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 1hb7_1_J DATA FIRST_RESID 15 DATA SEQUENCE LRNQQAMAAN LQARQIVLQQ SYPVIQQVET QTFDPANRSV FDVTPANVGI DATA SEQUENCE VKGFLVKVTA AITNNHATEA VALTDFGPAN LVQRVIYYDP DNQRHTETSG DATA SEQUENCE WHLHFVNTAK QGAPFLSSMV TDSPIKYGDV MNVIDAPATI AAGATGELTM DATA SEQUENCE YYWVPLAYSE TDLTGAVLAN VPQSKQRLKL EFANNNTAFA AVGANPLEAI DATA SEQUENCE YQGAGAADCE FEEISYTVYQ SYLDQLPVGQ NGYILPLIDL STLYNLENSA DATA SEQUENCE QAGLTPNVDF VVQYANLYRY LSTIAVFDNG GSFNAGTDIN YLSQRTANFS DATA SEQUENCE DTRKLDPKTW AAQTRRRIAT DFPKGVYYCD NRDKPIYTLQ YGNVGFVVNP DATA SEQUENCE KTVNQNARLL MGYEYFTSRT E 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 15 L HA 0.000 nan 4.340 nan 0.000 0.249 15 L C 0.000 176.872 176.870 0.003 0.000 1.165 15 L CA 0.000 54.843 54.840 0.005 0.000 0.813 15 L CB 0.000 42.062 42.059 0.005 0.000 0.961 16 R N 0.145 120.646 120.500 0.003 0.000 2.366 16 R HA 0.245 4.585 4.340 0.000 0.000 0.201 16 R C 1.590 177.890 176.300 -0.001 0.000 1.057 16 R CA 2.224 58.324 56.100 0.001 0.000 1.086 16 R CB -1.964 28.337 30.300 0.003 0.000 0.914 16 R HN 1.969 nan 8.270 nan 0.000 0.476 17 N N -0.451 118.248 118.700 -0.002 0.000 2.135 17 N HA -0.173 4.567 4.740 0.000 0.000 0.186 17 N C 2.488 177.992 175.510 -0.009 0.000 1.027 17 N CA 1.920 54.967 53.050 -0.006 0.000 0.849 17 N CB -0.757 37.726 38.487 -0.005 0.000 1.002 17 N HN 0.745 nan 8.380 nan 0.000 0.425 18 Q N 0.241 120.037 119.800 -0.007 0.000 2.133 18 Q HA -0.327 4.013 4.340 0.000 0.000 0.208 18 Q C 2.140 178.135 176.000 -0.009 0.000 0.991 18 Q CA 2.249 58.047 55.803 -0.009 0.000 0.867 18 Q CB -1.079 27.655 28.738 -0.006 0.000 0.911 18 Q HN 0.955 nan 8.270 nan 0.000 0.417 19 Q N -0.541 119.255 119.800 -0.006 0.000 2.079 19 Q HA 0.059 4.399 4.340 0.000 0.000 0.200 19 Q C 2.567 178.563 176.000 -0.007 0.000 0.974 19 Q CA 1.207 57.007 55.803 -0.005 0.000 0.840 19 Q CB -0.242 28.495 28.738 -0.002 0.000 0.898 19 Q HN 0.724 nan 8.270 nan 0.000 0.430 20 A N 1.264 124.079 122.820 -0.008 0.000 1.877 20 A HA -0.172 4.148 4.320 0.000 0.000 0.216 20 A C 2.141 179.715 177.584 -0.018 0.000 1.186 20 A CA 1.467 53.498 52.037 -0.011 0.000 0.620 20 A CB -0.513 18.480 19.000 -0.011 0.000 0.822 20 A HN 0.269 nan 8.150 nan 0.000 0.443 21 M N -0.604 118.983 119.600 -0.022 0.000 2.132 21 M HA -0.109 4.371 4.480 0.000 0.000 0.263 21 M C 2.558 178.843 176.300 -0.026 0.000 1.065 21 M CA 1.346 56.627 55.300 -0.031 0.000 1.122 21 M CB -0.516 32.064 32.600 -0.034 0.000 1.365 21 M HN 0.479 nan 8.290 nan 0.000 0.411 22 A N 0.664 123.473 122.820 -0.018 0.000 1.902 22 A HA -0.065 4.255 4.320 0.000 0.000 0.217 22 A C 2.399 179.976 177.584 -0.012 0.000 1.181 22 A CA 2.039 54.067 52.037 -0.014 0.000 0.623 22 A CB -0.896 18.098 19.000 -0.010 0.000 0.818 22 A HN 0.491 nan 8.150 nan 0.000 0.443 23 A N 0.220 123.034 122.820 -0.010 0.000 1.873 23 A HA -0.196 4.124 4.320 0.000 0.000 0.215 23 A C 1.959 179.538 177.584 -0.009 0.000 1.186 23 A CA 2.051 54.084 52.037 -0.006 0.000 0.616 23 A CB -0.850 18.149 19.000 -0.003 0.000 0.823 23 A HN 0.657 nan 8.150 nan 0.000 0.442 24 N N -0.273 118.417 118.700 -0.016 0.000 2.036 24 N HA -0.199 4.541 4.740 0.000 0.000 0.195 24 N C 1.582 177.077 175.510 -0.025 0.000 1.037 24 N CA 1.900 54.936 53.050 -0.023 0.000 0.855 24 N CB -0.363 38.102 38.487 -0.037 0.000 1.033 24 N HN 0.294 nan 8.380 nan 0.000 0.423 25 L N 1.087 122.293 121.223 -0.028 0.000 2.079 25 L HA -0.134 4.206 4.340 0.000 0.000 0.210 25 L C 2.337 179.196 176.870 -0.018 0.000 1.081 25 L CA 1.782 56.606 54.840 -0.027 0.000 0.752 25 L CB -1.151 40.892 42.059 -0.027 0.000 0.896 25 L HN 0.432 nan 8.230 nan 0.000 0.433 26 Q N -0.915 118.877 119.800 -0.013 0.000 2.079 26 Q HA -0.187 4.153 4.340 0.000 0.000 0.200 26 Q C 2.119 178.116 176.000 -0.005 0.000 0.974 26 Q CA 1.708 57.507 55.803 -0.007 0.000 0.840 26 Q CB -0.179 28.557 28.738 -0.003 0.000 0.898 26 Q HN 0.623 nan 8.270 nan 0.000 0.430 27 A N 1.354 124.172 122.820 -0.004 0.000 1.933 27 A HA -0.209 4.111 4.320 0.000 0.000 0.218 27 A C 2.135 179.715 177.584 -0.006 0.000 1.175 27 A CA 1.465 53.502 52.037 0.000 0.000 0.628 27 A CB -0.681 18.321 19.000 0.004 0.000 0.814 27 A HN 0.436 nan 8.150 nan 0.000 0.444 28 R N -0.277 120.215 120.500 -0.013 0.000 2.083 28 R HA -0.187 4.153 4.340 0.000 0.000 0.237 28 R C 2.286 178.576 176.300 -0.016 0.000 1.137 28 R CA 1.881 57.970 56.100 -0.018 0.000 0.951 28 R CB -0.357 29.928 30.300 -0.024 0.000 0.851 28 R HN 0.695 nan 8.270 nan 0.000 0.434 29 Q N 0.099 119.890 119.800 -0.014 0.000 2.124 29 Q HA -0.155 4.185 4.340 0.000 0.000 0.202 29 Q C 2.275 178.269 176.000 -0.010 0.000 0.977 29 Q CA 1.529 57.324 55.803 -0.013 0.000 0.850 29 Q CB -0.092 28.639 28.738 -0.011 0.000 0.901 29 Q HN 0.475 nan 8.270 nan 0.000 0.429 30 I N 0.167 120.734 120.570 -0.005 0.000 2.252 30 I HA -0.231 3.939 4.170 0.000 0.000 0.245 30 I C 2.307 178.422 176.117 -0.002 0.000 1.102 30 I CA 0.743 62.043 61.300 0.001 0.000 1.385 30 I CB -0.263 37.742 38.000 0.009 0.000 1.064 30 I HN 0.008 nan 8.210 nan 0.000 0.414 31 V N 1.201 121.109 119.914 -0.009 0.000 2.295 31 V HA -0.275 3.845 4.120 0.000 0.000 0.246 31 V C 2.405 178.486 176.094 -0.022 0.000 1.049 31 V CA 1.756 64.045 62.300 -0.019 0.000 1.024 31 V CB -0.435 31.372 31.823 -0.027 0.000 0.648 31 V HN 0.360 nan 8.190 nan 0.000 0.447 32 L N -0.368 120.840 121.223 -0.025 0.000 2.083 32 L HA -0.238 4.102 4.340 0.000 0.000 0.209 32 L C 2.622 179.472 176.870 -0.034 0.000 1.083 32 L CA 1.983 56.801 54.840 -0.036 0.000 0.752 32 L CB -0.561 41.476 42.059 -0.036 0.000 0.899 32 L HN 0.439 nan 8.230 nan 0.000 0.433 33 Q N -0.607 119.182 119.800 -0.019 0.000 2.083 33 Q HA -0.193 4.147 4.340 0.000 0.000 0.198 33 Q C 2.164 178.168 176.000 0.006 0.000 0.969 33 Q CA 1.132 56.930 55.803 -0.009 0.000 0.838 33 Q CB 0.215 28.951 28.738 -0.003 0.000 0.900 33 Q HN 0.457 nan 8.270 nan 0.000 0.436 34 Q N 0.300 120.106 119.800 0.010 0.000 2.250 34 Q HA 0.053 4.393 4.340 0.000 0.000 0.200 34 Q C 1.240 177.266 176.000 0.043 0.000 0.941 34 Q CA 0.749 56.568 55.803 0.028 0.000 0.872 34 Q CB 0.425 29.178 28.738 0.026 0.000 0.965 34 Q HN 0.346 nan 8.270 nan 0.000 0.480 35 S N -0.562 115.153 115.700 0.024 0.000 2.634 35 S HA 0.318 4.788 4.470 0.000 0.000 0.261 35 S C -0.578 174.066 174.600 0.075 0.000 1.271 35 S CA -0.631 57.594 58.200 0.042 0.000 0.985 35 S CB 0.777 63.980 63.200 0.004 0.000 0.968 35 S HN 0.205 nan 8.310 nan 0.000 0.568 36 Y N 0.840 121.120 120.300 -0.034 0.000 2.391 36 Y HA 0.524 5.074 4.550 -0.000 0.000 0.341 36 Y C -2.829 173.016 175.900 -0.093 0.000 0.965 36 Y CA -2.285 55.785 58.100 -0.051 0.000 1.067 36 Y CB 1.906 40.342 38.460 -0.041 0.000 1.199 36 Y HN 0.517 nan 8.280 nan 0.000 0.450 37 P HA 0.233 nan 4.420 nan 0.000 0.276 37 P C -1.400 175.744 177.300 -0.261 0.000 1.230 37 P CA 0.032 62.915 63.100 -0.362 0.000 0.776 37 P CB 1.055 32.515 31.700 -0.400 0.000 0.888 38 V N 4.737 124.437 119.914 -0.357 0.000 2.760 38 V HA 0.466 4.586 4.120 0.000 0.000 0.309 38 V C -0.275 175.629 176.094 -0.317 0.000 1.077 38 V CA -0.633 61.449 62.300 -0.364 0.000 0.910 38 V CB 2.345 33.754 31.823 -0.689 0.000 1.008 38 V HN 0.472 nan 8.190 nan 0.000 0.424 39 I N 3.704 124.226 120.570 -0.079 0.000 2.418 39 I HA 0.627 4.797 4.170 0.000 0.000 0.287 39 I C -0.745 175.490 176.117 0.196 0.000 1.008 39 I CA -0.093 61.251 61.300 0.074 0.000 1.104 39 I CB 1.518 39.555 38.000 0.060 0.000 1.264 39 I HN 0.843 nan 8.210 nan 0.000 0.438 40 Q N 6.678 126.682 119.800 0.340 0.000 2.331 40 Q HA 0.296 4.636 4.340 0.000 0.000 0.272 40 Q C -1.445 174.780 176.000 0.376 0.000 1.062 40 Q CA -0.756 55.269 55.803 0.369 0.000 0.806 40 Q CB 2.245 31.200 28.738 0.360 0.000 1.312 40 Q HN 0.729 nan 8.270 nan 0.000 0.431 41 Q N 2.045 121.998 119.800 0.256 0.000 2.311 41 Q HA 0.166 4.506 4.340 0.000 0.000 0.272 41 Q C 0.202 176.213 176.000 0.019 0.000 1.012 41 Q CA 0.178 55.926 55.803 -0.092 0.000 0.891 41 Q CB 0.978 29.585 28.738 -0.217 0.000 1.201 41 Q HN 0.643 nan 8.270 nan 0.000 0.391 42 V N 0.086 120.006 119.914 0.011 0.000 3.572 42 V HA 0.431 4.551 4.120 0.000 0.000 0.260 42 V C 0.074 176.182 176.094 0.023 0.000 1.324 42 V CA 0.423 62.759 62.300 0.060 0.000 1.068 42 V CB 0.404 32.303 31.823 0.128 0.000 0.837 42 V HN 0.834 nan 8.190 nan 0.000 0.450 43 E N -0.620 119.571 120.200 -0.014 0.000 2.400 43 E HA 0.521 4.872 4.350 0.000 0.000 0.285 43 E C -1.582 174.961 176.600 -0.094 0.000 1.005 43 E CA -0.295 56.094 56.400 -0.018 0.000 0.816 43 E CB 2.199 31.941 29.700 0.071 0.000 1.220 43 E HN 0.270 nan 8.360 nan 0.000 0.426 44 T N 2.554 116.989 114.554 -0.198 0.000 2.909 44 T HA 0.558 4.908 4.350 0.000 0.000 0.299 44 T C -1.394 173.003 174.700 -0.504 0.000 1.073 44 T CA -0.642 61.248 62.100 -0.350 0.000 0.999 44 T CB 1.779 70.514 68.868 -0.223 0.000 1.098 44 T HN 0.475 nan 8.240 nan 0.000 0.477 45 Q N 0.794 120.111 119.800 -0.806 0.000 2.438 45 Q HA 0.555 4.895 4.340 0.000 0.000 0.272 45 Q C -1.824 173.880 176.000 -0.493 0.000 0.994 45 Q CA -0.583 54.824 55.803 -0.660 0.000 0.887 45 Q CB 1.929 30.168 28.738 -0.831 0.000 1.432 45 Q HN 0.657 nan 8.270 nan 0.000 0.392 46 T N 3.629 118.053 114.554 -0.217 0.000 2.841 46 T HA 0.815 5.165 4.350 0.000 0.000 0.283 46 T C -1.157 173.562 174.700 0.031 0.000 1.000 46 T CA -0.400 61.612 62.100 -0.147 0.000 0.977 46 T CB 0.468 69.253 68.868 -0.139 0.000 0.979 46 T HN 0.476 nan 8.240 nan 0.000 0.446 47 F N -0.497 119.358 119.950 -0.159 0.000 2.779 47 F HA 0.740 5.267 4.527 0.000 0.000 0.316 47 F C -1.729 174.054 175.800 -0.028 0.000 1.164 47 F CA -1.262 56.710 58.000 -0.046 0.000 0.924 47 F CB 1.242 40.281 39.000 0.065 0.000 1.348 47 F HN 0.330 nan 8.300 nan 0.000 0.467 48 D N 1.377 121.858 120.400 0.136 0.000 2.381 48 D HA 0.426 5.066 4.640 0.000 0.000 0.235 48 D C -2.169 174.268 176.300 0.228 0.000 1.068 48 D CA -2.405 51.627 54.000 0.052 0.000 0.832 48 D CB 2.291 43.144 40.800 0.087 0.000 1.101 48 D HN 0.204 nan 8.370 nan 0.000 0.515 49 P HA -0.118 nan 4.420 nan 0.000 0.220 49 P C 0.905 178.332 177.300 0.211 0.000 1.144 49 P CA 1.002 64.240 63.100 0.231 0.000 0.800 49 P CB 0.312 32.021 31.700 0.015 0.000 0.772 50 A N -0.732 122.198 122.820 0.183 0.000 2.015 50 A HA -0.174 4.146 4.320 0.000 0.000 0.219 50 A C 2.057 179.714 177.584 0.122 0.000 1.163 50 A CA 1.584 53.711 52.037 0.149 0.000 0.646 50 A CB -0.827 18.250 19.000 0.129 0.000 0.806 50 A HN 0.163 nan 8.150 nan 0.000 0.448 51 N N -1.414 117.368 118.700 0.137 0.000 2.387 51 N HA 0.102 4.842 4.740 0.000 0.000 0.176 51 N C 0.750 176.300 175.510 0.067 0.000 1.022 51 N CA 0.578 53.688 53.050 0.100 0.000 0.883 51 N CB 0.203 38.755 38.487 0.110 0.000 1.019 51 N HN 0.558 nan 8.380 nan 0.000 0.435 52 R N -0.742 119.822 120.500 0.107 0.000 2.664 52 R HA 0.262 4.602 4.340 0.000 0.000 0.266 52 R C -0.924 175.375 176.300 -0.001 0.000 1.046 52 R CA -0.070 56.001 56.100 -0.049 0.000 0.885 52 R CB 0.730 30.890 30.300 -0.234 0.000 1.254 52 R HN 0.060 nan 8.270 nan 0.000 0.465 53 S N 0.102 115.722 115.700 -0.133 0.000 2.800 53 S HA 0.214 4.684 4.470 0.000 0.000 0.266 53 S C -0.674 173.940 174.600 0.025 0.000 1.029 53 S CA -0.317 57.934 58.200 0.086 0.000 1.302 53 S CB 0.858 64.184 63.200 0.210 0.000 1.212 53 S HN 0.146 nan 8.310 nan 0.000 0.683 54 V N 2.886 122.583 119.914 -0.362 0.000 2.448 54 V HA 0.677 4.797 4.120 0.000 0.000 0.295 54 V C -1.342 174.365 176.094 -0.644 0.000 1.025 54 V CA -0.422 61.700 62.300 -0.298 0.000 0.859 54 V CB 0.993 32.682 31.823 -0.223 0.000 0.988 54 V HN 0.425 nan 8.190 nan 0.000 0.431 55 F N 2.145 122.022 119.950 -0.121 0.000 2.576 55 F HA 0.508 5.035 4.527 -0.000 0.000 0.313 55 F C -0.071 175.648 175.800 -0.135 0.000 1.078 55 F CA -0.845 57.085 58.000 -0.117 0.000 0.921 55 F CB 1.966 40.911 39.000 -0.092 0.000 1.232 55 F HN 0.382 nan 8.300 nan 0.000 0.459 56 D N 2.594 123.029 120.400 0.059 0.000 2.441 56 D HA 0.361 5.001 4.640 0.000 0.000 0.231 56 D C -1.177 175.129 176.300 0.010 0.000 1.073 56 D CA -0.086 53.905 54.000 -0.016 0.000 0.850 56 D CB 1.649 42.415 40.800 -0.056 0.000 1.062 56 D HN 0.219 nan 8.370 nan 0.000 0.524 57 V N 3.364 123.257 119.914 -0.035 0.000 2.546 57 V HA 0.276 4.396 4.120 0.000 0.000 0.284 57 V C 0.686 176.742 176.094 -0.064 0.000 1.050 57 V CA -0.227 62.056 62.300 -0.027 0.000 0.981 57 V CB 1.683 33.460 31.823 -0.077 0.000 0.990 57 V HN 0.530 nan 8.190 nan 0.000 0.474 58 T N 7.273 121.813 114.554 -0.023 0.000 2.801 58 T HA 0.384 4.734 4.350 0.000 0.000 0.306 58 T C -2.332 172.373 174.700 0.009 0.000 1.020 58 T CA -0.867 61.220 62.100 -0.022 0.000 0.948 58 T CB 1.198 70.060 68.868 -0.010 0.000 0.962 58 T HN 0.474 nan 8.240 nan 0.000 0.465 59 P HA 0.386 nan 4.420 nan 0.000 0.273 59 P C -0.711 176.647 177.300 0.098 0.000 1.250 59 P CA -0.562 62.623 63.100 0.141 0.000 0.793 59 P CB 0.473 32.360 31.700 0.311 0.000 1.011 60 A N 1.178 124.048 122.820 0.084 0.000 2.327 60 A HA 0.228 4.548 4.320 0.000 0.000 0.283 60 A C 0.013 177.573 177.584 -0.040 