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 1ujw_1_A DATA FIRST_RESID 4 DATA SEQUENCE SPDTLVVTAN RFEQPRSTVL APTTVVTRQD IDRWQSTSVN DVLRRLPGVD DATA SEQUENCE ITQNGGSGQL SSIFIRGTNA SHVLVLIDGV RLNLAGVSGS ADLSQFPIAL DATA SEQUENCE VQRVEYIRGP RSAVYGSDAI GGVVNIITTR DEPGTEISAG WGSNSYQNYD DATA SEQUENCE VSTQQQLGDK TRVTLLGDYA HTHGXXXXXX XXXXXXXXXD NDGFLSKTLY DATA SEQUENCE GALEHNFTDA WSGFVRGYGY DNRTNYDAYY SPGSPLLDTR KLYSQSWDAG DATA SEQUENCE LRYNGELIKS QLITSYSHSK DYNYDPHYGR YDSSATLDEM KQYTVQWANN DATA SEQUENCE VIVGHGSIGA GVDWQKQTTT PGTGYVEDGY DQRNTGIYLT GLQQVGDFTF DATA SEQUENCE EGAARSDDNS QFGRHGTWQT SAGWEFIEGY RFIASYGTSY KAPNLGQLYG DATA SEQUENCE FYGNPNLDPE KSKQWEGAFE GLTAGVNWRI SGYRNDVSDL IDYDDHTLKY DATA SEQUENCE YNEGKARIKG VEATANFDTG PLTHTVSYDY VDARNAITDT PLLRRAKQQV DATA SEQUENCE KYQLDWQLYD FDWGITYQYL GTRYDKDYSS YPYQTVKMGG VSLWDLAVAY DATA SEQUENCE PVTSHLTVRG KIANLFDKDY ETVYGYQTAG REYTLSGSYT F 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.594 174.600 -0.010 0.000 1.055 4 S CA 0.000 58.202 58.200 0.004 0.000 1.107 4 S CB 0.000 63.204 63.200 0.006 0.000 0.593 5 P HA 0.516 nan 4.420 nan 0.000 0.282 5 P C 0.067 177.348 177.300 -0.032 0.000 1.259 5 P CA 0.213 63.294 63.100 -0.031 0.000 0.826 5 P CB 0.613 32.284 31.700 -0.048 0.000 1.064 6 D N -1.300 119.080 120.400 -0.034 0.000 3.012 6 D HA -0.122 4.519 4.640 0.001 0.000 0.222 6 D C -0.288 176.001 176.300 -0.019 0.000 1.167 6 D CA 1.495 55.478 54.000 -0.028 0.000 0.854 6 D CB -1.102 39.679 40.800 -0.032 0.000 1.107 6 D HN 0.658 nan 8.370 nan 0.000 0.421 7 T N -2.000 112.544 114.554 -0.017 0.000 2.940 7 T HA 0.674 5.024 4.350 0.001 0.000 0.288 7 T C 0.736 175.431 174.700 -0.009 0.000 1.033 7 T CA -0.948 61.145 62.100 -0.013 0.000 1.033 7 T CB 1.851 70.709 68.868 -0.016 0.000 1.079 7 T HN 0.116 nan 8.240 nan 0.000 0.496 8 L N 2.221 123.441 121.223 -0.005 0.000 2.418 8 L HA 0.674 5.014 4.340 0.001 0.000 0.265 8 L C 0.259 177.132 176.870 0.005 0.000 1.143 8 L CA -0.833 54.010 54.840 0.004 0.000 0.809 8 L CB 1.242 43.306 42.059 0.008 0.000 1.124 8 L HN 0.739 nan 8.230 nan 0.000 0.456 9 V N -0.047 119.877 119.914 0.016 0.000 3.130 9 V HA 0.565 4.686 4.120 0.001 0.000 0.310 9 V C 0.021 176.138 176.094 0.037 0.000 1.158 9 V CA -0.484 61.828 62.300 0.020 0.000 1.029 9 V CB 1.949 33.783 31.823 0.018 0.000 1.057 9 V HN 0.545 nan 8.190 nan 0.000 0.436 10 V N -2.816 117.119 119.914 0.034 0.000 3.432 10 V HA 0.258 4.378 4.120 0.001 0.000 0.298 10 V C 1.255 177.391 176.094 0.070 0.000 1.464 10 V CA 1.140 63.466 62.300 0.042 0.000 1.046 10 V CB -0.206 31.620 31.823 0.004 0.000 0.887 10 V HN 0.904 nan 8.190 nan 0.000 0.441 11 T N 0.979 115.581 114.554 0.079 0.000 3.067 11 T HA 0.320 4.671 4.350 0.001 0.000 0.257 11 T C 2.017 176.844 174.700 0.212 0.000 1.105 11 T CA 1.372 63.555 62.100 0.139 0.000 1.104 11 T CB 0.362 69.270 68.868 0.067 0.000 0.925 11 T HN 0.667 nan 8.240 nan 0.000 0.498 12 A N 3.090 125.984 122.820 0.123 0.000 1.854 12 A HA -0.046 4.275 4.320 0.001 0.000 0.214 12 A C 1.749 179.358 177.584 0.043 0.000 1.192 12 A CA 1.512 53.606 52.037 0.095 0.000 0.611 12 A CB -0.470 18.565 19.000 0.058 0.000 0.832 12 A HN 0.736 nan 8.150 nan 0.000 0.442 13 N N -3.742 114.994 118.700 0.061 0.000 2.194 13 N HA 0.330 5.070 4.740 0.001 0.000 0.231 13 N C 0.503 176.100 175.510 0.145 0.000 1.247 13 N CA 0.018 53.107 53.050 0.065 0.000 0.884 13 N CB 0.649 39.218 38.487 0.136 0.000 1.146 13 N HN 0.340 nan 8.380 nan 0.000 0.516 14 R N -1.711 118.832 120.500 0.073 0.000 3.606 14 R HA -0.168 4.173 4.340 0.001 0.000 0.439 14 R C -1.055 175.139 176.300 -0.177 0.000 0.585 14 R CA 1.416 57.503 56.100 -0.022 0.000 1.521 14 R CB -1.319 28.946 30.300 -0.058 0.000 2.112 14 R HN 0.219 nan 8.270 nan 0.000 0.375 15 F N 0.793 120.788 119.950 0.075 0.000 2.575 15 F HA 0.333 4.860 4.527 0.001 0.000 0.330 15 F C 0.758 176.588 175.800 0.051 0.000 1.056 15 F CA -0.894 57.147 58.000 0.068 0.000 0.964 15 F CB 1.074 40.113 39.000 0.065 0.000 1.258 15 F HN -0.113 nan 8.300 nan 0.000 0.484 16 E N 1.988 122.330 120.200 0.236 0.000 2.417 16 E HA 0.129 4.479 4.350 0.001 0.000 0.261 16 E C -0.809 175.865 176.600 0.123 0.000 1.000 16 E CA 0.070 56.550 56.400 0.133 0.000 0.919 16 E CB 0.423 30.187 29.700 0.106 0.000 0.955 16 E HN 0.614 nan 8.360 nan 0.000 0.455 17 Q N 3.579 123.429 119.800 0.084 0.000 2.426 17 Q HA 0.454 4.794 4.340 0.001 0.000 0.278 17 Q C -2.869 173.154 176.000 0.038 0.000 1.007 17 Q CA -2.308 53.534 55.803 0.065 0.000 0.850 17 Q CB 2.075 30.858 28.738 0.075 0.000 1.427 17 Q HN 0.209 nan 8.270 nan 0.000 0.391 18 P HA 0.041 nan 4.420 nan 0.000 0.268 18 P C -0.078 177.223 177.300 0.002 0.000 1.205 18 P CA -0.188 62.918 63.100 0.010 0.000 0.771 18 P CB 0.775 32.478 31.700 0.005 0.000 0.858 19 R N 2.629 123.125 120.500 -0.007 0.000 2.105 19 R HA -0.174 4.167 4.340 0.001 0.000 0.239 19 R C 1.575 177.857 176.300 -0.031 0.000 1.135 19 R CA 2.442 58.532 56.100 -0.017 0.000 0.967 19 R CB -1.142 29.145 30.300 -0.023 0.000 0.861 19 R HN 0.365 nan 8.270 nan 0.000 0.442 20 S N -0.097 115.580 115.700 -0.038 0.000 2.389 20 S HA -0.265 4.206 4.470 0.001 0.000 0.229 20 S C 1.952 176.526 174.600 -0.044 0.000 1.048 20 S CA 2.068 60.236 58.200 -0.053 0.000 1.117 20 S CB -1.111 62.056 63.200 -0.055 0.000 1.020 20 S HN 0.543 nan 8.310 nan 0.000 0.430 21 T N 1.588 116.128 114.554 -0.022 0.000 2.969 21 T HA -0.040 4.311 4.350 0.001 0.000 0.271 21 T C 0.364 175.061 174.700 -0.004 0.000 1.127 21 T CA 0.428 62.524 62.100 -0.007 0.000 1.102 21 T CB -0.440 68.438 68.868 0.016 0.000 0.855 21 T HN 0.108 nan 8.240 nan 0.000 0.536 22 V N 2.660 122.567 119.914 -0.012 0.000 2.385 22 V HA 0.232 4.353 4.120 0.001 0.000 0.269 22 V C 1.222 177.297 176.094 -0.032 0.000 1.043 22 V CA -0.157 62.136 62.300 -0.011 0.000 0.906 22 V CB 1.328 33.144 31.823 -0.011 0.000 0.995 22 V HN 0.375 nan 8.190 nan 0.000 0.467 23 L N 3.854 125.060 121.223 -0.029 0.000 2.131 23 L HA 0.172 4.513 4.340 0.001 0.000 0.206 23 L C 1.651 178.485 176.870 -0.060 0.000 1.087 23 L CA 0.726 55.536 54.840 -0.051 0.000 0.767 23 L CB -0.180 41.852 42.059 -0.045 0.000 0.917 23 L HN 0.748 nan 8.230 nan 0.000 0.441 24 A N 1.221 124.011 122.820 -0.051 0.000 2.425 24 A HA 0.292 4.613 4.320 0.001 0.000 0.242 24 A C -2.167 175.364 177.584 -0.088 0.000 1.077 24 A CA -0.923 51.072 52.037 -0.069 0.000 0.781 24 A CB -0.552 18.408 19.000 -0.067 0.000 1.020 24 A HN -0.017 nan 8.150 nan 0.000 0.494 25 P HA 0.247 nan 4.420 nan 0.000 0.276 25 P C -0.424 176.769 177.300 -0.179 0.000 1.235 25 P CA 0.220 63.248 63.100 -0.121 0.000 0.772 25 P CB 0.935 32.566 31.700 -0.114 0.000 0.871 26 T N -0.176 114.292 114.554 -0.144 0.000 2.848 26 T HA 0.485 4.836 4.350 0.001 0.000 0.285 26 T C -0.354 174.281 174.700 -0.108 0.000 0.995 26 T CA -0.484 61.522 62.100 -0.158 0.000 0.970 26 T CB 0.840 69.656 68.868 -0.087 0.000 0.976 26 T HN 0.167 nan 8.240 nan 0.000 0.441 27 T N 2.687 117.177 114.554 -0.106 0.000 2.902 27 T HA 0.668 5.019 4.350 0.001 0.000 0.283 27 T C -0.599 174.139 174.700 0.062 0.000 1.009 27 T CA -0.573 61.539 62.100 0.020 0.000 1.051 27 T CB 1.405 70.337 68.868 0.107 0.000 0.999 27 T HN 0.677 nan 8.240 nan 0.000 0.474 28 V N 2.891 122.842 119.914 0.062 0.000 2.638 28 V HA 0.494 4.614 4.120 0.001 0.000 0.306 28 V C -0.484 175.639 176.094 0.047 0.000 1.052 28 V CA -0.739 61.589 62.300 0.047 0.000 0.885 28 V CB 2.041 33.872 31.823 0.012 0.000 0.999 28 V HN 0.678 nan 8.190 nan 0.000 0.424 29 V N 4.031 123.963 119.914 0.031 0.000 2.513 29 V HA 0.645 4.766 4.120 0.001 0.000 0.299 29 V C 0.394 176.429 176.094 -0.098 0.000 1.035 29 V CA -0.351 61.935 62.300 -0.023 0.000 0.889 29 V CB 2.247 34.083 31.823 0.021 0.000 0.988 29 V HN 1.038 nan 8.190 nan 0.000 0.440 30 T N 1.858 116.307 114.554 -0.175 0.000 2.952 30 T HA 0.447 4.797 4.350 0.001 0.000 0.286 30 T C 0.977 175.538 174.700 -0.231 0.000 1.024 30 T CA -0.770 61.225 62.100 -0.174 0.000 1.029 30 T CB 1.785 70.563 68.868 -0.150 0.000 1.094 30 T HN 0.355 nan 8.240 nan 0.000 0.515 31 R N 0.318 120.710 120.500 -0.180 0.000 2.096 31 R HA -0.128 4.212 4.340 0.001 0.000 0.235 31 R C 2.420 178.592 176.300 -0.214 0.000 1.127 31 R CA 1.828 57.820 56.100 -0.180 0.000 0.968 31 R CB -0.819 29.396 30.300 -0.141 0.000 0.861 31 R HN 0.965 nan 8.270 nan 0.000 0.440 32 Q N 0.627 120.303 119.800 -0.206 0.000 2.002 32 Q HA -0.192 4.149 4.340 0.001 0.000 0.204 32 Q C 1.242 177.035 176.000 -0.346 0.000 0.988 32 Q CA 2.058 57.730 55.803 -0.219 0.000 0.843 32 Q CB -0.183 28.454 28.738 -0.169 0.000 0.908 32 Q HN 0.179 nan 8.270 nan 0.000 0.420 33 D N 0.775 120.894 120.400 -0.468 0.000 2.133 33 D HA -0.208 4.433 4.640 0.001 0.000 0.192 33 D C 2.034 177.584 176.300 -1.251 0.000 1.001 33 D CA 1.700 55.141 54.000 -0.931 0.000 0.844 33 D CB -0.278 39.882 40.800 -1.066 0.000 0.944 33 D HN 0.412 nan 8.370 nan 0.000 0.447 34 I N 1.132 121.242 120.570 -0.767 0.000 2.264 34 I HA -0.232 3.939 4.170 0.001 0.000 0.248 34 I C 1.720 177.681 176.117 -0.259 0.000 1.111 34 I CA 1.181 62.221 61.300 -0.433 0.000 1.382 34 I CB -0.621 37.247 38.000 -0.220 0.000 1.060 34 I HN -0.087 nan 8.210 nan 0.000 0.418 35 D N 0.948 121.196 120.400 -0.255 0.000 2.144 35 D HA -0.112 4.528 4.640 0.001 0.000 0.200 35 D C 2.362 178.586 176.300 -0.127 0.000 0.978 35 D CA 0.983 54.891 54.000 -0.153 0.000 0.833 35 D CB -0.159 40.555 40.800 -0.143 0.000 0.961 35 D HN 0.352 nan 8.370 nan 0.000 0.470 36 R N -0.305 120.077 120.500 -0.197 0.000 2.115 36 R HA -0.052 4.289 4.340 0.001 0.000 0.226 36 R C 1.779 178.140 176.300 0.100 0.000 1.100 36 R CA 0.635 56.681 56.100 -0.091 0.000 0.980 36 R CB -0.123 30.102 30.300 -0.125 0.000 0.875 36 R HN 0.284 nan 8.270 nan 0.000 0.445 37 W N 0.884 122.149 121.300 -0.058 0.000 2.770 37 W HA 0.121 4.782 4.660 0.001 0.000 0.256 37 W C 0.631 177.111 176.519 -0.065 0.000 1.291 37 W CA -0.259 57.053 57.345 -0.055 0.000 1.396 37 W CB -0.469 28.963 29.460 -0.048 0.000 1.114 37 W HN 0.202 nan 8.180 nan 0.000 0.637 38 Q N 0.136 119.999 119.800 0.106 0.000 2.475 38 Q HA -0.171 4.169 4.340 0.001 0.000 0.280 38 Q C 0.015 176.025 176.000 0.018 0.000 1.234 38 Q CA 0.518 56.336 55.803 0.025 0.000 0.873 38 Q CB -1.468 27.267 28.738 -0.006 0.000 1.256 38 Q HN -0.008 nan 8.270 nan 0.000 0.475 39 S N -0.304 115.438 115.700 0.070 0.000 2.564 39 S HA 0.199 4.670 4.470 0.001 0.000 0.278 39 S C 1.179 175.774 174.600 -0.009 0.000 1.333 39 S CA 0.197 58.427 58.200 0.049 0.000 1.048 39 S CB 1.177 64.453 63.200 0.126 0.000 0.900 39 S HN 0.386 nan 8.310 nan 0.000 0.505 40 T N -1.703 112.819 114.554 -0.053 0.000 3.085 40 T HA 0.344 4.694 4.350 0.001 0.000 0.264 40 T C 0.367 175.066 174.700 -0.001 0.000 1.019 40 T CA -0.172 61.889 62.100 -0.066 0.000 0.910 40 T CB -0.263 68.455 68.868 -0.250 0.000 1.059 40 T HN 0.668 nan 8.240 nan 0.000 0.542 41 S N -0.691 115.010 115.700 0.002 0.000 2.615 41 S HA 0.520 4.991 4.470 0.001 0.000 0.269 41 S C 0.608 175.216 174.600 0.014 0.000 1.161 41 S CA -0.591 57.619 58.200 0.017 0.000 0.817 41 S CB 1.308 64.502 63.200 -0.010 0.000 1.131 41 S HN -0.136 nan 8.310 nan 0.000 0.467 42 V N 1.628 121.557 119.914 0.024 0.000 2.515 42 V HA -0.100 4.021 4.120 0.001 0.000 0.250 42 V C 2.314 178.387 176.094 -0.036 0.000 1.058 42 V CA 2.033 64.340 62.300 0.010 0.000 1.064 42 V CB -1.295 30.546 31.823 0.030 0.000 0.675 42 V HN 0.831 nan 8.190 nan 0.000 0.461 43 N N 0.676 119.341 118.700 -0.058 0.000 2.120 43 N HA -0.191 4.550 4.740 0.001 0.000 0.188 43 N C 1.629 177.093 175.510 -0.077 0.000 1.024 43 N CA 1.743 54.737 53.050 -0.093 0.000 0.852 43 N CB -0.517 37.900 38.487 -0.116 0.000 1.003 43 N HN 0.563 nan 8.380 nan 0.000 0.424 44 D N -0.485 119.884 120.400 -0.053 0.000 2.311 44 D HA -0.063 4.578 4.640 0.001 0.000 0.212 44 D C 1.497 177.793 176.300 -0.008 0.000 0.972 44 D CA 0.423 54.398 54.000 -0.042 0.000 0.887 44 D CB 0.286 41.069 40.800 -0.028 0.000 0.915 44 D HN 0.026 nan 8.370 nan 0.000 0.497 45 V N -0.221 119.713 119.914 0.034 0.000 2.426 45 V HA -0.071 4.050 4.120 0.001 0.000 0.242 45 V C 2.424 178.537 176.094 0.032 0.000 1.036 45 V CA 0.766 63.142 62.300 0.126 0.000 1.044 45 V CB -0.293 31.617 31.823 0.145 0.000 0.688 45 V HN 0.247 nan 8.190 nan 0.000 0.462 46 L N 0.156 121.347 121.223 -0.055 0.000 2.027 46 L HA -0.102 4.238 4.340 0.001 0.000 0.206 46 L C 2.724 179.516 176.870 -0.131 0.000 1.074 46 L CA 1.560 56.321 54.840 -0.132 0.000 0.745 46 L CB -0.857 41.081 42.059 -0.203 0.000 0.898 46 L HN 0.275 nan 8.230 nan 0.000 0.433 47 R N 1.459 121.884 120.500 -0.125 0.000 2.257 47 R HA -0.247 4.093 4.340 0.001 0.000 0.265 47 R C 1.876 178.100 176.300 -0.127 0.000 1.191 47 R CA 1.812 57.839 56.100 -0.121 0.000 1.010 47 R CB -0.349 29.880 30.300 -0.118 0.000 0.883 47 R HN 0.441 nan 8.270 nan 0.000 0.473 48 R N -0.008 120.401 120.500 -0.152 0.000 2.276 48 R HA 0.216 4.557 4.340 0.001 0.000 0.196 48 R C 0.349 176.578 176.300 -0.117 0.000 0.961 48 R CA 0.198 56.169 56.100 -0.215 0.000 1.024 48 R CB 0.193 30.230 30.300 -0.438 0.000 0.940 48 R HN 0.170 nan 8.270 nan 0.000 0.480 49 L N 2.673 123.875 121.223 -0.034 0.000 2.325 49 L HA 0.430 4.771 4.340 0.001 0.000 0.278 49 L C -2.175 174.771 176.870 0.125 0.000 1.023 49 L CA -2.685 52.200 54.840 0.076 0.000 0.811 49 L CB 1.331 43.486 42.059 0.161 0.000 1.249 49 L HN -0.238 nan 8.230 nan 0.000 0.431 50 P HA -0.063 nan 4.420 nan 0.000 0.265 50 P C 0.712 178.104 177.300 0.153 0.000 1.187 50 P CA 0.647 63.817 63.100 0.118 0.000 0.766 50 P CB 0.647 32.399 31.700 0.087 0.000 0.820 51 G N 1.401 110.265 108.800 0.106 0.000 2.258 51 G HA2 -0.205 3.756 3.960 0.001 0.000 0.274 51 G HA3 -0.205 3.756 3.960 0.001 0.000 0.274 51 G C -0.075 174.890 174.900 0.107 0.000 1.021 51 G CA 0.001 45.162 45.100 0.102 0.000 0.798 51 G HN 0.540 nan 8.290 nan 0.000 0.507 52 V N 0.531 120.487 119.914 0.071 0.000 2.357 52 V HA 0.533 4.654 4.120 0.001 0.000 0.284 52 V C -0.495 175.591 176.094 -0.014 0.000 1.018 52 V CA -0.701 61.602 62.300 0.004 0.000 0.841 52 V CB 1.885 33.656 31.823 -0.088 0.000 0.991 52 V HN 0.310 nan 8.190 nan 0.000 0.437 53 D N 5.169 125.573 120.400 0.007 0.000 2.453 53 D HA 0.465 5.106 4.640 0.001 0.000 0.238 53 D C -0.644 175.610 176.300 -0.076 0.000 1.088 53 D CA -0.203 53.802 54.000 0.008 0.000 0.854 53 D CB 0.950 41.813 40.800 0.106 0.000 1.076 53 D HN 0.351 nan 8.370 nan 0.000 0.533 54 I N 2.588 123.077 120.570 -0.136 0.000 2.441 54 I HA 0.325 4.495 4.170 0.001 0.000 0.295 54 I C 0.539 176.508 176.117 -0.245 0.000 0.994 54 I CA -0.666 60.496 61.300 -0.231 0.000 1.144 54 I CB 2.053 39.938 38.000 -0.192 0.000 1.314 54 I HN 0.346 nan 8.210 nan 0.000 0.445 55 T N 3.091 117.439 114.554 -0.342 0.000 2.887 55 T HA 0.641 4.992 4.350 0.001 0.000 0.288 55 T C -0.836 173.690 174.700 -0.290 0.000 1.021 55 T CA -0.653 61.270 62.100 -0.294 0.000 1.000 55 T CB 2.659 71.345 68.868 -0.303 0.000 1.034 55 T HN 0.691 nan 8.240 nan 0.000 0.467 56 Q N 1.068 120.706 119.800 -0.270 0.000 2.353 56 Q HA 0.368 4.708 4.340 0.001 0.000 0.275 56 Q C -1.274 174.528 176.000 -0.331 0.000 1.029 56 Q CA -0.786 54.849 55.803 -0.279 0.000 0.848 56 Q CB 1.585 30.183 28.738 -0.233 0.000 1.390 56 Q HN 0.685 nan 8.270 nan 0.000 0.401 57 N N 1.976 120.425 118.700 -0.419 0.000 3.250 57 N HA 0.327 5.068 4.740 0.001 0.000 0.307 57 N C 0.001 175.345 175.510 -0.277 0.000 1.355 57 N CA 1.048 53.682 53.050 -0.692 0.000 1.192 57 N CB 0.804 38.712 38.487 -0.965 0.000 1.478 57 N HN 0.823 nan 8.380 nan 0.000 0.543 58 G N -1.140 107.577 108.800 -0.138 0.000 2.456 58 G HA2 -0.039 3.922 3.960 0.001 0.000 0.204 58 G HA3 -0.039 3.922 3.960 0.001 0.000 0.204 58 G C 0.007 174.855 174.900 -0.088 0.000 1.193 58 G CA -0.408 44.671 45.100 -0.036 0.000 1.220 58 G HN 0.552 nan 8.290 nan 0.000 0.565 59 G N -0.607 108.156 108.800 -0.063 0.000 2.857 59 G HA2 0.631 4.592 3.960 0.001 0.000 0.217 59 G HA3 0.631 4.592 3.960 0.001 0.000 0.217 59 G C 0.476 175.299 174.900 -0.129 0.000 1.357 59 G CA 0.902 45.958 45.100 -0.074 0.000 1.033 59 G HN 1.494 nan 8.290 nan 0.000 0.571 60 S N -0.911 114.720 115.700 -0.116 0.000 2.554 60 S HA 0.326 4.797 4.470 0.001 0.000 0.290 60 S C 1.637 175.910 174.600 -0.545 0.000 1.309 60 S CA 1.345 59.406 58.200 -0.232 0.000 1.047 60 S CB 0.499 63.686 63.200 -0.021 0.000 0.828 60 S HN 2.028 nan 8.310 nan 0.000 0.509 61 G N 1.499 109.646 108.800 -1.089 0.000 2.377 61 G HA2 -0.252 3.709 3.960 0.001 0.000 0.250 61 G HA3 -0.252 3.709 3.960 0.001 0.000 0.250 61 G C 0.061 174.640 174.900 -0.535 0.000 1.039 61 G CA 0.222 44.475 45.100 -1.412 0.000 0.625 61 G HN 0.621 nan 8.290 nan 0.000 0.526 62 Q N 0.290 119.882 119.800 -0.346 0.000 2.373 62 Q HA 0.490 4.831 4.340 0.001 0.000 0.255 62 Q C 1.073 176.926 176.000 -0.244 0.000 0.980 62 Q CA -0.559 55.107 55.803 -0.227 0.000 0.882 62 Q CB 0.888 29.526 28.738 -0.167 0.000 1.249 62 Q HN 0.525 nan 8.270 nan 0.000 0.438 63 L N 2.144 123.224 121.223 -0.239 0.000 2.653 63 L HA -0.139 4.202 4.340 0.001 0.000 0.288 63 L C 0.260 176.983 176.870 -0.246 0.000 1.243 63 L CA 0.802 55.503 54.840 -0.232 0.000 0.906 63 L CB 0.083 41.998 42.059 -0.240 0.000 1.154 63 L HN 0.798 nan 8.230 nan 0.000 0.498 64 S N 1.889 117.457 115.700 -0.220 0.000 2.570 64 S HA 0.823 5.293 4.470 0.001 0.000 0.270 64 S C -0.868 173.583 174.600 -0.247 0.000 1.149 64 S CA -0.439 57.616 58.200 -0.243 0.000 0.837 64 S CB 2.163 65.226 63.200 -0.229 0.000 1.124 64 S HN 0.615 nan 8.310 nan 0.000 0.465 65 S N 0.866 116.370 115.700 -0.327 0.000 2.575 65 S HA 0.712 5.182 4.470 0.001 0.000 0.278 65 S C -1.000 173.282 174.600 -0.531 0.000 1.139 65 S CA -0.829 57.132 58.200 -0.398 0.000 0.954 65 S CB 0.492 63.425 63.200 -0.445 0.000 1.054 65 S HN 0.755 nan 8.310 nan 0.000 0.483 66 I N 2.645 122.986 120.570 -0.382 0.000 2.385 66 I HA 0.427 4.598 4.170 0.001 0.000 0.294 66 I C -0.837 175.157 176.117 -0.204 0.000 0.988 66 I CA -0.539 60.581 61.300 -0.300 0.000 1.265 66 I CB 0.925 38.813 38.000 -0.186 0.000 1.388 66 I HN 0.654 nan 8.210 nan 0.000 0.480 67 F N 6.670 126.574 119.950 -0.076 0.000 2.366 67 F HA 0.458 4.985 4.527 0.001 0.000 0.366 67 F C -0.078 175.699 175.800 -0.039 0.000 1.096 67 F CA -0.830 57.136 58.000 -0.056 0.000 1.060 67 F CB 1.078 40.046 39.000 -0.053 0.000 1.282 67 F HN 0.240 nan 8.300 nan 0.000 0.450 68 I N 3.979 124.640 120.570 0.151 0.000 2.337 68 I HA 0.230 4.401 4.170 0.001 0.000 0.291 68 I C 0.461 176.618 176.117 0.067 0.000 1.046 68 I CA -0.084 61.273 61.300 0.095 0.000 1.324 68 I CB 0.634 38.687 38.000 0.088 0.000 1.409 68 I HN 0.530 nan 8.210 nan 0.000 0.494 69 R N 5.204 125.737 120.500 0.055 0.000 3.188 69 R HA -0.240 4.101 4.340 0.001 0.000 0.247 69 R C 1.144 177.494 176.300 0.083 0.000 0.918 69 R CA 0.558 56.683 56.100 0.042 0.000 0.629 69 R CB -1.712 28.466 30.300 -0.204 0.000 1.087 69 R HN 1.175 nan 8.270 nan 0.000 0.462 70 G N -1.424 107.410 108.800 0.058 0.000 2.284 70 G HA2 -0.425 3.536 3.960 0.001 0.000 0.261 70 G HA3 -0.425 3.536 3.960 0.001 0.000 0.261 70 G C 0.382 175.229 174.900 -0.089 0.000 0.997 70 G CA 0.762 45.849 45.100 -0.022 0.000 0.621 70 G HN 0.836 nan 8.290 nan 0.000 0.534 71 T N -0.693 113.862 114.554 0.002 0.000 2.813 71 T HA 0.460 4.811 4.350 0.001 0.000 0.297 71 T C 0.568 175.211 174.700 -0.094 0.000 1.036 71 T CA 0.201 62.322 62.100 0.036 0.000 1.044 71 T CB 0.923 69.908 68.868 0.194 0.000 0.993 71 T HN 0.510 nan 8.240 nan 0.000 0.535 72 N N -0.094 118.444 118.700 -0.270 0.000 2.340 72 N HA 0.322 5.063 4.740 0.001 0.000 0.236 72 N C 1.705 177.247 175.510 0.054 0.000 1.296 72 N CA -0.151 52.719 53.050 -0.300 0.000 0.896 72 N CB 0.217 38.341 38.487 -0.605 0.000 1.127 72 N HN 0.789 nan 8.380 nan 0.000 0.442 73 A N 0.864 123.869 122.820 0.308 0.000 1.958 73 A HA -0.221 4.100 4.320 0.001 0.000 0.221 73 A C 1.872 179.482 177.584 0.044 0.000 1.178 73 A CA 2.105 54.248 52.037 0.177 0.000 0.642 73 A CB -0.795 18.252 19.000 0.078 0.000 0.816 73 A HN 0.727 nan 8.150 nan 0.000 0.453 74 S N -1.974 113.720 115.700 -0.009 0.000 2.701 74 S HA 0.076 4.546 4.470 0.001 0.000 0.220 74 S C 0.883 175.574 174.600 0.151 0.000 0.954 74 S CA 0.467 58.681 58.200 0.022 0.000 0.936 74 S CB -0.746 62.452 63.200 -0.003 0.000 0.777 74 S HN 0.774 nan 8.310 nan 0.000 0.518 75 