB 0.459 30.203 29.762 -0.031 0.000 1.455 328 H HN 0.282 nan 8.280 nan 0.000 0.575 329 G N 2.931 111.511 108.800 -0.367 0.000 2.189 329 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.267 329 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.267 329 G C 0.707 175.532 174.900 -0.126 0.000 0.975 329 G CA 0.438 45.361 45.100 -0.295 0.000 0.644 329 G HN 1.032 nan 8.290 nan 0.000 0.537 330 G N -0.475 108.280 108.800 -0.075 0.000 2.539 330 G HA2 0.426 4.386 3.960 -0.000 0.000 0.258 330 G HA3 0.426 4.386 3.960 -0.000 0.000 0.258 330 G C 0.070 174.932 174.900 -0.063 0.000 1.202 330 G CA 0.153 45.217 45.100 -0.060 0.000 0.851 330 G HN 0.493 nan 8.290 nan 0.000 0.556 331 N N 1.188 119.849 118.700 -0.065 0.000 2.555 331 N HA 0.040 4.780 4.740 -0.000 0.000 0.244 331 N C 0.137 175.608 175.510 -0.066 0.000 1.114 331 N CA -0.583 52.436 53.050 -0.052 0.000 0.963 331 N CB -0.037 38.417 38.487 -0.055 0.000 1.276 331 N HN 0.103 nan 8.380 nan 0.000 0.510 332 I N 2.119 122.644 120.570 -0.074 0.000 2.517 332 I HA 0.024 4.194 4.170 -0.000 0.000 0.285 332 I C 0.790 176.809 176.117 -0.164 0.000 1.106 332 I CA -0.128 61.058 61.300 -0.188 0.000 1.402 332 I CB -0.049 37.751 38.000 -0.333 0.000 1.399 332 I HN 0.421 nan 8.210 nan 0.000 0.535 333 K N 6.480 126.807 120.400 -0.122 0.000 2.234 333 K HA 0.198 4.518 4.320 -0.000 0.000 0.277 333 K C -0.728 175.799 176.600 -0.122 0.000 1.038 333 K CA -0.283 56.003 56.287 -0.002 0.000 0.888 333 K CB 0.461 33.056 32.500 0.158 0.000 1.091 333 K HN 0.378 nan 8.250 nan 0.000 0.467 334 W N 4.689 125.965 121.300 -0.040 0.000 1.992 334 W HA 0.118 4.778 4.660 -0.000 0.000 0.449 334 W C 0.173 176.588 176.519 -0.172 0.000 0.617 334 W CA -0.510 56.766 57.345 -0.114 0.000 2.341 334 W CB -0.364 29.037 29.460 -0.099 0.000 1.156 334 W HN 0.540 nan 8.180 nan 0.000 0.538 335 S N -0.216 115.393 115.700 -0.151 0.000 2.614 335 S HA 0.250 4.720 4.470 -0.000 0.000 0.265 335 S C -1.357 173.074 174.600 -0.281 0.000 1.303 335 S CA -1.089 56.967 58.200 -0.239 0.000 1.000 335 S CB 1.404 64.287 63.200 -0.528 0.000 0.935 335 S HN -0.031 nan 8.310 nan 0.000 0.551 336 P HA -0.031 nan 4.420 nan 0.000 0.218 336 P C 1.527 178.758 177.300 -0.116 0.000 1.148 336 P CA 1.752 64.773 63.100 -0.131 0.000 0.822 336 P CB -0.334 31.412 31.700 0.076 0.000 0.784 337 A N -0.431 122.280 122.820 -0.182 0.000 1.877 337 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 337 A C 2.279 179.691 177.584 -0.286 0.000 1.186 337 A CA 2.355 54.305 52.037 -0.145 0.000 0.620 337 A CB -1.497 17.373 19.000 -0.217 0.000 0.822 337 A HN 0.129 nan 8.150 nan 0.000 0.443 338 M N -0.452 118.773 119.600 -0.626 0.000 2.108 338 M HA -0.119 4.361 4.480 -0.000 0.000 0.261 338 M C 2.072 178.168 176.300 -0.339 0.000 1.066 338 M CA 1.883 56.915 55.300 -0.448 0.000 1.107 338 M CB -0.576 31.702 32.600 -0.537 0.000 1.356 338 M HN 0.438 nan 8.290 nan 0.000 0.406 339 M N -1.790 117.524 119.600 -0.478 0.000 2.086 339 M HA -0.235 4.245 4.480 -0.000 0.000 0.261 339 M C 1.983 177.794 176.300 -0.815 0.000 1.067 339 M CA 2.039 56.862 55.300 -0.795 0.000 1.116 339 M CB -0.736 31.064 32.600 -1.333 0.000 1.348 339 M HN 0.408 nan 8.290 nan 0.000 0.407 340 W N 0.139 121.136 121.300 -0.505 0.000 2.342 340 W HA -0.174 4.486 4.660 -0.000 0.000 0.297 340 W C 2.666 179.302 176.519 0.196 0.000 1.213 340 W CA 1.117 58.435 57.345 -0.045 0.000 1.251 340 W CB -0.435 29.012 29.460 -0.023 0.000 1.136 340 W HN 0.247 nan 8.180 nan 0.000 0.526 341 A N -0.254 122.692 122.820 0.209 0.000 1.930 341 A HA -0.070 4.250 4.320 -0.000 0.000 0.215 341 A C 1.908 179.614 177.584 0.204 0.000 1.176 341 A CA 1.047 53.160 52.037 0.127 0.000 0.632 341 A CB -0.840 18.113 19.000 -0.078 0.000 0.819 341 A HN 0.263 nan 8.150 nan 0.000 0.445 342 L N -0.710 120.590 121.223 0.128 0.000 2.056 342 L HA -0.073 4.267 4.340 -0.000 0.000 0.207 342 L C 2.790 179.887 176.870 0.379 0.000 1.078 342 L CA 1.054 56.002 54.840 0.179 0.000 0.749 342 L CB -0.762 41.325 42.059 0.047 0.000 0.901 342 L HN 0.474 nan 8.230 nan 0.000 0.433 343 G N -0.351 108.771 108.800 0.537 0.000 2.422 343 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.218 343 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.218 343 G C 1.507 176.807 174.900 0.667 0.000 1.140 343 G CA 0.414 46.015 45.100 0.836 0.000 0.775 343 G HN 0.306 nan 8.290 nan 0.000 0.545 344 F N 1.274 121.550 119.950 0.543 0.000 2.102 344 F HA -0.044 4.483 4.527 -0.000 0.000 0.298 344 F C 2.426 178.389 175.800 0.271 0.000 1.105 344 F CA 1.344 59.541 58.000 0.328 0.000 1.239 344 F CB -0.122 39.015 39.000 0.228 0.000 0.991 344 F HN 0.101 nan 8.300 nan 0.000 0.474 345 I N -0.728 120.159 120.570 0.527 0.000 2.142 345 I HA -0.311 3.859 4.170 -0.000 0.000 0.240 345 I C 2.330 178.676 176.117 0.382 0.000 1.078 345 I CA 1.593 63.169 61.300 0.460 0.000 1.343 345 I CB -0.674 37.571 38.000 0.409 0.000 1.046 345 I HN 0.209 nan 8.210 nan 0.000 0.405 346 F N 1.630 121.722 119.950 0.237 0.000 2.069 346 F HA -0.246 4.281 4.527 -0.000 0.000 0.298 346 F C 2.204 178.082 175.800 0.130 0.000 1.113 346 F CA 1.819 59.934 58.000 0.192 0.000 1.214 346 F CB -0.477 38.660 39.000 0.230 0.000 0.978 346 F HN -0.107 nan 8.300 nan 0.000 0.474 347 L N -1.353 119.811 121.223 -0.099 0.000 2.156 347 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 347 L C 2.397 179.134 176.870 -0.222 0.000 1.095 347 L CA 1.137 55.838 54.840 -0.232 0.000 0.770 347 L CB -0.879 41.055 42.059 -0.209 0.000 0.914 347 L HN 0.222 nan 8.230 nan 0.000 0.439 348 F N 0.715 120.426 119.950 -0.398 0.000 2.186 348 F HA -0.194 4.333 4.527 -0.000 0.000 0.299 348 F C 2.401 178.089 175.800 -0.187 0.000 1.090 348 F CA 1.703 59.464 58.000 -0.399 0.000 1.307 348 F CB -0.257 38.304 39.000 -0.732 0.000 1.019 348 F HN -0.113 nan 8.300 nan 0.000 0.489 349 T N 0.188 114.650 114.554 -0.154 0.000 2.746 349 T HA -0.151 4.199 4.350 -0.000 0.000 0.267 349 T C 2.151 176.650 174.700 -0.335 0.000 1.039 349 T CA 1.598 63.588 62.100 -0.185 0.000 1.142 349 T CB -0.530 68.332 68.868 -0.010 0.000 0.866 349 T HN 0.121 nan 8.240 nan 0.000 0.444 350 V N 1.304 120.961 119.914 -0.429 0.000 2.287 350 V HA -0.131 3.989 4.120 -0.000 0.000 0.248 350 V C 2.832 178.689 176.094 -0.395 0.000 1.053 350 V CA 2.098 64.122 62.300 -0.460 0.000 1.027 350 V CB -1.310 30.119 31.823 -0.657 0.000 0.646 350 V HN 0.592 nan 8.190 nan 0.000 0.447 351 G N -0.211 108.365 108.800 -0.373 0.000 2.404 351 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.215 351 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.215 351 G C 1.634 176.393 174.900 -0.235 0.000 1.174 351 G CA 