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 1qi9_1_B DATA FIRST_RESID 2 DATA SEQUENCE TCSTSDDADD PTPPNERDDE AFASRVAAAK RELEGTGTVC QINNGETDLA DATA SEQUENCE AKFHKSLPHD DLGQVDADAF AALEDcILNG DLSIcEDVPV GNSEGDPVGR DATA SEQUENCE LVNPTAAFAI DISGPAFSAT TIPPVPTLPS PELAAQLAEV YWMALARDVP DATA SEQUENCE FMQYGTDDIT VTAAANLAGM EGFPNLDAVS IGSDGTVDPL SQLFRATFVG DATA SEQUENCE VETGPFISQL LVNSFTIDSI TVEPKQETFA PDVNYMVDFD EWLNIQNGGP DATA SEQUENCE PAGPELLDDE LRFVRNARDL ARVTFTDNIN TEAYRGALIL LGLDAFNRAG DATA SEQUENCE VNGPFIDIDR QAGFVNFGIS HYFRLIGAAE LAQRSSWYQK WQVHRFARPE DATA SEQUENCE ALGGTLHLTI KGELNADFDL SLLENAELLK RVAAINAAQN PNNEVTYLLP DATA SEQUENCE QAIQEGSPTH PSYPSGHATQ NGAFATVLKA LIGLDRGGDc YPDPVYPDDD DATA SEQUENCE GLKLIDFRGS cLTFEGEINK LAVNVAFGRQ MLGIHYRFDG IQGLLLGETI DATA SEQUENCE TVRTLHQELM TFAEESTFEF RLFTGEVIKL FQDGTFTIDG FKcPGLVYTG DATA SEQUENCE VENcV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.701 174.700 0.002 0.000 1.109 2 T CA 0.000 62.101 62.100 0.001 0.000 1.349 2 T CB 0.000 68.868 68.868 0.000 0.000 0.612 3 C N -0.729 118.572 119.300 0.002 0.000 3.295 3 C HA 0.956 5.416 4.460 -0.001 0.000 0.341 3 C C 0.604 175.596 174.990 0.003 0.000 1.418 3 C CA 0.207 59.227 59.018 0.003 0.000 1.240 3 C CB 1.054 28.796 27.740 0.004 0.000 1.562 3 C HN 1.161 nan 8.230 nan 0.000 0.457 4 S N -0.270 115.432 115.700 0.004 0.000 4.207 4 S HA 0.220 4.690 4.470 -0.001 0.000 0.177 4 S C 1.178 175.781 174.600 0.005 0.000 0.981 4 S CA 0.815 59.018 58.200 0.004 0.000 1.097 4 S CB 0.077 63.279 63.200 0.003 0.000 1.525 4 S HN 0.919 nan 8.310 nan 0.000 0.686 5 T N 1.272 115.829 114.554 0.006 0.000 3.086 5 T HA 0.360 4.710 4.350 -0.001 0.000 0.250 5 T C 0.238 174.942 174.700 0.008 0.000 1.074 5 T CA 0.307 62.411 62.100 0.007 0.000 0.988 5 T CB 0.282 69.154 68.868 0.007 0.000 0.988 5 T HN 0.282 nan 8.240 nan 0.000 0.530 6 S N 1.919 117.623 115.700 0.007 0.000 2.543 6 S HA 0.555 5.024 4.470 -0.001 0.000 0.271 6 S C -2.124 172.480 174.600 0.007 0.000 1.148 6 S CA -0.820 57.384 58.200 0.007 0.000 0.914 6 S CB 1.458 64.662 63.200 0.007 0.000 1.096 6 S HN 0.320 nan 8.310 nan 0.000 0.471 7 D N 1.757 122.162 120.400 0.008 0.000 2.867 7 D HA 0.383 5.023 4.640 -0.001 0.000 0.308 7 D C -0.520 175.784 176.300 0.007 0.000 1.202 7 D CA -0.429 53.575 54.000 0.007 0.000 1.035 7 D CB -0.169 40.636 40.800 0.008 0.000 1.427 7 D HN 0.323 nan 8.370 nan 0.000 0.570 8 D N -0.576 119.828 120.400 0.007 0.000 2.336 8 D HA 0.284 4.924 4.640 -0.001 0.000 0.229 8 D C 0.121 176.426 176.300 0.008 0.000 1.061 8 D CA 0.127 54.130 54.000 0.007 0.000 0.875 8 D CB -0.068 40.735 40.800 0.005 0.000 0.904 8 D HN 0.498 nan 8.370 nan 0.000 0.525 9 A N 0.711 123.536 122.820 0.010 0.000 2.363 9 A HA 0.164 4.484 4.320 -0.001 0.000 0.270 9 A C 0.084 177.676 177.584 0.013 0.000 1.121 9 A CA -0.416 51.628 52.037 0.012 0.000 0.800 9 A CB 0.601 19.610 19.000 0.014 0.000 1.052 9 A HN -0.182 nan 8.150 nan 0.000 0.493 10 D N 1.922 122.330 120.400 0.013 0.000 2.551 10 D HA 0.256 4.896 4.640 -0.001 0.000 0.223 10 D C -0.933 175.377 176.300 0.018 0.000 1.144 10 D CA 0.787 54.796 54.000 0.014 0.000 1.025 10 D CB 0.308 41.117 40.800 0.014 0.000 1.085 10 D HN 0.478 nan 8.370 nan 0.000 0.506 11 D N 1.280 121.691 120.400 0.018 0.000 2.855 11 D HA 0.214 4.854 4.640 -0.001 0.000 0.241 11 D C -1.815 174.497 176.300 0.020 0.000 1.277 11 D CA -1.761 52.251 54.000 0.021 0.000 0.918 11 D CB 2.243 43.056 40.800 0.022 0.000 1.462 11 D HN -0.082 nan 8.370 nan 0.000 0.559 12 P HA 0.002 nan 4.420 nan 0.000 0.219 12 P C 0.161 177.474 177.300 0.020 0.000 1.146 12 P CA 0.717 63.829 63.100 0.020 0.000 0.808 12 P CB 0.178 31.891 31.700 0.022 0.000 0.779 13 T N 2.682 117.250 114.554 0.023 0.000 2.780 13 T HA 0.286 4.636 4.350 -0.001 0.000 0.294 13 T C -2.478 172.234 174.700 0.020 0.000 0.949 13 T CA -1.452 60.662 62.100 0.023 0.000 1.074 13 T CB 0.688 69.573 68.868 0.027 0.000 0.910 13 T HN -0.021 nan 8.240 nan 0.000 0.501 14 P HA 0.135 nan 4.420 nan 0.000 0.266 14 P C -2.078 175.232 177.300 0.016 0.000 1.195 14 P CA -1.510 61.599 63.100 0.015 0.000 0.768 14 P CB 0.160 31.868 31.700 0.013 0.000 0.838 15 P HA -0.227 nan 4.420 nan 0.000 0.216 15 P C 1.100 178.408 177.300 0.013 0.000 1.154 15 P CA 1.848 64.956 63.100 0.013 0.000 0.865 15 P CB -0.352 31.354 31.700 0.010 0.000 0.789 16 N N -0.728 117.978 118.700 0.010 0.000 2.521 16 N HA -0.113 4.627 4.740 -0.001 0.000 0.188 16 N C 0.967 176.483 175.510 0.010 0.000 1.146 16 N CA 0.959 54.014 53.050 0.008 0.000 0.893 16 N CB -0.818 37.672 38.487 0.004 0.000 0.975 16 N HN 0.268 nan 8.380 nan 0.000 0.451 17 E N -0.461 119.749 120.200 0.016 0.000 2.511 17 E HA 0.215 4.564 4.350 -0.001 0.000 0.209 17 E C 1.307 177.926 176.600 0.031 0.000 0.986 17 E CA -0.261 56.153 56.400 0.023 0.000 0.974 17 E CB 0.366 30.080 29.700 0.024 0.000 1.030 17 E HN 0.315 nan 8.360 nan 0.000 0.490 18 R N 1.519 122.037 120.500 0.029 0.000 2.092 18 R HA -0.121 4.219 4.340 -0.001 0.000 0.231 18 R C 1.753 178.080 176.300 0.044 0.000 1.119 18 R CA 1.633 57.755 56.100 0.035 0.000 0.970 18 R CB -0.219 30.099 30.300 0.030 0.000 0.864 18 R HN 0.225 nan 8.270 nan 0.000 0.440 19 D N 0.926 121.349 120.400 0.038 0.000 2.117 19 D HA -0.185 4.455 4.640 -0.001 0.000 0.198 19 D C 1.175 177.519 176.300 0.074 0.000 0.982 19 D CA 1.178 55.205 54.000 0.044 0.000 0.828 19 D CB -0.532 40.278 40.800 0.016 0.000 0.967 19 D HN 