H N -0.469 118.598 119.070 -0.005 0.000 2.652 75 H HA 0.410 4.967 4.556 0.001 0.000 0.274 75 H C 0.094 175.401 175.328 -0.035 0.000 1.021 75 H CA -0.247 55.784 56.048 -0.027 0.000 1.187 75 H CB 1.024 30.776 29.762 -0.016 0.000 1.505 75 H HN 0.323 nan 8.280 nan 0.000 0.530 76 V N 2.094 122.056 119.914 0.079 0.000 2.472 76 V HA 0.230 4.351 4.120 0.001 0.000 0.290 76 V C -0.753 175.320 176.094 -0.034 0.000 1.037 76 V CA -0.846 61.461 62.300 0.012 0.000 0.908 76 V CB 1.457 33.274 31.823 -0.010 0.000 0.985 76 V HN 0.128 nan 8.190 nan 0.000 0.454 77 L N 7.993 129.177 121.223 -0.064 0.000 2.257 77 L HA 0.588 4.928 4.340 0.001 0.000 0.290 77 L C -0.571 176.219 176.870 -0.134 0.000 1.044 77 L CA 0.325 55.104 54.840 -0.102 0.000 0.810 77 L CB 1.335 43.319 42.059 -0.125 0.000 1.193 77 L HN 0.501 nan 8.230 nan 0.000 0.425 78 V N 6.954 126.789 119.914 -0.133 0.000 2.350 78 V HA 0.411 4.531 4.120 0.001 0.000 0.276 78 V C 0.225 176.218 176.094 -0.169 0.000 1.028 78 V CA -0.470 61.733 62.300 -0.162 0.000 0.860 78 V CB 1.027 32.752 31.823 -0.163 0.000 0.990 78 V HN 0.646 nan 8.190 nan 0.000 0.453 79 L N 5.472 126.578 121.223 -0.196 0.000 2.331 79 L HA 0.629 4.970 4.340 0.001 0.000 0.275 79 L C -0.688 176.086 176.870 -0.160 0.000 1.022 79 L CA -0.760 53.978 54.840 -0.169 0.000 0.812 79 L CB 1.883 43.809 42.059 -0.222 0.000 1.257 79 L HN 0.370 nan 8.230 nan 0.000 0.435 80 I N 1.898 122.410 120.570 -0.096 0.000 2.382 80 I HA 0.214 4.385 4.170 0.001 0.000 0.285 80 I C -0.300 175.829 176.117 0.021 0.000 1.007 80 I CA -0.374 60.887 61.300 -0.066 0.000 1.142 80 I CB 0.902 38.910 38.000 0.012 0.000 1.289 80 I HN 0.645 nan 8.210 nan 0.000 0.453 81 D N 5.191 125.590 120.400 -0.002 0.000 2.708 81 D HA -0.182 4.459 4.640 0.001 0.000 0.236 81 D C 1.219 177.543 176.300 0.040 0.000 1.146 81 D CA 1.432 55.445 54.000 0.020 0.000 0.662 81 D CB -0.927 39.908 40.800 0.059 0.000 1.059 81 D HN 1.135 nan 8.370 nan 0.000 0.428 82 G N -1.754 107.051 108.800 0.008 0.000 2.179 82 G HA2 -0.244 3.717 3.960 0.001 0.000 0.257 82 G HA3 -0.244 3.717 3.960 0.001 0.000 0.257 82 G C 0.228 175.176 174.900 0.080 0.000 1.010 82 G CA 0.394 45.516 45.100 0.037 0.000 0.736 82 G HN 0.650 nan 8.290 nan 0.000 0.513 83 V N -0.209 119.739 119.914 0.057 0.000 2.656 83 V HA 0.508 4.629 4.120 0.001 0.000 0.307 83 V C 0.908 177.020 176.094 0.031 0.000 1.051 83 V CA -1.223 61.125 62.300 0.081 0.000 0.893 83 V CB 1.851 33.748 31.823 0.124 0.000 0.999 83 V HN 0.470 nan 8.190 nan 0.000 0.426 84 R N 2.354 122.870 120.500 0.027 0.000 2.537 84 R HA 0.092 4.433 4.340 0.001 0.000 0.281 84 R C -0.210 176.093 176.300 0.004 0.000 0.988 84 R CA -0.355 55.742 56.100 -0.005 0.000 1.077 84 R CB 0.260 30.566 30.300 0.009 0.000 0.932 84 R HN 0.628 nan 8.270 nan 0.000 0.409 85 L N 5.886 127.097 121.223 -0.020 0.000 2.500 85 L HA 0.007 4.347 4.340 0.001 0.000 0.272 85 L C 1.287 178.175 176.870 0.030 0.000 1.149 85 L CA 0.108 54.950 54.840 0.003 0.000 0.897 85 L CB 0.538 42.569 42.059 -0.047 0.000 1.178 85 L HN 0.793 nan 8.230 nan 0.000 0.473 86 N N 5.508 124.242 118.700 0.056 0.000 2.192 86 N HA -0.248 4.493 4.740 0.001 0.000 0.188 86 N C 0.935 176.468 175.510 0.039 0.000 1.013 86 N CA 1.848 54.917 53.050 0.032 0.000 0.863 86 N CB -0.636 37.856 38.487 0.008 0.000 0.990 86 N HN 0.800 nan 8.380 nan 0.000 0.430 87 L N -0.364 120.904 121.223 0.076 0.000 2.693 87 L HA 0.259 4.600 4.340 0.001 0.000 0.242 87 L C 1.573 178.466 176.870 0.039 0.000 1.157 87 L CA 0.243 55.127 54.840 0.073 0.000 0.929 87 L CB -0.248 41.890 42.059 0.131 0.000 1.103 87 L HN 0.258 nan 8.230 nan 0.000 0.430 88 A N -0.825 122.009 122.820 0.023 0.000 2.456 88 A HA 0.372 4.692 4.320 0.001 0.000 0.237 88 A C 2.023 179.612 177.584 0.010 0.000 1.217 88 A CA 0.493 52.534 52.037 0.007 0.000 0.962 88 A CB -0.014 18.980 19.000 -0.009 0.000 1.079 88 A HN 0.352 nan 8.150 nan 0.000 0.536 89 G N 0.656 109.465 108.800 0.015 0.000 2.552 89 G HA2 -0.147 3.813 3.960 0.001 0.000 0.216 89 G HA3 -0.147 3.813 3.960 0.001 0.000 0.216 89 G C 1.480 176.395 174.900 0.025 0.000 1.240 89 G CA 1.781 46.894 45.100 0.020 0.000 0.796 89 G HN 0.276 nan 8.290 nan 0.000 0.568 90 V N 1.963 121.892 119.914 0.025 0.000 2.231 90 V HA -0.237 3.884 4.120 0.001 0.000 0.248 90 V C 3.277 179.392 176.094 0.036 0.000 1.054 90 V CA 2.770 65.089 62.300 0.031 0.000 1.015 90 V CB -1.099 30.736 31.823 0.020 0.000 0.638 90 V HN 0.628 nan 8.190 nan 0.000 0.444 91 S N 0.094 115.812 115.700 0.030 0.000 2.447 91 S HA 0.083 4.554 4.470 0.001 0.000 0.233 91 S C 1.869 176.473 174.600 0.007 0.000 1.006 91 S CA 1.233 59.450 58.200 0.028 0.000 0.957 91 S CB -0.052 63.159 63.200 0.018 0.000 0.773 91 S HN 1.377 nan 8.310 nan 0.000 0.507 92 G N 0.770 109.573 108.800 0.004 0.000 2.212 92 G HA2 -0.296 3.664 3.960 0.001 0.000 0.266 92 G HA3 -0.296 3.664 3.960 0.001 0.000 0.266 92 G C 0.216 175.110 174.900 -0.011 0.000 0.978 92 G CA 0.622 45.719 45.100 -0.006 0.000 0.632 92 G HN 1.506 nan 8.290 nan 0.000 0.537 93 S N -0.498 115.193 115.700 -0.014 0.000 2.600 93 S HA 0.850 5.320 4.470 0.001 0.000 0.300 93 S C -0.020 174.560 174.600 -0.033 0.000 1.087 93 S CA 0.519 58.706 58.200 -0.023 0.000 0.965 93 S CB 2.104 65.287 63.200 -0.028 0.000 1.089 93 S HN 1.866 nan 8.310 nan 0.000 0.496 94 A N 2.073 124.864 122.820 -0.048 0.000 2.276 94 A HA 0.557 4.878 4.320 0.001 0.000 0.300 94 A C -0.637 176.900 177.584 -0.080 0.000 1.235 94 A CA -0.432 51.569 52.037 -0.061 0.000 0.867 94 A CB 0.153 19.107 19.000 -0.078 0.000 1.137 94 A HN 0.793 nan 8.150 nan 0.000 0.527 95 D N 2.836 123.200 120.400 -0.060 0.000 2.440 95 D HA 0.417 5.058 4.640 0.001 0.000 0.239 95 D C 0.290 176.568 176.300 -0.037 0.000 1.084 95 D CA -0.225 53.733 54.000 -0.070 0.000 0.843 95 D CB 1.143 41.907 40.800 -0.060 0.000 1.097 95 D HN 0.385 nan 8.370 nan 0.000 0.531 96 L N 2.333 123.519 121.223 -0.061 0.000 2.607 96 L HA 0.012 4.353 4.340 0.001 0.000 0.228 96 L C 2.193 179.072 176.870 0.014 0.000 1.123 96 L CA 0.126 54.958 54.840 -0.013 0.000 0.890 96 L CB 0.060 42.074 42.059 -0.076 0.000 1.103 96 L HN 0.337 nan 8.230 nan 0.000 0.468 97 S N -0.823 114.842 115.700 -0.059 0.000 2.399 97 S HA -0.188 4.283 4.470 0.001 0.000 0.231 97 S C 1.804 176.346 174.600 -0.096 0.000 1.022 97 S CA 0.736 58.863 58.200 -0.122 0.000 0.983 97 S CB -0.130 62.944 63.200 -0.210 0.000 0.803 97 S HN 0.405 nan 8.310 nan 0.000 0.480 98 Q N -0.086 119.720 119.800 0.010 0.000 2.389 98 Q HA 0.334 4.675 4.340 0.001 0.000 0.204 98 Q C 0.044 176.116 176.000 0.120 0.000 0.944 98 Q CA 0.015 55.899 55.803 0.134 0.000 0.908 98 Q CB -0.210 28.637 28.738 0.182 0.000 1.002 98 Q HN 0.706 nan 8.270 nan 0.000 0.493 99 F N 4.243 124.168 119.950 -0.042 0.000 2.456 99 F HA 0.204 4.731 4.527 0.001 0.000 0.358 99 F C -2.006 173.669 175.800 -0.209 0.000 1.095 99 F CA -2.354 55.544 58.000 -0.171 0.000 1.216 99 F CB 0.958 39.915 39.000 -0.072 0.000 1.125 99 F HN -0.131 nan 8.300 nan 0.000 0.549 100 P HA 0.065 nan 4.420 nan 0.000 0.282 100 P C 0.622 177.749 177.300 -0.288 0.000 1.274 100 P CA -0.071 62.696 63.100 -0.555 0.000 0.770 100 P CB 1.515 32.751 31.700 -0.772 0.000 0.867 101 I N 4.695 125.222 120.570 -0.071 0.000 2.286 101 I HA -0.238 3.933 4.170 0.001 0.000 0.248 101 I C 2.189 178.279 176.117 -0.045 0.000 1.115 101 I CA 1.669 62.972 61.300 0.004 0.000 1.392 101 I CB -0.886 37.128 38.000 0.022 0.000 1.065 101 I HN 0.444 nan 8.210 nan 0.000 0.418 102 A N 0.225 122.992 122.820 -0.089 0.000 1.958 102 A HA -0.239 4.082 4.320 0.001 0.000 0.221 102 A C 2.079 179.579 177.584 -0.139 0.000 1.178 102 A CA 2.030 54.007 52.037 -0.100 0.000 0.642 102 A CB -1.058 17.882 19.000 -0.100 0.000 0.816 102 A HN 0.457 nan 8.150 nan 0.000 0.453 103 L N -0.660 120.458 121.223 -0.175 0.000 2.291 103 L HA 0.035 4.376 4.340 0.001 0.000 0.214 103 L C 0.806 177.631 176.870 -0.075 0.000 1.120 103 L CA 0.639 55.373 54.840 -0.178 0.000 0.799 103 L CB -0.705 41.211 42.059 -0.238 0.000 0.925 103 L HN 0.141 nan 8.230 nan 0.000 0.446 104 V N 0.104 120.023 119.914 0.008 0.000 2.455 104 V HA 0.070 4.191 4.120 0.001 0.000 0.273 104 V C 0.953 177.008 176.094 -0.066 0.000 1.045 104 V CA -0.068 62.241 62.300 0.015 0.000 0.976 104 V CB 1.299 33.144 31.823 0.036 0.000 0.993 104 V HN 0.283 nan 8.190 nan 0.000 0.475 105 Q N 3.189 122.937 119.800 -0.086 0.000 2.245 105 Q HA 0.346 4.686 4.340 0.001 0.000 0.250 105 Q C 0.468 176.408 176.000 -0.099 0.000 0.830 105 Q CA 0.374 56.111 55.803 -0.110 0.000 0.950 105 Q CB 0.705 29.362 28.738 -0.135 0.000 1.124 105 Q HN 0.745 nan 8.270 nan 0.000 0.502 106 R N -1.059 119.391 120.500 -0.084 0.000 2.664 106 R HA 0.599 4.940 4.340 0.001 0.000 0.266 106 R C -1.815 174.449 176.300 -0.061 0.000 1.046 106 R CA -0.517 55.538 56.100 -0.075 0.000 0.885 106 R CB 1.370 31.630 30.300 -0.067 0.000 1.254 106 R HN -0.088 nan 8.270 nan 0.000 0.465 107 V N 2.452 122.341 119.914 -0.042 0.000 2.483 107 V HA 0.392 4.513 4.120 0.001 0.000 0.297 107 V C -0.818 175.284 176.094 0.013 0.000 1.027 107 V CA -0.711 61.574 62.300 -0.026 0.000 0.855 107 V CB 1.708 33.522 31.823 -0.016 0.000 0.995 107 V HN 0.741 nan 8.190 nan 0.000 0.424 108 E N 3.694 123.903 120.200 0.014 0.000 2.158 108 E HA 0.495 4.845 4.350 0.001 0.000 0.271 108 E C -1.741 174.922 176.600 0.105 0.000 0.911 108 E CA -0.685 55.742 56.400 0.044 0.000 0.767 108 E CB 2.235 31.943 29.700 0.014 0.000 1.120 108 E HN 0.609 nan 8.360 nan 0.000 0.405 109 Y N 4.580 124.855 120.300 -0.042 0.000 2.333 109 Y HA 0.421 4.972 4.550 0.001 0.000 0.324 109 Y C -1.739 174.137 175.900 -0.040 0.000 1.033 109 Y CA -1.200 56.870 58.100 -0.050 0.000 1.224 109 Y CB 0.475 38.910 38.460 -0.041 0.000 1.120 109 Y HN 0.432 nan 8.280 nan 0.000 0.457 110 I N 7.531 128.020 120.570 -0.134 0.000 2.382 110 I HA 0.476 4.647 4.170 0.001 0.000 0.285 110 I C 0.034 176.003 176.117 -0.245 0.000 1.007 110 I CA -0.785 60.382 61.300 -0.223 0.000 1.142 110 I CB 1.256 39.213 38.000 -0.072 0.000 1.289 110 I HN 0.530 nan 8.210 nan 0.000 0.453 111 R N 3.490 123.761 120.500 -0.380 0.000 2.649 111 R HA 0.651 4.992 4.340 0.001 0.000 0.270 111 R C 0.628 176.817 176.300 -0.185 0.000 1.105 111 R CA 0.160 56.091 56.100 -0.282 0.000 1.193 111 R CB 0.504 30.600 30.300 -0.341 0.000 1.120 111 R HN 0.871 nan 8.270 nan 0.000 0.561 112 G N 0.625 109.313 108.800 -0.185 0.000 2.782 112 G HA2 -0.185 3.776 3.960 0.001 0.000 0.228 112 G HA3 -0.185 3.776 3.960 0.001 0.000 0.228 112 G C -2.639 172.199 174.900 -0.103 0.000 1.372 112 G CA -0.924 44.084 45.100 -0.154 0.000 0.862 112 G HN 0.487 nan 8.290 nan 0.000 0.547 113 P HA 0.453 nan 4.420 nan 0.000 0.274 113 P C -0.009 177.271 177.300 -0.032 0.000 1.237 113 P CA -0.098 62.957 63.100 -0.076 0.000 0.793 113 P CB 1.146 32.778 31.700 -0.113 0.000 0.977 114 R N 0.235 120.740 120.500 0.008 0.000 2.470 114 R HA 0.155 4.496 4.340 0.001 0.000 0.312 114 R C 0.786 177.147 176.300 0.101 0.000 0.760 114 R CA 0.142 56.282 56.100 0.065 0.000 0.970 114 R CB -0.392 30.000 30.300 0.155 0.000 1.480 114 R HN 0.283 nan 8.270 nan 0.000 0.586 115 S N -0.172 115.572 115.700 0.073 0.000 2.428 115 S HA -0.077 4.394 4.470 0.001 0.000 0.230 115 S C 1.961 176.647 174.600 0.144 0.000 1.014 115 S CA 1.039 59.314 58.200 0.125 0.000 0.957 115 S CB 0.222 63.534 63.200 0.187 0.000 0.784 115 S HN 0.528 nan 8.310 nan 0.000 0.499 116 A N 0.992 123.873 122.820 0.100 0.000 2.032 116 A HA -0.094 4.227 4.320 0.001 0.000 0.221 116 A C 2.123 179.697 177.584 -0.018 0.000 1.165 116 A CA 1.757 53.851 52.037 0.096 0.000 0.645 116 A CB -0.513 18.544 19.000 0.094 0.000 0.807 116 A HN 0.404 nan 8.150 nan 0.000 0.453 117 V N -3.535 116.270 119.914 -0.182 0.000 2.922 117 V HA 0.016 4.137 4.120 0.001 0.000 0.242 117 V C 1.799 177.478 176.094 -0.692 0.000 1.094 117 V CA 1.014 62.940 62.300 -0.622 0.000 1.106 117 V CB -0.565 30.776 31.823 -0.805 0.000 0.799 117 V HN 0.632 nan 8.190 nan 0.000 0.474 118 Y N 0.098 120.325 120.300 -0.122 0.000 2.444 118 Y HA 0.543 5.094 4.550 0.001 0.000 0.252 118 Y C 1.526 177.435 175.900 0.014 0.000 1.091 118 Y CA 0.586 58.646 58.100 -0.066 0.000 1.276 118 Y CB 1.226 39.649 38.460 -0.062 0.000 1.170 118 Y HN 0.357 nan 8.280 nan 0.000 0.517 119 G N 0.419 109.334 108.800 0.192 0.000 2.466 119 G HA2 -0.264 3.696 3.960 0.001 0.000 0.218 119 G HA3 -0.264 3.696 3.960 0.001 0.000 0.218 119 G C -0.351 174.532 174.900 -0.028 0.000 1.237 119 G CA -0.364 44.868 45.100 0.220 0.000 0.954 119 G HN 0.267 nan 8.290 nan 0.000 0.580 120 S N 1.033 116.603 115.700 -0.216 0.000 2.573 120 S HA 0.425 4.896 4.470 0.001 0.000 0.277 120 S C 1.203 175.590 174.600 -0.355 0.000 1.346 120 S CA 1.462 59.233 58.200 -0.714 0.000 1.034 120 S CB 0.077 63.040 63.200 -0.396 0.000 0.879 120 S HN 1.671 nan 8.310 nan 0.000 0.528 121 D N 0.276 120.444 120.400 -0.388 0.000 2.876 121 D HA -0.174 4.467 4.640 0.001 0.000 0.196 121 D C 0.347 176.559 176.300 -0.147 0.000 1.014 121 D CA 1.079 54.963 54.000 -0.192 0.000 1.012 121 D CB -1.824 38.918 40.800 -0.097 0.000 1.080 121 D HN 0.718 nan 8.370 nan 0.000 0.438 122 A N 0.690 123.419 122.820 -0.152 0.000 2.916 122 A HA 0.459 4.780 4.320 0.001 0.000 0.254 122 A C 1.798 179.329 177.584 -0.087 0.000 1.544 122 A CA -0.218 51.771 52.037 -0.079 0.000 1.224 122 A CB -0.773 18.222 19.000 -0.008 0.000 1.012 122 A HN 0.369 nan 8.150 nan 0.000 0.636 123 I N -0.821 119.675 120.570 -0.123 0.000 2.364 123 I HA -0.029 4.142 4.170 0.001 0.000 0.241 123 I C 2.666 178.730 176.117 -0.089 0.000 1.082 123 I CA 1.246 62.455 61.300 -0.151 0.000 1.401 123 I CB -0.435 37.367 38.000 -0.330 0.000 1.126 123 I HN 0.463 nan 8.210 nan 0.000 0.429 124 G N 0.018 108.798 108.800 -0.034 0.000 2.414 124 G HA2 0.237 4.198 3.960 0.001 0.000 0.215 124 G HA3 0.237 4.198 3.960 0.001 0.000 0.215 124 G C 0.718 175.593 174.900 -0.043 0.000 1.188 124 G CA 0.960 46.044 45.100 -0.028 0.000 0.783 124 G HN 0.548 nan 8.290 nan 0.000 0.537 125 G N -2.210 106.591 108.800 0.002 0.000 2.500 125 G HA2 0.451 4.411 3.960 0.001 0.000 0.299 125 G HA3 0.451 4.411 3.960 0.001 0.000 0.299 125 G C -2.164 172.755 174.900 0.033 0.000 1.242 125 G CA 0.087 45.200 45.100 0.021 0.000 0.859 125 G HN 0.591 nan 8.290 nan 0.000 0.481 126 V N 0.185 120.141 119.914 0.070 0.000 2.569 126 V HA 0.550 4.671 4.120 0.001 0.000 0.301 126 V C -0.643 175.480 176.094 0.047 0.000 1.044 126 V CA -0.599 61.689 62.300 -0.019 0.000 0.874 126 V CB 1.675 33.433 31.823 -0.109 0.000 1.002 126 V HN 0.663 nan 8.190 nan 0.000 0.424 127 V N 4.086 123.965 119.914 -0.057 0.000 2.293 127 V HA 0.395 4.515 4.120 0.001 0.000 0.275 127 V C 0.015 176.027 176.094 -0.137 0.000 1.021 127 V CA -0.606 61.646 62.300 -0.079 0.000 0.815 127 V CB 1.383 33.088 31.823 -0.196 0.000 1.025 127 V HN 0.828 nan 8.190 nan 0.000 0.448 128 N N 5.029 123.664 118.700 -0.108 0.000 2.437 128 N HA 0.385 5.125 4.740 0.001 0.000 0.243 128 N C -0.593 174.847 175.510 -0.117 0.000 1.041 128 N CA -0.198 52.773 53.050 -0.131 0.000 0.940 128 N CB 0.667 39.090 38.487 -0.107 0.000 1.133 128 N HN 0.606 nan 8.380 nan 0.000 0.506 129 I N 4.370 124.840 120.570 -0.166 0.000 2.325 129 I HA 0.252 4.422 4.170 0.001 0.000 0.291 129 I C 0.282 176.327 176.117 -0.119 0.000 1.019 129 I CA -0.403 60.795 61.300 -0.170 0.000 1.302 129 I CB 0.762 38.578 38.000 -0.306 0.000 1.401 129 I HN 0.328 nan 8.210 nan 0.000 0.485 130 I N 5.657 126.178 120.570 -0.083 0.000 2.336 130 I HA 0.153 4.324 4.170 0.001 0.000 0.292 130 I C 1.067 177.147 176.117 -0.061 0.000 0.991 130 I CA -0.072 61.191 61.300 -0.061 0.000 1.227 130 I CB 1.733 39.698 38.000 -0.059 0.000 1.366 130 I HN 0.628 nan 8.210 nan 0.000 0.466 131 T N -0.496 114.031 114.554 -0.045 0.000 3.092 131 T HA 0.195 4.545 4.350 0.001 0.000 0.258 131 T C 0.498 175.124 174.700 -0.123 0.000 1.031 131 T CA -0.192 61.858 62.100 -0.083 0.000 0.925 131 T CB -0.171 68.665 68.868 -0.053 0.000 1.036 131 T HN 0.452 nan 8.240 nan 0.000 0.544 132 T N 3.286 117.790 114.554 -0.083 0.000 2.859 132 T HA 0.694 5.045 4.350 0.001 0.000 0.281 132 T C -0.404 174.237 174.700 -0.097 0.000 1.005 132 T CA -0.875 61.172 62.100 -0.089 0.000 1.025 132 T CB 1.864 70.691 68.868 -0.069 0.000 0.977 132 T HN 0.520 nan 8.240 nan 0.000 0.458 133 R N 1.464 121.903 120.500 -0.101 0.000 2.734 133 R HA 0.477 4.817 4.340 0.001 0.000 0.271 133 R C -2.270 173.986 176.300 -0.073 0.000 1.021 133 R CA -0.726 55.323 56.100 -0.085 0.000 0.893 133 R CB 1.632 31.875 30.300 -0.094 0.000 1.244 133 R HN 0.571 nan 8.270 nan 0.000 0.464 134 D N 0.986 121.349 120.400 -0.061 0.000 2.472 134 D HA 0.229 4.869 4.640 0.001 0.000 0.234 134 D C -1.240 175.027 176.300 -0.055 0.000 1.088 134 D CA -0.166 53.804 54.000 -0.051 0.000 0.882 134 D CB 0.887 41.664 40.800 -0.038 0.000 1.037 134 D HN 0.521 nan 8.370 nan 0.000 0.520 135 E N 3.828 123.990 120.200 -0.062 0.000 2.761 135 E HA 0.353 4.704 4.350 0.001 0.000 0.266 135 E C -2.628 173.931 176.600 -0.067 0.000 1.097 135 E CA -2.058 54.303 56.400 -0.066 0.000 0.773 135 E CB 0.964 30.618 29.700 -0.077 0.000 1.453 135 E HN 0.234 nan 8.360 nan 0.000 0.388 136 P HA 0.284 nan 4.420 nan 0.000 0.269 136 P C 0.301 177.555 177.300 -0.077 0.000 1.205 136 P CA 1.151 64.217 63.100 -0.057 0.000 0.780 136 P CB 0.687 32.362 31.700 -0.042 0.000 0.858 137 G N -0.165 108.577 108.800 -0.095 0.000 2.500 137 G HA2 0.218 4.178 3.960 0.001 0.000 0.209 137 G HA3 0.218 4.178 3.960 0.001 0.000 0.209 137 G C -0.829 173.939 174.900 -0.220 0.000 1.283 137 G CA -0.213 44.794 45.100 -0.154 0.000 0.960 137 G HN 0.929 nan 8.290 nan 0.000 0.528 138 T N -1.832 112.506 114.554 -0.361 0.000 3.041 138 T HA 0.669 5.019 4.350 0.001 0.000 0.321 138 T C -1.027 173.422 174.700 -0.419 0.000 1.184 138 T CA 0.584 62.432 62.100 -0.421 0.000 1.050 138 T CB 1.967 70.495 68.868 -0.568 0.000 1.159 138 T HN 1.566 nan 8.240 nan 0.000 0.469 139 E N 3.837 123.934 120.200 -0.173 0.000 2.275 139 E HA 0.618 4.969 4.350 0.001 0.000 0.270 139 E C -1.438 175.218 176.600 0.093 0.000 0.882 139 E CA -0.997 55.401 56.400 -0.004 0.000 0.758 139 E CB 1.707 31.397 29.700 -0.016 0.000 1.195 139 E HN 0.727 nan 8.360 nan 0.000 0.419 140 I N 3.190 123.896 120.570 0.227 0.000 2.378 140 I HA 0.347 4.517 4.170 0.001 0.000 0.291 140 I C -0.637 175.589 176.117 0.181 0.000 0.992 140 I CA -0.446 60.974 61.300 0.201 0.000 1.154 140 I CB 1.920 40.061 38.000 0.235 0.000 1.315 140 I HN 0.461 nan 8.210 nan 0.000 0.448 141 S N 4.208 119.991 115.700 0.138 0.000 2.599 141 S HA 0.970 5.441 4.470 0.001 0.000 0.287 141 S C -0.638 174.036 174.600 0.122 0.000 1.105 141 S CA -0.809 57.462 58.200 0.118 0.000 0.899 141 S CB 2.418 65.665 63.200 0.078 0.000 1.100 141 S HN 0.793 nan 8.310 nan 0.000 0.482 142 A N 0.202 123.080 122.820 0.096 0.000 2.581 142 A HA 1.009 5.330 4.320 0.001 0.000 0.290 142 A C -0.607 176.992 177.584 0.025 0.000 1.119 142 A CA -0.411 51.643 52.037 0.029 0.000 0.670 142 A CB 1.301 20.360 19.000 0.097 0.000 1.280 142 A HN 1.629 nan 8.150 nan 0.000 0.425 143 G N -1.540 107.235 108.800 -0.040 0.000 2.702 143 G HA2 0.569 4.529 3.960 0.001 0.000 0.296 143 G HA3 0.569 4.529 3.960 0.001 0.000 0.296 143 G C -1.573 173.401 174.900 0.123 0.000 1.463 143 G CA 0.027 45.184 45.100 0.094 0.000 0.890 143 G HN 2.019 nan 8.290 nan 0.000 0.534 144 W N 1.646 122.969 121.300 0.038 0.000 2.781 144 W HA 0.891 5.552 4.660 0.001 0.000 0.345 144 W C -0.076 176.539 176.519 0.161 0.000 1.085 144 W CA -1.073 56.297 57.345 0.041 0.000 1.198 144 W CB 2.064 31.519 29.460 -0.007 0.000 1.423 144 W HN 1.185 nan 8.180 nan 0.000 0.532 145 G N 1.555 110.576 108.800 0.369 0.000 2.608 145 G HA2 0.461 4.421 3.960 0.001 0.000 0.291 145 G HA3 0.461 4.421 3.960 0.001 0.000 0.291 145 G C -1.158 173.892 174.900 0.251 0.000 1.425 145 G CA -0.967 44.245 45.100 0.186 0.000 0.787 145 G HN 0.633 nan 8.290 nan 0.000 0.484 146 S N 0.155 115.959 115.700 0.172 0.000 2.553 146 S HA 0.070 4.541 4.470 0.001 0.000 0.271 146 S C 1.059 175.740 174.600 0.134 0.000 1.362 146 S CA 0.562 58.862 58.200 0.168 0.000 1.010 146 S CB 0.032 63.313 63.200 0.134 0.000 0.865 146 S HN 0.745 nan 8.310 nan 0.000 0.543 147 N N 0.343 119.108 118.700 0.108 0.000 2.716 147 N HA -0.205 4.536 4.740 0.001 0.000 0.250 147 N C -0.258 175.210 175.510 -0.069 0.000 1.033 147 N CA 