0.890 45.821 45.100 -0.282 0.000 0.780 351 G HN 0.590 nan 8.290 nan 0.000 0.537 352 G N 0.840 109.342 108.800 -0.496 0.000 2.422 352 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.218 352 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.218 352 G C 1.811 176.622 174.900 -0.150 0.000 1.146 352 G CA 0.705 45.594 45.100 -0.352 0.000 0.769 352 G HN 0.421 nan 8.290 nan 0.000 0.547 353 L N 1.144 122.267 121.223 -0.168 0.000 2.083 353 L HA -0.080 4.260 4.340 -0.000 0.000 0.209 353 L C 3.265 180.095 176.870 -0.067 0.000 1.083 353 L CA 1.724 56.503 54.840 -0.102 0.000 0.752 353 L CB -0.709 41.286 42.059 -0.105 0.000 0.899 353 L HN 0.413 nan 8.230 nan 0.000 0.433 354 T N -3.904 110.616 114.554 -0.056 0.000 3.055 354 T HA -0.019 4.331 4.350 -0.000 0.000 0.265 354 T C 1.865 176.517 174.700 -0.080 0.000 1.111 354 T CA 0.702 62.811 62.100 0.015 0.000 1.118 354 T CB -0.425 68.403 68.868 -0.066 0.000 0.909 354 T HN 0.371 nan 8.240 nan 0.000 0.501 355 G N 1.561 110.251 108.800 -0.184 0.000 2.422 355 G HA2 0.005 3.965 3.960 -0.000 0.000 0.218 355 G HA3 0.005 3.965 3.960 -0.000 0.000 0.218 355 G C 1.441 176.192 174.900 -0.247 0.000 1.140 355 G CA 0.350 45.125 45.100 -0.542 0.000 0.775 355 G HN 0.470 nan 8.290 nan 0.000 0.545 356 I N 0.836 121.335 120.570 -0.118 0.000 2.617 356 I HA -0.030 4.140 4.170 -0.000 0.000 0.256 356 I C 2.802 178.876 176.117 -0.072 0.000 1.167 356 I CA 0.486 61.738 61.300 -0.080 0.000 1.469 356 I CB -0.453 37.524 38.000 -0.039 0.000 1.098 356 I HN 0.013 nan 8.210 nan 0.000 0.436 357 V N 1.421 121.304 119.914 -0.053 0.000 2.255 357 V HA -0.290 3.830 4.120 -0.000 0.000 0.247 357 V C 2.579 178.621 176.094 -0.088 0.000 1.051 357 V CA 1.720 63.988 62.300 -0.054 0.000 1.018 357 V CB -0.638 31.188 31.823 0.005 0.000 0.641 357 V HN 0.313 nan 8.190 nan 0.000 0.445 358 L N 0.207 121.375 121.223 -0.092 0.000 2.127 358 L HA -0.196 4.144 4.340 -0.000 0.000 0.211 358 L C 2.626 179.465 176.870 -0.053 0.000 1.089 358 L CA 1.492 56.266 54.840 -0.110 0.000 0.757 358 L CB -0.767 41.182 42.059 -0.183 0.000 0.899 358 L HN 0.371 nan 8.230 nan 0.000 0.434 359 A N -0.694 122.077 122.820 -0.081 0.000 2.019 359 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 359 A C 1.060 178.702 177.584 0.096 0.000 1.164 359 A CA 0.903 52.946 52.037 0.010 0.000 0.644 359 A CB -0.544 18.427 19.000 -0.048 0.000 0.805 359 A HN 0.413 nan 8.150 nan 0.000 0.449 360 N N 1.218 119.895 118.700 -0.039 0.000 2.402 360 N HA 0.071 4.811 4.740 -0.000 0.000 0.259 360 N C 1.248 176.595 175.510 -0.271 0.000 1.167 360 N CA 0.720 53.685 53.050 -0.141 0.000 0.949 360 N CB 1.073 39.489 38.487 -0.118 0.000 1.212 360 N HN 0.544 nan 8.380 nan 0.000 0.493 361 S N 1.134 116.469 115.700 -0.608 0.000 2.419 361 S HA -0.157 4.313 4.470 -0.000 0.000 0.235 361 S C 1.853 176.171 174.600 -0.470 0.000 1.019 361 S CA 1.022 58.603 58.200 -1.033 0.000 0.982 361 S CB 0.023 62.152 63.200 -1.785 0.000 0.789 361 S HN 0.382 nan 8.310 nan 0.000 0.490 362 S N 1.790 117.302 115.700 -0.314 0.000 2.345 362 S HA 0.145 4.614 4.470 -0.000 0.000 0.220 362 S C 1.798 176.310 174.600 -0.146 0.000 1.031 362 S CA 1.377 59.461 58.200 -0.193 0.000 0.996 362 S CB -0.528 62.582 63.200 -0.150 0.000 0.882 362 S HN 0.488 nan 8.310 nan 0.000 0.445 363 L N 1.033 122.169 121.223 -0.144 0.000 2.093 363 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 363 L C 2.246 179.050 176.870 -0.110 0.000 1.085 363 L CA 1.213 55.975 54.840 -0.130 0.000 0.755 363 L CB -0.495 41.471 42.059 -0.155 0.000 0.904 363 L HN 0.267 nan 8.230 nan 0.000 0.435 364 D N 0.184 120.530 120.400 -0.091 0.000 2.221 364 D HA -0.208 4.432 4.640 -0.000 0.000 0.204 364 D C 2.106 178.433 176.300 0.043 0.000 0.982 364 D CA 0.881 54.890 54.000 0.015 0.000 0.857 364 D CB 0.169 41.083 40.800 0.190 0.000 0.934 364 D HN 0.096 nan 8.370 nan 0.000 0.475 365 I N 0.186 120.747 120.570 -0.015 0.000 2.163 365 I HA -0.208 3.962 4.170 -0.000 0.000 0.243 365 I C 2.262 178.402 176.117 0.039 0.000 1.085 365 I CA 0.848 62.158 61.300 0.017 0.000 1.347 365 I CB -1.143 36.844 38.000 -0.020 0.000 1.044 365 I HN 0.050 nan 8.210 nan 0.000 0.408 366 V N 0.362 120.273 119.914 -0.005 0.000 3.129 366 V HA -0.052 4.068 4.120 -0.000 0.000 0.259 366 V C 2.199 178.285 176.094 -0.014 0.000 1.116 366 V CA 0.759 63.056 62.300 -0.005 0.000 1.127 366 V CB -0.113 31.689 31.823 -0.036 0.000 0.742 366 V HN 0.320 nan 8.190 nan 0.000 0.474 367 L N -1.385 119.822 121.223 -0.027 0.000 2.515 367 L HA 0.228 4.568 4.340 -0.000 0.000 0.223 367 L C 1.218 178.101 176.870 0.023 0.000 1.079 367 L CA -0.039 54.763 54.840 -0.063 0.000 0.857 367 L CB -0.205 41.725 42.059 -0.214 0.000 1.050 367 L HN 0.375 nan 8.230 nan 0.000 0.476 368 H N 0.945 120.012 119.070 -0.005 0.000 2.871 368 H HA -0.087 4.469 4.556 -0.000 0.000 0.355 368 H C 0.371 175.714 175.328 0.024 0.000 1.092 368 H CA 0.570 56.632 56.048 0.023 0.000 1.420 368 H CB 0.285 30.075 29.762 0.046 0.000 1.400 368 H HN 0.088 nan 8.280 nan 0.000 0.604 369 D N 2.004 121.933 120.400 -0.786 0.000 2.811 369 D HA -0.207 4.433 4.640 -0.000 0.000 0.231 369 D C -0.379 175.777 176.300 -0.239 0.000 1.157 369 D CA 1.478 55.181 54.000 -0.495 0.000 0.716 369 D CB -0.852 39.692 40.800 -0.427 0.000 1.077 369 D HN 0.754 nan 8.370 nan 0.000 0.428 370 T N -4.418 110.032 114.554 -0.175 0.000 2.910 370 T HA 0.415 4.765 4.350 -0.000 0.000 0.287 370 T C 1.144 175.762 174.700 -0.136 0.000 1.050 370 T CA -0.747 61.283 62.100 -0.115 0.000 1.011 370 T CB 0.834 69.689 68.868 -0.023 0.000 1.195 370 T HN -0.051 nan 8.240 nan 0.000 0.540 371 Y N -0.521 119.710 120.300 -0.116 0.000 2.538 371 Y HA -0.079 4.471 4.550 -0.000 0.000 0.287 371 Y C 1.996 177.818 175.900 -0.130 0.000 1.157 371 Y CA 1.295 59.319 58.100 -0.127 0.000 1.338 371 Y CB -0.509 37.854 38.460 -0.160 0.000 0.970 371 Y HN 0.803 nan 8.280 nan 0.000 0.564 372 Y N -1.043 119.203 120.300 -0.090 0.000 2.352 372 Y HA -0.186 4.364 4.550 -0.000 0.000 0.292 372 Y C 2.037 177.856 175.900 -0.134 0.000 1.136 372 Y CA 1.060 59.089 58.100 -0.118 0.000 1.227 372 Y CB -0.137 38.284 38.460 -0.066 0.000 0.991 372 Y HN -0.081 nan 8.280 nan 0.000 0.545 373 V N -1.581 118.349 119.914 0.028 0.000 2.379 373 V HA -0.220 3.900 4.120 -0.000 0.000 0.243 373 V C 2.227 178.170 176.094 -0.252 0.000 1.035 373 V CA 1.431 63.758 62.300 0.045 0.000 1.035 373 V CB -0.615 31.271 31.823 0.105 0.000 0.673 373 V HN 0.230 nan 8.190 nan 0.000 0.457 374 V N 0.856 120.459 119.914 -0.518 0.000 2.324 374 V HA -0.312 3.808 4.120 -0.000 0.000 0.250 374 V C 2.714 178.357 176.094 -0.751 0.000 1.060 374 V CA 2.233 63.942 62.300 -0.986 0.000 1.042 374 V CB -1.324 30.063 31.823 -0.725 0.000 0.650 374 V HN 0.551 nan 8.190 nan 0.000 0.450 375 A N -0.107 122.423 122.820 -0.484 0.000 1.873 375 A HA -0.265 4.055 4.320 -0.000 0.000 0.215 375 A C 2.138 179.459 177.584 -0.439 0.000 1.186 375 A CA 2.136 53.867 52.037 -0.510 0.000 0.616 375 A CB -0.877 17.483 19.000 -1.066 0.000 0.823 375 A HN 0.777 nan 8.150 nan 0.000 0.442 376 H N 0.228 118.997 119.070 -0.501 0.000 2.265 376 H HA -0.235 4.321 4.556 -0.000 0.000 0.295 376 H C 1.657 176.881 175.328 -0.175 0.000 1.084 376 H CA 2.591 58.467 56.048 -0.288 0.000 1.261 376 H CB -0.726 28.924 29.762 -0.186 0.000 1.360 376 H HN 0.604 nan 8.280 nan 0.000 0.487 377 F N -1.945 117.704 119.950 -0.501 0.000 2.558 377 F HA 0.131 4.658 4.527 -0.000 0.000 0.298 377 F C 1.845 177.273 175.800 -0.619 0.000 1.119 377 F CA 0.452 58.047 58.000 -0.675 0.000 1.451 377 F CB -0.559 38.190 39.000 -0.418 0.000 1.091 377 F HN 0.162 nan 8.300 nan 0.000 0.563 378 H N -1.323 117.355 119.070 -0.654 0.000 2.495 378 H HA -0.018 4.538 4.556 -0.000 0.000 0.287 378 H C 1.412 176.266 175.328 -0.791 0.000 1.033 378 H CA 1.799 57.297 56.048 -0.917 0.000 1.307 378 H CB -0.199 28.419 29.762 -1.906 0.000 1.401 378 H HN 0.298 nan 8.280 nan 0.000 0.555 379 Y N -0.116 119.878 120.300 -0.510 0.000 2.133 379 Y HA -0.233 4.317 4.550 -0.000 0.000 0.287 379 Y C 2.620 178.292 175.900 -0.379 0.000 1.134 379 Y CA 1.419 59.281 58.100 -0.396 0.000 1.133 379 Y CB -0.374 37.886 38.460 -0.333 0.000 0.987 379 Y HN 0.128 nan 8.280 nan 0.000 0.502 380 V N -1.906 117.848 119.914 -0.267 0.000 2.490 380 V HA -0.220 3.900 4.120 -0.000 0.000 0.250 380 V C 1.767 177.783 176.094 -0.130 0.000 1.061 380 V CA 1.756 63.942 62.300 -0.191 0.000 1.064 380 V CB -0.807 30.872 31.823 -0.241 0.000 0.670 380 V HN 0.402 nan 8.190 nan 0.000 0.461 381 L N -0.152 120.943 121.223 -0.213 0.000 2.349 381 L HA 0.160 4.500 4.340 -0.000 0.000 0.200 381 L C 2.632 179.432 176.870 -0.116 0.000 1.064 381 L CA 1.283 56.017 54.840 -0.177 0.000 0.821 381 L CB -0.187 41.712 42.059 -0.267 0.000 1.027 381 L HN 0.358 nan 8.230 nan 0.000 0.476 382 S N -0.954 114.643 115.700 -0.171 0.000 2.558 382 S HA 0.110 4.580 4.470 -0.000 0.000 0.217 382 S C 1.659 176.244 174.600 -0.025 0.000 0.975 382 S CA 0.300 58.476 58.200 -0.040 0.000 0.912 382 S CB 0.171 63.354 63.200 -0.028 0.000 0.776 382 S HN 0.225 nan 8.310 nan 0.000 0.526 383 M N -0.438 119.022 119.600 -0.233 0.000 2.906 383 M HA 0.301 4.781 4.480 -0.000 0.000 0.252 383 M C 2.361 178.515 176.300 -0.244 0.000 1.359 383 M CA 0.867 55.877 55.300 -0.483 0.000 1.239 383 M CB -0.689 31.448 32.600 -0.772 0.000 1.229 383 M HN 0.326 nan 8.290 nan 0.000 0.547 384 G N 0.528 109.239 108.800 -0.148 0.000 2.496 384 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.214 384 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.214 384 G C 1.615 176.736 174.900 0.368 0.000 1.234 384 G CA 0.962 46.038 45.100 -0.040 0.000 0.807 384 G HN 0.450 nan 8.290 nan 0.000 0.543 385 A N -0.171 122.772 122.820 0.205 0.000 1.908 385 A HA 0.054 4.374 4.320 -0.000 0.000 0.218 385 A C 2.600 180.309 177.584 0.208 0.000 1.181 385 A CA 1.999 54.140 52.037 0.174 0.000 0.627 385 A CB -0.736 18.274 19.000 0.016 0.000 0.818 385 A HN 0.281 nan 8.150 nan 0.000 0.445 386 V N -1.416 118.634 119.914 0.227 0.000 2.358 386 V HA -0.200 3.920 4.120 -0.000 0.000 0.246 386 V C 2.280 178.566 176.094 0.320 0.000 1.047 386 V CA 1.812 64.253 62.300 0.235 0.000 1.035 386 V CB -0.812 31.160 31.823 0.248 0.000 0.658 386 V HN 0.633 nan 8.190 nan 0.000 0.452 387 F N 0.191 120.284 119.950 0.238 0.000 2.259 387 F HA -0.092 4.435 4.527 -0.000 0.000 0.298 387 F C 2.459 178.386 175.800 0.212 0.000 1.088 387 F CA 0.747 58.946 58.000 0.331 0.000 1.358 387 F CB -0.360 39.035 39.000 0.659 0.000 1.040 387 F HN 0.138 nan 8.300 nan 0.000 0.505 388 A N 0.603 123.672 122.820 0.415 0.000 1.908 388 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 388 A C 2.127 179.695 177.584 -0.027 0.000 1.181 388 A CA 1.556 53.630 52.037 0.062 0.000 0.627 388 A CB -0.992 17.961 19.000 -0.077 0.000 0.818 388 A HN 0.417 nan 8.150 nan 0.000 0.445 389 I N -1.039 119.548 120.570 0.029 0.000 2.202 389 I HA -0.260 3.910 4.170 -0.000 0.000 0.242 389 I C 2.602 178.725 176.117 0.010 0.000 1.091 389 I CA 1.131 62.462 61.300 0.051 0.000 1.368 389 I CB -0.202 37.875 38.000 0.127 0.000 1.058 389 I HN 0.262 nan 8.210 nan 0.000 0.410 390 M N 0.173 119.616 119.600 -0.262 0.000 2.099 390 M HA -0.087 4.393 4.480 -0.000 0.000 0.262 390 M C 2.412 178.428 176.300 -0.474 0.000 1.067 390 M CA 1.816 56.735 55.300 -0.636 0.000 1.124 390 M CB -2.052 29.481 32.600 -1.779 0.000 1.353 390 M HN 0.286 nan 8.290 nan 0.000 0.410 391 G N -0.290 108.319 108.800 -0.319 0.000 2.446 391 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.217 391 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.217 391 G C 1.590 176.485 174.900 -0.008 0.000 1.168 391 G CA 1.199 46.285 45.100 -0.023 0.000 0.771 391 G HN 0.560 nan 8.290 nan 0.000 0.551 392 G N 0.075 108.858 108.800 -0.028 0.000 2.408 392 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.217 392 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.217 392 G C 1.629 176.783 174.900 0.423 0.000 1.150 392 G CA 0.853 45.981 45.100 0.047 0.000 0.776 392 G HN 0.379 nan 8.290 nan 0.000 0.542 393 F N 1.921 122.084 119.950 0.355 0.000 2.146 393 F HA -0.103 4.424 4.527 -0.000 0.000 0.298 393 F C 2.705 178.658 175.800 0.254 0.000 1.096 393 F CA 1.805 60.100 58.000 0.493 0.000 1.275 393 F CB -0.209 38.989 39.000 0.329 0.000 1.008 393 F HN 0.060 nan 8.300 nan 0.000 0.480 394 V N -1.425 118.638 119.914 0.247 0.000 2.358 394 V HA -0.235 3.885 4.120 -0.000 0.000 0.246 394 V C 2.426 178.542 176.094 0.037 0.000 1.047 394 V CA 2.342 64.701 62.300 0.097 0.000 1.035 394 V CB -1.541 30.404 31.823 0.205 0.000 0.658 394 V HN 0.507 nan 8.190 nan 0.000 0.452 395 H N -0.925 118.088 119.070 -0.094 0.000 2.353 395 H HA -0.130 4.426 4.556 -0.000 0.000 0.300 395 H C 1.758 176.934 175.328 -0.253 0.000 1.090 395 H CA 2.432 58.334 56.048 -0.243 0.000 1.327 395 H CB -0.136 29.303 29.762 -0.537 0.000 1.383 395 H HN 0.579 nan 8.280 nan 0.000 0.508 396 W N -0.863 120.228 121.300 -0.349 0.000 3.127 396 W HA 0.089 4.749 4.660 -0.000 0.000 0.344 396 W C 1.362 177.134 176.519 -1.245 0.000 1.151 396 W CA -0.458 56.342 57.345 -0.909 0.000 1.765 396 W CB -0.687 28.062 29.460 -1.185 0.000 1.085 396 W HN 0.184 nan 8.180 nan 0.000 0.596 397 F N 3.077 122.581 119.950 -0.743 0.000 2.087 397 F HA -0.197 4.330 4.527 -0.000 0.000 0.299 