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 1m8p_1_C DATA FIRST_RESID 1 DATA SEQUENCE MANAPHGGVL KDLLARDAPR QAELAAEAES LPAVTLTERQ LCDLELIMNG DATA SEQUENCE GFSPLEGFMN QADYDRVCED NRLADGNVFS MPITLDASQE VIDEKKLQAA DATA SEQUENCE SRITLRDFRD DRNLAILTID DIYRPDKTKE AKLVFGGDPE HPAIVYLNNT DATA SEQUENCE VKEFYIGGKI EAVNKLNHYD YVALRYTPAE LRVHFDKLGW SRVVAFQTRN DATA SEQUENCE PMHRAHRELT VRAARSRQAN VLIHPVVGLT KPGDIDHFTR VRAYQALLPR DATA SEQUENCE YPNGMAVLGL LGLAMRMGGP REAIWHAIIR KNHGATHFIV GRDHAGPGSN DATA SEQUENCE SKGEDFYGPY DAQHAVEKYK DELGIEVVEF QMVTYLPDTD EYRPVDQVPA DATA SEQUENCE GVKTLNISGT ELRRRLRSGA HIPEWFSYPE VVKILRESNP PRATQGFTIF DATA SEQUENCE LTGYMNSGKD AIARALQVTL NQQGGRSVSL LLGDTVRHEL SSELGFTRED DATA SEQUENCE RHTNIQRIAF VATELTRAGA AVIAAPIAPY EESRKFARDA VSQAGSFFLV DATA SEQUENCE HVATPLEHCE QSDKRGIYAA ARRGEIKGFT GVDDPYETPE KADLVVDFSK DATA SEQUENCE QSVRSIVHEI ILVLESQGFL ERQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.338 176.300 0.064 0.000 1.140 1 M CA 0.000 55.335 55.300 0.058 0.000 0.988 1 M CB 0.000 32.628 32.600 0.047 0.000 1.302 2 A N 1.556 124.424 122.820 0.079 0.000 2.478 2 A HA 0.371 4.691 4.320 0.000 0.000 0.210 2 A C 0.222 177.829 177.584 0.038 0.000 1.728 2 A CA 0.645 52.717 52.037 0.057 0.000 0.622 2 A CB -0.406 18.639 19.000 0.076 0.000 1.231 2 A HN 0.824 nan 8.150 nan 0.000 0.497 3 N N -1.042 117.683 118.700 0.041 0.000 2.321 3 N HA 0.528 5.268 4.740 0.000 0.000 0.299 3 N C -0.598 174.941 175.510 0.047 0.000 1.048 3 N CA -0.308 52.763 53.050 0.035 0.000 0.836 3 N CB 1.541 40.043 38.487 0.024 0.000 1.269 3 N HN 0.614 nan 8.380 nan 0.000 0.486 4 A N 3.565 126.412 122.820 0.044 0.000 2.498 4 A HA 0.284 4.605 4.320 0.000 0.000 0.239 4 A C -2.191 175.431 177.584 0.064 0.000 1.068 4 A CA -0.751 51.314 52.037 0.047 0.000 0.766 4 A CB -0.169 18.854 19.000 0.039 0.000 1.003 4 A HN 0.528 nan 8.150 nan 0.000 0.497 5 P HA 0.010 nan 4.420 nan 0.000 0.270 5 P C -0.393 176.988 177.300 0.134 0.000 1.221 5 P CA 0.346 63.499 63.100 0.089 0.000 0.788 5 P CB 0.255 31.995 31.700 0.067 0.000 0.904 6 H N 0.427 119.529 119.070 0.053 0.000 2.800 6 H HA 0.412 4.968 4.556 0.000 0.000 0.291 6 H C 1.344 176.717 175.328 0.076 0.000 1.076 6 H CA 1.431 57.518 56.048 0.066 0.000 1.452 6 H CB -0.645 29.168 29.762 0.085 0.000 1.461 6 H HN 0.650 nan 8.280 nan 0.000 0.488 7 G N 2.674 111.352 108.800 -0.205 0.000 2.195 7 G HA2 -0.177 3.783 3.960 0.000 0.000 0.224 7 G HA3 -0.177 3.783 3.960 0.000 0.000 0.224 7 G C 1.175 176.044 174.900 -0.051 0.000 0.990 7 G CA 0.469 45.476 45.100 -0.155 0.000 0.639 7 G HN 1.718 nan 8.290 nan 0.000 0.514 8 G N -2.238 106.554 108.800 -0.014 0.000 2.225 8 G HA2 0.012 3.973 3.960 0.000 0.000 0.254 8 G HA3 0.012 3.973 3.960 0.000 0.000 0.254 8 G C 0.331 175.242 174.900 0.018 0.000 0.988 8 G CA 0.831 45.935 45.100 0.007 0.000 0.625 8 G HN 1.765 nan 8.290 nan 0.000 0.527 9 V N 1.255 121.183 119.914 0.023 0.000 2.525 9 V HA 0.610 4.731 4.120 0.000 0.000 0.299 9 V C 0.080 176.194 176.094 0.034 0.000 1.034 9 V CA -0.806 61.508 62.300 0.024 0.000 0.863 9 V CB 1.755 33.587 31.823 0.016 0.000 0.999 9 V HN 0.503 nan 8.190 nan 0.000 0.423 10 L N 6.187 127.427 121.223 0.028 0.000 2.500 10 L HA 0.306 4.646 4.340 0.000 0.000 0.272 10 L C 0.743 177.624 176.870 0.018 0.000 1.149 10 L CA 0.416 55.270 54.840 0.023 0.000 0.897 10 L CB 0.205 42.267 42.059 0.005 0.000 1.178 10 L HN 0.441 nan 8.230 nan 0.000 0.473 11 K N 3.702 124.120 120.400 0.030 0.000 2.737 11 K HA 0.081 4.401 4.320 0.000 0.000 0.251 11 K C -0.244 176.359 176.600 0.005 0.000 1.280 11 K CA 0.031 56.333 56.287 0.024 0.000 1.219 11 K CB -0.704 31.822 32.500 0.044 0.000 1.587 11 K HN 0.511 nan 8.250 nan 0.000 0.279 12 D N 2.452 122.849 120.400 -0.006 0.000 2.551 12 D HA 0.022 4.662 4.640 0.000 0.000 0.223 12 D C 1.104 177.396 176.300 -0.013 0.000 1.144 12 D CA -0.086 53.903 54.000 -0.018 0.000 1.025 12 D CB 0.132 40.918 40.800 -0.023 0.000 1.085 12 D HN 0.241 nan 8.370 nan 0.000 0.506 13 L N 1.728 122.945 121.223 -0.011 0.000 2.127 13 L HA -0.199 4.141 4.340 0.000 0.000 0.211 13 L C 2.349 179.214 176.870 -0.009 0.000 1.089 13 L CA 0.704 55.540 54.840 -0.007 0.000 0.757 13 L CB -0.310 41.746 42.059 -0.005 0.000 0.899 13 L HN 0.369 nan 8.230 nan 0.000 0.434 14 L N -0.201 121.013 121.223 -0.016 0.000 2.056 14 L HA -0.168 4.172 4.340 0.000 0.000 0.207 14 L C 2.918 179.779 176.870 -0.015 0.000 1.078 14 L CA 1.146 55.976 54.840 -0.017 0.000 0.749 14 L CB -0.575 41.470 42.059 -0.024 0.000 0.901 14 L HN 0.240 nan 8.230 nan 0.000 0.433 15 A N 0.034 122.844 122.820 -0.016 0.000 1.845 15 A HA -0.254 4.066 4.320 0.000 0.000 0.215 15 A C 2.391 179.969 177.584 -0.009 0.000 1.195 15 A CA 1.788 53.817 52.037 -0.013 0.000 0.616 15 A CB -0.674 18.318 19.000 -0.013 0.000 0.832 15 A HN 0.341 nan 8.150 nan 0.000 0.443 16 R N -0.270 120.226 120.500 -0.007 0.000 2.112 16 R HA -0.227 4.114 4.340 0.000 0.000 0.242 16 R C 0.880 177.179 176.300 -0.003 0.000 1.137 16 R CA 2.274 58.372 56.100 -0.004 0.000 0.944 16 R CB -0.486 29.813 30.300 -0.001 0.000 0.857 16 R HN 0.452 nan 8.270 nan 0.000 0.435 17 D N -0.128 120.270 120.400 -0.003 0.000 2.349 17 D HA 0.047 4.687 4.640 0.000 0.000 0.224 17 D C 1.472 177.770 176.300 -0.003 0.000 1.029 17 D CA 0.761 54.761 54.000 -0.001 0.000 0.879 17 D CB 0.155 40.956 40.800 0.001 0.000 0.906 17 D HN 0.399 nan 8.370 nan 0.000 0.528 18 A N 2.003 124.819 122.820 -0.006 0.000 1.873 18 A HA -0.165 4.155 4.320 0.000 0.000 0.218 18 A C -0.072 177.509 177.584 -0.005 0.000 1.193 18 A CA 1.355 53.388 52.037 -0.007 0.000 0.629 18 A CB -1.590 17.404 19.000 -0.009 0.000 0.826 18 A HN 0.169 nan 8.150 nan 0.000 0.447 19 P HA -0.197 nan 4.420 nan 0.000 0.218 19 P C 0.993 178.291 177.300 -0.002 0.000 1.152 19 P CA 1.663 64.761 63.100 -0.003 0.000 0.857 19 P CB -0.110 31.588 31.700 -0.002 0.000 0.787 20 R N -1.512 118.987 120.500 -0.002 0.000 2.393 20 R HA 0.108 4.448 4.340 0.000 0.000 0.244 20 R C 1.976 178.276 176.300 -0.001 0.000 0.920 20 R CA -0.245 55.855 56.100 -0.000 0.000 1.076 20 R CB -0.321 29.979 30.300 0.001 0.000 1.119 20 R HN 0.168 nan 8.270 nan 0.000 0.524 21 Q N 1.892 121.691 119.800 -0.002 0.000 2.065 21 Q HA -0.278 4.062 4.340 0.000 0.000 0.213 21 Q C 1.901 177.900 176.000 -0.002 0.000 1.012 21 Q CA 2.747 58.548 55.803 -0.003 0.000 0.876 21 Q CB -0.243 28.491 28.738 -0.006 0.000 0.954 21 Q HN 0.406 nan 8.270 nan 0.000 0.413 22 A N 0.216 123.034 122.820 -0.003 0.000 1.908 22 A HA -0.220 4.101 4.320 0.000 0.000 0.218 22 A C 1.948 179.532 177.584 -0.000 0.000 1.181 22 A CA 1.970 54.005 52.037 -0.002 0.000 0.627 22 A CB -0.520 18.479 19.000 -0.002 0.000 0.818 22 A HN 0.447 nan 8.150 nan 0.000 0.445 23 E N 0.029 120.229 120.200 0.000 0.000 2.047 23 E HA -0.098 4.253 4.350 0.000 0.000 0.191 23 E C 1.924 178.525 176.600 0.003 0.000 0.987 23 E CA 1.057 57.458 56.400 0.001 0.000 0.799 23 E CB -0.437 29.264 29.700 0.002 0.000 0.752 23 E HN 0.613 nan 8.360 nan 0.000 0.449 24 L N 0.098 121.323 121.223 0.003 0.000 2.083 24 L HA -0.178 4.162 4.340 0.000 0.000 0.209 24 L C 2.297 179.170 176.870 0.005 0.000 1.083 24 L CA 1.225 56.069 54.840 0.005 0.000 0.752 24 L CB -0.454 41.608 42.059 0.006 0.000 0.899 24 L HN 0.136 nan 8.230 nan 0.000 0.433 25 A N -0.153 122.668 122.820 0.003 0.000 1.873 25 A HA -0.126 4.194 4.320 0.000 0.000 0.215 25 A C 2.539 180.124 177.584 0.002 0.000 1.186 25 A CA 1.604 53.642 52.037 0.002 0.000 0.616 25 A CB -0.742 18.258 19.000 -0.001 0.000 0.823 25 A HN 0.375 nan 8.150 nan 0.000 0.442 26 A N -0.301 122.520 122.820 0.002 0.000 1.877 26 A HA -0.199 4.121 4.320 0.000 0.000 0.216 26 A C 2.038 179.624 177.584 0.003 0.000 1.186 26 A CA 1.853 53.891 52.037 0.002 0.000 0.620 26 A CB -0.610 18.391 19.000 0.001 0.000 0.822 26 A HN 0.664 nan 8.150 nan 0.000 0.443 27 E N -0.137 120.065 120.200 0.004 0.000 2.110 27 E HA -0.137 4.213 4.350 0.000 0.000 0.193 27 E C 2.041 178.645 176.600 0.007 0.000 0.988 27 E CA 1.002 57.405 56.400 0.005 0.000 0.804 27 E CB -0.256 29.448 29.700 0.007 0.000 0.745 27 E HN 0.545 nan 8.360 nan 0.000 0.458 28 A N 1.208 124.033 122.820 0.007 0.000 2.019 28 A HA -0.193 4.128 4.320 0.000 0.000 0.219 28 A C 1.897 179.485 177.584 0.008 0.000 1.164 28 A CA 1.358 53.401 52.037 0.009 0.000 0.644 28 A CB -0.369 18.637 19.000 0.010 0.000 0.805 28 A HN 0.275 nan 8.150 nan 0.000 0.449 29 E N 0.226 120.429 120.200 0.005 0.000 2.106 29 E HA -0.098 4.252 4.350 0.000 0.000 0.192 29 E C 2.169 178.771 176.600 0.004 0.000 0.984 29 E CA 1.421 57.824 56.400 0.004 0.000 0.806 29 E CB -0.268 29.433 29.700 0.003 0.000 0.750 29 E HN 0.624 nan 8.360 nan 0.000 0.458 30 S N 1.049 116.752 115.700 0.004 0.000 2.388 30 S HA 0.035 4.506 4.470 0.000 0.000 0.223 30 S C 1.339 175.941 174.600 0.003 0.000 1.034 30 S CA 0.058 58.260 58.200 0.003 0.000 0.963 30 S CB -0.116 63.086 63.200 0.002 0.000 0.827 30 S HN 0.102 nan 8.310 nan 0.000 0.481 31 L N 2.238 123.464 121.223 0.005 0.000 2.489 31 L HA 0.108 4.448 4.340 0.000 0.000 0.285 31 L C -2.348 174.524 176.870 0.003 0.000 1.259 31 L CA -1.302 53.541 54.840 0.005 0.000 0.828 31 L CB -0.760 41.304 42.059 0.008 0.000 1.094 31 L HN 0.017 nan 8.230 nan 0.000 0.524 32 P HA 0.209 nan 4.420 nan 0.000 0.271 32 P C -1.110 176.192 177.300 0.002 0.000 1.218 32 P CA -0.097 63.002 63.100 -0.001 0.000 0.780 32 P CB 0.948 32.644 31.700 -0.006 0.000 0.901 33 A N 2.032 124.854 122.820 0.003 0.000 2.401 33 A HA 0.680 5.000 4.320 0.000 0.000 0.310 33 A C -1.097 176.490 177.584 0.005 0.000 1.075 33 A CA -0.602 51.439 52.037 0.008 0.000 0.746 33 A CB 1.272 20.280 19.000 0.012 0.000 1.277 33 A HN 0.332 nan 8.150 nan 0.000 0.425 34 V N 0.916 120.834 119.914 0.007 0.000 2.680 34 V HA 0.521 4.642 4.120 0.000 0.000 0.309 34 V C 0.096 176.202 176.094 0.021 0.000 1.052 34 V CA -0.390 61.911 62.300 0.002 0.000 0.908 34 V CB 2.207 34.017 31.823 -0.022 0.000 1.001 34 V HN 0.942 nan 8.190 nan 0.000 0.431 35 T N 6.214 120.787 114.554 0.032 0.000 2.743 35 T HA 0.512 4.863 4.350 0.000 0.000 0.293 35 T C 0.006 174.758 174.700 0.086 0.000 0.945 35 T CA -0.149 61.995 62.100 0.073 0.000 1.030 35 T CB 0.229 69.150 68.868 0.087 0.000 0.912 35 T HN 0.318 nan 8.240 nan 0.000 0.483 36 L N 3.161 124.462 121.223 0.130 0.000 2.466 36 L HA 0.415 4.755 4.340 0.000 0.000 0.257 36 L C 1.518 178.527 176.870 0.233 0.000 1.189 36 L CA -0.848 54.075 54.840 0.139 0.000 0.813 36 L CB 0.355 42.498 42.059 0.141 0.000 1.118 36 L HN 0.661 nan 8.230 nan 0.000 0.471 37 T N -3.292 111.357 114.554 0.158 0.000 2.862 37 T HA 0.114 4.464 4.350 0.000 0.000 0.276 37 T C 0.851 175.722 174.700 0.286 0.000 0.974 37 T CA -0.628 61.541 62.100 0.115 0.000 0.966 37 T CB 1.514 70.434 68.868 0.086 0.000 1.072 37 T HN 0.744 nan 8.240 nan 0.000 0.538 38 E N 0.084 120.448 120.200 0.273 0.000 2.118 38 E HA -0.245 4.105 4.350 0.000 0.000 0.195 38 E C 2.273 179.022 176.600 0.248 0.000 0.992 38 E CA 1.129 57.757 56.400 0.380 0.000 0.804 38 E CB -0.059 29.811 29.700 0.284 0.000 0.741 38 E HN 0.680 nan 8.360 nan 0.000 0.458 39 R N 0.162 120.781 120.500 0.197 0.000 2.062 39 R HA -0.179 4.161 4.340 0.000 0.000 0.231 39 R C 2.397 178.843 176.300 0.244 0.000 1.136 39 R CA 1.967 58.173 56.100 0.177 0.000 0.948 39 R CB -0.123 30.242 30.300 0.107 0.000 0.845 39 R HN 0.246 nan 8.270 nan 0.000 0.430 40 Q N 0.409 120.349 119.800 0.233 0.000 2.135 40 Q HA -0.177 4.163 4.340 0.000 0.000 0.204 40 Q C 2.278 178.480 176.000 0.338 0.000 0.981 40 Q CA 1.633 57.597 55.803 0.268 0.000 0.856 40 Q CB -0.154 28.632 28.738 0.081 0.000 0.902 40 Q HN 0.385 nan 8.270 nan 0.000 0.425 41 L N -0.311 121.069 121.223 0.262 0.000 2.017 41 L HA -0.246 4.094 4.340 0.000 0.000 0.208 41 L C 2.443 179.424 176.870 0.186 0.000 1.073 41 L CA 0.964 55.928 54.840 0.208 0.000 0.745 41 L CB -0.316 41.846 42.059 0.171 0.000 0.894 41 L HN 0.410 nan 8.230 nan 0.000 0.432 42 C N -0.424 118.994 119.300 0.197 0.000 2.440 42 C HA -0.137 4.323 4.460 0.000 0.000 0.278 42 C C 2.354 177.461 174.990 0.195 0.000 1.295 42 C CA 0.438 59.554 59.018 0.163 0.000 1.738 42 C CB -0.814 27.022 27.740 0.160 0.000 1.987 42 C HN 0.558 nan 8.230 nan 0.000 0.492 43 D N 0.632 121.234 120.400 0.337 0.000 2.123 43 D HA -0.082 4.558 4.640 0.000 0.000 0.200 43 D C 1.922 178.376 176.300 0.258 0.000 0.976 43 D CA 0.731 55.029 54.000 0.497 0.000 0.831 43 D CB -0.610 40.554 40.800 0.607 0.000 0.974 43 D HN 0.309 nan 8.370 nan 0.000 0.469 44 L N 1.445 122.817 121.223 0.248 0.000 2.079 44 L HA -0.163 4.178 4.340 0.000 0.000 0.210 44 L C 2.076 178.963 176.870 0.028 0.000 1.081 44 L CA 1.792 56.707 54.840 0.124 0.000 0.752 44 L CB -0.544 41.669 42.059 0.257 0.000 0.896 44 L HN -0.005 nan 8.230 nan 0.000 0.433 45 E N -0.714 119.502 120.200 0.027 0.000 2.110 45 E HA -0.215 4.136 4.350 0.000 0.000 0.193 45 E C 2.104 178.626 176.600 -0.129 0.000 0.988 45 E CA 1.390 57.774 56.400 -0.027 0.000 0.804 45 E CB -0.192 29.518 29.700 0.016 0.000 0.745 45 E HN 0.614 nan 8.360 nan 0.000 0.458 46 L N 0.420 121.467 121.223 -0.295 0.000 2.395 46 L HA -0.009 4.331 4.340 0.000 0.000 0.218 46 L C 2.200 178.804 176.870 -0.444 0.000 1.130 46 L CA 0.224 54.710 54.840 -0.591 0.000 0.826 46 L CB -0.124 41.104 42.059 -1.384 0.000 0.941 46 L HN 0.250 nan 8.230 nan 0.000 0.451 47 I N -0.552 119.912 120.570 -0.177 0.000 2.235 47 I HA -0.247 3.923 4.170 0.000 0.000 0.241 47 I C 2.511 178.608 176.117 -0.034 0.000 1.085 47 I CA 1.207 62.515 61.300 0.013 0.000 1.378 47 I CB -0.137 37.848 38.000 -0.026 0.000 1.076 47 I HN 0.165 nan 8.210 nan 0.000 0.415 48 M N 1.278 120.848 119.600 -0.049 0.000 2.202 48 M HA -0.209 4.271 4.480 0.000 0.000 0.262 48 M C 1.501 177.775 176.300 -0.043 0.000 1.063 48 M CA 1.802 57.081 55.300 -0.035 0.000 1.097 48 M CB -0.547 32.038 32.600 -0.024 0.000 1.382 48 M HN 0.402 nan 8.290 nan 0.000 0.413 49 N N -0.563 118.096 118.700 -0.069 0.000 2.280 49 N HA 0.124 4.865 4.740 0.000 0.000 0.192 49 N C 0.913 176.368 175.510 -0.092 0.000 1.109 49 N CA 0.839 53.843 53.050 -0.076 0.000 0.855 49 N CB -0.060 38.379 38.487 -0.081 0.000 0.974 49 N HN 0.351 nan 8.380 nan 0.000 0.482 50 G N -1.228 107.532 108.800 -0.066 0.000 2.143 50 G HA2 -0.245 3.715 3.960 0.000 0.000 0.249 50 G HA3 -0.245 3.715 3.960 0.000 0.000 0.249 50 G C 0.964 175.835 174.900 -0.049 0.000 0.981 50 G CA 0.224 45.305 45.100 -0.031 0.000 0.665 50 G HN 0.670 nan 8.290 nan 0.000 0.528 51 G N -0.344 108.377 108.800 -0.131 0.000 2.471 51 G HA2 0.123 4.083 3.960 0.000 0.000 0.219 51 G HA3 0.123 4.083 3.960 0.000 0.000 0.219 51 G C 1.166 176.119 174.900 0.087 0.000 1.125 51 G CA 1.025 46.045 45.100 -0.133 0.000 0.775 51 G HN 0.596 nan 8.290 nan 0.000 0.548 52 F N 1.059 121.092 119.950 0.139 0.000 2.639 52 F HA 0.281 4.808 4.527 0.000 0.000 0.302 52 F C 1.047 177.029 175.800 0.303 0.000 1.097 52 F CA -0.915 57.258 58.000 0.289 0.000 1.294 52 F CB 0.526 39.723 39.000 0.328 0.000 1.027 52 F HN -0.114 nan 8.300 nan 0.000 0.550 53 S N 3.157 119.064 115.700 0.344 0.000 2.599 53 S HA -0.073 4.397 4.470 0.000 0.000 0.303 53 S C -1.119 173.723 174.600 0.403 0.000 1.267 53 S CA -0.586 57.775 58.200 0.268 0.000 1.055 53 S CB 0.511 63.814 63.200 0.172 0.000 0.790 53 S HN 0.183 nan 8.310 nan 0.000 0.500 54 P HA 0.044 nan 4.420 nan 0.000 0.241 54 P C 0.382 177.738 177.300 0.093 0.000 1.191 54 P CA -0.019 63.170 63.100 0.149 0.000 0.771 54 P CB 0.062 31.808 31.700 0.077 0.000 0.929 55 L N 2.273 123.555 121.223 0.098 0.000 2.559 55 L HA -0.060 4.280 4.340 0.000 0.000 0.282 55 L C 0.838 177.724 176.870 0.026 0.000 1.232 55 L CA 1.071 55.889 54.840 -0.036 0.000 0.885 55 L CB -0.377 41.578 42.059 -0.174 0.000 1.131 55 L HN 0.087 nan 8.230 nan 0.000 0.498 56 E N 3.049 123.236 120.200 -0.022 0.000 3.254 56 E HA 0.553 4.903 4.350 0.000 0.000 0.184 56 E C -0.104 176.475 176.600 -0.034 0.000 0.967 56 E CA -0.060 56.334 56.400 -0.011 0.000 1.311 56 E CB 0.111 29.813 29.700 0.003 0.000 1.071 56 E HN 0.773 nan 8.360 nan 0.000 0.456 57 G N 0.233 108.984 108.800 -0.081 0.000 2.430 57 G HA2 0.361 4.322 3.960 0.000 0.000 0.300 57 G HA3 0.361 4.322 3.960 0.000 0.000 0.300 57 G C -1.760 173.038 174.900 -0.171 0.000 1.330 57 G CA -1.065 43.990 45.100 -0.076 0.000 0.813 57 G HN 0.054 nan 8.290 nan 0.000 0.487 58 F N 0.963 120.933 119.950 0.033 0.000 2.410 58 F HA 0.495 5.022 4.527 0.000 0.000 0.348 58 F C 1.405 177.210 175.800 0.007 0.000 1.106 58 F CA -0.292 57.715 58.000 0.012 0.000 1.163 58 F CB 1.560 40.561 39.000 0.002 0.000 1.129 58 F HN 0.206 nan 8.300 nan 0.000 0.516 59 M N 4.775 124.457 119.600 0.138 0.000 2.394 59 M HA -0.141 4.339 4.480 0.000 0.000 0.394 59 M C 0.328 176.758 176.300 0.216 0.000 1.611 59 M CA 0.175 55.543 55.300 0.113 0.000 0.941 59 M CB -0.071 32.592 32.600 0.106 0.000 2.094 59 M HN 0.647 nan 8.290 nan 0.000 0.485 60 N N 2.726 121.520 118.700 0.156 0.000 2.322 60 N HA 0.015 4.755 4.740 0.000 0.000 0.270 60 N C 0.356 175.862 175.510 -0.008 0.000 1.286 60 N CA -0.291 52.852 53.050 0.156 0.000 0.948 60 N CB 0.256 38.777 38.487 0.058 0.000 1.164 60 N HN 0.689 nan 8.380 nan 0.000 0.551 61 Q N -1.159 118.366 119.800 -0.458 0.000 2.119 61 Q HA -0.089 4.251 4.340 0.000 0.000 0.201 61 Q C 1.758 177.639 176.000 -0.198 0.000 0.972 61 Q CA 1.558 56.907 55.803 -0.755 0.000 0.847 61 Q CB -0.332 27.743 28.738 -1.105 0.000 0.903 61 Q HN 0.746 nan 8.270 nan 0.000 0.433 62 A N 1.509 124.250 122.820 -0.131 0.000 1.851 62 A HA -0.253 4.067 4.320 0.000 0.000 0.216 62 A C 1.731 179.296 177.584 -0.031 0.000 1.195 62 A CA 1.987 53.985 52.037 -0.065 0.000 0.622 62 A CB -0.803 18.166 19.000 -0.052 0.000 0.831 62 A HN 0.396 nan 8.150 nan 0.000 0.444 63 D N -1.708 118.682 120.400 -0.016 0.000 2.092 63 D HA -0.186 4.454 4.640 0.000 0.000 0.193 63 D C 1.769 178.078 176.300 0.016 0.000 0.994 63 D CA 1.871 55.858 54.000 -0.022 0.000 0.828 63 D CB -0.592 40.179 40.800 -0.049 0.000 0.963 63 D HN 0.588 nan 8.370 nan 0.000 0.450 64 Y N 2.086 122.368 120.300 -0.030 0.000 2.128 64 Y HA -0.234 4.316 4.550 0.000 0.000 0.284 64 Y C 1.821 177.736 175.900 0.025 0.000 1.154 64 Y CA 1.841 59.963 58.100 0.037 0.000 1.149 64 Y CB -0.206 38.376 38.460 0.203 0.000 0.976 64 Y HN -0.138 nan 8.280 nan 0.000 0.505 65 D N -0.189 120.157 120.400 -0.089 0.000 2.117 65 D HA -0.175 4.465 4.640 0.000 0.000 0.197 65 D C 2.278 178.473 176.300 -0.176 0.000 0.987 65 D CA 1.488 55.381 54.000 -0.179 0.000 0.829 65 D CB -0.382 40.387 40.800 -0.050 0.000 0.961 65 D HN 0.349 nan 8.370 nan 0.000 0.460 66 R N 0.411 120.845 120.500 -0.110 0.000 2.115 66 R HA -0.052 4.288 4.340 0.000 0.000 0.230 66 R C 2.086 178.327 176.300 -0.099 0.000 1.111 66 R CA 0.562 56.612 56.100 -0.083 0.000 0.976 66 R CB -0.029 30.242 30.300 -0.048 0.000 0.870 66 R HN -0.013 nan 8.270 nan 0.000 0.445 67 V N -0.451 119.383 119.914 -0.133 0.000 2.379 67 V HA -0.272 3.848 4.120 0.000 0.000 0.245 67 V C 2.301 178.279 176.094 -0.193 0.000 1.044 67 V CA 1.553 63.778 62.300 -0.125 0.000 1.036 67 V CB -0.195 31.565 31.823 -0.105 0.000 0.664 67 V HN 0.536 nan 8.190 nan 0.000 0.453 68 C N 0.887 120.002 119.300 -0.307 0.000 2.429 68 C HA -0.124 4.336 4.460 0.000 0.000 0.277 68 C C 2.479 177.354 174.990 -0.192 0.000 1.262 68 C CA 1.380 60.209 59.018 -0.316 0.000 1.733 68 C CB -0.987 26.473 27.740 -0.465 0.000 2.010 68 C HN 0.785 nan 8.230 nan 0.000 0.483 69 E N -0.206 119.905 120.200 -0.148 0.000 2.476 69 E HA 0.051 4.401 4.350 0.000 0.000 0.199 69 E C -0.215 176.354 176.600 -0.051 0.000 1.021 69 E CA 0.708 57.056 56.400 -0.088 0.000 0.907 69 E CB -0.092 29.567 29.700 -0.069 0.000 0.974 69 E HN 0.528 nan 8.360 nan 0.000 0.489 70 D N 0.264 120.635 120.400 -0.049 0.000 2.538 70 D HA 0.092 4.732 4.640 0.000 0.000 0.241 70 D C -0.443 175.862 176.300 0.008 0.000 1.297 70 D CA -0.344 53.654 54.000 -0.003 0.000 0.804 70 D CB 0.385 41.189 40.800 0.008 0.000 1.122 70 D HN -0.095 nan 8.370 nan 0.000 0.519 71 N N 1.326 119.997 118.700 -0.047 0.000 2.721 71 N HA -0.210 4.530 4.740 0.000 0.000 0.249 71 N C -0.685 174.801 175.510 -0.041 0.000 1.072 71 N CA 0.828 53.824 53.050 -0.090 0.000 0.710 71 N CB -0.569 