0.727 53.821 53.050 0.073 0.000 0.727 147 N CB -1.177 37.367 38.487 0.096 0.000 0.950 147 N HN 0.675 nan 8.380 nan 0.000 0.541 148 S N -1.975 113.678 115.700 -0.079 0.000 3.521 148 S HA -0.282 4.189 4.470 0.001 0.000 0.328 148 S C 0.031 174.498 174.600 -0.222 0.000 1.165 148 S CA 0.882 58.924 58.200 -0.262 0.000 0.941 148 S CB -1.453 61.266 63.200 -0.801 0.000 0.951 148 S HN 0.615 nan 8.310 nan 0.000 0.539 149 Y N 3.410 123.648 120.300 -0.104 0.000 2.569 149 Y HA 0.332 4.883 4.550 0.001 0.000 0.332 149 Y C 0.444 176.342 175.900 -0.003 0.000 1.120 149 Y CA 0.335 58.406 58.100 -0.050 0.000 1.416 149 Y CB 0.284 38.742 38.460 -0.004 0.000 1.210 149 Y HN 0.488 nan 8.280 nan 0.000 0.528 150 Q N 5.735 125.129 119.800 -0.677 0.000 2.356 150 Q HA 0.429 4.770 4.340 0.001 0.000 0.270 150 Q C -1.776 173.651 176.000 -0.955 0.000 1.058 150 Q CA -1.054 54.358 55.803 -0.653 0.000 0.802 150 Q CB 2.325 30.902 28.738 -0.268 0.000 1.303 150 Q HN 0.778 nan 8.270 nan 0.000 0.444 151 N N 2.165 120.307 118.700 -0.930 0.000 2.229 151 N HA 0.427 5.168 4.740 0.001 0.000 0.298 151 N C -1.859 173.225 175.510 -0.711 0.000 1.114 151 N CA -0.391 52.297 53.050 -0.603 0.000 0.776 151 N CB 1.896 40.229 38.487 -0.258 0.000 1.501 151 N HN 0.686 nan 8.380 nan 0.000 0.474 152 Y N 0.617 120.963 120.300 0.078 0.000 2.361 152 Y HA 0.334 4.885 4.550 0.001 0.000 0.328 152 Y C -0.814 175.128 175.900 0.071 0.000 1.044 152 Y CA -0.924 57.215 58.100 0.065 0.000 1.085 152 Y CB 1.977 40.456 38.460 0.032 0.000 1.194 152 Y HN 0.370 nan 8.280 nan 0.000 0.438 153 D N 2.670 123.183 120.400 0.188 0.000 2.934 153 D HA 0.625 5.266 4.640 0.001 0.000 0.230 153 D C -1.769 174.591 176.300 0.100 0.000 1.204 153 D CA -0.263 53.808 54.000 0.118 0.000 0.873 153 D CB 2.788 43.630 40.800 0.069 0.000 1.645 153 D HN 0.351 nan 8.370 nan 0.000 0.502 154 V N 1.539 121.498 119.914 0.075 0.000 2.876 154 V HA 0.735 4.855 4.120 0.001 0.000 0.312 154 V C -0.474 175.633 176.094 0.022 0.000 1.085 154 V CA -0.632 61.703 62.300 0.057 0.000 0.945 154 V CB 1.978 33.840 31.823 0.064 0.000 1.017 154 V HN 0.593 nan 8.190 nan 0.000 0.428 155 S N 1.935 117.631 115.700 -0.007 0.000 2.582 155 S HA 0.644 5.114 4.470 0.001 0.000 0.287 155 S C -1.102 173.454 174.600 -0.073 0.000 1.146 155 S CA -0.211 57.962 58.200 -0.045 0.000 0.941 155 S CB 1.814 64.976 63.200 -0.064 0.000 1.115 155 S HN 0.996 nan 8.310 nan 0.000 0.458 156 T N 3.037 117.549 114.554 -0.069 0.000 2.923 156 T HA 0.605 4.956 4.350 0.001 0.000 0.311 156 T C -1.860 172.803 174.700 -0.063 0.000 1.183 156 T CA -0.358 61.688 62.100 -0.090 0.000 1.020 156 T CB 1.967 70.785 68.868 -0.084 0.000 1.165 156 T HN 0.771 nan 8.240 nan 0.000 0.482 157 Q N 2.747 122.503 119.800 -0.073 0.000 2.304 157 Q HA 0.589 4.930 4.340 0.001 0.000 0.270 157 Q C -1.633 174.341 176.000 -0.043 0.000 1.035 157 Q CA -0.695 55.080 55.803 -0.046 0.000 0.781 157 Q CB 1.219 29.924 28.738 -0.056 0.000 1.261 157 Q HN 0.486 nan 8.270 nan 0.000 0.444 158 Q N 1.942 121.730 119.800 -0.021 0.000 2.418 158 Q HA 0.314 4.655 4.340 0.001 0.000 0.282 158 Q C -1.321 174.673 176.000 -0.011 0.000 1.044 158 Q CA -0.900 54.891 55.803 -0.020 0.000 0.813 158 Q CB 2.150 30.880 28.738 -0.014 0.000 1.428 158 Q HN 0.630 nan 8.270 nan 0.000 0.402 159 Q N 1.638 121.429 119.800 -0.015 0.000 2.295 159 Q HA 0.200 4.541 4.340 0.001 0.000 0.259 159 Q C 0.169 176.162 176.000 -0.012 0.000 0.976 159 Q CA -0.152 55.640 55.803 -0.018 0.000 0.923 159 Q CB 1.026 29.751 28.738 -0.022 0.000 1.185 159 Q HN 0.392 nan 8.270 nan 0.000 0.410 160 L N 1.562 122.776 121.223 -0.014 0.000 2.667 160 L HA 0.303 4.644 4.340 0.001 0.000 0.232 160 L C 0.961 177.825 176.870 -0.010 0.000 1.138 160 L CA 0.817 55.655 54.840 -0.003 0.000 0.921 160 L CB 0.300 42.364 42.059 0.009 0.000 1.180 160 L HN 0.868 nan 8.230 nan 0.000 0.487 161 G N -1.401 107.384 108.800 -0.025 0.000 4.226 161 G HA2 -0.065 3.896 3.960 0.001 0.000 0.220 161 G HA3 -0.065 3.896 3.960 0.001 0.000 0.220 161 G C 0.509 175.372 174.900 -0.062 0.000 0.817 161 G CA 0.511 45.587 45.100 -0.041 0.000 0.879 161 G HN 0.165 nan 8.290 nan 0.000 0.669 162 D N 0.911 121.276 120.400 -0.058 0.000 2.394 162 D HA -0.255 4.386 4.640 0.001 0.000 0.169 162 D C 1.301 177.555 176.300 -0.076 0.000 1.214 162 D CA 2.795 56.764 54.000 -0.052 0.000 1.131 162 D CB -1.372 39.409 40.800 -0.031 0.000 1.157 162 D HN 0.719 nan 8.370 nan 0.000 0.455 163 K N 0.165 120.489 120.400 -0.128 0.000 2.372 163 K HA 0.442 4.763 4.320 0.001 0.000 0.200 163 K C -0.088 176.298 176.600 -0.358 0.000 1.022 163 K CA -0.041 56.115 56.287 -0.218 0.000 1.125 163 K CB 0.391 32.739 32.500 -0.254 0.000 0.855 163 K HN 0.194 nan 8.250 nan 0.000 0.524 164 T N 0.879 115.292 114.554 -0.234 0.000 2.928 164 T HA 0.403 4.754 4.350 0.001 0.000 0.296 164 T C -1.402 173.258 174.700 -0.066 0.000 1.000 164 T CA -0.742 61.246 62.100 -0.186 0.000 0.989 164 T CB 1.765 70.544 68.868 -0.148 0.000 1.005 164 T HN 0.206 nan 8.240 nan 0.000 0.442 165 R N 2.020 122.505 120.500 -0.024 0.000 2.589 165 R HA 0.826 5.167 4.340 0.001 0.000 0.293 165 R C -1.265 175.058 176.300 0.040 0.000 0.963 165 R CA -0.592 55.510 56.100 0.004 0.000 0.905 165 R CB 1.356 31.661 30.300 0.008 0.000 1.144 165 R HN 0.450 nan 8.270 nan 0.000 0.459 166 V N 3.272 123.209 119.914 0.038 0.000 2.680 166 V HA 0.663 4.783 4.120 0.001 0.000 0.309 166 V C -1.264 174.867 176.094 0.061 0.000 1.052 166 V CA -0.169 62.169 62.300 0.063 0.000 0.908 166 V CB 2.425 34.283 31.823 0.058 0.000 1.001 166 V HN 0.972 nan 8.190 nan 0.000 0.431 167 T N 7.348 121.964 114.554 0.102 0.000 2.912 167 T HA 0.724 5.075 4.350 0.001 0.000 0.299 167 T C -1.120 173.681 174.700 0.168 0.000 1.052 167 T CA -0.396 61.762 62.100 0.097 0.000 0.996 167 T CB 1.420 70.344 68.868 0.092 0.000 1.070 167 T HN 0.571 nan 8.240 nan 0.000 0.465 168 L N 3.507 124.793 121.223 0.106 0.000 2.455 168 L HA 0.757 5.098 4.340 0.001 0.000 0.264 168 L C -1.498 175.411 176.870 0.065 0.000 0.968 168 L CA -1.196 53.730 54.840 0.144 0.000 0.827 168 L CB 2.013 44.129 42.059 0.096 0.000 1.317 168 L HN 0.475 nan 8.230 nan 0.000 0.407 169 L N 0.958 122.242 121.223 0.102 0.000 2.393 169 L HA 1.062 5.402 4.340 0.001 0.000 0.260 169 L C -0.616 176.303 176.870 0.082 0.000 1.002 169 L CA -0.524 54.336 54.840 0.033 0.000 0.818 169 L CB 2.060 44.072 42.059 -0.078 0.000 1.369 169 L HN 0.495 nan 8.230 nan 0.000 0.412 170 G N 0.966 109.803 108.800 0.062 0.000 2.609 170 G HA2 0.556 4.517 3.960 0.001 0.000 0.308 170 G HA3 0.556 4.517 3.960 0.001 0.000 0.308 170 G C -1.875 173.071 174.900 0.077 0.000 1.369 170 G CA -0.283 44.864 45.100 0.078 0.000 0.958 170 G HN 0.840 nan 8.290 nan 0.000 0.499 171 D N -0.052 120.394 120.400 0.077 0.000 2.738 171 D HA 0.549 5.190 4.640 0.001 0.000 0.237 171 D C -1.666 174.707 176.300 0.122 0.000 1.123 171 D CA -0.476 53.571 54.000 0.079 0.000 0.856 171 D CB 2.131 42.935 40.800 0.007 0.000 1.552 171 D HN 0.318 nan 8.370 nan 0.000 0.480 172 Y N 2.243 122.562 120.300 0.032 0.000 2.391 172 Y HA 0.674 5.225 4.550 0.001 0.000 0.341 172 Y C -1.501 174.381 175.900 -0.029 0.000 0.965 172 Y CA -0.754 57.361 58.100 0.025 0.000 1.067 172 Y CB 1.803 40.336 38.460 0.120 0.000 1.199 172 Y HN 0.472 nan 8.280 nan 0.000 0.450 173 A N 5.280 127.766 122.820 -0.556 0.000 2.476 173 A HA 0.508 4.829 4.320 0.001 0.000 0.280 173 A C -2.229 175.081 177.584 -0.457 0.000 1.081 173 A CA -0.434 51.377 52.037 -0.377 0.000 0.753 173 A CB 0.551 19.427 19.000 -0.207 0.000 1.248 173 A HN 0.789 nan 8.150 nan 0.000 0.424 174 H N 1.026 119.859 119.070 -0.396 0.000 2.637 174 H HA 0.884 5.441 4.556 0.001 0.000 0.363 174 H C -0.845 174.430 175.328 -0.089 0.000 1.131 174 H CA 0.365 56.276 56.048 -0.228 0.000 1.183 174 H CB 2.041 31.749 29.762 -0.089 0.000 1.637 174 H HN 0.859 nan 8.280 nan 0.000 0.531 175 T N 4.064 118.909 114.554 0.485 0.000 3.047 175 T HA 0.348 4.699 4.350 0.001 0.000 0.340 175 T C -1.115 173.782 174.700 0.329 0.000 1.421 175 T CA -0.771 61.450 62.100 0.201 0.000 1.090 175 T CB 0.549 69.631 68.868 0.357 0.000 1.292 175 T HN 0.606 nan 8.240 nan 0.000 0.480 176 H N 1.301 120.453 119.070 0.137 0.000 2.437 176 H HA 0.840 5.397 4.556 0.001 0.000 0.338 176 H C 0.961 176.364 175.328 0.125 0.000 1.495 176 H CA -0.005 56.124 56.048 0.134 0.000 1.453 176 H CB 0.619 30.425 29.762 0.073 0.000 1.707 176 H HN 1.006 nan 8.280 nan 0.000 0.655 194 N N -0.366 118.310 118.700 -0.041 0.000 2.868 194 N HA 0.144 4.885 4.740 0.001 0.000 0.301 194 N C -0.677 174.769 175.510 -0.106 0.000 1.364 194 N CA -0.390 52.608 53.050 -0.086 0.000 0.767 194 N CB -0.222 38.222 38.487 -0.071 0.000 1.120 194 N HN 0.353 nan 8.380 nan 0.000 0.470 195 D N 0.363 120.711 120.400 -0.088 0.000 2.736 195 D HA 0.172 4.812 4.640 0.001 0.000 0.228 195 D C 0.041 176.533 176.300 0.319 0.000 1.077 195 D CA 0.190 54.243 54.000 0.087 0.000 1.096 195 D CB -0.838 40.118 40.800 0.260 0.000 1.138 195 D HN 0.447 nan 8.370 nan 0.000 0.461 196 G N 1.264 110.235 108.800 0.285 0.000 3.714 196 G HA2 0.394 4.355 3.960 0.001 0.000 0.276 196 G HA3 0.394 4.355 3.960 0.001 0.000 0.276 196 G C -0.477 174.643 174.900 0.367 0.000 1.058 196 G CA -0.492 44.754 45.100 0.244 0.000 1.700 196 G HN 0.323 nan 8.290 nan 0.000 0.605 197 F N 1.377 121.406 119.950 0.132 0.000 2.831 197 F HA 0.236 4.763 4.527 0.001 0.000 0.310 197 F C -1.988 173.778 175.800 -0.057 0.000 0.977 197 F CA -1.060 56.969 58.000 0.048 0.000 1.181 197 F CB 0.589 39.636 39.000 0.079 0.000 1.460 197 F HN 0.117 nan 8.300 nan 0.000 0.723 198 L N 5.792 126.586 121.223 -0.715 0.000 2.372 198 L HA 0.567 4.907 4.340 0.001 0.000 0.273 198 L C -0.993 175.361 176.870 -0.859 0.000 0.989 198 L CA -0.281 54.101 54.840 -0.762 0.000 0.841 198 L CB 1.793 43.505 42.059 -0.578 0.000 1.225 198 L HN 0.570 nan 8.230 nan 0.000 0.414 199 S N 3.867 119.041 115.700 -0.877 0.000 2.449 199 S HA 0.563 5.034 4.470 0.001 0.000 0.310 199 S C -0.805 173.531 174.600 -0.441 0.000 1.096 199 S CA -0.542 57.283 58.200 -0.624 0.000 1.095 199 S CB 1.106 63.953 63.200 -0.589 0.000 1.007 199 S HN 0.509 nan 8.310 nan 0.000 0.474 200 K N 2.631 122.883 120.400 -0.246 0.000 2.535 200 K HA 0.459 4.780 4.320 0.001 0.000 0.253 200 K C -1.103 175.498 176.600 0.002 0.000 0.953 200 K CA -0.418 55.807 56.287 -0.103 0.000 0.863 200 K CB 1.902 34.382 32.500 -0.033 0.000 1.111 200 K HN 0.424 nan 8.250 nan 0.000 0.431 201 T N 2.763 117.329 114.554 0.020 0.000 2.829 201 T HA 0.541 4.892 4.350 0.001 0.000 0.280 201 T C -1.217 173.542 174.700 0.099 0.000 0.999 201 T CA -0.686 61.460 62.100 0.076 0.000 0.983 201 T CB 1.130 69.996 68.868 -0.004 0.000 0.968 201 T HN 0.247 nan 8.240 nan 0.000 0.446 202 L N 3.035 124.338 121.223 0.132 0.000 2.370 202 L HA 0.822 5.163 4.340 0.001 0.000 0.266 202 L C -1.829 175.153 176.870 0.186 0.000 1.002 202 L CA -0.841 54.079 54.840 0.133 0.000 0.818 202 L CB 1.903 44.020 42.059 0.097 0.000 1.325 202 L HN 0.729 nan 8.230 nan 0.000 0.418 203 Y N 2.560 122.883 120.300 0.038 0.000 2.482 203 Y HA 0.738 5.289 4.550 0.001 0.000 0.334 203 Y C -0.738 175.178 175.900 0.026 0.000 1.091 203 Y CA -0.585 57.540 58.100 0.041 0.000 1.027 203 Y CB 2.239 40.691 38.460 -0.014 0.000 1.306 203 Y HN 0.691 nan 8.280 nan 0.000 0.446 204 G N 2.749 111.378 108.800 -0.286 0.000 2.753 204 G HA2 0.769 4.730 3.960 0.001 0.000 0.295 204 G HA3 0.769 4.730 3.960 0.001 0.000 0.295 204 G C -2.135 172.713 174.900 -0.085 0.000 1.437 204 G CA -0.278 44.821 45.100 -0.002 0.000 1.094 204 G HN 1.059 nan 8.290 nan 0.000 0.540 205 A N 1.086 124.007 122.820 0.168 0.000 2.475 205 A HA 0.874 5.195 4.320 0.001 0.000 0.301 205 A C -1.866 175.829 177.584 0.185 0.000 1.059 205 A CA -0.660 51.489 52.037 0.188 0.000 0.710 205 A CB 2.237 21.428 19.000 0.318 0.000 1.288 205 A HN 1.237 nan 8.150 nan 0.000 0.408 206 L N 0.756 122.098 121.223 0.198 0.000 2.436 206 L HA 0.710 5.051 4.340 0.001 0.000 0.268 206 L C -0.586 176.408 176.870 0.207 0.000 0.974 206 L CA 0.016 54.958 54.840 0.170 0.000 0.826 206 L CB 1.901 44.050 42.059 0.150 0.000 1.291 206 L HN 0.860 nan 8.230 nan 0.000 0.406 207 E N 3.191 123.491 120.200 0.167 0.000 2.274 207 E HA 0.343 4.694 4.350 0.001 0.000 0.269 207 E C -1.823 174.847 176.600 0.118 0.000 0.891 207 E CA -0.594 55.917 56.400 0.186 0.000 0.784 207 E CB 0.987 30.776 29.700 0.149 0.000 1.225 207 E HN 0.644 nan 8.360 nan 0.000 0.412 208 H N 3.982 123.037 119.070 -0.024 0.000 2.637 208 H HA 0.409 4.965 4.556 0.001 0.000 0.363 208 H C -1.291 173.905 175.328 -0.220 0.000 1.131 208 H CA -0.693 55.250 56.048 -0.175 0.000 1.183 208 H CB 1.644 31.197 29.762 -0.348 0.000 1.637 208 H HN 0.501 nan 8.280 nan 0.000 0.531 209 N N 4.836 123.482 118.700 -0.091 0.000 2.546 209 N HA 0.061 4.802 4.740 0.001 0.000 0.238 209 N C 0.684 176.331 175.510 0.228 0.000 0.984 209 N CA -0.126 52.977 53.050 0.089 0.000 0.935 209 N CB 0.567 39.074 38.487 0.033 0.000 1.122 209 N HN 0.478 nan 8.380 nan 0.000 0.510 210 F N 0.728 120.936 119.950 0.430 0.000 2.171 210 F HA -0.147 4.381 4.527 0.001 0.000 0.300 210 F C 1.700 177.645 175.800 0.243 0.000 1.090 210 F CA 0.790 58.968 58.000 0.297 0.000 1.293 210 F CB 0.222 39.320 39.000 0.163 0.000 1.013 210 F HN 0.335 nan 8.300 nan 0.000 0.486 211 T N -4.959 109.850 114.554 0.425 0.000 2.671 211 T HA 0.159 4.510 4.350 0.001 0.000 0.300 211 T C 0.067 174.896 174.700 0.214 0.000 1.238 211 T CA -0.664 61.617 62.100 0.302 0.000 1.020 211 T CB 1.199 70.287 68.868 0.367 0.000 1.503 211 T HN -0.140 nan 8.240 nan 0.000 0.497 212 D N 0.276 120.760 120.400 0.140 0.000 2.263 212 D HA 0.081 4.722 4.640 0.001 0.000 0.208 212 D C 1.662 177.976 176.300 0.023 0.000 0.971 212 D CA 1.360 55.402 54.000 0.070 0.000 0.867 212 D CB -0.207 40.620 40.800 0.046 0.000 0.929 212 D HN 0.696 nan 8.370 nan 0.000 0.492 213 A N -0.610 122.212 122.820 0.003 0.000 2.141 213 A HA 0.183 4.503 4.320 0.001 0.000 0.201 213 A C 0.198 177.633 177.584 -0.248 0.000 1.344 213 A CA -0.471 51.423 52.037 -0.239 0.000 0.971 213 A CB -0.045 18.638 19.000 -0.529 0.000 1.035 213 A HN 0.049 nan 8.150 nan 0.000 0.480 214 W N 1.583 122.922 121.300 0.064 0.000 2.316 214 W HA 0.521 5.182 4.660 0.001 0.000 0.311 214 W C 0.525 177.261 176.519 0.361 0.000 1.217 214 W CA 0.696 58.194 57.345 0.254 0.000 1.199 214 W CB 1.277 30.934 29.460 0.327 0.000 1.202 214 W HN 0.350 nan 8.180 nan 0.000 0.528 215 S N 2.345 118.449 115.700 0.675 0.000 2.588 215 S HA 0.931 5.401 4.470 0.001 0.000 0.269 215 S C -0.728 174.195 174.600 0.539 0.000 1.157 215 S CA -0.873 57.636 58.200 0.515 0.000 0.824 215 S CB 1.753 65.132 63.200 0.299 0.000 1.126 215 S HN 0.802 nan 8.310 nan 0.000 0.464 216 G N 0.379 109.414 108.800 0.392 0.000 2.718 216 G HA2 0.745 4.706 3.960 0.001 0.000 0.295 216 G HA3 0.745 4.706 3.960 0.001 0.000 0.295 216 G C -1.410 173.672 174.900 0.303 0.000 1.421 216 G CA -0.820 44.493 45.100 0.355 0.000 0.902 216 G HN 1.419 nan 8.290 nan 0.000 0.501 217 F N -0.296 119.760 119.950 0.176 0.000 2.613 217 F HA 0.860 5.387 4.527 0.001 0.000 0.310 217 F C -0.974 174.917 175.800 0.152 0.000 1.085 217 F CA -1.501 56.588 58.000 0.147 0.000 0.945 217 F CB 1.844 40.930 39.000 0.142 0.000 1.298 217 F HN 0.468 nan 8.300 nan 0.000 0.455 218 V N 1.374 121.442 119.914 0.256 0.000 2.823 218 V HA 0.823 4.944 4.120 0.001 0.000 0.312 218 V C -0.675 175.617 176.094 0.330 0.000 1.072 218 V CA -1.119 61.321 62.300 0.234 0.000 0.937 218 V CB 2.021 33.941 31.823 0.162 0.000 1.013 218 V HN 0.966 nan 8.190 nan 0.000 0.430 219 R N 1.104 121.792 120.500 0.313 0.000 2.710 219 R HA 0.807 5.147 4.340 0.001 0.000 0.270 219 R C -0.662 175.609 176.300 -0.048 0.000 1.021 219 R CA -0.860 55.315 56.100 0.125 0.000 0.889 219 R CB 2.534 32.893 30.300 0.098 0.000 1.243 219 R HN 1.036 nan 8.270 nan 0.000 0.464 220 G N 1.367 109.878 108.800 -0.481 0.000 2.719 220 G HA2 0.611 4.571 3.960 0.001 0.000 0.298 220 G HA3 0.611 4.571 3.960 0.001 0.000 0.298 220 G C -1.531 172.871 174.900 -0.830 0.000 1.433 220 G CA -0.558 43.767 45.100 -1.292 0.000 1.034 220 G HN 0.552 nan 8.290 nan 0.000 0.517 221 Y N -0.043 119.773 120.300 -0.806 0.000 2.638 221 Y HA 0.907 5.457 4.550 0.001 0.000 0.339 221 Y C 0.139 175.846 175.900 -0.322 0.000 1.084 221 Y CA -1.394 56.422 58.100 -0.473 0.000 1.068 221 Y CB 1.750 40.047 38.460 -0.272 0.000 1.294 221 Y HN 0.915 nan 8.280 nan 0.000 0.480 222 G N 0.208 109.020 108.800 0.019 0.000 2.673 222 G HA2 0.540 4.501 3.960 0.001 0.000 0.292 222 G HA3 0.540 4.501 3.960 0.001 0.000 0.292 222 G C -2.419 172.562 174.900 0.136 0.000 1.450 222 G CA -1.045 44.020 45.100 -0.058 0.000 0.837 222 G HN 1.006 nan 8.290 nan 0.000 0.505 223 Y N -0.984 119.306 120.300 -0.017 0.000 2.545 223 Y HA 0.797 5.347 4.550 0.001 0.000 0.348 223 Y C -1.331 174.515 175.900 -0.090 0.000 1.002 223 Y CA -1.559 56.505 58.100 -0.060 0.000 1.039 223 Y CB 2.146 40.543 38.460 -0.105 0.000 1.271 223 Y HN 0.288 nan 8.280 nan 0.000 0.467 224 D N 1.474 121.858 120.400 -0.026 0.000 2.492 224 D HA 0.350 4.991 4.640 0.001 0.000 0.248 224 D C -1.342 174.835 176.300 -0.205 0.000 1.101 224 D CA -0.565 53.284 54.000 -0.251 0.000 0.840 224 D CB 1.434 42.070 40.800 -0.274 0.000 1.209 224 D HN 0.679 nan 8.370 nan 0.000 0.524 225 N N 1.464 120.037 118.700 -0.213 0.000 2.314 225 N HA 0.405 5.146 4.740 0.001 0.000 0.294 225 N C -0.715 174.723 175.510 -0.121 0.000 1.029 225 N CA -0.700 52.262 53.050 -0.147 0.000 0.845 225 N CB 2.447 40.976 38.487 0.069 0.000 1.321 225 N HN 0.041 nan 8.380 nan 0.000 0.481 226 R N 1.338 121.758 120.500 -0.134 0.000 2.445 226 R HA 0.432 4.772 4.340 0.001 0.000 0.308 226 R C -1.157 175.201 176.300 0.097 0.000 0.961 226 R CA -0.316 55.773 56.100 -0.018 0.000 0.862 226 R CB 1.529 31.795 30.300 -0.057 0.000 1.144 226 R HN 0.548 nan 8.270 nan 0.000 0.447 227 T N 2.224 116.905 114.554 0.211 0.000 2.952 227 T HA 0.383 4.734 4.350 0.001 0.000 0.305 227 T C -1.211 173.641 174.700 0.254 0.000 1.064 227 T CA -0.897 61.391 62.100 0.313 0.000 1.008 227 T CB 1.225 70.356 68.868 0.439 0.000 1.078 227 T HN 0.539 nan 8.240 nan 0.000 0.459 228 N N 2.708 121.530 118.700 0.202 0.000 2.456 228 N HA 0.604 5.345 4.740 0.001 0.000 0.296 228 N C -1.363 174.255 175.510 0.180 0.000 1.102 228 N CA -0.227 52.874 53.050 0.086 0.000 0.924 228 N CB 1.693 40.192 38.487 0.020 0.000 1.186 228 N HN 0.807 nan 8.380 nan 0.000 0.492 229 Y N -1.900 118.422 120.300 0.036 0.000 2.519 229 Y HA 0.205 4.756 4.550 0.001 0.000 0.336 229 Y C -0.657 175.279 175.900 0.059 0.000 1.089 229 Y CA -1.494 56.638 58.100 0.054 0.000 1.025 229 Y CB 0.308 38.801 38.460 0.055 0.000 1.318 229 Y HN 0.430 nan 8.280 nan 0.000 0.452 230 D N 1.875 122.373 120.400 0.163 0.000 4.812 230 D HA 0.064 4.704 4.640 0.001 0.000 0.206 230 D C -0.105 176.352 176.300 0.262 0.000 1.283 230 D CA 1.167 55.269 54.000 0.170 0.000 0.795 230 D CB 0.186 41.126 40.800 0.233 0.000 1.274 230 D HN 0.901 nan 8.370 nan 0.000 0.710 231 A N 2.924 125.830 122.820 0.144 0.000 2.313 231 A HA 0.511 4.832 4.320 0.001 0.000 0.323 231 A C -1.117 176.603 177.584 0.228 0.000 1.133 231 A CA -1.021 51.156 52.037 0.232 0.000 0.847 231 A CB 1.254 20.342 19.000 0.148 0.000 1.308 231 A HN 0.608 nan 8.150 nan 0.000 0.475 232 Y N 0.229 120.614 120.300 0.141 0.000 2.336 232 Y HA 0.446 4.997 4.550 0.001 0.000 0.335 232 Y C -0.659 175.325 175.900 0.139 0.000 1.046 232 Y CA -0.038 58.131 58.100 0.115 0.000 1.198 232 Y CB 0.559 39.067 38.460 0.080 0.000 1.182 232 Y HN 0.626 nan 8.280 nan 0.000 0.502 233 Y N 5.082 125.228 120.300 -0.257 0.000 2.326 233 Y HA 0.453 5.004 4.550 0.001 0.000 0.337 233 Y C -0.625 175.212 175.900 -0.106 0.000 1.023 233 Y CA -0.288 57.730 58.100 -0.137 0.000 1.143 233 Y CB 0.842 39.202 38.460 -0.167 0.000 1.183 233 Y HN 0.594 nan 8.280 nan 0.000 0.485 234 S N 8.701 124.100 115.700 -0.502 0.000 2.733 234 S HA 0.331 4.802 4.470 0.001 0.000 0.307 234 S C -2.680 171.549 174.600 -0.618 0.000 1.127 234 S CA -1.344 56.592 58.200 -0.441 0.000 1.097 234 S CB 1.071 64.223 63.200 -0.081 0.000 1.003 234 S HN 0.565 nan 8.310 nan 0.000 0.477 235 P HA 0.120 nan 4.420 nan 0.000 0.261 235 P C 1.039 178.239 177.300 -0.167 0.000 1.165 235 P CA 1.292 64.155 63.100 -0.396 0.000 0.759 235 P CB 0.273 31.833 31.700 -0.233 0.000 0.772 