397 F C -0.777 174.737 175.800 -0.478 0.000 1.100 397 F CA 2.077 59.636 58.000 -0.736 0.000 1.226 397 F CB -1.357 37.174 39.000 -0.782 0.000 0.983 397 F HN -0.256 nan 8.300 nan 0.000 0.479 398 P HA -0.123 nan 4.420 nan 0.000 0.223 398 P C 1.604 178.741 177.300 -0.272 0.000 1.151 398 P CA 0.969 63.956 63.100 -0.189 0.000 0.787 398 P CB -0.046 31.706 31.700 0.087 0.000 0.788 399 L N -1.756 119.151 121.223 -0.527 0.000 2.127 399 L HA 0.037 4.377 4.340 -0.000 0.000 0.203 399 L C 1.858 178.398 176.870 -0.550 0.000 1.080 399 L CA 1.841 56.283 54.840 -0.663 0.000 0.768 399 L CB -1.280 39.977 42.059 -1.336 0.000 0.924 399 L HN -0.184 nan 8.230 nan 0.000 0.444 400 F N -0.085 119.331 119.950 -0.889 0.000 2.186 400 F HA -0.067 4.460 4.527 -0.000 0.000 0.299 400 F C 2.754 178.210 175.800 -0.574 0.000 1.090 400 F CA 1.037 58.367 58.000 -1.115 0.000 1.307 400 F CB -1.612 36.679 39.000 -1.182 0.000 1.019 400 F HN 0.392 nan 8.300 nan 0.000 0.489 401 S N -1.786 113.615 115.700 -0.497 0.000 2.497 401 S HA 0.440 4.910 4.470 -0.000 0.000 0.221 401 S C 1.826 176.123 174.600 -0.505 0.000 1.037 401 S CA 0.480 58.418 58.200 -0.437 0.000 0.920 401 S CB 0.411 63.113 63.200 -0.830 0.000 0.800 401 S HN 0.514 nan 8.310 nan 0.000 0.505 402 G N 0.031 108.552 108.800 -0.466 0.000 2.175 402 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.244 402 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.244 402 G C -0.284 174.375 174.900 -0.401 0.000 0.982 402 G CA 0.274 45.127 45.100 -0.412 0.000 0.641 402 G HN 0.517 nan 8.290 nan 0.000 0.527 403 Y N 0.865 121.051 120.300 -0.190 0.000 2.524 403 Y HA 0.691 5.241 4.550 -0.000 0.000 0.344 403 Y C 0.870 176.768 175.900 -0.003 0.000 1.012 403 Y CA -0.663 57.380 58.100 -0.095 0.000 1.068 403 Y CB 1.671 40.062 38.460 -0.115 0.000 1.249 403 Y HN 0.319 nan 8.280 nan 0.000 0.468 404 T N 0.007 114.698 114.554 0.228 0.000 2.934 404 T HA 0.759 5.109 4.350 -0.000 0.000 0.283 404 T C -0.328 174.455 174.700 0.140 0.000 1.005 404 T CA -0.829 61.378 62.100 0.179 0.000 1.041 404 T CB 0.733 69.662 68.868 0.101 0.000 1.042 404 T HN 0.484 nan 8.240 nan 0.000 0.505 405 L N 1.752 123.019 121.223 0.074 0.000 2.416 405 L HA 0.437 4.777 4.340 -0.000 0.000 0.262 405 L C 0.971 177.859 176.870 0.029 0.000 1.093 405 L CA -1.234 53.577 54.840 -0.047 0.000 0.801 405 L CB 0.652 42.643 42.059 -0.115 0.000 1.191 405 L HN 0.716 nan 8.230 nan 0.000 0.459 406 N N 0.784 119.523 118.700 0.065 0.000 2.470 406 N HA -0.025 4.715 4.740 -0.000 0.000 0.268 406 N C 0.050 175.650 175.510 0.151 0.000 1.136 406 N CA -0.022 53.113 53.050 0.141 0.000 0.961 406 N CB 1.336 40.006 38.487 0.304 0.000 1.067 406 N HN 0.531 nan 8.380 nan 0.000 0.468 407 D N 2.233 122.693 120.400 0.100 0.000 2.178 407 D HA -0.075 4.565 4.640 -0.000 0.000 0.202 407 D C 1.224 177.580 176.300 0.094 0.000 0.974 407 D CA 1.363 55.418 54.000 0.091 0.000 0.841 407 D CB 0.136 40.970 40.800 0.055 0.000 0.953 407 D HN 0.591 nan 8.370 nan 0.000 0.478 408 T N -0.723 113.860 114.554 0.049 0.000 2.708 408 T HA -0.161 4.189 4.350 -0.000 0.000 0.266 408 T C 1.754 176.484 174.700 0.050 0.000 1.037 408 T CA 0.912 63.002 62.100 -0.017 0.000 1.146 408 T CB -0.513 68.268 68.868 -0.145 0.000 0.865 408 T HN 0.327 nan 8.240 nan 0.000 0.435 409 W N 1.242 122.610 121.300 0.113 0.000 2.363 409 W HA 0.047 4.707 4.660 -0.000 0.000 0.296 409 W C 2.808 179.440 176.519 0.188 0.000 1.212 409 W CA 0.480 57.924 57.345 0.165 0.000 1.260 409 W CB -0.216 29.356 29.460 0.187 0.000 1.131 409 W HN 0.219 nan 8.180 nan 0.000 0.530 410 A N 0.246 123.307 122.820 0.401 0.000 1.969 410 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 410 A C 1.796 179.592 177.584 0.353 0.000 1.169 410 A CA 1.507 53.772 52.037 0.380 0.000 0.635 410 A CB -0.503 18.667 19.000 0.283 0.000 0.810 410 A HN 0.276 nan 8.150 nan 0.000 0.445 411 K N -0.422 120.107 120.400 0.214 0.000 2.097 411 K HA 0.015 4.335 4.320 -0.000 0.000 0.205 411 K C 1.649 178.355 176.600 0.178 0.000 1.050 411 K CA 1.323 57.693 56.287 0.139 0.000 0.938 411 K CB -0.283 32.248 32.500 0.052 0.000 0.718 411 K HN 0.511 nan 8.250 nan 0.000 0.442 412 I N 0.475 121.173 120.570 0.213 0.000 2.252 412 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 412 I C 2.650 178.926 176.117 0.264 0.000 1.102 412 I CA 1.115 62.540 61.300 0.209 0.000 1.385 412 I CB -0.352 37.804 38.000 0.260 0.000 1.064 412 I HN 0.335 nan 8.210 nan 0.000 0.414 413 H N 0.841 120.078 119.070 0.278 0.000 2.319 413 H HA -0.283 4.273 4.556 -0.000 0.000 0.299 413 H C 2.277 177.721 175.328 0.195 0.000 1.092 413 H CA 2.240 58.455 56.048 0.279 0.000 1.302 413 H CB -0.205 29.774 29.762 0.361 0.000 1.373 413 H HN 0.340 nan 8.280 nan 0.000 0.497 414 F N 1.516 121.319 119.950 -0.245 0.000 2.069 414 F HA -0.181 4.346 4.527 -0.000 0.000 0.298 414 F C 2.685 178.226 175.800 -0.431 0.000 1.113 414 F CA 1.944 59.461 58.000 -0.805 0.000 1.214 414 F CB -0.839 37.535 39.000 -1.043 0.000 0.978 414 F HN 0.226 nan 8.300 nan 0.000 0.474 415 A N 0.952 123.585 122.820 -0.311 0.000 1.883 415 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 415 A C 2.316 179.790 177.584 -0.183 0.000 1.186 415 A CA 2.235 54.109 52.037 -0.272 0.000 0.624 415 A CB -1.354 17.613 19.000 -0.055 0.000 0.822 415 A HN 0.538 nan 8.150 nan 0.000 0.444 416 I N -1.503 119.014 120.570 -0.088 0.000 2.179 416 I HA -0.273 3.897 4.170 -0.000 0.000 0.242 416 I C 2.666 178.755 176.117 -0.047 0.000 1.088 416 I CA 1.988 63.276 61.300 -0.021 0.000 1.357 416 I CB -0.233 37.798 38.000 0.052 0.000 1.051 416 I HN 0.444 nan 8.210 nan 0.000 0.409 417 M N 0.192 119.714 119.600 -0.130 0.000 2.175 417 M HA -0.208 4.272 4.480 -0.000 0.000 0.264 417 M C 2.014 178.317 176.300 0.005 0.000 1.063 417 M CA 1.780 57.053 55.300 -0.044 0.000 1.119 417 M CB -0.430 32.153 32.600 -0.028 0.000 1.377 417 M HN 0.173 nan 8.290 nan 0.000 0.415 418 F N -0.370 119.377 119.950 -0.339 0.000 2.113 418 F HA -0.156 4.371 4.527 -0.000 0.000 0.297 418 F C 1.885 177.649 175.800 -0.059 0.000 1.103 418 F CA 1.800 59.690 58.000 -0.184 0.000 1.248 418 F CB -0.583 38.085 39.000 -0.554 0.000 0.999 418 F HN -0.043 nan 8.300 nan 0.000 0.475 419 V N 0.490 120.460 119.914 0.093 0.000 2.252 419 V HA -0.318 3.802 4.120 -0.000 0.000 0.249 419 V C 2.750 178.829 176.094 -0.025 0.000 1.056 419 V CA 2.104 64.425 62.300 0.035 0.000 1.022 419 V CB -1.778 30.079 31.823 0.057 0.000 0.641 419 V HN 0.554 nan 8.190 nan 0.000 0.445 420 G N 0.327 109.123 108.800 -0.007 0.000 2.421 420 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.216 420 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.216 