37.807 38.487 -0.184 0.000 0.993 71 N HN 0.412 nan 8.380 nan 0.000 0.547 72 R N -0.612 119.892 120.500 0.007 0.000 2.740 72 R HA 0.554 4.894 4.340 0.000 0.000 0.273 72 R C 0.056 176.373 176.300 0.028 0.000 0.998 72 R CA -0.816 55.312 56.100 0.047 0.000 0.900 72 R CB 1.475 31.802 30.300 0.047 0.000 1.223 72 R HN -0.037 nan 8.270 nan 0.000 0.466 73 L N 0.991 122.236 121.223 0.037 0.000 2.454 73 L HA 0.355 4.696 4.340 0.000 0.000 0.256 73 L C 1.662 178.522 176.870 -0.017 0.000 1.136 73 L CA -0.171 54.655 54.840 -0.023 0.000 0.804 73 L CB 0.833 42.862 42.059 -0.051 0.000 1.181 73 L HN 0.848 nan 8.230 nan 0.000 0.469 74 A N 1.004 123.805 122.820 -0.031 0.000 1.927 74 A HA -0.259 4.061 4.320 0.000 0.000 0.220 74 A C 1.639 179.214 177.584 -0.015 0.000 1.185 74 A CA 2.136 54.159 52.037 -0.023 0.000 0.639 74 A CB -0.833 18.151 19.000 -0.027 0.000 0.820 74 A HN 0.973 nan 8.150 nan 0.000 0.451 75 D N -1.912 118.478 120.400 -0.016 0.000 2.392 75 D HA 0.232 4.873 4.640 0.000 0.000 0.228 75 D C 1.208 177.504 176.300 -0.006 0.000 1.003 75 D CA 1.292 55.284 54.000 -0.013 0.000 0.917 75 D CB -0.689 40.100 40.800 -0.018 0.000 0.890 75 D HN 0.941 nan 8.370 nan 0.000 0.532 76 G N -0.284 108.519 108.800 0.004 0.000 2.268 76 G HA2 -0.317 3.643 3.960 0.000 0.000 0.240 76 G HA3 -0.317 3.643 3.960 0.000 0.000 0.240 76 G C 0.151 175.071 174.900 0.033 0.000 1.010 76 G CA -0.043 45.068 45.100 0.017 0.000 0.618 76 G HN 0.526 nan 8.290 nan 0.000 0.516 77 N N 0.514 119.225 118.700 0.019 0.000 2.454 77 N HA 0.393 5.133 4.740 0.000 0.000 0.254 77 N C 0.618 176.224 175.510 0.160 0.000 1.228 77 N CA 0.229 53.294 53.050 0.026 0.000 0.900 77 N CB 1.200 39.643 38.487 -0.073 0.000 1.089 77 N HN 0.277 nan 8.380 nan 0.000 0.449 78 V N 2.325 122.377 119.914 0.230 0.000 2.740 78 V HA 0.159 4.279 4.120 0.000 0.000 0.303 78 V C -0.167 176.094 176.094 0.278 0.000 1.054 78 V CA 0.462 62.859 62.300 0.160 0.000 1.106 78 V CB -0.505 31.340 31.823 0.037 0.000 0.957 78 V HN 0.577 nan 8.190 nan 0.000 0.486 79 F N 2.742 122.652 119.950 -0.068 0.000 3.130 79 F HA 0.245 4.772 4.527 0.000 0.000 0.349 79 F C 0.542 176.235 175.800 -0.179 0.000 1.158 79 F CA -0.293 57.661 58.000 -0.078 0.000 1.274 79 F CB 1.423 40.411 39.000 -0.020 0.000 1.594 79 F HN 0.447 nan 8.300 nan 0.000 0.720 80 S N 3.324 118.893 115.700 -0.219 0.000 2.577 80 S HA 0.312 4.782 4.470 0.000 0.000 0.219 80 S C -0.042 174.382 174.600 -0.294 0.000 0.962 80 S CA -0.238 57.823 58.200 -0.231 0.000 0.921 80 S CB 0.247 63.279 63.200 -0.280 0.000 0.789 80 S HN 0.460 nan 8.310 nan 0.000 0.497 81 M N 3.416 122.824 119.600 -0.321 0.000 2.197 81 M HA 0.519 4.999 4.480 0.000 0.000 0.301 81 M C -3.035 173.111 176.300 -0.257 0.000 0.987 81 M CA -2.623 52.347 55.300 -0.549 0.000 0.921 81 M CB 1.939 33.638 32.600 -1.502 0.000 1.569 81 M HN -0.191 nan 8.290 nan 0.000 0.431 82 P HA 0.235 nan 4.420 nan 0.000 0.276 82 P C -1.091 176.180 177.300 -0.048 0.000 1.230 82 P CA -0.112 62.989 63.100 0.002 0.000 0.776 82 P CB 0.500 32.333 31.700 0.221 0.000 0.888 83 I N 3.728 124.271 120.570 -0.044 0.000 2.420 83 I HA 0.318 4.488 4.170 0.000 0.000 0.282 83 I C 0.712 176.899 176.117 0.116 0.000 1.019 83 I CA -0.307 60.991 61.300 -0.003 0.000 1.130 83 I CB 0.903 38.822 38.000 -0.135 0.000 1.262 83 I HN 0.395 nan 8.210 nan 0.000 0.454 84 T N 3.525 118.126 114.554 0.079 0.000 2.883 84 T HA 0.747 5.097 4.350 0.000 0.000 0.296 84 T C -1.014 173.517 174.700 -0.282 0.000 1.117 84 T CA -0.800 61.223 62.100 -0.127 0.000 1.006 84 T CB 2.502 70.790 68.868 -0.966 0.000 1.191 84 T HN 0.247 nan 8.240 nan 0.000 0.508 85 L N 2.402 123.314 121.223 -0.519 0.000 2.313 85 L HA 0.650 4.990 4.340 0.000 0.000 0.283 85 L C -1.119 175.544 176.870 -0.346 0.000 1.013 85 L CA -0.381 54.041 54.840 -0.696 0.000 0.816 85 L CB 1.247 42.728 42.059 -0.964 0.000 1.236 85 L HN 0.884 nan 8.230 nan 0.000 0.419 86 D N 4.455 124.732 120.400 -0.205 0.000 2.498 86 D HA 0.716 5.356 4.640 0.000 0.000 0.247 86 D C -1.097 175.197 176.300 -0.010 0.000 1.070 86 D CA -0.521 53.473 54.000 -0.009 0.000 0.842 86 D CB 2.329 43.199 40.800 0.117 0.000 1.361 86 D HN 0.704 nan 8.370 nan 0.000 0.484 87 A N 1.196 124.043 122.820 0.045 0.000 2.486 87 A HA 0.715 5.036 4.320 0.000 0.000 0.289 87 A C -0.391 177.268 177.584 0.125 0.000 1.176 87 A CA -0.664 51.397 52.037 0.040 0.000 0.757 87 A CB 1.644 20.646 19.000 0.004 0.000 1.337 87 A HN 0.691 nan 8.150 nan 0.000 0.423 88 S N -0.648 115.112 115.700 0.100 0.000 2.621 88 S HA 0.413 4.883 4.470 0.000 0.000 0.302 88 S C 0.734 175.423 174.600 0.149 0.000 1.093 88 S CA -0.158 58.139 58.200 0.161 0.000 1.017 88 S CB 1.591 64.830 63.200 0.065 0.000 1.077 88 S HN 0.770 nan 8.310 nan 0.000 0.517 89 Q N 1.094 121.046 119.800 0.254 0.000 2.096 89 Q HA -0.226 4.114 4.340 0.000 0.000 0.208 89 Q C 1.476 177.475 176.000 -0.002 0.000 0.993 89 Q CA 2.662 58.526 55.803 0.101 0.000 0.862 89 Q CB -0.741 28.121 28.738 0.207 0.000 0.915 89 Q HN 0.881 nan 8.270 nan 0.000 0.416 90 E N -0.817 119.396 120.200 0.021 0.000 2.049 90 E HA -0.152 4.199 4.350 0.000 0.000 0.198 90 E C 2.045 178.635 176.600 -0.018 0.000 1.007 90 E CA 1.611 58.010 56.400 -0.002 0.000 0.809 90 E CB -0.577 29.125 29.700 0.003 0.000 0.749 90 E HN 0.238 nan 8.360 nan 0.000 0.450 91 V N 0.909 120.814 119.914 -0.014 0.000 2.427 91 V HA -0.205 3.915 4.120 0.000 0.000 0.248 91 V C 2.152 178.219 176.094 -0.045 0.000 1.051 91 V CA 1.363 63.649 62.300 -0.024 0.000 1.048 91 V CB -0.431 31.382 31.823 -0.018 0.000 0.666 91 V HN 0.265 nan 8.190 nan 0.000 0.456 92 I N 0.086 120.613 120.570 -0.072 0.000 2.226 92 I HA -0.217 3.953 4.170 0.000 0.000 0.245 92 I C 2.263 178.322 176.117 -0.097 0.000 1.100 92 I CA 1.616 62.844 61.300 -0.120 0.000 1.374 92 I CB -0.479 37.376 38.000 -0.242 0.000 1.057 92 I HN 0.364 nan 8.210 nan 0.000 0.413 93 D N 0.535 120.885 120.400 -0.082 0.000 2.091 93 D HA -0.192 4.449 4.640 0.000 0.000 0.199 93 D C 2.035 178.310 176.300 -0.042 0.000 0.980 93 D CA 0.906 54.870 54.000 -0.061 0.000 0.831 93 D CB -0.507 40.264 40.800 -0.049 0.000 0.987 93 D HN 0.243 nan 8.370 nan 0.000 0.460 94 E N 1.218 121.398 120.200 -0.034 0.000 2.273 94 E HA -0.195 4.155 4.350 0.000 0.000 0.198 94 E C 0.921 177.507 176.600 -0.024 0.000 1.002 94 E CA 0.991 57.376 56.400 -0.025 0.000 0.828 94 E CB 0.128 29.816 29.700 -0.020 0.000 0.747 94 E HN 0.280 nan 8.360 nan 0.000 0.491 95 K N -0.143 120.239 120.400 -0.030 0.000 2.374 95 K HA 0.115 4.435 4.320 0.000 0.000 0.202 95 K C -0.150 176.432 176.600 -0.030 0.000 1.040 95 K CA -0.125 56.147 56.287 -0.027 0.000 1.085 95 K CB 0.640 33.124 32.500 -0.026 0.000 0.873 95 K HN -0.040 nan 8.250 nan 0.000 0.539 96 K N 1.496 121.874 120.400 -0.037 0.000 3.150 96 K HA -0.172 4.148 4.320 0.000 0.000 0.267 96 K C -0.576 175.999 176.600 -0.042 0.000 1.028 96 K CA 0.307 56.571 56.287 -0.038 0.000 0.753 96 K CB -1.962 30.522 32.500 -0.027 0.000 1.288 96 K HN 0.212 nan 8.250 nan 0.000 0.473 97 L N 1.379 122.569 121.223 -0.056 0.000 2.397 97 L HA 0.173 4.514 4.340 0.000 0.000 0.271 97 L C 0.746 177.580 176.870 -0.061 0.000 1.148 97 L CA 0.339 55.146 54.840 -0.055 0.000 0.825 97 L CB 0.723 42.741 42.059 -0.068 0.000 1.117 97 L HN 0.374 nan 8.230 nan 0.000 0.456 98 Q N 2.463 122.239 119.800 -0.040 0.000 2.756 98 Q HA 0.589 4.930 4.340 0.000 0.000 0.295 98 Q C -1.391 174.603 176.000 -0.010 0.000 0.903 98 Q CA -1.007 54.776 55.803 -0.033 0.000 0.768 98 Q CB 1.370 30.089 28.738 -0.031 0.000 1.472 98 Q HN 0.600 nan 8.270 nan 0.000 0.416 99 A N 0.763 123.583 122.820 -0.001 0.000 2.587 99 A HA 0.367 4.687 4.320 0.000 0.000 0.235 99 A C 1.235 178.825 177.584 0.009 0.000 1.044 99 A CA 1.461 53.506 52.037 0.013 0.000 0.754 99 A CB -0.826 18.183 19.000 0.016 0.000 0.968 99 A HN 2.161 nan 8.150 nan 0.000 0.509 100 A N 1.913 124.743 122.820 0.015 0.000 3.891 100 A HA -0.132 4.188 4.320 0.000 0.000 0.247 100 A C 1.106 178.696 177.584 0.010 0.000 0.892 100 A CA 1.042 53.087 52.037 0.012 0.000 1.522 100 A CB -2.547 nan 19.000 nan 0.000 0.963 100 A HN 1.759 nan 8.150 nan 0.000 0.773 101 S N 0.548 116.252 115.700 0.007 0.000 2.558 101 S HA 0.409 4.879 4.470 0.000 0.000 0.288 101 S C 0.503 175.110 174.600 0.011 0.000 1.318 101 S CA 0.074 58.277 58.200 0.004 0.000 1.056 101 S CB 0.310 63.507 63.200 -0.004 0.000 0.853 101 S HN 0.499 nan 8.310 nan 0.000 0.505 102 R N 2.425 122.932 120.500 0.010 0.000 2.310 102 R HA 0.469 4.809 4.340 0.000 0.000 0.324 102 R C -0.195 176.113 176.300 0.014 0.000 0.955 102 R CA -0.338 55.771 56.100 0.016 0.000 0.830 102 R CB 0.669 30.978 30.300 0.015 0.000 1.154 102 R HN 0.622 nan 8.270 nan 0.000 0.458 103 I N -1.391 119.191 120.570 0.020 0.000 2.797 103 I HA 0.558 4.728 4.170 0.000 0.000 0.307 103 I C -0.261 175.871 176.117 0.025 0.000 1.033 103 I CA -0.826 60.484 61.300 0.016 0.000 1.071 103 I CB 2.356 40.361 38.000 0.009 0.000 1.255 103 I HN 0.177 nan 8.210 nan 0.000 0.445 104 T N 5.349 119.915 114.554 0.021 0.000 2.799 104 T HA 0.522 4.872 4.350 0.000 0.000 0.286 104 T C -0.137 174.582 174.700 0.031 0.000 0.973 104 T CA -0.435 61.681 62.100 0.026 0.000 1.035 104 T CB 0.942 69.822 68.868 0.019 0.000 0.932 104 T HN 0.351 nan 8.240 nan 0.000 0.469 105 L N 4.105 125.355 121.223 0.045 0.000 2.264 105 L HA 0.529 4.870 4.340 0.000 0.000 0.287 105 L C 0.551 177.450 176.870 0.048 0.000 1.039 105 L CA -0.718 54.154 54.840 0.054 0.000 0.829 105 L CB 0.654 42.772 42.059 0.099 0.000 1.211 105 L HN 0.410 nan 8.230 nan 0.000 0.427 106 R N 1.847 122.373 120.500 0.043 0.000 2.536 106 R HA 0.233 4.573 4.340 0.000 0.000 0.279 106 R C -0.526 175.803 176.300 0.048 0.000 1.001 106 R CA -0.661 55.461 56.100 0.037 0.000 1.027 106 R CB 1.367 31.689 30.300 0.036 0.000 1.096 106 R HN 0.480 nan 8.270 nan 0.000 0.502 107 D N 3.615 124.017 120.400 0.004 0.000 2.264 107 D HA 0.000 4.640 4.640 0.000 0.000 0.250 107 D C 0.823 177.102 176.300 -0.036 0.000 1.113 107 D CA -0.328 53.633 54.000 -0.065 0.000 0.871 107 D CB 0.704 41.420 40.800 -0.141 0.000 1.167 107 D HN 0.520 nan 8.370 nan 0.000 0.447 108 F N 3.691 123.651 119.950 0.017 0.000 2.456 108 F HA 0.155 4.682 4.527 0.000 0.000 0.298 108 F C 1.871 177.684 175.800 0.022 0.000 1.104 108 F CA 0.246 58.258 58.000 0.019 0.000 1.435 108 F CB -0.279 38.734 39.000 0.022 0.000 1.078 108 F HN 0.209 nan 8.300 nan 0.000 0.546 109 R N 0.905 121.014 120.500 -0.652 0.000 2.075 109 R HA -0.086 4.255 4.340 0.000 0.000 0.232 109 R C 0.454 176.700 176.300 -0.089 0.000 1.126 109 R CA 1.656 57.554 56.100 -0.336 0.000 0.963 109 R CB -0.562 29.467 30.300 -0.452 0.000 0.858 109 R HN 0.547 nan 8.270 nan 0.000 0.435 110 D N -2.034 118.309 120.400 -0.095 0.000 2.651 110 D HA 0.038 4.678 4.640 0.000 0.000 0.280 110 D C -0.604 175.687 176.300 -0.014 0.000 1.496 110 D CA -0.365 53.618 54.000 -0.028 0.000 0.792 110 D CB 0.067 40.861 40.800 -0.011 0.000 1.144 110 D HN -0.119 nan 8.370 nan 0.000 0.470 111 D N 0.552 120.948 120.400 -0.005 0.000 2.860 111 D HA -0.190 4.450 4.640 0.000 0.000 0.229 111 D C -0.242 176.056 176.300 -0.002 0.000 1.169 111 D CA 0.656 54.661 54.000 0.009 0.000 0.737 111 D CB -0.377 40.434 40.800 0.020 0.000 1.080 111 D HN 0.417 nan 8.370 nan 0.000 0.424 112 R N 0.834 121.322 120.500 -0.021 0.000 2.490 112 R HA 0.195 4.535 4.340 0.000 0.000 0.280 112 R C 0.604 176.895 176.300 -0.015 0.000 1.077 112 R CA -0.350 55.737 56.100 -0.022 0.000 1.065 112 R CB 0.436 30.710 30.300 -0.043 0.000 1.003 112 R HN 0.041 nan 8.270 nan 0.000 0.470 113 N N 3.594 122.290 118.700 -0.007 0.000 2.408 113 N HA 0.095 4.835 4.740 0.000 0.000 0.257 113 N C 0.973 176.482 175.510 -0.001 0.000 1.064 113 N CA -0.037 53.015 53.050 0.002 0.000 0.952 113 N CB 1.171 39.661 38.487 0.005 0.000 1.093 113 N HN 0.411 nan 8.380 nan 0.000 0.490 114 L N 0.465 121.692 121.223 0.007 0.000 2.357 114 L HA 0.405 4.745 4.340 0.000 0.000 0.211 114 L C 0.801 177.684 176.870 0.022 0.000 1.075 114 L CA 0.299 55.143 54.840 0.007 0.000 0.830 114 L CB 0.045 42.111 42.059 0.011 0.000 0.996 114 L HN 0.466 nan 8.230 nan 0.000 0.467 115 A N -0.116 122.728 122.820 0.039 0.000 2.567 115 A HA 0.640 4.960 4.320 0.000 0.000 0.291 115 A C -1.596 176.020 177.584 0.052 0.000 1.048 115 A CA -0.523 51.542 52.037 0.046 0.000 0.661 115 A CB 0.869 19.909 19.000 0.066 0.000 1.288 115 A HN -0.005 nan 8.150 nan 0.000 0.424 116 I N 1.265 121.863 120.570 0.048 0.000 2.339 116 I HA 0.447 4.617 4.170 0.000 0.000 0.290 116 I C -0.422 175.732 176.117 0.062 0.000 0.994 116 I CA -0.452 60.876 61.300 0.046 0.000 1.191 116 I CB 1.529 39.548 38.000 0.032 0.000 1.343 116 I HN 0.633 nan 8.210 nan 0.000 0.458 117 L N 5.967 127.235 121.223 0.074 0.000 2.309 117 L HA 0.510 4.850 4.340 0.000 0.000 0.282 117 L C -0.268 176.641 176.870 0.065 0.000 1.036 117 L CA -0.010 54.886 54.840 0.094 0.000 0.806 117 L CB 1.546 43.686 42.059 0.135 0.000 1.220 117 L HN 0.503 nan 8.230 nan 0.000 0.429 118 T N 6.213 120.804 114.554 0.062 0.000 2.801 118 T HA 0.434 4.785 4.350 0.000 0.000 0.306 118 T C 0.228 174.959 174.700 0.052 0.000 1.020 118 T CA -0.287 61.840 62.100 0.046 0.000 0.948 118 T CB 0.069 68.959 68.868 0.036 0.000 0.962 118 T HN 0.382 nan 8.240 nan 0.000 0.465 119 I N 3.651 124.248 120.570 0.046 0.000 2.828 119 I HA -0.063 4.107 4.170 0.000 0.000 0.292 119 I C 1.076 177.225 176.117 0.054 0.000 1.206 119 I CA 0.034 61.366 61.300 0.053 0.000 1.420 119 I CB 0.413 38.435 38.000 0.036 0.000 1.368 119 I HN 0.609 nan 8.210 nan 0.000 0.556 120 D N 4.263 124.706 120.400 0.072 0.000 2.154 120 D HA -0.021 4.619 4.640 0.000 0.000 0.211 120 D C 0.178 176.520 176.300 0.071 0.000 0.977 120 D CA 1.319 55.356 54.000 0.063 0.000 0.869 120 D CB 0.202 41.043 40.800 0.068 0.000 1.022 120 D HN 0.728 nan 8.370 nan 0.000 0.461 121 D N -1.260 119.210 120.400 0.117 0.000 2.592 121 D HA 0.431 5.071 4.640 0.000 0.000 0.263 121 D C -0.819 175.612 176.300 0.217 0.000 1.132 121 D CA -0.678 53.413 54.000 0.152 0.000 0.996 121 D CB 1.367 42.256 40.800 0.148 0.000 1.442 121 D HN -0.024 nan 8.370 nan 0.000 0.486 122 I N 0.895 121.594 120.570 0.215 0.000 2.542 122 I HA 0.304 4.474 4.170 0.000 0.000 0.278 122 I C -1.366 174.892 176.117 0.236 0.000 1.069 122 I CA -0.856 60.524 61.300 0.134 0.000 1.100 122 I CB 0.750 38.729 38.000 -0.035 0.000 1.204 122 I HN 0.417 nan 8.210 nan 0.000 0.470 123 Y N 2.273 122.662 120.300 0.149 0.000 2.598 123 Y HA 0.864 5.414 4.550 0.000 0.000 0.340 123 Y C 0.154 176.162 175.900 0.180 0.000 1.038 123 Y CA -1.342 56.859 58.100 0.169 0.000 1.100 123 Y CB 0.840 39.354 38.460 0.090 0.000 1.281 123 Y HN 0.358 nan 8.280 nan 0.000 0.488 124 R N 2.374 122.954 120.500 0.133 0.000 2.287 124 R HA 0.479 4.819 4.340 0.000 0.000 0.327 124 R C -2.950 173.221 176.300 -0.214 0.000 1.109 124 R CA -1.987 53.981 56.100 -0.220 0.000 1.013 124 R CB -1.223 nan 30.300 nan 0.000 1.126 124 R HN 0.685 nan 8.270 nan 0.000 0.503 125 P HA 0.107 nan 4.420 nan 0.000 0.271 125 P C -1.127 176.066 177.300 -0.179 0.000 1.218 125 P CA -0.263 62.669 63.100 -0.280 0.000 0.780 125 P CB 1.161 32.342 31.700 -0.865 0.000 0.901 126 D N 1.667 122.070 120.400 0.006 0.000 2.339 126 D HA 0.083 4.723 4.640 0.000 0.000 0.241 126 D C 0.851 177.162 176.300 0.019 0.000 1.183 126 D CA -0.294 53.699 54.000 -0.012 0.000 0.859 126 D CB 0.622 41.436 40.800 0.023 0.000 1.067 126 D HN 0.145 nan 8.370 nan 0.000 0.484 127 K N 1.677 122.060 120.400 -0.029 0.000 2.217 127 K HA -0.052 4.268 4.320 0.000 0.000 0.202 127 K C 1.596 178.228 176.600 0.053 0.000 1.051 127 K CA 1.018 57.320 56.287 0.025 0.000 0.952 127 K CB 0.213 32.702 32.500 -0.018 0.000 0.736 127 K HN 0.438 nan 8.250 nan 0.000 0.453 128 T N 1.297 115.867 114.554 0.027 0.000 2.777 128 T HA -0.152 4.198 4.350 0.000 0.000 0.266 128 T C 1.779 176.506 174.700 0.045 0.000 1.040 128 T CA 1.199 63.320 62.100 0.034 0.000 1.141 128 T CB -0.010 68.868 68.868 0.017 0.000 0.868 128 T HN 0.267 nan 8.240 nan 0.000 0.444 129 K N 1.138 121.562 120.400 0.039 0.000 2.025 129 K HA -0.130 4.190 4.320 0.000 0.000 0.207 129 K C 2.354 178.973 176.600 0.031 0.000 1.049 129 K CA 1.412 57.717 56.287 0.029 0.000 0.933 129 K CB -0.111 32.402 32.500 0.023 0.000 0.714 129 K HN 0.361 nan 8.250 nan 0.000 0.438 130 E N 0.042 120.287 120.200 0.074 0.000 2.033 130 E HA -0.233 4.117 4.350 0.000 0.000 0.199 130 E C 1.840 178.501 176.600 0.101 0.000 1.011 130 E CA 1.375 57.832 56.400 0.094 0.000 0.815 130 E CB -0.214 29.644 29.700 0.264 0.000 0.755 130 E HN 0.458 nan 8.360 nan 0.000 0.451 131 A N 0.842 123.761 122.820 0.166 0.000 1.978 131 A HA -0.239 4.081 4.320 0.000 0.000 0.220 131 A C 2.013 179.674 177.584 0.130 0.000 1.170 131 A CA 2.017 54.179 52.037 0.208 0.000 0.636 131 A CB -0.382 18.701 19.000 0.139 0.000 0.810 131 A HN 0.137 nan 8.150 nan 0.000 0.448 132 K N -0.022 120.421 120.400 0.072 0.000 2.005 132 K HA 0.114 4.434 4.320 0.000 0.000 0.206 132 K C 1.769 178.384 176.600 0.025 0.000 1.044 132 K CA 1.299 57.619 56.287 0.055 0.000 0.942 132 K CB -0.592 31.933 32.500 0.041 0.000 0.727 132 K HN 0.389 nan 8.250 nan 0.000 0.439 133 L N 0.203 121.414 121.223 -0.021 0.000 1.976 133 L HA -0.143 4.197 4.340 0.000 0.000 0.209 133 L C 2.354 179.143 176.870 -0.135 0.000 1.071 133 L CA 1.206 56.008 54.840 -0.062 0.000 0.746 133 L CB -0.615 41.391 42.059 -0.088 0.000 0.890 133 L HN 0.000 nan 8.230 nan 0.000 0.432 134 V N -0.968 118.782 119.914 -0.273 0.000 2.323 134 V HA -0.220 3.900 4.120 0.000 0.000 0.244 134 V C 1.773 177.476 176.094 -0.652 0.000 1.041 134 V CA 1.815 63.766 62.300 -0.581 0.000 1.025 134 V CB -0.468 30.774 31.823 -0.967 0.000 0.656 134 V HN 0.287 nan 8.190 nan 0.000 0.451 135 F N -0.294 119.622 119.950 -0.057 0.000 2.678 135 F HA 0.538 5.066 4.527 0.000 0.000 0.305 135 F C 1.736 177.562 175.800 0.043 0.000 1.090 135 F CA 0.685 58.620 58.000 -0.109 0.000 1.272 135 F CB 0.714 39.427 39.000 -0.479 0.000 1.060 135 F HN 0.254 nan 8.300 nan 0.000 0.576 136 G N -0.095 108.835 108.800 0.217 0.000 2.284 136 G HA2 -0.082 3.878 3.960 0.000 0.000 0.216 136 G HA3 -0.082 3.878 3.960 0.000 0.000 0.216 136 G C 1.279 176.280 174.900 0.167 0.000 1.009 136 G CA -0.070 45.174 45.100 0.240 0.000 0.625 136 G HN 0.989 nan 8.290 nan 0.000 0.501 137 G N -0.112 108.775 108.800 0.144 0.000 2.284 137 G HA2 -0.239 3.721 3.960 0.000 0.000 0.230 137 G HA3 -0.239 3.721 3.960 0.000 0.000 0.230 137 G C 0.141 175.123 174.900 0.136 0.000 1.021 137 G CA 1.020 46.191 45.100 0.120 0.000 0.619 137 G HN 1.422 nan 8.290 nan 0.000 0.510 138 D N 2.208 122.727 120.400 0.198 0.000 2.472 138 D HA 0.258 4.898 4.640 0.000 0.000 0.248 138 D C -0.528 175.911 176.300 0.231 0.000 1.174 138 D CA -0.866 53.288 54.000 0.256 0.000 0.883 138 D CB 1.234 42.327 40.800 0.488 0.000 1.149 138 D HN 0.185 nan 8.370 nan 0.000 0.488 139 P HA -0.077 nan 4.420 nan 0.000 0.222 139 P C 0.509 177.895 177.300 0.143 0.000 1.147 139 P CA 0.944 64.118 63.100 0.122 0.000 0.790 139 P CB 0.297 32.048 31.700 0.085 0.000 0.780 140 E N -2.446 117.890 120.200 0.227 0.000 2.479 140 E HA -0.042 4.308 4.350 0.000 0.000 0.193 140 E C 0.598 177.340 176.600 0.237 0.000 1.049 140 E CA -0.171 56.374 56.400 0.242 0.000 0.870 140 E CB -0.165 29.695 29.700 0.267 0.000 0.944 140 E HN 0.331 nan 8.360 nan 0.000 0.492 141 H N 1.414 120.477 119.070 -0.012 0.000 2.929 141 H HA 0.008 4.564 4.556 0.000 0.000 0.317 141 H C -1.882 173.277 175.328 -0.283 0.000 1.031 141 H CA -1.781 53.953 56.048 -0.523 0.000 1.466 141 H CB 1.184 30.623 29.762 -0.537 0.000 1.482 141 H HN -0.115 nan 8.280 nan 0.000 0.561 142 P HA -0.240 nan 4.420 nan 0.000 0.217 142 P C 1.175 178.502 177.300 0.045 0.000 1.162 142 P CA 2.734 65.825 63.100 -0.015 0.000 0.901 142 P CB -0.031 31.588 31.700 -0.134 0.000 0.793 143 A N -1.377 121.479 122.820 0.060 0.000 1.978 143 A HA -0.193 4.127 4.320 0.000 0.000 0.220 143 A C 2.230 179.604 177.584 -0.351 0.000 1.170 143 A CA 1.571 53.342 52.037 -0.444 0.000 0.636 143 A CB -1.558 16.578 19.000 -1.440 0.000 0.810 143 A HN 0.151 nan 8.150 nan 0.000 0.448 144 I N -0.964 119.465 120.570 -0.235 0.000 2.277 144 I HA -0.151 4.019 4.170 