0.037 nan 8.370 nan 0.000 0.464 20 D N 0.980 121.417 120.400 0.063 0.000 2.104 20 D HA -0.139 4.501 4.640 -0.001 0.000 0.194 20 D C 2.028 178.414 176.300 0.143 0.000 0.994 20 D CA 1.058 55.117 54.000 0.098 0.000 0.830 20 D CB -0.272 40.566 40.800 0.063 0.000 0.959 20 D HN 0.462 nan 8.370 nan 0.000 0.452 21 E N 0.405 120.660 120.200 0.093 0.000 2.110 21 E HA -0.125 4.225 4.350 -0.001 0.000 0.193 21 E C 2.028 178.677 176.600 0.081 0.000 0.988 21 E CA 0.888 57.335 56.400 0.077 0.000 0.804 21 E CB -0.005 29.728 29.700 0.054 0.000 0.745 21 E HN 0.189 nan 8.360 nan 0.000 0.458 22 A N 0.777 123.653 122.820 0.094 0.000 1.929 22 A HA -0.147 4.173 4.320 -0.001 0.000 0.216 22 A C 1.911 179.561 177.584 0.111 0.000 1.176 22 A CA 0.768 52.857 52.037 0.086 0.000 0.628 22 A CB -0.565 18.484 19.000 0.081 0.000 0.816 22 A HN 0.329 nan 8.150 nan 0.000 0.444 23 F N 1.100 121.056 119.950 0.009 0.000 2.146 23 F HA -0.012 4.515 4.527 -0.000 0.000 0.298 23 F C 2.459 178.263 175.800 0.006 0.000 1.096 23 F CA 1.134 59.138 58.000 0.007 0.000 1.275 23 F CB -0.408 38.596 39.000 0.006 0.000 1.008 23 F HN 0.237 nan 8.300 nan 0.000 0.480 24 A N -0.711 122.132 122.820 0.038 0.000 1.908 24 A HA -0.225 4.094 4.320 -0.001 0.000 0.218 24 A C 2.372 179.888 177.584 -0.113 0.000 1.181 24 A CA 2.066 54.067 52.037 -0.060 0.000 0.627 24 A CB -1.465 17.558 19.000 0.038 0.000 0.818 24 A HN 0.488 nan 8.150 nan 0.000 0.445 25 S N -0.670 114.993 115.700 -0.061 0.000 2.387 25 S HA -0.146 4.323 4.470 -0.001 0.000 0.226 25 S C 2.157 176.701 174.600 -0.092 0.000 1.026 25 S CA 1.269 59.435 58.200 -0.055 0.000 0.972 25 S CB -0.321 62.869 63.200 -0.016 0.000 0.814 25 S HN 0.614 nan 8.310 nan 0.000 0.477 26 R N 0.139 120.567 120.500 -0.120 0.000 2.092 26 R HA 0.026 4.365 4.340 -0.001 0.000 0.231 26 R C 2.279 178.458 176.300 -0.202 0.000 1.119 26 R CA 1.418 57.437 56.100 -0.135 0.000 0.970 26 R CB -0.561 29.675 30.300 -0.105 0.000 0.864 26 R HN 0.317 nan 8.270 nan 0.000 0.440 27 V N 1.008 120.720 119.914 -0.337 0.000 2.358 27 V HA -0.210 3.910 4.120 -0.001 0.000 0.246 27 V C 2.403 178.386 176.094 -0.185 0.000 1.047 27 V CA 1.945 64.046 62.300 -0.330 0.000 1.035 27 V CB -0.592 30.922 31.823 -0.514 0.000 0.658 27 V HN 0.399 nan 8.190 nan 0.000 0.452 28 A N -0.118 122.611 122.820 -0.152 0.000 1.933 28 A HA -0.087 4.232 4.320 -0.001 0.000 0.218 28 A C 2.386 179.919 177.584 -0.085 0.000 1.175 28 A CA 2.005 53.984 52.037 -0.097 0.000 0.628 28 A CB -0.632 18.325 19.000 -0.072 0.000 0.814 28 A HN 0.557 nan 8.150 nan 0.000 0.444 29 A N -0.217 122.549 122.820 -0.090 0.000 1.897 29 A HA 0.248 4.567 4.320 -0.001 0.000 0.215 29 A C 2.487 180.026 177.584 -0.075 0.000 1.181 29 A CA 1.808 53.798 52.037 -0.078 0.000 0.620 29 A CB -0.947 18.009 19.000 -0.073 0.000 0.821 29 A HN 0.996 nan 8.150 nan 0.000 0.443 30 A N -0.220 122.550 122.820 -0.084 0.000 1.930 30 A HA -0.148 4.172 4.320 -0.001 0.000 0.217 30 A C 2.133 179.678 177.584 -0.066 0.000 1.175 30 A CA 1.895 53.888 52.037 -0.073 0.000 0.627 30 A CB -0.420 18.532 19.000 -0.080 0.000 0.815 30 A HN 0.525 nan 8.150 nan 0.000 0.443 31 K N -0.337 120.021 120.400 -0.071 0.000 2.148 31 K HA -0.145 4.174 4.320 -0.001 0.000 0.204 31 K C 2.291 178.864 176.600 -0.045 0.000 1.050 31 K CA 1.318 57.572 56.287 -0.055 0.000 0.942 31 K CB -0.176 32.289 32.500 -0.057 0.000 0.724 31 K HN 0.468 nan 8.250 nan 0.000 0.446 32 R N 0.562 121.032 120.500 -0.050 0.000 2.092 32 R HA -0.111 4.229 4.340 -0.001 0.000 0.231 32 R C 1.769 178.046 176.300 -0.039 0.000 1.119 32 R CA 1.353 57.427 56.100 -0.043 0.000 0.970 32 R CB 0.043 30.310 30.300 -0.056 0.000 0.864 32 R HN 0.162 nan 8.270 nan 0.000 0.440 33 E N 0.826 120.998 120.200 -0.047 0.000 2.072 33 E HA -0.189 4.160 4.350 -0.001 0.000 0.191 33 E C 1.964 178.540 176.600 -0.041 0.000 0.985 33 E CA 0.878 57.251 56.400 -0.045 0.000 0.801 33 E CB -0.266 29.403 29.700 -0.052 0.000 0.750 33 E HN 0.265 nan 8.360 nan 0.000 0.452 34 L N 1.767 122.965 121.223 -0.041 0.000 1.970 34 L HA -0.189 4.150 4.340 -0.001 0.000 0.212 34 L C 1.916 178.771 176.870 -0.025 0.000 1.071 34 L CA 1.982 56.801 54.840 -0.036 0.000 0.751 34 L CB -0.443 41.596 42.059 -0.034 0.000 0.889 34 L HN 0.012 nan 8.230 nan 0.000 0.432 35 E N -0.691 119.497 120.200 -0.020 0.000 2.150 35 E HA -0.104 4.246 4.350 -0.001 0.000 0.193 35 E C 2.008 178.608 176.600 -0.001 0.000 0.985 35 E CA 0.854 57.248 56.400 -0.009 0.000 0.814 35 E CB -0.434 29.261 29.700 -0.008 0.000 0.752 35 E HN 0.707 nan 8.360 nan 0.000 0.466 36 G N 0.272 109.072 108.800 -0.001 0.000 2.511 36 G HA2 -0.146 3.814 3.960 -0.001 0.000 0.217 36 G HA3 -0.146 3.814 3.960 -0.001 0.000 0.217 36 G C 1.521 176.424 174.900 0.005 0.000 1.133 36 G CA 0.746 45.855 45.100 0.015 0.000 0.792 36 G HN 0.133 nan 8.290 nan 0.000 0.539 37 T N 0.217 114.763 114.554 -0.013 0.000 2.781 37 T HA 0.371 4.720 4.350 -0.001 0.000 0.252 37 T C 1.736 176.428 174.700 -0.014 0.000 1.039 37 T CA 1.282 63.369 62.100 -0.022 0.000 1.147 37 T CB -0.518 68.323 68.868 -0.045 0.000 0.865 37 T HN 0.898 nan 8.240 nan 0.000 0.423 38 G N 1.034 109.825 108.800 -0.014 0.000 2.569 38 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.259 38 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.259 38 G C -0.072 174.823 174.900 -0.008 0.000 1.263 38 G CA -0.040 45.056 45.100 -0.007 0.000 0.928 38 G HN 0.514 nan 8.290 nan 0.000 0.572 39 T N 0.637 