236 G N 1.564 110.327 108.800 -0.061 0.000 2.217 236 G HA2 -0.208 3.753 3.960 0.001 0.000 0.246 236 G HA3 -0.208 3.753 3.960 0.001 0.000 0.246 236 G C 0.210 175.100 174.900 -0.016 0.000 0.990 236 G CA 0.053 45.147 45.100 -0.011 0.000 0.627 236 G HN 0.613 nan 8.290 nan 0.000 0.522 237 S N 1.870 117.536 115.700 -0.057 0.000 2.500 237 S HA 0.670 5.141 4.470 0.001 0.000 0.301 237 S C -2.303 172.232 174.600 -0.107 0.000 1.092 237 S CA -0.951 57.194 58.200 -0.091 0.000 1.030 237 S CB 2.439 65.594 63.200 -0.074 0.000 1.031 237 S HN 0.212 nan 8.310 nan 0.000 0.483 238 P HA -0.015 nan 4.420 nan 0.000 0.268 238 P C -0.940 176.335 177.300 -0.042 0.000 1.189 238 P CA -0.071 62.825 63.100 -0.340 0.000 0.771 238 P CB 0.397 31.756 31.700 -0.569 0.000 0.822 239 L N 3.540 124.798 121.223 0.059 0.000 2.283 239 L HA 0.238 4.579 4.340 0.001 0.000 0.281 239 L C -0.768 176.129 176.870 0.046 0.000 1.033 239 L CA -0.921 53.979 54.840 0.100 0.000 0.848 239 L CB 0.507 42.646 42.059 0.135 0.000 1.226 239 L HN 0.234 nan 8.230 nan 0.000 0.429 240 L N 5.252 126.506 121.223 0.052 0.000 2.401 240 L HA 0.175 4.515 4.340 0.001 0.000 0.283 240 L C 0.421 177.223 176.870 -0.113 0.000 1.151 240 L CA 0.257 55.115 54.840 0.030 0.000 0.942 240 L CB 0.182 42.326 42.059 0.142 0.000 1.283 240 L HN 0.523 nan 8.230 nan 0.000 0.442 241 D N -1.142 119.049 120.400 -0.348 0.000 2.620 241 D HA 0.149 4.789 4.640 0.001 0.000 0.260 241 D C -0.043 175.782 176.300 -0.792 0.000 1.367 241 D CA -0.248 53.263 54.000 -0.815 0.000 0.805 241 D CB 0.445 40.969 40.800 -0.460 0.000 1.096 241 D HN 0.212 nan 8.370 nan 0.000 0.488 242 T N 0.164 114.408 114.554 -0.517 0.000 2.916 242 T HA 0.515 4.865 4.350 0.001 0.000 0.298 242 T C -1.172 173.472 174.700 -0.093 0.000 1.031 242 T CA -0.829 61.052 62.100 -0.365 0.000 0.993 242 T CB 2.586 71.043 68.868 -0.684 0.000 1.045 242 T HN 0.082 nan 8.240 nan 0.000 0.454 243 R N 2.190 122.781 120.500 0.152 0.000 2.532 243 R HA 0.458 4.799 4.340 0.001 0.000 0.297 243 R C -1.226 175.234 176.300 0.267 0.000 0.984 243 R CA -0.781 55.492 56.100 0.288 0.000 0.884 243 R CB 0.797 31.291 30.300 0.324 0.000 1.182 243 R HN 0.428 nan 8.270 nan 0.000 0.442 244 K N 5.613 126.233 120.400 0.367 0.000 2.367 244 K HA 0.301 4.621 4.320 0.001 0.000 0.263 244 K C -0.869 175.888 176.600 0.262 0.000 1.000 244 K CA -0.620 55.814 56.287 0.246 0.000 0.891 244 K CB 1.850 34.533 32.500 0.306 0.000 1.117 244 K HN 0.489 nan 8.250 nan 0.000 0.443 245 L N 4.537 125.796 121.223 0.060 0.000 2.282 245 L HA 0.402 4.742 4.340 0.001 0.000 0.288 245 L C -1.302 175.490 176.870 -0.131 0.000 1.033 245 L CA -0.804 54.075 54.840 0.064 0.000 0.807 245 L CB 0.523 42.633 42.059 0.084 0.000 1.209 245 L HN 0.595 nan 8.230 nan 0.000 0.423 246 Y N 3.253 123.535 120.300 -0.029 0.000 2.338 246 Y HA 0.327 4.878 4.550 0.001 0.000 0.328 246 Y C 0.233 175.980 175.900 -0.254 0.000 0.965 246 Y CA -0.468 57.559 58.100 -0.121 0.000 1.208 246 Y CB 2.038 40.456 38.460 -0.070 0.000 1.132 246 Y HN 0.462 nan 8.280 nan 0.000 0.469 247 S N 3.593 119.090 115.700 -0.338 0.000 2.566 247 S HA 0.654 5.124 4.470 0.001 0.000 0.298 247 S C -1.070 173.260 174.600 -0.450 0.000 1.083 247 S CA -0.609 57.332 58.200 -0.432 0.000 0.978 247 S CB 1.346 64.189 63.200 -0.594 0.000 1.073 247 S HN 0.745 nan 8.310 nan 0.000 0.491 248 Q N 1.033 120.637 119.800 -0.327 0.000 2.511 248 Q HA 0.769 5.109 4.340 0.001 0.000 0.289 248 Q C -1.824 173.947 176.000 -0.383 0.000 1.021 248 Q CA -0.892 54.708 55.803 -0.338 0.000 0.785 248 Q CB 1.603 30.273 28.738 -0.113 0.000 1.472 248 Q HN 0.452 nan 8.270 nan 0.000 0.411 249 S N 0.432 115.743 115.700 -0.648 0.000 2.603 249 S HA 0.551 5.022 4.470 0.001 0.000 0.274 249 S C -1.896 172.350 174.600 -0.589 0.000 1.168 249 S CA -0.652 57.217 58.200 -0.552 0.000 0.963 249 S CB 0.619 63.336 63.200 -0.806 0.000 1.078 249 S HN 0.543 nan 8.310 nan 0.000 0.477 250 W N 1.697 122.971 121.300 -0.042 0.000 2.706 250 W HA 0.644 5.305 4.660 0.001 0.000 0.346 250 W C -0.370 176.223 176.519 0.124 0.000 1.071 250 W CA -0.311 57.065 57.345 0.052 0.000 1.206 250 W CB 1.205 30.731 29.460 0.110 0.000 1.413 250 W HN 0.747 nan 8.180 nan 0.000 0.542 251 D N 0.206 120.834 120.400 0.379 0.000 2.639 251 D HA 0.779 5.420 4.640 0.001 0.000 0.271 251 D C -1.515 174.949 176.300 0.273 0.000 1.254 251 D CA -1.084 53.128 54.000 0.353 0.000 0.810 251 D CB 1.378 42.428 40.800 0.416 0.000 1.351 251 D HN 0.503 nan 8.370 nan 0.000 0.427 252 A N -0.269 122.580 122.820 0.050 0.000 2.574 252 A HA 0.926 5.247 4.320 0.001 0.000 0.297 252 A C -0.637 176.534 177.584 -0.689 0.000 1.062 252 A CA -0.224 51.568 52.037 -0.408 0.000 0.686 252 A CB 1.937 20.843 19.000 -0.155 0.000 1.285 252 A HN 1.163 nan 8.150 nan 0.000 0.403 253 G N 0.253 108.230 108.800 -1.371 0.000 2.720 253 G HA2 0.565 4.525 3.960 0.001 0.000 0.295 253 G HA3 0.565 4.525 3.960 0.001 0.000 0.295 253 G C -1.367 173.434 174.900 -0.166 0.000 1.437 253 G CA -0.659 44.117 45.100 -0.540 0.000 0.886 253 G HN 0.720 nan 8.290 nan 0.000 0.509 254 L N 0.533 121.827 121.223 0.119 0.000 2.334 254 L HA 0.678 5.019 4.340 0.001 0.000 0.277 254 L C 0.406 177.510 176.870 0.390 0.000 1.075 254 L CA -0.724 54.305 54.840 0.314 0.000 0.804 254 L CB 1.626 43.881 42.059 0.327 0.000 1.174 254 L HN 0.416 nan 8.230 nan 0.000 0.438 255 R N 1.420 122.175 120.500 0.424 0.000 2.686 255 R HA 0.429 4.769 4.340 0.001 0.000 0.283 255 R C -1.611 174.831 176.300 0.237 0.000 0.978 255 R CA -0.646 55.655 56.100 0.336 0.000 0.897 255 R CB 2.286 32.757 30.300 0.286 0.000 1.192 255 R HN 0.358 nan 8.270 nan 0.000 0.457 256 Y N 1.559 121.839 120.300 -0.033 0.000 2.328 256 Y HA 0.408 4.959 4.550 0.001 0.000 0.336 256 Y C -0.989 174.846 175.900 -0.109 0.000 0.960 256 Y CA -0.814 57.089 58.100 -0.329 0.000 1.134 256 Y CB 1.442 39.532 38.460 -0.615 0.000 1.166 256 Y HN 0.548 nan 8.280 nan 0.000 0.464 257 N N 3.764 122.101 118.700 -0.606 0.000 2.626 257 N HA 0.498 5.238 4.740 0.001 0.000 0.249 257 N C -0.465 174.745 175.510 -0.499 0.000 1.021 257 N CA -0.181 52.678 53.050 -0.318 0.000 0.886 257 N CB 1.028 39.423 38.487 -0.153 0.000 1.149 257 N HN 0.841 nan 8.380 nan 0.000 0.517 258 G N 0.369 109.007 108.800 -0.271 0.000 2.597 258 G HA2 0.187 4.148 3.960 0.001 0.000 0.317 258 G HA3 0.187 4.148 3.960 0.001 0.000 0.317 258 G C 0.479 175.366 174.900 -0.021 0.000 1.230 258 G CA -0.286 44.757 45.100 -0.096 0.000 0.996 258 G HN 0.389 nan 8.290 nan 0.000 0.490 259 E N -0.766 119.440 120.200 0.010 0.000 2.047 259 E HA -0.081 4.269 4.350 0.001 0.000 0.191 259 E C 2.228 178.831 176.600 0.005 0.000 0.987 259 E CA 0.924 57.327 56.400 0.005 0.000 0.799 259 E CB -0.001 29.706 29.700 0.010 0.000 0.752 259 E HN 0.211 nan 8.360 nan 0.000 0.449 260 L N -0.110 121.123 121.223 0.017 0.000 2.349 260 L HA 0.196 4.537 4.340 0.001 0.000 0.200 260 L C 1.138 177.997 176.870 -0.019 0.000 1.064 260 L CA 0.653 55.490 54.840 -0.005 0.000 0.821 260 L CB -0.456 41.600 42.059 -0.006 0.000 1.027 260 L HN -0.030 nan 8.230 nan 0.000 0.476 261 I N -0.807 119.774 120.570 0.019 0.000 2.498 261 I HA 0.378 4.548 4.170 0.001 0.000 0.301 261 I C -0.133 176.026 176.117 0.071 0.000 0.984 261 I CA -0.373 60.923 61.300 -0.007 0.000 1.204 261 I CB 1.177 39.157 38.000 -0.034 0.000 1.362 261 I HN -0.085 nan 8.210 nan 0.000 0.471 262 K N 2.784 123.165 120.400 -0.033 0.000 2.498 262 K HA 0.719 5.040 4.320 0.001 0.000 0.254 262 K C -1.294 175.371 176.600 0.108 0.000 0.933 262 K CA -0.787 55.537 56.287 0.061 0.000 0.806 262 K CB 2.440 34.884 32.500 -0.093 0.000 1.301 262 K HN 0.650 nan 8.250 nan 0.000 0.432 263 S N 1.588 117.507 115.700 0.364 0.000 2.541 263 S HA 0.353 4.824 4.470 0.001 0.000 0.271 263 S C -2.120 172.796 174.600 0.527 0.000 1.133 263 S CA -0.690 57.782 58.200 0.453 0.000 0.876 263 S CB 1.386 64.815 63.200 0.382 0.000 1.105 263 S HN 0.607 nan 8.310 nan 0.000 0.470 264 Q N 3.242 123.382 119.800 0.567 0.000 2.345 264 Q HA 0.668 5.009 4.340 0.001 0.000 0.275 264 Q C -1.847 174.436 176.000 0.470 0.000 1.063 264 Q CA -1.055 55.006 55.803 0.430 0.000 0.819 264 Q CB 1.853 30.749 28.738 0.264 0.000 1.356 264 Q HN 0.510 nan 8.270 nan 0.000 0.418 265 L N 4.604 126.036 121.223 0.349 0.000 2.415 265 L HA 0.594 4.935 4.340 0.001 0.000 0.268 265 L C -1.907 175.086 176.870 0.204 0.000 0.984 265 L CA -0.565 54.410 54.840 0.225 0.000 0.853 265 L CB 1.129 43.194 42.059 0.009 0.000 1.215 265 L HN 0.876 nan 8.230 nan 0.000 0.419 266 I N 4.397 125.112 120.570 0.243 0.000 2.468 266 I HA 0.247 4.418 4.170 0.001 0.000 0.284 266 I C 0.184 176.450 176.117 0.249 0.000 1.038 266 I CA -0.381 61.081 61.300 0.270 0.000 1.083 266 I CB 2.423 40.644 38.000 0.367 0.000 1.223 266 I HN 0.533 nan 8.210 nan 0.000 0.443 267 T N 1.694 116.368 114.554 0.199 0.000 2.875 267 T HA 0.731 5.082 4.350 0.001 0.000 0.284 267 T C -0.095 174.762 174.700 0.261 0.000 0.995 267 T CA -0.644 61.593 62.100 0.228 0.000 1.060 267 T CB 1.636 70.607 68.868 0.172 0.000 0.967 267 T HN 0.463 nan 8.240 nan 0.000 0.476 268 S N 1.160 117.037 115.700 0.295 0.000 2.564 268 S HA 0.645 5.115 4.470 0.001 0.000 0.274 268 S C -1.823 172.964 174.600 0.312 0.000 1.124 268 S CA -0.943 57.431 58.200 0.291 0.000 0.869 268 S CB 1.514 64.865 63.200 0.250 0.000 1.105 268 S HN 0.864 nan 8.310 nan 0.000 0.472 269 Y N 0.574 120.939 120.300 0.109 0.000 2.433 269 Y HA 0.706 5.257 4.550 0.001 0.000 0.337 269 Y C -1.126 174.769 175.900 -0.008 0.000 1.026 269 Y CA -0.355 57.725 58.100 -0.034 0.000 1.037 269 Y CB 1.924 40.374 38.460 -0.017 0.000 1.245 269 Y HN 0.643 nan 8.280 nan 0.000 0.443 270 S N 5.107 120.435 115.700 -0.621 0.000 2.571 270 S HA 0.370 4.841 4.470 0.001 0.000 0.284 270 S C -2.029 172.175 174.600 -0.659 0.000 1.128 270 S CA -0.548 57.358 58.200 -0.490 0.000 0.970 270 S CB 0.651 63.716 63.200 -0.225 0.000 1.039 270 S HN 0.833 nan 8.310 nan 0.000 0.485 271 H N 1.835 120.542 119.070 -0.605 0.000 2.689 271 H HA 0.621 5.178 4.556 0.001 0.000 0.346 271 H C -1.093 174.104 175.328 -0.219 0.000 1.037 271 H CA -0.534 55.261 56.048 -0.421 0.000 1.234 271 H CB 0.997 30.545 29.762 -0.356 0.000 1.572 271 H HN 0.628 nan 8.280 nan 0.000 0.524 272 S N 4.417 120.068 115.700 -0.081 0.000 2.547 272 S HA 0.455 4.925 4.470 0.001 0.000 0.281 272 S C -1.128 173.391 174.600 -0.136 0.000 1.118 272 S CA -1.174 56.934 58.200 -0.154 0.000 0.947 272 S CB 2.466 65.610 63.200 -0.093 0.000 1.053 272 S HN 0.605 nan 8.310 nan 0.000 0.482 273 K N 1.322 121.639 120.400 -0.137 0.000 2.244 273 K HA 0.513 4.834 4.320 0.001 0.000 0.260 273 K C -1.555 175.024 176.600 -0.036 0.000 0.951 273 K CA -0.575 55.630 56.287 -0.138 0.000 0.826 273 K CB 1.308 33.714 32.500 -0.156 0.000 1.108 273 K HN 0.590 nan 8.250 nan 0.000 0.433 274 D N 2.987 123.296 120.400 -0.151 0.000 2.440 274 D HA 0.165 4.805 4.640 0.001 0.000 0.252 274 D C -1.276 174.956 176.300 -0.114 0.000 1.180 274 D CA -0.487 53.497 54.000 -0.027 0.000 0.894 274 D CB 0.390 41.182 40.800 -0.013 0.000 1.111 274 D HN 0.292 nan 8.370 nan 0.000 0.544 275 Y N 1.758 122.134 120.300 0.127 0.000 2.304 275 Y HA 0.362 4.913 4.550 0.001 0.000 0.328 275 Y C 1.029 177.076 175.900 0.244 0.000 1.123 275 Y CA -0.351 57.834 58.100 0.142 0.000 1.218 275 Y CB 0.955 39.473 38.460 0.097 0.000 1.207 275 Y HN 0.162 nan 8.280 nan 0.000 0.495 276 N N 3.747 122.675 118.700 0.380 0.000 2.491 276 N HA 0.234 4.974 4.740 0.001 0.000 0.274 276 N C -1.546 174.184 175.510 0.366 0.000 1.023 276 N CA -0.462 52.800 53.050 0.353 0.000 0.902 276 N CB 1.935 40.587 38.487 0.275 0.000 1.267 276 N HN 0.684 nan 8.380 nan 0.000 0.503 277 Y N -0.778 119.616 120.300 0.157 0.000 2.715 277 Y HA 0.578 5.129 4.550 0.001 0.000 0.331 277 Y C -1.452 174.502 175.900 0.090 0.000 1.197 277 Y CA -1.261 56.906 58.100 0.112 0.000 1.079 277 Y CB 1.027 39.536 38.460 0.082 0.000 1.298 277 Y HN 0.102 nan 8.280 nan 0.000 0.477 278 D N 1.539 122.053 120.400 0.190 0.000 2.381 278 D HA 0.437 5.078 4.640 0.001 0.000 0.235 278 D C -2.105 174.350 176.300 0.258 0.000 1.068 278 D CA -2.822 51.255 54.000 0.129 0.000 0.832 278 D CB 2.007 42.943 40.800 0.227 0.000 1.101 278 D HN 0.276 nan 8.370 nan 0.000 0.515 279 P HA -0.187 nan 4.420 nan 0.000 0.216 279 P C 0.655 177.994 177.300 0.065 0.000 1.154 279 P CA 1.506 64.653 63.100 0.077 0.000 0.865 279 P CB 0.122 31.727 31.700 -0.158 0.000 0.789 280 H N -3.181 115.987 119.070 0.163 0.000 2.423 280 H HA -0.070 4.487 4.556 0.001 0.000 0.297 280 H C 1.416 176.770 175.328 0.044 0.000 1.075 280 H CA 1.252 57.348 56.048 0.081 0.000 1.342 280 H CB -0.742 29.044 29.762 0.039 0.000 1.395 280 H HN 0.242 nan 8.280 nan 0.000 0.530 281 Y N -0.755 119.679 120.300 0.223 0.000 2.478 281 Y HA 0.264 4.814 4.550 0.001 0.000 0.261 281 Y C 1.642 177.633 175.900 0.152 0.000 1.127 281 Y CA 0.561 58.764 58.100 0.172 0.000 1.288 281 Y CB 1.001 39.557 38.460 0.160 0.000 1.084 281 Y HN 0.359 nan 8.280 nan 0.000 0.530 282 G N -0.656 108.321 108.800 0.294 0.000 1.894 282 G HA2 -0.058 3.903 3.960 0.001 0.000 0.076 282 G HA3 -0.058 3.903 3.960 0.001 0.000 0.076 282 G C 0.661 175.541 174.900 -0.034 0.000 0.954 282 G CA 0.048 45.245 45.100 0.161 0.000 1.214 282 G HN 0.019 nan 8.290 nan 0.000 0.409 283 R N -2.544 117.856 120.500 -0.166 0.000 1.521 283 R HA -0.068 4.273 4.340 0.001 0.000 0.029 283 R C -0.671 175.296 176.300 -0.556 0.000 0.821 283 R CA 0.707 56.378 56.100 -0.715 0.000 3.543 283 R CB -0.798 28.732 30.300 -1.282 0.000 0.715 283 R HN 0.636 nan 8.270 nan 0.000 0.582 284 Y N 2.311 122.577 120.300 -0.057 0.000 2.726 284 Y HA 0.499 5.050 4.550 0.001 0.000 0.367 284 Y C -0.610 175.326 175.900 0.059 0.000 1.038 284 Y CA -0.798 57.320 58.100 0.030 0.000 1.174 284 Y CB 0.806 39.260 38.460 -0.010 0.000 1.265 284 Y HN -0.041 nan 8.280 nan 0.000 0.622 285 D N -0.054 120.453 120.400 0.177 0.000 2.977 285 D HA 0.084 4.724 4.640 0.001 0.000 0.220 285 D C 0.849 177.234 176.300 0.142 0.000 1.267 285 D CA -0.114 53.990 54.000 0.173 0.000 0.884 285 D CB 1.966 42.893 40.800 0.212 0.000 1.667 285 D HN 0.266 nan 8.370 nan 0.000 0.536 286 S N 2.148 117.920 115.700 0.120 0.000 2.423 286 S HA -0.268 4.202 4.470 0.001 0.000 0.238 286 S C 1.702 176.347 174.600 0.076 0.000 1.028 286 S CA 1.937 60.191 58.200 0.090 0.000 1.000 286 S CB -0.620 62.624 63.200 0.074 0.000 0.797 286 S HN 0.506 nan 8.310 nan 0.000 0.487 287 S N 3.007 118.747 115.700 0.067 0.000 2.370 287 S HA 0.156 4.627 4.470 0.001 0.000 0.226 287 S C 1.165 175.819 174.600 0.090 0.000 1.033 287 S CA 0.516 58.737 58.200 0.035 0.000 1.011 287 S CB -1.207 61.955 63.200 -0.063 0.000 0.852 287 S HN 0.991 nan 8.310 nan 0.000 0.457 288 A N 2.883 125.784 122.820 0.137 0.000 2.511 288 A HA 0.460 4.780 4.320 0.001 0.000 0.242 288 A C 0.785 178.446 177.584 0.128 0.000 1.069 288 A CA 0.054 52.199 52.037 0.179 0.000 0.763 288 A CB -0.200 18.926 19.000 0.210 0.000 1.001 288 A HN 0.575 nan 8.150 nan 0.000 0.498 289 T N 0.054 114.682 114.554 0.122 0.000 2.928 289 T HA 0.601 4.951 4.350 0.001 0.000 0.284 289 T C -0.537 174.154 174.700 -0.014 0.000 1.008 289 T CA -0.618 61.500 62.100 0.029 0.000 1.057 289 T CB 1.202 70.070 68.868 0.000 0.000 1.018 289 T HN 1.222 nan 8.240 nan 0.000 0.493 290 L N 1.342 122.490 121.223 -0.125 0.000 2.516 290 L HA 0.604 4.945 4.340 0.001 0.000 0.267 290 L C -2.127 174.605 176.870 -0.230 0.000 0.957 290 L CA -0.489 54.192 54.840 -0.264 0.000 0.860 290 L CB 2.152 44.010 42.059 -0.335 0.000 1.265 290 L HN 0.632 nan 8.230 nan 0.000 0.403 291 D N 4.010 124.274 120.400 -0.226 0.000 2.414 291 D HA 0.378 5.019 4.640 0.001 0.000 0.232 291 D C -0.882 175.338 176.300 -0.134 0.000 1.070 291 D CA 0.153 54.061 54.000 -0.154 0.000 0.839 291 D CB 1.677 42.405 40.800 -0.119 0.000 1.079 291 D HN 0.631 nan 8.370 nan 0.000 0.521 292 E N 2.888 123.035 120.200 -0.088 0.000 2.176 292 E HA 0.457 4.808 4.350 0.001 0.000 0.267 292 E C -1.124 175.491 176.600 0.025 0.000 0.893 292 E CA -0.769 55.611 56.400 -0.033 0.000 0.761 292 E CB 1.171 30.862 29.700 -0.015 0.000 1.133 292 E HN 0.144 nan 8.360 nan 0.000 0.409 293 M N 3.769 123.400 119.600 0.051 0.000 2.393 293 M HA 0.410 4.890 4.480 0.001 0.000 0.299 293 M C -1.733 174.589 176.300 0.037 0.000 1.103 293 M CA -0.621 54.703 55.300 0.040 0.000 0.910 293 M CB 2.052 34.658 32.600 0.011 0.000 1.659 293 M HN 0.552 nan 8.290 nan 0.000 0.445 294 K N 3.104 123.504 120.400 0.000 0.000 2.535 294 K HA 0.370 4.690 4.320 0.001 0.000 0.253 294 K C -0.977 175.543 176.600 -0.134 0.000 0.953 294 K CA -0.416 55.782 56.287 -0.149 0.000 0.863 294 K CB 2.449 34.892 32.500 -0.095 0.000 1.111 294 K HN 0.626 nan 8.250 nan 0.000 0.431 295 Q N 2.787 122.435 119.800 -0.253 0.000 2.278 295 Q HA 0.289 4.629 4.340 0.001 0.000 0.257 295 Q C -1.404 174.488 176.000 -0.179 0.000 0.928 295 Q CA -0.610 55.127 55.803 -0.111 0.000 0.932 295 Q CB 0.804 29.500 28.738 -0.070 0.000 1.221 295 Q HN 0.421 nan 8.270 nan 0.000 0.434 296 Y N 0.922 121.243 120.300 0.035 0.000 2.393 296 Y HA 0.496 5.047 4.550 0.001 0.000 0.341 296 Y C -0.131 175.813 175.900 0.073 0.000 0.988 296 Y CA -0.732 57.458 58.100 0.150 0.000 1.078 296 Y CB 2.452 41.065 38.460 0.255 0.000 1.203 296 Y HN 0.399 nan 8.280 nan 0.000 0.453 297 T N 2.691 117.470 114.554 0.376 0.000 2.952 297 T HA 0.650 5.001 4.350 0.001 0.000 0.305 297 T C -1.344 173.628 174.700 0.452 0.000 1.064 297 T CA -0.677 61.627 62.100 0.338 0.000 1.008 297 T CB 1.577 70.586 68.868 0.234 0.000 1.078 297 T HN 0.328 nan 8.240 nan 0.000 0.459 298 V N 3.346 123.579 119.914 0.531 0.000 2.638 298 V HA 0.552 4.672 4.120 0.001 0.000 0.306 298 V C -0.700 175.622 176.094 0.381 0.000 1.052 298 V CA -0.782 61.766 62.300 0.414 0.000 0.885 298 V CB 2.020 34.055 31.823 0.352 0.000 0.999 298 V HN 0.821 nan 8.190 nan 0.000 0.424 299 Q N 2.961 122.960 119.800 0.331 0.000 2.347 299 Q HA 0.460 4.801 4.340 0.001 0.000 0.271 299 Q C -1.869 174.375 176.000 0.407 0.000 1.064 299 Q CA -0.663 55.354 55.803 0.357 0.000 0.800 299 Q CB 3.168 32.102 28.738 0.327 0.000 1.304 299 Q HN 0.718 nan 8.270 nan 0.000 0.438 300 W N 2.478 123.893 121.300 0.191 0.000 2.543 300 W HA 0.694 5.354 4.660 0.001 0.000 0.318 300 W C -1.637 174.988 176.519 0.177 0.000 1.002 300 W CA -0.870 56.574 57.345 0.166 0.000 1.302 300 W CB 0.917 30.446 29.460 0.115 0.000 1.299 300 W HN 0.661 nan 8.180 nan 0.000 0.424 301 A N 5.107 128.194 122.820 0.446 0.000 2.337 301 A HA 0.877 5.197 4.320 0.001 0.000 0.331 301 A C -1.087 176.698 177.584 0.334 0.000 1.137 301 A CA -0.612 51.633 52.037 0.347 0.000 0.807 301 A CB 1.172 20.431 19.000 0.432 0.000 1.250 301 A HN 0.659 nan 8.150 nan 0.000 0.468 302 N N 0.729 119.526 118.700 0.161 0.000 2.484 302 N HA 0.507 5.248 4.740 0.001 0.000 0.269 302 N C -1.605 173.716 175.510 -0.315 0.000 1.237 302 N CA -0.780 52.210 53.050 -0.100 0.000 0.838 302 N CB 1.894 40.191 38.487 -0.317 0.000 1.593 302 N HN 0.661 nan 8.380 nan 0.000 0.485 303 N N 0.939 119.330 118.700 -0.514 0.000 2.452 303 N HA 0.405 5.146 4.740 0.001 0.000 0.277 303 N C -2.044 173.257 175.510 -0.350 0.000 1.078 303 N CA -0.328 52.392 53.050 -0.551 0.000 0.947 303 N CB 1.748 39.564 38.487 -1.118 0.000 1.655 303 N HN 0.287 nan 8.380 nan 0.000 0.490 304 V N 1.650 121.432 119.914 -0.220 0.000 2.864 304 V HA 0.623 4.743 4.120 0.001 0.000 0.314 304 V C 0.674 176.703 176.094 -0.110 0.000 1.073 304 V CA -0.949 61.264 62.300 -0.144 0.000 0.956 304 V CB 1.879 33.640 31.823 -0.104 0.000 1.023 304 V HN 0.522 nan 8.190 nan 0.000 0.435 305 I N 2.519 123.040 120.570 -0.081 0.000 2.416 305 I HA 0.376 4.547 4.170 0.001 0.000 0.288 305 I C -0.610 175.475 176.117 -0.053 0.000 1.051 305 I CA -0.098 61.167 61.300 -0.058 0.000 1.375 305 I CB 1.440 39.412 38.000 -0.047 0.000 1.407 305 I HN 0.364 nan 8.210 nan 0.000 0.516 306 V N 6.481 126.370 119.914 -0.042 0.000 2.525 306 V HA 0.587 4.707 4.120 0.001 0.000 0.299 306 V C 0.713 176.787 176.094 -0.034 0.000 1.034 306 V CA -0.069 62.208 62.300 -0.038 0.000 0.863 306 V CB 0.925 32.731 31.823 -0.029 0.000 0.999 306 V HN 1.101 nan 8.190 nan 0.000 0.423 307 G N 4.194 112.955 108.800 -0.064 0.000 2.614 307 G HA2 -0.281 3.679 3.960 0.001 0.000 0.303 307 G HA3 -0.281 3.679 3.960 0.001 0.000 0.303 307 G C 0.193 174.994 174.900 -0.165 0.000 1.270 307 G CA 0.362 