420 G C 1.744 176.613 174.900 -0.053 0.000 1.171 420 G CA 1.621 46.715 45.100 -0.011 0.000 0.775 420 G HN 0.609 nan 8.290 nan 0.000 0.543 421 V N -0.706 119.199 119.914 -0.015 0.000 2.515 421 V HA -0.136 3.984 4.120 -0.000 0.000 0.250 421 V C 2.241 178.287 176.094 -0.079 0.000 1.058 421 V CA 2.047 64.355 62.300 0.015 0.000 1.064 421 V CB -0.612 31.285 31.823 0.124 0.000 0.675 421 V HN 0.250 nan 8.190 nan 0.000 0.461 422 N N 0.216 118.814 118.700 -0.170 0.000 2.171 422 N HA -0.089 4.651 4.740 -0.000 0.000 0.184 422 N C 1.882 177.393 175.510 0.002 0.000 1.021 422 N CA 2.060 55.045 53.050 -0.108 0.000 0.854 422 N CB -0.286 38.068 38.487 -0.223 0.000 0.994 422 N HN 0.556 nan 8.380 nan 0.000 0.426 423 M N 1.011 120.586 119.600 -0.040 0.000 2.149 423 M HA -0.147 4.333 4.480 -0.000 0.000 0.261 423 M C 1.587 177.826 176.300 -0.102 0.000 1.064 423 M CA 1.316 56.606 55.300 -0.017 0.000 1.102 423 M CB -0.118 32.475 32.600 -0.012 0.000 1.369 423 M HN 0.041 nan 8.290 nan 0.000 0.408 424 T N -0.071 114.318 114.554 -0.276 0.000 2.701 424 T HA -0.099 4.251 4.350 -0.000 0.000 0.263 424 T C 1.202 175.520 174.700 -0.636 0.000 1.040 424 T CA 1.615 63.369 62.100 -0.577 0.000 1.147 424 T CB -0.320 67.904 68.868 -1.072 0.000 0.865 424 T HN 0.424 nan 8.240 nan 0.000 0.426 425 F N -0.830 119.065 119.950 -0.093 0.000 2.622 425 F HA 0.334 4.861 4.527 -0.000 0.000 0.288 425 F C 1.764 177.561 175.800 -0.006 0.000 1.120 425 F CA -0.523 57.405 58.000 -0.118 0.000 1.423 425 F CB -0.164 38.698 39.000 -0.231 0.000 1.127 425 F HN 0.012 nan 8.300 nan 0.000 0.588 426 F N 2.842 122.883 119.950 0.151 0.000 2.095 426 F HA -0.077 4.450 4.527 -0.000 0.000 0.298 426 F C -0.885 174.764 175.800 -0.251 0.000 1.104 426 F CA 1.148 59.214 58.000 0.110 0.000 1.232 426 F CB -1.595 37.435 39.000 0.049 0.000 0.987 426 F HN -0.170 nan 8.300 nan 0.000 0.475 427 P HA -0.125 nan 4.420 nan 0.000 0.234 427 P C 0.983 177.969 177.300 -0.523 0.000 1.167 427 P CA 1.267 64.044 63.100 -0.539 0.000 0.763 427 P CB -0.197 31.500 31.700 -0.006 0.000 0.835 428 Q N -1.794 117.759 119.800 -0.412 0.000 2.311 428 Q HA -0.118 4.222 4.340 -0.000 0.000 0.203 428 Q C 1.608 177.374 176.000 -0.390 0.000 0.954 428 Q CA 0.763 56.398 55.803 -0.280 0.000 0.885 428 Q CB -0.439 28.258 28.738 -0.068 0.000 0.963 428 Q HN 0.484 nan 8.270 nan 0.000 0.471 429 H N -0.858 117.830 119.070 -0.638 0.000 2.352 429 H HA -0.160 4.396 4.556 -0.000 0.000 0.299 429 H C 1.325 176.443 175.328 -0.350 0.000 1.097 429 H CA 1.684 57.340 56.048 -0.654 0.000 1.311 429 H CB 0.029 29.168 29.762 -1.039 0.000 1.377 429 H HN 0.197 nan 8.280 nan 0.000 0.504 430 F N 0.039 119.820 119.950 -0.281 0.000 2.163 430 F HA -0.050 4.477 4.527 -0.000 0.000 0.297 430 F C 2.190 177.958 175.800 -0.054 0.000 1.094 430 F CA 0.705 58.540 58.000 -0.274 0.000 1.290 430 F CB -0.874 37.647 39.000 -0.799 0.000 1.017 430 F HN 0.075 nan 8.300 nan 0.000 0.483 431 L N -0.460 120.818 121.223 0.092 0.000 2.083 431 L HA -0.116 4.224 4.340 -0.000 0.000 0.209 431 L C 2.694 179.602 176.870 0.062 0.000 1.083 431 L CA 1.325 56.222 54.840 0.094 0.000 0.752 431 L CB -1.320 40.661 42.059 -0.129 0.000 0.899 431 L HN 0.257 nan 8.230 nan 0.000 0.433 432 G N 0.059 108.919 108.800 0.101 0.000 2.414 432 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.215 432 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.215 432 G C 1.603 176.588 174.900 0.142 0.000 1.188 432 G CA 0.337 45.527 45.100 0.149 0.000 0.783 432 G HN 0.204 nan 8.290 nan 0.000 0.537 433 L N 1.674 123.009 121.223 0.187 0.000 2.131 433 L HA -0.086 4.254 4.340 -0.000 0.000 0.210 433 L C 2.995 179.939 176.870 0.123 0.000 1.092 433 L CA 1.453 56.358 54.840 0.108 0.000 0.759 433 L CB -0.334 41.812 42.059 0.145 0.000 0.903 433 L HN 0.417 nan 8.230 nan 0.000 0.435 434 S N -0.920 114.898 115.700 0.196 0.000 2.603 434 S HA 0.156 4.626 4.470 -0.000 0.000 0.220 434 S C 1.400 176.180 174.600 0.300 0.000 0.967 434 S CA 0.365 58.719 58.200 0.257 0.000 0.920 434 S CB 0.372 63.788 63.200 0.360 0.000 0.773 434 S HN 0.556 nan 8.310 nan 0.000 0.529 435 G N 1.033 109.932 108.800 0.166 0.000 2.148 435 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.203 435 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.203 435 G C -0.139 174.730 174.900 -0.051 0.000 0.993 435 G CA -0.002 45.160 45.100 0.105 0.000 0.661 435 G HN 0.581 nan 8.290 nan 0.000 0.518 436 M N 1.446 120.838 119.600 -0.347 0.000 2.217 436 M HA 0.408 4.888 4.480 -0.000 0.000 0.352 436 M C -2.107 174.024 176.300 -0.283 0.000 1.376 436 M CA -1.400 53.521 55.300 -0.632 0.000 1.107 436 M CB 0.750 32.774 32.600 -0.961 0.000 1.723 436 M HN -0.022 nan 8.290 nan 0.000 0.461 437 P HA 0.182 nan 4.420 nan 0.000 0.272 437 P C -1.136 175.985 177.300 -0.298 0.000 1.240 437 P CA -0.081 62.702 63.100 -0.528 0.000 0.791 437 P CB 0.597 31.541 31.700 -1.259 0.000 0.978 438 R N 1.175 121.541 120.500 -0.224 0.000 2.549 438 R HA 0.433 4.773 4.340 -0.000 0.000 0.267 438 R C 0.390 176.741 176.300 0.084 0.000 1.045 438 R CA -0.538 55.446 56.100 -0.193 0.000 1.115 438 R CB 0.367 30.554 30.300 -0.187 0.000 1.121 438 R HN 0.391 nan 8.270 nan 0.000 0.543 439 R N -0.205 120.440 120.500 0.241 0.000 3.774 439 R HA -0.220 4.120 4.340 -0.000 0.000 0.320 439 R C -1.112 175.553 176.300 0.608 0.000 1.175 439 R CA 0.710 57.044 56.100 0.389 0.000 0.849 439 R CB -1.806 28.647 30.300 0.255 0.000 1.365 439 R HN 0.566 nan 8.270 nan 0.000 0.502 440 Y N -0.775 119.690 120.300 0.275 0.000 2.361 440 Y HA 0.160 4.710 4.550 -0.000 0.000 0.332 440 Y C 1.654 177.481 175.900 -0.121 0.000 1.101 440 Y CA -0.104 58.075 58.100 0.132 0.000 1.137 440 Y CB 1.625 40.164 38.460 0.132 0.000 1.207 440 Y HN 0.156 nan 8.280 nan 0.000 0.463 441 S N -0.183 115.326 115.700 -0.319 0.000 2.524 441 S HA 0.097 4.567 4.470 -0.000 0.000 0.216 441 S C -0.214 174.154 174.600 -0.387 0.000 0.987 441 S CA 0.230 57.983 58.200 -0.744 0.000 0.909 441 S CB 0.263 63.115 63.200 -0.580 0.000 0.781 441 S HN 0.719 nan 8.310 nan 0.000 0.521 442 D N -0.528 119.747 120.400 -0.208 0.000 2.622 442 D HA 0.490 5.130 4.640 -0.000 0.000 0.255 442 D C -1.840 174.439 176.300 -0.036 0.000 1.246 442 D CA -0.687 53.145 54.000 -0.280 0.000 0.795 442 D CB 1.558 42.181 40.800 -0.295 0.000 1.369 442 D HN 0.237 nan 8.370 nan 0.000 0.425 443 Y N -1.862 118.508 120.300 0.116 0.000 2.562 443 Y HA 0.752 5.302 4.550 -0.000 0.000 0.345 443 Y C -2.678 173.363 175.900 0.236 0.000 1.045 443 Y CA -2.459 55.783 58.100 0.237 0.000 1.028 443 Y CB 0.070 38.652 38.460 0.203 0.000 1.297 443 Y HN 0.038 nan 8.280 nan 0.000 0.463 444 P HA 0.056 