115.192 114.554 0.002 0.000 2.780 39 T HA 0.517 4.867 4.350 -0.001 0.000 0.294 39 T C 0.089 174.796 174.700 0.012 0.000 0.949 39 T CA -0.056 62.048 62.100 0.007 0.000 1.074 39 T CB 1.494 70.370 68.868 0.013 0.000 0.910 39 T HN 0.889 nan 8.240 nan 0.000 0.501 40 V N 3.604 123.528 119.914 0.016 0.000 2.409 40 V HA 0.275 4.395 4.120 -0.001 0.000 0.291 40 V C -0.035 176.088 176.094 0.048 0.000 1.020 40 V CA -0.923 61.394 62.300 0.027 0.000 0.848 40 V CB 1.367 33.202 31.823 0.018 0.000 0.990 40 V HN 1.027 nan 8.190 nan 0.000 0.430 41 C N 5.160 124.489 119.300 0.047 0.000 2.303 41 C HA 0.405 4.865 4.460 -0.001 0.000 0.341 41 C C 0.340 175.367 174.990 0.061 0.000 1.244 41 C CA -1.057 57.993 59.018 0.053 0.000 1.765 41 C CB 0.150 27.914 27.740 0.040 0.000 2.379 41 C HN 0.716 nan 8.230 nan 0.000 0.530 42 Q N 3.245 123.085 119.800 0.067 0.000 2.307 42 Q HA 0.448 4.788 4.340 -0.001 0.000 0.259 42 Q C -0.498 175.501 176.000 -0.000 0.000 0.998 42 Q CA 0.455 56.283 55.803 0.043 0.000 0.923 42 Q CB 1.062 29.816 28.738 0.026 0.000 1.196 42 Q HN 0.690 nan 8.270 nan 0.000 0.416 43 I N 3.395 123.973 120.570 0.013 0.000 2.389 43 I HA 0.189 4.358 4.170 -0.001 0.000 0.288 43 I C 0.266 176.390 176.117 0.013 0.000 0.999 43 I CA -0.828 60.480 61.300 0.013 0.000 1.129 43 I CB 1.226 39.252 38.000 0.043 0.000 1.288 43 I HN 0.507 nan 8.210 nan 0.000 0.444 44 N N 4.135 122.815 118.700 -0.035 0.000 2.643 44 N HA 0.183 4.922 4.740 -0.001 0.000 0.305 44 N C 0.436 175.979 175.510 0.055 0.000 1.283 44 N CA -0.785 52.276 53.050 0.019 0.000 0.946 44 N CB 0.101 38.547 38.487 -0.069 0.000 1.149 44 N HN 0.520 nan 8.380 nan 0.000 0.600 45 N N -2.435 116.299 118.700 0.058 0.000 2.515 45 N HA 0.085 4.825 4.740 -0.001 0.000 0.185 45 N C 1.101 176.619 175.510 0.014 0.000 1.109 45 N CA 0.733 53.786 53.050 0.005 0.000 0.903 45 N CB -0.499 37.958 38.487 -0.050 0.000 0.969 45 N HN 0.945 nan 8.380 nan 0.000 0.450 46 G N -0.001 108.817 108.800 0.030 0.000 2.184 46 G HA2 -0.383 3.576 3.960 -0.001 0.000 0.264 46 G HA3 -0.383 3.576 3.960 -0.001 0.000 0.264 46 G C -0.155 174.763 174.900 0.030 0.000 0.975 46 G CA 0.509 45.626 45.100 0.027 0.000 0.642 46 G HN 0.877 nan 8.290 nan 0.000 0.536 47 E N 0.247 120.469 120.200 0.036 0.000 2.383 47 E HA 0.464 4.813 4.350 -0.001 0.000 0.264 47 E C 1.172 177.789 176.600 0.028 0.000 1.050 47 E CA 0.365 56.780 56.400 0.026 0.000 0.896 47 E CB 0.709 30.425 29.700 0.028 0.000 0.982 47 E HN 0.501 nan 8.360 nan 0.000 0.424 48 T N -0.877 113.682 114.554 0.008 0.000 3.001 48 T HA -0.011 4.339 4.350 -0.001 0.000 0.251 48 T C 0.394 175.075 174.700 -0.031 0.000 1.040 48 T CA -0.044 62.058 62.100 0.003 0.000 0.985 48 T CB 0.063 68.933 68.868 0.004 0.000 1.011 48 T HN 0.478 nan 8.240 nan 0.000 0.509 49 D N 1.488 121.862 120.400 -0.042 0.000 2.487 49 D HA 0.034 4.674 4.640 -0.001 0.000 0.243 49 D C 1.110 177.351 176.300 -0.100 0.000 1.154 49 D CA -0.157 53.800 54.000 -0.071 0.000 0.876 49 D CB 0.468 41.225 40.800 -0.073 0.000 1.161 49 D HN 0.212 nan 8.370 nan 0.000 0.478 50 L N 3.459 124.595 121.223 -0.145 0.000 2.291 50 L HA -0.078 4.261 4.340 -0.001 0.000 0.214 50 L C 2.326 179.183 176.870 -0.023 0.000 1.120 50 L CA 0.805 55.512 54.840 -0.221 0.000 0.799 50 L CB -0.321 41.505 42.059 -0.387 0.000 0.925 50 L HN 0.518 nan 8.230 nan 0.000 0.446 51 A N 0.273 123.089 122.820 -0.006 0.000 2.019 51 A HA -0.091 4.229 4.320 -0.001 0.000 0.219 51 A C 2.194 179.746 177.584 -0.053 0.000 1.164 51 A CA 1.568 53.631 52.037 0.043 0.000 0.644 51 A CB -0.381 18.619 19.000 -0.000 0.000 0.805 51 A HN 0.374 nan 8.150 nan 0.000 0.449 52 A N -1.247 121.498 122.820 -0.126 0.000 2.337 52 A HA 0.313 4.633 4.320 -0.001 0.000 0.227 52 A C 0.466 177.841 177.584 -0.348 0.000 1.259 52 A CA -0.029 51.842 52.037 -0.277 0.000 0.870 52 A CB 0.044 18.951 19.000 -0.156 0.000 0.927 52 A HN 0.204 nan 8.150 nan 0.000 0.497 53 K N -0.882 119.406 120.400 -0.186 0.000 2.328 53 K HA 0.401 4.720 4.320 -0.001 0.000 0.246 53 K C -1.026 175.498 176.600 -0.127 0.000 0.955 53 K CA -0.915 55.351 56.287 -0.035 0.000 0.817 53 K CB 1.330 33.906 32.500 0.128 0.000 1.208 53 K HN 0.158 nan 8.250 nan 0.000 0.432 54 F N 2.850 122.753 119.950 -0.079 0.000 2.495 54 F HA 0.050 4.577 4.527 -0.001 0.000 0.365 54 F C 0.592 176.403 175.800 0.018 0.000 1.090 54 F CA 0.466 58.375 58.000 -0.152 0.000 1.235 54 F CB 0.318 39.249 39.000 -0.116 0.000 1.119 54 F HN 0.678 nan 8.300 nan 0.000 0.562 55 H N 2.321 120.980 119.070 -0.685 0.000 3.377 55 H HA 0.219 4.775 4.556 -0.001 0.000 0.243 55 H C -0.379 174.671 175.328 -0.462 0.000 1.264 55 H CA -0.892 54.923 56.048 -0.389 0.000 1.021 55 H CB -0.878 28.950 29.762 0.109 0.000 2.781 55 H HN 0.489 nan 8.280 nan 0.000 0.643 56 K N 1.957 121.727 120.400 -1.050 0.000 2.448 56 K HA 0.180 4.500 4.320 -0.001 0.000 0.278 56 K C 0.638 177.173 176.600 -0.108 0.000 1.009 56 K CA 1.207 57.237 56.287 -0.429 0.000 0.995 56 K CB 0.322 32.620 32.500 -0.337 0.000 0.917 56 K HN 0.684 nan 8.250 nan 0.000 0.481 57 S N 1.127 116.840 115.700 0.022 0.000 2.319 57 S HA -0.163 4.307 4.470 -0.001 0.000 0.253 57 S C 0.161 174.801 174.600 0.067 0.000 1.235 57 S CA 0.614 58.851 58.200 0.062 0.000 1.388 57 S CB -1.767 61.494 63.200 0.103 0.000 1.723 57 S HN 0.466 nan 8.310 nan 0.000 0.611 58 L N 1.476 122.733 121.223 0.057 0.000 2.479 58 L HA 0.571 4.910 4.340 -0.001 0.000 0.249 58 L C -2.251 174.528 176.870 -0.152 0.000 1.178 58 L CA -2.486 52.323 54.840 -0.051 0.000 0.811 58 L CB -0.471 41.528 42.059 -0.100 0.000 1.187 58 L HN 0.004 nan 8.230 nan 0.000 0.480 59 P HA 0.184 nan 4.420 nan 0.000 0.271 59 P C -1.331 175.745 177.300 -0.374 0.000 1.216 59 P CA 0.226 63.235 63.100 -0.151 0.000 0.771 59 P CB 0.510 32.151 31.700 -0.099 0.000 0.864 60 H N -0.648 118.390 119.070 -0.053 0.000 2.865 60 H HA 0.341 4.897 4.556 -0.000 0.000 0.372 60 H C 0.054 175.373 175.328 -0.015 0.000 1.173 60 H CA -0.534 55.481 56.048 -0.054 0.000 1.147 60 H CB 0.900 30.622 29.762 -0.066 0.000 1.805 60 H HN 0.387 nan 8.280 nan 0.000 0.553 61 D N -0.524 119.951 120.400 0.124 0.000 2.398 61 D HA -0.018 4.621 4.640 -0.001 0.000 0.264 61 D C 0.232 176.628 176.300 0.160 0.000 1.263 61 D CA -0.373 53.691 54.000 0.106 0.000 1.037 61 D CB 0.467 41.315 40.800 0.080 0.000 1.101 61 D HN 0.416 nan 8.370 nan 0.000 0.551 62 D N -1.201 119.296 120.400 0.162 0.000 2.363 62 D HA 0.029 4.669 4.640 -0.001 0.000 0.226 62 D C 1.008 177.518 176.300 0.350 0.000 1.020 62 D CA 0.374 54.516 54.000 0.238 0.000 0.892 62 D CB -0.022 40.896 40.800 0.196 0.000 0.900 62 D HN 0.323 nan 8.370 nan 0.000 0.531 63 L N -0.892 120.507 121.223 0.293 0.000 2.700 63 L HA 0.264 4.604 4.340 -0.001 0.000 0.234 63 L C 1.310 178.427 176.870 0.412 0.000 1.156 63 L CA -0.063 54.984 54.840 0.344 0.000 0.946 63 L CB 0.238 42.414 42.059 0.194 0.000 1.216 63 L HN 0.001 nan 8.230 nan 0.000 0.493 64 G N 0.338 109.356 108.800 0.363 0.000 2.153 64 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.252 64 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.252 64 G C 0.137 175.209 174.900 0.286 0.000 0.994 64 G CA -0.049 45.209 45.100 0.264 0.000 0.698 64 G HN 0.470 nan 8.290 nan 0.000 0.521 65 Q N -0.502 119.445 119.800 0.245 0.000 2.243 65 Q HA 0.569 4.908 4.340 -0.001 0.000 0.252 65 Q C 0.444 176.470 176.000 0.043 0.000 0.909 65 Q CA -0.630 55.259 55.803 0.143 0.000 0.922 65 Q CB 2.672 31.449 28.738 0.065 0.000 1.215 65 Q HN 0.275 nan 8.270 nan 0.000 0.427 66 V N 3.181 122.958 119.914 -0.227 0.000 2.715 66 V HA -0.036 4.084 4.120 -0.001 0.000 0.299 66 V C 0.055 175.960 176.094 -0.316 0.000 1.054 66 V CA -0.013 61.951 62.300 -0.560 0.000 1.077 66 V CB 1.172 32.341 31.823 -1.090 0.000 0.972 66 V HN 0.824 nan 8.190 nan 0.000 0.484 67 D N 5.146 125.375 120.400 -0.284 0.000 2.450 67 D HA 0.081 4.721 4.640 -0.001 0.000 0.247 67 D C 0.948 177.195 176.300 -0.088 0.000 1.162 67 D CA 0.471 54.388 54.000 -0.140 0.000 0.879 67 D CB 1.845 42.578 40.800 -0.111 0.000 1.163 67 D HN 0.728 nan 8.370 nan 0.000 0.472 68 A N 4.779 127.568 122.820 -0.051 0.000 1.908 68 A HA -0.213 4.106 4.320 -0.001 0.000 0.218 68 A C 1.708 179.326 177.584 0.056 0.000 1.181 68 A CA 1.413 53.449 52.037 -0.001 0.000 0.627 68 A CB -0.107 18.889 19.000 -0.007 0.000 0.818 68 A HN 0.665 nan 8.150 nan 0.000 0.445 69 D N -0.094 120.322 120.400 0.025 0.000 2.149 69 D HA 0.034 4.674 4.640 -0.001 0.000 0.201 69 D C 2.230 178.550 176.300 0.033 0.000 0.972 69 D CA 1.295 55.313 54.000 0.031 0.000 0.835 69 D CB -0.441 40.365 40.800 0.011 0.000 0.966 69 D HN 0.419 nan 8.370 nan 0.000 0.476 70 A N 0.622 123.452 122.820 0.018 0.000 1.883 70 A HA -0.193 4.127 4.320 -0.001 0.000 0.217 70 A C 2.106 179.718 177.584 0.047 0.000 1.186 70 A CA 1.024 53.068 52.037 0.010 0.000 0.624 70 A CB -1.071 17.911 19.000 -0.030 0.000 0.822 70 A HN 0.236 nan 8.150 nan 0.000 0.444 71 F N 0.862 120.779 119.950 -0.055 0.000 2.134 71 F HA -0.099 4.428 4.527 -0.000 0.000 0.299 71 F C 2.515 178.333 175.800 0.031 0.000 1.097 71 F CA 1.269 59.264 58.000 -0.007 0.000 1.264 71 F CB -0.273 38.704 39.000 -0.038 0.000 1.001 71 F HN 0.247 nan 8.300 nan 0.000 0.479 72 A N 0.065 122.944 122.820 0.098 0.000 1.969 72 A HA -0.019 4.301 4.320 -0.001 0.000 0.218 72 A C 2.364 179.922 177.584 -0.044 0.000 1.169 72 A CA 1.454 53.505 52.037 0.023 0.000 0.635 72 A CB -1.426 17.612 19.000 0.065 0.000 0.810 72 A HN 0.462 nan 8.150 nan 0.000 0.445 73 A N -0.380 122.421 122.820 -0.031 0.000 1.933 73 A HA -0.034 4.285 4.320 -0.001 0.000 0.218 73 A C 2.108 179.653 177.584 -0.065 0.000 1.175 73 A CA 1.691 53.707 52.037 -0.035 0.000 0.628 73 A CB -0.555 18.435 19.000 -0.016 0.000 0.814 73 A HN 0.699 nan 8.150 nan 0.000 0.444 74 L N 0.111 121.266 121.223 -0.113 0.000 2.056 74 L HA -0.117 4.222 4.340 -0.001 0.000 0.207 74 L C 2.104 178.882 176.870 -0.154 0.000 1.078 74 L CA 2.338 57.107 54.840 -0.119 0.000 0.749 74 L CB -0.625 41.356 42.059 -0.131 0.000 0.901 74 L HN 0.511 nan 8.230 nan 0.000 0.433 75 E N -0.712 119.328 120.200 -0.267 0.000 2.110 75 E HA -0.268 4.082 4.350 -0.001 0.000 0.193 75 E C 1.727 178.297 176.600 -0.050 0.000 0.988 75 E CA 1.296 57.601 56.400 -0.158 0.000 0.804 75 E CB -0.149 29.466 29.700 -0.142 0.000 0.745 75 E HN 0.571 nan 8.360 nan 0.000 0.458 76 D N 0.162 120.533 120.400 -0.048 0.000 2.144 76 D HA -0.145 4.495 4.640 -0.001 0.000 0.200 76 D C 2.070 178.358 176.300 -0.020 0.000 0.978 76 D CA 0.890 54.877 54.000 -0.022 0.000 0.833 76 D CB -0.247 40.541 40.800 -0.021 0.000 0.961 76 D HN 0.211 nan 8.370 nan 0.000 0.470 77 c N -0.158 118.422 118.600 -0.033 0.000 2.432 77 c HA -0.060 4.510 4.570 -0.001 0.000 0.277 77 c C 2.738 176.809 174.090 -0.032 0.000 1.249 77 c CA 0.475 56.779 56.329 -0.042 0.000 1.725 77 c CB -1.432 41.041 42.510 -0.061 0.000 2.028 77 c HN 0.399 nan 8.230 nan 0.000 