45.403 45.100 -0.099 0.000 0.988 307 G HN 0.826 nan 8.290 nan 0.000 0.551 308 H N 2.591 121.682 119.070 0.034 0.000 2.680 308 H HA 0.501 5.057 4.556 0.001 0.000 0.224 308 H C 0.979 176.333 175.328 0.043 0.000 1.866 308 H CA 1.020 57.091 56.048 0.038 0.000 1.302 308 H CB -0.371 29.419 29.762 0.048 0.000 1.709 308 H HN 1.142 nan 8.280 nan 0.000 0.537 309 G N 0.103 108.957 108.800 0.090 0.000 2.399 309 G HA2 0.261 4.221 3.960 0.001 0.000 0.256 309 G HA3 0.261 4.221 3.960 0.001 0.000 0.256 309 G C -1.282 173.636 174.900 0.030 0.000 1.236 309 G CA -0.080 45.066 45.100 0.076 0.000 0.914 309 G HN 0.409 nan 8.290 nan 0.000 0.482 310 S N -1.439 114.276 115.700 0.026 0.000 2.643 310 S HA 0.800 5.271 4.470 0.001 0.000 0.270 310 S C -1.347 173.249 174.600 -0.007 0.000 1.166 310 S CA -0.848 57.346 58.200 -0.010 0.000 0.815 310 S CB 1.753 64.936 63.200 -0.028 0.000 1.139 310 S HN 1.050 nan 8.310 nan 0.000 0.472 311 I N 0.640 121.187 120.570 -0.039 0.000 2.533 311 I HA 0.678 4.849 4.170 0.001 0.000 0.290 311 I C 0.220 176.296 176.117 -0.069 0.000 1.056 311 I CA -0.721 60.558 61.300 -0.034 0.000 1.057 311 I CB 2.165 40.140 38.000 -0.042 0.000 1.240 311 I HN 0.937 nan 8.210 nan 0.000 0.423 312 G N 3.835 112.618 108.800 -0.028 0.000 2.473 312 G HA2 0.852 4.813 3.960 0.001 0.000 0.321 312 G HA3 0.852 4.813 3.960 0.001 0.000 0.321 312 G C -1.443 173.423 174.900 -0.058 0.000 1.200 312 G CA -0.744 44.335 45.100 -0.035 0.000 0.963 312 G HN 0.798 nan 8.290 nan 0.000 0.483 313 A N 0.112 122.824 122.820 -0.181 0.000 2.466 313 A HA 0.846 5.166 4.320 0.001 0.000 0.284 313 A C -0.047 177.188 177.584 -0.581 0.000 1.049 313 A CA 0.109 51.914 52.037 -0.386 0.000 0.760 313 A CB 1.261 20.082 19.000 -0.299 0.000 1.274 313 A HN 1.706 nan 8.150 nan 0.000 0.412 314 G N -0.112 108.008 108.800 -1.133 0.000 2.818 314 G HA2 0.730 4.691 3.960 0.001 0.000 0.286 314 G HA3 0.730 4.691 3.960 0.001 0.000 0.286 314 G C -1.315 173.299 174.900 -0.476 0.000 1.364 314 G CA -0.706 43.939 45.100 -0.758 0.000 0.938 314 G HN 1.298 nan 8.290 nan 0.000 0.490 315 V N 1.114 121.017 119.914 -0.019 0.000 2.686 315 V HA 0.558 4.678 4.120 0.001 0.000 0.306 315 V C -1.654 174.628 176.094 0.314 0.000 1.065 315 V CA -0.971 61.427 62.300 0.163 0.000 0.894 315 V CB 1.875 33.823 31.823 0.209 0.000 1.004 315 V HN 0.894 nan 8.190 nan 0.000 0.424 316 D N 2.001 122.607 120.400 0.342 0.000 2.629 316 D HA 0.369 5.010 4.640 0.001 0.000 0.250 316 D C -1.188 175.339 176.300 0.378 0.000 1.126 316 D CA -0.460 53.757 54.000 0.361 0.000 0.852 316 D CB 1.974 42.976 40.800 0.336 0.000 1.335 316 D HN 0.578 nan 8.370 nan 0.000 0.518 317 W N 1.996 123.405 121.300 0.182 0.000 2.520 317 W HA 0.470 5.131 4.660 0.001 0.000 0.323 317 W C -0.924 175.692 176.519 0.162 0.000 1.062 317 W CA -0.545 56.892 57.345 0.152 0.000 1.215 317 W CB 1.497 31.035 29.460 0.131 0.000 1.340 317 W HN 0.358 nan 8.180 nan 0.000 0.516 318 Q N 5.432 124.923 119.800 -0.515 0.000 2.285 318 Q HA 0.280 4.620 4.340 0.001 0.000 0.269 318 Q C -1.564 173.954 176.000 -0.803 0.000 1.030 318 Q CA -0.813 54.694 55.803 -0.493 0.000 0.788 318 Q CB 2.058 30.713 28.738 -0.139 0.000 1.266 318 Q HN 0.600 nan 8.270 nan 0.000 0.438 319 K N 3.026 122.984 120.400 -0.737 0.000 2.345 319 K HA 0.395 4.716 4.320 0.001 0.000 0.255 319 K C -1.321 175.262 176.600 -0.028 0.000 0.934 319 K CA -0.279 55.757 56.287 -0.418 0.000 0.801 319 K CB 1.627 33.820 32.500 -0.511 0.000 1.137 319 K HN 0.546 nan 8.250 nan 0.000 0.424 320 Q N 2.303 122.110 119.800 0.012 0.000 2.309 320 Q HA 0.240 4.580 4.340 0.001 0.000 0.270 320 Q C -1.295 174.767 176.000 0.102 0.000 1.023 320 Q CA -0.790 55.057 55.803 0.073 0.000 0.758 320 Q CB 2.285 31.049 28.738 0.044 0.000 1.247 320 Q HN 0.766 nan 8.270 nan 0.000 0.455 321 T N -0.803 113.836 114.554 0.143 0.000 2.855 321 T HA 0.727 5.078 4.350 0.001 0.000 0.281 321 T C 0.194 174.952 174.700 0.098 0.000 1.007 321 T CA -0.624 61.548 62.100 0.121 0.000 1.009 321 T CB 1.714 70.663 68.868 0.135 0.000 0.983 321 T HN 0.523 nan 8.240 nan 0.000 0.455 322 T N -0.655 113.954 114.554 0.090 0.000 2.927 322 T HA 0.697 5.047 4.350 0.001 0.000 0.286 322 T C -0.273 174.461 174.700 0.056 0.000 1.040 322 T CA -0.767 61.378 62.100 0.074 0.000 1.010 322 T CB 1.751 70.674 68.868 0.093 0.000 1.177 322 T HN 0.658 nan 8.240 nan 0.000 0.546 323 T N 2.275 116.852 114.554 0.038 0.000 2.855 323 T HA 0.576 4.927 4.350 0.001 0.000 0.281 323 T C -2.721 171.989 174.700 0.017 0.000 1.007 323 T CA -1.638 60.475 62.100 0.021 0.000 1.009 323 T CB 1.047 69.921 68.868 0.010 0.000 0.983 323 T HN 0.450 nan 8.240 nan 0.000 0.455 324 P HA 0.147 nan 4.420 nan 0.000 0.258 324 P C 0.821 178.127 177.300 0.009 0.000 1.172 324 P CA 1.206 64.315 63.100 0.015 0.000 0.762 324 P CB 0.132 31.836 31.700 0.007 0.000 0.764 325 G N 1.991 110.801 108.800 0.017 0.000 2.259 325 G HA2 -0.207 3.754 3.960 0.001 0.000 0.217 325 G HA3 -0.207 3.754 3.960 0.001 0.000 0.217 325 G C 0.321 175.170 174.900 -0.085 0.000 1.001 325 G CA -0.120 44.969 45.100 -0.019 0.000 0.627 325 G HN 0.556 nan 8.290 nan 0.000 0.501 326 T N 1.389 115.905 114.554 -0.062 0.000 2.902 326 T HA 0.444 4.794 4.350 0.001 0.000 0.301 326 T C 1.608 176.257 174.700 -0.085 0.000 1.012 326 T CA 1.571 63.614 62.100 -0.096 0.000 1.151 326 T CB 0.838 69.688 68.868 -0.029 0.000 0.946 326 T HN 1.996 nan 8.240 nan 0.000 0.542 327 G N 2.577 111.274 108.800 -0.172 0.000 2.203 327 G HA2 -0.351 3.609 3.960 0.001 0.000 0.263 327 G HA3 -0.351 3.609 3.960 0.001 0.000 0.263 327 G C 0.322 175.275 174.900 0.089 0.000 1.012 327 G CA 0.432 45.504 45.100 -0.048 0.000 0.749 327 G HN 1.002 nan 8.290 nan 0.000 0.512 328 Y N -4.545 115.790 120.300 0.058 0.000 3.790 328 Y HA -0.188 4.363 4.550 0.001 0.000 0.226 328 Y C 0.801 176.744 175.900 0.072 0.000 1.257 328 Y CA 0.579 58.713 58.100 0.058 0.000 1.765 328 Y CB -1.979 36.515 38.460 0.057 0.000 1.552 328 Y HN 0.497 nan 8.280 nan 0.000 0.650 329 V N 0.357 120.356 119.914 0.142 0.000 2.555 329 V HA 0.161 4.282 4.120 0.001 0.000 0.302 329 V C 1.291 177.477 176.094 0.152 0.000 1.038 329 V CA -0.787 61.617 62.300 0.172 0.000 0.887 329 V CB 1.938 33.877 31.823 0.194 0.000 0.991 329 V HN 0.352 nan 8.190 nan 0.000 0.434 330 E N 2.183 122.481 120.200 0.163 0.000 2.023 330 E HA -0.131 4.219 4.350 0.001 0.000 0.196 330 E C 0.191 176.850 176.600 0.098 0.000 1.003 330 E CA 1.416 57.886 56.400 0.116 0.000 0.809 330 E CB 0.265 30.033 29.700 0.113 0.000 0.755 330 E HN 0.826 nan 8.360 nan 0.000 0.449 331 D N -0.997 119.480 120.400 0.128 0.000 2.387 331 D HA 0.312 4.952 4.640 0.001 0.000 0.255 331 D C 0.103 176.423 176.300 0.034 0.000 1.081 331 D CA -0.365 53.644 54.000 0.014 0.000 0.994 331 D CB 1.041 41.765 40.800 -0.126 0.000 1.127 331 D HN 0.079 nan 8.370 nan 0.000 0.513 332 G N -0.281 108.472 108.800 -0.077 0.000 2.356 332 G HA2 0.436 4.397 3.960 0.001 0.000 0.298 332 G HA3 0.436 4.397 3.960 0.001 0.000 0.298 332 G C -1.240 173.546 174.900 -0.189 0.000 1.145 332 G CA -0.270 44.811 45.100 -0.033 0.000 0.850 332 G HN 0.295 nan 8.290 nan 0.000 0.487 333 Y N 0.081 120.338 120.300 -0.072 0.000 2.602 333 Y HA 0.482 5.032 4.550 0.001 0.000 0.330 333 Y C -0.107 175.764 175.900 -0.048 0.000 1.114 333 Y CA -0.765 57.264 58.100 -0.118 0.000 1.182 333 Y CB 2.705 41.037 38.460 -0.212 0.000 1.305 333 Y HN 0.431 nan 8.280 nan 0.000 0.502 334 D N 1.286 121.755 120.400 0.115 0.000 2.346 334 D HA 0.169 4.810 4.640 0.001 0.000 0.255 334 D C -1.402 174.954 176.300 0.093 0.000 1.276 334 D CA -0.432 53.613 54.000 0.075 0.000 0.941 334 D CB 0.588 41.402 40.800 0.023 0.000 1.199 334 D HN 0.558 nan 8.370 nan 0.000 0.537 335 Q N 2.070 121.931 119.800 0.101 0.000 2.293 335 Q HA 0.544 4.884 4.340 0.001 0.000 0.251 335 Q C 0.024 176.026 176.000 0.003 0.000 0.930 335 Q CA -0.240 55.613 55.803 0.085 0.000 0.893 335 Q CB 1.876 30.678 28.738 0.108 0.000 1.215 335 Q HN 0.233 nan 8.270 nan 0.000 0.425 336 R N 2.059 122.550 120.500 -0.015 0.000 2.673 336 R HA 0.460 4.801 4.340 0.001 0.000 0.281 336 R C -1.096 175.153 176.300 -0.084 0.000 0.991 336 R CA -0.797 55.243 56.100 -0.100 0.000 0.896 336 R CB 1.731 32.021 30.300 -0.017 0.000 1.201 336 R HN 0.577 nan 8.270 nan 0.000 0.457 337 N N 1.314 119.926 118.700 -0.146 0.000 2.454 337 N HA 0.238 4.979 4.740 0.001 0.000 0.291 337 N C -1.660 173.870 175.510 0.034 0.000 1.079 337 N CA -0.150 52.876 53.050 -0.040 0.000 0.893 337 N CB 2.404 40.894 38.487 0.005 0.000 1.512 337 N HN 0.435 nan 8.380 nan 0.000 0.497 338 T N 1.251 115.887 114.554 0.137 0.000 2.794 338 T HA 0.674 5.025 4.350 0.001 0.000 0.280 338 T C 0.230 175.046 174.700 0.194 0.000 0.987 338 T CA -0.582 61.665 62.100 0.244 0.000 0.993 338 T CB 1.593 70.633 68.868 0.288 0.000 0.939 338 T HN 0.509 nan 8.240 nan 0.000 0.449 339 G N 1.603 110.541 108.800 0.228 0.000 2.524 339 G HA2 0.761 4.721 3.960 0.001 0.000 0.310 339 G HA3 0.761 4.721 3.960 0.001 0.000 0.310 339 G C -1.555 173.475 174.900 0.217 0.000 1.279 339 G CA -0.625 44.611 45.100 0.226 0.000 0.974 339 G HN 0.822 nan 8.290 nan 0.000 0.484 340 I N 1.228 121.906 120.570 0.180 0.000 2.619 340 I HA 0.738 4.908 4.170 0.001 0.000 0.292 340 I C -1.324 174.875 176.117 0.136 0.000 1.100 340 I CA -1.278 60.078 61.300 0.093 0.000 1.043 340 I CB 1.918 39.937 38.000 0.031 0.000 1.239 340 I HN 0.693 nan 8.210 nan 0.000 0.420 341 Y N 5.776 126.105 120.300 0.048 0.000 2.638 341 Y HA 0.855 5.405 4.550 0.001 0.000 0.339 341 Y C -2.208 173.701 175.900 0.014 0.000 1.084 341 Y CA -1.395 56.728 58.100 0.038 0.000 1.068 341 Y CB 1.134 39.616 38.460 0.037 0.000 1.294 341 Y HN 0.430 nan 8.280 nan 0.000 0.480 342 L N 1.088 122.461 121.223 0.250 0.000 2.422 342 L HA 0.741 5.082 4.340 0.001 0.000 0.264 342 L C -0.552 176.458 176.870 0.232 0.000 0.984 342 L CA -0.247 54.675 54.840 0.137 0.000 0.819 342 L CB 2.628 44.723 42.059 0.060 0.000 1.330 342 L HN 0.984 nan 8.230 nan 0.000 0.410 343 T N 1.083 115.741 114.554 0.173 0.000 2.907 343 T HA 0.881 5.231 4.350 0.001 0.000 0.292 343 T C -0.722 174.032 174.700 0.090 0.000 1.043 343 T CA -0.499 61.691 62.100 0.149 0.000 1.003 343 T CB 1.838 70.814 68.868 0.180 0.000 1.084 343 T HN 0.769 nan 8.240 nan 0.000 0.483 344 G N 1.913 110.766 108.800 0.089 0.000 2.682 344 G HA2 0.707 4.668 3.960 0.001 0.000 0.300 344 G HA3 0.707 4.668 3.960 0.001 0.000 0.300 344 G C -2.074 172.881 174.900 0.092 0.000 1.391 344 G CA -0.364 44.781 45.100 0.074 0.000 0.990 344 G HN 0.716 nan 8.290 nan 0.000 0.501 345 L N 0.934 122.209 121.223 0.087 0.000 2.526 345 L HA 0.671 5.012 4.340 0.001 0.000 0.263 345 L C -1.743 175.202 176.870 0.125 0.000 0.943 345 L CA -0.757 54.149 54.840 0.111 0.000 0.859 345 L CB 2.556 44.668 42.059 0.088 0.000 1.313 345 L HN 0.619 nan 8.230 nan 0.000 0.406 346 Q N 2.678 122.587 119.800 0.181 0.000 2.331 346 Q HA 0.339 4.680 4.340 0.001 0.000 0.249 346 Q C -1.628 174.515 176.000 0.239 0.000 0.913 346 Q CA -0.349 55.577 55.803 0.205 0.000 0.874 346 Q CB 2.274 31.133 28.738 0.202 0.000 1.384 346 Q HN 0.548 nan 8.270 nan 0.000 0.427 347 Q N 1.162 121.071 119.800 0.182 0.000 2.296 347 Q HA 0.632 4.973 4.340 0.001 0.000 0.257 347 Q C -0.871 175.220 176.000 0.151 0.000 0.942 347 Q CA -0.584 55.293 55.803 0.124 0.000 0.939 347 Q CB 2.076 30.850 28.738 0.059 0.000 1.198 347 Q HN 0.447 nan 8.270 nan 0.000 0.429 348 V N 1.752 121.775 119.914 0.181 0.000 2.525 348 V HA 0.825 4.945 4.120 0.001 0.000 0.299 348 V C 0.452 176.687 176.094 0.235 0.000 1.034 348 V CA 0.557 62.971 62.300 0.190 0.000 0.863 348 V CB 0.651 32.609 31.823 0.225 0.000 0.999 348 V HN 0.950 nan 8.190 nan 0.000 0.423 349 G N 5.745 114.642 108.800 0.161 0.000 2.596 349 G HA2 -0.302 3.659 3.960 0.001 0.000 0.304 349 G HA3 -0.302 3.659 3.960 0.001 0.000 0.304 349 G C 0.306 175.301 174.900 0.158 0.000 1.189 349 G CA 0.758 45.977 45.100 0.199 0.000 0.986 349 G HN 1.065 nan 8.290 nan 0.000 0.548 350 D N 0.553 121.088 120.400 0.225 0.000 2.398 350 D HA 0.284 4.924 4.640 0.001 0.000 0.210 350 D C 0.347 176.712 176.300 0.107 0.000 1.094 350 D CA -0.021 54.014 54.000 0.058 0.000 0.839 350 D CB 0.278 41.009 40.800 -0.116 0.000 0.963 350 D HN 0.188 nan 8.370 nan 0.000 0.506 351 F N 1.695 121.728 119.950 0.137 0.000 2.382 351 F HA 0.312 4.840 4.527 0.001 0.000 0.331 351 F C 1.170 176.778 175.800 -0.320 0.000 1.121 351 F CA -0.017 57.932 58.000 -0.086 0.000 1.183 351 F CB 1.101 39.929 39.000 -0.287 0.000 1.207 351 F HN -0.388 nan 8.300 nan 0.000 0.555 352 T N 2.431 116.783 114.554 -0.337 0.000 2.893 352 T HA 0.589 4.940 4.350 0.001 0.000 0.293 352 T C -1.244 173.160 174.700 -0.493 0.000 1.027 352 T CA -0.597 61.313 62.100 -0.315 0.000 0.988 352 T CB 0.885 69.680 68.868 -0.121 0.000 1.043 352 T HN 0.254 nan 8.240 nan 0.000 0.461 353 F N 1.781 121.792 119.950 0.101 0.000 2.610 353 F HA 0.403 4.931 4.527 0.001 0.000 0.355 353 F C 0.360 176.200 175.800 0.066 0.000 1.140 353 F CA -1.003 57.046 58.000 0.081 0.000 1.037 353 F CB 1.462 40.505 39.000 0.070 0.000 1.287 353 F HN 0.542 nan 8.300 nan 0.000 0.457 354 E N 2.562 122.885 120.200 0.206 0.000 2.248 354 E HA 0.807 5.158 4.350 0.001 0.000 0.272 354 E C -0.352 176.349 176.600 0.169 0.000 1.008 354 E CA -0.603 55.889 56.400 0.153 0.000 0.856 354 E CB 1.782 31.539 29.700 0.096 0.000 1.120 354 E HN 0.718 nan 8.360 nan 0.000 0.397 355 G N 0.796 109.686 108.800 0.150 0.000 2.708 355 G HA2 0.739 4.700 3.960 0.001 0.000 0.289 355 G HA3 0.739 4.700 3.960 0.001 0.000 0.289 355 G C -1.627 173.363 174.900 0.150 0.000 1.416 355 G CA -0.398 44.803 45.100 0.169 0.000 0.829 355 G HN 0.753 nan 8.290 nan 0.000 0.480 356 A N -1.408 121.523 122.820 0.186 0.000 2.612 356 A HA 1.029 5.349 4.320 0.001 0.000 0.293 356 A C -0.805 176.917 177.584 0.230 0.000 1.075 356 A CA 0.051 52.191 52.037 0.172 0.000 0.680 356 A CB 1.475 20.542 19.000 0.111 0.000 1.279 356 A HN 2.476 nan 8.150 nan 0.000 0.411 357 A N 0.809 123.756 122.820 0.211 0.000 2.517 357 A HA 0.852 5.172 4.320 0.001 0.000 0.297 357 A C -0.714 176.996 177.584 0.210 0.000 1.050 357 A CA -0.423 51.747 52.037 0.222 0.000 0.694 357 A CB 1.403 20.498 19.000 0.159 0.000 1.277 357 A HN 1.003 nan 8.150 nan 0.000 0.400 358 R N 0.779 121.403 120.500 0.207 0.000 2.686 358 R HA 0.696 5.037 4.340 0.001 0.000 0.283 358 R C -1.087 175.308 176.300 0.159 0.000 0.978 358 R CA -0.244 55.985 56.100 0.214 0.000 0.897 358 R CB 2.095 32.536 30.300 0.236 0.000 1.192 358 R HN 0.737 nan 8.270 nan 0.000 0.457 359 S N 1.869 117.654 115.700 0.140 0.000 2.478 359 S HA 0.345 4.815 4.470 0.001 0.000 0.312 359 S C -1.353 173.329 174.600 0.136 0.000 1.094 359 S CA -0.734 57.530 58.200 0.106 0.000 1.081 359 S CB 1.030 64.270 63.200 0.068 0.000 1.007 359 S HN 0.567 nan 8.310 nan 0.000 0.475 360 D N 2.348 122.833 120.400 0.142 0.000 2.181 360 D HA 0.460 5.101 4.640 0.001 0.000 0.248 360 D C -1.075 175.258 176.300 0.055 0.000 1.020 360 D CA -0.376 53.712 54.000 0.147 0.000 0.891 360 D CB 0.967 41.915 40.800 0.247 0.000 1.187 360 D HN 0.314 nan 8.370 nan 0.000 0.443 361 D N 0.890 121.298 120.400 0.012 0.000 2.505 361 D HA 0.226 4.866 4.640 0.001 0.000 0.250 361 D C -1.445 174.758 176.300 -0.161 0.000 1.164 361 D CA -0.629 53.332 54.000 -0.065 0.000 0.870 361 D CB 0.940 41.747 40.800 0.011 0.000 1.160 361 D HN 0.295 nan 8.370 nan 0.000 0.549 362 N N 1.884 120.330 118.700 -0.423 0.000 2.446 362 N HA 0.135 4.876 4.740 0.001 0.000 0.265 362 N C 1.113 176.428 175.510 -0.326 0.000 0.975 362 N CA -0.341 52.389 53.050 -0.533 0.000 0.928 362 N CB 1.231 38.866 38.487 -1.419 0.000 1.160 362 N HN 0.063 nan 8.380 nan 0.000 0.495 363 S N 1.838 117.465 115.700 -0.122 0.000 2.461 363 S HA -0.330 4.140 4.470 0.001 0.000 0.266 363 S C 1.514 176.129 174.600 0.026 0.000 1.138 363 S CA 1.968 60.160 58.200 -0.013 0.000 1.146 363 S CB -0.261 62.964 63.200 0.041 0.000 1.042 363 S HN 0.805 nan 8.310 nan 0.000 0.448 364 Q N -0.638 119.187 119.800 0.042 0.000 2.200 364 Q HA 0.010 4.351 4.340 0.001 0.000 0.197 364 Q C 1.530 177.628 176.000 0.163 0.000 0.953 364 Q CA 1.188 57.084 55.803 0.154 0.000 0.851 364 Q CB 0.029 28.915 28.738 0.247 0.000 0.938 364 Q HN 0.747 nan 8.270 nan 0.000 0.488 365 F N -0.934 119.058 119.950 0.070 0.000 2.668 365 F HA 0.581 5.108 4.527 0.001 0.000 0.301 365 F C 0.878 176.709 175.800 0.051 0.000 1.106 365 F CA -0.025 58.004 58.000 0.049 0.000 1.289 365 F CB -0.079 38.935 39.000 0.024 0.000 1.006 365 F HN 0.186 nan 8.300 nan 0.000 0.535 366 G N 2.179 110.894 108.800 -0.141 0.000 2.614 366 G HA2 -0.314 3.646 3.960 0.001 0.000 0.303 366 G HA3 -0.314 3.646 3.960 0.001 0.000 0.303 366 G C -0.016 174.807 174.900 -0.128 0.000 1.270 366 G CA 0.305 45.351 45.100 -0.090 0.000 0.988 366 G HN 0.627 nan 8.290 nan 0.000 0.551 367 R N 0.130 120.660 120.500 0.050 0.000 2.598 367 R HA 0.651 4.992 4.340 0.001 0.000 0.279 367 R C -0.317 176.123 176.300 0.233 0.000 0.984 367 R CA -0.610 55.543 56.100 0.088 0.000 0.999 367 R CB 1.557 31.894 30.300 0.063 0.000 1.114 367 R HN 0.717 nan 8.270 nan 0.000 0.493 368 H N 0.549 119.656 119.070 0.061 0.000 3.224 368 H HA 0.193 4.749 4.556 0.001 0.000 0.331 368 H C -0.992 174.319 175.328 -0.028 0.000 1.002 368 H CA -0.386 55.655 56.048 -0.010 0.000 1.473 368 H CB 1.573 31.250 29.762 -0.143 0.000 1.830 368 H HN 0.894 nan 8.280 nan 0.000 0.485 369 G N 2.638 111.262 108.800 -0.293 0.000 2.476 369 G HA2 0.469 4.430 3.960 0.001 0.000 0.269 369 G HA3 0.469 4.430 3.960 0.001 0.000 0.269 369 G C -0.530 174.244 174.900 -0.210 0.000 1.195 369 G CA -0.144 44.863 45.100 -0.156 0.000 0.843 369 G HN 0.559 nan 8.290 nan 0.000 0.545 370 T N -0.583 114.013 114.554 0.070 0.000 2.900 370 T HA 0.748 5.099 4.350 0.001 0.000 0.303 370 T C -0.994 173.914 174.700 0.347 0.000 1.142 370 T CA -0.869 61.343 62.100 0.188 0.000 1.007 370 T CB 2.060 71.073 68.868 0.240 0.000 1.156 370 T HN 1.089 nan 8.240 nan 0.000 0.490 371 W N 1.004 122.345 121.300 0.067 0.000 3.146 371 W HA 0.644 5.305 4.660 0.001 0.000 0.319 371 W C -2.125 174.449 176.519 0.092 0.000 1.258 371 W CA -1.159 56.231 57.345 0.075 0.000 1.189 371 W CB 0.920 30.421 29.460 0.068 0.000 1.412 371 W HN 0.993 nan 8.180 nan 0.000 0.567 372 Q N 1.296 121.169 119.800 0.122 0.000 2.456 372 Q HA 0.821 5.162 4.340 0.001 0.000 0.284 372 Q C -0.992 175.105 176.000 0.162 0.000 1.061 372 Q CA -0.905 54.849 55.803 -0.081 0.000 0.799 372 Q CB 2.832 31.525 28.738 -0.075 0.000 1.445 372 Q HN 0.506 nan 8.270 nan 0.000 0.411 373 T N -1.563 113.062 114.554 0.118 0.000 2.868 373 T HA 0.835 5.185 4.350 0.001 0.000 0.306 373 T C -0.872 173.914 174.700 0.144 0.000 1.224 373 T CA -0.687 61.538 62.100 0.208 0.000 1.012 373 T CB 1.680 70.750 68.868 0.337 0.000 1.221 373 T HN 0.936 nan 8.240 nan 0.000 0.499 374 S N -0.458 115.335 115.700 0.155 0.000 2.542 374 S HA 0.822 5.293 4.470 0.001 0.000 0.276 374 S C -0.970 173.708 174.600 0.129 0.000 1.148 374 S CA -0.984 57.279 58.200 0.104 0.000 0.886 374 S CB 1.239 64.463 63.200 0.040 0.000 1.109 374 S HN 1.584 nan 8.310 nan 0.000 0.458 375 A N 1.183 124.051 122.820 0.080 0.000 2.401 375 A HA 1.026 5.346 4.320 0.001 0.000 0.310 375 A C 0.185 177.703 177.584 -0.109 0.000 1.075 375 A CA -0.436 51.612 52.037 0.019 0.000 0.746 375 A CB 1.490 20.590 19.000 0.167 0.000 1.277 375 A HN 1.581 nan 8.150 nan 0.000 0.425 376 G N -1.082 107.632 108.800 -0.143 0.000 2.788 376 G HA2 0.607 4.568 3.960 0.001 0.000 0.293 376 G HA3 0.607 4.568 3.960 0.001 0.000 0.293 376 G C -1.893 173.031 174.900 0.040 0.000 1.305 376 G CA -0.582 44.450 45.100 -0.114 0.000 1.005 376 G HN 1.097 nan 8.290 nan 0.000 0.496 377 W N 0.414 121.625 121.300 -0.148 0.000 3.423 377 W HA 0.458 5.119 4.660 0.001 0.000 0.330 377 W C -0.810 175.641 176.519 -0.113 0.000 1.102 377 W CA -1.177 56.065 57.345 -0.172 0.000 1.261 377 W CB 1.300 30.698 29.460 -0.103 0.000 1.283 377 W HN 0.508 nan 8.180 nan 0.000 0.447 378 E N 5.220 125.195 120.200 -0.375 0.000 1.852 378 E HA 0.069 4.420 4.350 0.001 0.000 0.276 378 E C 1.163 177.227 176.600 -0.894 0.000 1.163 378 E CA -0.060 56.002 56.400 -0.564 0.000 1.117 378 E CB -0.217 29.261 29.700 -0.370 0.000 1.124 378 E HN 0.404 nan 8.360 nan 0.000 0.458 379 F N 2.135 121.535 119.950 -0.915 0.000 2.134 379 F HA 0.023 4.551 4.527 0.001 0.000 0.299 379 