0.000 0.000 0.243 144 I C 2.313 178.435 176.117 0.007 0.000 1.094 144 I CA 0.782 62.033 61.300 -0.082 0.000 1.393 144 I CB -0.317 37.668 38.000 -0.025 0.000 1.078 144 I HN 0.128 nan 8.210 nan 0.000 0.417 145 V N 0.456 120.391 119.914 0.036 0.000 2.324 145 V HA -0.346 3.774 4.120 0.000 0.000 0.250 145 V C 2.317 178.441 176.094 0.049 0.000 1.060 145 V CA 2.118 64.444 62.300 0.044 0.000 1.042 145 V CB -0.789 31.067 31.823 0.055 0.000 0.650 145 V HN 0.424 nan 8.190 nan 0.000 0.450 146 Y N -0.167 120.099 120.300 -0.057 0.000 2.242 146 Y HA -0.190 4.361 4.550 0.000 0.000 0.291 146 Y C 2.186 178.062 175.900 -0.040 0.000 1.137 146 Y CA 1.660 59.729 58.100 -0.052 0.000 1.181 146 Y CB -0.051 38.367 38.460 -0.071 0.000 0.989 146 Y HN 0.223 nan 8.280 nan 0.000 0.527 147 L N 0.649 121.925 121.223 0.088 0.000 2.141 147 L HA -0.164 4.176 4.340 0.000 0.000 0.209 147 L C 1.680 178.536 176.870 -0.024 0.000 1.094 147 L CA 1.721 56.595 54.840 0.058 0.000 0.763 147 L CB -0.803 41.319 42.059 0.106 0.000 0.908 147 L HN 0.218 nan 8.230 nan 0.000 0.437 148 N N -0.374 118.307 118.700 -0.031 0.000 2.290 148 N HA -0.048 4.692 4.740 0.000 0.000 0.179 148 N C 1.073 176.535 175.510 -0.080 0.000 1.016 148 N CA 1.076 54.099 53.050 -0.045 0.000 0.871 148 N CB -0.176 38.300 38.487 -0.020 0.000 0.987 148 N HN 0.422 nan 8.380 nan 0.000 0.431 149 N N -0.878 117.758 118.700 -0.107 0.000 2.348 149 N HA 0.083 4.823 4.740 0.000 0.000 0.183 149 N C 1.047 176.436 175.510 -0.201 0.000 1.094 149 N CA 0.545 53.520 53.050 -0.125 0.000 0.885 149 N CB 0.296 38.733 38.487 -0.083 0.000 1.065 149 N HN 0.083 nan 8.380 nan 0.000 0.472 150 T N 0.156 114.495 114.554 -0.358 0.000 3.056 150 T HA 0.209 4.559 4.350 0.000 0.000 0.243 150 T C 0.769 175.238 174.700 -0.386 0.000 0.995 150 T CA -0.092 61.727 62.100 -0.467 0.000 1.091 150 T CB 0.581 68.922 68.868 -0.877 0.000 0.990 150 T HN -0.189 nan 8.240 nan 0.000 0.464 151 V N 3.900 123.587 119.914 -0.379 0.000 2.673 151 V HA 0.094 4.214 4.120 0.000 0.000 0.303 151 V C 0.746 176.782 176.094 -0.098 0.000 1.046 151 V CA -0.109 62.101 62.300 -0.150 0.000 1.126 151 V CB 0.343 32.172 31.823 0.011 0.000 0.934 151 V HN 0.261 nan 8.190 nan 0.000 0.487 152 K N 3.166 123.537 120.400 -0.049 0.000 2.273 152 K HA 0.135 4.455 4.320 0.000 0.000 0.240 152 K C 1.361 177.892 176.600 -0.115 0.000 1.056 152 K CA -0.240 56.014 56.287 -0.056 0.000 0.910 152 K CB 0.466 32.962 32.500 -0.006 0.000 1.196 152 K HN 0.778 nan 8.250 nan 0.000 0.509 153 E N -0.248 119.858 120.200 -0.157 0.000 2.072 153 E HA -0.073 4.277 4.350 0.000 0.000 0.191 153 E C -0.262 175.916 176.600 -0.702 0.000 0.985 153 E CA 1.018 57.159 56.400 -0.432 0.000 0.801 153 E CB 0.185 29.584 29.700 -0.502 0.000 0.750 153 E HN 0.316 nan 8.360 nan 0.000 0.452 154 F N -0.898 118.942 119.950 -0.182 0.000 2.541 154 F HA 0.423 4.950 4.527 0.000 0.000 0.331 154 F C -0.401 175.303 175.800 -0.159 0.000 1.057 154 F CA -0.823 57.024 58.000 -0.255 0.000 0.975 154 F CB 0.947 39.843 39.000 -0.174 0.000 1.246 154 F HN -0.154 nan 8.300 nan 0.000 0.484 155 Y N 1.358 121.441 120.300 -0.361 0.000 2.393 155 Y HA 0.593 5.143 4.550 0.000 0.000 0.341 155 Y C -0.397 175.260 175.900 -0.405 0.000 0.988 155 Y CA -1.118 56.667 58.100 -0.526 0.000 1.078 155 Y CB 1.948 39.819 38.460 -0.982 0.000 1.203 155 Y HN 0.222 nan 8.280 nan 0.000 0.453 156 I N 2.750 123.291 120.570 -0.049 0.000 2.354 156 I HA 0.430 4.600 4.170 0.000 0.000 0.292 156 I C 0.324 176.505 176.117 0.108 0.000 0.989 156 I CA -0.345 60.970 61.300 0.025 0.000 1.188 156 I CB 1.609 39.600 38.000 -0.014 0.000 1.342 156 I HN 0.660 nan 8.210 nan 0.000 0.457 157 G N 3.410 112.339 108.800 0.216 0.000 2.432 157 G HA2 0.817 4.777 3.960 0.000 0.000 0.331 157 G HA3 0.817 4.777 3.960 0.000 0.000 0.331 157 G C -0.667 174.332 174.900 0.165 0.000 1.170 157 G CA -0.842 44.400 45.100 0.235 0.000 0.943 157 G HN 0.906 nan 8.290 nan 0.000 0.483 158 G N 0.577 109.469 108.800 0.152 0.000 2.402 158 G HA2 0.414 4.374 3.960 0.000 0.000 0.301 158 G HA3 0.414 4.374 3.960 0.000 0.000 0.301 158 G C -1.087 173.871 174.900 0.096 0.000 1.615 158 G CA -1.016 44.150 45.100 0.110 0.000 0.889 158 G HN 0.540 nan 8.290 nan 0.000 0.647 159 K N 0.556 120.993 120.400 0.061 0.000 2.319 159 K HA 0.407 4.727 4.320 0.000 0.000 0.265 159 K C 0.667 177.300 176.600 0.054 0.000 1.000 159 K CA -0.412 55.900 56.287 0.042 0.000 0.943 159 K CB 0.674 33.191 32.500 0.027 0.000 0.950 159 K HN 0.382 nan 8.250 nan 0.000 0.485 160 I N 1.894 122.487 120.570 0.039 0.000 2.460 160 I HA 0.239 4.409 4.170 0.000 0.000 0.298 160 I C 0.192 176.328 176.117 0.032 0.000 0.989 160 I CA -0.506 60.823 61.300 0.048 0.000 1.173 160 I CB 1.556 39.574 38.000 0.030 0.000 1.338 160 I HN 0.455 nan 8.210 nan 0.000 0.456 161 E N 3.169 123.391 120.200 0.037 0.000 2.176 161 E HA 0.583 4.933 4.350 0.000 0.000 0.267 161 E C -0.744 175.870 176.600 0.024 0.000 0.893 161 E CA -0.696 55.718 56.400 0.024 0.000 0.761 161 E CB 2.307 32.020 29.700 0.022 0.000 1.133 161 E HN 0.710 nan 8.360 nan 0.000 0.409 162 A N 2.640 125.468 122.820 0.014 0.000 2.328 162 A HA 0.300 4.620 4.320 0.000 0.000 0.284 162 A C 0.728 178.315 177.584 0.005 0.000 1.160 162 A CA -0.425 51.617 52.037 0.009 0.000 0.818 162 A CB 0.718 19.717 19.000 -0.000 0.000 1.087 162 A HN 0.562 nan 8.150 nan 0.000 0.504 163 V N 1.329 121.246 119.914 0.005 0.000 2.806 163 V HA 0.297 4.417 4.120 0.000 0.000 0.239 163 V C 0.149 176.238 176.094 -0.009 0.000 1.113 163 V CA 0.749 63.049 62.300 -0.000 0.000 1.137 163 V CB -0.130 31.695 31.823 0.003 0.000 0.865 163 V HN 0.728 nan 8.190 nan 0.000 0.482 164 N N 1.268 119.959 118.700 -0.015 0.000 2.242 164 N HA 0.385 5.125 4.740 0.000 0.000 0.292 164 N C -1.460 174.025 175.510 -0.040 0.000 1.125 164 N CA -0.549 52.483 53.050 -0.029 0.000 0.783 164 N CB 2.119 40.586 38.487 -0.034 0.000 1.558 164 N HN 0.647 nan 8.380 nan 0.000 0.472 165 K N 0.932 121.299 120.400 -0.054 0.000 2.185 165 K HA 0.387 4.708 4.320 0.000 0.000 0.271 165 K C 0.235 176.766 176.600 -0.116 0.000 1.013 165 K CA -0.585 55.662 56.287 -0.068 0.000 0.943 165 K CB 0.953 33.416 32.500 -0.062 0.000 0.998 165 K HN 0.361 nan 8.250 nan 0.000 0.468 166 L N 2.002 123.136 121.223 -0.148 0.000 2.516 166 L HA -0.038 4.302 4.340 0.000 0.000 0.288 166 L C 0.183 176.817 176.870 -0.393 0.000 1.246 166 L CA 0.350 55.024 54.840 -0.276 0.000 0.844 166 L CB -0.309 41.525 42.059 -0.376 0.000 1.106 166 L HN 0.764 nan 8.230 nan 0.000 0.509 167 N N 0.875 119.303 118.700 -0.452 0.000 2.426 167 N HA 0.302 5.042 4.740 0.000 0.000 0.275 167 N C -0.855 174.198 175.510 -0.761 0.000 1.019 167 N CA -0.535 52.191 53.050 -0.540 0.000 0.941 167 N CB 0.826 39.064 38.487 -0.414 0.000 1.123 167 N HN 0.450 nan 8.380 nan 0.000 0.486 168 H N 1.608 120.351 119.070 -0.544 0.000 2.572 168 H HA 0.151 4.707 4.556 0.000 0.000 0.359 168 H C -0.479 174.484 175.328 -0.610 0.000 1.134 168 H CA -0.371 55.427 56.048 -0.416 0.000 1.187 168 H CB 1.388 31.029 29.762 -0.202 0.000 1.597 168 H HN 0.679 nan 8.280 nan 0.000 0.524 169 Y N -0.061 120.292 120.300 0.087 0.000 2.531 169 Y HA 0.029 4.579 4.550 0.000 0.000 0.249 169 Y C 0.477 176.377 175.900 0.000 0.000 1.168 169 Y CA -0.535 57.583 58.100 0.029 0.000 1.226 169 Y CB 0.848 39.316 38.460 0.014 0.000 1.177 169 Y HN 0.508 nan 8.280 nan 0.000 0.527 170 D N -1.312 119.146 120.400 0.095 0.000 2.256 170 D HA 0.093 4.734 4.640 0.000 0.000 0.246 170 D C -0.278 175.969 176.300 -0.088 0.000 1.042 170 D CA -0.912 53.045 54.000 -0.072 0.000 0.841 170 D CB 0.925 41.724 40.800 -0.002 0.000 1.223 170 D HN 0.284 nan 8.370 nan 0.000 0.470 171 Y N 0.103 120.445 120.300 0.069 0.000 3.001 171 Y HA -0.314 4.236 4.550 0.000 0.000 0.207 171 Y C 1.892 177.758 175.900 -0.057 0.000 1.231 171 Y CA 0.495 58.597 58.100 0.003 0.000 1.024 171 Y CB -1.873 36.578 38.460 -0.014 0.000 1.267 171 Y HN 0.422 nan 8.280 nan 0.000 0.501 172 V N -1.813 118.106 119.914 0.010 0.000 2.392 172 V HA -0.318 3.802 4.120 0.000 0.000 0.249 172 V C 2.155 178.172 176.094 -0.128 0.000 1.059 172 V CA 1.996 64.261 62.300 -0.059 0.000 1.051 172 V CB -0.702 31.083 31.823 -0.064 0.000 0.658 172 V HN 0.616 nan 8.190 nan 0.000 0.455 173 A N 0.000 122.764 122.820 -0.093 0.000 2.121 173 A HA 0.146 4.466 4.320 0.000 0.000 0.218 173 A C 2.124 179.557 177.584 -0.251 0.000 1.154 173 A CA 1.802 53.738 52.037 -0.169 0.000 0.679 173 A CB -0.555 18.406 19.000 -0.065 0.000 0.795 173 A HN 0.658 nan 8.150 nan 0.000 0.458 174 L N -1.244 119.902 121.223 -0.129 0.000 2.616 174 L HA 0.144 4.484 4.340 0.000 0.000 0.229 174 L C 0.469 177.279 176.870 -0.101 0.000 1.110 174 L CA -0.171 54.628 54.840 -0.067 0.000 0.884 174 L CB 0.050 42.108 42.059 -0.003 0.000 1.115 174 L HN 0.190 nan 8.230 nan 0.000 0.481 175 R N 0.493 120.864 120.500 -0.216 0.000 2.220 175 R HA 0.317 4.657 4.340 0.000 0.000 0.340 175 R C -1.419 174.718 176.300 -0.272 0.000 1.076 175 R CA -0.209 55.791 56.100 -0.166 0.000 0.920 175 R CB 0.274 30.485 30.300 -0.148 0.000 1.062 175 R HN -0.041 nan 8.270 nan 0.000 0.469 176 Y N 0.669 120.943 120.300 -0.043 0.000 2.377 176 Y HA 0.183 4.733 4.550 0.000 0.000 0.339 176 Y C 1.151 177.070 175.900 0.031 0.000 1.011 176 Y CA -0.672 57.405 58.100 -0.040 0.000 1.093 176 Y CB 1.899 40.309 38.460 -0.082 0.000 1.201 176 Y HN 0.496 nan 8.280 nan 0.000 0.455 177 T N -0.460 114.174 114.554 0.135 0.000 2.874 177 T HA 0.257 4.607 4.350 0.000 0.000 0.281 177 T C -2.157 172.529 174.700 -0.023 0.000 0.994 177 T CA -2.071 60.057 62.100 0.047 0.000 1.015 177 T CB 1.560 70.419 68.868 -0.015 0.000 1.028 177 T HN 0.297 nan 8.240 nan 0.000 0.523 178 P HA 0.021 nan 4.420 nan 0.000 0.218 178 P C 1.646 178.872 177.300 -0.124 0.000 1.149 178 P CA 1.265 64.153 63.100 -0.354 0.000 0.817 178 P CB -0.294 31.080 31.700 -0.543 0.000 0.785 179 A N 0.164 122.933 122.820 -0.085 0.000 1.883 179 A HA -0.255 4.066 4.320 0.000 0.000 0.217 179 A C 2.131 179.700 177.584 -0.025 0.000 1.186 179 A CA 1.849 53.861 52.037 -0.042 0.000 0.624 179 A CB -1.307 17.673 19.000 -0.033 0.000 0.822 179 A HN 0.174 nan 8.150 nan 0.000 0.444 180 E N -0.772 119.425 120.200 -0.004 0.000 2.077 180 E HA -0.174 4.177 4.350 0.000 0.000 0.193 180 E C 1.856 178.453 176.600 -0.005 0.000 0.989 180 E CA 1.070 57.492 56.400 0.038 0.000 0.800 180 E CB -0.207 29.552 29.700 0.097 0.000 0.746 180 E HN 0.392 nan 8.360 nan 0.000 0.452 181 L N 0.912 122.076 121.223 -0.099 0.000 2.093 181 L HA -0.112 4.229 4.340 0.000 0.000 0.208 181 L C 2.100 178.658 176.870 -0.520 0.000 1.085 181 L CA 1.591 56.130 54.840 -0.501 0.000 0.755 181 L CB -0.432 41.380 42.059 -0.413 0.000 0.904 181 L HN -0.011 nan 8.230 nan 0.000 0.435 182 R N -1.789 118.633 120.500 -0.129 0.000 2.092 182 R HA -0.094 4.246 4.340 0.000 0.000 0.231 182 R C 2.181 178.490 176.300 0.015 0.000 1.119 182 R CA 1.164 57.295 56.100 0.051 0.000 0.970 182 R CB -0.266 30.071 30.300 0.061 0.000 0.864 182 R HN 0.192 nan 8.270 nan 0.000 0.440 183 V N -0.171 119.724 119.914 -0.031 0.000 2.427 183 V HA -0.240 3.880 4.120 0.000 0.000 0.248 183 V C 2.008 178.060 176.094 -0.070 0.000 1.051 183 V CA 2.007 64.291 62.300 -0.027 0.000 1.048 183 V CB -0.494 31.320 31.823 -0.016 0.000 0.666 183 V HN 0.371 nan 8.190 nan 0.000 0.456 184 H N -0.169 118.754 119.070 -0.245 0.000 2.270 184 H HA -0.167 4.390 4.556 0.000 0.000 0.299 184 H C 2.083 177.208 175.328 -0.338 0.000 1.077 184 H CA 2.309 58.149 56.048 -0.347 0.000 1.294 184 H CB -0.411 29.028 29.762 -0.539 0.000 1.371 184 H HN 0.397 nan 8.280 nan 0.000 0.491 185 F N -0.042 119.833 119.950 -0.125 0.000 2.120 185 F HA -0.261 4.267 4.527 0.000 0.000 0.300 185 F C 2.457 178.206 175.800 -0.084 0.000 1.095 185 F CA 1.187 59.122 58.000 -0.109 0.000 1.249 185 F CB -0.195 38.854 39.000 0.082 0.000 0.995 185 F HN 0.351 nan 8.300 nan 0.000 0.480 186 D N 0.275 120.746 120.400 0.119 0.000 2.097 186 D HA -0.153 4.487 4.640 0.000 0.000 0.197 186 D C 2.019 178.307 176.300 -0.020 0.000 0.984 186 D CA 1.398 55.437 54.000 0.065 0.000 0.826 186 D CB -0.032 40.797 40.800 0.048 0.000 0.973 186 D HN 0.062 nan 8.370 nan 0.000 0.460 187 K N -0.374 119.957 120.400 -0.114 0.000 2.032 187 K HA -0.055 4.265 4.320 0.000 0.000 0.209 187 K C 1.886 178.397 176.600 -0.148 0.000 1.048 187 K CA 0.957 57.160 56.287 -0.140 0.000 0.927 187 K CB -0.151 32.227 32.500 -0.202 0.000 0.712 187 K HN 0.252 nan 8.250 nan 0.000 0.441 188 L N 0.174 121.238 121.223 -0.266 0.000 2.650 188 L HA 0.085 4.425 4.340 0.000 0.000 0.235 188 L C 0.991 177.920 176.870 0.097 0.000 1.149 188 L CA 0.308 55.024 54.840 -0.208 0.000 0.887 188 L CB -0.611 41.058 42.059 -0.650 0.000 1.021 188 L HN 0.437 nan 8.230 nan 0.000 0.441 189 G N -0.986 107.873 108.800 0.098 0.000 2.203 189 G HA2 -0.270 3.690 3.960 0.000 0.000 0.263 189 G HA3 -0.270 3.690 3.960 0.000 0.000 0.263 189 G C -0.235 174.856 174.900 0.319 0.000 1.012 189 G CA -0.283 44.921 45.100 0.173 0.000 0.749 189 G HN 0.293 nan 8.290 nan 0.000 0.512 190 W N 0.759 122.076 121.300 0.028 0.000 2.303 190 W HA 0.534 5.194 4.660 0.000 0.000 0.318 190 W C 1.274 177.774 176.519 -0.032 0.000 1.362 190 W CA -0.308 57.040 57.345 0.004 0.000 1.234 190 W CB 0.836 30.330 29.460 0.056 0.000 1.248 190 W HN 0.430 nan 8.180 nan 0.000 0.546 191 S N 1.985 117.726 115.700 0.069 0.000 2.733 191 S HA 0.344 4.815 4.470 0.000 0.000 0.247 191 S C 0.144 174.718 174.600 -0.043 0.000 1.043 191 S CA -0.613 57.600 58.200 0.022 0.000 1.066 191 S CB 0.342 63.558 63.200 0.027 0.000 1.045 191 S HN 0.465 nan 8.310 nan 0.000 0.586 192 R N 1.049 121.474 120.500 -0.125 0.000 2.518 192 R HA 0.637 4.978 4.340 0.000 0.000 0.296 192 R C -1.905 174.236 176.300 -0.264 0.000 1.080 192 R CA -0.493 55.524 56.100 -0.138 0.000 0.922 192 R CB 2.081 32.292 30.300 -0.149 0.000 1.184 192 R HN 0.089 nan 8.270 nan 0.000 0.445 193 V N 3.051 122.834 119.914 -0.218 0.000 2.444 193 V HA 0.349 4.469 4.120 0.000 0.000 0.294 193 V C -0.018 176.015 176.094 -0.102 0.000 1.022 193 V CA -0.982 61.158 62.300 -0.266 0.000 0.850 193 V CB 2.123 33.662 31.823 -0.473 0.000 0.992 193 V HN 0.459 nan 8.190 nan 0.000 0.426 194 V N 4.374 124.227 119.914 -0.102 0.000 2.364 194 V HA 0.646 4.766 4.120 0.000 0.000 0.272 194 V C 0.734 176.883 176.094 0.092 0.000 1.036 194 V CA -0.272 62.043 62.300 0.026 0.000 0.880 194 V CB 1.346 33.147 31.823 -0.036 0.000 0.991 194 V HN 1.010 nan 8.190 nan 0.000 0.460 195 A N 5.497 128.437 122.820 0.200 0.000 2.327 195 A HA 0.746 5.066 4.320 0.000 0.000 0.283 195 A C -0.912 176.880 177.584 0.346 0.000 1.127 195 A CA -0.226 51.971 52.037 0.265 0.000 0.810 195 A CB 0.446 19.650 19.000 0.341 0.000 1.066 195 A HN 0.698 nan 8.150 nan 0.000 0.492 196 F N 1.651 121.662 119.950 0.102 0.000 2.493 196 F HA 0.558 5.085 4.527 0.000 0.000 0.329 196 F C -0.126 175.721 175.800 0.078 0.000 1.126 196 F CA -0.799 57.227 58.000 0.044 0.000 0.937 196 F CB 2.022 41.018 39.000 -0.007 0.000 1.146 196 F HN 0.685 nan 8.300 nan 0.000 0.442 197 Q N 4.087 123.589 119.800 -0.497 0.000 2.235 197 Q HA 0.724 5.064 4.340 0.000 0.000 0.256 197 Q C -1.110 174.374 176.000 -0.861 0.000 0.951 197 Q CA -0.126 55.426 55.803 -0.418 0.000 0.890 197 Q CB 1.955 30.746 28.738 0.089 0.000 1.279 197 Q HN 0.837 nan 8.270 nan 0.000 0.444 198 T N 1.349 115.563 114.554 -0.566 0.000 2.886 198 T HA 0.386 4.736 4.350 0.000 0.000 0.341 198 T C -1.201 173.350 174.700 -0.248 0.000 1.839 198 T CA -0.225 61.605 62.100 -0.450 0.000 1.052 198 T CB 0.462 69.005 68.868 -0.541 0.000 1.715 198 T HN 0.850 nan 8.240 nan 0.000 0.504 199 R N 1.377 121.800 120.500 -0.127 0.000 2.541 199 R HA 0.365 4.705 4.340 0.000 0.000 0.332 199 R C -0.078 176.229 176.300 0.013 0.000 0.951 199 R CA -0.630 55.442 56.100 -0.046 0.000 1.136 199 R CB 0.183 30.458 30.300 -0.042 0.000 1.449 199 R HN 0.382 nan 8.270 nan 0.000 0.531 200 N N 1.751 120.449 118.700 -0.003 0.000 2.502 200 N HA 0.251 4.991 4.740 0.000 0.000 0.280 200 N C -2.084 173.401 175.510 -0.043 0.000 1.223 200 N CA -1.805 51.234 53.050 -0.018 0.000 0.966 200 N CB 1.177 39.647 38.487 -0.028 0.000 1.203 200 N HN -0.301 nan 8.380 nan 0.000 0.565 201 P HA -0.151 nan 4.420 nan 0.000 0.218 201 P C -0.212 176.825 177.300 -0.438 0.000 1.165 201 P CA 1.600 64.492 63.100 -0.346 0.000 0.922 201 P CB 0.169 31.668 31.700 -0.334 0.000 0.794 202 M N -2.312 116.882 119.600 -0.677 0.000 4.041 202 M HA -0.130 4.350 4.480 0.000 0.000 0.157 202 M C -0.508 175.642 176.300 -0.250 0.000 1.531 202 M CA 0.359 55.338 55.300 -0.535 0.000 1.095 202 M CB -1.137 31.456 32.600 -0.012 0.000 1.346 202 M HN 0.261 nan 8.290 nan 0.000 0.198 203 H N 0.861 120.218 119.070 0.477 0.000 2.915 203 H HA 0.444 5.001 4.556 0.000 0.000 0.298 203 H C 0.828 176.139 175.328 -0.028 0.000 1.516 203 H CA -0.758 55.329 56.048 0.065 0.000 1.480 203 H CB 0.475 30.033 29.762 -0.339 0.000 1.847 203 H HN 0.561 nan 8.280 nan 0.000 0.806 204 R N 0.910 121.364 120.500 -0.077 0.000 2.139 204 R HA -0.116 4.224 4.340 0.000 0.000 0.243 204 R C 1.836 177.956 176.300 -0.300 0.000 1.145 204 R CA 1.822 57.794 56.100 -0.213 0.000 0.976 204 R CB -0.872 29.108 30.300 -0.533 0.000 0.866 204 R HN 0.628 nan 8.270 nan 0.000 0.449 205 A N -0.291 122.290 122.820 -0.399 0.000 1.851 205 A HA -0.201 4.119 4.320 0.000 0.000 0.216 205 A C 1.957 179.279 177.584 -0.436 0.000 1.195 205 A CA 1.931 53.714 52.037 -0.424 0.000 0.622 205 A CB -0.983 17.700 19.000 -0.529 0.000 0.831 205 A HN 0.651 nan 8.150 nan 0.000 0.444 206 H N -1.096 117.829 119.070 -0.242 0.000 2.290 206 H HA -0.113 4.443 4.556 0.000 0.000 0.298 206 H C 2.260 177.384 175.328 -0.340 0.000 1.087 206 H CA 1.582 57.446 56.048 -0.307 0.000 1.291 206 H CB -0.156 29.486 29.762 -0.201 0.000 1.369 206 H HN 0.302 nan 8.280 nan 0.000 0.492 207 R N 1.223 121.654 120.500 -0.115 0.000 2.154 207 R HA -0.187 4.153 4.340 0.000 0.000 0.248 207 R C 1.244 177.339 176.300 -0.342 0.000 1.155 207 R CA 1.716 57.662 56.100 -0.256 0.000 0.979 207 R CB -0.098 30.093 30.300 -0.183 0.000 0.869 207 R HN 0.479 nan 8.270 nan 0.000 0.452 208 E N 0.523 120.513 120.200 -0.349 0.000 2.086 208 E HA -0.115 4.235 4.350 0.000 0.000 0.190 208 E C 2.012 178.438 176.600 -0.290 0.000 0.975 208 E CA 0.473 56.649 56.400 -0.373 0.000 0.813 208 E CB -0.669 28.689 29.700 -0.570 0.000 0.768 208 E HN 0.222 nan 8.360 nan 0.000 0.457 209 L N 2.024 123.057 121.223 -0.316 0.000 1.991 209 L HA -0.272 4.068 4.340 0.000 0.000 0.221 209 L C 2.384 179.094 176.870 -0.267 0.000 1.079 209 L CA 3.209 57.860 54.840 -0.315 0.000 0.778 209 L CB -1.531 40.246 42.059 -0.470 0.000 0.893 209 L HN 0.278 nan 8.230 nan 0.000 0.437 210 T N -3.052 111.311 114.554 -0.319 0.000 2.622 210 T HA -0.198 4.152 4.350 0.000 0.000 0.266 210 T C 1.871 176.506 174.700 -0.108 0.000 1.047 210 T CA 2.048 64.016 62.100 -0.221 0.000 1.159 210 T CB -1.430 67.329 68.868 -0.183 0.000 0.863 210 T HN 0.201 nan 8.240 nan 0.000 0.422 211 V N 2.423 122.272 119.914 -0.108 0.000 2.287 211 V HA -0.200 3.920 4.120 0.000 0.000 0.248 211 V C 3.159 179.198 176.094 -0.092 0.000 1.053 211 V CA 1.915 64.163 62.300 -0.085 0.000 1.027 211 V CB -0.744 30.995 31.823 -0.140 0.000 0.646 211 V HN 0.443 nan 8.190 nan 0.000 0.447 212 R N 0.590 121.024 120.500 -0.109 0.000 2.094 212 R HA -0.161 4.179 4.340 0.000 0.000 0.239 212 R C 2.436 178.699 176.300 -0.061 0.000 1.137 212 R CA 1.794 57.848 56.100 -0.076 0.000 0.943 212 R CB -1.376 28.881 30.300 -0.071 0.000 0.850 212 R HN 0.544 nan 8.270 nan 0.000 0.433 213 A N 1.254 124.034 122.820 -0.067 0.000 1.908 213 A HA -0.076 4.245 4.320 0.000 0.000 0.218 213 A C 2.424 179.962 177.584 -0.076 0.000 1.181 213 A CA 2.023 54.031 52.037 -0.048 0.000 0.627 213 A CB -0.532 18.445 19.000 -0.038 0.000 0.818 213 A HN 0.400 nan 8.150 nan 0.000 0.445 214 A N -0.741 122.021 122.820 -0.097 0.000 1.874 214 A HA -0.022 4.299 4.320 0.000 0.000 0.214 214 A C 2.196 179.694 177.584 -0.144 0.000 1.189 214 A CA 1.201 53.153 52.037 -0.141 0.000 0.615 214 A CB -0.411 18.508 19.000 -0.135 0.000 0.830 214 A HN 0.470 nan 8.150 nan 0.000 0.443 215 R N 0.433 120.870 120.500 -0.105 0.000 2.193 215 R