0.477 78 I N 0.622 121.184 120.570 -0.013 0.000 2.226 78 I HA -0.150 4.020 4.170 -0.001 0.000 0.245 78 I C 2.528 178.750 176.117 0.175 0.000 1.100 78 I CA 1.519 62.848 61.300 0.048 0.000 1.374 78 I CB -0.540 37.524 38.000 0.106 0.000 1.057 78 I HN 0.391 nan 8.210 nan 0.000 0.413 79 L N 0.747 122.045 121.223 0.124 0.000 2.093 79 L HA -0.123 4.217 4.340 -0.001 0.000 0.208 79 L C 1.810 178.697 176.870 0.028 0.000 1.085 79 L CA 1.937 56.858 54.840 0.136 0.000 0.755 79 L CB -0.643 41.450 42.059 0.056 0.000 0.904 79 L HN 0.222 nan 8.230 nan 0.000 0.435 80 N N 0.044 118.733 118.700 -0.020 0.000 2.280 80 N HA 0.115 4.855 4.740 -0.001 0.000 0.192 80 N C 1.042 176.454 175.510 -0.164 0.000 1.109 80 N CA 0.827 53.805 53.050 -0.119 0.000 0.855 80 N CB 0.210 38.657 38.487 -0.068 0.000 0.974 80 N HN 0.435 nan 8.380 nan 0.000 0.482 81 G N 1.688 110.451 108.800 -0.062 0.000 2.341 81 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.292 81 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.292 81 G C -0.510 174.374 174.900 -0.027 0.000 1.021 81 G CA 0.489 45.596 45.100 0.010 0.000 0.905 81 G HN 0.404 nan 8.290 nan 0.000 0.508 82 D N -0.559 119.824 120.400 -0.028 0.000 2.549 82 D HA 0.342 4.981 4.640 -0.001 0.000 0.251 82 D C 1.517 177.799 176.300 -0.029 0.000 1.153 82 D CA -0.764 53.216 54.000 -0.033 0.000 0.861 82 D CB 1.127 41.903 40.800 -0.040 0.000 1.207 82 D HN 0.028 nan 8.370 nan 0.000 0.543 83 L N 2.407 123.614 121.223 -0.026 0.000 2.012 83 L HA -0.175 4.164 4.340 -0.001 0.000 0.210 83 L C 2.387 179.242 176.870 -0.024 0.000 1.073 83 L CA 0.998 55.822 54.840 -0.027 0.000 0.748 83 L CB -0.313 41.733 42.059 -0.021 0.000 0.891 83 L HN 0.386 nan 8.230 nan 0.000 0.431 84 S N -0.002 115.685 115.700 -0.021 0.000 2.370 84 S HA -0.182 4.287 4.470 -0.001 0.000 0.226 84 S C 1.913 176.502 174.600 -0.018 0.000 1.033 84 S CA 1.264 59.454 58.200 -0.017 0.000 1.011 84 S CB -0.220 62.970 63.200 -0.016 0.000 0.852 84 S HN 0.302 nan 8.310 nan 0.000 0.457 85 I N 0.762 121.318 120.570 -0.023 0.000 2.286 85 I HA -0.202 3.968 4.170 -0.001 0.000 0.248 85 I C 2.325 178.427 176.117 -0.026 0.000 1.115 85 I CA 0.866 62.152 61.300 -0.023 0.000 1.392 85 I CB -0.431 37.553 38.000 -0.026 0.000 1.065 85 I HN 0.416 nan 8.210 nan 0.000 0.418 86 c N 0.488 119.068 118.600 -0.033 0.000 2.432 86 c HA -0.070 4.499 4.570 -0.001 0.000 0.280 86 c C 2.511 176.588 174.090 -0.022 0.000 1.353 86 c CA 0.369 56.674 56.329 -0.040 0.000 1.766 86 c CB -0.947 41.521 42.510 -0.070 0.000 1.924 86 c HN 0.455 nan 8.230 nan 0.000 0.509 87 E N 0.939 121.130 120.200 -0.015 0.000 2.347 87 E HA -0.091 4.259 4.350 -0.001 0.000 0.196 87 E C 1.127 177.726 176.600 -0.002 0.000 1.008 87 E CA 0.853 57.250 56.400 -0.005 0.000 0.852 87 E CB -0.390 29.308 29.700 -0.004 0.000 0.783 87 E HN 0.643 nan 8.360 nan 0.000 0.505 88 D N 0.177 120.573 120.400 -0.006 0.000 2.349 88 D HA -0.013 4.627 4.640 -0.001 0.000 0.224 88 D C 0.268 176.567 176.300 -0.002 0.000 1.029 88 D CA 0.090 54.088 54.000 -0.004 0.000 0.879 88 D CB 0.459 41.254 40.800 -0.008 0.000 0.906 88 D HN -0.065 nan 8.370 nan 0.000 0.528 89 V N 3.106 123.020 119.914 0.000 0.000 2.529 89 V HA 0.067 4.187 4.120 -0.001 0.000 0.292 89 V C -1.777 174.324 176.094 0.012 0.000 1.028 89 V CA -1.137 61.166 62.300 0.006 0.000 1.074 89 V CB 0.530 32.363 31.823 0.017 0.000 0.958 89 V HN -0.035 nan 8.190 nan 0.000 0.481 90 P HA 0.232 nan 4.420 nan 0.000 0.269 90 P C -0.876 176.429 177.300 0.008 0.000 1.215 90 P CA -0.047 63.054 63.100 0.002 0.000 0.780 90 P CB 0.449 32.143 31.700 -0.010 0.000 0.898 91 V N 0.097 120.016 119.914 0.009 0.000 2.680 91 V HA 0.575 4.695 4.120 -0.001 0.000 0.309 91 V C 1.309 177.406 176.094 0.005 0.000 1.052 91 V CA -0.385 61.925 62.300 0.016 0.000 0.908 91 V CB 1.453 33.290 31.823 0.024 0.000 1.001 91 V HN 0.701 nan 8.190 nan 0.000 0.431 92 G N 1.649 110.454 108.800 0.009 0.000 2.985 92 G HA2 0.067 4.027 3.960 -0.001 0.000 0.209 92 G HA3 0.067 4.027 3.960 -0.001 0.000 0.209 92 G C 0.432 175.336 174.900 0.007 0.000 1.165 92 G CA 0.174 45.279 45.100 0.008 0.000 0.776 92 G HN 0.675 nan 8.290 nan 0.000 0.541 93 N N -0.804 117.900 118.700 0.006 0.000 2.371 93 N HA 0.128 4.867 4.740 -0.001 0.000 0.280 93 N C -0.379 175.135 175.510 0.006 0.000 1.084 93 N CA -0.439 52.612 53.050 0.001 0.000 0.892 93 N CB 1.614 40.096 38.487 -0.008 0.000 1.653 93 N HN -0.190 nan 8.380 nan 0.000 0.480 94 S N 1.707 117.410 115.700 0.005 0.000 2.575 94 S HA 0.083 4.552 4.470 -0.001 0.000 0.215 94 S C 0.985 175.590 174.600 0.008 0.000 0.966 94 S CA 0.004 58.209 58.200 0.007 0.000 0.911 94 S CB 0.079 63.282 63.200 0.006 0.000 0.780 94 S HN 0.581 nan 8.310 nan 0.000 0.514 95 E N 0.585 120.789 120.200 0.006 0.000 2.401 95 E HA -0.011 4.339 4.350 -0.001 0.000 0.199 95 E C 1.398 178.004 176.600 0.010 0.000 1.023 95 E CA 0.446 56.850 56.400 0.006 0.000 0.859 95 E CB -0.172 29.530 29.700 0.003 0.000 0.780 95 E HN 0.532 nan 8.360 nan 0.000 0.523 96 G N 2.299 111.107 108.800 0.013 0.000 2.143 96 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.248 96 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.248 96 G C -0.130 174.781 174.900 0.020 0.000 0.991 96 G CA 0.334 45.444 45.100 0.017 0.000 0.689 96 G HN 0.347 nan 8.290 nan 0.000 0.522 97 D N 0.570 120.982 120.400 0.019 0.000 2.424 97 D HA 0.218 4.858 4.640 -0.001 0.000 0.244 97 D C -0.043 176.277 176.300 