F C 0.560 176.018 175.800 -0.568 0.000 1.097 379 F CA 0.337 57.603 58.000 -1.222 0.000 1.264 379 F CB -0.298 38.044 39.000 -1.097 0.000 1.001 379 F HN 0.063 nan 8.300 nan 0.000 0.479 380 I N 0.230 120.408 120.570 -0.653 0.000 2.822 380 I HA 0.193 4.364 4.170 0.001 0.000 0.312 380 I C 0.160 176.080 176.117 -0.328 0.000 1.011 380 I CA -1.136 59.980 61.300 -0.307 0.000 1.105 380 I CB 1.500 39.400 38.000 -0.168 0.000 1.291 380 I HN 0.003 nan 8.210 nan 0.000 0.474 381 E N 2.017 122.118 120.200 -0.165 0.000 2.360 381 E HA 0.271 4.622 4.350 0.001 0.000 0.269 381 E C 0.857 177.417 176.600 -0.067 0.000 1.022 381 E CA 0.863 57.179 56.400 -0.139 0.000 0.887 381 E CB 0.479 30.125 29.700 -0.090 0.000 0.990 381 E HN 0.825 nan 8.360 nan 0.000 0.426 382 G N 3.310 112.002 108.800 -0.180 0.000 2.241 382 G HA2 -0.283 3.678 3.960 0.001 0.000 0.244 382 G HA3 -0.283 3.678 3.960 0.001 0.000 0.244 382 G C -0.584 173.973 174.900 -0.573 0.000 0.998 382 G CA 0.370 45.288 45.100 -0.305 0.000 0.621 382 G HN 0.512 nan 8.290 nan 0.000 0.519 383 Y N -0.246 119.794 120.300 -0.434 0.000 2.409 383 Y HA 0.846 5.396 4.550 0.001 0.000 0.343 383 Y C 0.483 175.916 175.900 -0.779 0.000 0.973 383 Y CA -1.103 56.680 58.100 -0.529 0.000 1.064 383 Y CB 1.924 40.121 38.460 -0.437 0.000 1.207 383 Y HN 0.245 nan 8.280 nan 0.000 0.452 384 R N 2.293 122.615 120.500 -0.297 0.000 2.621 384 R HA 0.534 4.875 4.340 0.001 0.000 0.284 384 R C -2.120 174.270 176.300 0.150 0.000 0.998 384 R CA -0.737 55.264 56.100 -0.166 0.000 0.895 384 R CB 1.298 31.481 30.300 -0.195 0.000 1.195 384 R HN 0.589 nan 8.270 nan 0.000 0.450 385 F N 5.784 125.781 119.950 0.079 0.000 2.411 385 F HA 0.620 5.147 4.527 0.001 0.000 0.352 385 F C -1.302 174.399 175.800 -0.165 0.000 1.123 385 F CA -0.784 57.014 58.000 -0.337 0.000 1.044 385 F CB 0.705 39.414 39.000 -0.484 0.000 1.135 385 F HN 0.374 nan 8.300 nan 0.000 0.461 386 I N 5.647 125.741 120.570 -0.793 0.000 2.441 386 I HA 0.736 4.906 4.170 0.001 0.000 0.295 386 I C -0.393 175.163 176.117 -0.935 0.000 0.994 386 I CA -0.684 60.187 61.300 -0.715 0.000 1.144 386 I CB 1.852 39.664 38.000 -0.313 0.000 1.314 386 I HN 0.810 nan 8.210 nan 0.000 0.445 387 A N 3.903 126.305 122.820 -0.697 0.000 2.401 387 A HA 0.951 5.271 4.320 0.001 0.000 0.310 387 A C -0.911 176.629 177.584 -0.072 0.000 1.075 387 A CA -0.471 51.385 52.037 -0.300 0.000 0.746 387 A CB 1.473 20.374 19.000 -0.165 0.000 1.277 387 A HN 0.629 nan 8.150 nan 0.000 0.425 388 S N 0.020 115.757 115.700 0.062 0.000 2.536 388 S HA 0.686 5.157 4.470 0.001 0.000 0.271 388 S C -1.388 173.317 174.600 0.175 0.000 1.134 388 S CA -0.514 57.738 58.200 0.087 0.000 0.897 388 S CB 1.235 64.458 63.200 0.038 0.000 1.094 388 S HN 0.927 nan 8.310 nan 0.000 0.473 389 Y N 0.354 120.634 120.300 -0.033 0.000 2.492 389 Y HA 0.731 5.281 4.550 0.001 0.000 0.346 389 Y C -0.213 175.534 175.900 -0.255 0.000 0.997 389 Y CA -0.022 58.017 58.100 -0.101 0.000 1.025 389 Y CB 1.939 40.310 38.460 -0.149 0.000 1.263 389 Y HN 1.128 nan 8.280 nan 0.000 0.454 390 G N 1.514 109.807 108.800 -0.845 0.000 2.646 390 G HA2 0.492 4.452 3.960 0.001 0.000 0.291 390 G HA3 0.492 4.452 3.960 0.001 0.000 0.291 390 G C -1.541 172.936 174.900 -0.705 0.000 1.445 390 G CA -0.557 44.122 45.100 -0.701 0.000 0.814 390 G HN 0.760 nan 8.290 nan 0.000 0.495 391 T N -1.695 112.562 114.554 -0.494 0.000 2.885 391 T HA 0.853 5.203 4.350 0.001 0.000 0.285 391 T C 0.056 174.723 174.700 -0.056 0.000 1.019 391 T CA -0.088 61.877 62.100 -0.226 0.000 1.010 391 T CB 1.695 70.511 68.868 -0.087 0.000 1.022 391 T HN 1.653 nan 8.240 nan 0.000 0.466 392 S N 1.177 116.894 115.700 0.029 0.000 2.570 392 S HA 0.790 5.261 4.470 0.001 0.000 0.270 392 S C -1.435 173.266 174.600 0.169 0.000 1.149 392 S CA -1.111 57.151 58.200 0.102 0.000 0.837 392 S CB 1.226 64.405 63.200 -0.035 0.000 1.124 392 S HN 1.345 nan 8.310 nan 0.000 0.465 393 Y N -0.795 119.492 120.300 -0.021 0.000 2.625 393 Y HA 0.874 5.424 4.550 0.001 0.000 0.338 393 Y C -1.320 174.516 175.900 -0.107 0.000 1.123 393 Y CA -1.167 56.879 58.100 -0.091 0.000 1.046 393 Y CB 1.263 39.668 38.460 -0.090 0.000 1.299 393 Y HN 0.774 nan 8.280 nan 0.000 0.464 394 K N 2.270 122.559 120.400 -0.184 0.000 2.323 394 K HA 0.797 5.118 4.320 0.001 0.000 0.259 394 K C -0.793 175.787 176.600 -0.032 0.000 0.947 394 K CA -0.374 55.797 56.287 -0.194 0.000 0.819 394 K CB 1.576 34.050 32.500 -0.042 0.000 1.109 394 K HN 1.023 nan 8.250 nan 0.000 0.429 395 A N 5.349 128.174 122.820 0.009 0.000 2.406 395 A HA 0.423 4.743 4.320 0.001 0.000 0.243 395 A C -2.139 175.436 177.584 -0.014 0.000 1.082 395 A CA -0.924 51.163 52.037 0.083 0.000 0.786 395 A CB -0.523 18.671 19.000 0.324 0.000 1.029 395 A HN 0.721 nan 8.150 nan 0.000 0.495 396 P HA 0.202 nan 4.420 nan 0.000 0.274 396 P C -1.078 176.190 177.300 -0.053 0.000 1.231 396 P CA -0.315 62.729 63.100 -0.094 0.000 0.790 396 P CB 0.625 32.244 31.700 -0.136 0.000 0.951 397 N N 0.816 119.452 118.700 -0.107 0.000 2.432 397 N HA 0.208 4.949 4.740 0.001 0.000 0.292 397 N C 1.306 176.757 175.510 -0.099 0.000 1.193 397 N CA -0.969 52.039 53.050 -0.069 0.000 0.878 397 N CB 0.238 38.693 38.487 -0.053 0.000 1.252 397 N HN 0.105 nan 8.380 nan 0.000 0.520 398 L N -0.401 120.810 121.223 -0.020 0.000 2.040 398 L HA -0.299 4.041 4.340 0.001 0.000 0.228 398 L C 2.058 178.918 176.870 -0.017 0.000 1.092 398 L CA 2.669 57.523 54.840 0.022 0.000 0.805 398 L CB -1.151 40.951 42.059 0.071 0.000 0.905 398 L HN 0.957 nan 8.230 nan 0.000 0.443 399 G N -1.875 106.929 108.800 0.007 0.000 2.404 399 G HA2 -0.244 3.716 3.960 0.001 0.000 0.215 399 G HA3 -0.244 3.716 3.960 0.001 0.000 0.215 399 G C 1.384 176.280 174.900 -0.007 0.000 1.174 399 G CA 0.417 45.557 45.100 0.066 0.000 0.780 399 G HN 0.458 nan 8.290 nan 0.000 0.537 400 Q N -0.450 119.233 119.800 -0.195 0.000 2.197 400 Q HA -0.081 4.259 4.340 0.001 0.000 0.207 400 Q C 2.459 178.311 176.000 -0.247 0.000 0.984 400 Q CA 1.188 56.761 55.803 -0.383 0.000 0.869 400 Q CB -0.167 28.261 28.738 -0.517 0.000 0.906 400 Q HN 0.480 nan 8.270 nan 0.000 0.426 401 L N -2.651 118.335 121.223 -0.395 0.000 2.316 401 L HA 0.009 4.349 4.340 0.001 0.000 0.207 401 L C 1.032 177.476 176.870 -0.711 0.000 1.070 401 L CA 0.610 55.028 54.840 -0.703 0.000 0.820 401 L CB 0.236 41.537 42.059 -1.263 0.000 0.992 401 L HN 0.156 nan 8.230 nan 0.000 0.466 402 Y N -0.818 119.403 120.300 -0.132 0.000 2.471 402 Y HA 0.376 4.926 4.550 0.001 0.000 0.249 402 Y C 1.654 177.543 175.900 -0.018 0.000 1.116 402 Y CA -0.525 57.479 58.100 -0.161 0.000 1.240 402 Y CB 0.163 38.264 38.460 -0.599 0.000 1.251 402 Y HN 0.017 nan 8.280 nan 0.000 0.527 403 G N 0.083 108.959 108.800 0.126 0.000 2.647 403 G HA2 -0.094 3.866 3.960 0.001 0.000 0.271 403 G HA3 -0.094 3.866 3.960 0.001 0.000 0.271 403 G C 0.473 175.432 174.900 0.098 0.000 1.300 403 G CA -0.180 45.006 45.100 0.142 0.000 0.997 403 G HN 0.293 nan 8.290 nan 0.000 0.533 404 F N -0.728 119.132 119.950 -0.151 0.000 2.186 404 F HA -0.011 4.516 4.527 0.001 0.000 0.299 404 F C 2.190 177.901 175.800 -0.148 0.000 1.090 404 F CA 1.285 59.155 58.000 -0.217 0.000 1.307 404 F CB -0.131 38.617 39.000 -0.419 0.000 1.019 404 F HN 0.431 nan 8.300 nan 0.000 0.489 405 Y N 0.349 120.783 120.300 0.225 0.000 2.553 405 Y HA 0.179 4.729 4.550 0.001 0.000 0.303 405 Y C 1.709 177.682 175.900 0.122 0.000 1.194 405 Y CA -0.470 57.711 58.100 0.135 0.000 1.305 405 Y CB -1.167 37.365 38.460 0.120 0.000 1.045 405 Y HN 0.016 nan 8.280 nan 0.000 0.514 406 G N 1.223 110.116 108.800 0.155 0.000 2.667 406 G HA2 0.149 4.110 3.960 0.001 0.000 0.250 406 G HA3 0.149 4.110 3.960 0.001 0.000 0.250 406 G C -0.645 174.249 174.900 -0.011 0.000 1.212 406 G CA -0.526 44.624 45.100 0.084 0.000 0.874 406 G HN 0.456 nan 8.290 nan 0.000 0.561 407 N N 0.263 118.924 118.700 -0.065 0.000 2.875 407 N HA 0.240 4.980 4.740 0.001 0.000 0.253 407 N C -2.319 173.125 175.510 -0.110 0.000 1.296 407 N CA -1.264 51.742 53.050 -0.074 0.000 0.816 407 N CB 2.479 40.917 38.487 -0.081 0.000 1.504 407 N HN 0.201 nan 8.380 nan 0.000 0.582 408 P HA 0.114 nan 4.420 nan 0.000 0.249 408 P C -0.447 176.840 177.300 -0.021 0.000 1.229 408 P CA 0.347 63.369 63.100 -0.131 0.000 0.788 408 P CB 0.175 31.897 31.700 0.036 0.000 1.072 409 N N 0.267 118.972 118.700 0.009 0.000 2.453 409 N HA 0.197 4.937 4.740 0.001 0.000 0.270 409 N C 0.145 175.673 175.510 0.031 0.000 1.195 409 N CA -0.127 52.950 53.050 0.045 0.000 0.902 409 N CB 0.322 38.846 38.487 0.062 0.000 1.186 409 N HN 0.240 nan 8.380 nan 0.000 0.510 410 L N 0.278 121.495 121.223 -0.010 0.000 2.418 410 L HA 0.227 4.568 4.340 0.001 0.000 0.265 410 L C 0.561 177.387 176.870 -0.074 0.000 1.143 410 L CA -0.316 54.505 54.840 -0.032 0.000 0.809 410 L CB 0.717 42.733 42.059 -0.073 0.000 1.124 410 L HN -0.027 nan 8.230 nan 0.000 0.456 411 D N 1.490 121.826 120.400 -0.106 0.000 2.294 411 D HA 0.313 4.953 4.640 0.001 0.000 0.250 411 D C -2.293 173.797 176.300 -0.350 0.000 1.058 411 D CA -1.317 52.550 54.000 -0.222 0.000 0.950 411 D CB 0.961 41.680 40.800 -0.135 0.000 1.158 411 D HN 0.176 nan 8.370 nan 0.000 0.453 412 P HA -0.003 nan 4.420 nan 0.000 0.267 412 P C -0.351 176.804 177.300 -0.243 0.000 1.201 412 P CA 0.192 63.000 63.100 -0.486 0.000 0.775 412 P CB 0.502 31.782 31.700 -0.699 0.000 0.854 413 E N 1.829 121.960 120.200 -0.116 0.000 2.338 413 E HA 0.165 4.515 4.350 0.001 0.000 0.272 413 E C -0.197 176.374 176.600 -0.047 0.000 1.029 413 E CA -0.169 56.205 56.400 -0.045 0.000 0.872 413 E CB 0.579 30.303 29.700 0.041 0.000 1.015 413 E HN 0.302 nan 8.360 nan 0.000 0.417 414 K N 1.209 121.595 120.400 -0.025 0.000 2.203 414 K HA 0.441 4.762 4.320 0.001 0.000 0.251 414 K C -0.757 175.853 176.600 0.017 0.000 0.944 414 K CA -0.601 55.699 56.287 0.022 0.000 0.829 414 K CB 2.036 34.569 32.500 0.054 0.000 1.125 414 K HN 0.292 nan 8.250 nan 0.000 0.430 415 S N 1.920 117.633 115.700 0.022 0.000 2.614 415 S HA 0.339 4.810 4.470 0.001 0.000 0.288 415 S C -1.522 173.058 174.600 -0.033 0.000 1.137 415 S CA -0.928 57.259 58.200 -0.022 0.000 0.992 415 S CB 0.569 63.712 63.200 -0.096 0.000 1.026 415 S HN 0.446 nan 8.310 nan 0.000 0.486 416 K N 3.473 123.857 120.400 -0.026 0.000 2.206 416 K HA 0.491 4.812 4.320 0.001 0.000 0.264 416 K C -0.622 175.888 176.600 -0.150 0.000 0.967 416 K CA -0.940 55.285 56.287 -0.103 0.000 0.844 416 K CB 1.502 34.040 32.500 0.063 0.000 1.099 416 K HN 0.567 nan 8.250 nan 0.000 0.441 417 Q N 1.946 121.509 119.800 -0.395 0.000 2.372 417 Q HA 0.358 4.698 4.340 0.001 0.000 0.273 417 Q C -1.544 174.350 176.000 -0.178 0.000 1.078 417 Q CA -0.760 54.909 55.803 -0.224 0.000 0.806 417 Q CB 2.704 31.309 28.738 -0.221 0.000 1.332 417 Q HN 0.656 nan 8.270 nan 0.000 0.435 418 W N 2.780 124.012 121.300 -0.112 0.000 3.097 418 W HA 0.561 5.222 4.660 0.001 0.000 0.335 418 W C -1.786 174.785 176.519 0.087 0.000 1.114 418 W CA -0.768 56.593 57.345 0.026 0.000 1.231 418 W CB 1.058 30.601 29.460 0.139 0.000 1.388 418 W HN 0.680 nan 8.180 nan 0.000 0.485 419 E N 3.323 123.834 120.200 0.519 0.000 2.321 419 E HA 0.643 4.993 4.350 0.001 0.000 0.278 419 E C -0.944 175.837 176.600 0.302 0.000 0.902 419 E CA -0.709 55.864 56.400 0.288 0.000 0.758 419 E CB 1.829 31.622 29.700 0.154 0.000 1.213 419 E HN 0.751 nan 8.360 nan 0.000 0.426 420 G N 1.537 110.495 108.800 0.263 0.000 2.495 420 G HA2 0.805 4.766 3.960 0.001 0.000 0.318 420 G HA3 0.805 4.766 3.960 0.001 0.000 0.318 420 G C -1.369 173.672 174.900 0.235 0.000 1.257 420 G CA -0.258 45.006 45.100 0.274 0.000 0.962 420 G HN 0.569 nan 8.290 nan 0.000 0.483 421 A N 0.698 123.611 122.820 0.155 0.000 2.574 421 A HA 0.801 5.122 4.320 0.001 0.000 0.297 421 A C -1.967 175.712 177.584 0.157 0.000 1.062 421 A CA -0.632 51.515 52.037 0.183 0.000 0.686 421 A CB 1.285 20.313 19.000 0.045 0.000 1.285 421 A HN 0.642 nan 8.150 nan 0.000 0.403 422 F N 1.172 121.302 119.950 0.300 0.000 2.539 422 F HA 0.454 4.981 4.527 0.001 0.000 0.328 422 F C 0.326 176.210 175.800 0.140 0.000 1.148 422 F CA -0.212 57.990 58.000 0.337 0.000 0.940 422 F CB 2.237 41.529 39.000 0.486 0.000 1.194 422 F HN 0.712 nan 8.300 nan 0.000 0.438 423 E N 2.108 122.299 120.200 -0.015 0.000 2.195 423 E HA 0.847 5.197 4.350 0.001 0.000 0.271 423 E C -0.596 175.471 176.600 -0.889 0.000 0.923 423 E CA -1.084 55.035 56.400 -0.468 0.000 0.790 423 E CB 2.341 31.855 29.700 -0.310 0.000 1.155 423 E HN 0.678 nan 8.360 nan 0.000 0.402 424 G N 2.027 109.712 108.800 -1.858 0.000 2.619 424 G HA2 0.499 4.459 3.960 0.001 0.000 0.296 424 G HA3 0.499 4.459 3.960 0.001 0.000 0.296 424 G C -1.633 172.467 174.900 -1.334 0.000 1.334 424 G CA -0.977 43.116 45.100 -1.679 0.000 0.934 424 G HN 0.517 nan 8.290 nan 0.000 0.476 425 L N 2.038 122.683 121.223 -0.964 0.000 2.345 425 L HA 0.709 5.049 4.340 0.001 0.000 0.274 425 L C -0.182 176.539 176.870 -0.249 0.000 0.999 425 L CA -0.529 54.040 54.840 -0.452 0.000 0.849 425 L CB 1.549 43.403 42.059 -0.341 0.000 1.220 425 L HN 0.766 nan 8.230 nan 0.000 0.422 426 T N 1.273 115.885 114.554 0.096 0.000 2.893 426 T HA 0.623 4.974 4.350 0.001 0.000 0.293 426 T C 0.553 175.343 174.700 0.150 0.000 1.027 426 T CA 0.166 62.397 62.100 0.219 0.000 0.988 426 T CB 1.951 71.071 68.868 0.420 0.000 1.043 426 T HN 1.094 nan 8.240 nan 0.000 0.461 427 A N 1.448 124.330 122.820 0.104 0.000 2.798 427 A HA 0.158 4.479 4.320 0.001 0.000 0.282 427 A C 1.758 179.376 177.584 0.057 0.000 1.464 427 A CA 1.460 53.535 52.037 0.063 0.000 0.844 427 A CB -2.254 16.770 19.000 0.040 0.000 1.006 427 A HN 2.968 nan 8.150 nan 0.000 0.577 428 G N -3.474 105.364 108.800 0.063 0.000 2.182 428 G HA2 0.134 4.095 3.960 0.001 0.000 0.248 428 G HA3 0.134 4.095 3.960 0.001 0.000 0.248 428 G C 0.007 174.973 174.900 0.111 0.000 1.042 428 G CA 0.421 45.564 45.100 0.071 0.000 0.775 428 G HN 1.918 nan 8.290 nan 0.000 0.501 429 V N 0.302 120.292 119.914 0.126 0.000 2.524 429 V HA 0.442 4.563 4.120 0.001 0.000 0.297 429 V C -0.337 175.898 176.094 0.236 0.000 1.035 429 V CA -1.516 60.901 62.300 0.195 0.000 0.867 429 V CB 1.785 33.693 31.823 0.142 0.000 1.004 429 V HN 0.301 nan 8.190 nan 0.000 0.426 430 N N 5.765 124.579 118.700 0.189 0.000 2.438 430 N HA 0.545 5.286 4.740 0.001 0.000 0.282 430 N C -1.013 174.618 175.510 0.202 0.000 1.037 430 N CA -0.306 52.792 53.050 0.079 0.000 0.942 430 N CB 1.957 40.454 38.487 0.017 0.000 1.136 430 N HN 0.869 nan 8.380 nan 0.000 0.481 431 W N 1.641 122.950 121.300 0.015 0.000 3.074 431 W HA 0.573 5.234 4.660 0.001 0.000 0.332 431 W C -1.410 175.143 176.519 0.057 0.000 1.253 431 W CA -0.762 56.611 57.345 0.046 0.000 1.180 431 W CB 1.380 30.873 29.460 0.055 0.000 1.445 431 W HN 0.244 nan 8.180 nan 0.000 0.573 432 R N 1.854 122.653 120.500 0.498 0.000 2.566 432 R HA 0.494 4.835 4.340 0.001 0.000 0.271 432 R C -1.110 175.464 176.300 0.457 0.000 1.071 432 R CA -0.764 55.579 56.100 0.404 0.000 0.915 432 R CB 2.454 32.856 30.300 0.170 0.000 1.228 432 R HN 0.362 nan 8.270 nan 0.000 0.449 433 I N 1.865 122.727 120.570 0.487 0.000 2.465 433 I HA 0.485 4.655 4.170 0.001 0.000 0.291 433 I C -0.409 175.902 176.117 0.323 0.000 1.014 433 I CA -0.694 60.814 61.300 0.348 0.000 1.093 433 I CB 1.649 39.833 38.000 0.306 0.000 1.267 433 I HN 0.552 nan 8.210 nan 0.000 0.431 434 S N 3.221 119.066 115.700 0.242 0.000 2.536 434 S HA 0.841 5.312 4.470 0.001 0.000 0.271 434 S C -0.215 174.492 174.600 0.177 0.000 1.134 434 S CA -0.859 57.480 58.200 0.230 0.000 0.897 434 S CB 2.384 65.707 63.200 0.205 0.000 1.094 434 S HN 0.935 nan 8.310 nan 0.000 0.473 435 G N 1.084 109.968 108.800 0.140 0.000 2.495 435 G HA2 0.735 4.696 3.960 0.001 0.000 0.318 435 G HA3 0.735 4.696 3.960 0.001 0.000 0.318 435 G C -1.406 173.483 174.900 -0.017 0.000 1.257 435 G CA -0.854 44.230 45.100 -0.027 0.000 0.962 435 G HN 0.750 nan 8.290 nan 0.000 0.483 436 Y N -0.292 119.929 120.300 -0.132 0.000 2.524 436 Y HA 0.857 5.408 4.550 0.001 0.000 0.347 436 Y C -0.479 175.254 175.900 -0.279 0.000 1.005 436 Y CA -1.829 56.156 58.100 -0.192 0.000 1.025 436 Y CB 1.772 40.177 38.460 -0.090 0.000 1.275 436 Y HN 0.570 nan 8.280 nan 0.000 0.460 437 R N 2.405 122.759 120.500 -0.243 0.000 2.589 437 R HA 0.581 4.921 4.340 0.001 0.000 0.293 437 R C -1.770 174.548 176.300 0.030 0.000 0.963 437 R CA -0.846 55.109 56.100 -0.242 0.000 0.905 437 R CB 1.143 31.121 30.300 -0.535 0.000 1.144 437 R HN 0.882 nan 8.270 nan 0.000 0.459 438 N N 2.504 121.234 118.700 0.050 0.000 2.599 438 N HA 0.167 4.908 4.740 0.001 0.000 0.283 438 N C -1.988 173.556 175.510 0.058 0.000 1.160 438 N CA -0.366 52.724 53.050 0.068 0.000 0.869 438 N CB 1.166 39.707 38.487 0.090 0.000 1.448 438 N HN 0.542 nan 8.380 nan 0.000 0.535 439 D N 2.719 123.159 120.400 0.066 0.000 2.473 439 D HA 0.231 4.872 4.640 0.001 0.000 0.226 439 D C 0.245 176.577 176.300 0.055 0.000 1.089 439 D CA -0.142 53.899 54.000 0.070 0.000 0.883 439 D CB 1.692 42.554 40.800 0.103 0.000 1.029 439 D HN 0.176 nan 8.370 nan 0.000 0.517 440 V N 1.001 120.945 119.914 0.050 0.000 2.785 440 V HA 0.550 4.671 4.120 0.001 0.000 0.300 440 V C 0.770 176.897 176.094 0.055 0.000 1.062 440 V CA -0.283 62.047 62.300 0.049 0.000 1.029 440 V CB 1.678 33.553 31.823 0.086 0.000 1.024 440 V HN 0.367 nan 8.190 nan 0.000 0.477 441 S N 0.219 115.949 115.700 0.050 0.000 2.607 441 S HA 0.450 4.921 4.470 0.001 0.000 0.273 441 S C -0.272 174.351 174.600 0.037 0.000 1.148 441 S CA -0.445 57.783 58.200 0.046 0.000 0.833 441 S CB 1.575 64.805 63.200 0.050 0.000 1.130 441 S HN 0.953 nan 8.310 nan 0.000 0.470 442 D N 0.476 120.896 120.400 0.033 0.000 3.059 442 D HA -0.150 4.491 4.640 0.001 0.000 0.220 442 D C -0.288 176.032 176.300 0.033 0.000 1.169 442 D CA 0.635 54.649 54.000 0.024 0.000 0.902 442 D CB -1.016 39.780 40.800 -0.007 0.000 1.116 442 D HN 0.436 nan 8.370 nan 0.000 0.417 443 L N 0.977 122.230 121.223 0.050 0.000 2.601 443 L HA 0.000 4.341 4.340 0.001 0.000 0.277 443 L C 1.189 178.098 176.870 0.064 0.000 1.219 443 L CA 0.447 55.324 54.840 0.061 0.000 0.915 443 L CB 0.154 42.249 42.059 0.061 0.000 1.160 443 L HN -0.005 nan 8.230 nan 0.000 0.494 444 I N 3.927 124.527 120.570 0.051 0.000 2.379 444 I HA 0.083 4.254 4.170 0.001 0.000 0.290 444 I C -0.306 175.904 176.117 0.155 0.000 1.063 444 I CA 0.306 61.646 61.300 0.067 0.000 1.351 444 I CB 0.353 38.328 38.000 -0.043 0.000 1.410 444 I HN 0.495 nan 8.210 nan 0.000 0.505 445 D N 5.455 126.011 120.400 0.261 0.000 2.646 445 D HA 0.214 4.855 4.640 0.001 0.000 0.245 445 D C -0.688 175.813 176.300 0.335 0.000 1.099 445 D CA -0.462 53.706 54.000 0.281 0.000 0.849 445 D CB 1.635 42.531 40.800 0.161 0.000 1.448 445 D HN 0.307 nan 8.370 nan 0.000 0.489 446 Y N 1.125 121.469 120.300 0.075 0.000 2.426 446 Y HA 0.161 4.712 4.550 0.001 0.000 0.344 446 Y C 0.107 175.929 175.900 -0.130 0.000 1.256 446 Y CA 0.466 58.375 58.100 -0.319 0.000 1.451 446 Y CB 0.788 38.973 38.460 -0.459 0.000 1.342 446 Y HN 0.173 nan 8.280 nan 0.000 0.600 447 D N 3.391 123.211 120.400 -0.966 0.000 2.542 447 D HA 0.140 4.781 4.640 0.001 0.000 0.252 447 D C -0.413 175.320 176.300 -0.945 0.000 1.222 447 D CA -0.386 53.256 54.000 -0.597 0.000 0.895 447 D CB 1.475 42.154 40.800 -0.201 0.000 1.207 447 D HN 0.698 nan 8.370 nan 0.000 0.558 448 D N 1.144 121.260 120.400 -0.473 0.000 2.104 448 D HA -0.193 4.448 4.640 0.001 0.000 0.194 448 D C 1.570 177.823 176.300 -0.078 0.000 0.994 448 D CA 1.189 55.062 54.000 -0.213 0.000 0.830 448 D CB 0.097 40.881 40.800 -0.026 0.000 0.959 448 D HN 0.489 nan 8.370 nan 0.000 0.452 449 H N 0.039 119.026 119.070 -0.137 0.000 2.251 449 H HA -0.087 4.469 4.556 0.001 0.000 0.294 449 H C 1.861 177.159 175.328 -0.051 0.000 1.078 449 H CA 2.129 58.139 56.048 -0.064 0.000 1.246 449 H CB -0.664 29.071 29.762 -0.044 0.000 1.358 449 H HN 0.211 nan 8.280 nan 0.000 0.488 450 T N -0.544 114.015 114.554 0.008 0.000 3.129 450 T HA 0.110 4.461 4.350 0.001 0.000 0.251 450 T C 0.490 175.171 174.700 -0.031 0.000 1.117 450 T CA 0.243 62.331 62.100 -0.020 0.000 1.034 450 T CB 0.020 68.936 68.868 0.081 0.000 0.968 450 T HN 0.179 nan 8.240 nan 0.000 0.526 451 L N 0.421 121.594 121.223 -0.083 0.000 3.739 451 L HA -0.126 4.215 4.340 0.001 0.000 0.442 451 L C 0.093 176.995 