nan 4.420 nan 0.000 0.267 444 P C 0.007 177.484 177.300 0.295 0.000 1.200 444 P CA 0.239 63.519 63.100 0.300 0.000 0.772 444 P CB 0.876 32.729 31.700 0.255 0.000 0.855 445 D N 1.526 121.997 120.400 0.119 0.000 2.218 445 D HA -0.131 4.509 4.640 -0.000 0.000 0.204 445 D C 1.864 178.171 176.300 0.012 0.000 0.976 445 D CA 1.457 55.514 54.000 0.096 0.000 0.853 445 D CB -0.502 40.306 40.800 0.014 0.000 0.939 445 D HN 0.363 nan 8.370 nan 0.000 0.481 446 A N -0.097 122.631 122.820 -0.154 0.000 2.076 446 A HA -0.196 4.124 4.320 -0.000 0.000 0.220 446 A C 1.300 178.704 177.584 -0.300 0.000 1.160 446 A CA 0.960 52.822 52.037 -0.292 0.000 0.653 446 A CB -0.771 17.944 19.000 -0.476 0.000 0.801 446 A HN 0.261 nan 8.150 nan 0.000 0.455 447 Y N 0.120 120.407 120.300 -0.023 0.000 2.490 447 Y HA 0.045 4.595 4.550 -0.000 0.000 0.281 447 Y C 2.417 178.091 175.900 -0.378 0.000 1.174 447 Y CA 0.481 58.477 58.100 -0.173 0.000 1.295 447 Y CB -1.069 37.261 38.460 -0.218 0.000 1.062 447 Y HN 0.229 nan 8.280 nan 0.000 0.522 448 T N 0.222 114.726 114.554 -0.083 0.000 2.684 448 T HA -0.318 4.032 4.350 -0.000 0.000 0.267 448 T C 2.103 176.690 174.700 -0.188 0.000 1.036 448 T CA 1.869 63.936 62.100 -0.056 0.000 1.148 448 T CB -0.268 68.644 68.868 0.074 0.000 0.863 448 T HN 0.425 nan 8.240 nan 0.000 0.436 449 M N -0.579 118.828 119.600 -0.322 0.000 2.065 449 M HA -0.127 4.353 4.480 -0.000 0.000 0.259 449 M C 1.975 178.076 176.300 -0.333 0.000 1.069 449 M CA 1.914 56.949 55.300 -0.441 0.000 1.110 449 M CB -0.251 31.883 32.600 -0.778 0.000 1.328 449 M HN 0.417 nan 8.290 nan 0.000 0.405 450 W N 0.468 121.737 121.300 -0.052 0.000 2.388 450 W HA -0.121 4.539 4.660 -0.000 0.000 0.294 450 W C 2.230 178.661 176.519 -0.148 0.000 1.212 450 W CA 0.211 57.531 57.345 -0.042 0.000 1.271 450 W CB -0.648 28.820 29.460 0.013 0.000 1.126 450 W HN 0.316 nan 8.180 nan 0.000 0.535 451 N N 0.113 118.763 118.700 -0.083 0.000 2.104 451 N HA -0.141 4.599 4.740 -0.000 0.000 0.190 451 N C 1.505 176.964 175.510 -0.085 0.000 1.024 451 N CA 2.242 55.170 53.050 -0.202 0.000 0.853 451 N CB -0.763 37.426 38.487 -0.496 0.000 1.008 451 N HN 0.117 nan 8.380 nan 0.000 0.424 452 T N 2.277 116.793 114.554 -0.064 0.000 2.652 452 T HA -0.082 4.268 4.350 -0.000 0.000 0.267 452 T C 2.145 176.822 174.700 -0.039 0.000 1.039 452 T CA 0.947 63.019 62.100 -0.047 0.000 1.153 452 T CB -0.294 68.540 68.868 -0.057 0.000 0.863 452 T HN 0.206 nan 8.240 nan 0.000 0.428 453 I N 1.090 121.668 120.570 0.013 0.000 2.264 453 I HA -0.177 3.993 4.170 -0.000 0.000 0.248 453 I C 2.777 178.893 176.117 -0.002 0.000 1.111 453 I CA 1.073 62.400 61.300 0.045 0.000 1.382 453 I CB -0.405 37.702 38.000 0.178 0.000 1.060 453 I HN 0.254 nan 8.210 nan 0.000 0.418 454 S N -0.044 115.639 115.700 -0.029 0.000 2.387 454 S HA -0.139 4.331 4.470 -0.000 0.000 0.226 454 S C 2.205 176.715 174.600 -0.149 0.000 1.026 454 S CA 1.774 59.899 58.200 -0.126 0.000 0.972 454 S CB -0.097 63.008 63.200 -0.160 0.000 0.814 454 S HN 0.380 nan 8.310 nan 0.000 0.477 455 S N 1.204 116.841 115.700 -0.104 0.000 2.383 455 S HA 0.068 4.538 4.470 -0.000 0.000 0.227 455 S C 1.877 176.410 174.600 -0.111 0.000 1.026 455 S CA 1.340 59.487 58.200 -0.089 0.000 0.981 455 S CB -0.333 62.821 63.200 -0.078 0.000 0.818 455 S HN 0.526 nan 8.310 nan 0.000 0.472 456 M N 0.877 120.398 119.600 -0.133 0.000 2.159 456 M HA -0.044 4.436 4.480 -0.000 0.000 0.263 456 M C 2.456 178.743 176.300 -0.022 0.000 1.063 456 M CA 1.393 56.613 55.300 -0.133 0.000 1.110 456 M CB -0.816 31.724 32.600 -0.100 0.000 1.374 456 M HN 0.451 nan 8.290 nan 0.000 0.411 457 G N 0.163 108.937 108.800 -0.044 0.000 2.442 457 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.219 457 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.219 457 G C 1.638 176.520 174.900 -0.031 0.000 1.141 457 G CA 1.329 46.397 45.100 -0.052 0.000 0.763 457 G HN 0.566 nan 8.290 nan 0.000 0.554 458 S N -0.059 115.625 115.700 -0.027 0.000 2.382 458 S HA -0.013 4.457 4.470 -0.000 0.000 0.228 458 S C 2.135 176.852 174.600 0.194 0.000 1.027 458 S CA 0.936 59.155 58.200 0.032 0.000 0.991 458 S CB -0.615 62.600 63.200 0.025 0.000 0.823 458 S HN 0.357 nan 8.310 nan 0.000 0.469 459 F N 1.500 121.425 119.950 -0.042 0.000 2.146 459 F HA 0.081 4.608 4.527 -0.000 0.000 0.298 459 F C 2.319 178.116 175.800 -0.004 0.000 1.096 459 F CA 0.942 58.933 58.000 -0.016 0.000 1.275 459 F CB -0.251 38.741 39.000 -0.012 0.000 1.008 459 F HN 0.191 nan 8.300 nan 0.000 0.480 460 I N -0.784 119.892 120.570 0.176 0.000 2.208 460 I HA -0.326 3.844 4.170 -0.000 0.000 0.245 460 I C 2.316 178.477 176.117 0.074 0.000 1.097 460 I CA 1.227 62.588 61.300 0.102 0.000 1.363 460 I CB -0.559 37.481 38.000 0.066 0.000 1.051 460 I HN 0.033 nan 8.210 nan 0.000 0.413 461 S N 0.876 116.614 115.700 0.065 0.000 2.383 461 S HA -0.157 4.313 4.470 -0.000 0.000 0.227 461 S C 1.927 176.564 174.600 0.062 0.000 1.026 461 S CA 1.076 59.320 58.200 0.073 0.000 0.981 461 S CB -0.404 62.845 63.200 0.082 0.000 0.818 461 S HN 0.345 nan 8.310 nan 0.000 0.472 462 L N 2.024 123.253 121.223 0.010 0.000 2.043 462 L HA -0.141 4.199 4.340 -0.000 0.000 0.212 462 L C 2.153 179.013 176.870 -0.016 0.000 1.075 462 L CA 1.924 56.733 54.840 -0.052 0.000 0.752 462 L CB -1.350 40.583 42.059 -0.211 0.000 0.891 462 L HN 0.185 nan 8.230 nan 0.000 0.432 463 T N -0.099 114.461 114.554 0.010 0.000 2.746 463 T HA -0.125 4.225 4.350 -0.000 0.000 0.267 463 T C 1.928 176.684 174.700 0.094 0.000 1.039 463 T CA 1.315 63.436 62.100 0.036 0.000 1.142 463 T CB -0.543 68.358 68.868 0.054 0.000 0.866 463 T HN 0.566 nan 8.240 nan 0.000 0.444 464 A N 0.982 123.881 122.820 0.131 0.000 1.902 464 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 464 A C 2.580 180.350 177.584 0.309 0.000 1.181 464 A CA 1.385 53.567 52.037 0.241 0.000 0.623 464 A CB -1.062 18.029 19.000 0.152 0.000 0.818 464 A HN 0.351 nan 8.150 nan 0.000 0.443 465 V N 0.218 120.243 119.914 0.186 0.000 2.287 465 V HA -0.360 3.760 4.120 -0.000 0.000 0.248 465 V C 2.687 178.823 176.094 0.069 0.000 1.053 465 V CA 2.396 64.774 62.300 0.129 0.000 1.027 465 V CB -0.768 31.096 31.823 0.068 0.000 0.646 465 V HN 0.608 nan 8.190 nan 0.000 0.447 466 M N -0.917 118.709 119.600 0.043 0.000 2.108 466 M HA -0.213 4.267 4.480 -0.000 0.000 0.261 466 M C 2.264 178.591 176.300 0.044 0.000 1.066 466 M CA 1.864 57.174 55.300 0.017 0.000 1.107 466 M CB -0.644 31.945 32.600 -0.018 0.000 1.356 466 M HN 0.331 nan 8.290 nan 0.000 0.406 467 L N 0.499 121.771 121.223 0.083 0.000 2.083 467 L HA -0.166 4.174 4.340 -0.000 0.000 0.209 467 L C 2.509 