0.033 0.000 1.134 97 D CA -0.936 53.077 54.000 0.022 0.000 0.881 97 D CB 1.306 42.116 40.800 0.016 0.000 1.191 97 D HN 0.131 nan 8.370 nan 0.000 0.445 98 P HA -0.152 nan 4.420 nan 0.000 0.219 98 P C 1.555 178.895 177.300 0.066 0.000 1.146 98 P CA 0.807 63.937 63.100 0.050 0.000 0.808 98 P CB -0.107 31.619 31.700 0.044 0.000 0.779 99 V N -2.427 117.523 119.914 0.060 0.000 2.720 99 V HA 0.002 4.122 4.120 -0.001 0.000 0.256 99 V C 2.251 178.394 176.094 0.081 0.000 1.082 99 V CA 2.000 64.344 62.300 0.072 0.000 1.101 99 V CB -2.038 29.816 31.823 0.052 0.000 0.693 99 V HN 0.109 nan 8.190 nan 0.000 0.479 100 G N 0.073 108.914 108.800 0.068 0.000 2.572 100 G HA2 0.014 3.974 3.960 -0.001 0.000 0.216 100 G HA3 0.014 3.974 3.960 -0.001 0.000 0.216 100 G C 0.979 175.946 174.900 0.111 0.000 1.133 100 G CA -0.394 44.751 45.100 0.075 0.000 0.791 100 G HN 0.561 nan 8.290 nan 0.000 0.538 101 R N 0.119 120.687 120.500 0.114 0.000 2.623 101 R HA 0.224 4.563 4.340 -0.001 0.000 0.271 101 R C -0.105 176.318 176.300 0.205 0.000 1.043 101 R CA -0.305 55.874 56.100 0.133 0.000 1.083 101 R CB 0.722 31.088 30.300 0.110 0.000 0.974 101 R HN 0.126 nan 8.270 nan 0.000 0.436 102 L N 2.647 124.000 121.223 0.216 0.000 2.455 102 L HA 0.061 4.401 4.340 -0.001 0.000 0.272 102 L C 0.092 177.147 176.870 0.309 0.000 1.174 102 L CA -0.304 54.726 54.840 0.317 0.000 0.869 102 L CB 0.709 42.881 42.059 0.189 0.000 1.130 102 L HN 0.351 nan 8.230 nan 0.000 0.474 103 V N 4.210 124.439 119.914 0.525 0.000 2.338 103 V HA 0.008 4.128 4.120 -0.001 0.000 0.255 103 V C 0.916 177.327 176.094 0.527 0.000 1.082 103 V CA -0.148 62.466 62.300 0.523 0.000 0.951 103 V CB -0.203 32.042 31.823 0.703 0.000 1.102 103 V HN 0.972 nan 8.190 nan 0.000 0.489 104 N N 4.735 123.562 118.700 0.213 0.000 2.686 104 N HA -0.140 4.599 4.740 -0.001 0.000 0.261 104 N C -1.397 174.109 175.510 -0.006 0.000 1.001 104 N CA 0.181 53.280 53.050 0.082 0.000 0.764 104 N CB 0.431 38.930 38.487 0.020 0.000 0.898 104 N HN 0.509 nan 8.380 nan 0.000 0.544 105 P HA -0.153 nan 4.420 nan 0.000 0.222 105 P C 1.209 178.219 177.300 -0.483 0.000 1.147 105 P CA 1.480 63.929 63.100 -1.084 0.000 0.790 105 P CB -0.121 30.833 31.700 -1.243 0.000 0.780 106 T N -4.108 110.325 114.554 -0.203 0.000 3.129 106 T HA 0.339 4.688 4.350 -0.001 0.000 0.251 106 T C 1.859 176.536 174.700 -0.038 0.000 1.117 106 T CA 0.481 62.560 62.100 -0.035 0.000 1.034 106 T CB -0.647 68.220 68.868 -0.002 0.000 0.968 106 T HN -0.022 nan 8.240 nan 0.000 0.526 107 A N 1.891 124.681 122.820 -0.051 0.000 1.917 107 A HA 0.172 4.491 4.320 -0.001 0.000 0.219 107 A C 2.800 180.295 177.584 -0.149 0.000 1.182 107 A CA 1.841 53.826 52.037 -0.086 0.000 0.633 107 A CB -1.433 17.473 19.000 -0.156 0.000 0.819 107 A HN 0.788 nan 8.150 nan 0.000 0.448 108 A N -1.016 121.677 122.820 -0.211 0.000 1.978 108 A HA 0.019 4.339 4.320 -0.001 0.000 0.220 108 A C 0.884 177.837 177.584 -1.051 0.000 1.170 108 A CA 0.791 52.527 52.037 -0.501 0.000 0.636 108 A CB -0.673 18.026 19.000 -0.502 0.000 0.810 108 A HN 0.414 nan 8.150 nan 0.000 0.448 109 F N 0.574 120.187 119.950 -0.561 0.000 2.662 109 F HA 0.472 4.998 4.527 -0.000 0.000 0.365 109 F C 0.732 176.343 175.800 -0.316 0.000 1.222 109 F CA 0.149 57.790 58.000 -0.598 0.000 1.315 109 F CB -0.562 38.290 39.000 -0.247 0.000 1.711 109 F HN 0.245 nan 8.300 nan 0.000 0.651 110 A N 2.178 124.894 122.820 -0.174 0.000 2.442 110 A HA 0.642 4.961 4.320 -0.001 0.000 0.284 110 A C -0.556 177.153 177.584 0.208 0.000 1.058 110 A CA -0.579 51.487 52.037 0.049 0.000 0.738 110 A CB 0.492 19.489 19.000 -0.004 0.000 1.242 110 A HN 0.365 nan 8.150 nan 0.000 0.421 111 I N 3.299 124.014 120.570 0.241 0.000 2.347 111 I HA 0.112 4.282 4.170 -0.001 0.000 0.294 111 I C -0.355 175.827 176.117 0.109 0.000 1.090 111 I CA -0.183 61.244 61.300 0.212 0.000 1.314 111 I CB 0.498 38.585 38.000 0.145 0.000 1.423 111 I HN 0.530 nan 8.210 nan 0.000 0.503 112 D N 6.219 126.675 120.400 0.094 0.000 2.350 112 D HA 0.078 4.718 4.640 -0.001 0.000 0.249 112 D C 1.192 177.510 176.300 0.029 0.000 1.119 112 D CA -0.013 54.017 54.000 0.049 0.000 0.886 112 D CB 2.432 43.256 40.800 0.040 0.000 1.195 112 D HN 0.547 nan 8.370 nan 0.000 0.437 113 I N 1.389 121.972 120.570 0.021 0.000 2.394 113 I HA -0.195 3.975 4.170 -0.001 0.000 0.251 113 I C 1.074 177.190 176.117 -0.001 0.000 1.136 113 I CA 0.779 62.084 61.300 0.009 0.000 1.425 113 I CB 0.246 38.253 38.000 0.011 0.000 1.079 113 I HN 0.275 nan 8.210 nan 0.000 0.425 114 S N -0.077 115.624 115.700 0.002 0.000 2.687 114 S HA 0.676 5.145 4.470 -0.001 0.000 0.283 114 S C 0.310 174.907 174.600 -0.005 0.000 1.170 114 S CA -0.038 58.159 58.200 -0.004 0.000 1.008 114 S CB 1.403 64.604 63.200 0.001 0.000 1.026 114 S HN 0.728 nan 8.310 nan 0.000 0.541 115 G N 1.032 109.825 108.800 -0.011 0.000 2.796 115 G HA2 -0.087 3.872 3.960 -0.001 0.000 0.226 115 G HA3 -0.087 3.872 3.960 -0.001 0.000 0.226 115 G C -3.079 171.810 174.900 -0.019 0.000 1.381 115 G CA -0.502 44.592 45.100 -0.011 0.000 0.867 115 G HN 0.841 nan 8.290 nan 0.000 0.552 116 P HA 0.517 nan 4.420 nan 0.000 0.276 116 P C 0.378 177.647 177.300 -0.052 0.000 1.235 116 P CA 0.631 63.709 63.100 -0.035 0.000 0.772 116 P CB 0.926 32.614 31.700 -0.020 0.000 0.871 117 A N 3.614 126.370 122.820 -0.108 0.000 2.429 117 A HA 0.140 4.460 4.320 -0.001 0.000 0.242 117 A C 1.192 178.636 177.584 -0.233 0.000 