0.000 1.127 60 A CA -0.473 51.562 52.037 -0.004 0.000 0.810 60 A CB -0.380 18.585 19.000 -0.059 0.000 1.066 60 A HN 0.572 nan 8.150 nan 0.000 0.492 61 N N 0.920 119.598 118.700 -0.037 0.000 2.868 61 N HA 0.362 5.102 4.740 0.000 0.000 0.252 61 N C -1.165 174.298 175.510 -0.079 0.000 1.130 61 N CA -0.029 53.001 53.050 -0.032 0.000 1.026 61 N CB 0.935 39.423 38.487 0.001 0.000 1.335 61 N HN 0.390 nan 8.380 nan 0.000 0.516 62 V N 1.563 121.372 119.914 -0.176 0.000 2.733 62 V HA 0.675 4.795 4.120 0.000 0.000 0.306 62 V C 0.638 176.626 176.094 -0.175 0.000 1.084 62 V CA 0.174 62.347 62.300 -0.211 0.000 0.905 62 V CB 0.943 32.539 31.823 -0.379 0.000 1.010 62 V HN 0.759 nan 8.190 nan 0.000 0.424 63 G N 6.261 115.042 108.800 -0.032 0.000 2.594 63 G HA2 -0.266 3.694 3.960 0.000 0.000 0.297 63 G HA3 -0.266 3.694 3.960 0.000 0.000 0.297 63 G C -0.095 174.812 174.900 0.012 0.000 1.273 63 G CA 0.545 45.656 45.100 0.017 0.000 0.974 63 G HN 1.247 nan 8.290 nan 0.000 0.552 64 I N 0.764 121.362 120.570 0.047 0.000 2.312 64 I HA 0.374 4.544 4.170 0.000 0.000 0.290 64 I C 0.390 176.547 176.117 0.067 0.000 1.008 64 I CA -0.722 60.597 61.300 0.032 0.000 1.226 64 I CB 1.569 39.574 38.000 0.008 0.000 1.371 64 I HN 0.319 nan 8.210 nan 0.000 0.468 65 V N 7.702 127.626 119.914 0.018 0.000 2.461 65 V HA 0.183 4.303 4.120 0.000 0.000 0.275 65 V C 0.923 176.956 176.094 -0.101 0.000 1.047 65 V CA -0.283 61.991 62.300 -0.044 0.000 0.955 65 V CB 1.118 32.869 31.823 -0.120 0.000 0.988 65 V HN 0.754 nan 8.190 nan 0.000 0.471 66 K N 2.925 123.267 120.400 -0.097 0.000 2.276 66 K HA 0.458 4.778 4.320 0.000 0.000 0.198 66 K C 0.807 177.316 176.600 -0.152 0.000 1.052 66 K CA 0.722 56.991 56.287 -0.030 0.000 0.984 66 K CB 0.766 33.333 32.500 0.112 0.000 0.836 66 K HN 0.899 nan 8.250 nan 0.000 0.490 67 G N 0.222 108.714 108.800 -0.513 0.000 2.320 67 G HA2 0.389 4.349 3.960 0.000 0.000 0.296 67 G HA3 0.389 4.349 3.960 0.000 0.000 0.296 67 G C -1.975 172.058 174.900 -1.445 0.000 1.306 67 G CA -0.995 43.439 45.100 -1.110 0.000 0.836 67 G HN -0.002 nan 8.290 nan 0.000 0.517 68 F N -0.456 118.892 119.950 -1.004 0.000 2.547 68 F HA 0.642 5.169 4.527 0.000 0.000 0.316 68 F C -0.225 175.437 175.800 -0.229 0.000 1.121 68 F CA -0.806 56.950 58.000 -0.405 0.000 0.911 68 F CB 2.397 41.260 39.000 -0.228 0.000 1.179 68 F HN 0.414 nan 8.300 nan 0.000 0.443 69 L N 4.615 126.093 121.223 0.425 0.000 2.265 69 L HA 0.699 5.039 4.340 0.000 0.000 0.289 69 L C -1.034 176.173 176.870 0.563 0.000 1.033 69 L CA -0.480 54.748 54.840 0.647 0.000 0.814 69 L CB 1.080 43.571 42.059 0.720 0.000 1.203 69 L HN 0.400 nan 8.230 nan 0.000 0.423 70 V N 5.641 125.851 119.914 0.493 0.000 2.347 70 V HA 0.400 4.520 4.120 0.000 0.000 0.280 70 V C 0.040 176.329 176.094 0.325 0.000 1.021 70 V CA -0.789 61.741 62.300 0.383 0.000 0.847 70 V CB 1.182 33.163 31.823 0.263 0.000 0.990 70 V HN 0.714 nan 8.190 nan 0.000 0.444 71 K N 4.281 124.788 120.400 0.179 0.000 2.211 71 K HA 0.703 5.023 4.320 0.000 0.000 0.275 71 K C -1.389 175.209 176.600 -0.003 0.000 1.024 71 K CA -0.387 55.749 56.287 -0.251 0.000 0.887 71 K CB 1.594 33.956 32.500 -0.230 0.000 1.084 71 K HN 0.504 nan 8.250 nan 0.000 0.463 72 V N 3.529 123.427 119.914 -0.028 0.000 2.531 72 V HA 0.360 4.480 4.120 0.000 0.000 0.301 72 V C -0.379 175.746 176.094 0.052 0.000 1.034 72 V CA -0.834 61.551 62.300 0.141 0.000 0.865 72 V CB 1.670 33.704 31.823 0.350 0.000 0.995 72 V HN 1.000 nan 8.190 nan 0.000 0.424 73 T N 1.324 115.897 114.554 0.033 0.000 2.887 73 T HA 0.957 5.307 4.350 0.000 0.000 0.288 73 T C -0.490 174.227 174.700 0.028 0.000 1.021 73 T CA -0.540 61.578 62.100 0.030 0.000 1.000 73 T CB 2.271 71.144 68.868 0.008 0.000 1.034 73 T HN 1.354 nan 8.240 nan 0.000 0.467 74 A N 0.835 123.706 122.820 0.085 0.000 2.594 74 A HA 0.909 5.229 4.320 0.000 0.000 0.295 74 A C -0.954 176.722 177.584 0.152 0.000 1.071 74 A CA -0.807 51.311 52.037 0.135 0.000 0.685 74 A CB 1.270 20.456 19.000 0.308 0.000 1.285 74 A HN 1.658 nan 8.150 nan 0.000 0.405 75 A N 1.362 124.275 122.820 0.154 0.000 2.318 75 A HA 0.766 5.086 4.320 0.000 0.000 0.317 75 A C -0.832 176.818 177.584 0.110 0.000 1.159 75 A CA -0.288 51.808 52.037 0.099 0.000 0.799 75 A CB 0.369 19.397 19.000 0.047 0.000 1.194 75 A HN 0.747 nan 8.150 nan 0.000 0.479 76 I N 2.092 122.673 120.570 0.017 0.000 2.406 76 I HA 0.340 4.510 4.170 0.000 0.000 0.290 76 I C -0.261 175.759 176.117 -0.161 0.000 0.999 76 I CA -0.228 61.008 61.300 -0.107 0.000 1.124 76 I CB 2.413 40.327 38.000 -0.142 0.000 1.289 76 I HN 0.559 nan 8.210 nan 0.000 0.441 77 T N 4.458 118.900 114.554 -0.186 0.000 2.771 77 T HA 0.215 4.565 4.350 0.000 0.000 0.281 77 T C -0.056 174.488 174.700 -0.260 0.000 0.982 77 T CA -0.536 61.456 62.100 -0.179 0.000 0.978 77 T CB 0.801 69.603 68.868 -0.111 0.000 0.930 77 T HN 0.384 nan 8.240 nan 0.000 0.447 78 N N 2.954 121.514 118.700 -0.233 0.000 2.521 78 N HA 0.073 4.813 4.740 0.000 0.000 0.236 78 N C 0.651 176.082 175.510 -0.132 0.000 1.067 78 N CA -0.246 52.667 53.050 -0.228 0.000 0.939 78 N CB 0.192 38.556 38.487 -0.205 0.000 1.201 78 N HN 0.666 nan 8.380 nan 0.000 0.511 79 N N 2.277 120.901 118.700 -0.125 0.000 2.383 79 N HA -0.109 4.631 4.740 0.000 0.000 0.192 79 N C -0.194 175.284 175.510 -0.054 0.000 1.141 79 N CA -0.205 52.796 53.050 -0.083 0.000 0.851 79 N CB 0.104 38.539 38.487 -0.088 0.000 0.976 79 N HN 0.566 nan 8.380 nan 0.000 0.465 80 H N -0.308 118.695 119.070 -0.112 0.000 2.852 80 H HA 0.169 4.725 4.556 0.000 0.000 0.362 80 H C 1.240 176.529 175.328 -0.065 0.000 1.122 80 H CA 0.740 56.737 56.048 -0.084 0.000 1.419 80 H CB 1.346 31.057 29.762 -0.085 0.000 1.401 80 H HN 0.177 nan 8.280 nan 0.000 0.609 81 A N 2.403 125.017 122.820 -0.343 0.000 1.898 81 A HA -0.112 4.208 4.320 0.000 0.000 0.216 81 A C 1.881 179.494 177.584 0.047 0.000 1.181 81 A CA 2.079 54.034 52.037 -0.135 0.000 0.620 81 A CB -0.466 18.412 19.000 -0.204 0.000 0.819 81 A HN 0.870 nan 8.150 nan 0.000 0.442 82 T N -4.823 109.894 114.554 0.272 0.000 3.046 82 T HA 0.206 4.556 4.350 0.000 0.000 0.270 82 T C -0.074 174.703 174.700 0.129 0.000 0.920 82 T CA -0.295 61.911 62.100 0.178 0.000 0.874 82 T CB 0.205 69.139 68.868 0.111 0.000 1.214 82 T HN 0.176 nan 8.240 nan 0.000 0.536 83 E N 1.603 121.866 120.200 0.106 0.000 2.204 83 E HA 0.755 5.105 4.350 0.000 0.000 0.276 83 E C -0.250 176.238 176.600 -0.186 0.000 0.974 83 E CA -0.449 55.821 56.400 -0.218 0.000 0.815 83 E CB 2.015 31.363 29.700 -0.587 0.000 1.119 83 E HN 0.516 nan 8.360 nan 0.000 0.393 84 A N 1.915 124.661 122.820 -0.123 0.000 2.247 84 A HA 0.728 5.048 4.320 0.000 0.000 0.313 84 A C -0.114 177.416 177.584 -0.091 0.000 1.109 84 A CA -0.542 51.438 52.037 -0.095 0.000 0.890 84 A CB 0.785 19.753 19.000 -0.052 0.000 1.239 84 A HN 0.400 nan 8.150 nan 0.000 0.506 85 V N -4.083 115.796 119.914 -0.059 0.000 3.078 85 V HA 0.949 5.069 4.120 0.000 0.000 0.311 85 V C -0.246 175.931 176.094 0.138 0.000 1.138 85 V CA -0.329 61.986 62.300 0.024 0.000 1.007 85 V CB 1.125 32.964 31.823 0.027 0.000 1.045 85 V HN 1.913 nan 8.190 nan 0.000 0.432 86 A N 2.451 125.410 122.820 0.231 0.000 2.454 86 A HA 0.852 5.172 4.320 0.000 0.000 0.302 86 A C -0.561 177.154 177.584 0.218 0.000 1.079 86 A CA -0.994 51.197 52.037 0.257 0.000 0.731 86 A CB 1.467 20.531 19.000 0.107 0.000 1.299 86 A HN 1.106 nan 8.150 nan 0.000 0.413 87 L N 1.881 123.121 121.223 0.029 0.000 2.543 87 L HA 0.123 4.463 4.340 0.000 0.000 0.285 87 L C 1.490 178.260 176.870 -0.167 0.000 1.236 87 L CA 0.162 54.812 54.840 -0.318 0.000 0.871 87 L CB 0.372 42.278 42.059 -0.255 0.000 1.121 87 L HN 0.997 nan 8.230 nan 0.000 0.501 88 T N -1.880 112.546 114.554 -0.213 0.000 2.770 88 T HA 0.084 4.434 4.350 0.000 0.000 0.281 88 T C 0.757 175.369 174.700 -0.147 0.000 0.981 88 T CA -0.786 61.206 62.100 -0.179 0.000 0.955 88 T CB 0.785 69.512 68.868 -0.236 0.000 1.060 88 T HN 0.504 nan 8.240 nan 0.000 0.531 89 D N -0.221 120.065 120.400 -0.190 0.000 2.178 89 D HA -0.016 4.624 4.640 0.000 0.000 0.201 89 D C 1.528 177.970 176.300 0.236 0.000 0.980 89 D CA 1.064 55.044 54.000 -0.033 0.000 0.842 89 D CB -0.228 40.505 40.800 -0.112 0.000 0.948 89 D HN 0.472 nan 8.370 nan 0.000 0.472 90 F N 0.190 120.065 119.950 -0.124 0.000 2.473 90 F HA 0.245 4.772 4.527 0.000 0.000 0.294 90 F C 2.187 177.932 175.800 -0.091 0.000 1.103 90 F CA 0.414 58.377 58.000 -0.062 0.000 1.442 90 F CB -0.950 37.982 39.000 -0.113 0.000 1.097 90 F HN -0.027 nan 8.300 nan 0.000 0.547 91 G N 2.675 111.492 108.800 0.028 0.000 2.672 91 G HA2 -0.339 3.621 3.960 0.000 0.000 0.324 91 G HA3 -0.339 3.621 3.960 0.000 0.000 0.324 91 G C -1.117 173.755 174.900 -0.047 0.000 1.286 91 G CA 0.558 45.595 45.100 -0.105 0.000 1.004 91 G HN 0.209 nan 8.290 nan 0.000 0.548 92 P HA 0.039 nan 4.420 nan 0.000 0.228 92 P C 1.602 178.914 177.300 0.019 0.000 1.151 92 P CA 2.273 65.382 63.100 0.015 0.000 0.770 92 P CB -0.378 31.324 31.700 0.004 0.000 0.786 93 A N 0.057 122.849 122.820 -0.047 0.000 2.172 93 A HA -0.094 4.226 4.320 0.000 0.000 0.216 93 A C 1.839 179.557 177.584 0.224 0.000 1.154 93 A CA 0.996 53.000 52.037 -0.055 0.000 0.701 93 A CB -0.972 17.886 19.000 -0.236 0.000 0.789 93 A HN 0.125 nan 8.150 nan 0.000 0.465 94 N N -0.383 118.447 118.700 0.217 0.000 2.268 94 N HA 0.184 4.924 4.740 0.000 0.000 0.204 94 N C 1.054 176.707 175.510 0.238 0.000 1.124 94 N CA 0.077 53.277 53.050 0.251 0.000 0.838 94 N CB 0.105 38.720 38.487 0.213 0.000 0.994 94 N HN 0.468 nan 8.380 nan 0.000 0.489 95 L N -0.253 121.145 121.223 0.291 0.000 2.201 95 L HA -0.004 4.336 4.340 0.000 0.000 0.212 95 L C 0.303 177.351 176.870 0.297 0.000 1.105 95 L CA 0.786 55.826 54.840 0.333 0.000 0.775 95 L CB 0.226 42.504 42.059 0.365 0.000 0.913 95 L HN -0.120 nan 8.230 nan 0.000 0.440 96 V N -0.097 119.916 119.914 0.165 0.000 2.384 96 V HA 0.130 4.250 4.120 0.000 0.000 0.287 96 V C 0.533 176.532 176.094 -0.157 0.000 1.020 96 V CA -0.549 61.615 62.300 -0.226 0.000 0.850 96 V CB 1.708 33.081 31.823 -0.750 0.000 0.987 96 V HN 0.162 nan 8.190 nan 0.000 0.436 97 Q N 3.507 123.226 119.800 -0.136 0.000 2.123 97 Q HA 0.195 4.535 4.340 0.000 0.000 0.196 97 Q C 0.468 176.375 176.000 -0.155 0.000 0.958 97 Q CA 1.019 56.785 55.803 -0.062 0.000 0.841 97 Q CB 0.463 29.198 28.738 -0.005 0.000 0.915 97 Q HN 0.627 nan 8.270 nan 0.000 0.455 98 R N -1.053 119.305 120.500 -0.237 0.000 2.710 98 R HA 0.632 4.972 4.340 0.000 0.000 0.270 98 R C -1.377 174.734 176.300 -0.314 0.000 1.021 98 R CA -0.519 55.431 56.100 -0.249 0.000 0.889 98 R CB 2.251 32.452 30.300 -0.165 0.000 1.243 98 R HN -0.187 nan 8.270 nan 0.000 0.464 99 V N 2.569 122.315 119.914 -0.280 0.000 2.841 99 V HA 0.621 4.741 4.120 0.000 0.000 0.310 99 V C -0.766 175.215 176.094 -0.189 0.000 1.090 99 V CA -0.679 61.457 62.300 -0.273 0.000 0.930 99 V CB 2.326 33.964 31.823 -0.310 0.000 1.014 99 V HN 0.566 nan 8.190 nan 0.000 0.425 100 I N 3.686 124.165 120.570 -0.152 0.000 2.607 100 I HA 0.452 4.622 4.170 0.000 0.000 0.290 100 I C -1.741 174.325 176.117 -0.085 0.000 1.129 100 I CA -0.704 60.516 61.300 -0.132 0.000 1.042 100 I CB 2.374 40.307 38.000 -0.113 0.000 1.242 100 I HN 0.688 nan 8.210 nan 0.000 0.421 101 Y N 6.250 126.405 120.300 -0.241 0.000 2.376 101 Y HA 0.593 5.143 4.550 -0.000 0.000 0.340 101 Y C -1.711 174.064 175.900 -0.208 0.000 0.965 101 Y CA -0.699 57.295 58.100 -0.178 0.000 1.078 101 Y CB 1.286 39.649 38.460 -0.162 0.000 1.193 101 Y HN 0.361 nan 8.280 nan 0.000 0.452 102 Y N 4.656 124.447 120.300 -0.849 0.000 2.364 102 Y HA 0.294 4.844 4.550 -0.000 0.000 0.340 102 Y C -0.104 175.258 175.900 -0.897 0.000 0.975 102 Y CA -1.029 56.730 58.100 -0.568 0.000 1.089 102 Y CB 1.166 39.440 38.460 -0.311 0.000 1.192 102 Y HN 0.716 nan 8.280 nan 0.000 0.454 103 D N 2.695 122.947 120.400 -0.247 0.000 2.451 103 D HA 0.237 4.877 4.640 0.000 0.000 0.259 103 D C -2.207 174.094 176.300 0.001 0.000 1.201 103 D CA -2.287 51.666 54.000 -0.078 0.000 1.028 103 D CB 0.385 41.327 40.800 0.237 0.000 1.095 103 D HN 0.169 nan 8.370 nan 0.000 0.539 104 P HA -0.062 nan 4.420 nan 0.000 0.221 104 P C -0.040 177.286 177.300 0.043 0.000 1.145 104 P CA 1.016 64.138 63.100 0.037 0.000 0.795 104 P CB 0.103 31.835 31.700 0.054 0.000 0.775 105 D N -1.677 118.767 120.400 0.073 0.000 2.358 105 D HA 0.034 4.674 4.640 0.000 0.000 0.224 105 D C 0.465 176.809 176.300 0.074 0.000 1.123 105 D CA 0.050 54.093 54.000 0.070 0.000 0.833 105 D CB -1.064 39.787 40.800 0.085 0.000 0.946 105 D HN 0.208 nan 8.370 nan 0.000 0.505 106 N N 0.637 119.382 118.700 0.076 0.000 2.800 106 N HA -0.261 4.479 4.740 0.000 0.000 0.250 106 N C -0.163 175.462 175.510 0.191 0.000 1.078 106 N CA 0.189 53.303 53.050 0.106 0.000 0.804 106 N CB -0.424 38.092 38.487 0.049 0.000 1.135 106 N HN 0.158 nan 8.380 nan 0.000 0.565 107 Q N 1.614 121.518 119.800 0.172 0.000 2.256 107 Q HA 0.355 4.695 4.340 0.000 0.000 0.254 107 Q C -0.518 175.573 176.000 0.153 0.000 0.916 107 Q CA -0.246 55.643 55.803 0.144 0.000 0.932 107 Q CB 0.879 29.679 28.738 0.103 0.000 1.207 107 Q HN 0.182 nan 8.270 nan 0.000 0.426 108 R N 2.948 123.450 120.500 0.003 0.000 2.441 108 R HA 0.283 4.623 4.340 0.000 0.000 0.284 108 R C 0.261 176.568 176.300 0.013 0.000 1.070 108 R CA -0.140 55.863 56.100 -0.162 0.000 1.047 108 R CB 0.687 30.774 30.300 -0.355 0.000 1.016 108 R HN 0.820 nan 8.270 nan 0.000 0.477 109 H N 0.200 119.232 119.070 -0.062 0.000 5.067 109 H HA 0.147 4.703 4.556 0.000 0.000 0.118 109 H C 0.077 175.325 175.328 -0.133 0.000 1.355 109 H CA -0.366 55.660 56.048 -0.035 0.000 0.741 109 H CB 0.279 30.089 29.762 0.081 0.000 1.615 109 H HN 0.380 nan 8.280 nan 0.000 0.266 110 T N 1.530 116.089 114.554 0.008 0.000 2.916 110 T HA 0.089 4.439 4.350 0.000 0.000 0.303 110 T C 0.110 174.745 174.700 -0.108 0.000 1.025 110 T CA 0.463 62.489 62.100 -0.123 0.000 1.142 110 T CB 0.321 69.079 68.868 -0.184 0.000 0.947 110 T HN 0.394 nan 8.240 nan 0.000 0.544 111 E N 2.203 122.343 120.200 -0.100 0.000 2.642 111 E HA 0.431 4.781 4.350 0.000 0.000 0.284 111 E C -0.778 175.779 176.600 -0.071 0.000 1.039 111 E CA -0.474 55.868 56.400 -0.096 0.000 0.777 111 E CB 0.910 30.562 29.700 -0.080 0.000 1.473 111 E HN 0.589 nan 8.360 nan 0.000 0.388 112 T N 0.977 115.463 114.554 -0.114 0.000 2.671 112 T HA 0.463 4.813 4.350 0.000 0.000 0.300 112 T C -0.912 173.655 174.700 -0.223 0.000 1.238 112 T CA -0.193 61.834 62.100 -0.121 0.000 1.020 112 T CB 1.049 69.915 68.868 -0.003 0.000 1.503 112 T HN 0.419 nan 8.240 nan 0.000 0.497 113 S N -0.046 115.449 115.700 -0.342 0.000 2.617 113 S HA 0.489 4.959 4.470 0.000 0.000 0.269 113 S C 1.620 175.957 174.600 -0.440 0.000 1.292 113 S CA 0.054 57.976 58.200 -0.463 0.000 1.010 113 S CB 0.859 63.543 63.200 -0.860 0.000 0.944 113 S HN 1.071 nan 8.310 nan 0.000 0.536 114 G N 1.079 109.679 108.800 -0.334 0.000 2.418 114 G HA2 -0.171 3.789 3.960 0.000 0.000 0.217 114 G HA3 -0.171 3.789 3.960 0.000 0.000 0.217 114 G C 1.322 176.211 174.900 -0.018 0.000 1.158 114 G CA 0.754 45.709 45.100 -0.241 0.000 0.771 114 G HN 0.960 nan 8.290 nan 0.000 0.545 115 W N 0.194 121.451 121.300 -0.072 0.000 2.388 115 W HA -0.022 4.638 4.660 0.000 0.000 0.294 115 W C 1.784 177.991 176.519 -0.519 0.000 1.212 115 W CA 0.835 57.952 57.345 -0.381 0.000 1.271 115 W CB -1.032 28.167 29.460 -0.435 0.000 1.126 115 W HN 0.417 nan 8.180 nan 0.000 0.535 116 H N 1.265 119.973 119.070 -0.602 0.000 2.357 116 H HA -0.180 4.376 4.556 -0.000 0.000 0.301 116 H C 2.351 177.573 175.328 -0.176 0.000 1.082 116 H CA 1.784 57.610 56.048 -0.370 0.000 1.342 116 H CB -0.124 29.255 29.762 -0.640 0.000 1.389 116 H HN 0.118 nan 8.280 nan 0.000 0.511 117 L N 1.060 122.061 121.223 -0.369 0.000 2.042 117 L HA -0.217 4.123 4.340 0.000 0.000 0.210 117 L C 2.589 179.361 176.870 -0.163 0.000 1.076 117 L CA 2.456 57.113 54.840 -0.304 0.000 0.749 117 L CB -1.111 40.839 42.059 -0.183 0.000 0.893 117 L HN 0.375 nan 8.230 nan 0.000 0.432 118 H N -1.037 117.958 119.070 -0.124 0.000 2.353 118 H HA -0.187 4.369 4.556 0.000 0.000 0.300 118 H C 1.929 177.238 175.328 -0.032 0.000 1.090 118 H CA 2.231 58.201 56.048 -0.131 0.000 1.327 118 H CB -0.587 29.069 29.762 -0.176 0.000 1.383 118 H HN 0.473 nan 8.280 nan 0.000 0.508 119 F N -0.731 119.103 119.950 -0.193 0.000 2.216 119 F HA -0.162 4.365 4.527 -0.000 0.000 0.300 119 F C 2.539 178.273 175.800 -0.110 0.000 1.085 119 F CA 0.559 58.497 58.000 -0.103 0.000 1.326 119 F CB -0.056 38.930 39.000 -0.023 0.000 1.027 119 F HN 0.087 nan 8.300 nan 0.000 0.497 120 V N 0.257 120.157 119.914 -0.024 0.000 2.427 120 V HA -0.287 3.833 4.120 0.000 0.000 0.248 120 V C 1.668 177.702 176.094 -0.101 0.000 1.051 120 V CA 1.957 64.226 62.300 -0.052 0.000 1.048 120 V CB -0.773 30.949 31.823 -0.169 0.000 0.666 120 V HN 0.377 nan 8.190 nan 0.000 0.456 121 N N -0.302 118.251 118.700 -0.245 0.000 2.104 121 N HA -0.191 4.549 4.740 0.000 0.000 0.190 121 N C 1.835 177.211 175.510 -0.225 0.000 1.024 121 N CA 1.830 54.615 53.050 -0.442 0.000 0.853 121 N CB -0.201 37.625 38.487 -1.103 0.000 1.008 121 N HN 0.418 nan 8.380 nan 0.000 0.424 122 T N 0.574 115.026 114.554 -0.170 0.000 2.708 122 T HA -0.090 4.260 4.350 0.000 0.000 0.266 122 T C 2.057 176.718 174.700 -0.066 0.000 1.037 122 T CA 1.193 63.261 62.100 -0.052 0.000 1.146 122 T CB -0.334 68.477 68.868 -0.096 0.000 0.865 122 T HN 0.332 nan 8.240 nan 0.000 0.435 123 A N 1.893 124.682 122.820 -0.052 0.000 1.908 123 A HA -0.153 4.167 4.320 0.000 0.000 0.218 123 A C 2.278 179.845 177.584 -0.027 0.000 1.181 123 A CA 1.393 53.362 52.037 -0.113 0.000 0.627 123 A CB -0.331 18.563 19.000 -0.177 0.000 0.818 123 A HN 0.290 nan 8.150 nan 0.000 0.445 124 K N -0.629 119.762 120.400 -0.015 0.000 2.155 124 K HA -0.138 4.182 4.320 0.000 0.000 0.203 124 K C 2.146 178.724 176.600 -0.035 0.000 1.052 124 K CA 1.444 57.712 56.287 -0.031 0.000 0.948 124 K CB -0.237 32.218 32.500 -0.075 0.000 0.728 124 K HN 0.766 nan 8.250 nan 0.000 0.448 125 Q N -0.063 119.734 119.800 -0.005 0.000 2.187 125 Q HA -0.077 4.263 4.340 0.000 0.000 0.199 125 Q C 0.652 176.635 176.000 -0.028 0.000 0.957 125 Q CA 1.311 57.117 55.803 0.005 0.000 0.857 125 Q CB 0.241 29.032 28.738 0.090 0.000 0.929 125 Q HN 0.441 nan 8.270 nan 0.000 0.453 126 G N -0.621 108.154 108.800 -0.040 0.000 2.141 126 G HA2 -0.163 3.797 3.960 0.000 0.000 0.231 126 G HA3 -0.163 3.797 3.960 0.000 0.000 0.231 126 G C -0.060 174.792 174.900 -0.079 0.000 0.984 126 G CA 0.187 45.255 45.100 -0.054 0.000 0.660 126 G HN 0.826 nan 8.290 nan 0.000 0.525 127 A N -1.278 121.492 122.820 -0.083 0.000 2.586 127 A HA 0.795 5.115 4.320 0.000 0.000 0.291 127 A C -3.143 174.399 177.584 -0.069 0.000 1.062 127 A CA -0.764 51.217 52.037 -0.095 0.000 0.666 127 A CB 0.706 19.662 19.000 -0.074 0.000 1.281 127 A HN 0.151 nan 8.150 nan 0.000 0.421 128 P HA 0.118 nan 4.420 nan 0.000 0.258 128 P C -0.350 177.010 177.300 0.100 0.000 1.172 128 P CA 0.550 63.659 63.100 0.015 0.000 0.762 128 P CB -0.159 31.552 31.700 0.018 0.000 0.764 129 F N 5.761 125.713 119.950 0.003 0.000 2.604 129 F HA -0.067 4.460 4.527 0.000 0.000 0.393 129 F C 1.177 176.995 175.800 0.031 0.000 1.043 129 F CA 0.381 58.392 58.000 0.019 0.000 1.227 129 F CB -0.400 38.637 39.000 0.061 0.000 1.016 129 F HN 0.275 nan 8.300 nan 0.000 0.556 130 L N 3.581 124.433 121.223 -0.618 0.000 3.839 130 L HA -0.323 4.017 4.340 0.000 0.000 0.416 130 L C 0.624 177.340 176.870 -0.257 0.000 1.195 130 L CA 0.557 55.051 54.840 -0.575 0.000 0.946 130 L CB -2.343 39.222 42.059 -0.824 0.000 1.891 130 L HN 0.734 nan 8.230 nan 0.000 0.963 131 S N -1.829 113.785 115.700 -0.145 0.000 2.645 131 S HA 0.530 5.000 4.470 0.000 0.000 0.266 131 S C 0.318 174.867 174.600 -0.085 0.000 1.258 131 S CA -0.026 58.128 58.200 -0.076 0.000 0.990 131 S CB 2.192 65.373 63.200 -0.031 0.000 0.967 131 S HN 0.278 nan 8.310 nan 0.000 0.556 132 S N 1.556 117.222 115.700 -0.056 0.000 2.498 132 S HA 0.403 4.873 4.470 0.000 0.000 0.324 132 S C -0.358 174.220 174.600 -0.038 0.000 1.071 132 S CA -0.837 57.335 58.200 -0.048 0.000 1.113 132 S CB -0.042 63.142 63.200 -0.027 0.000 0.976 132 S HN 0.786 nan 8.310 nan 0.000 0.462 133 M N 5.976 125.546 119.600 -0.050 0.000 2.238 133 M HA 0.383 4.863 4.480 0.000 0.000 0.347 133 M C -1.089 175.190 176.300 -0.034 0.000 1.173 133 M CA -0.229 55.044 55.300 -0.046 0.000 1.147 133 M CB 0.638 33.200 32.600 -0.063 0.000 1.547 133 M HN 0.424 nan 8.290 nan 0.000 0.455 134 V N 4.647 124.546 119.914 -0.024 0.000 2.465 134 V HA 0.503 4.623 4.120 0.000 0.000 0.279 134 V C 0.424 176.507 176.094 -0.018 0.000 1.045 134 V CA -0.243 62.049 62.300 -0.013 0.000 0.938 134 V CB 1.072 32.892 31.823 -0.006 0.000 0.986 134 V HN 1.022 nan 8.190 nan 0.000 0.467 135 T N -0.231 114.316 114.554 -0.011 0.000 2.838 135 T HA 0.347 4.697 4.350 0.000 0.000 0.292 135 T C 0.259 174.962 174.700 0.004 0.000 1.113 135 T CA -0.278 61.813 62.100 -0.015 0.000 1.008 135 T CB 1.903 70.747 68.868 -0.040 0.000 1.259 135 T HN 0.632 nan 8.240 nan 0.000 0.520 136 D N -0.058 120.343 120.400 0.003 0.000 2.336 136 D HA 0.073 4.713 4.640 0.000 0.000 0.229 136 D C 0.656 176.972 176.300 0.028 0.000 1.061 136 D CA -0.177 53.830 54.000 0.012 0.000 0.875 136 D CB -0.379 40.424 40.800 0.006 0.000 0.904 136 D HN 0.390 nan 8.370 nan 0.000 0.525 137 S N 1.786 117.512 115.700 0.044 0.000 2.544 137 S HA 0.081 4.551 4.470 0.000 0.000 0.290 137 S C -1.048 173.605 174.600 0.088 0.000 1.276 137 S CA -0.930 57.321 58.200 0.085 0.000 1.075 137 S CB 0.998 64.297 63.200 0.165 0.000 0.849 137 S HN 0.099 nan 8.310 nan 0.000 0.494 138 P HA 0.066 nan 4.420 nan 0.000 0.225 138 P C 0.115 177.430 177.300 0.026 0.000 1.156 138 P CA 0.324 63.446 63.100 0.037 0.000 0.787 138 P CB -0.040 31.674 31.700 0.023 0.000 0.802 139 I N 1.172 121.770 120.570 0.046 0.000 2.648 139 I HA -0.020 4.150 4.170 0.000 0.000 0.284 139 I C 1.321 177.378 176.117 -0.100 0.000 1.153 139 I CA 0.276 61.543 61.300 -0.056 0.000 1.426 139 I CB 0.180 38.137 38.000 -0.071 0.000 1.381 139 I HN -0.269 nan 8.210 nan 0.000 0.571 140 K N 6.642 126.936 120.400 -0.178 0.000 3.233 140 K HA 0.083 4.403 4.320 0.000 0.000 0.283 140 K C -0.707 175.802 176.600 -0.151 0.000 1.209 140 K CA -0.004 56.209 56.287 -0.123 0.000 1.197 140 K CB -0.567 31.880 32.500 -0.088 0.000 1.431 140 K HN 0.389 nan 8.250 nan 0.000 0.326 141 Y N 0.426 120.714 120.300 -0.019 0.000 2.296 141 Y HA 0.303 4.853 4.550 0.000 0.000 0.343 141 Y C 1.546 177.433 175.900 -0.023 0.000 1.292 141 Y CA 0.573 58.658 58.100 -0.024 0.000 1.490 141 Y CB 0.917 39.361 38.460 -0.028 0.000 1.359 141 Y HN 0.448 nan 8.280 nan 0.000 0.599 142 G N 0.164 109.057 108.800 0.155 0.000 2.332 142 G HA2 -0.043 3.917 3.960 0.000 0.000 0.265 142 G HA3 -0.043 3.917 3.960 0.000 0.000 0.265 142 G C -1.792 173.131 174.900 0.039 0.000 1.329 142 G CA -0.862 44.282 45.100 0.073 0.000 0.949 142 G HN 0.525 nan 8.290 nan 0.000 0.476 143 D N 0.522 120.936 120.400 0.022 0.000 2.508 143 D HA 0.445 5.085 4.640 0.000 0.000 0.224 143 D C 1.371 177.678 176.300 0.012 0.000 1.171 143 D CA 0.094 54.101 54.000 0.012 0.000 1.006 143 D CB 0.701 41.508 40.800 0.011 0.000 1.073 143 D HN 0.244 nan 8.370 nan 0.000 0.513 144 V N 2.849 122.768 119.914 0.009 0.000 2.575 144 V HA -0.030 4.090 4.120 0.000 0.000 0.242 144 V C 1.877 177.974 176.094 0.006 0.000 1.045 144 V CA 0.780 63.082 62.300 0.004 0.000 1.065 144 V CB -0.122 31.700 31.823 -0.002 0.000 0.717 144 V HN 0.556 nan 8.190 nan 0.000 0.467 145 M N -0.409 119.193 119.600 0.003 0.000 2.371 145 M HA 0.283 4.763 4.480 0.000 0.000 0.246 145 M C 0.369 176.683 176.300 0.024 0.000 1.103 145 M CA 0.091 55.396 55.300 0.009 0.000 1.010 145 M CB -0.651 31.945 32.600 -0.005 0.000 1.457 145 M HN 0.386 nan 8.290 nan 0.000 0.486 146 N N 1.149 119.862 118.700 0.022 0.000 2.699 146 N HA -0.142 4.598 4.740 0.000 0.000 0.256 146 N C 1.022 176.570 175.510 0.063 0.000 0.993 146 N CA 0.264 53.337 53.050 0.038 0.000 0.759 146 N CB -1.233 37.283 38.487 0.047 0.000 0.906 146 N HN 0.156 nan 8.380 nan 0.000 0.541 147 V N -0.198 119.735 119.914 0.033 0.000 2.287 147 V HA -0.109 4.011 4.120 0.000 0.000 0.248 147 V C 1.408 177.600 176.094 0.163 0.000 1.053 147 V CA 1.558 63.888 62.300 0.050 0.000 1.027 147 V CB 0.021 31.762 31.823 -0.137 0.000 0.646 147 V HN 0.410 nan 8.190 nan 0.000 0.447 148 I N 0.422 121.042 120.570 0.084 0.000 2.410 148 I HA 0.486 4.656 4.170 0.000 0.000 0.286 148 I C -1.140 175.014 176.117 0.062 0.000 1.009 148 I CA -0.305 61.055 61.300 0.100 0.000 1.111 148 I CB 1.760 39.800 38.000 0.066 0.000 1.262 148 I HN 0.222 nan 8.210 nan 0.000 0.443 149 D N 5.444 125.885 120.400 0.069 0.000 2.717 149 D HA 0.802 5.442 4.640 0.000 0.000 0.223 149 D C -1.613 174.731 176.300 0.073 0.000 1.240 149 D CA -0.303 53.734 54.000 0.062 0.000 0.801 149 D CB 2.315 43.155 40.800 0.066 0.000 1.556 149 D HN 0.681 nan 8.370 nan 0.000 0.462 150 A N 2.623 125.488 122.820 0.075 0.000 2.555 150 A HA 0.632 4.952 4.320 0.000 0.000 0.297 150 A C -2.847 174.815 177.584 0.130 0.000 1.060 150 A CA -1.205 50.900 52.037 0.114 0.000 0.710 150 A CB 1.156 20.207 19.000 0.084 0.000 1.282 150 A HN 0.433 nan 8.150 nan 0.000 0.399 151 P HA 0.339 nan 4.420 nan 0.000 0.268 151 P C 1.075 178.505 177.300 0.218 0.000 1.204 151 P CA 0.532 63.731 63.100 0.165 0.000 0.768 151 P CB 1.118 32.901 31.700 0.139 0.000 0.842 152 A N 3.027 125.930 122.820 0.138 0.000 1.978 152 A HA -0.021 4.299 4.320 0.000 0.000 0.220 152 A C 1.007 178.708 177.584 0.196 0.000 1.170 152 A CA 1.997 54.109 52.037 0.124 0.000 0.636 152 A CB -0.904 18.140 19.000 0.073 0.000 0.810 152 A HN 0.643 nan 8.150 nan 0.000 0.448 153 T N -3.862 110.799 114.554 0.178 0.000 2.883 153 T HA 0.676 5.026 4.350 0.000 0.000 0.301 153 T C -0.873 173.849 174.700 0.038 0.000 1.158 153 T CA -0.622 61.566 62.100 0.147 0.000 1.007 153 T CB 1.492 70.401 68.868 0.068 0.000 1.186 153 T HN 0.167 nan 8.240 nan 0.000 0.499 154 I N 1.735 122.249 120.570 -0.093 0.000 2.439 154 I HA 0.571 4.741 4.170 0.000 0.000 0.283 154 I C 0.617 176.654 176.117 -0.133 0.000 1.023 154 I CA -1.105 60.085 61.300 -0.182 0.000 1.100 154 I CB 1.442 39.197 38.000 -0.409 0.000 1.238 154 I HN 1.033 nan 8.210 nan 0.000 0.445 155 A N 4.727 127.498 122.820 -0.082 0.000 2.346 155 A HA 0.702 5.022 4.320 0.000 0.000 0.252 155 A C 0.645 178.190 177.584 -0.066 0.000 1.089 155 A CA -0.269 51.732 52.037 -0.060 0.000 0.797 155 A CB 0.438 19.417 19.000 -0.035 0.000 1.047 155 A HN 0.837 nan 8.150 nan 0.000 0.494 156 A N -0.026 122.771 122.820 -0.039 0.000 2.566 156 A HA 0.452 4.772 4.320 0.000 0.000 0.245 156 A C 1.623 179.192 177.584 -0.025 0.000 1.056 156 A CA 0.961 52.992 52.037 -0.011 0.000 0.757 156 A CB -1.115 17.910 19.000 0.042 0.000 0.979 156 A HN 2.752 nan 8.150 nan 0.000 0.508 157 G N 0.884 109.661 108.800 -0.039 0.000 2.199 157 G HA2 0.139 4.099 3.960 0.000 0.000 0.254 157 G HA3 0.139 4.099 3.960 0.000 0.000 0.254 157 G C 0.565 175.432 174.900 -0.055 0.000 0.982 157 G CA 0.571 45.644 45.100 -0.045 0.000 0.632 157 G HN 2.180 nan 8.290 nan 0.000 0.529 158 A N -0.483 122.297 122.820 -0.068 0.000 2.264 158 A HA 0.846 5.166 4.320 0.000 0.000 0.304 158 A C 0.259 177.787 177.584 -0.092 0.000 1.100 158 A CA 0.685 52.680 52.037 -0.070 0.000 0.839 158 A CB 1.051 20.012 19.000 -0.066 0.000 1.121 158 A HN 0.710 nan 8.150 nan 0.000 0.496 159 T N 0.535 115.045 114.554 -0.073 0.000 2.812 159 T HA 0.611 4.961 4.350 0.000 0.000 0.282 159 T C 0.154 174.819 174.700 -0.058 0.000 0.990 159 T CA 0.057 62.112 62.100 -0.074 0.000 0.960 159 T CB 1.496 70.336 68.868 -0.047 0.000 0.948 159 T HN 1.044 nan 8.240 nan 0.000 0.438 160 G N 1.908 110.666 108.800 -0.070 0.000 2.400 160 G HA2 0.636 4.596 3.960 0.000 0.000 0.333 160 G HA3 0.636 4.596 3.960 0.000 0.000 0.333 160 G C -0.883 174.033 174.900 0.027 0.000 1.143 160 G CA -0.576 44.510 45.100 -0.024 0.000 0.914 160 G HN 0.497 nan 8.290 nan 0.000 0.480 161 E N 0.622 120.854 120.200 0.053 0.000 2.158 161 E HA 0.481 4.831 4.350 0.000 0.000 0.271 161 E C -0.914 175.746 176.600 0.100 0.000 0.911 161 E CA -0.518 55.924 56.400 0.070 0.000 0.767 161 E CB 2.386 32.117 29.700 0.050 0.000 1.120 161 E HN 0.133 nan 8.360 nan 0.000 0.405 162 L N 1.398 122.693 121.223 0.121 0.000 2.341 162 L HA 0.538 4.878 4.340 0.000 0.000 0.267 162 L C 0.046 176.980 176.870 0.108 0.000 1.009 162 L CA -0.470 54.450 54.840 0.133 0.000 0.819 162 L CB 2.109 44.279 42.059 0.185 0.000 1.323 162 L HN 0.330 nan 8.230 nan 0.000 0.425 163 T N 2.233 116.845 114.554 0.097 0.000 2.921 163 T HA 0.736 5.086 4.350 0.000 0.000 0.297 163 T C -1.091 173.654 174.700 0.076 0.000 1.013 163 T CA -0.363 61.785 62.100 0.081 0.000 0.990 163 T CB 1.638 70.573 68.868 0.113 0.000 1.023 163 T HN 0.439 nan 8.240 nan 0.000 0.447 164 M N 3.178 122.791 119.600 0.022 0.000 2.501 164 M HA 0.683 5.163 4.480 0.000 0.000 0.293 164 M C -2.374 173.879 176.300 -0.079 0.000 1.192 164 M CA -0.759 54.530 55.300 -0.017 0.000 0.886 164 M CB 1.693 34.260 32.600 -0.056 0.000 1.710 164 M HN 0.619 nan 8.290 nan 0.000 0.457 165 Y N 2.721 122.989 120.300 -0.053 0.000 2.462 165 Y HA 0.706 5.256 4.550 -0.000 0.000 0.346 165 Y C -1.528 174.416 175.900 0.073 0.000 0.976 165 Y CA -0.329 57.853 58.100 0.135 0.000 1.044 165 Y CB 2.062 40.657 38.460 0.224 0.000 1.230 165 Y HN 0.623 nan 8.280 nan 0.000 0.455 166 Y N 1.203 121.798 120.300 0.491 0.000 2.477 166 Y HA 0.284 4.834 4.550 0.000 0.000 0.347 166 Y C -1.021 175.097 175.900 0.363 0.000 0.981 166 Y CA -1.553 56.729 58.100 0.303 0.000 1.033 166 Y CB 2.038 40.563 38.460 0.108 0.000 1.245 166 Y HN 0.643 nan 8.280 nan 0.000 0.455 167 W N 5.003 126.387 121.300 0.140 0.000 2.361 167 W HA 0.666 5.326 4.660 -0.000 0.000 0.314 167 W C -1.905 174.639 176.519 0.041 0.000 1.041 167 W CA -1.020 56.398 57.345 0.121 0.000 1.241 167 W CB 1.452 30.942 29.460 0.051 0.000 1.279 167 W HN 0.310 nan 8.180 nan 0.000 0.436 168 V N 9.391 129.019 119.914 -0.477 0.000 2.334 168 V HA 0.192 4.312 4.120 0.000 0.000 0.267 168 V C -1.589 174.012 176.094 -0.822 0.000 1.040 168 V CA -1.523 60.508 62.300 -0.447 0.000 0.866 168 V CB 0.949 32.640 31.823 -0.221 0.000 1.019 168 V HN 0.357 nan 8.190 nan 0.000 0.468 169 P HA 0.396 nan 4.420 nan 0.000 0.286 169 P C 0.031 177.229 177.300 -0.172 0.000 1.261 169 P CA -0.316 62.619 63.100 -0.275 0.000 0.821 169 P CB 2.538 34.398 31.700 0.268 0.000 1.013 170 L N 1.294 122.458 121.223 -0.098 0.000 2.675 170 L HA 0.324 4.664 4.340 0.000 0.000 0.178 170 L C 1.362 178.361 176.870 0.215 0.000 1.135 170 L CA 0.099 54.900 54.840 -0.067 0.000 0.855 170 L CB -0.780 41.104 42.059 -0.291 0.000 1.235 170 L HN 0.325 nan 8.230 nan 0.000 0.499 171 A N -0.906 122.010 122.820 0.159 0.000 2.445 171 A HA -0.014 4.306 4.320 0.000 0.000 0.242 171 A C 0.524 178.261 177.584 0.255 0.000 1.075 171 A CA 0.028 52.180 52.037 0.192 0.000 0.777 171 A CB -0.016 19.060 19.000 0.126 0.000 1.013 171 A HN 0.361 nan 8.150 nan 0.000 0.493 172 Y N 2.246 122.535 120.300 -0.018 0.000 2.181 172 Y HA -0.023 4.527 4.550 0.000 0.000 0.288 172 Y C 1.276 177.130 175.900 -0.077 0.000 1.146 172 Y CA 1.788 59.706 58.100 -0.303 0.000 1.164 172 Y CB 0.021 38.324 38.460 -0.260 0.000 0.982 172 Y HN 0.878 nan 8.280 nan 0.000 0.515 173 S N -2.421 113.256 115.700 -0.038 0.000 2.790 173 S HA 0.269 4.739 4.470 0.000 0.000 0.292 173 S C 0.350 174.933 174.600 -0.028 0.000 1.197 173 S CA -0.622 57.514 58.200 -0.108 0.000 0.851 173 S CB 1.079 64.201 63.200 -0.130 0.000 1.217 173 S HN 0.082 nan 8.310 nan 0.000 0.526 174 E N 1.100 121.254 120.200 -0.076 0.000 2.274 174 E HA 0.001 4.351 4.350 0.000 0.000 0.194 174 E C 1.695 178.268 176.600 -0.044 0.000 0.996 174 E CA 1.822 58.179 56.400 -0.072 0.000 0.840 174 E CB -0.326 29.303 29.700 -0.119 0.000 0.772 174 E HN 0.847 nan 8.360 nan 0.000 0.491 175 T N -2.431 112.108 114.554 -0.024 0.000 2.985 175 T HA 0.057 4.407 4.350 0.000 0.000 0.254 175 T C 0.445 175.153 174.700 0.014 0.000 1.021 175 T CA -0.305 61.788 62.100 -0.011 0.000 0.957 175 T CB 0.439 69.299 68.868 -0.013 0.000 1.047 175 T HN -0.207 nan 8.240 nan 0.000 0.511 176 D N 1.197 121.628 120.400 0.051 0.000 2.453 176 D HA 0.310 4.950 4.640 0.000 0.000 0.238 176 D C 0.625 176.963 176.300 0.062 0.000 1.088 176 D CA -0.673 53.368 54.000 0.068 0.000 0.854 176 D CB 1.021 41.925 40.800 0.173 0.000 1.076 176 D HN 0.216 nan 8.370 nan 0.000 0.533 177 L N 2.501 123.733 121.223 0.015 0.000 2.627 177 L HA 0.086 4.426 4.340 0.000 0.000 0.233 177 L C 0.773 177.642 176.870 -0.002 0.000 1.144 177 L CA 0.158 55.008 54.840 0.016 0.000 0.892 177 L CB -0.344 41.716 42.059 0.001 0.000 1.039 177 L HN 0.255 nan 8.230 nan 0.000 0.442 178 T N 0.860 115.379 114.554 -0.058 0.000 2.871 178 T HA 0.227 4.577 4.350 0.000 0.000 0.296 178 T C 1.259 175.951 174.700 -0.014 0.000 0.998 178 T CA 1.055 63.050 62.100 -0.174 0.000 1.162 178 T CB 0.846 69.398 68.868 -0.528 0.000 0.947 178 T HN 0.632 nan 8.240 nan 0.000 0.536 179 G N 2.055 110.875 108.800 0.034 0.000 2.195 179 G HA2 -0.094 3.866 3.960 0.000 0.000 0.246 179 G HA3 -0.094 3.866 3.960 0.000 0.000 0.246 179 G C 0.363 175.376 174.900 0.189 0.000 0.984 179 G CA -0.031 45.190 45.100 0.202 0.000 0.633 179 G HN 1.158 nan 8.290 nan 0.000 0.525 180 A N -0.474 122.410 122.820 0.106 0.000 2.386 180 A HA 0.649 4.969 4.320 0.000 0.000 0.246 180 A C 0.403 178.029 177.584 0.070 0.000 1.089 180 A CA 0.747 52.821 52.037 0.060 0.000 0.790 180 A CB 0.874 19.896 19.000 0.037 0.000 1.042 180 A HN 1.195 nan 8.150 nan 0.000 0.497 181 V N 1.882 121.814 119.914 0.030 0.000 2.448 181 V HA 0.289 4.409 4.120 0.000 0.000 0.295 181 V C -0.475 175.650 176.094 0.052 0.000 1.025 181 V CA -0.509 61.828 62.300 0.063 0.000 0.859 181 V CB 1.341 33.199 31.823 0.060 0.000 0.988 181 V HN 0.768 nan 8.190 nan 0.000 0.431 182 L N 5.180 126.442 121.223 0.064 0.000 2.325 182 L HA 0.589 4.929 4.340 0.000 0.000 0.284 182 L C 0.865 177.771 176.870 0.059 0.000 1.089 182 L CA 0.699 55.568 54.840 0.048 0.000 0.836 182 L CB 0.993 43.085 42.059 0.055 0.000 1.184 182 L HN 0.748 nan 8.230 nan 0.000 0.444 183 A N 2.621 125.465 122.820 0.040 0.000 2.469 183 A HA 0.247 4.567 4.320 0.000 0.000 0.245 183 A C 1.545 179.146 177.584 0.028 0.000 1.221 183 A CA 0.481 52.542 52.037 0.040 0.000 0.946 183 A CB -0.807 18.213 19.000 0.034 0.000 1.049 183 A HN 0.766 nan 8.150 nan 0.000 0.529 184 N N 0.363 119.085 118.700 0.038 0.000 2.459 184 N HA 0.342 5.082 4.740 0.000 0.000 0.181 184 N C 1.298 176.855 175.510 0.079 0.000 1.046 184 N CA 1.072 54.156 53.050 0.058 0.000 0.904 184 N CB -0.906 37.639 38.487 0.097 0.000 0.964 184 N HN 0.781 nan 8.380 nan 0.000 0.444 185 V N 0.316 120.278 119.914 0.080 0.000 4.119 185 V HA 0.229 4.349 4.120 0.000 0.000 0.286 185 V C -1.142 174.984 176.094 0.054 0.000 0.996 185 V CA -0.514 61.832 62.300 0.076 0.000 1.027 185 V CB -1.133 30.735 31.823 0.074 0.000 1.193 185 V HN 0.306 nan 8.190 nan 0.000 0.454 186 P HA 0.188 nan 4.420 nan 0.000 0.274 186 P C 0.736 178.052 177.300 0.026 0.000 1.209 186 P CA 1.458 64.577 63.100 0.032 0.000 0.790 186 P CB 0.079 31.796 31.700 0.029 0.000 0.834 187 Q N 0.954 120.765 119.800 0.017 0.000 2.369 187 Q HA -0.040 4.300 4.340 0.000 0.000 0.206 187 Q C 1.252 177.255 176.000 0.006 0.000 0.963 187 Q CA 1.298 57.108 55.803 0.011 0.000 0.894 187 Q CB -0.881 27.861 28.738 0.007 0.000 0.965 187 Q HN 0.514 nan 8.270 nan 0.000 0.475 188 S N 1.304 117.007 115.700 0.006 0.000 2.702 188 S HA 0.111 4.581 4.470 0.000 0.000 0.314 188 S C 0.398 174.995 174.600 -0.005 0.000 1.244 188 S CA 0.182 58.380 58.200 -0.003 0.000 1.058 188 S CB 0.007 63.208 63.200 0.002 0.000 0.783 188 S HN 0.723 nan 8.310 nan 0.000 0.503 189 K N 4.345 124.732 120.400 -0.021 0.000 2.202 189 K HA 0.281 4.601 4.320 0.000 0.000 0.264 189 K C -0.068 176.505 176.600 -0.046 0.000 1.010 189 K CA -0.606 55.665 56.287 -0.027 0.000 0.940 189 K CB 0.543 33.020 32.500 -0.038 0.000 0.983 189 K HN 0.634 nan 8.250 nan 0.000 0.475 190 Q N 1.087 120.866 119.800 -0.035 0.000 2.212 190 Q HA 0.325 4.665 4.340 0.000 0.000 0.238 190 Q C -0.772 175.145 176.000 -0.137 0.000 0.955 190 Q CA -0.723 55.027 55.803 -0.088 0.000 0.906 190 Q CB 1.526 30.294 28.738 0.049 0.000 1.215 190 Q HN 0.461 nan 8.270 nan 0.000 0.478 191 R N 1.218 121.570 120.500 -0.246 0.000 2.483 191 R HA 0.379 4.719 4.340 0.000 0.000 0.303 191 R C -1.627 174.557 176.300 -0.193 0.000 0.987 191 R CA -0.736 55.259 56.100 -0.176 0.000 0.881 191 R CB 1.191 31.403 30.300 -0.147 0.000 1.177 191 R HN 0.330 nan 8.270 nan 0.000 0.451 192 L N 3.788 124.907 121.223 -0.173 0.000 2.301 192 L HA 0.390 4.730 4.340 0.000 0.000 0.278 192 L C -0.866 175.905 176.870 -0.165 0.000 1.022 192 L CA -0.255 54.468 54.840 -0.193 0.000 0.854 192 L CB 0.808 42.604 42.059 -0.438 0.000 1.226 192 L HN 0.398 nan 8.230 nan 0.000 0.429 193 K N 6.144 126.475 120.400 -0.114 0.000 2.201 193 K HA 0.598 4.918 4.320 0.000 0.000 0.278 193 K C -1.219 175.258 176.600 -0.204 0.000 1.027 193 K CA -0.408 55.809 56.287 -0.117 0.000 0.909 193 K CB 1.343 33.817 32.500 -0.044 0.000 1.062 193 K HN 0.541 nan 8.250 nan 0.000 0.465 194 L N 2.473 123.549 121.223 -0.244 0.000 2.381 194 L HA 0.358 4.698 4.340 0.000 0.000 0.274 194 L C -0.435 176.199 176.870 -0.393 0.000 0.988 194 L CA -0.621 53.956 54.840 -0.439 0.000 0.824 194 L CB 1.937 43.596 42.059 -0.666 0.000 1.263 194 L HN 0.649 nan 8.230 nan 0.000 0.410 195 E N 3.207 123.155 120.200 -0.420 0.000 2.129 195 E HA 0.449 4.799 4.350 0.000 0.000 0.268 195 E C -1.299 175.122 176.600 -0.298 0.000 0.900 195 E CA -0.609 55.650 56.400 -0.235 0.000 0.755 195 E CB 1.031 30.648 29.700 -0.139 0.000 1.117 195 E HN 0.299 nan 8.360 nan 0.000 0.410 196 F N 1.903 121.865 119.950 0.021 0.000 2.370 196 F HA 0.462 4.989 4.527 0.000 0.000 0.319 196 F C 1.076 176.903 175.800 0.046 0.000 1.129 196 F CA -0.544 57.494 58.000 0.063 0.000 1.109 196 F CB 0.834 39.965 39.000 0.219 0.000 1.262 196 F HN 0.507 nan 8.300 nan 0.000 0.534 197 A N 1.654 124.620 122.820 0.244 0.000 2.448 197 A HA 0.397 4.717 4.320 0.000 0.000 0.239 197 A C -0.260 177.382 177.584 0.097 0.000 1.080 197 A CA -0.167 51.972 52.037 0.170 0.000 0.779 197 A CB -0.194 18.956 19.000 0.249 0.000 1.026 197 A HN 0.892 nan 8.150 nan 0.000 0.499 198 N N -0.716 118.096 118.700 0.188 0.000 3.102 198 N HA 0.254 4.995 4.740 0.000 0.000 0.299 198 N C -0.120 175.638 175.510 0.414 0.000 1.482 198 N CA -0.822 52.367 53.050 0.231 0.000 0.785 198 N CB 0.350 38.946 38.487 0.182 0.000 1.680 198 N HN 0.298 nan 8.380 nan 0.000 0.594 199 N N -0.567 118.400 118.700 0.445 0.000 2.520 199 N HA -0.037 4.703 4.740 0.000 0.000 0.185 199 N C -0.028 175.693 175.510 0.352 0.000 1.068 199 N CA 0.668 54.020 53.050 0.504 0.000 0.911 199 N CB -0.536 38.202 38.487 0.417 0.000 0.961 199 N HN 0.579 nan 8.380 nan 0.000 0.446 200 N N -1.031 117.807 118.700 0.229 0.000 2.388 200 N HA -0.025 4.715 4.740 0.000 0.000 0.176 200 N C 1.502 177.082 175.510 0.117 0.000 