HA -0.120 4.220 4.340 0.000 0.000 0.229 215 R C 2.454 178.705 176.300 -0.081 0.000 1.110 215 R CA 1.525 57.570 56.100 -0.092 0.000 0.988 215 R CB -0.205 30.055 30.300 -0.067 0.000 0.871 215 R HN 0.756 nan 8.270 nan 0.000 0.458 216 S N 0.167 115.822 115.700 -0.074 0.000 2.362 216 S HA -0.011 4.459 4.470 0.000 0.000 0.221 216 S C 1.574 176.132 174.600 -0.070 0.000 1.032 216 S CA 0.361 58.528 58.200 -0.055 0.000 0.973 216 S CB 0.026 63.206 63.200 -0.034 0.000 0.849 216 S HN 0.124 nan 8.310 nan 0.000 0.465 217 R N 1.461 121.894 120.500 -0.112 0.000 2.340 217 R HA 0.238 4.578 4.340 0.000 0.000 0.215 217 R C 0.110 176.301 176.300 -0.181 0.000 1.017 217 R CA 0.007 56.013 56.100 -0.157 0.000 1.111 217 R CB -1.190 28.915 30.300 -0.325 0.000 1.049 217 R HN 0.489 nan 8.270 nan 0.000 0.490 218 Q N -0.504 119.212 119.800 -0.140 0.000 2.431 218 Q HA -0.212 4.128 4.340 0.000 0.000 0.344 218 Q C -0.905 174.977 176.000 -0.197 0.000 1.384 218 Q CA 1.119 56.841 55.803 -0.136 0.000 0.984 218 Q CB -1.171 27.512 28.738 -0.093 0.000 1.204 218 Q HN 0.466 nan 8.270 nan 0.000 0.392 219 A N 0.640 123.309 122.820 -0.252 0.000 2.566 219 A HA 0.717 5.037 4.320 0.000 0.000 0.292 219 A C -0.014 177.344 177.584 -0.377 0.000 1.112 219 A CA -0.772 51.065 52.037 -0.334 0.000 0.707 219 A CB 1.047 19.800 19.000 -0.410 0.000 1.302 219 A HN 0.300 nan 8.150 nan 0.000 0.409 220 N N -0.822 117.552 118.700 -0.544 0.000 2.364 220 N HA 0.503 5.243 4.740 0.000 0.000 0.264 220 N C -0.944 174.332 175.510 -0.390 0.000 1.263 220 N CA 0.004 52.637 53.050 -0.695 0.000 0.959 220 N CB 1.184 38.685 38.487 -1.644 0.000 1.204 220 N HN 0.356 nan 8.380 nan 0.000 0.550 221 V N 1.484 121.242 119.914 -0.261 0.000 2.588 221 V HA 0.295 4.415 4.120 0.000 0.000 0.304 221 V C -0.666 175.458 176.094 0.049 0.000 1.042 221 V CA -0.760 61.494 62.300 -0.077 0.000 0.877 221 V CB 1.864 33.649 31.823 -0.063 0.000 0.996 221 V HN 0.388 nan 8.190 nan 0.000 0.425 222 L N 6.777 128.038 121.223 0.063 0.000 2.295 222 L HA 0.621 4.961 4.340 0.000 0.000 0.281 222 L C -0.441 176.455 176.870 0.044 0.000 1.018 222 L CA 0.159 55.044 54.840 0.075 0.000 0.841 222 L CB 0.886 42.993 42.059 0.079 0.000 1.218 222 L HN 0.565 nan 8.230 nan 0.000 0.424 223 I N 5.114 125.670 120.570 -0.023 0.000 2.308 223 I HA 0.156 4.326 4.170 0.000 0.000 0.293 223 I C 0.152 176.253 176.117 -0.027 0.000 1.078 223 I CA 0.153 61.445 61.300 -0.012 0.000 1.292 223 I CB 0.025 37.947 38.000 -0.130 0.000 1.423 223 I HN 0.604 nan 8.210 nan 0.000 0.493 224 H N 7.691 126.671 119.070 -0.150 0.000 2.328 224 H HA 0.305 4.861 4.556 0.000 0.000 0.230 224 H C -2.347 172.791 175.328 -0.318 0.000 1.481 224 H CA -2.086 53.829 56.048 -0.221 0.000 1.306 224 H CB 0.707 30.361 29.762 -0.181 0.000 1.531 224 H HN 0.381 nan 8.280 nan 0.000 0.533 225 P HA 0.030 nan 4.420 nan 0.000 0.276 225 P C -0.037 177.037 177.300 -0.376 0.000 1.252 225 P CA -0.329 62.500 63.100 -0.451 0.000 0.802 225 P CB 2.343 33.606 31.700 -0.729 0.000 1.035 226 V N 1.759 121.493 119.914 -0.300 0.000 2.567 226 V HA 0.346 4.466 4.120 0.000 0.000 0.289 226 V C 0.616 176.637 176.094 -0.122 0.000 1.049 226 V CA -0.176 61.978 62.300 -0.243 0.000 0.969 226 V CB 1.354 33.043 31.823 -0.224 0.000 0.995 226 V HN 0.490 nan 8.190 nan 0.000 0.471 227 V N 1.857 121.704 119.914 -0.111 0.000 3.049 227 V HA 1.019 5.140 4.120 0.000 0.000 0.309 227 V C 0.106 176.157 176.094 -0.070 0.000 1.148 227 V CA -0.089 62.186 62.300 -0.041 0.000 0.990 227 V CB 1.405 33.239 31.823 0.018 0.000 1.039 227 V HN 0.871 nan 8.190 nan 0.000 0.430 228 G N 1.447 110.211 108.800 -0.061 0.000 2.849 228 G HA2 0.612 4.572 3.960 0.000 0.000 0.174 228 G HA3 0.612 4.572 3.960 0.000 0.000 0.174 228 G C -0.513 174.354 174.900 -0.055 0.000 1.370 228 G CA -1.184 43.897 45.100 -0.032 0.000 1.040 228 G HN 0.817 nan 8.290 nan 0.000 0.582 229 L N 1.258 122.486 121.223 0.008 0.000 2.319 229 L HA 0.239 4.579 4.340 0.000 0.000 0.280 229 L C 0.396 177.227 176.870 -0.066 0.000 1.099 229 L CA -0.408 54.446 54.840 0.024 0.000 0.828 229 L CB 1.076 43.192 42.059 0.095 0.000 1.150 229 L HN 0.319 nan 8.230 nan 0.000 0.442 230 T N 4.021 118.484 114.554 -0.150 0.000 2.871 230 T HA 0.022 4.373 4.350 0.000 0.000 0.296 230 T C 0.273 174.943 174.700 -0.049 0.000 0.998 230 T CA -0.194 61.743 62.100 -0.272 0.000 1.162 230 T CB -0.046 68.681 68.868 -0.235 0.000 0.947 230 T HN 0.318 nan 8.240 nan 0.000 0.536 231 K N 5.606 125.996 120.400 -0.017 0.000 2.276 231 K HA 0.151 4.471 4.320 0.000 0.000 0.285 231 K C -1.778 174.924 176.600 0.170 0.000 1.062 231 K CA -1.983 54.361 56.287 0.095 0.000 0.918 231 K CB 1.092 33.652 32.500 0.101 0.000 1.055 231 K HN 0.281 nan 8.250 nan 0.000 0.477 232 P HA -0.227 nan 4.420 nan 0.000 0.219 232 P C 0.848 178.305 177.300 0.261 0.000 1.161 232 P CA 1.476 64.707 63.100 0.218 0.000 0.909 232 P CB 0.223 31.998 31.700 0.125 0.000 0.793 233 G N -1.420 107.495 108.800 0.191 0.000 3.959 233 G HA2 0.073 4.033 3.960 0.000 0.000 0.298 233 G HA3 0.073 4.033 3.960 0.000 0.000 0.298 233 G C -0.677 174.344 174.900 0.202 0.000 1.211 233 G CA -0.044 45.147 45.100 0.153 0.000 1.001 233 G HN 0.133 nan 8.290 nan 0.000 0.561 234 D N 1.294 121.888 120.400 0.324 0.000 2.468 234 D HA 0.132 4.772 4.640 0.000 0.000 0.218 234 D C 1.544 178.103 176.300 0.432 0.000 1.155 234 D CA -0.790 53.378 54.000 0.280 0.000 0.924 234 D CB 0.255 41.175 40.800 0.200 0.000 1.029 234 D HN -0.042 nan 8.370 nan 0.000 0.515 235 I N 2.245 123.009 120.570 0.324 0.000 2.454 235 I HA -0.174 3.997 4.170 0.000 0.000 0.254 235 I C 1.410 177.706 176.117 0.298 0.000 1.156 235 I CA 0.686 62.198 61.300 0.352 0.000 1.433 235 I CB -0.631 37.464 38.000 0.158 0.000 1.082 235 I HN 0.370 nan 8.210 nan 0.000 0.432 236 D N -0.110 120.408 120.400 0.196 0.000 2.149 236 D HA -0.239 4.402 4.640 0.000 0.000 0.198 236 D C 2.104 178.464 176.300 0.100 0.000 0.990 236 D CA 1.410 55.481 54.000 0.118 0.000 0.839 236 D CB -0.268 40.584 40.800 0.087 0.000 0.948 236 D HN 0.468 nan 8.370 nan 0.000 0.460 237 H N -0.241 118.843 119.070 0.023 0.000 2.293 237 H HA -0.110 4.446 4.556 0.000 0.000 0.300 237 H C 1.867 177.113 175.328 -0.137 0.000 1.082 237 H CA 1.613 57.587 56.048 -0.123 0.000 1.308 237 H CB -0.598 28.994 29.762 -0.284 0.000 1.375 237 H HN 0.062 nan 8.280 nan 0.000 0.495 238 F N -0.138 119.819 119.950 0.013 0.000 2.171 238 F HA -0.147 4.380 4.527 0.000 0.000 0.300 238 F C 2.782 178.549 175.800 -0.055 0.000 1.090 238 F CA 1.543 59.552 58.000 0.016 0.000 1.293 238 F CB -0.802 38.275 39.000 0.128 0.000 1.013 238 F HN 0.181 nan 8.300 nan 0.000 0.486 239 T N -0.504 114.119 114.554 0.115 0.000 2.857 239 T HA -0.126 4.224 4.350 0.000 0.000 0.266 239 T C 2.232 176.851 174.700 -0.135 0.000 1.048 239 T CA 0.816 62.923 62.100 0.011 0.000 1.139 239 T CB -0.147 68.741 68.868 0.033 0.000 0.874 239 T HN 0.112 nan 8.240 nan 0.000 0.455 240 R N 0.565 120.944 120.500 -0.201 0.000 2.081 240 R HA -0.063 4.277 4.340 0.000 0.000 0.235 240 R C 2.307 178.277 176.300 -0.550 0.000 1.131 240 R CA 1.120 56.999 56.100 -0.368 0.000 0.960 240 R CB -0.578 29.557 30.300 -0.274 0.000 0.856 240 R HN 0.271 nan 8.270 nan 0.000 0.436 241 V N 0.700 120.356 119.914 -0.430 0.000 2.244 241 V HA -0.226 3.895 4.120 0.000 0.000 0.244 241 V C 2.419 178.316 176.094 -0.330 0.000 1.042 241 V CA 1.644 63.695 62.300 -0.415 0.000 1.006 241 V CB -0.510 30.800 31.823 -0.855 0.000 0.641 241 V HN 0.363 nan 8.190 nan 0.000 0.446 242 R N -0.027 120.327 120.500 -0.243 0.000 2.174 242 R HA -0.261 4.080 4.340 0.000 0.000 0.253 242 R C 2.314 178.545 176.300 -0.115 0.000 1.165 242 R CA 1.645 57.680 56.100 -0.108 0.000 0.984 242 R CB -0.611 29.681 30.300 -0.013 0.000 0.873 242 R HN 0.584 nan 8.270 nan 0.000 0.456 243 A N 0.173 122.873 122.820 -0.200 0.000 1.873 243 A HA -0.157 4.164 4.320 0.000 0.000 0.215 243 A C 1.864 179.352 177.584 -0.161 0.000 1.186 243 A CA 1.057 52.972 52.037 -0.203 0.000 0.616 243 A CB -0.700 18.113 19.000 -0.312 0.000 0.823 243 A HN 0.359 nan 8.150 nan 0.000 0.442 244 Y N -0.101 120.129 120.300 -0.116 0.000 2.114 244 Y HA -0.291 4.259 4.550 0.000 0.000 0.284 244 Y C 2.908 178.751 175.900 -0.094 0.000 1.143 244 Y CA 1.539 59.575 58.100 -0.108 0.000 1.135 244 Y CB -0.426 37.947 38.460 -0.146 0.000 0.980 244 Y HN 0.350 nan 8.280 nan 0.000 0.499 245 Q N -0.035 119.790 119.800 0.041 0.000 2.133 245 Q HA -0.298 4.042 4.340 0.000 0.000 0.208 245 Q C 2.537 178.542 176.000 0.009 0.000 0.991 245 Q CA 1.614 57.417 55.803 0.000 0.000 0.867 245 Q CB -0.414 28.305 28.738 -0.031 0.000 0.911 245 Q HN 0.576 nan 8.270 nan 0.000 0.417 246 A N 0.639 123.459 122.820 -0.001 0.000 1.930 246 A HA -0.136 4.184 4.320 0.000 0.000 0.217 246 A C 1.976 179.553 177.584 -0.012 0.000 1.175 246 A CA 1.020 53.054 52.037 -0.004 0.000 0.627 246 A CB -0.475 18.520 19.000 -0.008 0.000 0.815 246 A HN 0.368 nan 8.150 nan 0.000 0.443 247 L N -0.500 120.728 121.223 0.008 0.000 2.456 247 L HA 0.023 4.363 4.340 0.000 0.000 0.224 247 L C 1.936 178.840 176.870 0.056 0.000 1.148 247 L CA 0.853 55.685 54.840 -0.014 0.000 0.825 247 L CB -0.253 41.854 42.059 0.079 0.000 0.937 247 L HN 0.389 nan 8.230 nan 0.000 0.450 248 L N 0.089 121.353 121.223 0.068 0.000 2.017 248 L HA -0.126 4.214 4.340 0.000 0.000 0.208 248 L C -0.166 176.772 176.870 0.113 0.000 1.073 248 L CA 1.578 56.474 54.840 0.093 0.000 0.745 248 L CB -1.466 40.602 42.059 0.015 0.000 0.894 248 L HN 0.301 nan 8.230 nan 0.000 0.432 249 P HA -0.103 nan 4.420 nan 0.000 0.226 249 P C 0.620 177.901 177.300 -0.033 0.000 1.153 249 P CA 0.793 63.902 63.100 0.014 0.000 0.777 249 P CB -0.002 31.695 31.700 -0.004 0.000 0.794 250 R N -1.154 119.248 120.500 -0.163 0.000 2.391 250 R HA 0.116 4.457 4.340 0.000 0.000 0.225 250 R C -0.300 175.800 176.300 -0.335 0.000 1.079 250 R CA 0.030 55.900 56.100 -0.383 0.000 1.147 250 R CB -1.239 28.394 30.300 -1.111 0.000 1.103 250 R HN 0.349 nan 8.270 nan 0.000 0.499 251 Y N 0.411 120.634 120.300 -0.129 0.000 2.376 251 Y HA 0.310 4.861 4.550 0.000 0.000 0.340 251 Y C -1.842 174.039 175.900 -0.032 0.000 0.965 251 Y CA -2.775 55.281 58.100 -0.073 0.000 1.078 251 Y CB 1.638 40.066 38.460 -0.053 0.000 1.193 251 Y HN -0.052 nan 8.280 nan 0.000 0.452 252 P HA -0.202 nan 4.420 nan 0.000 0.257 252 P C -0.167 177.193 177.300 0.100 0.000 1.162 252 P CA 0.480 63.622 63.100 0.071 0.000 0.762 252 P CB 0.336 32.065 31.700 0.049 0.000 0.753 253 N N 3.185 121.932 118.700 0.079 0.000 2.223 253 N HA -0.118 4.622 4.740 0.000 0.000 0.271 253 N C 1.379 176.955 175.510 0.111 0.000 1.315 253 N CA 1.822 54.924 53.050 0.087 0.000 0.835 253 N CB -0.093 38.434 38.487 0.065 0.000 1.066 253 N HN 0.751 nan 8.380 nan 0.000 0.486 254 G N 3.781 112.667 108.800 0.143 0.000 2.179 254 G HA2 -0.300 3.660 3.960 0.000 0.000 0.260 254 G HA3 -0.300 3.660 3.960 0.000 0.000 0.260 254 G C 0.834 175.927 174.900 0.322 0.000 0.977 254 G CA 0.549 45.779 45.100 0.216 0.000 0.641 254 G HN 0.637 nan 8.290 nan 0.000 0.533 255 M N 0.275 119.996 119.600 0.202 0.000 2.388 255 M HA 0.527 5.007 4.480 0.000 0.000 0.265 255 M C 1.154 177.523 176.300 0.114 0.000 1.088 255 M CA 1.706 57.062 55.300 0.093 0.000 1.134 255 M CB 0.025 32.665 32.600 0.066 0.000 1.384 255 M HN 0.793 nan 8.290 nan 0.000 0.447 256 A N 0.060 123.000 122.820 0.199 0.000 2.469 256 A HA 0.705 5.026 4.320 0.000 0.000 0.299 256 A C -1.127 176.555 177.584 0.163 0.000 1.098 256 A CA -0.675 51.428 52.037 0.110 0.000 0.737 256 A CB 1.721 20.477 19.000 -0.406 0.000 1.312 256 A HN 0.083 nan 8.150 nan 0.000 0.414 257 V N 0.881 120.861 119.914 0.110 0.000 2.823 257 V HA 0.595 4.715 4.120 0.000 0.000 0.312 257 V C -1.044 174.979 176.094 -0.119 0.000 1.072 257 V CA -0.582 61.691 62.300 -0.045 0.000 0.937 257 V CB 1.657 33.390 31.823 -0.150 0.000 1.013 257 V HN 0.865 nan 8.190 nan 0.000 0.430 258 L N 3.158 124.305 121.223 -0.127 0.000 2.313 258 L HA 0.968 5.308 4.340 0.000 0.000 0.283 258 L C 0.111 176.961 176.870 -0.033 0.000 1.013 258 L CA 0.251 55.028 54.840 -0.105 0.000 0.816 258 L CB 1.292 43.296 42.059 -0.091 0.000 1.236 258 L HN 0.804 nan 8.230 nan 0.000 0.419 259 G N 5.496 114.290 108.800 -0.010 0.000 2.701 259 G HA2 0.544 4.504 3.960 0.000 0.000 0.300 259 G HA3 0.544 4.504 3.960 0.000 0.000 0.300 259 G C -1.625 173.340 174.900 0.110 0.000 1.410 259 G CA -0.704 44.488 45.100 0.154 0.000 1.014 259 G HN 0.617 nan 8.290 nan 0.000 0.509 260 L N 1.781 123.025 121.223 0.036 0.000 2.292 260 L HA 0.452 4.792 4.340 0.000 0.000 0.284 260 L C -0.289 176.454 176.870 -0.212 0.000 1.065 260 L CA -0.856 53.914 54.840 -0.117 0.000 0.806 260 L CB 1.574 43.572 42.059 -0.102 0.000 1.175 260 L HN 0.356 nan 8.230 nan 0.000 0.431 261 L N 2.982 123.932 121.223 -0.455 0.000 2.272 261 L HA 0.524 4.864 4.340 0.000 0.000 0.289 261 L C 0.508 177.156 176.870 -0.370 0.000 1.032 261 L CA 0.112 54.587 54.840 -0.608 0.000 0.810 261 L CB 1.430 42.815 42.059 -1.122 0.000 1.205 261 L HN 0.550 nan 8.230 nan 0.000 0.422 262 G N 5.902 114.541 108.800 -0.269 0.000 2.915 262 G HA2 0.426 4.386 3.960 0.000 0.000 0.298 262 G HA3 0.426 4.386 3.960 0.000 0.000 0.298 262 G C -0.898 173.912 174.900 -0.149 0.000 0.837 262 G CA -0.201 44.786 45.100 -0.188 0.000 1.752 262 G HN 0.548 nan 8.290 nan 0.000 0.526 263 L N 2.270 123.401 121.223 -0.154 0.000 2.346 263 L HA 0.804 5.144 4.340 0.000 0.000 0.274 263 L C 0.221 177.110 176.870 0.031 0.000 1.007 263 L CA -0.873 53.916 54.840 -0.085 0.000 0.818 263 L CB 2.036 43.962 42.059 -0.222 0.000 1.284 263 L HN 0.309 nan 8.230 nan 0.000 0.424 264 A N 6.563 129.483 122.820 0.167 0.000 2.506 264 A HA 0.501 4.821 4.320 0.000 0.000 0.320 264 A C 0.054 177.786 177.584 0.246 0.000 1.424 264 A CA -0.524 51.613 52.037 0.166 0.000 1.044 264 A CB -0.491 18.617 19.000 0.180 0.000 1.140 264 A HN 0.782 nan 8.150 nan 0.000 0.538 265 M N 1.391 121.096 119.600 0.175 0.000 2.248 265 M HA 0.151 4.631 4.480 0.000 0.000 0.337 265 M C 1.076 177.491 176.300 0.191 0.000 1.121 265 M CA 0.156 55.612 55.300 0.261 0.000 1.155 265 M CB 0.531 33.236 32.600 0.176 0.000 1.514 265 M HN 0.673 nan 8.290 nan 0.000 0.452 266 R N 1.379 122.035 120.500 0.260 0.000 2.237 266 R HA 0.260 4.600 4.340 0.000 0.000 0.195 266 R C -0.020 176.363 176.300 0.139 0.000 0.956 266 R CA 0.423 56.592 56.100 0.115 0.000 1.029 266 R CB 0.303 30.706 30.300 0.173 0.000 0.972 266 R HN 0.737 nan 8.270 nan 0.000 0.493 267 M N -0.555 119.159 119.600 0.190 0.000 2.588 267 M HA -0.111 4.369 4.480 0.000 0.000 0.211 267 M C 0.405 176.908 176.300 0.339 0.000 0.450 267 M CA 0.997 56.390 55.300 0.155 0.000 0.601 267 M CB -2.448 30.155 32.600 0.005 0.000 2.236 267 M HN 0.299 nan 8.290 nan 0.000 0.787 268 G N -0.431 108.591 108.800 0.370 0.000 3.440 268 G HA2 0.461 4.421 3.960 0.000 0.000 0.263 268 G HA3 0.461 4.421 3.960 0.000 0.000 0.263 268 G C 1.244 176.153 174.900 0.016 0.000 1.236 268 G CA 0.887 46.267 45.100 0.468 0.000 0.927 268 G HN 1.119 nan 8.290 nan 0.000 0.530 269 G N 1.360 110.125 108.800 -0.057 0.000 2.684 269 G HA2 -0.340 3.620 3.960 0.000 0.000 0.332 269 G HA3 -0.340 3.620 3.960 0.000 0.000 0.332 269 G C -0.440 174.295 174.900 -0.275 0.000 1.306 269 G CA 0.690 45.562 45.100 -0.380 0.000 1.002 269 G HN 0.320 nan 8.290 nan 0.000 0.545 270 P HA -0.132 nan 4.420 nan 0.000 0.216 270 P C 2.036 179.263 177.300 -0.121 0.000 1.157 270 P CA 2.195 65.196 63.100 -0.166 0.000 0.880 270 P CB -0.144 31.468 31.700 -0.147 0.000 0.791 271 R N -0.502 119.896 120.500 -0.170 0.000 2.148 271 R HA -0.120 4.221 4.340 0.000 0.000 0.227 271 R C 2.247 178.497 176.300 -0.083 0.000 1.103 271 R CA 1.174 57.181 56.100 -0.154 0.000 0.983 271 R CB -0.513 29.649 30.300 -0.230 0.000 0.874 271 R HN 0.355 nan 8.270 nan 0.000 0.451 272 E N 0.615 120.794 120.200 -0.036 0.000 2.112 272 E HA -0.066 4.284 4.350 0.000 0.000 0.190 272 E C 1.888 178.420 176.600 -0.113 0.000 0.979 272 E CA 0.882 57.307 56.400 0.042 0.000 0.814 272 E CB 0.031 29.736 29.700 0.009 0.000 0.762 272 E HN 0.260 nan 8.360 nan 0.000 0.460 273 A N 1.123 123.926 122.820 -0.028 0.000 1.883 273 A HA -0.201 4.119 4.320 0.000 0.000 0.217 273 A C 2.194 179.787 177.584 0.014 0.000 1.186 273 A CA 1.620 53.679 52.037 0.037 0.000 0.624 273 A CB -0.774 18.230 19.000 0.007 0.000 0.822 273 A HN 0.371 nan 8.150 nan 0.000 0.444 274 I N -2.550 118.005 120.570 -0.024 0.000 2.226 274 I HA -0.266 3.904 4.170 0.000 0.000 0.245 274 I C 2.415 178.474 176.117 -0.098 0.000 1.100 274 I CA 1.541 62.795 61.300 -0.076 0.000 1.374 274 I CB -0.347 37.554 38.000 -0.166 0.000 1.057 274 I HN 0.708 nan 8.210 nan 0.000 0.413 275 W N 1.850 122.976 121.300 -0.289 0.000 2.358 275 W HA -0.175 4.486 4.660 0.000 0.000 0.303 275 W C 2.581 179.001 176.519 -0.166 0.000 1.208 275 W CA 1.637 58.783 57.345 -0.333 0.000 1.274 275 W CB -0.816 28.479 29.460 -0.274 0.000 1.138 275 W HN 0.198 nan 8.180 nan 0.000 0.515 276 H N -0.777 118.141 119.070 -0.253 0.000 2.319 276 H HA -0.163 4.393 4.556 0.000 0.000 0.299 276 H C 2.305 177.151 175.328 -0.803 0.000 1.092 276 H CA 1.342 57.096 56.048 -0.489 0.000 1.302 276 H CB -0.498 29.198 29.762 -0.109 0.000 1.373 276 H HN 0.182 nan 8.280 nan 0.000 0.497 277 A N 1.082 123.538 122.820 -0.607 0.000 1.948 277 A HA -0.175 4.145 4.320 0.000 0.000 0.220 277 A C 2.408 179.744 177.584 -0.414 0.000 1.177 277 A CA 1.458 53.115 52.037 -0.633 0.000 0.636 277 A CB -0.694 18.182 19.000 -0.207 0.000 0.815 277 A HN 0.339 nan 8.150 nan 0.000 0.449 278 I N -0.721 119.629 120.570 -0.367 0.000 2.353 278 I HA -0.208 3.962 4.170 0.000 0.000 0.248 278 I C 2.204 178.182 176.117 -0.230 0.000 1.119 278 I CA 1.158 62.238 61.300 -0.368 0.000 1.417 278 I CB -0.248 37.448 38.000 -0.507 0.000 1.078 278 I HN 0.299 nan 8.210 nan 0.000 0.421 279 I N 0.131 120.550 120.570 -0.253 0.000 2.353 279 I HA -0.212 3.958 4.170 0.000 0.000 0.248 279 I C 2.530 178.636 176.117 -0.019 0.000 1.119 279 I CA 0.952 62.184 61.300 -0.113 0.000 1.417 279 I CB -0.238 37.595 38.000 -0.278 0.000 1.078 279 I HN 0.097 nan 8.210 nan 0.000 0.421 280 R N 0.918 121.285 120.500 -0.221 0.000 2.115 280 R HA -0.084 4.257 4.340 0.000 0.000 0.226 280 R C 2.116 178.408 176.300 -0.013 0.000 1.100 280 R CA 0.957 56.989 56.100 -0.113 0.000 0.980 280 R CB -0.499 29.640 30.300 -0.268 0.000 0.875 280 R HN 0.250 nan 8.270 nan 0.000 0.445 281 K N 0.505 120.859 120.400 -0.077 0.000 2.063 281 K HA -0.125 4.195 4.320 0.000 0.000 0.208 281 K C 1.192 177.818 176.600 0.043 0.000 1.048 281 K CA 1.589 57.867 56.287 -0.016 0.000 0.928 281 K CB -0.040 32.436 32.500 -0.041 0.000 0.713 281 K HN 0.114 nan 8.250 nan 0.000 0.442 282 N N 0.390 119.123 118.700 0.054 0.000 2.309 282 N HA -0.122 4.618 4.740 0.000 0.000 0.182 282 N C 1.162 176.663 175.510 -0.014 0.000 1.018 282 N CA 1.062 54.134 53.050 0.037 0.000 0.876 282 N CB -0.280 38.225 38.487 0.031 0.000 0.972 282 N HN 0.374 nan 8.380 nan 0.000 0.434 283 H N -0.672 118.414 119.070 0.026 0.000 2.556 283 H HA 0.200 4.756 4.556 0.000 0.000 0.268 283 H C 1.249 176.663 175.328 0.142 0.000 0.996 283 H CA 0.737 56.814 56.048 0.048 0.000 1.157 283 H CB -0.066 29.706 29.762 0.017 0.000 1.355 283 H HN 0.333 nan 8.280 nan 0.000 0.597 284 G N -0.739 108.176 108.800 0.192 0.000 2.144 284 G HA2 -0.204 3.756 3.960 0.000 0.000 0.218 284 G HA3 -0.204 3.756 3.960 0.000 0.000 0.218 284 G C 0.325 175.246 174.900 0.035 0.000 0.988 284 G CA -0.000 45.216 45.100 0.193 0.000 0.659 284 G HN 0.645 nan 8.290 nan 0.000 0.522 285 A N 0.205 123.042 122.820 0.028 0.000 2.354 285 A HA 0.762 5.082 4.320 0.000 0.000 0.269 285 A C 1.488 179.069 177.584 -0.004 0.000 1.109 285 A CA 1.122 53.131 52.037 -0.046 0.000 0.800 285 A CB 0.592 19.607 19.000 0.025 0.000 1.045 285 A HN 1.376 nan 8.150 nan 0.000 0.489 286 T N -0.887 113.679 114.554 0.020 0.000 3.051 286 T HA 0.187 4.538 4.350 0.000 0.000 0.255 286 T C 0.588 175.285 174.700 -0.004 0.000 1.085 286 T CA 0.776 62.906 62.100 0.051 0.000 1.109 286 T CB -0.251 68.703 68.868 0.144 0.000 0.921 286 T HN 0.704 nan 8.240 nan 0.000 0.488 287 H N -0.612 118.469 119.070 0.020 0.000 2.821 287 H HA 0.597 5.153 4.556 0.000 