176.870 0.053 0.000 1.241 451 L CA 0.873 55.748 54.840 0.057 0.000 0.819 451 L CB -2.477 39.801 42.059 0.366 0.000 1.679 451 L HN 0.517 nan 8.230 nan 0.000 0.889 452 K N -1.571 118.648 120.400 -0.301 0.000 2.499 452 K HA 0.624 4.944 4.320 0.001 0.000 0.277 452 K C -1.056 175.235 176.600 -0.516 0.000 1.025 452 K CA -0.869 55.225 56.287 -0.321 0.000 0.900 452 K CB 2.018 34.238 32.500 -0.467 0.000 1.494 452 K HN -0.148 nan 8.250 nan 0.000 0.442 453 Y N 0.323 120.411 120.300 -0.353 0.000 2.387 453 Y HA 0.477 5.027 4.550 0.001 0.000 0.330 453 Y C -0.675 174.918 175.900 -0.512 0.000 1.133 453 Y CA 0.039 57.986 58.100 -0.255 0.000 1.152 453 Y CB 1.216 39.637 38.460 -0.065 0.000 1.215 453 Y HN 0.409 nan 8.280 nan 0.000 0.466 454 Y N -0.443 119.971 120.300 0.190 0.000 2.638 454 Y HA 0.224 4.775 4.550 0.001 0.000 0.335 454 Y C 0.619 176.561 175.900 0.069 0.000 1.155 454 Y CA -1.149 57.002 58.100 0.086 0.000 1.046 454 Y CB 1.508 39.991 38.460 0.038 0.000 1.303 454 Y HN 0.504 nan 8.280 nan 0.000 0.460 455 N N 0.620 119.454 118.700 0.224 0.000 2.415 455 N HA -0.040 4.700 4.740 0.001 0.000 0.176 455 N C -0.357 175.207 175.510 0.090 0.000 1.042 455 N CA 0.447 53.565 53.050 0.113 0.000 0.902 455 N CB 0.133 38.657 38.487 0.061 0.000 0.986 455 N HN 0.750 nan 8.380 nan 0.000 0.447 456 E N 0.608 120.858 120.200 0.083 0.000 2.534 456 E HA 0.328 4.678 4.350 0.001 0.000 0.264 456 E C 0.383 177.018 176.600 0.058 0.000 0.981 456 E CA 0.180 56.608 56.400 0.048 0.000 0.948 456 E CB 0.193 29.901 29.700 0.015 0.000 0.934 456 E HN 0.181 nan 8.360 nan 0.000 0.459 457 G N 1.364 110.189 108.800 0.043 0.000 2.312 457 G HA2 0.305 4.265 3.960 0.001 0.000 0.322 457 G HA3 0.305 4.265 3.960 0.001 0.000 0.322 457 G C -1.376 173.547 174.900 0.038 0.000 1.645 457 G CA -1.004 44.121 45.100 0.042 0.000 0.919 457 G HN 0.493 nan 8.290 nan 0.000 0.699 458 K N -0.193 120.225 120.400 0.030 0.000 2.527 458 K HA 0.828 5.149 4.320 0.001 0.000 0.260 458 K C -0.654 175.961 176.600 0.024 0.000 0.937 458 K CA -0.629 55.678 56.287 0.032 0.000 0.826 458 K CB 2.748 35.266 32.500 0.031 0.000 1.359 458 K HN 1.370 nan 8.250 nan 0.000 0.434 459 A N 2.059 124.897 122.820 0.030 0.000 2.381 459 A HA 0.533 4.854 4.320 0.001 0.000 0.299 459 A C -1.233 176.365 177.584 0.023 0.000 1.049 459 A CA -0.660 51.387 52.037 0.017 0.000 0.715 459 A CB 1.300 20.306 19.000 0.010 0.000 1.222 459 A HN 0.715 nan 8.150 nan 0.000 0.428 460 R N 2.419 122.925 120.500 0.011 0.000 2.221 460 R HA 0.618 4.959 4.340 0.001 0.000 0.327 460 R C -1.276 175.023 176.300 -0.002 0.000 1.033 460 R CA -0.182 55.925 56.100 0.012 0.000 0.887 460 R CB 0.343 30.648 30.300 0.008 0.000 1.057 460 R HN 0.673 nan 8.270 nan 0.000 0.455 461 I N 5.301 125.873 120.570 0.005 0.000 2.411 461 I HA 0.288 4.458 4.170 0.001 0.000 0.284 461 I C -0.414 175.677 176.117 -0.044 0.000 1.012 461 I CA -0.697 60.604 61.300 0.002 0.000 1.119 461 I CB 1.710 39.746 38.000 0.061 0.000 1.261 461 I HN 0.381 nan 8.210 nan 0.000 0.448 462 K N 5.204 125.541 120.400 -0.105 0.000 2.265 462 K HA 0.730 5.050 4.320 0.001 0.000 0.267 462 K C -0.135 176.281 176.600 -0.307 0.000 0.994 462 K CA -0.492 55.657 56.287 -0.229 0.000 0.860 462 K CB 2.652 35.053 32.500 -0.165 0.000 1.099 462 K HN 0.801 nan 8.250 nan 0.000 0.448 463 G N 1.112 109.441 108.800 -0.785 0.000 2.660 463 G HA2 0.576 4.537 3.960 0.001 0.000 0.294 463 G HA3 0.576 4.537 3.960 0.001 0.000 0.294 463 G C -1.325 173.001 174.900 -0.955 0.000 1.369 463 G CA -0.434 44.168 45.100 -0.831 0.000 0.912 463 G HN 0.292 nan 8.290 nan 0.000 0.479 464 V N -0.075 119.660 119.914 -0.299 0.000 2.960 464 V HA 0.776 4.897 4.120 0.001 0.000 0.315 464 V C -0.483 175.636 176.094 0.042 0.000 1.087 464 V CA -0.765 61.464 62.300 -0.120 0.000 0.982 464 V CB 2.085 33.843 31.823 -0.107 0.000 1.039 464 V HN 0.918 nan 8.190 nan 0.000 0.437 465 E N 1.701 121.966 120.200 0.109 0.000 2.294 465 E HA 0.702 5.053 4.350 0.001 0.000 0.272 465 E C -1.252 175.432 176.600 0.141 0.000 0.896 465 E CA -0.545 55.934 56.400 0.131 0.000 0.802 465 E CB 1.727 31.548 29.700 0.201 0.000 1.267 465 E HN 0.928 nan 8.360 nan 0.000 0.406 466 A N 3.265 126.175 122.820 0.150 0.000 2.319 466 A HA 0.679 4.999 4.320 0.001 0.000 0.310 466 A C -0.383 177.327 177.584 0.210 0.000 1.152 466 A CA -0.456 51.709 52.037 0.212 0.000 0.783 466 A CB 1.378 20.534 19.000 0.259 0.000 1.184 466 A HN 0.581 nan 8.150 nan 0.000 0.474 467 T N -0.576 114.103 114.554 0.209 0.000 2.887 467 T HA 0.905 5.256 4.350 0.001 0.000 0.288 467 T C -0.338 174.498 174.700 0.226 0.000 1.021 467 T CA -0.042 62.166 62.100 0.180 0.000 1.000 467 T CB 1.773 70.718 68.868 0.129 0.000 1.034 467 T HN 2.107 nan 8.240 nan 0.000 0.467 468 A N 2.323 125.264 122.820 0.200 0.000 2.599 468 A HA 0.936 5.257 4.320 0.001 0.000 0.290 468 A C -1.394 176.319 177.584 0.216 0.000 1.101 468 A CA -1.053 51.137 52.037 0.254 0.000 0.674 468 A CB 1.412 20.574 19.000 0.270 0.000 1.277 468 A HN 1.629 nan 8.150 nan 0.000 0.419 469 N N -1.595 117.278 118.700 0.288 0.000 3.340 469 N HA 0.664 5.405 4.740 0.001 0.000 0.234 469 N C -0.905 174.771 175.510 0.277 0.000 1.196 469 N CA -0.427 52.744 53.050 0.201 0.000 0.958 469 N CB 0.838 39.364 38.487 0.065 0.000 1.608 469 N HN 1.612 nan 8.380 nan 0.000 0.515 470 F N -2.211 117.742 119.950 0.006 0.000 2.858 470 F HA 0.696 5.223 4.527 0.001 0.000 0.319 470 F C -1.968 173.824 175.800 -0.013 0.000 1.166 470 F CA -1.011 56.973 58.000 -0.025 0.000 0.899 470 F CB 1.090 40.038 39.000 -0.087 0.000 1.332 470 F HN 0.270 nan 8.300 nan 0.000 0.461 471 D N 0.577 121.089 120.400 0.187 0.000 2.248 471 D HA 0.614 5.255 4.640 0.001 0.000 0.246 471 D C -0.883 175.547 176.300 0.216 0.000 1.027 471 D CA -0.147 53.936 54.000 0.138 0.000 0.853 471 D CB 2.111 42.983 40.800 0.120 0.000 1.243 471 D HN 0.861 nan 8.370 nan 0.000 0.462 472 T N -1.374 113.313 114.554 0.221 0.000 2.991 472 T HA 0.639 4.989 4.350 0.001 0.000 0.303 472 T C 0.622 175.420 174.700 0.162 0.000 1.015 472 T CA -0.258 61.967 62.100 0.210 0.000 1.007 472 T CB 1.513 70.548 68.868 0.280 0.000 1.034 472 T HN 0.601 nan 8.240 nan 0.000 0.446 473 G N 4.242 113.102 108.800 0.101 0.000 2.582 473 G HA2 -0.167 3.794 3.960 0.001 0.000 0.288 473 G HA3 -0.167 3.794 3.960 0.001 0.000 0.288 473 G C -2.171 172.775 174.900 0.076 0.000 1.247 473 G CA -0.088 45.050 45.100 0.063 0.000 0.972 473 G HN 0.884 nan 8.290 nan 0.000 0.557 474 P HA 0.471 nan 4.420 nan 0.000 0.227 474 P C -0.577 176.822 177.300 0.165 0.000 1.801 474 P CA 0.003 63.161 63.100 0.097 0.000 0.971 474 P CB 0.308 32.052 31.700 0.073 0.000 1.653 475 L N 0.299 121.624 121.223 0.171 0.000 2.441 475 L HA 0.433 4.774 4.340 0.001 0.000 0.270 475 L C -0.994 176.023 176.870 0.245 0.000 0.973 475 L CA 0.067 55.035 54.840 0.212 0.000 0.842 475 L CB 2.364 44.518 42.059 0.159 0.000 1.239 475 L HN -0.176 nan 8.230 nan 0.000 0.406 476 T N 2.929 117.597 114.554 0.189 0.000 2.812 476 T HA 0.590 4.941 4.350 0.001 0.000 0.282 476 T C -0.915 173.847 174.700 0.104 0.000 0.990 476 T CA -0.486 61.720 62.100 0.177 0.000 0.960 476 T CB 0.999 69.931 68.868 0.106 0.000 0.948 476 T HN 0.405 nan 8.240 nan 0.000 0.438 477 H N 0.812 119.648 119.070 -0.390 0.000 2.495 477 H HA 0.545 5.102 4.556 0.001 0.000 0.348 477 H C -0.158 174.921 175.328 -0.415 0.000 1.113 477 H CA -1.111 54.651 56.048 -0.478 0.000 1.195 477 H CB 1.035 30.269 29.762 -0.881 0.000 1.521 477 H HN 0.382 nan 8.280 nan 0.000 0.509 478 T N 2.567 116.984 114.554 -0.228 0.000 3.253 478 T HA 0.265 4.616 4.350 0.001 0.000 0.391 478 T C 0.152 174.672 174.700 -0.300 0.000 1.527 478 T CA -0.461 61.534 62.100 -0.174 0.000 1.268 478 T CB 0.157 68.996 68.868 -0.048 0.000 1.126 478 T HN 0.327 nan 8.240 nan 0.000 0.620 479 V N 2.906 122.601 119.914 -0.365 0.000 3.083 479 V HA 0.852 4.973 4.120 0.001 0.000 0.306 479 V C 0.044 176.131 176.094 -0.012 0.000 1.077 479 V CA 0.208 62.321 62.300 -0.312 0.000 1.073 479 V CB 1.607 33.324 31.823 -0.177 0.000 1.081 479 V HN 1.038 nan 8.190 nan 0.000 0.474 480 S N 3.737 119.489 115.700 0.087 0.000 2.627 480 S HA 0.567 5.038 4.470 0.001 0.000 0.268 480 S C -1.586 173.179 174.600 0.274 0.000 1.130 480 S CA -0.640 57.659 58.200 0.165 0.000 0.819 480 S CB 1.463 64.734 63.200 0.118 0.000 1.100 480 S HN 1.404 nan 8.310 nan 0.000 0.465 481 Y N 0.960 121.330 120.300 0.117 0.000 2.442 481 Y HA 0.636 5.187 4.550 0.001 0.000 0.330 481 Y C -2.230 173.754 175.900 0.141 0.000 1.100 481 Y CA -1.064 57.114 58.100 0.129 0.000 1.034 481 Y CB 1.873 40.411 38.460 0.129 0.000 1.285 481 Y HN 0.880 nan 8.280 nan 0.000 0.440 482 D N 4.823 125.087 120.400 -0.226 0.000 2.646 482 D HA 0.218 4.858 4.640 0.001 0.000 0.245 482 D C -1.764 174.269 176.300 -0.445 0.000 1.099 482 D CA -0.187 53.639 54.000 -0.289 0.000 0.849 482 D CB 2.448 43.231 40.800 -0.028 0.000 1.448 482 D HN 0.615 nan 8.370 nan 0.000 0.489 483 Y N 1.619 121.619 120.300 -0.501 0.000 2.350 483 Y HA 0.499 5.050 4.550 0.001 0.000 0.338 483 Y C -1.374 174.437 175.900 -0.149 0.000 0.961 483 Y CA -0.762 57.179 58.100 -0.265 0.000 1.100 483 Y CB 1.374 39.691 38.460 -0.238 0.000 1.179 483 Y HN 0.205 nan 8.280 nan 0.000 0.454 484 V N 6.466 126.170 119.914 -0.351 0.000 2.735 484 V HA 0.506 4.626 4.120 0.001 0.000 0.310 484 V C -1.747 174.059 176.094 -0.480 0.000 1.061 484 V CA -0.414 61.734 62.300 -0.252 0.000 0.913 484 V CB 1.972 33.765 31.823 -0.050 0.000 1.005 484 V HN 0.887 nan 8.190 nan 0.000 0.428 485 D N 5.524 125.757 120.400 -0.277 0.000 2.389 485 D HA 0.542 5.183 4.640 0.001 0.000 0.256 485 D C -0.453 175.789 176.300 -0.097 0.000 1.239 485 D CA -0.050 53.827 54.000 -0.204 0.000 0.925 485 D CB 1.621 42.376 40.800 -0.076 0.000 1.145 485 D HN 0.872 nan 8.370 nan 0.000 0.542 486 A N 3.943 126.705 122.820 -0.098 0.000 2.306 486 A HA 0.838 5.158 4.320 0.001 0.000 0.314 486 A C -0.098 177.441 177.584 -0.074 0.000 1.164 486 A CA -0.538 51.454 52.037 -0.076 0.000 0.822 486 A CB 0.832 19.770 19.000 -0.102 0.000 1.130 486 A HN 0.599 nan 8.150 nan 0.000 0.496 487 R N 1.491 121.957 120.500 -0.057 0.000 2.604 487 R HA 0.228 4.569 4.340 0.001 0.000 0.270 487 R C -1.067 175.210 176.300 -0.039 0.000 1.052 487 R CA -1.038 55.032 56.100 -0.051 0.000 0.902 487 R CB 1.405 31.682 30.300 -0.038 0.000 1.233 487 R HN 0.810 nan 8.270 nan 0.000 0.455 488 N N 1.332 120.008 118.700 -0.040 0.000 2.454 488 N HA -0.020 4.721 4.740 0.001 0.000 0.260 488 N C 0.025 175.526 175.510 -0.014 0.000 1.218 488 N CA 0.296 53.332 53.050 -0.024 0.000 0.904 488 N CB 1.341 39.812 38.487 -0.026 0.000 1.065 488 N HN 0.767 nan 8.380 nan 0.000 0.462 489 A N 4.504 127.323 122.820 -0.001 0.000 2.416 489 A HA 0.187 4.508 4.320 0.001 0.000 0.252 489 A C 1.266 178.854 177.584 0.006 0.000 1.353 489 A CA 0.014 52.055 52.037 0.007 0.000 0.996 489 A CB -0.450 18.561 19.000 0.019 0.000 0.961 489 A HN 0.801 nan 8.150 nan 0.000 0.523 490 I N -2.327 118.242 120.570 -0.001 0.000 3.685 490 I HA -0.032 4.139 4.170 0.001 0.000 0.258 490 I C 2.276 178.387 176.117 -0.009 0.000 1.135 490 I CA 0.974 62.273 61.300 -0.002 0.000 1.436 490 I CB -0.220 37.779 38.000 -0.001 0.000 1.670 490 I HN 0.299 nan 8.210 nan 0.000 0.424 491 T N -2.269 112.275 114.554 -0.016 0.000 3.113 491 T HA -0.097 4.253 4.350 0.001 0.000 0.263 491 T C 0.920 175.603 174.700 -0.028 0.000 1.143 491 T CA 0.828 62.914 62.100 -0.024 0.000 1.090 491 T CB -0.292 68.558 68.868 -0.031 0.000 0.922 491 T HN 0.333 nan 8.240 nan 0.000 0.521 492 D N 1.455 121.841 120.400 -0.024 0.000 2.860 492 D HA -0.163 4.478 4.640 0.001 0.000 0.229 492 D C 0.022 176.297 176.300 -0.042 0.000 1.169 492 D CA 1.464 55.449 54.000 -0.026 0.000 0.737 492 D CB -1.491 39.298 40.800 -0.018 0.000 1.080 492 D HN 0.766 nan 8.370 nan 0.000 0.424 493 T N -1.657 112.863 114.554 -0.056 0.000 2.912 493 T HA 0.662 5.013 4.350 0.001 0.000 0.288 493 T C -2.711 171.932 174.700 -0.096 0.000 1.030 493 T CA -1.684 60.365 62.100 -0.084 0.000 1.020 493 T CB 2.166 70.974 68.868 -0.100 0.000 1.056 493 T HN -0.152 nan 8.240 nan 0.000 0.480 494 P HA -0.003 nan 4.420 nan 0.000 0.264 494 P C -0.092 177.144 177.300 -0.107 0.000 1.173 494 P CA -0.061 62.966 63.100 -0.122 0.000 0.761 494 P CB 0.253 31.844 31.700 -0.182 0.000 0.794 495 L N 3.174 124.336 121.223 -0.101 0.000 2.410 495 L HA 0.083 4.424 4.340 0.001 0.000 0.273 495 L C 0.954 177.771 176.870 -0.088 0.000 1.152 495 L CA -0.495 54.276 54.840 -0.115 0.000 0.855 495 L CB -0.098 41.857 42.059 -0.174 0.000 1.129 495 L HN 0.255 nan 8.230 nan 0.000 0.463 496 L N 4.171 125.360 121.223 -0.057 0.000 2.499 496 L HA -0.035 4.305 4.340 0.001 0.000 0.281 496 L C 1.375 178.253 176.870 0.013 0.000 1.234 496 L CA 0.822 55.670 54.840 0.013 0.000 0.839 496 L CB -0.591 41.488 42.059 0.032 0.000 1.104 496 L HN 0.678 nan 8.230 nan 0.000 0.500 497 R N -0.670 119.886 120.500 0.093 0.000 3.426 497 R HA -0.168 4.173 4.340 0.001 0.000 0.478 497 R C 0.060 176.468 176.300 0.180 0.000 0.673 497 R CA 0.964 57.151 56.100 0.145 0.000 1.455 497 R CB -0.556 29.880 30.300 0.227 0.000 2.122 497 R HN 0.660 nan 8.270 nan 0.000 0.418 498 R N 0.266 120.800 120.500 0.057 0.000 2.637 498 R HA 0.637 4.978 4.340 0.001 0.000 0.269 498 R C -0.289 176.037 176.300 0.043 0.000 1.089 498 R CA 0.486 56.615 56.100 0.050 0.000 1.177 498 R CB 0.703 30.955 30.300 -0.080 0.000 1.091 498 R HN 0.300 nan 8.270 nan 0.000 0.540 499 A N 1.394 124.227 122.820 0.022 0.000 2.287 499 A HA 0.256 4.577 4.320 0.001 0.000 0.317 499 A C 0.736 178.287 177.584 -0.055 0.000 1.220 499 A CA -0.752 51.275 52.037 -0.016 0.000 0.835 499 A CB 0.644 19.631 19.000 -0.022 0.000 1.180 499 A HN 0.849 nan 8.150 nan 0.000 0.500 500 K N 1.996 122.357 120.400 -0.064 0.000 2.074 500 K HA -0.182 4.139 4.320 0.001 0.000 0.209 500 K C 0.570 177.051 176.600 -0.198 0.000 1.048 500 K CA 1.880 58.067 56.287 -0.166 0.000 0.926 500 K CB -0.205 32.245 32.500 -0.083 0.000 0.713 500 K HN 0.794 nan 8.250 nan 0.000 0.444 501 Q N 0.145 119.940 119.800 -0.008 0.000 2.418 501 Q HA 0.299 4.639 4.340 0.001 0.000 0.282 501 Q C -1.711 174.374 176.000 0.141 0.000 1.044 501 Q CA -1.049 54.817 55.803 0.105 0.000 0.813 501 Q CB 1.751 30.697 28.738 0.346 0.000 1.428 501 Q HN 0.222 nan 8.270 nan 0.000 0.402 502 Q N 0.695 120.591 119.800 0.160 0.000 2.394 502 Q HA 0.720 5.060 4.340 0.001 0.000 0.273 502 Q C -1.175 174.991 176.000 0.277 0.000 1.089 502 Q CA -1.056 54.835 55.803 0.148 0.000 0.812 502 Q CB 3.126 31.885 28.738 0.036 0.000 1.353 502 Q HN 0.468 nan 8.270 nan 0.000 0.438 503 V N 2.148 122.203 119.914 0.236 0.000 2.487 503 V HA 0.400 4.520 4.120 0.001 0.000 0.298 503 V C -0.713 175.430 176.094 0.081 0.000 1.028 503 V CA -0.729 61.714 62.300 0.238 0.000 0.860 503 V CB 1.599 33.572 31.823 0.250 0.000 0.991 503 V HN 0.599 nan 8.190 nan 0.000 0.427 504 K N 4.898 125.363 120.400 0.109 0.000 2.413 504 K HA 0.572 4.893 4.320 0.001 0.000 0.257 504 K C -1.693 174.967 176.600 0.101 0.000 0.946 504 K CA -0.733 55.568 56.287 0.023 0.000 0.823 504 K CB 2.605 35.099 32.500 -0.009 0.000 1.109 504 K HN 0.614 nan 8.250 nan 0.000 0.427 505 Y N 1.362 121.658 120.300 -0.008 0.000 2.492 505 Y HA 0.228 4.779 4.550 0.001 0.000 0.346 505 Y C -0.862 175.025 175.900 -0.022 0.000 0.997 505 Y CA -0.658 57.470 58.100 0.046 0.000 1.025 505 Y CB 2.491 41.033 38.460 0.137 0.000 1.263 505 Y HN 0.560 nan 8.280 nan 0.000 0.454 506 Q N 3.427 123.243 119.800 0.028 0.000 2.397 506 Q HA 0.730 5.071 4.340 0.001 0.000 0.275 506 Q C -2.506 173.565 176.000 0.119 0.000 1.090 506 Q CA -0.774 55.059 55.803 0.051 0.000 0.809 506 Q CB 2.183 30.890 28.738 -0.052 0.000 1.362 506 Q HN 0.670 nan 8.270 nan 0.000 0.431 507 L N 2.938 124.238 121.223 0.128 0.000 2.482 507 L HA 0.584 4.924 4.340 0.001 0.000 0.269 507 L C -1.985 174.965 176.870 0.133 0.000 0.967 507 L CA -0.073 54.848 54.840 0.135 0.000 0.851 507 L CB 2.173 44.377 42.059 0.241 0.000 1.242 507 L HN 0.709 nan 8.230 nan 0.000 0.404 508 D N 5.000 125.491 120.400 0.153 0.000 2.549 508 D HA 0.490 5.130 4.640 0.001 0.000 0.251 508 D C -1.565 174.902 176.300 0.278 0.000 1.153 508 D CA 0.169 54.232 54.000 0.105 0.000 0.861 508 D CB 1.412 42.270 40.800 0.096 0.000 1.207 508 D HN 0.469 nan 8.370 nan 0.000 0.543 509 W N 1.570 122.953 121.300 0.137 0.000 3.022 509 W HA 0.378 5.039 4.660 0.001 0.000 0.335 509 W C -0.710 175.946 176.519 0.228 0.000 1.133 509 W CA -1.092 56.328 57.345 0.125 0.000 1.219 509 W CB 0.975 30.466 29.460 0.052 0.000 1.409 509 W HN -0.045 nan 8.180 nan 0.000 0.507 510 Q N 4.902 124.873 119.800 0.285 0.000 2.360 510 Q HA 0.488 4.828 4.340 0.001 0.000 0.254 510 Q C -1.996 174.237 176.000 0.388 0.000 0.975 510 Q CA -0.425 55.546 55.803 0.280 0.000 0.912 510 Q CB 1.273 30.092 28.738 0.135 0.000 1.212 510 Q HN 0.928 nan 8.270 nan 0.000 0.452 511 L N 4.508 126.085 121.223 0.591 0.000 2.356 511 L HA 0.375 4.716 4.340 0.001 0.000 0.277 511 L C -0.636 176.543 176.870 0.516 0.000 0.996 511 L CA -1.131 53.959 54.840 0.417 0.000 0.822 511 L CB 1.002 43.306 42.059 0.407 0.000 1.256 511 L HN 0.671 nan 8.230 nan 0.000 0.413 512 Y N 3.111 123.618 120.300 0.345 0.000 3.225 512 Y HA -0.355 4.196 4.550 0.001 0.000 0.211 512 Y C 0.906 177.070 175.900 0.440 0.000 1.223 512 Y CA 0.877 59.186 58.100 0.348 0.000 1.284 512 Y CB -1.686 36.978 38.460 0.341 0.000 1.367 512 Y HN 0.823 nan 8.280 nan 0.000 0.566 513 D N -3.990 116.632 120.400 0.371 0.000 2.837 513 D HA -0.262 4.379 4.640 0.001 0.000 0.195 513 D C -0.012 176.361 176.300 0.121 0.000 1.033 513 D CA 1.432 55.524 54.000 0.153 0.000 1.021 513 D CB -1.402 39.400 40.800 0.004 0.000 1.101 513 D HN 0.423 nan 8.370 nan 0.000 0.431 514 F N 1.637 121.811 119.950 0.374 0.000 2.445 514 F HA 0.226 4.754 4.527 0.001 0.000 0.359 514 F C 1.143 177.068 175.800 0.207 0.000 1.101 514 F CA -0.234 57.966 58.000 0.334 0.000 1.177 514 F CB 0.744 40.033 39.000 0.482 0.000 1.110 514 F HN -0.299 nan 8.300 nan 0.000 0.522 515 D N 3.826 124.272 120.400 0.076 0.000 2.225 515 D HA 0.242 4.882 4.640 0.001 0.000 0.248 515 D C -1.108 175.089 176.300 -0.173 0.000 1.096 515 D CA -0.005 53.994 54.000 -0.001 0.000 0.863 515 D CB 0.625 41.384 40.800 -0.069 0.000 1.156 515 D HN 0.296 nan 8.370 nan 0.000 0.450 516 W N 1.285 122.342 121.300 -0.405 0.000 2.902 516 W HA 0.695 5.356 4.660 0.001 0.000 0.346 516 W C 0.118 176.289 176.519 -0.580 0.000 1.139 516 W CA -0.786 56.176 57.345 -0.637 0.000 1.139 516 W CB 2.297 30.900 29.460 -1.429 0.000 1.439 516 W HN 0.443 nan 8.180 nan 0.000 0.558 517 G N 1.620 110.312 108.800 -0.180 0.000 2.659 517 G HA2 0.590 4.550 3.960 0.001 0.000 0.291 517 G HA3 0.590 4.550 3.960 0.001 0.000 0.291 517 G C -1.992 172.931 174.900 0.038 0.000 1.379 517 G CA -0.711 44.347 45.100 -0.071 0.000 1.254 517 G HN 0.367 nan 8.290 nan 0.000 0.590 518 I N 2.535 123.166 120.570 0.102 0.000 2.382 518 I HA 0.433 4.603 4.170 0.001 0.000 0.285 518 I C 0.013 176.232 176.117 0.169 0.000 1.007 518 I CA -0.657 60.783 61.300 0.234 0.000 1.142 518 I CB 2.197 40.433 38.000 0.392 0.000 1.289 518 I HN 0.466 nan 8.210 nan 0.000 0.453 519 T N 5.422 120.048 114.554 0.119 0.000 2.812 519 T HA 0.527 4.878 4.350 0.001 0.000 0.282 519 T C -1.331 173.363 174.700 -0.010 0.000 0.990 519 T CA -0.465 61.642 62.100 0.011 0.000 0.960 519 T CB 1.241 70.031 68.868 -0.129 0.000 0.948 519 T HN 0.432 nan 8.240 nan 0.000 0.438 520 Y N 3.256 123.417 120.300 -0.232 0.000 2.442 520 Y HA 0.649 5.200 4.550 0.001 0.000 0.344 520 Y C -1.011 174.724 175.900 -0.275 0.000 0.976 520 Y CA -0.773 57.059 58.100 -0.448 0.000 1.040 520 Y CB 2.073 39.970 38.460 -0.938 0.000 1.228 520 Y HN 0.847 nan 8.280 nan 0.000 0.451 521 Q N 5.779 124.830 119.800 -1.248 0.000 2.263 521 Q HA 0.245 4.585 4.340 0.001 0.000 0.266 521 Q C -2.328 173.112 176.000 -0.934 0.000 1.002 521 Q CA -0.904 54.360 55.803 -0.897 0.000 0.790 521 Q CB 1.484 29.968 28.738 -0.422 0.000 1.272 521 Q HN 0.824 nan 8.270 nan 0.000 0.435 522 Y N 5.279 125.076 120.300 -0.837 0.000 2.477 522 Y HA 0.360 4.910 4.550 0.001 0.000 0.349 522 Y C -1.206 174.577 175.900 -0.196 0.000 0.977 522 Y CA -0.398 57.485 58.100 -0.361 0.000 1.214 522 Y CB 0.423 38.817 38.460 -0.110 0.000 1.124 522 Y HN 0.645 nan 8.280 nan 0.000 0.521 523 L N 6.433 127.319 121.223 -0.563 0.000 2.410 