1.062 200 N CA 0.800 53.950 53.050 0.166 0.000 0.895 200 N CB 0.390 38.955 38.487 0.130 0.000 1.018 200 N HN 0.244 nan 8.380 nan 0.000 0.456 201 T N -2.850 111.757 114.554 0.088 0.000 3.000 201 T HA 0.311 4.661 4.350 0.000 0.000 0.248 201 T C 1.848 176.514 174.700 -0.058 0.000 1.034 201 T CA 0.159 62.286 62.100 0.045 0.000 1.060 201 T CB 0.099 69.013 68.868 0.077 0.000 0.983 201 T HN 0.039 nan 8.240 nan 0.000 0.482 202 A N 0.807 123.482 122.820 -0.242 0.000 2.066 202 A HA 0.409 4.729 4.320 0.000 0.000 0.218 202 A C 0.288 177.366 177.584 -0.842 0.000 1.157 202 A CA 0.174 51.831 52.037 -0.633 0.000 0.670 202 A CB -0.626 17.773 19.000 -1.002 0.000 0.804 202 A HN 0.600 nan 8.150 nan 0.000 0.453 203 F N -0.845 119.164 119.950 0.098 0.000 2.477 203 F HA 0.648 5.175 4.527 0.000 0.000 0.335 203 F C 0.222 176.056 175.800 0.057 0.000 1.130 203 F CA -0.810 57.231 58.000 0.069 0.000 0.948 203 F CB 1.745 40.764 39.000 0.032 0.000 1.154 203 F HN 0.051 nan 8.300 nan 0.000 0.439 204 A N 2.211 125.142 122.820 0.185 0.000 2.304 204 A HA 0.854 5.174 4.320 0.000 0.000 0.323 204 A C -0.214 177.428 177.584 0.096 0.000 1.195 204 A CA -0.633 51.470 52.037 0.109 0.000 0.826 204 A CB 0.678 19.710 19.000 0.053 0.000 1.184 204 A HN 0.942 nan 8.150 nan 0.000 0.496 205 A N 1.802 124.667 122.820 0.076 0.000 2.366 205 A HA 0.525 4.845 4.320 0.000 0.000 0.249 205 A C 0.431 178.034 177.584 0.032 0.000 1.084 205 A CA -0.295 51.772 52.037 0.049 0.000 0.794 205 A CB -0.007 19.020 19.000 0.045 0.000 1.034 205 A HN 1.214 nan 8.150 nan 0.000 0.491 206 V N 1.375 121.298 119.914 0.016 0.000 2.694 206 V HA 0.353 4.473 4.120 0.000 0.000 0.306 206 V C 1.704 177.805 176.094 0.011 0.000 1.054 206 V CA 1.855 64.160 62.300 0.009 0.000 1.161 206 V CB 0.015 31.837 31.823 -0.002 0.000 0.916 206 V HN 1.981 nan 8.190 nan 0.000 0.490 207 G N 3.133 111.938 108.800 0.009 0.000 2.225 207 G HA2 -0.126 3.834 3.960 0.000 0.000 0.254 207 G HA3 -0.126 3.834 3.960 0.000 0.000 0.254 207 G C 0.382 175.288 174.900 0.010 0.000 0.988 207 G CA 0.288 45.391 45.100 0.006 0.000 0.625 207 G HN 1.524 nan 8.290 nan 0.000 0.527 208 A N -0.235 122.597 122.820 0.019 0.000 2.264 208 A HA 0.675 4.995 4.320 0.000 0.000 0.304 208 A C 0.469 178.071 177.584 0.029 0.000 1.100 208 A CA 0.019 52.071 52.037 0.026 0.000 0.839 208 A CB 0.455 19.477 19.000 0.037 0.000 1.121 208 A HN 0.491 nan 8.150 nan 0.000 0.496 209 N N 1.166 119.888 118.700 0.036 0.000 2.452 209 N HA 0.137 4.877 4.740 0.000 0.000 0.266 209 N C -1.774 173.760 175.510 0.040 0.000 1.209 209 N CA -1.284 51.803 53.050 0.061 0.000 0.929 209 N CB 1.008 39.534 38.487 0.065 0.000 1.063 209 N HN 0.351 nan 8.380 nan 0.000 0.472 210 P HA 0.000 nan 4.420 nan 0.000 0.261 210 P C 1.506 178.637 177.300 -0.282 0.000 1.268 210 P CA -0.135 62.898 63.100 -0.111 0.000 0.833 210 P CB 0.472 32.087 31.700 -0.142 0.000 1.231 211 L N 1.558 122.633 121.223 -0.248 0.000 2.010 211 L HA -0.188 4.152 4.340 0.000 0.000 0.219 211 L C 1.737 178.404 176.870 -0.338 0.000 1.077 211 L CA 2.207 56.772 54.840 -0.459 0.000 0.773 211 L CB -0.888 41.144 42.059 -0.045 0.000 0.892 211 L HN -0.119 nan 8.230 nan 0.000 0.436 212 E N -0.008 120.154 120.200 -0.063 0.000 2.474 212 E HA 0.288 4.638 4.350 0.000 0.000 0.195 212 E C 0.685 177.306 176.600 0.036 0.000 1.039 212 E CA 0.574 57.020 56.400 0.077 0.000 0.881 212 E CB -0.064 29.719 29.700 0.139 0.000 0.970 212 E HN 0.577 nan 8.360 nan 0.000 0.486 213 A N 0.748 123.538 122.820 -0.050 0.000 2.271 213 A HA 0.507 4.827 4.320 0.000 0.000 0.288 213 A C 1.107 178.645 177.584 -0.077 0.000 1.094 213 A CA -0.446 51.556 52.037 -0.059 0.000 0.828 213 A CB 0.532 19.503 19.000 -0.048 0.000 1.091 213 A HN 0.047 nan 8.150 nan 0.000 0.493 214 I N -1.569 118.947 120.570 -0.091 0.000 3.039 214 I HA 0.120 4.290 4.170 0.000 0.000 0.270 214 I C -0.352 175.579 176.117 -0.310 0.000 1.150 214 I CA 0.658 61.872 61.300 -0.142 0.000 1.448 214 I CB -0.011 37.966 38.000 -0.038 0.000 1.197 214 I HN 0.585 nan 8.210 nan 0.000 0.450 215 Y N 0.346 120.667 120.300 0.035 0.000 2.499 215 Y HA 0.563 5.113 4.550 0.000 0.000 0.347 215 Y C -0.237 175.717 175.900 0.091 0.000 0.987 215 Y CA -0.737 57.419 58.100 0.092 0.000 1.044 215 Y CB 1.763 40.331 38.460 0.179 0.000 1.245 215 Y HN -0.062 nan 8.280 nan 0.000 0.461 216 Q N 1.305 121.228 119.800 0.206 0.000 2.359 216 Q HA 0.770 5.110 4.340 0.000 0.000 0.274 216 Q C -0.979 175.077 176.000 0.094 0.000 1.074 216 Q CA -0.640 55.236 55.803 0.120 0.000 0.810 216 Q CB 2.691 31.455 28.738 0.044 0.000 1.342 216 Q HN 0.969 nan 8.270 nan 0.000 0.427 217 G N 0.344 109.176 108.800 0.053 0.000 2.336 217 G HA2 0.352 4.312 3.960 0.000 0.000 0.300 217 G HA3 0.352 4.312 3.960 0.000 0.000 0.300 217 G C -0.207 174.666 174.900 -0.044 0.000 1.375 217 G CA -0.128 44.974 45.100 0.004 0.000 0.885 217 G HN 0.739 nan 8.290 nan 0.000 0.599 218 A N -0.840 121.924 122.820 -0.093 0.000 2.024 218 A HA 0.292 4.612 4.320 0.000 0.000 0.220 218 A C 2.276 179.669 177.584 -0.319 0.000 1.164 218 A CA 2.800 54.741 52.037 -0.159 0.000 0.643 218 A CB -0.490 18.412 19.000 -0.163 0.000 0.806 218 A HN 2.032 nan 8.150 nan 0.000 0.451 219 G N -1.702 106.884 108.800 -0.356 0.000 3.189 219 G HA2 0.350 4.310 3.960 0.000 0.000 0.225 219 G HA3 0.350 4.310 3.960 0.000 0.000 0.225 219 G C 1.263 176.069 174.900 -0.156 0.000 1.159 219 G CA 0.863 45.686 45.100 -0.461 0.000 0.763 219 G HN 0.625 nan 8.290 nan 0.000 0.549 220 A N 1.448 124.215 122.820 -0.088 0.000 1.892 220 A HA 0.104 4.424 4.320 0.000 0.000 0.218 220 A C 2.771 180.345 177.584 -0.016 0.000 1.188 220 A CA 2.232 54.259 52.037 -0.017 0.000 0.631 220 A CB -0.732 18.320 19.000 0.088 0.000 0.822 220 A HN 0.805 nan 8.150 nan 0.000 0.447 221 A N -0.651 122.187 122.820 0.030 0.000 2.032 221 A HA -0.173 4.147 4.320 0.000 0.000 0.221 221 A C 1.343 178.933 177.584 0.011 0.000 1.165 221 A CA 1.807 53.874 52.037 0.050 0.000 0.645 221 A CB -0.355 18.687 19.000 0.071 0.000 0.807 221 A HN 0.488 nan 8.150 nan 0.000 0.453 222 D N -1.236 119.162 120.400 -0.003 0.000 2.424 222 D HA 0.200 4.840 4.640 0.000 0.000 0.220 222 D C -0.367 175.816 176.300 -0.194 0.000 1.150 222 D CA -0.044 53.925 54.000 -0.052 0.000 0.831 222 D CB -0.094 40.714 40.800 0.013 0.000 0.981 222 D HN 0.290 nan 8.370 nan 0.000 0.500 223 C N 1.539 120.600 119.300 -0.398 0.000 2.398 223 C HA 0.572 5.032 4.460 0.000 0.000 0.364 223 C C 0.528 175.008 174.990 -0.850 0.000 1.219 223 C CA -0.508 58.032 59.018 -0.797 0.000 2.312 223 C CB 0.876 27.759 27.740 -1.429 0.000 2.428 223 C HN 0.400 nan 8.230 nan 0.000 0.564 224 E N 0.605 120.398 120.200 -0.677 0.000 2.407 224 E HA 0.457 4.807 4.350 0.000 0.000 0.279 224 E C -1.733 174.819 176.600 -0.080 0.000 1.012 224 E CA -0.686 55.588 56.400 -0.210 0.000 0.800 224 E CB 0.625 30.302 29.700 -0.039 0.000 1.276 224 E HN 0.401 nan 8.360 nan 0.000 0.452 225 F N 1.461 121.530 119.950 0.197 0.000 2.427 225 F HA 0.157 4.684 4.527 0.000 0.000 0.352 225 F C 1.780 177.602 175.800 0.036 0.000 1.100 225 F CA 0.043 58.127 58.000 0.139 0.000 1.191 225 F CB 1.442 40.514 39.000 0.121 0.000 1.128 225 F HN 0.764 nan 8.300 nan 0.000 0.533 226 E N 2.428 122.738 120.200 0.183 0.000 2.076 226 E HA -0.047 4.303 4.350 0.000 0.000 0.190 226 E C -0.239 176.397 176.600 0.061 0.000 0.979 226 E CA 0.889 57.339 56.400 0.083 0.000 0.807 226 E CB 0.367 30.090 29.700 0.038 0.000 0.761 226 E HN 0.806 nan 8.360 nan 0.000 0.454 227 E N -1.013 119.222 120.200 0.058 0.000 2.398 227 E HA 0.351 4.701 4.350 0.000 0.000 0.280 227 E C -1.304 175.162 176.600 -0.223 0.000 1.122 227 E CA -0.689 55.639 56.400 -0.121 0.000 0.873 227 E CB 0.544 30.164 29.700 -0.133 0.000 1.294 227 E HN 0.044 nan 8.360 nan 0.000 0.435 228 I N 0.955 121.157 120.570 -0.613 0.000 2.647 228 I HA 0.565 4.735 4.170 0.000 0.000 0.295 228 I C -0.897 174.793 176.117 -0.712 0.000 1.078 228 I CA -0.944 59.930 61.300 -0.710 0.000 1.048 228 I CB 2.217 39.531 38.000 -1.144 0.000 1.239 228 I HN 0.562 nan 8.210 nan 0.000 0.421 229 S N 4.170 119.648 115.700 -0.369 0.000 2.549 229 S HA 0.783 5.253 4.470 0.000 0.000 0.280 229 S C -1.592 172.946 174.600 -0.103 0.000 1.109 229 S CA -0.434 57.609 58.200 -0.260 0.000 0.905 229 S CB 1.449 64.536 63.200 -0.188 0.000 1.081 229 S HN 0.484 nan 8.310 nan 0.000 0.477 230 Y N -0.186 120.031 120.300 -0.139 0.000 2.562 230 Y HA 0.828 5.378 4.550 0.000 0.000 0.345 230 Y C -0.871 175.003 175.900 -0.044 0.000 1.045 230 Y CA -0.841 57.237 58.100 -0.038 0.000 1.028 230 Y CB 1.408 39.914 38.460 0.077 0.000 1.297 230 Y HN 0.436 nan 8.280 nan 0.000 0.463 231 T N 2.884 117.551 114.554 0.189 0.000 2.928 231 T HA 0.537 4.887 4.350 0.000 0.000 0.296 231 T C -1.451 173.333 174.700 0.140 0.000 1.000 231 T CA -0.653 61.469 62.100 0.038 0.000 0.989 231 T CB 1.527 70.359 68.868 -0.061 0.000 1.005 231 T HN 0.625 nan 8.240 nan 0.000 0.442 232 V N 4.066 124.036 119.914 0.093 0.000 2.398 232 V HA 0.488 4.608 4.120 0.000 0.000 0.286 232 V C -1.147 174.980 176.094 0.056 0.000 1.026 232 V CA -0.767 61.630 62.300 0.161 0.000 0.868 232 V CB 0.908 32.827 31.823 0.160 0.000 0.982 232 V HN 0.818 nan 8.190 nan 0.000 0.443 233 Y N 2.979 123.461 120.300 0.303 0.000 2.352 233 Y HA 0.499 5.049 4.550 -0.000 0.000 0.339 233 Y C 0.297 176.395 175.900 0.329 0.000 0.992 233 Y CA -0.330 57.946 58.100 0.292 0.000 1.100 233 Y CB 1.730 40.359 38.460 0.282 0.000 1.192 233 Y HN 0.565 nan 8.280 nan 0.000 0.458 234 Q N 2.166 122.233 119.800 0.445 0.000 2.271 234 Q HA 0.442 4.782 4.340 0.000 0.000 0.258 234 Q C -0.886 175.282 176.000 0.279 0.000 0.936 234 Q CA -0.573 55.410 55.803 0.298 0.000 0.909 234 Q CB 1.325 30.266 28.738 0.339 0.000 1.253 234 Q HN 0.653 nan 8.270 nan 0.000 0.440 235 S N 4.392 120.160 115.700 0.114 0.000 2.433 235 S HA 0.620 5.090 4.470 0.000 0.000 0.310 235 S C -1.369 173.313 174.600 0.136 0.000 1.097 235 S CA -0.378 57.914 58.200 0.153 0.000 1.103 235 S CB 0.224 63.621 63.200 0.328 0.000 0.992 235 S HN 0.572 nan 8.310 nan 0.000 0.469 236 Y N 2.088 122.388 120.300 -0.000 0.000 2.689 236 Y HA 0.726 5.276 4.550 -0.000 0.000 0.333 236 Y C -1.810 174.088 175.900 -0.004 0.000 1.190 236 Y CA -1.584 56.502 58.100 -0.023 0.000 1.063 236 Y CB 0.884 39.330 38.460 -0.023 0.000 1.294 236 Y HN 0.414 nan 8.280 nan 0.000 0.466 237 L N 2.408 123.710 121.223 0.132 0.000 2.313 237 L HA 0.477 4.817 4.340 0.000 0.000 0.283 237 L C -0.852 176.114 176.870 0.160 0.000 1.013 237 L CA -0.568 54.295 54.840 0.038 0.000 0.816 237 L CB 1.433 43.497 42.059 0.008 0.000 1.236 237 L HN 0.689 nan 8.230 nan 0.000 0.419 238 D N 1.811 122.285 120.400 0.122 0.000 2.449 238 D HA 0.236 4.876 4.640 0.000 0.000 0.250 238 D C -0.339 176.023 176.300 0.103 0.000 1.050 238 D CA -0.017 54.090 54.000 0.178 0.000 1.024 238 D CB 1.427 42.369 40.800 0.237 0.000 1.218 238 D HN 0.362 nan 8.370 nan 0.000 0.566 239 Q N 0.161 120.014 119.800 0.089 0.000 2.463 239 Q HA -0.172 4.168 4.340 0.000 0.000 0.299 239 Q C -0.481 175.536 176.000 0.028 0.000 1.353 239 Q CA 0.363 56.208 55.803 0.069 0.000 0.828 239 Q CB -1.842 26.945 28.738 0.083 0.000 1.157 239 Q HN 0.470 nan 8.270 nan 0.000 0.436 240 L N 2.009 123.201 121.223 -0.052 0.000 2.490 240 L HA 0.118 4.458 4.340 0.000 0.000 0.274 240 L C -1.053 175.792 176.870 -0.043 0.000 1.201 240 L CA -1.091 53.657 54.840 -0.153 0.000 0.869 240 L CB -0.206 41.554 42.059 -0.498 0.000 1.123 240 L HN 0.010 nan 8.230 nan 0.000 0.484 241 P HA 0.138 nan 4.420 nan 0.000 0.271 241 P C -0.822 176.573 177.300 0.158 0.000 1.216 241 P CA -0.177 62.964 63.100 0.069 0.000 0.771 241 P CB 1.383 33.108 31.700 0.041 0.000 0.864 242 V N 2.440 122.459 119.914 0.174 0.000 2.667 242 V HA 0.760 4.880 4.120 0.000 0.000 0.308 242 V C 0.902 177.057 176.094 0.101 0.000 1.048 242 V CA -0.152 62.263 62.300 0.192 0.000 0.928 242 V CB 1.708 33.627 31.823 0.160 0.000 1.004 242 V HN 0.903 nan 8.190 nan 0.000 0.444 243 G N 1.164 110.012 108.800 0.080 0.000 3.247 243 G HA2 0.557 4.517 3.960 0.000 0.000 0.226 243 G HA3 0.557 4.517 3.960 0.000 0.000 0.226 243 G C 0.544 175.461 174.900 0.029 0.000 1.220 243 G CA 0.572 45.701 45.100 0.049 0.000 0.875 243 G HN 0.745 nan 8.290 nan 0.000 0.606 244 Q N -1.445 118.368 119.800 0.022 0.000 1.921 244 Q HA -0.169 4.171 4.340 0.000 0.000 0.208 244 Q C 2.559 178.563 176.000 0.006 0.000 0.994 244 Q CA 2.965 58.776 55.803 0.012 0.000 0.857 244 Q CB -1.988 26.757 28.738 0.011 0.000 0.925 244 Q HN 1.339 nan 8.270 nan 0.000 0.421 245 N N -0.089 118.616 118.700 0.010 0.000 2.519 245 N HA 0.372 5.112 4.740 0.000 0.000 0.186 245 N C 1.465 176.971 175.510 -0.007 0.000 1.062 245 N CA 1.778 54.830 53.050 0.003 0.000 0.910 245 N CB -0.138 38.356 38.487 0.012 0.000 0.958 245 N HN 1.582 nan 8.380 nan 0.000 0.445 246 G N -1.873 106.928 108.800 0.001 0.000 2.250 246 G HA2 0.019 3.979 3.960 0.000 0.000 0.196 246 G HA3 0.019 3.979 3.960 0.000 0.000 0.196 246 G C -0.805 174.141 174.900 0.077 0.000 1.308 246 G CA -0.416 44.667 45.100 -0.029 0.000 1.207 246 G