0.000 0.373 287 H C -2.027 173.415 175.328 0.190 0.000 1.165 287 H CA -0.982 55.111 56.048 0.076 0.000 1.154 287 H CB 2.254 32.035 29.762 0.031 0.000 1.765 287 H HN 0.182 nan 8.280 nan 0.000 0.549 288 F N 2.397 122.416 119.950 0.115 0.000 2.573 288 F HA 0.392 4.919 4.527 0.000 0.000 0.316 288 F C -1.181 174.691 175.800 0.121 0.000 1.148 288 F CA -0.746 57.312 58.000 0.097 0.000 0.940 288 F CB 0.825 39.848 39.000 0.039 0.000 1.214 288 F HN 0.367 nan 8.300 nan 0.000 0.448 289 I N 6.074 126.445 120.570 -0.332 0.000 2.575 289 I HA 0.401 4.571 4.170 0.000 0.000 0.285 289 I C -0.720 175.066 176.117 -0.551 0.000 1.085 289 I CA -0.562 60.612 61.300 -0.210 0.000 1.403 289 I CB 1.066 39.140 38.000 0.123 0.000 1.409 289 I HN 0.317 nan 8.210 nan 0.000 0.557 290 V N 5.091 124.867 119.914 -0.230 0.000 2.612 290 V HA 0.583 4.703 4.120 0.000 0.000 0.301 290 V C 0.307 176.326 176.094 -0.126 0.000 1.059 290 V CA -0.556 61.578 62.300 -0.276 0.000 0.886 290 V CB 1.182 32.841 31.823 -0.273 0.000 1.007 290 V HN 0.944 nan 8.190 nan 0.000 0.426 291 G N 3.474 112.294 108.800 0.033 0.000 2.971 291 G HA2 0.601 4.561 3.960 0.000 0.000 0.235 291 G HA3 0.601 4.561 3.960 0.000 0.000 0.235 291 G C -0.485 174.295 174.900 -0.200 0.000 1.351 291 G CA -1.095 43.795 45.100 -0.350 0.000 1.039 291 G HN 0.605 nan 8.290 nan 0.000 0.563 292 R N 0.349 120.691 120.500 -0.263 0.000 2.490 292 R HA 0.252 4.592 4.340 0.000 0.000 0.280 292 R C -0.549 175.733 176.300 -0.031 0.000 1.077 292 R CA 0.023 55.981 56.100 -0.236 0.000 1.065 292 R CB 0.403 30.505 30.300 -0.329 0.000 1.003 292 R HN 0.544 nan 8.270 nan 0.000 0.470 293 D N 0.553 120.937 120.400 -0.027 0.000 2.837 293 D HA -0.206 4.434 4.640 0.000 0.000 0.230 293 D C -0.373 175.996 176.300 0.115 0.000 1.152 293 D CA 1.000 55.044 54.000 0.073 0.000 0.736 293 D CB -1.578 39.266 40.800 0.073 0.000 1.084 293 D HN 0.653 nan 8.370 nan 0.000 0.429 294 H N 0.196 119.289 119.070 0.038 0.000 3.070 294 H HA 0.294 4.850 4.556 0.000 0.000 0.313 294 H C 1.096 176.461 175.328 0.061 0.000 0.997 294 H CA 1.092 57.177 56.048 0.062 0.000 1.438 294 H CB 0.328 30.116 29.762 0.044 0.000 1.455 294 H HN 0.335 nan 8.280 nan 0.000 0.575 295 A N 3.412 126.063 122.820 -0.280 0.000 2.640 295 A HA -0.139 4.181 4.320 0.000 0.000 0.300 295 A C 0.785 178.408 177.584 0.065 0.000 1.499 295 A CA 0.994 52.972 52.037 -0.098 0.000 0.759 295 A CB -1.860 17.077 19.000 -0.104 0.000 1.048 295 A HN 1.066 nan 8.150 nan 0.000 0.450 296 G N -0.750 108.110 108.800 0.100 0.000 2.379 296 G HA2 0.610 4.570 3.960 0.000 0.000 0.327 296 G HA3 0.610 4.570 3.960 0.000 0.000 0.327 296 G C -1.163 173.808 174.900 0.119 0.000 1.145 296 G CA -1.098 44.127 45.100 0.208 0.000 0.905 296 G HN 0.177 nan 8.290 nan 0.000 0.466 297 P HA 0.149 nan 4.420 nan 0.000 0.245 297 P C 1.401 178.799 177.300 0.163 0.000 1.212 297 P CA 1.015 64.101 63.100 -0.023 0.000 0.774 297 P CB 0.396 31.824 31.700 -0.452 0.000 0.999 298 G N 0.190 109.112 108.800 0.203 0.000 2.650 298 G HA2 -0.177 3.783 3.960 0.000 0.000 0.264 298 G HA3 -0.177 3.783 3.960 0.000 0.000 0.264 298 G C -0.159 174.807 174.900 0.110 0.000 1.263 298 G CA 0.159 45.348 45.100 0.148 0.000 0.960 298 G HN 0.688 nan 8.290 nan 0.000 0.548 299 S N 0.569 116.268 115.700 -0.002 0.000 2.595 299 S HA 0.675 5.146 4.470 0.000 0.000 0.281 299 S C -0.297 174.098 174.600 -0.341 0.000 1.117 299 S CA 0.328 58.360 58.200 -0.280 0.000 0.873 299 S CB 2.075 65.169 63.200 -0.176 0.000 1.108 299 S HN 1.851 nan 8.310 nan 0.000 0.477 300 N N 0.551 118.874 118.700 -0.628 0.000 2.408 300 N HA 0.203 4.943 4.740 0.000 0.000 0.260 300 N C 1.344 176.764 175.510 -0.149 0.000 1.242 300 N CA -0.023 52.809 53.050 -0.363 0.000 0.959 300 N CB 0.069 38.298 38.487 -0.430 0.000 1.201 300 N HN 0.842 nan 8.380 nan 0.000 0.511 301 S N -0.783 114.881 115.700 -0.061 0.000 2.428 301 S HA -0.305 4.165 4.470 0.000 0.000 0.240 301 S C 0.768 175.340 174.600 -0.046 0.000 1.036 301 S CA 1.495 59.675 58.200 -0.032 0.000 1.009 301 S CB -0.718 62.479 63.200 -0.006 0.000 0.803 301 S HN 0.857 nan 8.310 nan 0.000 0.486 302 K N 0.031 120.388 120.400 -0.070 0.000 3.109 302 K HA 0.532 4.853 4.320 0.000 0.000 0.214 302 K C 1.028 177.581 176.600 -0.078 0.000 1.196 302 K CA 0.006 56.257 56.287 -0.060 0.000 1.115 302 K CB -0.308 32.163 32.500 -0.048 0.000 1.103 302 K HN 0.327 nan 8.250 nan 0.000 0.467 303 G N 1.031 109.779 108.800 -0.085 0.000 2.216 303 G HA2 -0.353 3.607 3.960 0.000 0.000 0.269 303 G HA3 -0.353 3.607 3.960 0.000 0.000 0.269 303 G C -0.372 174.458 174.900 -0.117 0.000 0.981 303 G CA 0.847 45.896 45.100 -0.086 0.000 0.658 303 G HN 0.672 nan 8.290 nan 0.000 0.539 304 E N 1.170 121.270 120.200 -0.166 0.000 2.331 304 E HA 0.385 4.735 4.350 0.000 0.000 0.272 304 E C -0.705 175.715 176.600 -0.300 0.000 1.036 304 E CA -0.672 55.616 56.400 -0.187 0.000 0.864 304 E CB 0.852 30.446 29.700 -0.176 0.000 1.035 304 E HN 0.211 nan 8.360 nan 0.000 0.408 305 D N 1.551 121.826 120.400 -0.208 0.000 2.304 305 D HA 0.064 4.704 4.640 0.000 0.000 0.250 305 D C 0.508 176.661 176.300 -0.245 0.000 1.107 305 D CA -0.105 53.774 54.000 -0.202 0.000 0.885 305 D CB 0.673 41.443 40.800 -0.050 0.000 1.192 305 D HN 0.394 nan 8.370 nan 0.000 0.436 306 F N 0.730 120.575 119.950 -0.176 0.000 2.113 306 F HA -0.105 4.422 4.527 0.000 0.000 0.297 306 F C 0.687 176.217 175.800 -0.449 0.000 1.103 306 F CA 1.116 58.878 58.000 -0.397 0.000 1.248 306 F CB -0.010 38.588 39.000 -0.669 0.000 0.999 306 F HN 0.351 nan 8.300 nan 0.000 0.475 307 Y N -1.477 118.975 120.300 0.253 0.000 2.605 307 Y HA 0.576 5.126 4.550 0.000 0.000 0.343 307 Y C 0.599 176.562 175.900 0.105 0.000 1.036 307 Y CA -1.807 56.396 58.100 0.172 0.000 1.065 307 Y CB 0.479 39.042 38.460 0.171 0.000 1.288 307 Y HN -0.202 nan 8.280 nan 0.000 0.481 308 G N 0.790 109.751 108.800 0.269 0.000 2.527 308 G HA2 0.316 4.276 3.960 0.000 0.000 0.248 308 G HA3 0.316 4.276 3.960 0.000 0.000 0.248 308 G C -2.115 172.832 174.900 0.079 0.000 1.231 308 G CA -1.197 43.998 45.100 0.159 0.000 0.838 308 G HN 0.420 nan 8.290 nan 0.000 0.570 309 P HA -0.113 nan 4.420 nan 0.000 0.216 309 P C 0.338 177.337 177.300 -0.501 0.000 1.150 309 P CA 1.328 64.228 63.100 -0.334 0.000 0.843 309 P CB 0.048 31.407 31.700 -0.569 0.000 0.787 310 Y N -1.761 118.524 120.300 -0.025 0.000 2.607 310 Y HA 0.146 4.696 4.550 0.000 0.000 0.266 310 Y C 1.487 177.333 175.900 -0.091 0.000 1.178 310 Y CA -0.286 57.736 58.100 -0.131 0.000 1.226 310 Y CB -0.598 37.694 38.460 -0.279 0.000 1.144 310 Y HN -0.120 nan 8.280 nan 0.000 0.528 311 D N 0.753 121.222 120.400 0.115 0.000 2.178 311 D HA -0.144 4.496 4.640 0.000 0.000 0.201 311 D C 2.139 178.502 176.300 0.105 0.000 0.980 311 D CA 1.333 55.424 54.000 0.151 0.000 0.842 311 D CB 0.035 40.927 40.800 0.153 0.000 0.948 311 D HN 0.402 nan 8.370 nan 0.000 0.472 312 A N 0.535 123.385 122.820 0.050 0.000 1.874 312 A HA -0.139 4.182 4.320 0.000 0.000 0.214 312 A C 2.086 179.695 177.584 0.042 0.000 1.189 312 A CA 0.893 52.950 52.037 0.033 0.000 0.615 312 A CB -0.503 18.527 19.000 0.050 0.000 0.830 312 A HN 0.129 nan 8.150 nan 0.000 0.443 313 Q N -1.003 118.808 119.800 0.017 0.000 2.181 313 Q HA -0.234 4.106 4.340 0.000 0.000 0.205 313 Q C 1.832 177.891 176.000 0.099 0.000 0.980 313 Q CA 1.824 57.630 55.803 0.007 0.000 0.862 313 Q CB -0.298 28.417 28.738 -0.037 0.000 0.905 313 Q HN 0.877 nan 8.270 nan 0.000 0.429 314 H N -1.010 118.099 119.070 0.065 0.000 2.436 314 H HA 0.052 4.608 4.556 0.000 0.000 0.294 314 H C 2.028 177.389 175.328 0.054 0.000 1.048 314 H CA 0.375 56.455 56.048 0.053 0.000 1.353 314 H CB 0.302 30.102 29.762 0.064 0.000 1.414 314 H HN 0.284 nan 8.280 nan 0.000 0.536 315 A N 0.463 123.399 122.820 0.193 0.000 1.929 315 A HA -0.094 4.226 4.320 0.000 0.000 0.216 315 A C 2.422 180.132 177.584 0.210 0.000 1.176 315 A CA 1.152 53.291 52.037 0.170 0.000 0.628 315 A CB -0.505 18.559 19.000 0.106 0.000 0.816 315 A HN 0.195 nan 8.150 nan 0.000 0.444 316 V N 0.221 120.224 119.914 0.148 0.000 2.548 316 V HA -0.171 3.950 4.120 0.000 0.000 0.249 316 V C 2.480 178.663 176.094 0.149 0.000 1.055 316 V CA 2.046 64.436 62.300 0.150 0.000 1.065 316 V CB -0.675 31.209 31.823 0.101 0.000 0.681 316 V HN 0.702 nan 8.190 nan 0.000 0.462 317 E N 1.920 122.194 120.200 0.123 0.000 2.049 317 E HA -0.298 4.052 4.350 0.000 0.000 0.198 317 E C 2.206 178.825 176.600 0.032 0.000 1.007 317 E CA 2.175 58.627 56.400 0.087 0.000 0.809 317 E CB -0.502 29.275 29.700 0.128 0.000 0.749 317 E HN 0.554 nan 8.360 nan 0.000 0.450 318 K N -1.366 119.029 120.400 -0.009 0.000 2.218 318 K HA -0.200 4.120 4.320 0.000 0.000 0.205 318 K C 1.084 177.483 176.600 -0.335 0.000 1.046 318 K CA 1.632 57.801 56.287 -0.196 0.000 0.933 318 K CB -0.191 32.147 32.500 -0.270 0.000 0.728 318 K HN 0.313 nan 8.250 nan 0.000 0.454 319 Y N -0.294 120.013 120.300 0.012 0.000 2.445 319 Y HA 0.178 4.728 4.550 0.000 0.000 0.247 319 Y C 1.761 177.672 175.900 0.019 0.000 1.129 319 Y CA -0.295 57.814 58.100 0.016 0.000 1.251 319 Y CB 0.389 38.858 38.460 0.016 0.000 1.176 319 Y HN -0.047 nan 8.280 nan 0.000 0.522 320 K N 1.016 121.497 120.400 0.134 0.000 2.097 320 K HA -0.285 4.035 4.320 0.000 0.000 0.214 320 K C 1.095 177.733 176.600 0.064 0.000 1.052 320 K CA 2.458 58.796 56.287 0.085 0.000 0.932 320 K CB -0.109 32.423 32.500 0.053 0.000 0.716 320 K HN 0.248 nan 8.250 nan 0.000 0.455 321 D N 0.298 120.726 120.400 0.046 0.000 2.087 321 D HA -0.181 4.460 4.640 0.000 0.000 0.192 321 D C 1.873 178.209 176.300 0.059 0.000 0.993 321 D CA 1.238 55.259 54.000 0.035 0.000 0.828 321 D CB -0.269 40.539 40.800 0.014 0.000 0.968 321 D HN 0.389 nan 8.370 nan 0.000 0.448 322 E N 0.119 120.372 120.200 0.087 0.000 2.160 322 E HA -0.127 4.223 4.350 0.000 0.000 0.195 322 E C 2.331 179.021 176.600 0.149 0.000 0.991 322 E CA 0.340 56.811 56.400 0.118 0.000 0.810 322 E CB -0.037 29.762 29.700 0.165 0.000 0.742 322 E HN 0.238 nan 8.360 nan 0.000 0.466 323 L N -0.581 120.737 121.223 0.157 0.000 2.201 323 L HA -0.030 4.310 4.340 0.000 0.000 0.212 323 L C 1.402 178.341 176.870 0.115 0.000 1.105 323 L CA 0.627 55.556 54.840 0.148 0.000 0.775 323 L CB -0.327 41.778 42.059 0.078 0.000 0.913 323 L HN 0.320 nan 8.230 nan 0.000 0.440 324 G N 1.506 110.350 108.800 0.073 0.000 2.298 324 G HA2 -0.298 3.662 3.960 0.000 0.000 0.287 324 G HA3 -0.298 3.662 3.960 0.000 0.000 0.287 324 G C -0.266 174.641 174.900 0.011 0.000 1.075 324 G CA 0.593 45.718 45.100 0.042 0.000 0.960 324 G HN 0.382 nan 8.290 nan 0.000 0.502 325 I N -1.880 118.682 120.570 -0.014 0.000 2.753 325 I HA 0.438 4.608 4.170 0.000 0.000 0.291 325 I C -0.864 175.208 176.117 -0.075 0.000 1.425 325 I CA -0.950 60.318 61.300 -0.054 0.000 1.039 325 I CB 1.454 39.439 38.000 -0.025 0.000 1.349 325 I HN 0.097 nan 8.210 nan 0.000 0.430 326 E N 6.034 126.111 120.200 -0.205 0.000 2.167 326 E HA 0.345 4.695 4.350 0.000 0.000 0.284 326 E C -0.903 175.672 176.600 -0.041 0.000 1.016 326 E CA -0.711 55.571 56.400 -0.195 0.000 0.817 326 E CB 2.028 31.479 29.700 -0.415 0.000 1.080 326 E HN 0.384 nan 8.360 nan 0.000 0.397 327 V N 4.435 124.370 119.914 0.034 0.000 2.439 327 V HA 0.016 4.137 4.120 0.000 0.000 0.271 327 V C 0.140 176.278 176.094 0.074 0.000 1.040 327 V CA -0.265 62.081 62.300 0.077 0.000 1.002 327 V CB 0.829 32.691 31.823 0.064 0.000 1.000 327 V HN 0.404 nan 8.190 nan 0.000 0.477 328 V N 5.512 125.479 119.914 0.088 0.000 2.304 328 V HA 0.250 4.370 4.120 0.000 0.000 0.269 328 V C 0.398 176.529 176.094 0.061 0.000 1.036 328 V CA -0.522 61.835 62.300 0.095 0.000 0.840 328 V CB 0.774 32.670 31.823 0.123 0.000 1.036 328 V HN 0.893 nan 8.190 nan 0.000 0.466 329 E N 4.463 124.683 120.200 0.033 0.000 2.259 329 E HA 0.347 4.697 4.350 0.000 0.000 0.281 329 E C -0.522 176.099 176.600 0.035 0.000 1.037 329 E CA -0.383 56.001 56.400 -0.028 0.000 0.854 329 E CB 0.916 30.588 29.700 -0.047 0.000 1.051 329 E HN 0.608 nan 8.360 nan 0.000 0.409 330 F N 1.254 121.228 119.950 0.040 0.000 2.385 330 F HA 0.279 4.806 4.527 0.000 0.000 0.336 330 F C 0.062 175.895 175.800 0.055 0.000 1.100 330 F CA -1.227 56.795 58.000 0.036 0.000 1.116 330 F CB 0.657 39.676 39.000 0.031 0.000 1.166 330 F HN 0.291 nan 8.300 nan 0.000 0.511 331 Q N 4.549 124.581 119.800 0.387 0.000 2.769 331 Q HA 0.304 4.644 4.340 0.000 0.000 0.375 331 Q C -0.351 175.833 176.000 0.306 0.000 0.996 331 Q CA -0.582 55.391 55.803 0.283 0.000 1.042 331 Q CB 0.598 29.423 28.738 0.144 0.000 1.329 331 Q HN 0.918 nan 8.270 nan 0.000 0.427 332 M N 2.220 122.099 119.600 0.466 0.000 2.234 332 M HA -0.121 4.360 4.480 0.000 0.000 0.409 332 M C 0.054 176.432 176.300 0.131 0.000 1.378 332 M CA 0.332 55.728 55.300 0.160 0.000 0.815 332 M CB 0.498 33.144 32.600 0.076 0.000 1.971 332 M HN 0.581 nan 8.290 nan 0.000 0.506 333 V N 2.123 122.089 119.914 0.086 0.000 3.262 333 V HA 0.702 4.822 4.120 0.000 0.000 0.313 333 V C 0.038 176.228 176.094 0.160 0.000 1.070 333 V CA -0.497 61.875 62.300 0.120 0.000 1.049 333 V CB 1.661 33.563 31.823 0.132 0.000 1.157 333 V HN 0.900 nan 8.190 nan 0.000 0.454 334 T N -0.742 113.919 114.554 0.178 0.000 2.780 334 T HA 0.546 4.896 4.350 0.000 0.000 0.263 334 T C -1.461 173.402 174.700 0.271 0.000 0.993 334 T CA -0.375 61.851 62.100 0.210 0.000 1.010 334 T CB 1.271 70.210 68.868 0.119 0.000 1.642 334 T HN 0.859 nan 8.240 nan 0.000 0.587 335 Y N 0.662 120.943 120.300 -0.031 0.000 2.446 335 Y HA 0.659 5.209 4.550 0.000 0.000 0.345 335 Y C -1.309 174.380 175.900 -0.351 0.000 0.984 335 Y CA -1.622 56.302 58.100 -0.292 0.000 1.058 335 Y CB 1.182 39.414 38.460 -0.381 0.000 1.220 335 Y HN 0.460 nan 8.280 nan 0.000 0.455 336 L N 9.096 129.661 121.223 -1.097 0.000 2.366 336 L HA 0.364 4.704 4.340 0.000 0.000 0.266 336 L C -2.142 174.001 176.870 -1.212 0.000 1.010 336 L CA -1.797 52.530 54.840 -0.856 0.000 0.879 336 L CB 1.596 43.365 42.059 -0.483 0.000 1.228 336 L HN 0.494 nan 8.230 nan 0.000 0.439 337 P HA -0.192 nan 4.420 nan 0.000 0.213 337 P C 0.735 177.791 177.300 -0.407 0.000 1.170 337 P CA 1.545 64.225 63.100 -0.699 0.000 0.902 337 P CB 0.230 31.672 31.700 -0.430 0.000 0.789 338 D N -1.317 118.894 120.400 -0.315 0.000 2.133 338 D HA -0.166 4.474 4.640 0.000 0.000 0.195 338 D C 1.609 177.789 176.300 -0.201 0.000 0.997 338 D CA 1.866 55.744 54.000 -0.204 0.000 0.840 338 D CB -1.334 39.364 40.800 -0.171 0.000 0.947 338 D HN 0.209 nan 8.370 nan 0.000 0.452 339 T N -0.826 113.565 114.554 -0.273 0.000 2.770 339 T HA -0.091 4.259 4.350 0.000 0.000 0.258 339 T C 0.797 175.365 174.700 -0.221 0.000 1.039 339 T CA 1.226 63.187 62.100 -0.231 0.000 1.143 339 T CB -0.303 68.412 68.868 -0.255 0.000 0.866 339 T HN 0.242 nan 8.240 nan 0.000 0.428 340 D N 0.890 121.066 120.400 -0.372 0.000 2.956 340 D HA -0.113 4.527 4.640 0.000 0.000 0.223 340 D C -0.347 175.881 176.300 -0.120 0.000 1.102 340 D CA 0.503 54.387 54.000 -0.193 0.000 0.797 340 D CB -1.302 39.488 40.800 -0.016 0.000 1.094 340 D HN 0.647 nan 8.370 nan 0.000 0.438 341 E N -1.135 118.848 120.200 -0.362 0.000 2.450 341 E HA 0.631 4.981 4.350 0.000 0.000 0.272 341 E C -0.960 175.399 176.600 -0.401 0.000 0.967 341 E CA -0.940 55.346 56.400 -0.191 0.000 0.818 341 E CB 1.184 30.854 29.700 -0.050 0.000 1.401 341 E HN 0.071 nan 8.360 nan 0.000 0.450 342 Y N -0.221 120.128 120.300 0.082 0.000 2.499 342 Y HA 0.655 5.205 4.550 0.000 0.000 0.347 342 Y C -0.186 175.731 175.900 0.028 0.000 0.987 342 Y CA -0.926 57.227 58.100 0.089 0.000 1.044 342 Y CB 1.830 40.360 38.460 0.116 0.000 1.245 342 Y HN 0.217 nan 8.280 nan 0.000 0.461 343 R N 1.377 121.970 120.500 0.156 0.000 2.680 343 R HA 0.429 4.769 4.340 0.000 0.000 0.269 343 R C -3.124 173.224 176.300 0.080 0.000 1.026 343 R CA -2.236 53.918 56.100 0.089 0.000 0.889 343 R CB 2.118 32.438 30.300 0.034 0.000 1.241 343 R HN 0.334 nan 8.270 nan 0.000 0.463 344 P HA -0.142 nan 4.420 nan 0.000 0.271 344 P C 0.968 178.305 177.300 0.062 0.000 1.212 344 P CA 0.063 63.205 63.100 0.070 0.000 0.788 344 P CB 0.467 32.202 31.700 0.057 0.000 0.865 345 V N -2.512 117.445 119.914 0.071 0.000 3.330 345 V HA -0.115 4.005 4.120 0.000 0.000 0.273 345 V C 0.548 176.666 176.094 0.041 0.000 1.179 345 V CA 1.737 64.075 62.300 0.062 0.000 1.174 345 V CB -1.058 30.811 31.823 0.076 0.000 0.794 345 V HN 0.405 nan 8.190 nan 0.000 0.527 346 D N -1.291 119.130 120.400 0.034 0.000 2.403 346 D HA 0.035 4.675 4.640 0.000 0.000 0.280 346 D C 1.601 177.909 176.300 0.012 0.000 1.091 346 D CA 0.076 54.088 54.000 0.020 0.000 0.884 346 D CB -0.039 40.773 40.800 0.020 0.000 1.427 346 D HN 0.390 nan 8.370 nan 0.000 0.504 347 Q N 1.124 120.933 119.800 0.015 0.000 2.547 347 Q HA 0.049 4.389 4.340 0.000 0.000 0.217 347 Q C 0.188 176.184 176.000 -0.006 0.000 0.978 347 Q CA 0.313 56.121 55.803 0.007 0.000 0.962 347 Q CB 0.217 28.964 28.738 0.015 0.000 0.990 347 Q HN 0.127 nan 8.270 nan 0.000 0.538 348 V N 2.793 122.702 119.914 -0.009 0.000 2.328 348 V HA 0.234 4.354 4.120 0.000 0.000 0.278 348 V C -2.006 174.071 176.094 -0.029 0.000 1.021 348 V CA -1.736 60.548 62.300 -0.027 0.000 0.838 348 V CB 1.138 32.944 31.823 -0.029 0.000 0.999 348 V HN 0.067 nan 8.190 nan 0.000 0.447 349 P HA 0.142 nan 4.420 nan 0.000 0.267 349 P C -0.054 177.225 177.300 -0.035 0.000 1.200 349 P CA -0.080 63.000 63.100 -0.033 0.000 0.772 349 P CB 0.502 32.178 31.700 -0.039 0.000 0.855 350 A N 2.773 125.577 122.820 -0.028 0.000 2.507 350 A HA 0.406 4.727 4.320 0.000 0.000 0.281 350 A C 1.336 178.900 177.584 -0.034 0.000 1.154 350 A CA 0.734 52.755 52.037 -0.026 0.000 0.828 350 A CB -1.663 17.325 19.000 -0.019 0.000 1.069 350 A HN 0.881 nan 8.150 nan 0.000 0.522 351 G N 1.476 110.251 108.800 -0.040 0.000 2.143 351 G HA2 -0.138 3.822 3.960 0.000 0.000 0.175 351 G HA3 -0.138 3.822 3.960 0.000 0.000 0.175 351 G C 0.536 175.396 174.900 -0.066 0.000 1.004 351 G CA 0.089 45.161 45.100 -0.048 0.000 0.671 351 G HN 0.878 nan 8.290 nan 0.000 0.512 352 V N -0.138 119.729 119.914 -0.080 0.000 2.283 352 V HA 0.352 4.472 4.120 0.000 0.000 0.222 352 V C 1.078 177.089 176.094 -0.137 0.000 1.035 352 V CA 1.542 63.774 62.300 -0.114 0.000 1.028 352 V CB -0.091 31.654 31.823 -0.130 0.000 0.659 352 V HN 0.268 nan 8.190 nan 0.000 0.468 353 K N 0.146 120.451 120.400 -0.158 0.000 2.664 353 K HA 0.157 4.478 4.320 0.000 0.000 0.298 353 K C -0.408 176.097 176.600 -0.159 0.000 1.152 353 K CA 0.030 56.212 56.287 -0.176 0.000 1.038 353 K CB 1.002 33.344 32.500 -0.263 0.000 1.342 353 K HN 0.361 nan 8.250 nan 0.000 0.496 354 T N 3.408 117.905 114.554 -0.095 0.000 3.802 354 T HA 0.136 4.486 4.350 0.000 0.000 0.243 354 T C 0.443 175.119 174.700 -0.039 0.000 0.934 354 T CA -0.127 61.944 62.100 -0.048 0.000 0.931 354 T CB -0.696 68.162 68.868 -0.015 0.000 1.167 354 T HN 0.324 nan 8.240 nan 0.000 0.655 355 L N 3.230 124.380 121.223 -0.120 0.000 2.536 355 L HA 0.281 4.621 4.340 0.000 0.000 0.282 355 L C 0.188 177.094 176.870 0.061 0.000 1.147 355 L CA 0.015 54.753 54.840 -0.170 0.000 0.936 355 L CB -0.486 41.228 42.059 -0.575 0.000 1.279 355 L HN 0.373 nan 8.230 nan 0.000 0.461 356 N N 3.408 122.259 118.700 0.251 0.000 2.519 356 N HA 0.420 5.160 4.740 0.000 0.000 0.291 356 N C -0.708 174.990 175.510 0.314 0.000 1.107 356 N CA -0.436 52.846 53.050 0.388 0.000 0.904 356 N CB 1.713 40.347 38.487 0.244 0.000 1.500 356 N HN 0.287 nan 8.380 nan 0.000 0.510 357 I N 0.850 121.599 120.570 0.299 0.000 2.581 357 I HA 0.214 4.384 4.170 0.000 0.000 0.288 357 I C 0.841 176.951 176.117 -0.011 0.000 1.047 357 I CA -0.317 60.942 61.300 -0.069 0.000 1.374 357 I CB 1.326 38.832 38.000 -0.823 0.000 1.423 357 I HN 0.409 nan 8.210 nan 0.000 0.549 358 S N 3.219 118.888 115.700 -0.051 0.000 2.601 358 S HA 0.306 4.776 4.470 0.000 0.000 0.271 358 S C 1.128 175.734 174.600 0.010 0.000 1.305 358 S CA -0.136 58.071 58.200 0.013 0.000 1.022 358 S CB 1.437 64.642 63.200 0.007 0.000 0.940 358 S HN 0.797 nan 8.310 nan 0.000 0.525 359 G N 2.025 110.875 108.800 0.083 0.000 2.403 359 G HA2 -0.095 3.865 3.960 0.000 0.000 0.216 359 G HA3 -0.095 3.865 3.960 0.000 0.000 0.216 