179.417 176.870 0.064 0.000 1.083 467 L CA 1.636 56.538 54.840 0.104 0.000 0.752 467 L CB -0.481 41.687 42.059 0.181 0.000 0.899 467 L HN 0.290 nan 8.230 nan 0.000 0.433 468 M N -1.814 117.756 119.600 -0.050 0.000 2.149 468 M HA -0.219 4.261 4.480 -0.000 0.000 0.261 468 M C 1.976 178.210 176.300 -0.110 0.000 1.064 468 M CA 1.835 56.981 55.300 -0.257 0.000 1.102 468 M CB -0.045 32.383 32.600 -0.286 0.000 1.369 468 M HN 0.182 nan 8.290 nan 0.000 0.408 469 V N 0.209 120.113 119.914 -0.017 0.000 2.453 469 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 469 V C 2.092 178.235 176.094 0.082 0.000 1.048 469 V CA 1.827 64.144 62.300 0.029 0.000 1.049 469 V CB -0.905 30.939 31.823 0.034 0.000 0.672 469 V HN 0.602 nan 8.190 nan 0.000 0.457 470 F N 0.713 120.626 119.950 -0.062 0.000 2.146 470 F HA -0.143 4.384 4.527 -0.000 0.000 0.298 470 F C 2.048 177.843 175.800 -0.009 0.000 1.096 470 F CA 1.568 59.543 58.000 -0.042 0.000 1.275 470 F CB -0.297 38.580 39.000 -0.204 0.000 1.008 470 F HN 0.072 nan 8.300 nan 0.000 0.480 471 I N 0.269 120.616 120.570 -0.372 0.000 2.226 471 I HA -0.311 3.859 4.170 -0.000 0.000 0.245 471 I C 2.377 178.273 176.117 -0.369 0.000 1.100 471 I CA 1.486 62.493 61.300 -0.489 0.000 1.374 471 I CB -0.464 37.410 38.000 -0.210 0.000 1.057 471 I HN 0.185 nan 8.210 nan 0.000 0.413 472 I N -0.471 119.982 120.570 -0.195 0.000 2.202 472 I HA -0.303 3.867 4.170 -0.000 0.000 0.242 472 I C 2.462 178.597 176.117 0.030 0.000 1.091 472 I CA 1.537 62.775 61.300 -0.104 0.000 1.368 472 I CB -0.457 37.604 38.000 0.101 0.000 1.058 472 I HN 0.409 nan 8.210 nan 0.000 0.410 473 W N 2.226 123.460 121.300 -0.110 0.000 2.338 473 W HA -0.233 4.427 4.660 -0.000 0.000 0.304 473 W C 2.471 178.893 176.519 -0.163 0.000 1.212 473 W CA 1.709 59.025 57.345 -0.048 0.000 1.264 473 W CB -0.169 29.238 29.460 -0.088 0.000 1.142 473 W HN 0.067 nan 8.180 nan 0.000 0.512 474 E N 0.724 120.613 120.200 -0.517 0.000 2.077 474 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 474 E C 2.146 178.400 176.600 -0.575 0.000 0.989 474 E CA 1.670 57.600 56.400 -0.783 0.000 0.800 474 E CB -0.573 28.669 29.700 -0.764 0.000 0.746 474 E HN 0.315 nan 8.360 nan 0.000 0.452 475 A N 0.360 122.929 122.820 -0.418 0.000 1.865 475 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 475 A C 2.183 179.537 177.584 -0.384 0.000 1.191 475 A CA 1.487 53.327 52.037 -0.330 0.000 0.623 475 A CB -1.139 17.666 19.000 -0.325 0.000 0.826 475 A HN 0.337 nan 8.150 nan 0.000 0.444 476 F N -0.182 119.614 119.950 -0.257 0.000 2.259 476 F HA -0.033 4.494 4.527 -0.000 0.000 0.298 476 F C 2.730 178.225 175.800 -0.508 0.000 1.088 476 F CA 0.599 58.400 58.000 -0.331 0.000 1.358 476 F CB -0.025 38.919 39.000 -0.093 0.000 1.040 476 F HN 0.289 nan 8.300 nan 0.000 0.505 477 A N -0.826 121.673 122.820 -0.534 0.000 1.930 477 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 477 A C 2.272 179.595 177.584 -0.436 0.000 1.175 477 A CA 1.984 53.630 52.037 -0.651 0.000 0.627 477 A CB -0.786 17.418 19.000 -1.327 0.000 0.815 477 A HN 0.278 nan 8.150 nan 0.000 0.443 478 S N -0.836 114.613 115.700 -0.417 0.000 2.425 478 S HA 0.056 4.526 4.470 -0.000 0.000 0.225 478 S C 0.358 174.808 174.600 -0.250 0.000 1.024 478 S CA 0.519 58.556 58.200 -0.271 0.000 0.951 478 S CB -0.122 62.953 63.200 -0.208 0.000 0.796 478 S HN 0.588 nan 8.310 nan 0.000 0.498 479 K N 1.410 121.560 120.400 -0.417 0.000 3.653 479 K HA -0.167 4.153 4.320 -0.000 0.000 0.275 479 K C -0.937 175.606 176.600 -0.095 0.000 0.962 479 K CA 0.285 56.257 56.287 -0.526 0.000 0.773 479 K CB -1.182 31.120 32.500 -0.330 0.000 1.463 479 K HN 0.366 nan 8.250 nan 0.000 0.450 480 R N 1.890 122.380 120.500 -0.016 0.000 2.248 480 R HA 0.112 4.452 4.340 -0.000 0.000 0.337 480 R C -0.031 176.393 176.300 0.208 0.000 1.085 480 R CA -0.171 55.981 56.100 0.087 0.000 0.934 480 R CB 0.529 30.861 30.300 0.053 0.000 1.034 480 R HN 0.276 nan 8.270 nan 0.000 0.465 481 E N 2.034 122.353 120.200 0.199 0.000 2.259 481 E HA 0.109 4.459 4.350 -0.000 0.000 0.281 481 E C -0.099 176.554 176.600 0.089 0.000 1.027 481 E CA -0.529 55.975 56.400 0.174 0.000 0.838 481 E CB 1.546 31.325 29.700 0.131 0.000 1.066 481 E HN 0.209 nan 8.360 nan 0.000 0.401 482 V N 4.573 124.520 119.914 0.055 0.000 2.901 482 V HA -0.104 4.016 4.120 -0.000 0.000 0.307 482 V C 1.112 177.229 176.094 0.038 0.000 1.084 482 V CA 0.835 63.162 62.300 0.045 0.000 1.184 482 V CB 0.488 32.340 31.823 0.048 0.000 0.941 482 V HN 0.729 nan 8.190 nan 0.000 0.493 483 L N 2.143 123.386 121.223 0.032 0.000 2.614 483 L HA 0.276 4.616 4.340 -0.000 0.000 0.185 483 L C 0.720 177.604 176.870 0.023 0.000 1.098 483 L CA 0.598 55.455 54.840 0.027 0.000 0.852 483 L CB 0.539 42.612 42.059 0.023 0.000 1.213 483 L HN 0.646 nan 8.230 nan 0.000 0.491 484 T N 0.152 114.711 114.554 0.008 0.000 2.893 484 T HA 0.607 4.957 4.350 -0.000 0.000 0.293 484 T C -1.047 173.626 174.700 -0.044 0.000 1.027 484 T CA -0.275 61.822 62.100 -0.005 0.000 0.988 484 T CB 2.887 71.750 68.868 -0.008 0.000 1.043 484 T HN -0.268 nan 8.240 nan 0.000 0.461 485 V N 2.854 122.727 119.914 -0.068 0.000 2.709 485 V HA 0.412 4.532 4.120 -0.000 0.000 0.308 485 V C -0.225 175.787 176.094 -0.136 0.000 1.062 485 V CA -0.978 61.213 62.300 -0.181 0.000 0.901 485 V CB 2.175 33.797 31.823 -0.334 0.000 1.003 485 V HN 0.867 nan 8.190 nan 0.000 0.425 486 D N 2.534 122.851 120.400 -0.138 0.000 2.383 486 D HA 0.467 5.107 4.640 -0.000 0.000 0.248 486 D C 0.746 176.949 176.300 -0.162 0.000 1.170 486 D CA -0.101 53.811 54.000 -0.148 0.000 0.977 486 D CB 1.292 41.958 40.800 -0.225 0.000 1.120 486 D HN 0.568 nan 8.370 nan 0.000 0.481 487 L N 0.265 121.393 121.223 -0.158 0.000 4.040 487 L HA -0.295 4.045 4.340 -0.000 0.000 0.410 487 L C 1.885 178.774 176.870 0.031 0.000 1.187 487 L CA 0.572 55.334 54.840 -0.130 0.000 0.956 487 L CB -2.495 39.352 42.059 -0.352 0.000 2.022 487 L HN 0.538 nan 8.230 nan 0.000 0.897 488 T N -5.051 109.537 114.554 0.058 0.000 2.977 488 T HA -0.171 4.179 4.350 -0.000 0.000 0.271 488 T C 1.614 176.409 174.700 0.159 0.000 1.105 488 T CA 1.582 63.777 62.100 0.157 0.000 1.116 488 T CB -0.449 68.509 68.868 0.151 0.000 0.878 488 T HN 0.610 nan 8.240 nan 0.000 0.509 489 T N 0.008 114.621 114.554 0.099 0.000 3.085 489 T HA 0.030 4.380 4.350 -0.000 0.000 0.263 489 T C 1.549 176.316 174.700 0.111 0.000 1.127 489 T CA 0.921 63.080 62.100 0.097 0.000 1.103 489 T CB -0.572 68.329 68.868 0.056 0.000 0.921 489 T HN 0.630 nan 8.240 nan 0.000 0.510 490 T N -0.691 113.937 114.554 0.124 0.000 3.296 490 T HA 0.362 4.712 4.350 -0.000 0.000 0.285 490 T