HN 0.454 nan 8.290 nan 0.000 0.505 247 Y N 0.914 121.225 120.300 0.018 0.000 2.805 247 Y HA 0.223 4.773 4.550 0.000 0.000 0.331 247 Y C 1.341 177.252 175.900 0.018 0.000 1.241 247 Y CA -0.087 58.026 58.100 0.021 0.000 1.546 247 Y CB 0.198 38.673 38.460 0.024 0.000 1.248 247 Y HN 0.239 nan 8.280 nan 0.000 0.559 248 I N 6.729 127.410 120.570 0.184 0.000 2.308 248 I HA 0.123 4.293 4.170 0.000 0.000 0.293 248 I C -0.477 175.675 176.117 0.057 0.000 1.078 248 I CA 0.265 61.620 61.300 0.092 0.000 1.292 248 I CB 0.054 38.091 38.000 0.063 0.000 1.423 248 I HN 0.365 nan 8.210 nan 0.000 0.493 249 L N 8.626 129.882 121.223 0.054 0.000 2.401 249 L HA 0.509 4.849 4.340 0.000 0.000 0.266 249 L C -2.420 174.461 176.870 0.017 0.000 0.991 249 L CA -1.878 52.979 54.840 0.028 0.000 0.818 249 L CB 2.524 44.611 42.059 0.045 0.000 1.321 249 L HN 0.344 nan 8.230 nan 0.000 0.413 250 P HA 0.165 nan 4.420 nan 0.000 0.273 250 P C 0.650 177.946 177.300 -0.007 0.000 1.428 250 P CA -0.231 62.864 63.100 -0.009 0.000 0.995 250 P CB 0.650 32.338 31.700 -0.020 0.000 1.286 251 L N 2.681 123.904 121.223 -0.001 0.000 2.131 251 L HA -0.156 4.184 4.340 0.000 0.000 0.210 251 L C 2.372 179.235 176.870 -0.012 0.000 1.092 251 L CA 1.310 56.152 54.840 0.003 0.000 0.759 251 L CB -0.522 41.542 42.059 0.009 0.000 0.903 251 L HN 0.278 nan 8.230 nan 0.000 0.435 252 I N -0.424 120.127 120.570 -0.031 0.000 2.233 252 I HA -0.232 3.938 4.170 0.000 0.000 0.243 252 I C 2.109 178.181 176.117 -0.076 0.000 1.093 252 I CA 1.011 62.278 61.300 -0.055 0.000 1.380 252 I CB -0.420 37.537 38.000 -0.072 0.000 1.067 252 I HN 0.200 nan 8.210 nan 0.000 0.413 253 D N 1.335 121.689 120.400 -0.077 0.000 2.106 253 D HA -0.175 4.465 4.640 0.000 0.000 0.191 253 D C 2.195 178.470 176.300 -0.041 0.000 0.997 253 D CA 1.472 55.420 54.000 -0.087 0.000 0.834 253 D CB -0.394 40.370 40.800 -0.060 0.000 0.956 253 D HN 0.277 nan 8.370 nan 0.000 0.448 254 L N 0.406 121.624 121.223 -0.009 0.000 2.465 254 L HA -0.016 4.324 4.340 0.000 0.000 0.224 254 L C 1.709 178.602 176.870 0.038 0.000 1.145 254 L CA 0.742 55.598 54.840 0.028 0.000 0.834 254 L CB -0.241 41.838 42.059 0.033 0.000 0.944 254 L HN 0.034 nan 8.230 nan 0.000 0.451 255 S N -3.022 112.684 115.700 0.010 0.000 2.568 255 S HA 0.152 4.622 4.470 0.000 0.000 0.232 255 S C 0.564 175.160 174.600 -0.006 0.000 0.975 255 S CA -0.537 57.672 58.200 0.014 0.000 0.949 255 S CB 0.083 63.287 63.200 0.008 0.000 0.829 255 S HN 0.111 nan 8.310 nan 0.000 0.479 256 T N 2.747 117.286 114.554 -0.026 0.000 2.855 256 T HA 0.603 4.953 4.350 0.000 0.000 0.281 256 T C -0.607 174.088 174.700 -0.009 0.000 1.007 256 T CA -0.615 61.452 62.100 -0.055 0.000 1.009 256 T CB 1.405 70.169 68.868 -0.174 0.000 0.983 256 T HN 0.240 nan 8.240 nan 0.000 0.455 257 L N 2.943 124.161 121.223 -0.009 0.000 2.295 257 L HA 0.506 4.846 4.340 0.000 0.000 0.285 257 L C -1.029 175.930 176.870 0.147 0.000 1.035 257 L CA -1.131 53.686 54.840 -0.039 0.000 0.806 257 L CB 0.877 42.794 42.059 -0.238 0.000 1.214 257 L HN 0.628 nan 8.230 nan 0.000 0.426 258 Y N 4.064 124.418 120.300 0.090 0.000 2.388 258 Y HA 0.488 5.038 4.550 0.000 0.000 0.328 258 Y C -0.931 174.923 175.900 -0.076 0.000 0.963 258 Y CA -1.139 57.062 58.100 0.168 0.000 1.240 258 Y CB 0.651 39.343 38.460 0.386 0.000 1.118 258 Y HN 0.531 nan 8.280 nan 0.000 0.484 259 N N 5.854 124.108 118.700 -0.744 0.000 2.312 259 N HA 0.573 5.313 4.740 0.000 0.000 0.296 259 N C -1.522 173.472 175.510 -0.861 0.000 1.193 259 N CA -0.660 51.893 53.050 -0.828 0.000 0.773 259 N CB 2.369 40.362 38.487 -0.823 0.000 1.435 259 N HN 0.567 nan 8.380 nan 0.000 0.484 260 L N 0.489 121.417 121.223 -0.492 0.000 2.346 260 L HA 0.585 4.925 4.340 0.000 0.000 0.276 260 L C 0.015 176.881 176.870 -0.008 0.000 1.006 260 L CA -0.546 54.181 54.840 -0.189 0.000 0.817 260 L CB 1.716 43.651 42.059 -0.207 0.000 1.272 260 L HN 0.380 nan 8.230 nan 0.000 0.421 261 E N 2.078 122.411 120.200 0.221 0.000 2.390 261 E HA 0.343 4.693 4.350 0.000 0.000 0.277 261 E C -1.508 175.192 176.600 0.166 0.000 0.939 261 E CA -0.819 55.712 56.400 0.218 0.000 0.769 261 E CB 3.091 33.003 29.700 0.354 0.000 1.251 261 E HN 0.670 nan 8.360 nan 0.000 0.450 262 N N -0.007 118.725 118.700 0.055 0.000 2.453 262 N HA 0.567 5.307 4.740 0.000 0.000 0.290 262 N C -1.084 174.463 175.510 0.063 0.000 1.250 262 N CA -0.609 52.402 53.050 -0.066 0.000 0.815 262 N CB 1.852 40.202 38.487 -0.230 0.000 1.381 262 N HN 0.472 nan 8.380 nan 0.000 0.510 263 S N -1.992 113.745 115.700 0.062 0.000 2.615 263 S HA 0.864 5.334 4.470 0.000 0.000 0.269 263 S C -1.656 173.010 174.600 0.110 0.000 1.161 263 S CA -0.898 57.370 58.200 0.114 0.000 0.817 263 S CB 1.097 64.406 63.200 0.181 0.000 1.131 263 S HN 1.092 nan 8.310 nan 0.000 0.467 264 A N 0.860 123.753 122.820 0.121 0.000 2.414 264 A HA 0.840 5.160 4.320 0.000 0.000 0.306 264 A C -1.163 176.508 177.584 0.144 0.000 1.054 264 A CA -0.684 51.436 52.037 0.138 0.000 0.724 264 A CB 1.610 20.691 19.000 0.136 0.000 1.267 264 A HN 0.689 nan 8.150 nan 0.000 0.418 265 Q N 0.096 120.006 119.800 0.183 0.000 2.372 265 Q HA 0.725 5.065 4.340 0.000 0.000 0.273 265 Q C -0.700 175.469 176.000 0.281 0.000 1.078 265 Q CA -0.599 55.359 55.803 0.259 0.000 0.806 265 Q CB 2.517 31.455 28.738 0.333 0.000 1.332 265 Q HN 1.085 nan 8.270 nan 0.000 0.435 266 A N -0.432 122.560 122.820 0.286 0.000 2.486 266 A HA 0.908 5.228 4.320 0.000 0.000 0.289 266 A C 0.208 177.908 177.584 0.194 0.000 1.176 266 A CA -0.138 51.968 52.037 0.115 0.000 0.757 266 A CB 1.612 20.650 19.000 0.064 0.000 1.337 266 A HN 1.005 nan 8.150 nan 0.000 0.423 267 G N -0.914 107.885 108.800 -0.002 0.000 2.155 267 G HA2 0.014 3.974 3.960 0.000 0.000 0.135 267 G HA3 0.014 3.974 3.960 0.000 0.000 0.135 267 G C -0.401 174.482 174.900 -0.029 0.000 1.023 267 G CA -0.079 45.078 45.100 0.096 0.000 0.688 267 G HN 0.780 nan 8.290 nan 0.000 0.499 268 L N 1.373 122.354 121.223 -0.403 0.000 2.397 268 L HA 0.685 5.025 4.340 0.000 0.000 0.271 268 L C 0.587 177.359 176.870 -0.163 0.000 1.148 268 L CA 0.292 54.858 54.840 -0.456 0.000 0.825 268 L CB 1.448 43.112 42.059 -0.658 0.000 1.117 268 L HN 0.162 nan 8.230 nan 0.000 0.456 269 T N 2.398 116.893 114.554 -0.099 0.000 2.916 269 T HA 0.373 4.723 4.350 0.000 0.000 0.298 269 T C -2.636 172.029 174.700 -0.057 0.000 1.031 269 T CA -1.389 60.681 62.100 -0.051 0.000 0.993 269 T CB 1.922 70.781 68.868 -0.014 0.000 1.045 269 T HN 0.214 nan 8.240 nan 0.000 0.454 270 P HA 0.055 nan 4.420 nan 0.000 0.261 270 P C 0.363 177.635 177.300 -0.047 0.000 1.173 270 P CA 0.436 63.510 63.100 -0.044 0.000 0.760 270 P CB 0.147 31.831 31.700 -0.026 0.000 0.783 271 N N -0.911 117.748 118.700 -0.069 0.000 2.753 271 N HA -0.144 4.596 4.740 0.000 0.000 0.251 271 N C -0.607 174.869 175.510 -0.058 0.000 1.097 271 N CA 0.756 53.766 53.050 -0.066 0.000 0.786 271 N CB -1.650 36.820 38.487 -0.027 0.000 1.137 271 N HN 0.186 nan 8.380 nan 0.000 0.566 272 V N 0.922 120.797 119.914 -0.065 0.000 2.555 272 V HA 0.233 4.353 4.120 0.000 0.000 0.302 272 V C 0.092 176.157 176.094 -0.048 0.000 1.038 272 V CA -0.847 61.433 62.300 -0.033 0.000 0.887 272 V CB 2.160 33.981 31.823 -0.003 0.000 0.991 272 V HN -0.054 nan 8.190 nan 0.000 0.434 273 D N 3.313 123.696 120.400 -0.029 0.000 2.434 273 D HA 0.127 4.767 4.640 0.000 0.000 0.252 273 D C -0.572 175.743 176.300 0.026 0.000 1.185 273 D CA 0.496 54.475 54.000 -0.035 0.000 0.886 273 D CB 0.418 41.220 40.800 0.004 0.000 1.148 273 D HN 0.342 nan 8.370 nan 0.000 0.483 274 F N 3.598 123.454 119.950 -0.157 0.000 2.385 274 F HA 0.327 4.854 4.527 0.000 0.000 0.360 274 F C -0.724 175.018 175.800 -0.096 0.000 1.122 274 F CA -0.804 57.120 58.000 -0.125 0.000 1.090 274 F CB 0.812 39.710 39.000 -0.171 0.000 1.150 274 F HN -0.000 nan 8.300 nan 0.000 0.472 275 V N 6.968 126.611 119.914 -0.451 0.000 2.384 275 V HA 0.395 4.515 4.120 0.000 0.000 0.287 275 V C -0.572 175.269 176.094 -0.422 0.000 1.020 275 V CA -0.892 61.216 62.300 -0.319 0.000 0.850 275 V CB 1.421 33.134 31.823 -0.183 0.000 0.987 275 V HN 0.493 nan 8.190 nan 0.000 0.436 276 V N 5.468 125.231 119.914 -0.251 0.000 2.328 276 V HA 0.317 4.437 4.120 0.000 0.000 0.278 276 V C 0.227 176.185 176.094 -0.227 0.000 1.021 276 V CA -0.591 61.574 62.300 -0.226 0.000 0.838 276 V CB 1.085 32.840 31.823 -0.112 0.000 0.999 276 V HN 0.925 nan 8.190 nan 0.000 0.447 277 Q N 3.219 122.896 119.800 -0.205 0.000 2.352 277 Q HA 0.345 4.685 4.340 0.000 0.000 0.260 277 Q C -1.144 174.608 176.000 -0.413 0.000 0.976 277 Q CA -0.022 55.648 55.803 -0.222 0.000 0.881 277 Q CB 0.980 29.645 28.738 -0.123 0.000 1.235 277 Q HN 0.655 nan 8.270 nan 0.000 0.419 278 Y N 0.203 120.248 120.300 -0.425 0.000 2.320 278 Y HA 0.404 4.954 4.550 0.000 0.000 0.324 278 Y C 0.479 175.936 175.900 -0.739 0.000 1.190 278 Y CA -0.568 57.149 58.100 -0.639 0.000 1.215 278 Y CB 1.082 39.129 38.460 -0.689 0.000 1.221 278 Y HN 0.669 nan 8.280 nan 0.000 0.486 279 A N 2.408 124.956 122.820 -0.454 0.000 2.272 279 A HA 0.400 4.720 4.320 0.000 0.000 0.275 279 A C -0.258 177.122 177.584 -0.340 0.000 1.096 279 A CA -0.730 50.872 52.037 -0.726 0.000 0.822 279 A CB 0.058 18.820 19.000 -0.397 0.000 1.088 279 A HN 0.876 nan 8.150 nan 0.000 0.495 280 N N -1.421 117.112 118.700 -0.279 0.000 2.447 280 N HA 0.479 5.219 4.740 0.000 0.000 0.271 280 N C 0.203 175.607 175.510 -0.176 0.000 1.226 280 N CA -0.021 52.915 53.050 -0.190 0.000 0.980 280 N CB 1.037 39.444 38.487 -0.133 0.000 1.206 280 N HN 1.418 nan 8.380 nan 0.000 0.558 281 L N -3.359 117.810 121.223 -0.090 0.000 3.121 281 L HA -0.220 4.120 4.340 0.000 0.000 0.404 281 L C -1.049 176.101 176.870 0.467 0.000 0.695 281 L CA 1.596 56.541 54.840 0.175 0.000 3.096 281 L CB -1.767 40.337 42.059 0.074 0.000 0.683 281 L HN 0.745 nan 8.230 nan 0.000 0.743 282 Y N 1.911 122.223 120.300 0.021 0.000 2.309 282 Y HA 0.481 5.031 4.550 -0.000 0.000 0.327 282 Y C 0.803 176.709 175.900 0.010 0.000 1.172 282 Y CA -0.921 57.054 58.100 -0.209 0.000 1.280 282 Y CB 0.502 38.363 38.460 -0.999 0.000 1.234 282 Y HN 0.069 nan 8.280 nan 0.000 0.512 283 R N 3.864 124.461 120.500 0.161 0.000 2.280 283 R HA 0.201 4.541 4.340 0.000 0.000 0.326 283 R C -1.694 174.668 176.300 0.104 0.000 1.080 283 R CA -0.642 55.550 56.100 0.155 0.000 1.002 283 R CB 0.269 30.596 30.300 0.045 0.000 1.136 283 R HN 0.578 nan 8.270 nan 0.000 0.509 284 Y N 2.954 123.358 120.300 0.173 0.000 2.531 284 Y HA 0.033 4.583 4.550 -0.000 0.000 0.347 284 Y C 1.563 177.522 175.900 0.099 0.000 1.024 284 Y CA -0.188 58.027 58.100 0.193 0.000 1.306 284 Y CB 0.607 39.191 38.460 0.207 0.000 1.149 284 Y HN 0.440 nan 8.280 nan 0.000 0.527 285 L N 1.912 123.254 121.223 0.198 0.000 2.162 285 L HA 0.027 4.367 4.340 0.000 0.000 0.205 285 L C 0.769 177.749 176.870 0.183 0.000 1.086 285 L CA 0.629 55.528 54.840 0.098 0.000 0.778 285 L CB -0.129 41.910 42.059 -0.034 0.000 0.928 285 L HN 0.624 nan 8.230 nan 0.000 0.446 286 S N -1.969 113.900 115.700 0.283 0.000 2.570 286 S HA 0.601 5.071 4.470 0.000 0.000 0.270 286 S C -0.615 174.172 174.600 0.311 0.000 1.149 286 S CA -0.685 57.653 58.200 0.230 0.000 0.837 286 S CB 2.380 65.768 63.200 0.313 0.000 1.124 286 S HN -0.071 nan 8.310 nan 0.000 0.465 287 T N 1.977 116.625 114.554 0.157 0.000 2.886 287 T HA 0.613 4.963 4.350 0.000 0.000 0.292 287 T C -0.936 173.734 174.700 -0.050 0.000 1.012 287 T CA -0.422 61.718 62.100 0.067 0.000 0.982 287 T CB 0.887 69.833 68.868 0.130 0.000 1.018 287 T HN 0.660 nan 8.240 nan 0.000 0.451 288 I N 2.270 122.742 120.570 -0.165 0.000 2.465 288 I HA 0.709 4.879 4.170 0.000 0.000 0.291 288 I C -0.381 175.593 176.117 -0.238 0.000 1.014 288 I CA -0.980 60.279 61.300 -0.070 0.000 1.093 288 I CB 1.752 39.815 38.000 0.105 0.000 1.267 288 I HN 0.727 nan 8.210 nan 0.000 0.431 289 A N 6.371 129.113 122.820 -0.130 0.000 2.335 289 A HA 0.745 5.065 4.320 0.000 0.000 0.304 289 A C -1.098 176.591 177.584 0.174 0.000 1.118 289 A CA -0.472 51.505 52.037 -0.099 0.000 0.757 289 A CB 1.376 20.207 19.000 -0.283 0.000 1.188 289 A HN 0.394 nan 8.150 nan 0.000 0.460 290 V N 3.308 123.352 119.914 0.217 0.000 2.370 290 V HA 0.317 4.437 4.120 0.000 0.000 0.283 290 V C -0.659 175.651 176.094 0.361 0.000 1.023 290 V CA -0.389 62.085 62.300 0.291 0.000 0.857 290 V CB 1.209 33.171 31.823 0.232 0.000 0.985 290 V HN 0.778 nan 8.190 nan 0.000 0.443 291 F N 5.320 125.387 119.950 0.196 0.000 2.406 291 F HA 0.368 4.895 4.527 0.000 0.000 0.358 291 F C 0.439 176.142 175.800 -0.161 0.000 1.161 291 F CA -1.852 56.175 58.000 0.046 0.000 1.185 291 F CB 0.178 39.224 39.000 0.076 0.000 1.421 291 F HN 0.607 nan 8.300 nan 0.000 0.576 292 D N 4.135 124.534 120.400 -0.001 0.000 2.435 292 D HA -0.026 4.614 4.640 0.000 0.000 0.230 292 D C -0.069 175.906 176.300 -0.542 0.000 1.215 292 D CA 0.088 53.772 54.000 -0.527 0.000 0.947 292 D CB -0.314 40.425 40.800 -0.101 0.000 1.048 292 D HN 0.256 nan 8.370 nan 0.000 0.512 293 N N 2.862 120.988 118.700 -0.957 