359 G C 1.227 176.165 174.900 0.063 0.000 1.154 359 G CA 1.057 46.226 45.100 0.115 0.000 0.784 359 G HN 0.728 nan 8.290 nan 0.000 0.538 360 T N 0.455 115.035 114.554 0.043 0.000 2.867 360 T HA -0.016 4.334 4.350 0.000 0.000 0.268 360 T C 2.118 176.817 174.700 -0.001 0.000 1.057 360 T CA 1.090 63.206 62.100 0.026 0.000 1.136 360 T CB 0.019 68.902 68.868 0.025 0.000 0.874 360 T HN 0.158 nan 8.240 nan 0.000 0.466 361 E N 0.747 120.934 120.200 -0.023 0.000 2.158 361 E HA 0.022 4.372 4.350 0.000 0.000 0.191 361 E C 2.088 178.625 176.600 -0.104 0.000 0.982 361 E CA 0.413 56.776 56.400 -0.062 0.000 0.823 361 E CB -0.190 29.462 29.700 -0.079 0.000 0.766 361 E HN 0.335 nan 8.360 nan 0.000 0.468 362 L N 1.165 122.317 121.223 -0.118 0.000 2.027 362 L HA -0.099 4.241 4.340 0.000 0.000 0.206 362 L C 2.308 179.146 176.870 -0.054 0.000 1.074 362 L CA 1.605 56.356 54.840 -0.148 0.000 0.745 362 L CB -0.273 41.732 42.059 -0.089 0.000 0.898 362 L HN -0.078 nan 8.230 nan 0.000 0.433 363 R N -0.863 119.638 120.500 0.002 0.000 2.083 363 R HA -0.153 4.188 4.340 0.000 0.000 0.237 363 R C 2.485 178.781 176.300 -0.008 0.000 1.137 363 R CA 1.561 57.670 56.100 0.016 0.000 0.951 363 R CB -0.537 29.782 30.300 0.032 0.000 0.851 363 R HN 0.296 nan 8.270 nan 0.000 0.434 364 R N 0.978 121.468 120.500 -0.017 0.000 2.112 364 R HA -0.184 4.156 4.340 0.000 0.000 0.242 364 R C 2.216 178.495 176.300 -0.035 0.000 1.137 364 R CA 1.859 57.946 56.100 -0.022 0.000 0.944 364 R CB -0.129 30.156 30.300 -0.026 0.000 0.857 364 R HN 0.259 nan 8.270 nan 0.000 0.435 365 R N 0.109 120.573 120.500 -0.059 0.000 2.066 365 R HA -0.087 4.253 4.340 0.000 0.000 0.232 365 R C 2.553 178.818 176.300 -0.058 0.000 1.131 365 R CA 1.281 57.338 56.100 -0.070 0.000 0.955 365 R CB -0.540 29.689 30.300 -0.119 0.000 0.851 365 R HN 0.247 nan 8.270 nan 0.000 0.432 366 L N 0.568 121.759 121.223 -0.054 0.000 2.051 366 L HA -0.269 4.072 4.340 0.000 0.000 0.214 366 L C 2.657 179.513 176.870 -0.023 0.000 1.076 366 L CA 1.659 56.479 54.840 -0.034 0.000 0.758 366 L CB -0.388 41.666 42.059 -0.008 0.000 0.890 366 L HN 0.195 nan 8.230 nan 0.000 0.433 367 R N -0.257 120.233 120.500 -0.017 0.000 2.070 367 R HA -0.154 4.186 4.340 0.000 0.000 0.232 367 R C 2.561 178.850 176.300 -0.019 0.000 1.138 367 R CA 1.813 57.906 56.100 -0.012 0.000 0.936 367 R CB -0.703 29.592 30.300 -0.007 0.000 0.839 367 R HN 0.450 nan 8.270 nan 0.000 0.429 368 S N -0.618 115.069 115.700 -0.022 0.000 2.447 368 S HA -0.007 4.463 4.470 0.000 0.000 0.233 368 S C 1.607 176.192 174.600 -0.025 0.000 1.006 368 S CA 0.901 59.087 58.200 -0.023 0.000 0.957 368 S CB 0.004 63.191 63.200 -0.021 0.000 0.773 368 S HN 0.624 nan 8.310 nan 0.000 0.507 369 G N 0.680 109.463 108.800 -0.028 0.000 2.157 369 G HA2 -0.093 3.867 3.960 0.000 0.000 0.248 369 G HA3 -0.093 3.867 3.960 0.000 0.000 0.248 369 G C 0.193 175.083 174.900 -0.016 0.000 0.979 369 G CA 0.011 45.096 45.100 -0.025 0.000 0.650 369 G HN 1.431 nan 8.290 nan 0.000 0.529 370 A N 1.177 123.985 122.820 -0.020 0.000 2.484 370 A HA 0.489 4.810 4.320 0.000 0.000 0.268 370 A C 0.889 178.473 177.584 0.001 0.000 1.114 370 A CA 0.255 52.291 52.037 -0.001 0.000 0.780 370 A CB -0.119 18.872 19.000 -0.014 0.000 1.061 370 A HN 0.886 nan 8.150 nan 0.000 0.505 371 H N 1.836 120.875 119.070 -0.052 0.000 3.187 371 H HA -0.082 4.475 4.556 0.000 0.000 0.311 371 H C -0.543 174.726 175.328 -0.098 0.000 0.986 371 H CA 1.517 57.529 56.048 -0.059 0.000 1.323 371 H CB 0.240 29.978 29.762 -0.040 0.000 1.220 371 H HN 0.549 nan 8.280 nan 0.000 0.591 372 I N 7.114 127.315 120.570 -0.615 0.000 2.436 372 I HA 0.182 4.352 4.170 0.000 0.000 0.289 372 I C -2.116 173.712 176.117 -0.482 0.000 1.010 372 I CA -2.096 58.940 61.300 -0.440 0.000 1.098 372 I CB 1.900 39.687 38.000 -0.354 0.000 1.266 372 I HN 0.433 nan 8.210 nan 0.000 0.434 373 P HA -0.085 nan 4.420 nan 0.000 0.255 373 P C 0.571 177.554 177.300 -0.528 0.000 1.161 373 P CA 0.433 63.262 63.100 -0.452 0.000 0.768 373 P CB 0.438 31.510 31.700 -1.047 0.000 0.746 374 E N 3.601 123.667 120.200 -0.224 0.000 2.333 374 E HA -0.151 4.199 4.350 0.000 0.000 0.198 374 E C 0.973 177.408 176.600 -0.274 0.000 1.007 374 E CA 0.604 56.885 56.400 -0.199 0.000 0.845 374 E CB -0.024 29.652 29.700 -0.041 0.000 0.766 374 E HN 0.647 nan 8.360 nan 0.000 0.507 375 W N -0.648 120.520 121.300 -0.220 0.000 2.905 375 W HA -0.008 4.652 4.660 0.000 0.000 0.251 375 W C 1.143 177.446 176.519 -0.361 0.000 1.305 375 W CA -0.286 56.773 57.345 -0.477 0.000 1.465 375 W CB -0.639 28.268 29.460 -0.922 0.000 1.122 375 W HN 0.035 nan 8.180 nan 0.000 0.659 376 F N 1.992 121.317 119.950 -1.040 0.000 2.343 376 F HA 0.304 4.831 4.527 0.000 0.000 0.286 376 F C 0.673 176.170 175.800 -0.505 0.000 1.057 376 F CA 1.178 58.630 58.000 -0.914 0.000 1.365 376 F CB 0.018 38.243 39.000 -1.292 0.000 1.114 376 F HN -0.225 nan 8.300 nan 0.000 0.545 377 S N -0.926 114.497 115.700 -0.462 0.000 2.546 377 S HA 0.401 4.871 4.470 0.000 0.000 0.272 377 S C -1.445 173.023 174.600 -0.221 0.000 1.140 377 S CA -0.634 57.367 58.200 -0.331 0.000 0.920 377 S CB 0.238 63.291 63.200 -0.246 0.000 1.083 377 S HN 0.091 nan 8.310 nan 0.000 0.476 378 Y N 3.460 123.713 120.300 -0.079 0.000 2.683 378 Y HA 0.139 4.690 4.550 0.000 0.000 0.340 378 Y C -1.374 174.501 175.900 -0.042 0.000 1.245 378 Y CA -0.828 57.242 58.100 -0.050 0.000 1.485 378 Y CB -0.222 38.219 38.460 -0.031 0.000 1.328 378 Y HN 0.546 nan 8.280 nan 0.000 0.603 379 P HA -0.250 nan 4.420 nan 0.000 0.210 379 P C 1.438 178.770 177.300 0.053 0.000 1.185 379 P CA 2.259 65.386 63.100 0.046 0.000 0.924 379 P CB 0.126 31.860 31.700 0.056 0.000 0.786 380 E N -0.127 120.116 120.200 0.071 0.000 2.219 380 E HA -0.150 4.200 4.350 0.000 0.000 0.198 380 E C 1.908 178.533 176.600 0.041 0.000 0.998 380 E CA 1.420 57.848 56.400 0.047 0.000 0.818 380 E CB -1.529 28.195 29.700 0.041 0.000 0.741 380 E HN 0.123 nan 8.360 nan 0.000 0.477 381 V N 1.232 121.186 119.914 0.068 0.000 2.346 381 V HA -0.158 3.962 4.120 0.000 0.000 0.244 381 V C 2.648 178.774 176.094 0.052 0.000 1.037 381 V CA 1.273 63.609 62.300 0.060 0.000 1.029 381 V CB -0.093 31.802 31.823 0.119 0.000 0.663 381 V HN 0.115 nan 8.190 nan 0.000 0.454 382 V N 0.109 120.055 119.914 0.053 0.000 2.515 382 V HA -0.248 3.872 4.120 0.000 0.000 0.250 382 V C 2.371 178.464 176.094 -0.002 0.000 1.058 382 V CA 2.101 64.411 62.300 0.018 0.000 1.064 382 V CB -0.688 31.111 31.823 -0.040 0.000 0.675 382 V HN 0.548 nan 8.190 nan 0.000 0.461 383 K N 0.133 120.533 120.400 0.001 0.000 2.103 383 K HA -0.165 4.155 4.320 0.000 0.000 0.207 383 K C 1.965 178.566 176.600 0.002 0.000 1.048 383 K CA 1.693 57.981 56.287 0.000 0.000 0.930 383 K CB -0.163 32.343 32.500 0.009 0.000 0.716 383 K HN 0.468 nan 8.250 nan 0.000 0.444 384 I N 0.499 121.071 120.570 0.002 0.000 2.400 384 I HA -0.200 3.970 4.170 0.000 0.000 0.248 384 I C 1.989 178.100 176.117 -0.010 0.000 1.109 384 I CA 0.582 61.879 61.300 -0.005 0.000 1.425 384 I CB -0.117 37.872 38.000 -0.018 0.000 1.094 384 I HN 0.107 nan 8.210 nan 0.000 0.425 385 L N 0.504 121.722 121.223 -0.007 0.000 2.187 385 L HA -0.187 4.153 4.340 0.000 0.000 0.213 385 L C 2.673 179.546 176.870 0.004 0.000 1.100 385 L CA 1.280 56.118 54.840 -0.002 0.000 0.765 385 L CB -0.541 41.541 42.059 0.039 0.000 0.904 385 L HN 0.213 nan 8.230 nan 0.000 0.437 386 R N 0.093 120.593 120.500 0.001 0.000 2.090 386 R HA -0.119 4.222 4.340 0.000 0.000 0.228 386 R C 1.989 178.290 176.300 0.002 0.000 1.110 386 R CA 0.978 57.076 56.100 -0.003 0.000 0.973 386 R CB -0.185 30.108 30.300 -0.011 0.000 0.869 386 R HN 0.459 nan 8.270 nan 0.000 0.440 387 E N 0.545 120.749 120.200 0.005 0.000 2.339 387 E HA -0.187 4.164 4.350 0.000 0.000 0.201 387 E C 1.473 178.084 176.600 0.018 0.000 1.015 387 E CA 1.532 57.940 56.400 0.012 0.000 0.841 387 E CB -0.093 29.616 29.700 0.015 0.000 0.754 387 E HN 0.349 nan 8.360 nan 0.000 0.508 388 S N 0.136 115.847 115.700 0.018 0.000 2.593 388 S HA 0.071 4.541 4.470 0.000 0.000 0.217 388 S C 0.604 175.217 174.600 0.022 0.000 0.966 388 S CA -0.307 57.909 58.200 0.026 0.000 0.914 388 S CB 0.252 63.468 63.200 0.027 0.000 0.776 388 S HN 0.084 nan 8.310 nan 0.000 0.523 389 N N 2.344 121.053 118.700 0.014 0.000 2.697 389 N HA 0.313 5.053 4.740 0.000 0.000 0.253 389 N C -3.268 172.242 175.510 0.001 0.000 1.604 389 N CA -0.756 52.300 53.050 0.009 0.000 0.772 389 N CB 1.385 39.875 38.487 0.004 0.000 1.267 389 N HN 0.247 nan 8.380 nan 0.000 0.510 390 P HA 0.207 nan 4.420 nan 0.000 0.269 390 P C -2.511 174.777 177.300 -0.020 0.000 1.217 390 P CA -0.693 62.408 63.100 0.001 0.000 0.783 390 P CB -0.173 31.536 31.700 0.015 0.000 0.898 391 P HA 0.239 nan 4.420 nan 0.000 0.280 391 P C 0.834 178.076 177.300 -0.097 0.000 1.244 391 P CA -0.348 62.718 63.100 -0.057 0.000 0.784 391 P CB 0.536 32.216 31.700 -0.034 0.000 0.913 392 R N 2.868 123.241 120.500 -0.210 0.000 2.204 392 R HA -0.192 4.149 4.340 0.000 0.000 0.253 392 R C 1.603 177.758 176.300 -0.243 0.000 1.172 392 R CA 1.800 57.626 56.100 -0.456 0.000 0.994 392 R CB -1.518 28.332 30.300 -0.750 0.000 0.874 392 R HN 0.562 nan 8.270 nan 0.000 0.462 393 A N -0.551 122.215 122.820 -0.090 0.000 2.239 393 A HA -0.017 4.304 4.320 0.000 0.000 0.209 393 A C 1.626 179.259 177.584 0.082 0.000 1.171 393 A CA 1.209 53.265 52.037 0.032 0.000 0.768 393 A CB -0.027 18.985 19.000 0.020 0.000 0.790 393 A HN 0.233 nan 8.150 nan 0.000 0.478 394 T N -0.877 113.716 114.554 0.065 0.000 2.964 394 T HA 0.114 4.464 4.350 0.000 0.000 0.249 394 T C 0.669 175.435 174.700 0.111 0.000 1.000 394 T CA -0.147 61.998 62.100 0.075 0.000 0.992 394 T CB 0.096 68.986 68.868 0.037 0.000 1.087 394 T HN 0.558 nan 8.240 nan 0.000 0.489 395 Q N 1.422 121.313 119.800 0.152 0.000 2.330 395 Q HA 0.408 4.748 4.340 0.000 0.000 0.279 395 Q C 0.665 176.841 176.000 0.294 0.000 1.024 395 Q CA -0.186 55.750 55.803 0.222 0.000 0.900 395 Q CB 0.677 29.592 28.738 0.294 0.000 1.221 395 Q HN 0.395 nan 8.270 nan 0.000 0.396 396 G N 1.399 110.289 108.800 0.151 0.000 2.616 396 G HA2 0.484 4.445 3.960 0.000 0.000 0.268 396 G HA3 0.484 4.445 3.960 0.000 0.000 0.268 396 G C -0.703 174.269 174.900 0.120 0.000 1.213 396 G CA -0.321 44.772 45.100 -0.012 0.000 0.926 396 G HN 0.568 nan 8.290 nan 0.000 0.523 397 F N -3.019 116.985 119.950 0.090 0.000 2.741 397 F HA 0.703 5.230 4.527 0.000 0.000 0.311 397 F C -0.695 175.127 175.800 0.037 0.000 1.149 397 F CA -1.438 56.591 58.000 0.049 0.000 0.930 397 F CB 1.129 40.072 39.000 -0.095 0.000 1.312 397 F HN 0.467 nan 8.300 nan 0.000 0.450 398 T N 3.259 118.022 114.554 0.348 0.000 2.824 398 T HA 0.613 4.963 4.350 0.000 0.000 0.282 398 T C -0.964 173.848 174.700 0.186 0.000 0.993 398 T CA -0.407 61.827 62.100 0.224 0.000 0.967 398 T CB 1.434 70.433 68.868 0.219 0.000 0.960 398 T HN 0.493 nan 8.240 nan 0.000 0.441 399 I N 3.644 124.310 120.570 0.159 0.000 2.330 399 I HA 0.337 4.507 4.170 0.000 0.000 0.286 399 I C -0.620 175.499 176.117 0.004 0.000 1.025 399 I CA -0.846 60.493 61.300 0.064 0.000 1.197 399 I CB 0.451 38.484 38.000 0.056 0.000 1.358 399 I HN 0.664 nan 8.210 nan 0.000 0.467 400 F N 7.449 127.241 119.950 -0.264 0.000 2.313 400 F HA 0.443 4.970 4.527 0.000 0.000 0.369 400 F C -0.104 175.655 175.800 -0.067 0.000 1.109 400 F CA -0.517 57.379 58.000 -0.173 0.000 1.132 400 F CB 0.628 39.438 39.000 -0.316 0.000 1.291 400 F HN 0.250 nan 8.300 nan 0.000 0.496 401 L N 4.304 125.537 121.223 0.016 0.000 2.399 401 L HA 0.531 4.871 4.340 0.000 0.000 0.266 401 L C 0.260 177.228 176.870 0.164 0.000 1.114 401 L CA -0.433 54.459 54.840 0.087 0.000 0.804 401 L CB 1.584 43.644 42.059 0.001 0.000 1.146 401 L HN 0.497 nan 8.230 nan 0.000 0.451 402 T N 0.690 115.382 114.554 0.230 0.000 2.982 402 T HA 0.743 5.093 4.350 0.000 0.000 0.321 402 T C -0.692 174.168 174.700 0.266 0.000 1.229 402 T CA 0.043 62.307 62.100 0.273 0.000 1.044 402 T CB 1.686 70.764 68.868 0.350 0.000 1.184 402 T HN 1.003 nan 8.240 nan 0.000 0.477 403 G N 2.030 110.926 108.800 0.160 0.000 2.313 403 G HA2 0.396 4.356 3.960 0.000 0.000 0.296 403 G HA3 0.396 4.356 3.960 0.000 0.000 0.296 403 G C -1.639 173.091 174.900 -0.284 0.000 1.356 403 G CA -0.886 44.141 45.100 -0.121 0.000 0.833 403 G HN 0.753 nan 8.290 nan 0.000 0.552 404 Y N 0.167 120.280 120.300 -0.312 0.000 2.459 404 Y HA 0.305 4.856 4.550 0.000 0.000 0.349 404 Y C 1.637 177.541 175.900 0.006 0.000 1.266 404 Y CA -0.232 57.767 58.100 -0.168 0.000 1.483 404 Y CB 0.538 38.957 38.460 -0.067 0.000 1.362 404 Y HN 0.425 nan 8.280 nan 0.000 0.628 405 M N 3.002 122.766 119.600 0.275 0.000 2.239 405 M HA -0.062 4.418 4.480 0.000 0.000 0.348 405 M C 0.307 176.799 176.300 0.320 0.000 1.239 405 M CA 0.406 55.821 55.300 0.192 0.000 1.114 405 M CB -0.391 32.249 32.600 0.067 0.000 1.641 405 M HN 0.939 nan 8.290 nan 0.000 0.453 406 N N 1.948 120.774 118.700 0.209 0.000 2.740 406 N HA -0.174 4.566 4.740 0.000 0.000 0.248 406 N C 0.175 175.804 175.510 0.198 0.000 1.062 406 N CA 1.026 54.193 53.050 0.194 0.000 0.704 406 N CB -1.051 37.593 38.487 0.262 0.000 0.968 406 N HN 0.716 nan 8.380 nan 0.000 0.547 407 S N -1.753 114.035 115.700 0.146 0.000 2.575 407 S HA 0.430 4.900 4.470 0.000 0.000 0.215 407 S C 1.645 176.266 174.600 0.035 0.000 0.966 407 S CA 0.841 59.141 58.200 0.167 0.000 0.911 407 S CB 0.547 63.827 63.200 0.133 0.000 0.780 407 S HN 1.377 nan 8.310 nan 0.000 0.514 408 G N 2.668 111.340 108.800 -0.214 0.000 2.195 408 G HA2 -0.333 3.628 3.960 0.000 0.000 0.224 408 G HA3 -0.333 3.628 3.960 0.000 0.000 0.224 408 G C 0.855 175.449 174.900 -0.511 0.000 0.990 408 G CA 0.273 44.859 45.100 -0.858 0.000 0.639 408 G HN 0.665 nan 8.290 nan 0.000 0.514 409 K N 0.350 120.618 120.400 -0.220 0.000 2.152 409 K HA -0.066 4.254 4.320 0.000 0.000 0.206 409 K C 1.510 178.035 176.600 -0.126 0.000 1.048 409 K CA 1.797 58.006 56.287 -0.130 0.000 0.933 409 K CB -0.211 32.261 32.500 -0.047 0.000 0.721 409 K HN 0.252 nan 8.250 nan 0.000 0.447 410 D N 1.595 121.921 120.400 -0.124 0.000 2.097 410 D HA -0.071 4.570 4.640 0.000 0.000 0.197 410 D C 2.070 178.309 176.300 -0.102 0.000 0.984 410 D CA 1.777 55.724 54.000 -0.088 0.000 0.826 410 D CB -0.206 40.559 40.800 -0.058 0.000 0.973 410 D HN 0.388 nan 8.370 nan 0.000 0.460 411 A N 0.350 123.074 122.820 -0.161 0.000 1.902 411 A HA -0.135 4.186 4.320 0.000 0.000 0.217 411 A C 2.280 179.799 177.584 -0.107 0.000 1.181 411 A CA 0.939 52.895 52.037 -0.134 0.000 0.623 411 A CB -0.774 18.115 19.000 -0.185 0.000 0.818 411 A HN 0.193 nan 8.150 nan 0.000 0.443 412 I N -0.179 120.300 120.570 -0.152 0.000 2.127 412 I HA -0.332 3.838 4.170 0.000 0.000 0.241 412 I C 3.035 179.121 176.117 -0.053 0.000 1.075 412 I CA 1.214 62.463 61.300 -0.085 0.000 1.334 412 I CB -0.459 37.487 38.000 -0.090 0.000 1.040 412 I HN 0.370 nan 8.210 nan 0.000 0.405 413 A N 0.809 123.592 122.820 -0.062 0.000 1.873 413 A HA -0.266 4.054 4.320 0.000 0.000 0.218 413 A C 2.399 179.965 177.584 -0.030 0.000 1.193 413 A CA 1.946 53.957 52.037 -0.044 0.000 0.629 413 A CB -0.734 18.234 19.000 -0.053 0.000 0.826 413 A HN 0.337 nan 8.150 nan 0.000 0.447 414 R N -0.818 119.663 120.500 -0.031 0.000 2.081 414 R HA -0.095 4.245 4.340 0.000 0.000 0.235 414 R C 2.468 178.764 176.300 -0.007 0.000 1.131 414 R CA 1.248 57.337 56.100 -0.017 0.000 0.960 414 R CB -0.461 29.830 30.300 -0.016 0.000 0.856 414 R HN 0.537 nan 8.270 nan 0.000 0.436 415 A N 1.005 123.821 122.820 -0.007 0.000 1.969 415 A HA -0.134 4.186 4.320 0.000 0.000 0.218 415 A C 2.028 179.617 177.584 0.009 0.000 1.169 415 A CA 0.896 52.937 52.037 0.006 0.000 0.635 415 A CB -0.358 18.650 19.000 0.014 0.000 0.810 415 A HN 0.224 nan 8.150 nan 0.000 0.445 416 L N 0.003 121.226 121.223 0.001 0.000 2.083 416 L HA -0.191 4.149 4.340 0.000 0.000 0.209 416 L C 2.468 179.347 176.870 0.015 0.000 1.083 416 L CA 2.593 57.436 54.840 0.005 0.000 0.752 416 L CB -0.751 41.306 42.059 -0.004 0.000 0.899 416 L HN 0.639 nan 8.230 nan 0.000 0.433 417 Q N -1.122 118.683 119.800 0.008 0.000 2.020 417 Q HA -0.168 4.172 4.340 0.000 0.000 0.202 417 Q C 2.060 178.068 176.000 0.013 0.000 0.982 417 Q CA 2.506 58.314 55.803 0.009 0.000 0.838 417 Q CB -0.147 28.591 28.738 -0.000 0.000 0.899 417 Q HN 0.401 nan 8.270 nan 0.000 0.423 418 V N 0.806 120.727 119.914 0.012 0.000 2.287 418 V HA -0.287 3.833 4.120 0.000 0.000 0.248 418 V C 2.337 178.443 176.094 0.020 0.000 1.053 418 V CA 2.216 64.524 62.300 0.014 0.000 1.027 418 V CB -1.050 30.781 31.823 0.014 0.000 0.646 418 V HN 0.509 nan 8.190 nan 0.000 0.447 419 T N 0.413 114.981 114.554 0.024 0.000 2.652 419 T HA -0.172 4.178 4.350 0.000 0.000 0.267 419 T C 1.881 176.603 174.700 0.036 0.000 1.039 419 T CA 1.722 63.841 62.100 0.031 0.000 1.153 419 T CB -0.336 68.553 68.868 0.034 0.000 0.863 419 T HN 0.299 nan 8.240 nan 0.000 0.428 420 L N 1.002 122.249 121.223 0.040 0.000 2.141 420 L HA -0.045 4.295 4.340 0.000 0.000 0.209 420 L C 2.413 179.307 176.870 0.041 0.000 1.094 420 L CA 0.806 55.679 54.840 0.056 0.000 0.763 420 L CB -0.455 41.651 42.059 0.078 0.000 0.908 420 L HN 0.209 nan 8.230 nan 0.000 0.437 421 N N -0.361 118.355 118.700 0.026 0.000 2.459 421 N HA -0.180 4.560 4.740 0.000 0.000 0.181 421 N C 1.720 177.243 175.510 0.021 0.000 1.046 421 N CA 0.711 53.772 53.050 0.019 0.000 0.904 421 N CB 0.089 38.583 38.487 0.011 0.000 0.964 421 N HN 0.476 nan 8.380 nan 0.000 0.444 422 Q N 0.655 120.470 119.800 0.025 0.000 2.163 422 Q HA -0.134 4.206 4.340 0.000 0.000 0.198 422 Q C 1.673 177.690 176.000 0.029 0.000 0.954 422 Q CA 0.872 56.689 55.803 0.024 0.000 0.851 422 Q CB 0.154 28.907 28.738 0.024 0.000 0.928 422 Q HN 0.280 nan 8.270 nan 0.000 0.459 423 Q N -0.468 119.355 119.800 0.038 0.000 2.436 423 Q HA 0.039 4.379 4.340 0.000 0.000 0.209 423 Q C 1.217 177.244 176.000 0.044 0.000 0.965 423 Q CA 1.386 57.216 55.803 0.044 0.000 0.910 423 Q CB -0.644 28.128 28.738 0.056 0.000 0.980 423 Q HN 0.433 nan 8.270 nan 0.000 0.491 424 G N -0.260 108.563 108.800 0.038 0.000 2.291 424 G HA2 -0.356 3.604 3.960 0.000 0.000 0.287 424 G HA3 -0.356 3.604 3.960 0.000 0.000 0.287 424 G C 0.869 175.789 174.900 0.034 0.000 0.998 424 G CA 0.554 45.673 45.100 0.031 0.000 0.728 424 G HN 0.767 nan 8.290 nan 0.000 0.519 425 G N -0.198 108.633 108.800 0.052 0.000 2.443 425 G HA2 0.247 4.207 3.960 0.000 0.000 0.219 425 G HA3 0.247 4.207 3.960 0.000 0.000 0.219 425 G C 0.887 175.811 174.900 0.041 0.000 1.131 425 G CA 1.090 46.225 45.100 0.059 0.000 0.775 425 G HN 0.916 nan 8.290 nan 0.000 0.547 426 R N -0.767 119.746 120.500 0.022 0.000 2.752 426 R HA 0.487 4.828 4.340 0.000 0.000 0.271 426 R C -0.898 175.383 176.300 -0.032 0.000 1.026 426 R CA -0.497 55.593 56.100 -0.016 0.000 0.901 426 R CB 0.443 30.709 30.300 -0.057 0.000 1.243 426 R HN 0.083 nan 8.270 nan 0.000 0.463 427 S N 0.063 115.734 115.700 -0.047 0.000 2.580 427 S HA 0.430 4.900 4.470 0.000 0.000 0.274 427 S C 0.207 174.764 174.600 -0.072 0.000 1.329 427 S CA -0.693 57.480 58.200 -0.046 0.000 1.036 427 S CB 1.344 64.519 63.200 -0.042 0.000 0.919 427 S HN 0.346 nan 8.310 nan 0.000 0.515 428 V N 2.287 122.169 119.914 -0.055 0.000 2.448 428 V HA 0.512 4.633 4.120 0.000 0.000 0.295 428 V C -0.053 176.010 176.094 -0.051 0.000 1.025 428 V CA -0.621 61.641 62.300 -0.063 0.000 0.859 428 V CB 1.658 33.461 31.823 -0.034 0.000 0.988 428 V HN 0.978 nan 8.190 nan 0.000 0.431 429 S N 4.622 120.285 115.700 -0.061 0.000 2.449 429 S HA 0.653 5.124 4.470 0.000 0.000 0.310 429 S C -0.723 173.854 174.600 -0.037 0.000 1.096 429 S CA -0.371 57.802 58.200 -0.045 0.000 1.095 429 S CB 1.255 64.425 63.200 -0.049 0.000 1.007 429 S HN 0.564 nan 8.310 nan 0.000 0.474 430 L N 5.396 126.603 121.223 -0.027 0.000 2.287 430 L HA 0.557 4.897 4.340 0.000 0.000 0.287 430 L C -1.156 175.700 176.870 -0.024 0.000 1.022 430 L CA -0.150 54.675 54.840 -0.026 0.000 0.814 430 L CB 0.612 42.660 42.059 -0.019 0.000 1.217 430 L HN 0.621 nan 8.230 nan 0.000 0.420 431 L N 6.964 128.166 121.223 -0.036 0.000 2.506 431 L HA 0.355 4.695 4.340 0.000 0.000 0.247 