1.088 117 A CA -0.293 51.635 52.037 -0.182 0.000 0.784 117 A CB -0.617 18.186 19.000 -0.327 0.000 1.038 117 A HN 0.635 nan 8.150 nan 0.000 0.501 118 F N 0.489 120.351 119.950 -0.145 0.000 2.250 118 F HA -0.110 4.417 4.527 -0.001 0.000 0.301 118 F C 1.758 177.345 175.800 -0.355 0.000 1.077 118 F CA 1.502 59.368 58.000 -0.223 0.000 1.348 118 F CB -0.697 38.125 39.000 -0.295 0.000 1.040 118 F HN 0.370 nan 8.300 nan 0.000 0.509 119 S N -0.515 114.683 115.700 -0.835 0.000 2.554 119 S HA 0.565 5.035 4.470 -0.001 0.000 0.226 119 S C 1.520 176.012 174.600 -0.180 0.000 0.980 119 S CA -0.069 57.840 58.200 -0.486 0.000 0.939 119 S CB -0.143 62.644 63.200 -0.688 0.000 0.832 119 S HN 0.426 nan 8.310 nan 0.000 0.486 120 A N 1.653 124.362 122.820 -0.185 0.000 2.208 120 A HA 0.336 4.655 4.320 -0.001 0.000 0.209 120 A C 1.236 178.804 177.584 -0.025 0.000 1.161 120 A CA 0.806 52.785 52.037 -0.096 0.000 0.782 120 A CB -0.568 18.370 19.000 -0.103 0.000 0.816 120 A HN 0.699 nan 8.150 nan 0.000 0.477 121 T N -2.683 111.879 114.554 0.013 0.000 2.930 121 T HA 0.639 4.988 4.350 -0.001 0.000 0.290 121 T C -0.308 174.446 174.700 0.091 0.000 1.052 121 T CA 0.010 62.134 62.100 0.041 0.000 1.017 121 T CB 1.702 70.595 68.868 0.041 0.000 1.137 121 T HN 0.378 nan 8.240 nan 0.000 0.511 122 T N -1.135 113.469 114.554 0.083 0.000 2.901 122 T HA 0.785 5.135 4.350 -0.001 0.000 0.293 122 T C -0.359 174.401 174.700 0.099 0.000 1.084 122 T CA -1.083 61.088 62.100 0.118 0.000 1.008 122 T CB 1.263 70.195 68.868 0.107 0.000 1.170 122 T HN 1.116 nan 8.240 nan 0.000 0.509 123 I N -1.916 118.732 120.570 0.130 0.000 2.828 123 I HA 0.755 4.924 4.170 -0.001 0.000 0.302 123 I C -3.009 173.193 176.117 0.142 0.000 1.101 123 I CA -3.225 58.119 61.300 0.073 0.000 1.031 123 I CB 2.050 39.992 38.000 -0.097 0.000 1.231 123 I HN 0.365 nan 8.210 nan 0.000 0.427 124 P HA 0.306 nan 4.420 nan 0.000 0.270 124 P C -2.592 174.733 177.300 0.042 0.000 1.223 124 P CA -1.068 62.083 63.100 0.084 0.000 0.785 124 P CB -0.518 31.201 31.700 0.031 0.000 0.923 125 P HA -0.028 nan 4.420 nan 0.000 0.267 125 P C -0.448 176.600 177.300 -0.419 0.000 1.200 125 P CA 0.239 63.311 63.100 -0.046 0.000 0.772 125 P CB 0.204 31.887 31.700 -0.029 0.000 0.855 126 V N 5.598 125.082 119.914 -0.718 0.000 2.686 126 V HA 0.135 4.255 4.120 -0.001 0.000 0.295 126 V C -1.865 173.733 176.094 -0.826 0.000 1.055 126 V CA -1.506 60.030 62.300 -1.273 0.000 1.050 126 V CB 0.134 30.892 31.823 -1.775 0.000 0.984 126 V HN 0.570 nan 8.190 nan 0.000 0.482 127 P HA 0.039 nan 4.420 nan 0.000 0.263 127 P C 0.202 177.323 177.300 -0.298 0.000 1.175 127 P CA 0.262 63.113 63.100 -0.414 0.000 0.761 127 P CB 0.099 31.614 31.700 -0.307 0.000 0.794 128 T N 0.882 115.365 114.554 -0.119 0.000 2.813 128 T HA 0.049 4.399 4.350 -0.001 0.000 0.297 128 T C 1.197 175.930 174.700 0.054 0.000 1.036 128 T CA -0.738 61.357 62.100 -0.009 0.000 1.044 128 T CB 0.272 69.132 68.868 -0.014 0.000 0.993 128 T HN 0.220 nan 8.240 nan 0.000 0.535 129 L N 1.152 122.423 121.223 0.080 0.000 2.043 129 L HA 0.099 4.439 4.340 -0.001 0.000 0.212 129 L C -1.136 175.726 176.870 -0.012 0.000 1.075 129 L CA 1.612 56.474 54.840 0.038 0.000 0.752 129 L CB -2.459 39.541 42.059 -0.098 0.000 0.891 129 L HN 0.520 nan 8.230 nan 0.000 0.432 130 P HA 0.043 nan 4.420 nan 0.000 0.241 130 P C 0.293 177.619 177.300 0.044 0.000 1.191 130 P CA 0.510 63.600 63.100 -0.015 0.000 0.771 130 P CB -0.167 31.509 31.700 -0.039 0.000 0.929 131 S N -0.154 115.575 115.700 0.050 0.000 2.603 131 S HA 0.228 4.697 4.470 -0.001 0.000 0.268 131 S C -1.522 173.128 174.600 0.084 0.000 1.317 131 S CA -1.036 57.193 58.200 0.047 0.000 1.012 131 S CB 0.330 63.538 63.200 0.013 0.000 0.926 131 S HN -0.058 nan 8.310 nan 0.000 0.539 132 P HA 0.043 nan 4.420 nan 0.000 0.220 132 P C 0.857 178.216 177.300 0.099 0.000 1.152 132 P CA 0.905 64.058 63.100 0.087 0.000 0.812 132 P CB 0.004 31.745 31.700 0.069 0.000 0.792 133 E N 0.104 120.347 120.200 0.073 0.000 2.051 133 E HA -0.148 4.202 4.350 -0.001 0.000 0.192 133 E C 2.012 178.685 176.600 0.122 0.000 0.991 133 E CA 0.794 57.240 56.400 0.076 0.000 0.799 133 E CB -1.378 28.337 29.700 0.025 0.000 0.748 133 E HN 0.126 nan 8.360 nan 0.000 0.449 134 L N 0.446 121.740 121.223 0.118 0.000 2.042 134 L HA -0.164 4.175 4.340 -0.001 0.000 0.210 134 L C 2.106 179.114 176.870 0.231 0.000 1.076 134 L CA 2.040 56.991 54.840 0.185 0.000 0.749 134 L CB -0.629 41.542 42.059 0.188 0.000 0.893 134 L HN 0.140 nan 8.230 nan 0.000 0.432 135 A N -0.356 122.591 122.820 0.213 0.000 1.883 135 A HA -0.176 4.144 4.320 -0.001 0.000 0.217 135 A C 2.435 180.131 177.584 0.186 0.000 1.186 135 A CA 2.023 54.178 52.037 0.196 0.000 0.624 135 A CB -1.252 17.845 19.000 0.161 0.000 0.822 135 A HN 0.599 nan 8.150 nan 0.000 0.444 136 A N -1.463 121.476 122.820 0.198 0.000 1.968 136 A HA -0.113 4.207 4.320 -0.001 0.000 0.217 136 A C 2.124 179.868 177.584 0.267 0.000 1.169 136 A CA 1.382 53.571 52.037 0.254 0.000 0.638 136 A CB -0.398 18.783 19.000 0.301 0.000 0.812 136 A HN 0.549 nan 8.150 nan 0.000 0.446 137 Q N -0.835 119.093 119.800 0.213 0.000 2.020 137 Q HA -0.187 4.153 4.340 -0.001 0.000 0.202 137 Q C 2.139 178.282 176.000 0.238 0.000 0.982 137 Q CA 1.622 57.521 55.803 0.160 0.000 0.838 137 Q CB -0.566 28.217 28.738 0.075 0.000 0.899 137 Q HN 0.594 nan 8.270 nan 0.000 0.423 138 L N 0.699 122.113 121.223 