C 0.025 174.871 174.700 0.242 0.000 1.014 490 T CA -0.819 61.367 62.100 0.145 0.000 0.920 490 T CB -0.193 68.728 68.868 0.087 0.000 1.143 490 T HN 0.246 nan 8.240 nan 0.000 0.522 491 N N 1.318 120.214 118.700 0.327 0.000 2.732 491 N HA 0.140 4.880 4.740 -0.000 0.000 0.235 491 N C 0.270 176.080 175.510 0.501 0.000 1.466 491 N CA -0.242 53.101 53.050 0.489 0.000 0.751 491 N CB 1.668 40.553 38.487 0.664 0.000 1.317 491 N HN 0.084 nan 8.380 nan 0.000 0.525 492 L N 1.965 123.418 121.223 0.384 0.000 2.261 492 L HA -0.119 4.221 4.340 -0.000 0.000 0.216 492 L C 2.383 179.479 176.870 0.376 0.000 1.114 492 L CA 1.961 57.009 54.840 0.347 0.000 0.777 492 L CB -0.104 42.121 42.059 0.277 0.000 0.910 492 L HN 0.400 nan 8.230 nan 0.000 0.440 493 E N -1.388 119.022 120.200 0.350 0.000 2.265 493 E HA -0.282 4.068 4.350 -0.000 0.000 0.196 493 E C 1.656 178.341 176.600 0.142 0.000 0.996 493 E CA 1.601 58.130 56.400 0.214 0.000 0.832 493 E CB -0.974 28.763 29.700 0.062 0.000 0.756 493 E HN 0.707 nan 8.360 nan 0.000 0.491 494 W N 0.337 121.774 121.300 0.229 0.000 3.139 494 W HA 0.199 4.859 4.660 -0.000 0.000 0.260 494 W C 1.732 178.324 176.519 0.122 0.000 1.312 494 W CA -0.478 56.956 57.345 0.149 0.000 1.606 494 W CB 0.081 29.611 29.460 0.118 0.000 1.118 494 W HN 0.084 nan 8.180 nan 0.000 0.675 495 L N 0.880 122.306 121.223 0.339 0.000 2.395 495 L HA 0.069 4.409 4.340 -0.000 0.000 0.218 495 L C 1.326 178.276 176.870 0.133 0.000 1.130 495 L CA 1.499 56.480 54.840 0.235 0.000 0.826 495 L CB -0.520 41.682 42.059 0.239 0.000 0.941 495 L HN -0.038 nan 8.230 nan 0.000 0.451 496 N N 0.483 119.239 118.700 0.093 0.000 2.370 496 N HA 0.188 4.928 4.740 -0.000 0.000 0.198 496 N C 0.689 176.227 175.510 0.047 0.000 1.156 496 N CA 0.798 53.849 53.050 0.003 0.000 0.839 496 N CB 0.277 38.701 38.487 -0.105 0.000 0.989 496 N HN 0.395 nan 8.380 nan 0.000 0.468 497 G N 0.165 109.027 108.800 0.103 0.000 2.712 497 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.683 497 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.683 497 G C -0.973 173.984 174.900 0.095 0.000 1.320 497 G CA -0.840 44.318 45.100 0.096 0.000 0.847 497 G HN 0.276 nan 8.290 nan 0.000 0.553 498 C N 2.685 122.023 119.300 0.065 0.000 2.356 498 C HA 0.675 5.135 4.460 -0.000 0.000 0.324 498 C C -1.562 173.399 174.990 -0.048 0.000 1.167 498 C CA -0.757 58.270 59.018 0.014 0.000 1.420 498 C CB 1.098 28.866 27.740 0.047 0.000 2.036 498 C HN 0.783 nan 8.230 nan 0.000 0.435 499 P HA 0.385 nan 4.420 nan 0.000 0.281 499 P C -2.625 174.724 177.300 0.082 0.000 1.249 499 P CA -1.270 61.853 63.100 0.038 0.000 0.810 499 P CB 0.516 32.269 31.700 0.089 0.000 1.008 500 P HA 0.222 nan 4.420 nan 0.000 0.272 500 P C -2.354 174.978 177.300 0.053 0.000 1.240 500 P CA -1.303 61.849 63.100 0.088 0.000 0.791 500 P CB -1.214 30.558 31.700 0.120 0.000 0.978 501 P HA 0.026 nan 4.420 nan 0.000 0.273 501 P C 0.768 178.069 177.300 0.000 0.000 1.250 501 P CA -0.112 63.002 63.100 0.024 0.000 0.793 501 P CB 0.296 32.012 31.700 0.026 0.000 1.011 502 Y N 0.127 120.330 120.300 -0.161 0.000 2.114 502 Y HA -0.218 4.332 4.550 -0.000 0.000 0.282 502 Y C 1.132 176.830 175.900 -0.336 0.000 1.165 502 Y CA 1.726 59.643 58.100 -0.306 0.000 1.148 502 Y CB -0.062 38.168 38.460 -0.384 0.000 0.972 502 Y HN 0.292 nan 8.280 nan 0.000 0.504 503 H N 0.653 119.764 119.070 0.068 0.000 2.597 503 H HA 0.292 4.848 4.556 -0.000 0.000 0.303 503 H C -0.029 175.291 175.328 -0.012 0.000 1.057 503 H CA 0.144 56.198 56.048 0.010 0.000 1.261 503 H CB 0.746 30.546 29.762 0.063 0.000 1.397 503 H HN 0.148 nan 8.280 nan 0.000 0.461 504 T N -1.084 113.535 114.554 0.108 0.000 2.950 504 T HA 0.365 4.715 4.350 -0.000 0.000 0.288 504 T C 0.186 174.932 174.700 0.077 0.000 1.035 504 T CA -0.829 61.245 62.100 -0.044 0.000 1.028 504 T CB 1.271 70.055 68.868 -0.139 0.000 1.109 504 T HN 0.426 nan 8.240 nan 0.000 0.514 505 F N -0.440 119.547 119.950 0.061 0.000 3.091 505 F HA -0.201 4.326 4.527 -0.000 0.000 0.288 505 F C 1.287 177.099 175.800 0.021 0.000 0.907 505 F CA 0.447 58.470 58.000 0.038 0.000 1.028 505 F CB -2.457 36.556 39.000 0.021 0.000 1.022 505 F HN 0.799 nan 8.300 nan 0.000 0.665 506 E N 0.241 120.494 120.200 0.088 0.000 2.153 506 E HA -0.185 4.165 4.350 -0.000 0.000 0.194 506 E C 1.115 177.746 176.600 0.052 0.000 0.988 506 E CA 1.327 57.754 56.400 0.045 0.000 0.811 506 E CB 0.075 29.775 29.700 0.001 0.000 0.746 506 E HN 0.634 nan 8.360 nan 0.000 0.466 507 E N 1.782 122.023 120.200 0.068 0.000 2.113 507 E HA 0.152 4.502 4.350 -0.000 0.000 0.273 507 E C -2.385 174.306 176.600 0.153 0.000 0.924 507 E CA -2.704 53.746 56.400 0.083 0.000 0.764 507 E CB 0.971 30.708 29.700 0.062 0.000 1.104 507 E HN -0.159 nan 8.360 nan 0.000 0.406 508 P HA -0.014 nan 4.420 nan 0.000 0.270 508 P C -0.118 177.308 177.300 0.210 0.000 1.223 508 P CA -0.308 62.901 63.100 0.181 0.000 0.785 508 P CB 0.544 32.291 31.700 0.078 0.000 0.923 509 T N -0.620 114.075 114.554 0.235 0.000 2.855 509 T HA 0.033 4.383 4.350 -0.000 0.000 0.322 509 T C -0.359 174.450 174.700 0.181 0.000 1.088 509 T CA -0.082 62.150 62.100 0.221 0.000 1.104 509 T CB -0.065 68.909 68.868 0.177 0.000 0.996 509 T HN 0.409 nan 8.240 nan 0.000 0.549 510 Y N 1.452 121.793 120.300 0.069 0.000 2.331 510 Y HA 0.568 5.118 4.550 -0.000 0.000 0.338 510 Y C -1.298 174.625 175.900 0.038 0.000 0.976 510 Y CA -1.252 56.875 58.100 0.045 0.000 1.137 510 Y CB 1.039 39.525 38.460 0.043 0.000 1.172 510 Y HN 0.601 nan 8.280 nan 0.000 0.478 511 V N 6.688 126.390 119.914 -0.354 0.000 2.524 511 V HA 0.272 4.392 4.120 -0.000 0.000 0.297 511 V C -0.650 175.204 176.094 -0.401 0.000 1.035 511 V CA -1.190 60.970 62.300 -0.233 0.000 0.867 511 V CB 1.582 33.350 31.823 -0.092 0.000 1.004 511 V HN 0.873 nan 8.190 nan 0.000 0.426 512 N N 2.848 121.370 118.700 -0.297 0.000 2.503 512 N HA 0.337 5.077 4.740 -0.000 0.000 0.267 512 N C 0.723 176.171 175.510 -0.103 0.000 1.214 512 N CA -0.559 52.373 53.050 -0.198 0.000 0.959 512 N CB 1.291 39.780 38.487 0.003 0.000 1.142 512 N HN 0.576 nan 8.380 nan 0.000 0.455 513 L N 1.532 122.707 121.223 -0.079 0.000 2.168 513 L HA 0.158 4.498 4.340 -0.000 0.000 0.203 513 L C 0.445 177.307 176.870 -0.015 0.000 1.078 513 L CA 1.141 55.955 54.840 -0.043 0.000 0.780 513 L CB -0.233 41.803 42.059 -0.039 0.000 0.939 513 L HN 0.730 nan 8.230 nan 0.000 0.451 514 K N 0.000 120.397 120.400 -0.004 0.000 2.780 514 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 514 K CA 0.000 56.294 56.287 0.011 0.000 0.838 514 K CB 0.000 32.509 32.500 0.015 0.000 1.064 514 K HN 0.000 nan 8.250 nan 0.000 0.543