431 L C -0.234 176.607 176.870 -0.047 0.000 1.141 431 L CA -0.380 54.440 54.840 -0.033 0.000 0.973 431 L CB 0.569 42.607 42.059 -0.035 0.000 1.319 431 L HN 0.554 nan 8.230 nan 0.000 0.455 432 L N 0.515 121.721 121.223 -0.027 0.000 2.473 432 L HA 0.163 4.504 4.340 0.000 0.000 0.268 432 L C 1.826 178.689 176.870 -0.011 0.000 1.215 432 L CA 0.322 55.147 54.840 -0.026 0.000 0.823 432 L CB 0.912 42.965 42.059 -0.010 0.000 1.099 432 L HN 0.549 nan 8.230 nan 0.000 0.483 433 G N 0.720 109.515 108.800 -0.008 0.000 2.529 433 G HA2 -0.326 3.634 3.960 0.000 0.000 0.219 433 G HA3 -0.326 3.634 3.960 0.000 0.000 0.219 433 G C 1.148 176.080 174.900 0.053 0.000 1.177 433 G CA 1.011 46.124 45.100 0.022 0.000 0.773 433 G HN 0.939 nan 8.290 nan 0.000 0.573 434 D N 0.004 120.439 120.400 0.058 0.000 2.097 434 D HA -0.114 4.527 4.640 0.000 0.000 0.195 434 D C 2.250 178.606 176.300 0.095 0.000 0.989 434 D CA 1.764 55.811 54.000 0.078 0.000 0.827 434 D CB -1.188 39.647 40.800 0.058 0.000 0.966 434 D HN 0.270 nan 8.370 nan 0.000 0.456 435 T N 1.153 115.752 114.554 0.074 0.000 2.635 435 T HA -0.139 4.211 4.350 0.000 0.000 0.267 435 T C 2.284 177.033 174.700 0.081 0.000 1.040 435 T CA 1.807 63.962 62.100 0.090 0.000 1.156 435 T CB -0.550 68.349 68.868 0.051 0.000 0.863 435 T HN 0.041 nan 8.240 nan 0.000 0.430 436 V N 1.197 121.141 119.914 0.050 0.000 2.282 436 V HA -0.206 3.914 4.120 0.000 0.000 0.249 436 V C 2.735 178.856 176.094 0.046 0.000 1.057 436 V CA 1.740 64.062 62.300 0.036 0.000 1.032 436 V CB -0.540 31.298 31.823 0.025 0.000 0.645 436 V HN 0.211 nan 8.190 nan 0.000 0.447 437 R N -0.625 119.918 120.500 0.072 0.000 2.081 437 R HA -0.156 4.184 4.340 0.000 0.000 0.235 437 R C 2.287 178.656 176.300 0.115 0.000 1.131 437 R CA 1.827 57.976 56.100 0.082 0.000 0.960 437 R CB -0.939 29.435 30.300 0.122 0.000 0.856 437 R HN 0.762 nan 8.270 nan 0.000 0.436 438 H N 0.419 119.506 119.070 0.028 0.000 2.333 438 H HA 0.058 4.614 4.556 0.000 0.000 0.302 438 H C 1.401 176.738 175.328 0.016 0.000 1.075 438 H CA 1.709 57.772 56.048 0.024 0.000 1.348 438 H CB 0.228 30.004 29.762 0.024 0.000 1.393 438 H HN 0.113 nan 8.280 nan 0.000 0.509 439 E N -0.069 120.048 120.200 -0.138 0.000 2.158 439 E HA 0.002 4.353 4.350 0.000 0.000 0.191 439 E C 1.892 178.431 176.600 -0.100 0.000 0.982 439 E CA 0.921 57.208 56.400 -0.189 0.000 0.823 439 E CB 0.425 30.070 29.700 -0.091 0.000 0.766 439 E HN 0.523 nan 8.360 nan 0.000 0.468 440 L N -1.065 120.132 121.223 -0.044 0.000 2.840 440 L HA 0.217 4.557 4.340 0.000 0.000 0.249 440 L C 0.982 177.836 176.870 -0.027 0.000 1.119 440 L CA 0.125 54.950 54.840 -0.024 0.000 0.930 440 L CB 0.730 42.794 42.059 0.009 0.000 1.295 440 L HN -0.198 nan 8.230 nan 0.000 0.534 441 S N -0.750 114.936 115.700 -0.024 0.000 2.902 441 S HA 0.033 4.503 4.470 0.000 0.000 0.250 441 S C 1.446 176.029 174.600 -0.029 0.000 1.046 441 S CA 0.210 58.387 58.200 -0.039 0.000 1.069 441 S CB 0.638 63.805 63.200 -0.054 0.000 0.967 441 S HN 0.360 nan 8.310 nan 0.000 0.530 442 S N 1.867 117.563 115.700 -0.006 0.000 2.440 442 S HA -0.099 4.371 4.470 0.000 0.000 0.240 442 S C 0.841 175.452 174.600 0.018 0.000 1.014 442 S CA 1.038 59.258 58.200 0.033 0.000 0.980 442 S CB -0.229 62.997 63.200 0.043 0.000 0.775 442 S HN 0.590 nan 8.310 nan 0.000 0.499 443 E N 0.236 120.428 120.200 -0.014 0.000 2.685 443 E HA 0.419 4.769 4.350 0.000 0.000 0.208 443 E C -0.594 175.978 176.600 -0.046 0.000 0.996 443 E CA -0.223 56.167 56.400 -0.017 0.000 1.054 443 E CB 0.516 30.209 29.700 -0.012 0.000 1.075 443 E HN 0.485 nan 8.360 nan 0.000 0.460 444 L N -0.287 120.884 121.223 -0.086 0.000 2.358 444 L HA 0.596 4.936 4.340 0.000 0.000 0.268 444 L C 0.844 177.583 176.870 -0.218 0.000 1.032 444 L CA -0.727 54.028 54.840 -0.142 0.000 0.805 444 L CB 1.426 43.379 42.059 -0.177 0.000 1.253 444 L HN 0.120 nan 8.230 nan 0.000 0.452 445 G N -0.460 108.196 108.800 -0.240 0.000 3.008 445 G HA2 0.420 4.380 3.960 0.000 0.000 0.181 445 G HA3 0.420 4.380 3.960 0.000 0.000 0.181 445 G C -0.683 173.860 174.900 -0.595 0.000 1.309 445 G CA -0.202 44.749 45.100 -0.248 0.000 1.009 445 G HN 0.420 nan 8.290 nan 0.000 0.584 446 F N 0.726 120.711 119.950 0.059 0.000 2.805 446 F HA 0.286 4.813 4.527 0.000 0.000 0.317 446 F C 1.349 177.199 175.800 0.084 0.000 1.146 446 F CA -0.508 57.537 58.000 0.075 0.000 1.265 446 F CB 0.537 39.585 39.000 0.081 0.000 0.992 446 F HN 0.388 nan 8.300 nan 0.000 0.511 447 T N -2.693 111.936 114.554 0.125 0.000 2.849 447 T HA 0.207 4.558 4.350 0.000 0.000 0.284 447 T C 1.693 176.429 174.700 0.060 0.000 1.004 447 T CA -0.561 61.596 62.100 0.095 0.000 1.021 447 T CB 1.356 70.246 68.868 0.037 0.000 1.013 447 T HN 0.146 nan 8.240 nan 0.000 0.527 448 R N 1.053 121.553 120.500 0.001 0.000 2.136 448 R HA -0.189 4.151 4.340 0.000 0.000 0.242 448 R C 2.236 178.454 176.300 -0.136 0.000 1.131 448 R CA 2.656 58.644 56.100 -0.188 0.000 0.937 448 R CB -0.812 29.294 30.300 -0.324 0.000 0.863 448 R HN 0.901 nan 8.270 nan 0.000 0.435 449 E N -0.090 120.050 120.200 -0.099 0.000 2.058 449 E HA -0.198 4.152 4.350 0.000 0.000 0.194 449 E C 1.812 178.399 176.600 -0.022 0.000 0.997 449 E CA 1.451 57.813 56.400 -0.063 0.000 0.801 449 E CB -0.177 29.486 29.700 -0.061 0.000 0.746 449 E HN 0.355 nan 8.360 nan 0.000 0.450 450 D N 0.358 120.736 120.400 -0.037 0.000 2.117 450 D HA -0.117 4.523 4.640 0.000 0.000 0.197 450 D C 2.028 178.282 176.300 -0.077 0.000 0.987 450 D CA 0.989 54.945 54.000 -0.074 0.000 0.829 450 D CB -0.120 40.612 40.800 -0.114 0.000 0.961 450 D HN 0.106 nan 8.370 nan 0.000 0.460 451 R N -0.541 119.950 120.500 -0.015 0.000 2.092 451 R HA -0.128 4.212 4.340 0.000 0.000 0.231 451 R C 2.258 178.594 176.300 0.061 0.000 1.119 451 R CA 1.039 57.166 56.100 0.044 0.000 0.970 451 R CB -0.399 30.024 30.300 0.206 0.000 0.864 451 R HN 0.307 nan 8.270 nan 0.000 0.440 452 H N 0.466 119.514 119.070 -0.037 0.000 2.353 452 H HA -0.065 4.491 4.556 0.000 0.000 0.300 452 H C 1.718 176.969 175.328 -0.128 0.000 1.090 452 H CA 2.161 58.160 56.048 -0.081 0.000 1.327 452 H CB -0.139 29.531 29.762 -0.153 0.000 1.383 452 H HN -0.004 nan 8.280 nan 0.000 0.508 453 T N 0.218 114.673 114.554 -0.165 0.000 2.746 453 T HA -0.206 4.144 4.350 0.000 0.000 0.267 453 T C 1.944 176.538 174.700 -0.176 0.000 1.039 453 T CA 1.342 63.316 62.100 -0.211 0.000 1.142 453 T CB -0.414 68.381 68.868 -0.123 0.000 0.866 453 T HN 0.540 nan 8.240 nan 0.000 0.444 454 N N 0.692 119.324 118.700 -0.114 0.000 2.104 454 N HA -0.140 4.600 4.740 0.000 0.000 0.190 454 N C 1.709 177.209 175.510 -0.017 0.000 1.024 454 N CA 1.150 54.162 53.050 -0.064 0.000 0.853 454 N CB -0.052 38.400 38.487 -0.059 0.000 1.008 454 N HN 0.201 nan 8.380 nan 0.000 0.424 455 I N 1.585 122.144 120.570 -0.019 0.000 2.315 455 I HA -0.180 3.990 4.170 0.000 0.000 0.248 455 I C 2.298 178.462 176.117 0.078 0.000 1.117 455 I CA 1.073 62.427 61.300 0.091 0.000 1.404 455 I CB -1.330 36.750 38.000 0.133 0.000 1.071 455 I HN 0.283 nan 8.210 nan 0.000 0.419 456 Q N 0.124 119.820 119.800 -0.174 0.000 2.170 456 Q HA -0.214 4.126 4.340 0.000 0.000 0.203 456 Q C 2.348 178.431 176.000 0.139 0.000 0.976 456 Q CA 1.348 57.077 55.803 -0.122 0.000 0.858 456 Q CB -0.206 28.149 28.738 -0.638 0.000 0.907 456 Q HN 0.415 nan 8.270 nan 0.000 0.433 457 R N 0.607 121.139 120.500 0.053 0.000 2.090 457 R HA -0.067 4.273 4.340 0.000 0.000 0.228 457 R C 2.054 178.470 176.300 0.193 0.000 1.110 457 R CA 0.894 57.060 56.100 0.109 0.000 0.973 457 R CB -0.006 30.309 30.300 0.026 0.000 0.869 457 R HN 0.227 nan 8.270 nan 0.000 0.440 458 I N 0.384 121.057 120.570 0.171 0.000 2.252 458 I HA -0.197 3.973 4.170 0.000 0.000 0.245 458 I C 2.477 178.739 176.117 0.243 0.000 1.102 458 I CA 1.087 62.495 61.300 0.180 0.000 1.385 458 I CB -0.344 37.756 38.000 0.167 0.000 1.064 458 I HN 0.264 nan 8.210 nan 0.000 0.414 459 A N 0.943 123.953 122.820 0.317 0.000 1.883 459 A HA -0.274 4.046 4.320 0.000 0.000 0.217 459 A C 2.235 179.954 177.584 0.226 0.000 1.186 459 A CA 1.571 53.787 52.037 0.298 0.000 0.624 459 A CB -1.014 18.177 19.000 0.320 0.000 0.822 459 A HN 0.441 nan 8.150 nan 0.000 0.444 460 F N 0.897 120.934 119.950 0.145 0.000 2.046 460 F HA -0.200 4.328 4.527 0.000 0.000 0.297 460 F C 2.285 178.125 175.800 0.068 0.000 1.123 460 F CA 2.243 60.300 58.000 0.095 0.000 1.199 460 F CB -0.617 38.435 39.000 0.087 0.000 0.972 460 F HN 0.028 nan 8.300 nan 0.000 0.474 461 V N 0.710 120.646 119.914 0.037 0.000 2.332 461 V HA -0.319 3.801 4.120 0.000 0.000 0.248 461 V C 2.770 178.805 176.094 -0.098 0.000 1.055 461 V CA 1.893 64.139 62.300 -0.089 0.000 1.038 461 V CB -1.672 30.189 31.823 0.063 0.000 0.651 461 V HN 0.538 nan 8.190 nan 0.000 0.450 462 A N -0.449 122.375 122.820 0.006 0.000 1.902 462 A HA -0.238 4.082 4.320 0.000 0.000 0.217 462 A C 2.387 179.965 177.584 -0.010 0.000 1.181 462 A CA 2.529 54.586 52.037 0.033 0.000 0.623 462 A CB -0.962 18.128 19.000 0.150 0.000 0.818 462 A HN 0.503 nan 8.150 nan 0.000 0.443 463 T N -0.216 114.310 114.554 -0.047 0.000 2.821 463 T HA -0.088 4.262 4.350 0.000 0.000 0.267 463 T C 1.814 176.428 174.700 -0.143 0.000 1.046 463 T CA 1.413 63.467 62.100 -0.077 0.000 1.139 463 T CB -0.168 68.650 68.868 -0.084 0.000 0.871 463 T HN 0.447 nan 8.240 nan 0.000 0.454 464 E N 1.020 121.062 120.200 -0.262 0.000 2.072 464 E HA 0.042 4.392 4.350 0.000 0.000 0.190 464 E C 2.290 178.806 176.600 -0.140 0.000 0.982 464 E CA 0.652 56.906 56.400 -0.243 0.000 0.803 464 E CB -0.368 29.113 29.700 -0.366 0.000 0.755 464 E HN 0.455 nan 8.360 nan 0.000 0.453 465 L N 0.528 121.679 121.223 -0.120 0.000 2.056 465 L HA -0.139 4.201 4.340 0.000 0.000 0.207 465 L C 2.533 179.358 176.870 -0.075 0.000 1.078 465 L CA 1.326 56.114 54.840 -0.087 0.000 0.749 465 L CB -0.618 41.395 42.059 -0.077 0.000 0.901 465 L HN 0.084 nan 8.230 nan 0.000 0.433 466 T N -0.781 113.739 114.554 -0.056 0.000 2.720 466 T HA -0.265 4.085 4.350 0.000 0.000 0.268 466 T C 2.008 176.697 174.700 -0.019 0.000 1.037 466 T CA 1.534 63.616 62.100 -0.030 0.000 1.144 466 T CB -0.233 68.651 68.868 0.027 0.000 0.864 466 T HN 0.257 nan 8.240 nan 0.000 0.444 467 R N 0.982 121.464 120.500 -0.030 0.000 2.096 467 R HA 0.007 4.347 4.340 0.000 0.000 0.235 467 R C 2.167 178.452 176.300 -0.026 0.000 1.127 467 R CA 1.348 57.435 56.100 -0.022 0.000 0.968 467 R CB -0.330 29.948 30.300 -0.037 0.000 0.861 467 R HN 0.347 nan 8.270 nan 0.000 0.440 468 A N -0.336 122.457 122.820 -0.044 0.000 2.252 468 A HA 0.203 4.523 4.320 0.000 0.000 0.207 468 A C 1.221 178.782 177.584 -0.038 0.000 1.194 468 A CA 0.700 52.712 52.037 -0.042 0.000 0.809 468 A CB -0.332 18.636 19.000 -0.052 0.000 0.814 468 A HN 0.610 nan 8.150 nan 0.000 0.482 469 G N -2.175 106.604 108.800 -0.034 0.000 2.136 469 G HA2 0.086 4.046 3.960 0.000 0.000 0.242 469 G HA3 0.086 4.046 3.960 0.000 0.000 0.242 469 G C 0.431 175.279 174.900 -0.087 0.000 0.989 469 G CA 0.374 45.455 45.100 -0.032 0.000 0.682 469 G HN 1.528 nan 8.290 nan 0.000 0.522 470 A N -0.385 122.361 122.820 -0.123 0.000 2.272 470 A HA 0.925 5.246 4.320 0.000 0.000 0.275 470 A C 0.728 178.092 177.584 -0.366 0.000 1.096 470 A CA 0.614 52.541 52.037 -0.184 0.000 0.822 470 A CB 0.893 19.812 19.000 -0.134 0.000 1.088 470 A HN 2.053 nan 8.150 nan 0.000 0.495 471 A N 0.447 123.013 122.820 -0.423 0.000 2.258 471 A HA 0.572 4.892 4.320 0.000 0.000 0.316 471 A C -0.606 176.793 177.584 -0.307 0.000 1.279 471 A CA -0.386 51.221 52.037 -0.717 0.000 0.876 471 A CB 0.171 18.827 19.000 -0.573 0.000 1.170 471 A HN 0.910 nan 8.150 nan 0.000 0.520 472 V N 4.398 124.182 119.914 -0.217 0.000 2.398 472 V HA 0.388 4.508 4.120 0.000 0.000 0.286 472 V C -0.198 175.892 176.094 -0.006 0.000 1.026 472 V CA -0.149 62.108 62.300 -0.071 0.000 0.868 472 V CB 1.105 32.913 31.823 -0.025 0.000 0.982 472 V HN 0.725 nan 8.190 nan 0.000 0.443 473 I N 4.436 124.994 120.570 -0.019 0.000 2.382 473 I HA 0.715 4.886 4.170 0.000 0.000 0.285 473 I C 0.230 176.303 176.117 -0.072 0.000 1.007 473 I CA -0.378 60.909 61.300 -0.022 0.000 1.142 473 I CB 1.602 39.594 38.000 -0.015 0.000 1.289 473 I HN 0.672 nan 8.210 nan 0.000 0.453 474 A N 4.926 127.662 122.820 -0.141 0.000 2.342 474 A HA 0.883 5.203 4.320 0.000 0.000 0.323 474 A C -0.040 177.346 177.584 -0.330 0.000 1.125 474 A CA -0.526 51.356 52.037 -0.258 0.000 0.785 474 A CB 1.458 20.216 19.000 -0.403 0.000 1.221 474 A HN 0.805 nan 8.150 nan 0.000 0.463 475 A N 3.793 126.472 122.820 -0.236 0.000 3.253 475 A HA 0.626 4.946 4.320 0.000 0.000 0.290 475 A C -2.532 174.981 177.584 -0.119 0.000 0.950 475 A CA -1.144 50.791 52.037 -0.171 0.000 0.986 475 A CB -0.009 18.935 19.000 -0.094 0.000 1.104 475 A HN 0.585 nan 8.150 nan 0.000 0.481 476 P HA 0.367 nan 4.420 nan 0.000 0.282 476 P C 0.914 178.245 177.300 0.052 0.000 1.287 476 P CA -0.468 62.612 63.100 -0.034 0.000 0.792 476 P CB 1.170 32.849 31.700 -0.035 0.000 1.163 477 I N -0.167 120.469 120.570 0.111 0.000 2.277 477 I HA -0.069 4.101 4.170 0.000 0.000 0.243 477 I C 1.050 177.308 176.117 0.235 0.000 1.094 477 I CA 1.141 62.533 61.300 0.154 0.000 1.393 477 I CB -0.755 37.319 38.000 0.124 0.000 1.078 477 I HN 0.420 nan 8.210 nan 0.000 0.417 478 A N 1.045 123.996 122.820 0.219 0.000 2.303 478 A HA -0.143 4.177 4.320 0.000 0.000 0.286 478 A C -1.513 176.105 177.584 0.057 0.000 1.429 478 A CA 0.250 52.427 52.037 0.233 0.000 0.738 478 A CB -1.800 17.455 19.000 0.426 0.000 1.149 478 A HN 0.281 nan 8.150 nan 0.000 0.364 479 P HA -0.004 nan 4.420 nan 0.000 0.223 479 P C 0.131 176.985 177.300 -0.743 0.000 1.151 479 P CA 1.351 64.171 63.100 -0.467 0.000 0.787 479 P CB 0.036 31.454 31.700 -0.469 0.000 0.788 480 Y N -1.083 119.153 120.300 -0.107 0.000 2.377 480 Y HA 0.248 4.798 4.550 0.000 0.000 0.339 480 Y C 1.761 177.609 175.900 -0.086 0.000 1.011 480 Y CA -0.824 57.217 58.100 -0.098 0.000 1.093 480 Y CB 1.200 39.644 38.460 -0.025 0.000 1.201 480 Y HN -0.281 nan 8.280 nan 0.000 0.455 481 E N 1.604 121.829 120.200 0.042 0.000 2.085 481 E HA -0.242 4.109 4.350 0.000 0.000 0.194 481 E C 1.759 178.384 176.600 0.041 0.000 0.994 481 E CA 1.894 58.292 56.400 -0.004 0.000 0.801 481 E CB 0.080 29.767 29.700 -0.022 0.000 0.743 481 E HN 0.825 nan 8.360 nan 0.000 0.453 482 E N -0.513 119.730 120.200 0.072 0.000 2.070 482 E HA -0.197 4.153 4.350 0.000 0.000 0.197 482 E C 2.001 178.711 176.600 0.183 0.000 1.004 482 E CA 1.497 57.933 56.400 0.059 0.000 0.805 482 E CB -0.065 29.600 29.700 -0.059 0.000 0.744 482 E HN 0.227 nan 8.360 nan 0.000 0.451 483 S N 0.319 116.177 115.700 0.264 0.000 2.343 483 S HA -0.141 4.330 4.470 0.000 0.000 0.219 483 S C 1.854 176.538 174.600 0.140 0.000 1.033 483 S CA 1.118 59.496 58.200 0.296 0.000 1.014 483 S CB -0.266 63.103 63.200 0.282 0.000 0.915 483 S HN 0.277 nan 8.310 nan 0.000 0.435 484 R N 1.327 121.847 120.500 0.032 0.000 2.091 484 R HA -0.105 4.235 4.340 0.000 0.000 0.238 484 R C 2.450 178.626 176.300 -0.206 0.000 1.136 484 R CA 1.371 57.376 56.100 -0.158 0.000 0.959 484 R CB -0.314 29.913 30.300 -0.123 0.000 0.856 484 R HN 0.367 nan 8.270 nan 0.000 0.437 485 K N 0.444 120.790 120.400 -0.090 0.000 2.057 485 K HA -0.188 4.132 4.320 0.000 0.000 0.207 485 K C 1.947 178.459 176.600 -0.146 0.000 1.049 485 K CA 1.360 57.572 56.287 -0.124 0.000 0.931 485 K CB -0.181 32.295 32.500 -0.041 0.000 0.714 485 K HN 0.065 nan 8.250 nan 0.000 0.440 486 F N 1.310 121.182 119.950 -0.131 0.000 2.102 486 F HA -0.188 4.339 4.527 0.000 0.000 0.298 486 F C 2.075 177.750 175.800 -0.208 0.000 1.105 486 F CA 1.739 59.674 58.000 -0.108 0.000 1.239 486 F CB -0.513 38.482 39.000 -0.007 0.000 0.991 486 F HN 0.100 nan 8.300 nan 0.000 0.474 487 A N 0.668 123.404 122.820 -0.139 0.000 1.908 487 A HA -0.239 4.081 4.320 0.000 0.000 0.218 487 A C 2.387 179.499 177.584 -0.787 0.000 1.181 487 A CA 1.847 53.715 52.037 -0.282 0.000 0.627 487 A CB -0.965 17.936 19.000 -0.165 0.000 0.818 487 A HN 0.511 nan 8.150 nan 0.000 0.445 488 R N -0.362 119.399 120.500 -1.231 0.000 2.083 488 R HA -0.180 4.160 4.340 0.000 0.000 0.237 488 R C 1.377 177.207 176.300 -0.785 0.000 1.137 488 R CA 1.987 57.091 56.100 -1.659 0.000 0.951 488 R CB -0.373 29.231 30.300 -1.159 0.000 0.851 488 R HN 0.477 nan 8.270 nan 0.000 0.434 489 D N 0.279 120.339 120.400 -0.567 0.000 2.117 489 D HA -0.098 4.542 4.640 0.000 0.000 0.198 489 D C 1.789 177.848 176.300 -0.402 0.000 0.982 489 D CA 1.379 55.134 54.000 -0.408 0.000 0.828 489 D CB -0.304 40.290 40.800 -0.343 0.000 0.967 489 D HN 0.395 nan 8.370 nan 0.000 0.464 490 A N 0.882 123.374 122.820 -0.547 0.000 1.865 490 A HA -0.159 4.161 4.320 0.000 0.000 0.217 490 A C 2.549 180.007 177.584 -0.210 0.000 1.191 490 A CA 1.507 53.300 52.037 -0.408 0.000 0.623 490 A CB -0.855 17.867 19.000 -0.462 0.000 0.826 490 A HN 0.149 nan 8.150 nan 0.000 0.444 491 V N 0.155 119.958 119.914 -0.185 0.000 2.427 491 V HA -0.194 3.926 4.120 0.000 0.000 0.248 491 V C 2.689 178.767 176.094 -0.026 0.000 1.051 491 V CA 2.137 64.417 62.300 -0.034 0.000 1.048 491 V CB -0.804 31.109 31.823 0.150 0.000 0.666 491 V HN 0.564 nan 8.190 nan 0.000 0.456 492 S N -0.204 115.438 115.700 -0.096 0.000 2.419 492 S HA -0.238 4.232 4.470 0.000 0.000 0.235 492 S C 1.915 176.495 174.600 -0.034 0.000 1.019 492 S CA 1.072 59.239 58.200 -0.056 0.000 0.982 492 S CB -0.337 62.797 63.200 -0.109 0.000 0.789 492 S HN 0.595 nan 8.310 nan 0.000 0.490 493 Q N 0.558 120.325 119.800 -0.056 0.000 2.364 493 Q HA 0.090 4.430 4.340 0.000 0.000 0.209 493 Q C 1.770 177.767 176.000 -0.004 0.000 0.977 493 Q CA 1.188 56.972 55.803 -0.032 0.000 0.885 493 Q CB -0.378 28.335 28.738 -0.043 0.000 0.941 493 Q HN 0.659 nan 8.270 nan 0.000 0.464 494 A N -1.150 121.673 122.820 0.006 0.000 2.456 494 A HA 0.566 4.887 4.320 0.000 0.000 0.237 494 A C 0.813 178.432 177.584 0.058 0.000 1.217 494 A CA 0.662 52.713 52.037 0.023 0.000 0.962 494 A CB 0.847 19.849 19.000 0.003 0.000 1.079 494 A HN 0.346 nan 8.150 nan 0.000 0.536 495 G N -1.222 107.628 108.800 0.082 0.000 2.335 495 G HA2 0.423 4.384 3.960 0.000 0.000 0.291 495 G HA3 0.423 4.384 3.960 0.000 0.000 0.291 495 G C -1.011 173.988 174.900 0.166 0.000 1.261 495 G CA 0.101 45.291 45.100 0.152 0.000 0.871 495 G HN 0.294 nan 8.290 nan 0.000 0.491 496 S N -0.629 115.222 115.700 0.252 0.000 2.610 496 S HA 0.696 5.166 4.470 0.000 0.000 0.273 496 S C -1.128 173.483 174.600 0.019 0.000 1.274 496 S CA -0.202 58.058 58.200 0.101 0.000 1.023 496 S CB 1.314 64.596 63.200 0.137 0.000 0.962 496 S HN 0.683 nan 8.310 nan 0.000 0.523 497 F N 2.273 121.999 119.950 -0.374 0.000 2.507 497 F HA 0.668 5.195 4.527 0.000 0.000 0.325 497 F C -1.757 173.675 175.800 -0.613 0.000 1.116 497 F CA -1.084 56.735 58.000 -0.300 0.000 0.930 497 F CB 0.761 39.655 39.000 -0.176 0.000 1.146 497 F HN 0.456 nan 8.300 nan 0.000 0.447 498 F N 6.819 126.438 119.950 -0.551 0.000 2.518 498 F HA 0.510 5.038 4.527 0.000 0.000 0.323 498 F C -1.043 174.447 175.800 -0.516 0.000 1.129 498 F CA -1.006 56.769 58.000 -0.376 0.000 0.920 498 F CB 1.818 40.646 39.000 -0.286 0.000 1.160 498 F HN 0.296 nan 8.300 nan 0.000 0.440 499 L N 4.825 125.998 121.223 -0.082 0.000 2.272 499 L HA 0.703 5.043 4.340 0.000 0.000 0.289 499 L C -1.043 175.890 176.870 0.106 0.000 1.032 499 L CA -0.466 54.383 54.840 0.013 0.000 0.810 499 L CB 1.155 43.304 42.059 0.150 0.000 1.205 499 L HN 0.387 nan 8.230 nan 0.000 0.422 500 V N 5.266 125.254 119.914 0.124 0.000 2.378 500 V HA 0.261 4.382 4.120 0.000 0.000 0.288 500 V C -0.201 176.013 176.094 0.200 0.000 1.016 500 V CA -0.617 61.757 62.300 0.122 0.000 0.840 500 V CB 1.082 32.942 31.823 0.061 0.000 0.994 500 V HN 0.765 nan 8.190 nan 0.000 0.431 501 H N 4.672 123.793 119.070 0.085 0.000 2.846 501 H HA 0.385 4.941 4.556 0.000 0.000 0.278 501 H C -0.626 174.740 175.328 0.063 0.000 1.117 501 H CA -0.745 55.362 56.048 0.097 0.000 1.406 501 H CB 1.322 31.145 29.762 0.101 0.000 1.445 501 H HN 0.480 nan 8.280 nan 0.000 0.469 502 V N 6.349 126.375 119.914 0.187 0.000 2.229 502 V HA 0.035 4.155 4.120 0.000 0.000 0.245 502 V C 1.191 