523 L HA 0.289 4.630 4.340 0.001 0.000 0.273 523 L C 1.175 177.569 176.870 -0.793 0.000 1.152 523 L CA 0.252 54.802 54.840 -0.483 0.000 0.855 523 L CB 0.470 42.367 42.059 -0.270 0.000 1.129 523 L HN 0.872 nan 8.230 nan 0.000 0.463 524 G N 1.695 110.246 108.800 -0.416 0.000 2.508 524 G HA2 0.172 4.133 3.960 0.001 0.000 0.278 524 G HA3 0.172 4.133 3.960 0.001 0.000 0.278 524 G C -0.320 174.468 174.900 -0.186 0.000 1.389 524 G CA -0.385 44.556 45.100 -0.265 0.000 1.050 524 G HN 0.446 nan 8.290 nan 0.000 0.522 525 T N -0.060 114.440 114.554 -0.090 0.000 2.856 525 T HA 0.528 4.879 4.350 0.001 0.000 0.292 525 T C -0.043 174.559 174.700 -0.163 0.000 0.980 525 T CA -0.310 61.708 62.100 -0.136 0.000 1.091 525 T CB 0.111 68.901 68.868 -0.128 0.000 0.936 525 T HN 0.603 nan 8.240 nan 0.000 0.503 526 R N 2.948 123.309 120.500 -0.231 0.000 2.673 526 R HA 0.499 4.840 4.340 0.001 0.000 0.281 526 R C -1.778 174.362 176.300 -0.266 0.000 0.991 526 R CA -1.014 54.998 56.100 -0.147 0.000 0.896 526 R CB 1.137 31.417 30.300 -0.032 0.000 1.201 526 R HN 0.469 nan 8.270 nan 0.000 0.457 527 Y N 0.556 120.850 120.300 -0.009 0.000 2.331 527 Y HA 0.355 4.906 4.550 0.001 0.000 0.338 527 Y C -0.162 175.729 175.900 -0.016 0.000 0.976 527 Y CA -0.386 57.702 58.100 -0.021 0.000 1.137 527 Y CB 1.759 40.202 38.460 -0.027 0.000 1.172 527 Y HN 0.681 nan 8.280 nan 0.000 0.478 528 D N 1.016 121.470 120.400 0.089 0.000 2.553 528 D HA 0.400 5.041 4.640 0.001 0.000 0.249 528 D C -1.129 175.182 176.300 0.018 0.000 1.062 528 D CA -0.818 53.217 54.000 0.058 0.000 1.085 528 D CB 1.257 42.090 40.800 0.055 0.000 1.350 528 D HN 0.087 nan 8.370 nan 0.000 0.575 529 K N 0.690 121.104 120.400 0.024 0.000 2.249 529 K HA 0.238 4.558 4.320 0.001 0.000 0.280 529 K C -0.863 175.699 176.600 -0.064 0.000 1.033 529 K CA -0.367 55.932 56.287 0.021 0.000 0.946 529 K CB 0.802 33.352 32.500 0.083 0.000 1.005 529 K HN 0.255 nan 8.250 nan 0.000 0.469 530 D N 3.322 123.664 120.400 -0.098 0.000 2.402 530 D HA -0.049 4.592 4.640 0.001 0.000 0.235 530 D C 0.677 177.000 176.300 0.038 0.000 1.226 530 D CA -0.356 53.576 54.000 -0.112 0.000 0.918 530 D CB 0.196 40.897 40.800 -0.165 0.000 1.043 530 D HN 0.441 nan 8.370 nan 0.000 0.506 531 Y N 2.129 122.307 120.300 -0.203 0.000 2.738 531 Y HA -0.055 4.496 4.550 0.001 0.000 0.293 531 Y C 1.059 176.762 175.900 -0.329 0.000 1.156 531 Y CA 0.272 58.058 58.100 -0.523 0.000 1.410 531 Y CB -1.099 37.249 38.460 -0.185 0.000 0.966 531 Y HN 0.187 nan 8.280 nan 0.000 0.568 532 S N -1.269 114.563 115.700 0.221 0.000 2.497 532 S HA 0.150 4.621 4.470 0.001 0.000 0.221 532 S C 0.411 175.142 174.600 0.219 0.000 1.037 532 S CA 0.219 58.491 58.200 0.120 0.000 0.920 532 S CB 0.129 63.462 63.200 0.221 0.000 0.800 532 S HN 0.278 nan 8.310 nan 0.000 0.505 533 S N 1.318 117.224 115.700 0.343 0.000 2.745 533 S HA 0.420 4.891 4.470 0.001 0.000 0.283 533 S C -1.143 173.694 174.600 0.394 0.000 1.170 533 S CA -0.589 57.797 58.200 0.310 0.000 1.119 533 S CB 0.538 63.846 63.200 0.181 0.000 1.035 533 S HN 0.461 nan 8.310 nan 0.000 0.483 534 Y N 5.836 126.248 120.300 0.186 0.000 2.511 534 Y HA 0.301 4.851 4.550 0.001 0.000 0.332 534 Y C -1.740 174.102 175.900 -0.096 0.000 1.177 534 Y CA -1.157 56.822 58.100 -0.202 0.000 1.422 534 Y CB 0.484 38.791 38.460 -0.256 0.000 1.271 534 Y HN 0.363 nan 8.280 nan 0.000 0.550 535 P HA 0.097 nan 4.420 nan 0.000 0.282 535 P C -1.542 175.518 177.300 -0.400 0.000 1.274 535 P CA 0.009 62.471 63.100 -1.062 0.000 0.770 535 P CB 0.131 31.336 31.700 -0.825 0.000 0.867 536 Y N 1.432 121.647 120.300 -0.141 0.000 2.717 536 Y HA -0.028 4.522 4.550 0.001 0.000 0.330 536 Y C 1.654 177.529 175.900 -0.042 0.000 1.217 536 Y CA -0.619 57.476 58.100 -0.009 0.000 1.506 536 Y CB 0.269 38.778 38.460 0.083 0.000 1.268 536 Y HN 0.435 nan 8.280 nan 0.000 0.561 537 Q N 1.174 121.046 119.800 0.119 0.000 2.963 537 Q HA 0.329 4.670 4.340 0.001 0.000 0.196 537 Q C 0.760 176.779 176.000 0.031 0.000 1.137 537 Q CA -0.245 55.583 55.803 0.042 0.000 0.567 537 Q CB 0.215 28.961 28.738 0.013 0.000 4.889 537 Q HN 0.653 nan 8.270 nan 0.000 0.337 538 T N -1.210 113.347 114.554 0.004 0.000 2.987 538 T HA 0.173 4.524 4.350 0.001 0.000 0.248 538 T C -0.075 174.615 174.700 -0.016 0.000 0.997 538 T CA -0.206 61.907 62.100 0.021 0.000 1.013 538 T CB 0.371 69.277 68.868 0.064 0.000 1.077 538 T HN 0.235 nan 8.240 nan 0.000 0.483 539 V N 3.199 123.070 119.914 -0.071 0.000 3.243 539 V HA -0.233 3.888 4.120 0.001 0.000 0.252 539 V C 0.551 176.597 176.094 -0.080 0.000 1.835 539 V CA 0.510 62.754 62.300 -0.093 0.000 1.701 539 V CB -0.490 31.202 31.823 -0.219 0.000 0.846 539 V HN 0.433 nan 8.190 nan 0.000 0.416 540 K N 5.639 125.992 120.400 -0.078 0.000 2.451 540 K HA 0.220 4.541 4.320 0.001 0.000 0.280 540 K C 0.166 176.664 176.600 -0.170 0.000 1.020 540 K CA 0.097 56.223 56.287 -0.269 0.000 1.008 540 K CB 0.313 32.675 32.500 -0.230 0.000 0.917 540 K HN 0.568 nan 8.250 nan 0.000 0.478 541 M N 2.160 121.643 119.600 -0.195 0.000 2.188 541 M HA 0.147 4.628 4.480 0.001 0.000 0.357 541 M C 0.818 177.076 176.300 -0.071 0.000 1.204 541 M CA -0.561 54.700 55.300 -0.065 0.000 1.095 541 M CB 1.341 33.927 32.600 -0.024 0.000 1.604 541 M HN 0.700 nan 8.290 nan 0.000 0.464 542 G N 1.899 110.693 108.800 -0.010 0.000 2.368 542 G HA2 0.247 4.207 3.960 0.001 0.000 0.233 542 G HA3 0.247 4.207 3.960 0.001 0.000 0.233 542 G C 0.283 175.153 174.900 -0.050 0.000 1.267 542 G CA -0.457 44.636 45.100 -0.011 0.000 0.873 542 G HN 0.928 nan 8.290 nan 0.000 0.539 543 G N 0.406 109.168 108.800 -0.062 0.000 2.338 543 G HA2 0.582 4.543 3.960 0.001 0.000 0.295 543 G HA3 0.582 4.543 3.960 0.001 0.000 0.295 543 G C 0.084 174.854 174.900 -0.217 0.000 1.132 543 G CA 0.229 45.211 45.100 -0.197 0.000 0.922 543 G HN 1.323 nan 8.290 nan 0.000 0.427 544 V N 0.006 119.656 119.914 -0.439 0.000 3.113 544 V HA 0.896 5.017 4.120 0.001 0.000 0.316 544 V C 0.021 175.913 176.094 -0.336 0.000 1.125 544 V CA -1.137 60.967 62.300 -0.326 0.000 1.026 544 V CB 1.856 33.388 31.823 -0.486 0.000 1.080 544 V HN 0.561 nan 8.190 nan 0.000 0.444 545 S N 1.104 116.751 115.700 -0.089 0.000 2.500 545 S HA 0.818 5.289 4.470 0.001 0.000 0.301 545 S C -0.867 173.731 174.600 -0.003 0.000 1.092 545 S CA -0.631 57.601 58.200 0.053 0.000 1.030 545 S CB 0.911 64.326 63.200 0.358 0.000 1.031 545 S HN 0.727 nan 8.310 nan 0.000 0.483 546 L N 3.927 125.086 121.223 -0.108 0.000 2.514 546 L HA 0.371 4.711 4.340 0.001 0.000 0.257 546 L C -1.528 175.379 176.870 0.062 0.000 1.101 546 L CA -0.418 54.407 54.840 -0.026 0.000 0.911 546 L CB 0.791 42.749 42.059 -0.167 0.000 1.162 546 L HN 0.646 nan 8.230 nan 0.000 0.477 547 W N 2.054 123.481 121.300 0.212 0.000 2.251 547 W HA 0.419 5.080 4.660 0.001 0.000 0.329 547 W C 0.177 176.791 176.519 0.158 0.000 1.234 547 W CA 0.107 57.621 57.345 0.281 0.000 1.228 547 W CB 0.797 30.530 29.460 0.455 0.000 1.135 547 W HN 0.262 nan 8.180 nan 0.000 0.576 548 D N 1.818 122.411 120.400 0.322 0.000 2.819 548 D HA 0.445 5.085 4.640 0.001 0.000 0.232 548 D C -1.611 174.803 176.300 0.191 0.000 1.160 548 D CA -0.685 53.420 54.000 0.174 0.000 0.858 548 D CB 2.382 43.218 40.800 0.061 0.000 1.610 548 D HN 0.214 nan 8.370 nan 0.000 0.481 549 L N 0.827 122.132 121.223 0.136 0.000 2.386 549 L HA 0.870 5.210 4.340 0.001 0.000 0.271 549 L C -1.682 175.230 176.870 0.070 0.000 0.993 549 L CA -0.473 54.456 54.840 0.149 0.000 0.819 549 L CB 1.918 44.090 42.059 0.189 0.000 1.294 549 L HN 0.496 nan 8.230 nan 0.000 0.414 550 A N 4.490 127.338 122.820 0.047 0.000 2.437 550 A HA 0.780 5.100 4.320 0.001 0.000 0.293 550 A C -1.310 176.187 177.584 -0.145 0.000 1.038 550 A CA 0.040 52.058 52.037 -0.032 0.000 0.708 550 A CB 1.466 20.473 19.000 0.012 0.000 1.251 550 A HN 1.700 nan 8.150 nan 0.000 0.409 551 V N -1.036 118.737 119.914 -0.236 0.000 3.160 551 V HA 1.057 5.178 4.120 0.001 0.000 0.310 551 V C -0.448 175.506 176.094 -0.232 0.000 1.181 551 V CA -0.319 61.747 62.300 -0.389 0.000 1.047 551 V CB 1.623 32.980 31.823 -0.778 0.000 1.068 551 V HN 2.610 nan 8.190 nan 0.000 0.441 552 A N 1.493 124.181 122.820 -0.221 0.000 2.555 552 A HA 0.790 5.110 4.320 0.001 0.000 0.297 552 A C -2.028 175.455 177.584 -0.169 0.000 1.060 552 A CA -0.360 51.586 52.037 -0.151 0.000 0.710 552 A CB 1.383 20.304 19.000 -0.133 0.000 1.282 552 A HN 1.955 nan 8.150 nan 0.000 0.399 553 Y N 3.429 123.537 120.300 -0.319 0.000 2.396 553 Y HA 0.628 5.178 4.550 0.001 0.000 0.332 553 Y C -2.648 173.092 175.900 -0.266 0.000 1.034 553 Y CA -2.017 55.818 58.100 -0.442 0.000 1.057 553 Y CB 2.970 40.993 38.460 -0.728 0.000 1.220 553 Y HN 0.505 nan 8.280 nan 0.000 0.440 554 P HA 0.090 nan 4.420 nan 0.000 0.276 554 P C -0.043 177.077 177.300 -0.301 0.000 1.264 554 P CA 0.160 63.003 63.100 -0.428 0.000 0.769 554 P CB 1.525 32.968 31.700 -0.429 0.000 0.840 555 V N 2.519 122.432 119.914 -0.001 0.000 3.633 555 V HA 0.148 4.269 4.120 0.001 0.000 0.283 555 V C 0.728 176.856 176.094 0.057 0.000 1.305 555 V CA 0.926 63.305 62.300 0.131 0.000 1.153 555 V CB -0.671 31.232 31.823 0.134 0.000 0.950 555 V HN 0.684 nan 8.190 nan 0.000 0.432 556 T N -1.344 113.196 114.554 -0.024 0.000 3.041 556 T HA 0.021 4.371 4.350 0.001 0.000 0.359 556 T C 0.720 175.342 174.700 -0.131 0.000 1.846 556 T CA 0.049 62.128 62.100 -0.035 0.000 1.066 556 T CB 1.088 69.984 68.868 0.047 0.000 1.774 556 T HN 0.236 nan 8.240 nan 0.000 0.509 557 S N 0.560 116.132 115.700 -0.214 0.000 2.474 557 S HA -0.113 4.357 4.470 0.001 0.000 0.235 557 S C 1.143 175.472 174.600 -0.451 0.000 0.997 557 S CA 1.548 59.547 58.200 -0.336 0.000 0.949 557 S CB -0.452 62.518 63.200 -0.384 0.000 0.766 557 S HN 0.833 nan 8.310 nan 0.000 0.517 558 H N -0.343 118.613 119.070 -0.191 0.000 2.553 558 H HA 0.479 5.036 4.556 0.001 0.000 0.276 558 H C 0.438 175.536 175.328 -0.384 0.000 0.979 558 H CA 0.115 55.939 56.048 -0.374 0.000 1.268 558 H CB 0.375 29.737 29.762 -0.667 0.000 1.450 558 H HN 0.254 nan 8.280 nan 0.000 0.527 559 L N 2.015 123.186 121.223 -0.088 0.000 2.316 559 L HA 0.347 4.688 4.340 0.001 0.000 0.280 559 L C -0.847 176.025 176.870 0.003 0.000 1.006 559 L CA -0.287 54.573 54.840 0.033 0.000 0.836 559 L CB 1.401 43.577 42.059 0.195 0.000 1.221 559 L HN 0.085 nan 8.230 nan 0.000 0.418 560 T N 3.583 118.133 114.554 -0.006 0.000 2.837 560 T HA 0.433 4.784 4.350 0.001 0.000 0.285 560 T C -0.179 174.526 174.700 0.007 0.000 0.984 560 T CA -0.285 61.796 62.100 -0.032 0.000 1.049 560 T CB 1.851 70.679 68.868 -0.066 0.000 0.947 560 T HN 0.278 nan 8.240 nan 0.000 0.472 561 V N 4.839 124.756 119.914 0.006 0.000 2.427 561 V HA 0.516 4.636 4.120 0.001 0.000 0.286 561 V C 0.106 176.179 176.094 -0.034 0.000 1.034 561 V CA -0.908 61.394 62.300 0.004 0.000 0.893 561 V CB 1.314 33.145 31.823 0.014 0.000 0.982 561 V HN 0.746 nan 8.190 nan 0.000 0.452 562 R N 2.809 123.284 120.500 -0.042 0.000 2.437 562 R HA 0.734 5.075 4.340 0.001 0.000 0.310 562 R C 0.088 176.341 176.300 -0.079 0.000 0.955 562 R CA -0.453 55.607 56.100 -0.066 0.000 0.851 562 R CB 2.076 32.344 30.300 -0.054 0.000 1.161 562 R HN 0.875 nan 8.270 nan 0.000 0.446 563 G N 1.338 110.079 108.800 -0.098 0.000 2.537 563 G HA2 0.625 4.586 3.960 0.001 0.000 0.323 563 G HA3 0.625 4.586 3.960 0.001 0.000 0.323 563 G C -1.227 173.623 174.900 -0.084 0.000 1.207 563 G CA -0.486 44.553 45.100 -0.100 0.000 0.976 563 G HN 0.438 nan 8.290 nan 0.000 0.487 564 K N -0.716 119.646 120.400 -0.062 0.000 2.568 564 K HA 0.554 4.874 4.320 0.001 0.000 0.273 564 K C -1.772 174.812 176.600 -0.026 0.000 0.951 564 K CA -0.753 55.508 56.287 -0.043 0.000 0.854 564 K CB 1.950 34.420 32.500 -0.049 0.000 1.424 564 K HN 0.402 nan 8.250 nan 0.000 0.427 565 I N 2.688 123.237 120.570 -0.035 0.000 2.468 565 I HA 0.431 4.602 4.170 0.001 0.000 0.285 565 I C -0.205 175.861 176.117 -0.085 0.000 1.039 565 I CA -0.937 60.296 61.300 -0.111 0.000 1.074 565 I CB 1.862 39.784 38.000 -0.130 0.000 1.228 565 I HN 0.693 nan 8.210 nan 0.000 0.436 566 A N 4.483 127.237 122.820 -0.109 0.000 2.322 566 A HA 0.390 4.711 4.320 0.001 0.000 0.269 566 A C 0.915 178.465 177.584 -0.056 0.000 1.094 566 A CA -0.148 51.853 52.037 -0.061 0.000 0.807 566 A CB 0.246 19.206 19.000 -0.066 0.000 1.047 566 A HN 0.920 nan 8.150 nan 0.000 0.487 567 N N -0.507 118.207 118.700 0.024 0.000 2.738 567 N HA -0.160 4.580 4.740 0.001 0.000 0.249 567 N C 0.556 176.110 175.510 0.074 0.000 1.047 567 N CA 0.724 53.818 53.050 0.073 0.000 0.707 567 N CB -0.844 37.669 38.487 0.043 0.000 0.937 567 N HN 0.776 nan 8.380 nan 0.000 0.545 568 L N 0.127 121.416 121.223 0.110 0.000 2.010 568 L HA -0.152 4.189 4.340 0.001 0.000 0.219 568 L C 1.426 178.213 176.870 -0.140 0.000 1.077 568 L CA 2.194 57.005 54.840 -0.049 0.000 0.773 568 L CB -0.607 41.409 42.059 -0.072 0.000 0.892 568 L HN 0.368 nan 8.230 nan 0.000 0.436 569 F N 0.024 119.988 119.950 0.024 0.000 2.696 569 F HA 0.110 4.637 4.527 0.001 0.000 0.296 569 F C 1.360 177.165 175.800 0.009 0.000 1.181 569 F CA 0.235 58.234 58.000 -0.001 0.000 1.411 569 F CB -0.895 38.099 39.000 -0.010 0.000 1.014 569 F HN 0.185 nan 8.300 nan 0.000 0.512 570 D N 0.859 121.327 120.400 0.114 0.000 2.913 570 D HA -0.271 4.369 4.640 0.001 0.000 0.228 570 D C 0.533 176.902 176.300 0.114 0.000 1.180 570 D CA 0.748 54.797 54.000 0.083 0.000 0.761 570 D CB -0.448 40.388 40.800 0.060 0.000 1.085 570 D HN 0.204 nan 8.370 nan 0.000 0.420 571 K N 1.556 122.045 120.400 0.147 0.000 2.155 571 K HA 0.082 4.403 4.320 0.001 0.000 0.240 571 K C -0.629 176.035 176.600 0.106 0.000 1.193 571 K CA -0.265 56.087 56.287 0.108 0.000 1.104 571 K CB 0.173 32.723 32.500 0.082 0.000 1.558 571 K HN 0.004 nan 8.250 nan 0.000 0.313 572 D N 2.032 122.523 120.400 0.151 0.000 2.304 572 D HA 0.224 4.865 4.640 0.001 0.000 0.247 572 D C -0.028 176.457 176.300 0.309 0.000 1.089 572 D CA 0.225 54.374 54.000 0.247 0.000 0.910 572 D CB 0.704 41.584 40.800 0.133 0.000 1.199 572 D HN 0.499 nan 8.370 nan 0.000 0.426 573 Y N -1.925 118.366 120.300 -0.016 0.000 2.965 573 Y HA 0.479 5.029 4.550 0.001 0.000 0.341 573 Y C -1.490 174.384 175.900 -0.042 0.000 1.443 573 Y CA -1.069 57.014 58.100 -0.028 0.000 1.101 573 Y CB 1.127 39.568 38.460 -0.033 0.000 1.969 573 Y HN 0.208 nan 8.280 nan 0.000 0.419 574 E N -0.385 119.509 120.200 -0.510 0.000 2.429 574 E HA 0.384 4.734 4.350 0.001 0.000 0.276 574 E C -0.726 175.618 176.600 -0.427 0.000 0.953 574 E CA -0.412 55.671 56.400 -0.529 0.000 0.787 574 E CB 2.495 32.040 29.700 -0.259 0.000 1.307 574 E HN 0.744 nan 8.360 nan 0.000 0.458 575 T N -3.035 111.321 114.554 -0.331 0.000 2.990 575 T HA 0.194 4.545 4.350 0.001 0.000 0.249 575 T C 0.369 174.997 174.700 -0.121 0.000 1.039 575 T CA 0.019 62.003 62.100 -0.192 0.000 1.036 575 T CB 0.258 69.005 68.868 -0.203 0.000 0.994 575 T HN 0.140 nan 8.240 nan 0.000 0.489 576 V N 2.496 122.333 119.914 -0.129 0.000 2.378 576 V HA 0.393 4.513 4.120 0.001 0.000 0.288 576 V C -0.678 175.405 176.094 -0.019 0.000 1.016 576 V CA -1.641 60.618 62.300 -0.069 0.000 0.840 576 V CB 0.610 32.337 31.823 -0.160 0.000 0.994 576 V HN 0.467 nan 8.190 nan 0.000 0.431 577 Y N 4.238 124.458 120.300 -0.133 0.000 2.881 577 Y HA 0.291 4.842 4.550 0.001 0.000 0.335 577 Y C 1.386 177.021 175.900 -0.442 0.000 1.263 577 Y CA 1.917 59.874 58.100 -0.238 0.000 1.572 577 Y CB 0.360 38.667 38.460 -0.255 0.000 1.237 577 Y HN 1.013 nan 8.280 nan 0.000 0.568 578 G N 3.601 111.706 108.800 -1.158 0.000 2.176 578 G HA2 -0.303 3.657 3.960 0.001 0.000 0.232 578 G HA3 -0.303 3.657 3.960 0.001 0.000 0.232 578 G C -0.562 174.007 174.900 -0.553 0.000 0.986 578 G CA -0.023 44.454 45.100 -1.038 0.000 0.643 578 G HN 0.643 nan 8.290 nan 0.000 0.522 579 Y N 1.101 121.199 120.300 -0.338 0.000 2.334 579 Y HA 0.609 5.159 4.550 0.001 0.000 0.336 579 Y C 0.713 176.500 175.900 -0.188 0.000 0.960 579 Y CA -0.707 57.279 58.100 -0.188 0.000 1.164 579 Y CB 1.480 39.844 38.460 -0.161 0.000 1.155 579 Y HN 0.256 nan 8.280 nan 0.000 0.478 580 Q N 1.537 121.322 119.800 -0.024 0.000 2.349 580 Q HA 0.162 4.503 4.340 0.001 0.000 0.287 580 Q C -0.637 175.337 176.000 -0.044 0.000 1.044 580 Q CA 0.636 56.411 55.803 -0.045 0.000 0.918 580 Q CB 0.557 29.279 28.738 -0.026 0.000 1.242 580 Q HN 0.612 nan 8.270 nan 0.000 0.405 581 T N 2.859 117.361 114.554 -0.087 0.000 2.786 581 T HA 0.540 4.891 4.350 0.001 0.000 0.283 581 T C -0.783 173.892 174.700 -0.041 0.000 0.992 581 T CA -0.380 61.656 62.100 -0.107 0.000 0.954 581 T CB 1.222 69.942 68.868 -0.247 0.000 0.934 581 T HN 0.793 nan 8.240 nan 0.000 0.440 582 A N 3.139 125.944 122.820 -0.025 0.000 2.616 582 A HA 0.422 4.743 4.320 0.001 0.000 0.234 582 A C 1.113 178.704 177.584 0.012 0.000 1.024 582 A CA 0.545 52.581 52.037 -0.003 0.000 0.758 582 A CB -0.248 18.745 19.000 -0.012 0.000 0.939 582 A HN 0.973 nan 8.150 nan 0.000 0.510 583 G N 1.465 110.274 108.800 0.015 0.000 2.574 583 G HA2 0.455 4.416 3.960 0.001 0.000 0.248 583 G HA3 0.455 4.416 3.960 0.001 0.000 0.248 583 G C 0.470 175.354 174.900 -0.026 0.000 1.422 583 G CA -0.354 44.758 45.100 0.020 0.000 1.051 583 G HN 1.154 nan 8.290 nan 0.000 0.560 584 R N 0.595 121.062 120.500 -0.055 0.000 2.504 584 R HA 0.030 4.371 4.340 0.001 0.000 0.291 584 R C -0.743 175.394 176.300 -0.272 0.000 0.974 584 R CA 0.724 56.715 56.100 -0.182 0.000 1.077 584 R CB -0.101 30.072 30.300 -0.212 0.000 0.926 584 R HN 0.648 nan 8.270 nan 0.000 0.407 585 E N 4.240 124.228 120.200 -0.353 0.000 2.275 585 E HA 0.247 4.598 4.350 0.001 0.000 0.270 585 E C -1.535 174.858 176.600 -0.344 0.000 0.882 585 E CA -0.976 55.262 56.400 -0.270 0.000 0.758 585 E CB 1.100 30.733 29.700 -0.112 0.000 1.195 585 E HN 0.574 nan 8.360 nan 0.000 0.419 586 Y N 0.594 120.858 120.300 -0.060 0.000 2.387 586 Y HA 0.493 5.044 4.550 0.001 0.000 0.336 586 Y C 0.046 175.856 175.900 -0.150 0.000 1.067 586 Y CA -0.844 57.194 58.100 -0.104 0.000 1.114 586 Y CB 2.413 40.804 38.460 -0.115 0.000 1.208 586 Y HN 0.375 nan 8.280 nan 0.000 0.458 587 T N 4.419 118.954 114.554 -0.031 0.000 2.965 587 T HA 0.331 4.681 4.350 0.001 0.000 0.306 587 T C -1.165 173.439 174.700 -0.161 0.000 0.991 587 T CA -0.578 61.453 62.100 -0.114 0.000 1.001 587 T CB 0.774 69.561 68.868 -0.136 0.000 0.984 587 T HN 0.486 nan 8.240 nan 0.000 0.446 588 L N 3.688 124.736 121.223 -0.292 0.000 2.287 588 L HA 0.777 5.117 4.340 0.001 0.000 0.287 588 L C -0.204 176.572 176.870 -0.157 0.000 1.022 588 L CA -0.117 54.537 54.840 -0.309 0.000 0.814 588 L CB 1.321 43.002 42.059 -0.631 0.000 1.217 588 L HN 0.804 nan 8.230 nan 0.000 0.420 589 S N 3.605 119.263 115.700 -0.070 0.000 2.627 589 S HA 0.957 5.427 4.470 0.001 0.000 0.283 589 S C -0.686 173.926 174.600 0.018 0.000 1.127 589 S CA -0.111 58.092 58.200 0.006 0.000 0.863 589 S CB 2.213 65.423 63.200 0.016 0.000 1.121 589 S HN 0.895 nan 8.310 nan 0.000 0.479 590 G N 0.744 109.576 108.800 0.052 0.000 2.733 590 G HA2 0.650 4.610 3.960 0.001 0.000 0.297 590 G HA3 0.650 4.610 3.960 0.001 0.000 0.297 590 G C -1.198 173.754 174.900 0.086 0.000 1.422 590 G CA -0.322 44.818 45.100 0.067 0.000 0.942 590 G HN 1.487 nan 8.290 nan 0.000 0.510 591 S N -0.487 115.269 115.700 0.093 0.000 2.546 591 S HA 0.698 5.168 4.470 0.001 0.000 0.274 591 S C -1.717 172.987 174.600 0.173 0.000 1.121 591 S CA -0.864 57.409 58.200 0.121 0.000 0.887 591 S CB 2.066 65.304 63.200 0.064 0.000 1.094 591 S HN 1.025 nan 8.310 nan 0.000 0.474 592 Y N 1.641 122.002 120.300 0.102 0.000 2.363 592 Y HA 0.529 5.079 4.550 0.001 0.000 0.325 592 Y C -0.672 175.376 175.900 0.247 0.000 0.984 592 Y CA -0.129 58.065 58.100 0.157 0.000 1.248 592 Y CB 1.450 39.994 38.460 0.140 0.000 1.116 592 Y HN 0.884 nan 8.280 nan 0.000 0.470 593 T N 6.832 121.356 114.554 -0.050 0.000 2.895 593 T HA 0.707 5.058 4.350 0.001 0.000 0.283 593 T C -1.046 173.776 174.700 0.204 0.000 1.014 593 T CA -0.359 61.782 62.100 0.068 0.000 1.037 593 T CB 1.202 70.064 68.868 -0.010 0.000 1.006 593 T HN 0.529 nan 8.240 nan 0.000 0.468 594 F N 0.000 119.939 119.950 -0.018 0.000 2.286 594 F HA 0.000 4.528 4.527 0.001 0.000 0.279 594 F CA 0.000 58.001 58.000 0.002 0.000 1.383 594 F CB 0.000 38.956 39.000 -0.074 0.000 1.145 594 F HN 0.000 nan 8.300 nan 0.000 0.574