0.000 3.178 293 N HA 0.198 4.938 4.740 0.000 0.000 0.300 293 N C 0.741 175.956 175.510 -0.492 0.000 1.242 293 N CA 0.454 52.995 53.050 -0.848 0.000 1.192 293 N CB -0.462 37.330 38.487 -1.159 0.000 1.463 293 N HN 0.617 nan 8.380 nan 0.000 0.539 294 G N 0.790 109.397 108.800 -0.321 0.000 2.295 294 G HA2 -0.209 3.751 3.960 0.000 0.000 0.287 294 G HA3 -0.209 3.751 3.960 0.000 0.000 0.287 294 G C 0.965 175.740 174.900 -0.208 0.000 1.055 294 G CA 0.512 45.490 45.100 -0.203 0.000 0.922 294 G HN 1.085 nan 8.290 nan 0.000 0.503 295 G N -2.338 106.295 108.800 -0.278 0.000 2.195 295 G HA2 -0.053 3.907 3.960 0.000 0.000 0.246 295 G HA3 -0.053 3.907 3.960 0.000 0.000 0.246 295 G C 0.460 175.238 174.900 -0.203 0.000 0.984 295 G CA 0.681 45.687 45.100 -0.157 0.000 0.633 295 G HN 1.750 nan 8.290 nan 0.000 0.525 296 S N 0.116 115.564 115.700 -0.420 0.000 2.489 296 S HA 0.769 5.239 4.470 0.000 0.000 0.291 296 S C -0.822 173.387 174.600 -0.653 0.000 1.151 296 S CA -0.335 57.666 58.200 -0.331 0.000 1.082 296 S CB 0.929 63.969 63.200 -0.267 0.000 1.019 296 S HN 0.306 nan 8.310 nan 0.000 0.492 297 F N 2.917 122.765 119.950 -0.170 0.000 2.445 297 F HA 0.441 4.968 4.527 -0.000 0.000 0.348 297 F C 0.467 176.207 175.800 -0.100 0.000 1.125 297 F CA -0.853 57.056 58.000 -0.153 0.000 0.983 297 F CB 1.175 40.087 39.000 -0.147 0.000 1.198 297 F HN 0.390 nan 8.300 nan 0.000 0.436 298 N N 1.422 120.122 118.700 -0.001 0.000 2.430 298 N HA 0.513 5.253 4.740 0.000 0.000 0.298 298 N C -0.487 175.091 175.510 0.114 0.000 1.130 298 N CA -0.707 52.364 53.050 0.034 0.000 0.894 298 N CB 2.197 40.670 38.487 -0.025 0.000 1.209 298 N HN 0.563 nan 8.380 nan 0.000 0.503 299 A N 0.523 123.406 122.820 0.105 0.000 3.037 299 A HA 0.468 4.788 4.320 0.000 0.000 0.272 299 A C 1.330 179.024 177.584 0.183 0.000 1.723 299 A CA 0.281 52.398 52.037 0.134 0.000 1.413 299 A CB -1.396 17.662 19.000 0.096 0.000 1.112 299 A HN 0.906 nan 8.150 nan 0.000 0.606 300 G N 1.116 110.088 108.800 0.288 0.000 2.257 300 G HA2 -0.418 3.542 3.960 0.000 0.000 0.267 300 G HA3 -0.418 3.542 3.960 0.000 0.000 0.267 300 G C 1.278 176.265 174.900 0.145 0.000 0.984 300 G CA 1.606 46.867 45.100 0.269 0.000 0.626 300 G HN 1.496 nan 8.290 nan 0.000 0.540 301 T N -0.743 113.877 114.554 0.110 0.000 3.007 301 T HA 0.059 4.409 4.350 0.000 0.000 0.270 301 T C 1.508 176.239 174.700 0.051 0.000 1.107 301 T CA 1.797 63.937 62.100 0.067 0.000 1.118 301 T CB -0.196 68.699 68.868 0.046 0.000 0.889 301 T HN 0.605 nan 8.240 nan 0.000 0.506 302 D N 0.412 120.854 120.400 0.070 0.000 2.368 302 D HA 0.227 4.867 4.640 0.000 0.000 0.218 302 D C 0.217 176.601 176.300 0.139 0.000 1.112 302 D CA -0.468 53.581 54.000 0.081 0.000 0.834 302 D CB -0.274 40.535 40.800 0.016 0.000 0.953 302 D HN 0.471 nan 8.370 nan 0.000 0.505 303 I N 0.428 121.036 120.570 0.064 0.000 2.545 303 I HA 0.222 4.392 4.170 0.000 0.000 0.292 303 I C 0.644 176.711 176.117 -0.083 0.000 1.040 303 I CA -0.881 60.384 61.300 -0.058 0.000 1.068 303 I CB 2.124 40.024 38.000 -0.165 0.000 1.251 303 I HN -0.271 nan 8.210 nan 0.000 0.424 304 N N 3.689 122.292 118.700 -0.162 0.000 2.197 304 N HA 0.013 4.753 4.740 0.000 0.000 0.184 304 N C -0.592 174.921 175.510 0.006 0.000 1.030 304 N CA 1.370 54.368 53.050 -0.087 0.000 0.851 304 N CB 0.287 38.679 38.487 -0.157 0.000 1.003 304 N HN 0.632 nan 8.380 nan 0.000 0.430 305 Y N -1.936 118.282 120.300 -0.137 0.000 2.713 305 Y HA 0.630 5.180 4.550 0.000 0.000 0.335 305 Y C -1.783 173.934 175.900 -0.304 0.000 1.222 305 Y CA -1.429 56.572 58.100 -0.165 0.000 1.061 305 Y CB 0.474 38.880 38.460 -0.091 0.000 1.314 305 Y HN -0.277 nan 8.280 nan 0.000 0.453 306 L N 1.692 122.830 121.223 -0.141 0.000 2.333 306 L HA 0.929 5.269 4.340 0.000 0.000 0.263 306 L C -0.095 176.634 176.870 -0.236 0.000 1.014 306 L CA -0.543 53.969 54.840 -0.547 0.000 0.820 306 L CB 2.204 43.428 42.059 -1.393 0.000 1.352 306 L HN 0.902 nan 8.230 nan 0.000 0.421 307 S N -0.173 115.303 115.700 -0.373 0.000 2.636 307 S HA 0.575 5.045 4.470 0.000 0.000 0.266 307 S C -2.101 172.391 174.600 -0.180 0.000 1.147 307 S CA -0.630 57.548 58.200 -0.037 0.000 0.815 307 S CB 1.537 64.750 63.200 0.021 0.000 1.119 307 S HN 0.577 nan 8.310 nan 0.000 0.470 308 Q N 1.130 120.938 119.800 0.013 0.000 2.321 308 Q HA 0.541 4.881 4.340 0.000 0.000 0.270 308 Q C -1.015 175.005 176.000 0.034 0.000 1.032 308 Q CA -0.596 55.239 55.803 0.053 0.000 0.784 308 Q CB 2.352 31.174 28.738 0.140 0.000 1.264 308 Q HN 0.558 nan 8.270 nan 0.000 0.448 309 R N 1.021 121.542 120.500 0.036 0.000 2.686 309 R HA 0.548 4.888 4.340 0.000 0.000 0.283 309 R C -1.188 175.121 176.300 0.015 0.000 0.978 309 R CA -0.339 55.770 56.100 0.014 0.000 0.897 309 R CB 1.736 32.037 30.300 0.001 0.000 1.192 309 R HN 0.699 nan 8.270 nan 0.000 0.457 310 T N 0.761 115.315 114.554 0.000 0.000 2.794 310 T HA 0.594 4.944 4.350 0.000 0.000 0.280 310 T C 0.244 174.939 174.700 -0.009 0.000 0.987 310 T CA -0.752 61.343 62.100 -0.007 0.000 0.993 310 T CB 1.671 70.531 68.868 -0.014 0.000 0.939 310 T HN 0.695 nan 8.240 nan 0.000 0.449 311 A N 2.511 125.324 122.820 -0.010 0.000 2.566 311 A HA 0.455 4.775 4.320 0.000 0.000 0.245 311 A C 1.463 179.040 177.584 -0.011 0.000 1.056 311 A CA 0.566 52.597 52.037 -0.010 0.000 0.757 311 A CB -1.950 17.044 19.000 -0.010 0.000 0.979 311 A HN 2.487 nan 8.150 nan 0.000 0.508 312 N N -1.034 117.660 118.700 -0.010 0.000 2.756 312 N HA 0.236 4.976 4.740 0.000 0.000 0.248 312 N C 0.326 175.829 175.510 -0.010 0.000 1.062 312 N CA 2.087 55.131 53.050 -0.010 0.000 0.696 312 N CB -2.244 36.237 38.487 -0.009 0.000 0.946 312 N HN 2.497 nan 8.380 nan 0.000 0.548 313 F N -1.942 118.001 119.950 -0.011 0.000 3.281 313 F HA 0.754 5.281 4.527 0.000 0.000 0.339 313 F C 1.331 177.122 175.800 -0.014 0.000 1.275 313 F CA 1.313 59.306 58.000 -0.012 0.000 0.843 313 F CB -0.830 38.163 39.000 -0.011 0.000 1.717 313 F HN 1.986 nan 8.300 nan 0.000 0.480 314 S N 0.177 115.868 115.700 -0.015 0.000 3.160 314 S HA -0.201 4.269 4.470 0.000 0.000 0.634 314 S C -0.364 174.226 174.600 -0.018 0.000 2.861 314 S CA 1.519 59.707 58.200 -0.019 0.000 3.097 314 S CB -1.139 62.045 63.200 -0.025 0.000 0.331 314 S HN 1.120 nan 8.310 nan 0.000 1.767 315 D N 0.777 121.161 120.400 -0.026 0.000 2.302 315 D HA 0.461 5.101 4.640 0.000 0.000 0.248 315 D C 1.216 177.506 176.300 -0.016 0.000 1.094 315 D CA 0.406 54.393 54.000 -0.021 0.000 0.897 315 D CB 1.049 41.825 40.800 -0.040 0.000 1.200 315 D HN 0.639 nan 8.370 nan 0.000 0.429 316 T N -1.217 113.336 114.554 -0.003 0.000 3.044 316 T HA 0.045 4.395 4.350 0.000 0.000 0.250 316 T C 0.691 175.390 174.700 -0.001 0.000 1.081 316 T CA -0.364 61.733 62.100 -0.005 0.000 1.040 316 T CB -0.058 68.808 68.868 -0.004 0.000 0.962 316 T HN 0.596 nan 8.240 nan 0.000 0.506 317 R N 0.282 120.794 120.500 0.020 0.000 2.747 317 R HA 0.304 4.644 4.340 0.000 0.000 0.200 317 R C -0.950 175.420 176.300 0.117 0.000 1.438 317 R CA -0.652 55.472 56.100 0.040 0.000 1.334 317 R CB -0.335 29.965 30.300 -0.000 0.000 1.523 317 R HN 0.084 nan 8.270 nan 0.000 0.741 318 K N 3.015 123.439 120.400 0.039 0.000 2.310 318 K HA 0.324 4.644 4.320 0.000 0.000 0.290 318 K C -0.967 175.653 176.600 0.034 0.000 1.077 318 K CA -0.178 56.107 56.287 -0.004 0.000 0.922 318 K CB 0.521 32.907 32.500 -0.190 0.000 1.057 318 K HN 0.453 nan 8.250 nan 0.000 0.479 319 L N 3.323 124.654 121.223 0.180 0.000 2.388 319 L HA 0.340 4.680 4.340 0.000 0.000 0.264 319 L C -0.423 176.579 176.870 0.221 0.000 0.998 319 L CA -1.369 53.597 54.840 0.209 0.000 0.817 319 L CB 2.048 44.305 42.059 0.329 0.000 1.338 319 L HN 0.745 nan 8.230 nan 0.000 0.414 320 D N 0.521 121.023 120.400 0.171 0.000 2.368 320 D HA 0.135 4.775 4.640 0.000 0.000 0.240 320 D C -2.111 174.302 176.300 0.188 0.000 1.169 320 D CA -1.150 52.944 54.000 0.157 0.000 0.906 320 D CB 0.621 41.493 40.800 0.120 0.000 1.187 320 D HN 0.194 nan 8.370 nan 0.000 0.435 321 P HA -0.201 nan 4.420 nan 0.000 0.216 321 P C 1.004 178.475 177.300 0.286 0.000 1.153 321 P CA 1.536 64.740 63.100 0.173 0.000 0.858 321 P CB 0.109 31.880 31.700 0.118 0.000 0.789 322 K N -1.199 119.330 120.400 0.214 0.000 2.097 322 K HA -0.054 4.266 4.320 0.000 0.000 0.205 322 K C 1.955 178.679 176.600 0.208 0.000 1.050 322 K CA 1.606 58.013 56.287 0.200 0.000 0.938 322 K CB -0.705 31.878 32.500 0.138 0.000 0.718 322 K HN 0.157 nan 8.250 nan 0.000 0.442 323 T N 0.519 115.193 114.554 0.199 0.000 2.904 323 T HA -0.149 4.201 4.350 0.000 0.000 0.267 323 T C 1.179 176.012 174.700 0.222 0.000 1.059 323 T CA 0.646 62.849 62.100 0.171 0.000 1.137 323 T CB -0.133 68.816 68.868 0.135 0.000 0.879 323 T HN 0.429 nan 8.240 nan 0.000 0.467 324 W N 2.154 123.524 121.300 0.117 0.000 2.381 324 W HA -0.064 4.596 4.660 -0.000 0.000 0.301 324 W C 2.447 179.084 176.519 0.197 0.000 1.205 324 W CA 1.222 58.657 57.345 0.150 0.000 1.285 324 W CB -0.566 28.991 29.460 0.161 0.000 1.133 324 W HN 0.289 nan 8.180 nan 0.000 0.521 325 A N 0.882 123.996 122.820 0.490 0.000 1.972 325 A HA -0.059 4.261 4.320 0.000 0.000 0.219 325 A C 2.178 179.882 177.584 0.201 0.000 1.169 325 A CA 2.470 54.729 52.037 0.369 0.000 0.635 325 A CB -1.195 17.997 19.000 0.319 0.000 0.810 325 A HN 0.288 nan 8.150 nan 0.000 0.446 326 A N -0.736 122.175 122.820 0.153 0.000 1.902 326 A HA -0.195 4.125 4.320 0.000 0.000 0.217 326 A C 2.095 179.710 177.584 0.053 0.000 1.181 326 A CA 1.693 53.782 52.037 0.088 0.000 0.623 326 A CB -0.462 18.582 19.000 0.073 0.000 0.818 326 A HN 0.510 nan 8.150 nan 0.000 0.443 327 Q N -0.443 119.365 119.800 0.014 0.000 2.124 327 Q HA -0.128 4.212 4.340 0.000 0.000 0.202 327 Q C 2.115 178.132 176.000 0.027 0.000 0.977 327 Q CA 2.011 57.793 55.803 -0.036 0.000 0.850 327 Q CB -1.325 27.306 28.738 -0.179 0.000 0.901 327 Q HN 0.637 nan 8.270 nan 0.000 0.429 328 T N 1.245 115.853 114.554 0.090 0.000 2.821 328 T HA -0.073 4.277 4.350 0.000 0.000 0.267 328 T C 1.818 176.581 174.700 0.105 0.000 1.046 328 T CA 0.819 63.046 62.100 0.210 0.000 1.139 328 T CB -0.062 69.026 68.868 0.368 0.000 0.871 328 T HN 0.268 nan 8.240 nan 0.000 0.454 329 R N 0.727 121.269 120.500 0.069 0.000 2.159 329 R HA 0.015 4.355 4.340 0.000 0.000 0.237 329 R C 2.444 178.747 176.300 0.006 0.000 1.131 329 R CA 0.796 56.907 56.100 0.018 0.000 0.982 329 R CB -0.084 30.231 30.300 0.026 0.000 0.868 329 R HN 0.242 nan 8.270 nan 0.000 0.453 330 R N 0.150 120.665 120.500 0.024 0.000 2.235 330 R HA 0.016 4.356 4.340 0.000 0.000 0.213 330 R C 1.848 178.162 176.300 0.023 0.000 1.059 330 R CA 0.693 56.804 56.100 0.017 0.000 0.997 330 R CB 0.033 30.344 30.300 0.019 0.000 0.884 330 R HN 0.169 nan 8.270 nan 0.000 0.462 331 R N 0.450 120.977 120.500 0.045 0.000 2.146 331 R HA 0.152 4.492 4.340 0.000 0.000 0.206 331 R C 2.028 178.312 176.300 -0.027 0.000 1.049 331 R CA 0.771 56.905 56.100 0.056 0.000 1.029 331 R CB 0.031 30.444 30.300 0.188 0.000 0.949 331 R HN 0.313 nan 8.270 nan 0.000 0.471 332 I N -3.934 116.579 120.570 -0.095 0.000 4.050 332 I HA 0.479 4.649 4.170 0.000 0.000 0.327 332 I C 0.483 176.505 176.117 -0.158 0.000 1.473 332 I CA 0.096 61.285 61.300 -0.185 0.000 1.124 332 I CB 0.891 38.648 38.000 -0.406 0.000 1.129 332 I HN -0.036 nan 8.210 nan 0.000 0.428 333 A N 0.249 123.010 122.820 -0.098 0.000 2.861 333 A HA -0.216 4.104 4.320 0.000 0.000 0.261 333 A C 0.644 178.178 177.584 -0.083 0.000 1.351 333 A CA 1.686 53.678 52.037 -0.075 0.000 0.904 333 A CB -2.304 16.654 19.000 -0.070 0.000 1.076 333 A HN 0.814 nan 8.150 nan 0.000 0.729 334 T N -1.867 112.618 114.554 -0.114 0.000 2.654 334 T HA 0.494 4.844 4.350 0.000 0.000 0.303 334 T C -2.142 172.478 174.700 -0.132 0.000 1.656 334 T CA 0.133 62.170 62.100 -0.106 0.000 0.971 334 T CB 0.929 69.725 68.868 -0.119 0.000 1.811 334 T HN 0.283 nan 8.240 nan 0.000 0.483 335 D N 0.612 120.953 120.400 -0.097 0.000 2.181 335 D HA 0.517 5.157 4.640 0.000 0.000 0.248 335 D C -0.252 175.965 176.300 -0.140 0.000 1.020 335 D CA -0.112 53.853 54.000 -0.058 0.000 0.891 335 D CB 0.812 41.626 40.800 0.023 0.000 1.187 335 D HN 0.330 nan 8.370 nan 0.000 0.443 336 F N 0.640 120.523 119.950 -0.113 0.000 2.399 336 F HA 0.219 4.746 4.527 -0.000 0.000 0.313 336 F C -1.330 174.362 175.800 -0.180 0.000 1.202 336 F CA -1.254 56.602 58.000 -0.241 0.000 1.192 336 F CB 0.032 38.785 39.000 -0.412 0.000 1.256 336 F HN 0.079 nan 8.300 nan 0.000 0.558 337 P HA -0.004 nan 4.420 nan 0.000 0.270 337 P C -1.196 176.129 177.300 0.042 0.000 1.227 337 P CA -0.270 62.887 63.100 0.094 0.000 0.788 337 P CB 0.327 32.177 31.700 0.251 0.000 0.926 338 K N 1.097 121.532 120.400 0.058 0.000 2.530 338 K HA 0.143 4.463 4.320 0.000 0.000 0.280 338 K C 1.282 177.939 176.600 0.095 0.000 1.004 338 K CA 1.235 57.557 56.287 0.059 0.000 1.071 338 K CB -0.731 31.824 32.500 0.093 0.000 0.876 338 K HN 0.857 nan 8.250 nan 0.000 0.487 339 G N 1.177 109.982 108.800 0.009 0.000 2.179 339 G HA2 -0.252 3.708 3.960 0.000 0.000 0.260 339 G HA3 -0.252 3.708 3.960 