177.230 176.094 -0.091 0.000 1.243 502 V CA 0.445 62.756 62.300 0.020 0.000 1.176 502 V CB -0.147 31.703 31.823 0.044 0.000 1.323 502 V HN 0.898 nan 8.190 nan 0.000 0.499 503 A N 3.301 125.842 122.820 -0.464 0.000 2.236 503 A HA 0.090 4.410 4.320 0.000 0.000 0.214 503 A C 1.197 178.702 177.584 -0.132 0.000 1.287 503 A CA -0.028 51.671 52.037 -0.565 0.000 0.909 503 A CB -0.794 17.746 19.000 -0.767 0.000 0.839 503 A HN 0.617 nan 8.150 nan 0.000 0.486 504 T N 3.236 117.783 114.554 -0.012 0.000 2.905 504 T HA 0.231 4.582 4.350 0.000 0.000 0.299 504 T C -2.386 172.403 174.700 0.147 0.000 1.024 504 T CA -0.112 62.036 62.100 0.079 0.000 1.151 504 T CB 0.249 69.231 68.868 0.190 0.000 0.987 504 T HN 0.252 nan 8.240 nan 0.000 0.535 505 P HA 0.103 nan 4.420 nan 0.000 0.268 505 P C 0.985 178.360 177.300 0.125 0.000 1.205 505 P CA -0.563 62.625 63.100 0.147 0.000 0.771 505 P CB 0.482 32.234 31.700 0.086 0.000 0.858 506 L N 4.008 125.251 121.223 0.034 0.000 1.997 506 L HA -0.298 4.043 4.340 0.000 0.000 0.216 506 L C 1.812 178.518 176.870 -0.272 0.000 1.074 506 L CA 2.206 56.858 54.840 -0.313 0.000 0.763 506 L CB -1.252 40.495 42.059 -0.521 0.000 0.890 506 L HN 0.342 nan 8.230 nan 0.000 0.434 507 E N -1.392 118.715 120.200 -0.156 0.000 2.086 507 E HA -0.326 4.025 4.350 0.000 0.000 0.200 507 E C 2.155 178.669 176.600 -0.142 0.000 1.012 507 E CA 1.854 58.168 56.400 -0.144 0.000 0.812 507 E CB -0.617 29.045 29.700 -0.064 0.000 0.743 507 E HN 0.744 nan 8.360 nan 0.000 0.453 508 H N -0.186 118.824 119.070 -0.101 0.000 2.319 508 H HA -0.111 4.445 4.556 0.000 0.000 0.299 508 H C 1.783 177.068 175.328 -0.072 0.000 1.092 508 H CA 1.966 57.975 56.048 -0.065 0.000 1.302 508 H CB -0.414 29.336 29.762 -0.021 0.000 1.373 508 H HN 0.248 nan 8.280 nan 0.000 0.497 509 C N 0.766 120.007 119.300 -0.098 0.000 2.413 509 C HA -0.129 4.332 4.460 0.000 0.000 0.276 509 C C 2.587 177.370 174.990 -0.346 0.000 1.236 509 C CA 1.304 60.246 59.018 -0.127 0.000 1.735 509 C CB -0.738 26.958 27.740 -0.075 0.000 2.031 509 C HN 0.695 nan 8.230 nan 0.000 0.474 510 E N 0.261 120.091 120.200 -0.616 0.000 2.031 510 E HA -0.239 4.111 4.350 0.000 0.000 0.193 510 E C 2.313 178.754 176.600 -0.264 0.000 0.994 510 E CA 1.064 57.104 56.400 -0.600 0.000 0.800 510 E CB -0.363 29.004 29.700 -0.556 0.000 0.752 510 E HN 0.660 nan 8.360 nan 0.000 0.447 511 Q N 0.269 119.918 119.800 -0.251 0.000 2.152 511 Q HA -0.157 4.183 4.340 0.000 0.000 0.206 511 Q C 2.282 178.179 176.000 -0.172 0.000 0.985 511 Q CA 1.841 57.531 55.803 -0.189 0.000 0.863 511 Q CB -0.074 28.547 28.738 -0.195 0.000 0.904 511 Q HN 0.228 nan 8.270 nan 0.000 0.422 512 S N -0.103 115.459 115.700 -0.230 0.000 2.558 512 S HA -0.043 4.427 4.470 0.000 0.000 0.217 512 S C 0.477 175.059 174.600 -0.031 0.000 0.975 512 S CA -0.179 57.934 58.200 -0.145 0.000 0.912 512 S CB 0.102 63.183 63.200 -0.199 0.000 0.776 512 S HN 0.166 nan 8.310 nan 0.000 0.526 513 D N 2.492 122.889 120.400 -0.005 0.000 2.472 513 D HA 0.067 4.707 4.640 0.000 0.000 0.248 513 D C 0.209 176.534 176.300 0.042 0.000 1.174 513 D CA 0.502 54.552 54.000 0.083 0.000 0.883 513 D CB 0.603 41.521 40.800 0.196 0.000 1.149 513 D HN 0.349 nan 8.370 nan 0.000 0.488 514 K N 3.078 123.503 120.400 0.043 0.000 2.440 514 K HA 0.219 4.539 4.320 0.000 0.000 0.206 514 K C 1.043 177.652 176.600 0.016 0.000 1.025 514 K CA -0.132 56.168 56.287 0.023 0.000 1.135 514 K CB 0.991 33.505 32.500 0.024 0.000 0.856 514 K HN 0.233 nan 8.250 nan 0.000 0.502 515 R N -0.511 120.000 120.500 0.018 0.000 2.509 515 R HA 0.108 4.448 4.340 0.000 0.000 0.297 515 R C 0.588 176.873 176.300 -0.026 0.000 0.951 515 R CA 0.381 56.478 56.100 -0.003 0.000 1.103 515 R CB 1.201 31.500 30.300 -0.003 0.000 1.283 515 R HN 0.288 nan 8.270 nan 0.000 0.534 516 G N 1.786 110.576 108.800 -0.017 0.000 2.168 516 G HA2 -0.289 3.671 3.960 0.000 0.000 0.257 516 G HA3 -0.289 3.671 3.960 0.000 0.000 0.257 516 G C 0.700 175.537 174.900 -0.104 0.000 0.997 516 G CA 0.509 45.584 45.100 -0.041 0.000 0.708 516 G HN 0.296 nan 8.290 nan 0.000 0.520 517 I N -1.356 119.126 120.570 -0.146 0.000 2.353 517 I HA -0.024 4.146 4.170 0.000 0.000 0.248 517 I C 2.378 178.171 176.117 -0.539 0.000 1.119 517 I CA 1.066 62.151 61.300 -0.358 0.000 1.417 517 I CB -0.283 37.486 38.000 -0.384 0.000 1.078 517 I HN 0.276 nan 8.210 nan 0.000 0.421 518 Y N 0.701 120.832 120.300 -0.282 0.000 2.242 518 Y HA -0.206 4.344 4.550 0.000 0.000 0.291 518 Y C 2.614 178.390 175.900 -0.206 0.000 1.137 518 Y CA 1.249 59.204 58.100 -0.243 0.000 1.181 518 Y CB -0.407 38.003 38.460 -0.083 0.000 0.989 518 Y HN 0.116 nan 8.280 nan 0.000 0.527 519 A N 0.163 122.972 122.820 -0.019 0.000 1.858 519 A HA -0.196 4.124 4.320 0.000 0.000 0.216 519 A C 2.433 179.962 177.584 -0.092 0.000 1.190 519 A CA 1.960 53.973 52.037 -0.040 0.000 0.617 519 A CB -1.372 17.607 19.000 -0.035 0.000 0.827 519 A HN 0.410 nan 8.150 nan 0.000 0.443 520 A N -0.162 122.570 122.820 -0.146 0.000 1.883 520 A HA 0.091 4.411 4.320 0.000 0.000 0.217 520 A C 2.529 180.002 177.584 -0.186 0.000 1.186 520 A CA 2.453 54.395 52.037 -0.158 0.000 0.624 520 A CB -1.153 17.736 19.000 -0.185 0.000 0.822 520 A HN 1.189 nan 8.150 nan 0.000 0.444 521 A N -0.859 121.774 122.820 -0.311 0.000 1.972 521 A HA -0.161 4.159 4.320 0.000 0.000 0.219 521 A C 2.210 179.732 177.584 -0.104 0.000 1.169 521 A CA 1.479 53.345 52.037 -0.286 0.000 0.635 521 A CB -0.444 18.197 19.000 -0.598 0.000 0.810 521 A HN 0.405 nan 8.150 nan 0.000 0.446 522 R N 0.061 120.519 120.500 -0.070 0.000 2.092 522 R HA -0.102 4.238 4.340 0.000 0.000 0.231 522 R C 1.693 177.982 176.300 -0.018 0.000 1.119 522 R CA 1.579 57.673 56.100 -0.011 0.000 0.970 522 R CB -0.434 29.866 30.300 0.001 0.000 0.864 522 R HN 0.802 nan 8.270 nan 0.000 0.440 523 R N -0.247 120.230 120.500 -0.037 0.000 2.449 523 R HA 0.193 4.534 4.340 0.000 0.000 0.262 523 R C 0.680 176.962 176.300 -0.029 0.000 1.006 523 R CA 0.625 56.707 56.100 -0.029 0.000 1.104 523 R CB 0.007 30.288 30.300 -0.031 0.000 1.206 523 R HN 0.160 nan 8.270 nan 0.000 0.538 524 G N 1.379 110.161 108.800 -0.030 0.000 2.189 524 G HA2 -0.344 3.616 3.960 0.000 0.000 0.267 524 G HA3 -0.344 3.616 3.960 0.000 0.000 0.267 524 G C 0.590 175.470 174.900 -0.033 0.000 0.975 524 G CA 0.588 45.675 45.100 -0.022 0.000 0.644 524 G HN 0.576 nan 8.290 nan 0.000 0.537 525 E N -0.563 119.602 120.200 -0.057 0.000 2.418 525 E HA 0.165 4.515 4.350 0.000 0.000 0.197 525 E C 0.819 177.375 176.600 -0.073 0.000 1.026 525 E CA 0.653 57.016 56.400 -0.062 0.000 0.862 525 E CB 0.243 29.896 29.700 -0.078 0.000 0.799 525 E HN 0.671 nan 8.360 nan 0.000 0.518 526 I N 0.934 121.451 120.570 -0.088 0.000 2.571 526 I HA 0.175 4.345 4.170 0.000 0.000 0.289 526 I C -0.238 175.865 176.117 -0.023 0.000 1.115 526 I CA -0.830 60.420 61.300 -0.085 0.000 1.045 526 I CB 2.247 40.126 38.000 -0.201 0.000 1.238 526 I HN -0.194 nan 8.210 nan 0.000 0.424 527 K N 3.718 124.129 120.400 0.018 0.000 2.126 527 K HA 0.326 4.646 4.320 0.000 0.000 0.257 527 K C 0.888 177.544 176.600 0.093 0.000 1.007 527 K CA 0.161 56.481 56.287 0.056 0.000 0.928 527 K CB 1.071 33.611 32.500 0.067 0.000 1.013 527 K HN 0.859 nan 8.250 nan 0.000 0.473 528 G N 3.396 112.261 108.800 0.108 0.000 2.318 528 G HA2 -0.280 3.680 3.960 0.000 0.000 0.272 528 G HA3 -0.280 3.680 3.960 0.000 0.000 0.272 528 G C -0.274 174.714 174.900 0.146 0.000 0.845 528 G CA 0.375 45.554 45.100 0.131 0.000 1.153 528 G HN 0.487 nan 8.290 nan 0.000 0.460 529 F N 1.675 121.608 119.950 -0.029 0.000 2.427 529 F HA 0.409 4.936 4.527 0.000 0.000 0.352 529 F C 1.359 177.164 175.800 0.008 0.000 1.100 529 F CA -0.357 57.595 58.000 -0.080 0.000 1.191 529 F CB 0.679 39.592 39.000 -0.145 0.000 1.128 529 F HN 0.147 nan 8.300 nan 0.000 0.533 530 T N 5.256 119.564 114.554 -0.410 0.000 2.905 530 T HA 0.333 4.683 4.350 0.000 0.000 0.299 530 T C 1.098 175.826 174.700 0.047 0.000 1.024 530 T CA 1.173 63.195 62.100 -0.129 0.000 1.151 530 T CB 0.153 68.949 68.868 -0.120 0.000 0.987 530 T HN 1.094 nan 8.240 nan 0.000 0.535 531 G N 1.946 110.872 108.800 0.209 0.000 2.363 531 G HA2 -0.316 3.644 3.960 0.000 0.000 0.238 531 G HA3 -0.316 3.644 3.960 0.000 0.000 0.238 531 G C 0.890 175.860 174.900 0.118 0.000 1.062 531 G CA 0.337 45.510 45.100 0.122 0.000 0.629 531 G HN 0.632 nan 8.290 nan 0.000 0.514 532 V N 0.445 120.479 119.914 0.200 0.000 2.502 532 V HA 0.198 4.319 4.120 0.000 0.000 0.234 532 V C 1.725 177.904 176.094 0.141 0.000 1.072 532 V CA 2.103 64.515 62.300 0.187 0.000 1.094 532 V CB -0.131 31.847 31.823 0.258 0.000 0.761 532 V HN 0.349 nan 8.190 nan 0.000 0.489 533 D N -0.975 119.517 120.400 0.153 0.000 2.469 533 D HA 0.228 4.868 4.640 0.000 0.000 0.213 533 D C -0.375 175.999 176.300 0.122 0.000 1.135 533 D CA 0.193 54.266 54.000 0.121 0.000 0.834 533 D CB 1.338 42.205 40.800 0.111 0.000 1.009 533 D HN 0.312 nan 8.370 nan 0.000 0.507 534 D N 0.804 121.280 120.400 0.128 0.000 2.732 534 D HA 0.294 4.935 4.640 0.000 0.000 0.229 534 D C -2.540 173.832 176.300 0.120 0.000 1.152 534 D CA -1.791 52.285 54.000 0.128 0.000 0.854 534 D CB 3.199 44.075 40.800 0.126 0.000 1.590 534 D HN -0.229 nan 8.370 nan 0.000 0.468 535 P HA 0.195 nan 4.420 nan 0.000 0.276 535 P C -1.250 176.035 177.300 -0.024 0.000 1.252 535 P CA -0.373 62.770 63.100 0.072 0.000 0.802 535 P CB 0.755 32.494 31.700 0.066 0.000 1.035 536 Y N 0.286 120.543 120.300 -0.072 0.000 2.426 536 Y HA 0.223 4.774 4.550 0.000 0.000 0.325 536 Y C -0.012 175.780 175.900 -0.179 0.000 0.989 536 Y CA -0.627 57.360 58.100 -0.188 0.000 1.284 536 Y CB 0.958 39.297 38.460 -0.201 0.000 1.104 536 Y HN 0.291 nan 8.280 nan 0.000 0.481 537 E N 4.557 124.368 120.200 -0.649 0.000 1.985 537 E HA 0.050 4.400 4.350 0.000 0.000 0.268 537 E C -0.080 176.177 176.600 -0.572 0.000 1.219 537 E CA -0.011 56.134 56.400 -0.425 0.000 0.942 537 E CB 0.265 29.797 29.700 -0.280 0.000 1.045 537 E HN 0.577 nan 8.360 nan 0.000 0.413 538 T N 5.190 119.568 114.554 -0.294 0.000 2.849 538 T HA 0.008 4.358 4.350 0.000 0.000 0.289 538 T C -1.999 172.577 174.700 -0.206 0.000 1.010 538 T CA -0.832 61.162 62.100 -0.176 0.000 1.161 538 T CB -0.013 68.899 68.868 0.073 0.000 0.989 538 T HN 0.246 nan 8.240 nan 0.000 0.523 539 P HA 0.136 nan 4.420 nan 0.000 0.267 539 P C 0.541 177.828 177.300 -0.021 0.000 1.200 539 P CA 0.000 63.009 63.100 -0.152 0.000 0.772 539 P CB 0.698 32.306 31.700 -0.153 0.000 0.855 540 E N 1.159 121.357 120.200 -0.004 0.000 2.364 540 E HA 0.055 4.405 4.350 0.000 0.000 0.203 540 E C 0.982 177.606 176.600 0.040 0.000 0.888 540 E CA 0.256 56.670 56.400 0.025 0.000 0.989 540 E CB 0.352 30.058 29.700 0.010 0.000 0.985 540 E HN 0.292 nan 8.360 nan 0.000 0.499 541 K N 0.934 121.356 120.400 0.037 0.000 3.045 541 K HA 0.597 4.917 4.320 0.000 0.000 0.211 541 K C -0.135 176.505 176.600 0.066 0.000 1.141 541 K CA 0.224 56.538 56.287 0.046 0.000 1.036 541 K CB 0.463 32.981 32.500 0.031 0.000 0.851 541 K HN 0.180 nan 8.250 nan 0.000 0.462 542 A N 0.921 123.793 122.820 0.087 0.000 2.511 542 A HA 0.217 4.537 4.320 0.000 0.000 0.242 542 A C 0.794 178.443 177.584 0.108 0.000 1.069 542 A CA 0.106 52.212 52.037 0.115 0.000 0.763 542 A CB 0.159 19.257 19.000 0.164 0.000 1.001 542 A HN 0.562 nan 8.150 nan 0.000 0.498 543 D N -0.289 120.184 120.400 0.122 0.000 2.264 543 D HA -0.000 4.640 4.640 0.000 0.000 0.208 543 D C -0.009 176.351 176.300 0.101 0.000 0.966 543 D CA 1.397 55.477 54.000 0.134 0.000 0.864 543 D CB 0.057 40.992 40.800 0.224 0.000 0.933 543 D HN 0.359 nan 8.370 nan 0.000 0.499 544 L N 0.028 121.305 121.223 0.089 0.000 2.611 544 L HA 0.240 4.581 4.340 0.000 0.000 0.260 544 L C -1.673 175.234 176.870 0.061 0.000 0.924 544 L CA -0.605 54.266 54.840 0.051 0.000 0.901 544 L CB 2.229 44.294 42.059 0.011 0.000 1.369 544 L HN -0.370 nan 8.230 nan 0.000 0.415 545 V N 5.137 125.072 119.914 0.035 0.000 2.459 545 V HA 0.827 4.947 4.120 0.000 0.000 0.295 545 V C -0.421 175.651 176.094 -0.037 0.000 1.029 545 V CA -0.560 61.740 62.300 -0.000 0.000 0.874 545 V CB 1.741 33.565 31.823 0.001 0.000 0.985 545 V HN 0.591 nan 8.190 nan 0.000 0.438 546 V N 2.870 122.740 119.914 -0.072 0.000 3.040 546 V HA 0.602 4.722 4.120 0.000 0.000 0.312 546 V C -1.169 174.887 176.094 -0.064 0.000 1.115 546 V CA -0.613 61.660 62.300 -0.045 0.000 0.998 546 V CB 2.501 34.319 31.823 -0.007 0.000 1.042 546 V HN 0.911 nan 8.190 nan 0.000 0.433 547 D N 1.153 121.537 120.400 -0.026 0.000 2.473 547 D HA 0.239 4.879 4.640 0.000 0.000 0.253 547 D C 0.081 176.393 176.300 0.020 0.000 1.233 547 D CA -0.460 53.523 54.000 -0.027 0.000 0.908 547 D CB 1.523 42.284 40.800 -0.066 0.000 1.170 547 D HN 0.377 nan 8.370 nan 0.000 0.558 548 F N 2.930 122.821 119.950 -0.099 0.000 2.641 548 F HA -0.057 4.470 4.527 0.000 0.000 0.298 548 F C 1.570 177.256 175.800 -0.189 0.000 1.146 548 F CA 0.919 58.865 58.000 -0.090 0.000 1.464 548 F CB 0.217 39.203 39.000 -0.023 0.000 1.101 548 F HN 0.213 nan 8.300 nan 0.000 0.585 549 S N -0.518 114.940 115.700 -0.403 0.000 2.458 549 S HA -0.005 4.465 4.470 0.000 0.000 0.223 549 S C 1.769 176.150 174.600 -0.365 0.000 1.019 549 S CA 0.437 58.245 58.200 -0.654 0.000 0.937 549 S CB 0.048 62.863 63.200 -0.641 0.000 0.788 549 S HN 0.226 nan 8.310 nan 0.000 0.511 550 K N 0.982 121.247 120.400 -0.226 0.000 2.348 550 K HA 0.295 4.616 4.320 0.000 0.000 0.194 550 K C 0.223 176.758 176.600 -0.108 0.000 1.052 550 K CA 0.392 56.594 56.287 -0.142 0.000 1.004 550 K CB 0.271 32.714 32.500 -0.095 0.000 0.873 550 K HN 0.445 nan 8.250 nan 0.000 0.523 551 Q N 0.578 120.320 119.800 -0.097 0.000 2.394 551 Q HA 0.303 4.643 4.340 0.000 0.000 0.273 551 Q C -0.529 175.452 176.000 -0.032 0.000 1.089 551 Q CA -0.643 55.133 55.803 -0.045 0.000 0.812 551 Q CB 2.207 30.944 28.738 -0.002 0.000 1.353 551 Q HN 0.023 nan 8.270 nan 0.000 0.438 552 S N -0.293 115.401 115.700 -0.011 0.000 2.608 552 S HA 0.140 4.610 4.470 0.000 0.000 0.261 552 S C 1.318 175.985 174.600 0.111 0.000 1.314 552 S CA -0.229 57.988 58.200 0.028 0.000 0.992 552 S CB 0.673 63.882 63.200 0.015 0.000 0.935 552 S HN 0.606 nan 8.310 nan 0.000 0.564 553 V N -0.036 119.979 119.914 0.168 0.000 2.358 553 V HA -0.149 3.971 4.120 0.000 0.000 0.246 553 V C 2.676 178.823 176.094 0.089 0.000 1.047 553 V CA 1.634 64.026 62.300 0.153 0.000 1.035 553 V CB -1.518 30.395 31.823 0.150 0.000 0.658 553 V HN 1.005 nan 8.190 nan 0.000 0.452 554 R N 1.297 121.840 120.500 0.071 0.000 2.120 554 R HA -0.116 4.224 4.340 0.000 0.000 0.234 554 R C 2.396 178.740 176.300 0.074 0.000 1.123 554 R CA 1.898 58.032 56.100 0.057 0.000 0.975 554 R CB -0.847 29.471 30.300 0.030 0.000 0.866 554 R HN 0.515 nan 8.270 nan 0.000 0.446 555 S N 0.719 116.458 115.700 0.064 0.000 2.371 555 S HA 0.001 4.471 4.470 0.000 0.000 0.224 555 S C 1.990 176.643 174.600 0.088 0.000 1.029 555 S CA 0.813 59.059 58.200 0.075 0.000 0.978 555 S CB -0.136 63.089 63.200 0.041 0.000 0.833 555 S HN 0.395 nan 8.310 nan 0.000 0.466 556 I N 1.035 121.647 120.570 0.070 0.000 2.202 556 I HA -0.120 4.050 4.170 0.000 0.000 0.242 556 I C 2.326 178.460 176.117 0.029 0.000 1.091 556 I CA 0.932 62.261 61.300 0.048 0.000 1.368 556 I CB -0.526 37.512 38.000 0.063 0.000 1.058 556 I HN 0.173 nan 8.210 nan 0.000 0.410 557 V N 0.571 120.510 119.914 0.042 0.000 2.282 557 V HA -0.369 3.751 4.120 0.000 0.000 0.249 557 V C 2.541 178.641 176.094 0.011 0.000 1.057 557 V CA 2.458 64.770 62.300 0.020 0.000 1.032 557 V CB -0.933 30.914 31.823 0.039 0.000 0.645 557 V HN 0.481 nan 8.190 nan 0.000 0.447 558 H N -0.157 118.898 119.070 -0.026 0.000 2.421 558 H HA -0.132 4.424 4.556 0.000 0.000 0.298 558 H C 2.315 177.615 175.328 -0.047 0.000 1.087 558 H CA 2.000 58.029 56.048 -0.033 0.000 1.330 558 H CB 0.057 29.807 29.762 -0.020 0.000 1.388 558 H HN 0.504 nan 8.280 nan 0.000 0.526 559 E N -0.227 119.914 120.200 -0.098 0.000 2.072 559 E HA -0.125 4.225 4.350 0.000 0.000 0.191 559 E C 2.189 178.669 176.600 -0.200 0.000 0.985 559 E CA 1.189 57.505 56.400 -0.139 0.000 0.801 559 E CB 0.018 29.685 29.700 -0.055 0.000 0.750 559 E HN 0.541 nan 8.360 nan 0.000 0.452 560 I N 1.153 121.618 120.570 -0.175 0.000 2.179 560 I HA -0.283 3.887 4.170 0.000 0.000 0.242 560 I C 2.283 178.217 176.117 -0.306 0.000 1.088 560 I CA 0.690 61.853 61.300 -0.229 0.000 1.357 560 I CB -0.262 37.632 38.000 -0.176 0.000 1.051 560 I HN 0.187 nan 8.210 nan 0.000 0.409 561 I N 0.689 121.096 120.570 -0.271 0.000 2.286 561 I HA -0.262 3.908 4.170 0.000 0.000 0.248 561 I C 2.562 178.490 176.117 -0.315 0.000 1.115 561 I CA 1.682 62.820 61.300 -0.270 0.000 1.392 561 I CB -0.824 37.061 38.000 -0.191 0.000 1.065 561 I HN 0.296 nan 8.210 nan 0.000 0.418 562 L N -0.111 120.877 121.223 -0.392 0.000 2.083 562 L HA -0.189 4.151 4.340 0.000 0.000 0.209 562 L C 2.638 179.376 176.870 -0.220 0.000 1.083 562 L CA 0.890 55.548 54.840 -0.304 0.000 0.752 562 L CB -0.356 41.523 42.059 -0.299 0.000 0.899 562 L HN 0.035 nan 8.230 nan 0.000 0.433 563 V N 0.119 119.878 119.914 -0.258 0.000 2.295 563 V HA -0.304 3.816 4.120 0.000 0.000 0.246 563 V C 2.388 178.300 176.094 -0.302 0.000 1.049 563 V CA 1.617 63.766 62.300 -0.251 0.000 1.024 563 V CB -0.321 31.311 31.823 -0.317 0.000 0.648 563 V HN 0.341 nan 8.190 nan 0.000 0.447 564 L N -0.445 120.500 121.223 -0.462 0.000 2.042 564 L HA -0.240 4.100 4.340 0.000 0.000 0.210 564 L C 2.576 179.389 176.870 -0.095 0.000 1.076 564 L CA 1.909 56.485 54.840 -0.440 0.000 0.749 564 L CB -0.575 41.129 42.059 -0.590 0.000 0.893 564 L HN 0.384 nan 8.230 nan 0.000 0.432 565 E N -0.100 120.035 120.200 -0.110 0.000 2.051 565 E HA -0.233 4.118 4.350 0.000 0.000 0.192 565 E C 2.202 178.799 176.600 -0.006 0.000 0.991 565 E CA 1.572 57.950 56.400 -0.037 0.000 0.799 565 E CB 0.016 29.681 29.700 -0.060 0.000 0.748 565 E HN 0.474 nan 8.360 nan 0.000 0.449 566 S N -0.261 115.425 115.700 -0.024 0.000 2.547 566 S HA -0.104 4.366 4.470 0.000 0.000 0.235 566 S C 1.435 176.061 174.600 0.044 0.000 0.980 566 S CA 0.663 58.865 58.200 0.002 0.000 0.941 566 S CB 0.126 63.319 63.200 -0.011 0.000 0.763 566 S HN 0.219 nan 8.310 nan 0.000 0.532 567 Q N -0.157 119.704 119.800 0.101 0.000 2.172 567 Q HA 0.334 4.674 4.340 0.000 0.000 0.217 567 Q C 1.021 177.040 176.000 0.031 0.000 0.832 567 Q CA 0.170 56.068 55.803 0.158 0.000 1.010 567 Q CB 0.656 29.635 28.738 0.401 0.000 1.133 567 Q HN 0.732 nan 8.270 nan 0.000 0.489 568 G N 0.426 109.233 108.800 0.012 0.000 2.184 568 G HA2 -0.321 3.640 3.960 0.000 0.000 0.264 568 G HA3 -0.321 3.640 3.960 0.000 0.000 0.264 568 G C 0.452 175.291 174.900 -0.103 0.000 0.975 568 G CA 0.374 45.431 45.100 -0.070 0.000 0.642 568 G HN 0.427 nan 8.290 nan 0.000 0.536 569 F N 0.222 120.174 119.950 0.003 0.000 2.186 569 F HA 0.207 4.735 4.527 0.000 0.000 0.299 569 F C 2.572 178.406 175.800 0.057 0.000 1.090 569 F CA 1.604 59.628 58.000 0.040 0.000 1.307 569 F CB -0.156 38.816 39.000 -0.046 0.000 1.019 569 F HN 0.239 nan 8.300 nan 0.000 0.489 570 L N -0.156 121.179 121.223 0.186 0.000 2.592 570 L HA 0.041 4.381 4.340 0.000 0.000 0.227 570 L C 0.437 177.354 176.870 0.078 0.000 1.127 570 L CA -0.017 54.898 54.840 0.125 0.000 0.884 570 L CB -0.575 41.527 42.059 0.072 0.000 1.065 570 L HN -0.043 nan 8.230 nan 0.000 0.457 571 E N 2.980 123.213 120.200 0.055 0.000 2.901 571 E HA -0.132 4.219 4.350 0.000 0.000 0.225 571 E C 0.283 176.908 176.600 0.041 0.000 1.184 571 E CA 0.491 56.911 56.400 0.034 0.000 0.933 571 E CB -0.349 29.361 29.700 0.016 0.000 1.021 571 E HN 0.423 nan 8.360 nan 0.000 0.517 572 R N 1.693 122.218 120.500 0.041 0.000 3.127 572 R HA -0.033 4.308 4.340 0.000 0.000 0.290 572 R C 1.187 177.507 176.300 0.033 0.000 1.089 572 R CA 0.258 56.382 56.100 0.041 0.000 1.188 572 R CB 0.150 30.473 30.300 0.037 0.000 1.175 572 R HN 0.480 nan 8.270 nan 0.000 0.550 573 Q N 0.000 119.819 119.800 0.031 0.000 2.315 573 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 573 Q CA 0.000 55.819 55.803 0.026 0.000 1.022 573 Q CB 0.000 28.754 28.738 0.026 0.000 1.108 573 Q HN 0.000 nan 8.270 nan 0.000 0.481