0.000 0.000 0.260 339 G C 0.018 174.863 174.900 -0.092 0.000 0.977 339 G CA 0.040 45.209 45.100 0.115 0.000 0.641 339 G HN 0.428 nan 8.290 nan 0.000 0.533 340 V N 1.037 120.729 119.914 -0.370 0.000 2.370 340 V HA 0.644 4.764 4.120 0.000 0.000 0.279 340 V C -0.300 175.422 176.094 -0.620 0.000 1.029 340 V CA -0.765 61.321 62.300 -0.356 0.000 0.870 340 V CB 0.819 32.411 31.823 -0.384 0.000 0.984 340 V HN 0.252 nan 8.190 nan 0.000 0.451 341 Y N 4.265 124.609 120.300 0.073 0.000 2.376 341 Y HA 0.603 5.153 4.550 0.000 0.000 0.340 341 Y C -0.486 175.599 175.900 0.308 0.000 0.965 341 Y CA -0.773 57.472 58.100 0.243 0.000 1.078 341 Y CB 1.744 40.290 38.460 0.143 0.000 1.193 341 Y HN 0.639 nan 8.280 nan 0.000 0.452 342 Y N 2.444 123.033 120.300 0.483 0.000 2.468 342 Y HA 0.681 5.231 4.550 0.000 0.000 0.342 342 Y C -1.126 175.058 175.900 0.474 0.000 1.021 342 Y CA -1.798 56.488 58.100 0.309 0.000 1.079 342 Y CB 1.698 40.256 38.460 0.163 0.000 1.226 342 Y HN 0.798 nan 8.280 nan 0.000 0.460 343 C N 6.548 125.564 119.300 -0.474 0.000 2.505 343 C HA 0.366 4.826 4.460 0.000 0.000 0.342 343 C C -1.388 173.190 174.990 -0.687 0.000 1.121 343 C CA -0.701 58.096 59.018 -0.368 0.000 1.306 343 C CB -0.022 27.891 27.740 0.288 0.000 1.897 343 C HN 0.887 nan 8.230 nan 0.000 0.446 344 D N 3.977 124.061 120.400 -0.527 0.000 2.274 344 D HA 0.322 4.962 4.640 0.000 0.000 0.239 344 D C 0.036 176.294 176.300 -0.071 0.000 1.104 344 D CA 0.239 54.106 54.000 -0.221 0.000 0.840 344 D CB 0.789 41.598 40.800 0.016 0.000 1.100 344 D HN 0.709 nan 8.370 nan 0.000 0.477 345 N N 3.443 122.143 118.700 -0.000 0.000 2.451 345 N HA 0.101 4.841 4.740 0.000 0.000 0.271 345 N C 1.085 176.617 175.510 0.037 0.000 1.410 345 N CA -0.160 52.902 53.050 0.019 0.000 0.884 345 N CB 0.710 39.216 38.487 0.032 0.000 1.332 345 N HN 0.358 nan 8.380 nan 0.000 0.498 346 R N 0.476 121.008 120.500 0.053 0.000 2.081 346 R HA -0.043 4.297 4.340 0.000 0.000 0.235 346 R C 0.772 177.085 176.300 0.021 0.000 1.131 346 R CA 1.144 57.273 56.100 0.048 0.000 0.960 346 R CB 0.101 30.466 30.300 0.108 0.000 0.856 346 R HN 0.117 nan 8.270 nan 0.000 0.436 347 D N 0.385 120.801 120.400 0.027 0.000 2.224 347 D HA -0.040 4.600 4.640 0.000 0.000 0.205 347 D C 0.182 176.488 176.300 0.010 0.000 0.965 347 D CA 1.251 55.261 54.000 0.017 0.000 0.852 347 D CB 0.242 41.053 40.800 0.018 0.000 0.947 347 D HN 0.115 nan 8.370 nan 0.000 0.494 348 K N 0.825 121.233 120.400 0.012 0.000 2.752 348 K HA 0.287 4.607 4.320 0.000 0.000 0.199 348 K C -2.754 173.859 176.600 0.022 0.000 1.069 348 K CA -1.427 54.869 56.287 0.015 0.000 1.033 348 K CB 2.477 34.984 32.500 0.011 0.000 1.229 348 K HN -0.127 nan 8.250 nan 0.000 0.572 349 P HA -0.028 nan 4.420 nan 0.000 0.266 349 P C -0.094 177.257 177.300 0.085 0.000 1.195 349 P CA -0.194 62.941 63.100 0.058 0.000 0.768 349 P CB 0.460 32.190 31.700 0.049 0.000 0.838 350 I N 3.750 124.360 120.570 0.067 0.000 2.587 350 I HA -0.019 4.151 4.170 0.000 0.000 0.284 350 I C -0.046 176.197 176.117 0.209 0.000 1.134 350 I CA 0.416 61.703 61.300 -0.021 0.000 1.410 350 I CB -1.163 36.578 38.000 -0.432 0.000 1.392 350 I HN 0.419 nan 8.210 nan 0.000 0.545 351 Y N 6.239 126.543 120.300 0.006 0.000 2.317 351 Y HA 0.158 4.708 4.550 -0.000 0.000 0.329 351 Y C 1.096 177.001 175.900 0.009 0.000 1.101 351 Y CA -0.872 57.257 58.100 0.048 0.000 1.228 351 Y CB 1.344 39.834 38.460 0.050 0.000 1.123 351 Y HN 0.725 nan 8.280 nan 0.000 0.457 352 T N 1.362 115.786 114.554 -0.216 0.000 2.770 352 T HA 0.064 4.414 4.350 0.000 0.000 0.263 352 T C 1.944 176.456 174.700 -0.313 0.000 1.039 352 T CA 2.367 64.332 62.100 -0.225 0.000 1.142 352 T CB -0.623 68.141 68.868 -0.174 0.000 0.868 352 T HN 1.590 nan 8.240 nan 0.000 0.435 353 L N -2.135 118.800 121.223 -0.479 0.000 3.211 353 L HA 0.126 4.466 4.340 0.000 0.000 0.417 353 L C 0.847 177.608 176.870 -0.181 0.000 0.707 353 L CA 2.507 57.121 54.840 -0.377 0.000 2.938 353 L CB -2.630 39.265 42.059 -0.274 0.000 0.825 353 L HN 1.424 nan 8.230 nan 0.000 0.704 354 Q N -1.848 117.869 119.800 -0.138 0.000 2.310 354 Q HA 0.671 5.011 4.340 0.000 0.000 0.270 354 Q C -0.493 175.486 176.000 -0.034 0.000 1.025 354 Q CA -0.279 55.491 55.803 -0.055 0.000 0.772 354 Q CB 0.849 29.564 28.738 -0.039 0.000 1.253 354 Q HN 1.701 nan 8.270 nan 0.000 0.450 355 Y N 1.557 121.803 120.300 -0.090 0.000 2.852 355 Y HA 0.238 4.788 4.550 -0.000 0.000 0.343 355 Y C 1.609 177.473 175.900 -0.060 0.000 1.280 355 Y CA 2.277 60.328 58.100 -0.081 0.000 1.604 355 Y CB 0.139 38.546 38.460 -0.087 0.000 1.216 355 Y HN 1.374 nan 8.280 nan 0.000 0.541 356 G N 2.065 110.678 108.800 -0.311 0.000 2.157 356 G HA2 -0.429 3.531 3.960 0.000 0.000 0.248 356 G HA3 -0.429 3.531 3.960 0.000 0.000 0.248 356 G C 0.801 175.666 174.900 -0.058 0.000 0.979 356 G CA 0.690 45.708 45.100 -0.137 0.000 0.650 356 G HN 1.080 nan 8.290 nan 0.000 0.529 357 N N -1.053 117.607 118.700 -0.067 0.000 2.364 357 N HA 0.320 5.060 4.740 0.000 0.000 0.183 357 N C 0.986 176.477 175.510 -0.033 0.000 1.022 357 N CA 2.024 55.047 53.050 -0.045 0.000 0.883 357 N CB 0.152 38.603 38.487 -0.060 0.000 0.965 357 N HN 1.059 nan 8.380 nan 0.000 0.438 358 V N -1.052 118.845 119.914 -0.028 0.000 2.789 358 V HA 0.822 4.942 4.120 0.000 0.000 0.311 358 V C 0.373 176.570 176.094 0.172 0.000 1.073 358 V CA -0.655 61.662 62.300 0.029 0.000 0.921 358 V CB 1.506 33.294 31.823 -0.057 0.000 1.009 358 V HN 0.526 nan 8.190 nan 0.000 0.426 359 G N 1.604 110.517 108.800 0.188 0.000 2.619 359 G HA2 0.674 4.634 3.960 0.000 0.000 0.296 359 G HA3 0.674 4.634 3.960 0.000 0.000 0.296 359 G C -1.942 173.104 174.900 0.242 0.000 1.334 359 G CA -0.637 44.562 45.100 0.166 0.000 0.934 359 G HN 0.488 nan 8.290 nan 0.000 0.476 360 F N 1.831 121.777 119.950 -0.007 0.000 2.410 360 F HA 0.637 5.164 4.527 -0.000 0.000 0.349 360 F C -0.222 175.552 175.800 -0.044 0.000 1.117 360 F CA -0.515 57.509 58.000 0.040 0.000 1.104 360 F CB 1.655 40.617 39.000 -0.062 0.000 1.122 360 F HN 0.272 nan 8.300 nan 0.000 0.483 361 V N 6.546 126.150 119.914 -0.516 0.000 2.513 361 V HA 0.587 4.707 4.120 0.000 0.000 0.299 361 V C -0.811 175.031 176.094 -0.420 0.000 1.035 361 V CA -0.871 61.241 62.300 -0.314 0.000 0.889 361 V CB 1.609 33.336 31.823 -0.160 0.000 0.988 361 V HN 0.562 nan 8.190 nan 0.000 0.440 362 V N 3.939 123.716 119.914 -0.228 0.000 2.482 362 V HA 0.437 4.557 4.120 0.000 0.000 0.295 362 V C -0.380 175.499 176.094 -0.359 0.000 1.026 362 V CA -0.632 61.467 62.300 -0.334 0.000 0.856 362 V CB 1.936 33.590 31.823 -0.282 0.000 1.001 362 V HN 0.896 nan 8.190 nan 0.000 0.424 363 N N 7.086 125.428 118.700 -0.596 0.000 2.546 363 N HA 0.371 5.111 4.740 0.000 0.000 0.238 363 N C -2.729 172.488 175.510 -0.490 0.000 0.984 363 N CA -1.616 51.067 53.050 -0.611 0.000 0.935 363 N CB 2.500 40.306 38.487 -1.134 0.000 1.122 363 N HN 0.333 nan 8.380 nan 0.000 0.510 364 P HA 0.144 nan 4.420 nan 0.000 0.279 364 P C 0.198 177.426 177.300 -0.120 0.000 1.239 364 P CA -0.198 62.764 63.100 -0.230 0.000 0.789 364 P CB 2.089 33.647 31.700 -0.237 0.000 0.933 365 K N 1.622 121.996 120.400 -0.043 0.000 2.128 365 K HA 0.045 4.365 4.320 0.000 0.000 0.202 365 K C 0.516 177.115 176.600 -0.002 0.000 1.050 365 K CA 1.035 57.308 56.287 -0.025 0.000 0.966 365 K CB 0.159 32.656 32.500 -0.006 0.000 0.759 365 K HN 0.646 nan 8.250 nan 0.000 0.454 366 T N -1.427 113.146 114.554 0.032 0.000 2.886 366 T HA 0.517 4.867 4.350 0.000 0.000 0.292 366 T C -0.860 173.870 174.700 0.051 0.000 1.012 366 T CA -0.927 61.182 62.100 0.016 0.000 0.982 366 T CB 2.023 70.883 68.868 -0.013 0.000 1.018 366 T HN -0.181 nan 8.240 nan 0.000 0.451 367 V N 4.144 124.069 119.914 0.019 0.000 2.443 367 V HA 0.468 4.588 4.120 0.000 0.000 0.293 367 V C -0.324 175.750 176.094 -0.034 0.000 1.021 367 V CA -1.029 61.289 62.300 0.030 0.000 0.848 367 V CB 1.319 33.150 31.823 0.013 0.000 0.998 367 V HN 0.900 nan 8.190 nan 0.000 0.424 368 N N 2.554 121.206 118.700 -0.080 0.000 2.413 368 N HA 0.306 5.046 4.740 0.000 0.000 0.266 368 N C -0.024 175.443 175.510 -0.073 0.000 1.238 368 N CA -0.655 52.340 53.050 -0.092 0.000 0.972 368 N CB 0.519 38.920 38.487 -0.143 0.000 1.210 368 N HN 0.541 nan 8.380 nan 0.000 0.547 369 Q N 1.222 120.984 119.800 -0.064 0.000 2.337 369 Q HA 0.067 4.407 4.340 0.000 0.000 0.270 369 Q C -0.097 175.871 176.000 -0.054 0.000 1.002 369 Q CA 0.366 56.140 55.803 -0.048 0.000 0.888 369 Q CB 0.095 28.811 28.738 -0.037 0.000 1.222 369 Q HN 0.470 nan 8.270 nan 0.000 0.400 370 N N -1.122 117.555 118.700 -0.038 0.000 2.776 370 N HA -0.178 4.562 4.740 0.000 0.000 0.249 370 N C -0.730 174.753 175.510 -0.044 0.000 1.111 370 N CA 0.990 54.021 53.050 -0.032 0.000 0.711 370 N CB -1.287 37.184 38.487 -0.027 0.000 1.065 370 N HN 0.675 nan 8.380 nan 0.000 0.556 371 A N 0.775 123.567 122.820 -0.046 0.000 2.351 371 A HA 0.702 5.022 4.320 0.000 0.000 0.257 371 A C 0.869 178.449 177.584 -0.007 0.000 1.087 371 A CA 0.175 52.199 52.037 -0.021 0.000 0.798 371 A CB 0.676 19.702 19.000 0.044 0.000 1.033 371 A HN 0.479 nan 8.150 nan 0.000 0.488 372 R N 0.552 121.082 120.500 0.051 0.000 2.709 372 R HA 0.577 4.917 4.340 0.000 0.000 0.270 372 R C -2.142 174.221 176.300 0.104 0.000 1.038 372 R CA -0.927 55.187 56.100 0.023 0.000 0.872 372 R CB 0.787 31.122 30.300 0.058 0.000 1.259 372 R HN 0.452 nan 8.270 nan 0.000 0.473 373 L N 2.518 123.790 121.223 0.081 0.000 2.296 373 L HA 0.486 4.826 4.340 0.000 0.000 0.286 373 L C -0.680 176.292 176.870 0.170 0.000 1.023 373 L CA -1.047 53.874 54.840 0.135 0.000 0.812 373 L CB 1.650 43.791 42.059 0.137 0.000 1.223 373 L HN 0.448 nan 8.230 nan 0.000 0.421 374 L N 4.767 126.117 121.223 0.212 0.000 2.262 374 L HA 0.422 4.762 4.340 0.000 0.000 0.288 374 L C -0.102 176.872 176.870 0.173 0.000 1.035 374 L CA -0.285 54.713 54.840 0.263 0.000 0.820 374 L CB 1.133 43.468 42.059 0.461 0.000 1.204 374 L HN 0.487 nan 8.230 nan 0.000 0.424 375 M N 2.407 122.008 119.600 0.002 0.000 2.367 375 M HA 0.550 5.030 4.480 0.000 0.000 0.339 375 M C 0.376 176.386 176.300 -0.484 0.000 1.177 375 M CA -0.383 54.736 55.300 -0.302 0.000 1.068 375 M CB 1.452 33.828 32.600 -0.373 0.000 1.602 375 M HN 0.564 nan 8.290 nan 0.000 0.457 376 G N 2.447 110.770 108.800 -0.795 0.000 2.687 376 G HA2 0.695 4.655 3.960 0.000 0.000 0.301 376 G HA3 0.695 4.655 3.960 0.000 0.000 0.301 376 G C -2.034 172.397 174.900 -0.782 0.000 1.416 376 G CA -0.285 44.135 45.100 -1.134 0.000 1.005 376 G HN 0.581 nan 8.290 nan 0.000 0.509 377 Y N 0.196 120.498 120.300 0.003 0.000 2.499 377 Y HA 0.569 5.119 4.550 0.000 0.000 0.347 377 Y C 0.287 176.421 175.900 0.389 0.000 0.987 377 Y CA -0.909 57.399 58.100 0.347 0.000 1.044 377 Y CB 2.736 41.523 38.460 0.545 0.000 1.245 377 Y HN 0.420 nan 8.280 nan 0.000 0.461 378 E N 2.364 122.873 120.200 0.514 0.000 2.176 378 E HA 0.418 4.768 4.350 0.000 0.000 0.267 378 E C -1.725 175.018 176.600 0.239 0.000 0.893 378 E CA -0.758 55.785 56.400 0.238 0.000 0.761 378 E CB 1.690 31.564 29.700 0.289 0.000 1.133 378 E HN 0.560 nan 8.360 nan 0.000 0.409 379 Y N 0.853 121.138 120.300 -0.025 0.000 2.670 379 Y HA 0.587 5.137 4.550 -0.000 0.000 0.334 379 Y C -1.704 174.131 175.900 -0.109 0.000 1.185 379 Y CA -1.445 56.547 58.100 -0.180 0.000 1.053 379 Y CB 1.017 39.219 38.460 -0.430 0.000 1.298 379 Y HN 0.306 nan 8.280 nan 0.000 0.459 380 F N 0.651 120.699 119.950 0.163 0.000 2.522 380 F HA 0.716 5.243 4.527 0.000 0.000 0.324 380 F C 0.119 175.971 175.800 0.086 0.000 1.077 380 F CA -0.944 57.101 58.000 0.074 0.000 0.944 380 F CB 2.562 41.557 39.000 -0.008 0.000 1.175 380 F HN 0.722 nan 8.300 nan 0.000 0.468 381 T N 1.123 115.822 114.554 0.242 0.000 2.957 381 T HA 0.277 4.627 4.350 0.000 0.000 0.336 381 T C -1.062 173.688 174.700 0.083 0.000 1.462 381 T CA -0.779 61.411 62.100 0.150 0.000 1.073 381 T CB 1.211 70.126 68.868 0.077 0.000 1.319 381 T HN 0.695 nan 8.240 nan 0.000 0.485 382 S N 3.256 119.004 115.700 0.080 0.000 2.580 382 S HA 0.356 4.826 4.470 0.000 0.000 0.274 382 S C 1.258 175.885 174.600 0.044 0.000 1.329 382 S CA -0.570 57.654 58.200 0.041 0.000 1.036 382 S CB 0.946 64.172 63.200 0.043 0.000 0.919 382 S HN 0.805 nan 8.310 nan 0.000 0.515 383 R N 1.625 122.138 120.500 0.022 0.000 2.193 383 R HA 0.043 4.383 4.340 0.000 0.000 0.229 383 R C 1.640 177.963 176.300 0.039 0.000 1.110 383 R CA 1.041 57.154 56.100 0.021 0.000 0.988 383 R CB -1.760 28.552 30.300 0.021 0.000 0.871 383 R HN 1.083 nan 8.270 nan 0.000 0.458 384 T N -0.556 114.023 114.554 0.043 0.000 0.543 384 T HA -0.186 4.164 4.350 0.000 0.000 0.774 384 T C 0.284 175.008 174.700 0.039 0.000 0.992 384 T CA 1.752 63.879 62.100 0.046 0.000 4.076 384 T CB -0.835 68.068 68.868 0.060 0.000 2.302 384 T HN 0.573 nan 8.240 nan 0.000 0.398 385 E N 0.000 120.223 120.200 0.038 0.000 2.725 385 E HA 0.000 4.350 4.350 0.000 0.000 0.291 385 E CA 0.000 nan 56.400 nan 0.000 0.976 385 E CB 0.000 nan 29.700 nan 0.000 0.812 385 E HN 0.000 nan 8.360 nan 0.000 0.440