0.317 0.000 2.093 138 L HA -0.057 4.282 4.340 -0.001 0.000 0.208 138 L C 2.153 179.211 176.870 0.314 0.000 1.085 138 L CA 1.933 56.984 54.840 0.352 0.000 0.755 138 L CB -0.778 41.516 42.059 0.392 0.000 0.904 138 L HN 0.125 nan 8.230 nan 0.000 0.435 139 A N -0.727 122.249 122.820 0.259 0.000 1.902 139 A HA -0.275 4.044 4.320 -0.001 0.000 0.217 139 A C 2.320 180.117 177.584 0.356 0.000 1.181 139 A CA 1.759 53.940 52.037 0.241 0.000 0.623 139 A CB -0.761 18.381 19.000 0.237 0.000 0.818 139 A HN 0.611 nan 8.150 nan 0.000 0.443 140 E N -0.114 120.305 120.200 0.365 0.000 2.085 140 E HA -0.167 4.182 4.350 -0.001 0.000 0.194 140 E C 1.874 178.592 176.600 0.196 0.000 0.994 140 E CA 1.651 58.280 56.400 0.381 0.000 0.801 140 E CB -0.181 29.719 29.700 0.333 0.000 0.743 140 E HN 0.350 nan 8.360 nan 0.000 0.453 141 V N 0.293 120.247 119.914 0.067 0.000 2.261 141 V HA -0.276 3.843 4.120 -0.001 0.000 0.246 141 V C 2.027 178.055 176.094 -0.110 0.000 1.047 141 V CA 2.077 64.312 62.300 -0.108 0.000 1.015 141 V CB -0.855 30.837 31.823 -0.218 0.000 0.642 141 V HN 0.358 nan 8.190 nan 0.000 0.446 142 Y N -1.257 118.982 120.300 -0.103 0.000 2.165 142 Y HA -0.264 4.286 4.550 -0.000 0.000 0.286 142 Y C 2.315 178.109 175.900 -0.176 0.000 1.155 142 Y CA 2.181 60.169 58.100 -0.187 0.000 1.164 142 Y CB -0.515 37.775 38.460 -0.284 0.000 0.978 142 Y HN 0.210 nan 8.280 nan 0.000 0.513 143 W N -0.734 120.658 121.300 0.153 0.000 2.388 143 W HA -0.212 4.448 4.660 -0.001 0.000 0.294 143 W C 2.469 179.053 176.519 0.108 0.000 1.212 143 W CA 1.007 58.444 57.345 0.154 0.000 1.271 143 W CB -0.420 29.186 29.460 0.242 0.000 1.126 143 W HN 0.019 nan 8.180 nan 0.000 0.535 144 M N -0.232 119.415 119.600 0.079 0.000 2.108 144 M HA -0.241 4.239 4.480 -0.001 0.000 0.261 144 M C 2.336 178.564 176.300 -0.121 0.000 1.066 144 M CA 1.966 57.064 55.300 -0.337 0.000 1.107 144 M CB -0.761 31.506 32.600 -0.554 0.000 1.356 144 M HN 0.087 nan 8.290 nan 0.000 0.406 145 A N 0.270 123.027 122.820 -0.105 0.000 1.898 145 A HA -0.111 4.209 4.320 -0.001 0.000 0.216 145 A C 2.041 179.592 177.584 -0.056 0.000 1.181 145 A CA 1.300 53.267 52.037 -0.116 0.000 0.620 145 A CB -0.836 18.058 19.000 -0.177 0.000 0.819 145 A HN 0.471 nan 8.150 nan 0.000 0.442 146 L N -1.089 120.136 121.223 0.003 0.000 2.201 146 L HA -0.093 4.247 4.340 -0.001 0.000 0.212 146 L C 2.615 179.537 176.870 0.086 0.000 1.105 146 L CA 0.880 55.739 54.840 0.031 0.000 0.775 146 L CB -0.315 41.766 42.059 0.037 0.000 0.913 146 L HN 0.422 nan 8.230 nan 0.000 0.440 147 A N -0.669 122.238 122.820 0.146 0.000 2.307 147 A HA 0.025 4.345 4.320 -0.001 0.000 0.218 147 A C 2.097 179.718 177.584 0.060 0.000 1.228 147 A CA -0.026 52.082 52.037 0.119 0.000 0.857 147 A CB -0.326 18.819 19.000 0.243 0.000 0.897 147 A HN 0.234 nan 8.150 nan 0.000 0.495 148 R N 0.441 120.949 120.500 0.013 0.000 2.119 148 R HA -0.148 4.192 4.340 -0.001 0.000 0.246 148 R C 0.373 176.653 176.300 -0.034 0.000 1.146 148 R CA 1.736 57.824 56.100 -0.021 0.000 0.962 148 R CB -0.103 30.168 30.300 -0.048 0.000 0.863 148 R HN 0.446 nan 8.270 nan 0.000 0.442 149 D N -0.118 120.265 120.400 -0.027 0.000 2.342 149 D HA 0.048 4.688 4.640 -0.001 0.000 0.221 149 D C -0.439 175.845 176.300 -0.028 0.000 1.101 149 D CA 0.236 54.218 54.000 -0.030 0.000 0.837 149 D CB 0.570 41.357 40.800 -0.021 0.000 0.938 149 D HN -0.043 nan 8.370 nan 0.000 0.508 150 V N 3.099 123.002 119.914 -0.018 0.000 2.406 150 V HA 0.182 4.302 4.120 -0.001 0.000 0.272 150 V C -2.114 173.980 176.094 0.001 0.000 1.043 150 V CA -1.661 60.651 62.300 0.021 0.000 0.915 150 V CB 1.221 33.065 31.823 0.036 0.000 0.988 150 V HN -0.121 nan 8.190 nan 0.000 0.466 151 P HA 0.138 nan 4.420 nan 0.000 0.268 151 P C 0.508 177.767 177.300 -0.067 0.000 1.204 151 P CA -0.095 62.953 63.100 -0.087 0.000 0.768 151 P CB 0.359 32.065 31.700 0.009 0.000 0.842 152 F N 0.962 120.831 119.950 -0.134 0.000 2.154 152 F HA -0.195 4.332 4.527 -0.001 0.000 0.301 152 F C 2.126 177.747 175.800 -0.298 0.000 1.087 152 F CA 1.621 59.323 58.000 -0.496 0.000 1.274 152 F CB -0.952 37.753 39.000 -0.492 0.000 1.009 152 F HN 0.256 nan 8.300 nan 0.000 0.485 153 M N -0.763 118.862 119.600 0.042 0.000 2.619 153 M HA -0.051 4.429 4.480 -0.001 0.000 0.251 153 M C 1.114 177.452 176.300 0.064 0.000 1.106 153 M CA 1.019 56.317 55.300 -0.003 0.000 1.086 153 M CB -1.026 31.549 32.600 -0.043 0.000 1.465 153 M HN 0.271 nan 8.290 nan 0.000 0.506 154 Q N -1.484 118.388 119.800 0.121 0.000 2.204 154 Q HA 0.035 4.375 4.340 -0.001 0.000 0.209 154 Q C 0.898 177.024 176.000 0.210 0.000 0.861 154 Q CA -0.154 55.728 55.803 0.132 0.000 0.971 154 Q CB 0.318 29.116 28.738 0.100 0.000 1.095 154 Q HN 0.310 nan 8.270 nan 0.000 0.486 155 Y N 0.170 120.477 120.300 0.012 0.000 2.181 155 Y HA -0.106 4.444 4.550 -0.001 0.000 0.288 155 Y C 2.358 178.240 175.900 -0.030 0.000 1.146 155 Y CA 1.469 59.566 58.100 -0.005 0.000 1.164 155 Y CB -0.576 37.895 38.460 0.019 0.000 0.982 155 Y HN 0.221 nan 8.280 nan 0.000 0.515 156 G N -1.864 107.018 108.800 0.137 0.000 2.534 156 G HA2 -0.148 3.812 3.960 -0.001 0.000 0.217 156 G HA3 -0.148 3.812 3.960 -0.001 0.000 0.217 156 G C 1.507 176.419 174.900 0.019 0.000 1.128 156 G CA 1.513 46.644 45.100 0.052 0.000 0.784 156 G HN 0.485 nan 8.290 nan 0.000 0.542 157 T N -3.585 110.985 114.554 0.027 0.000 2.978 157 T HA 0.153 4.503 4.350 -0.001 0.000 0.248 157 T C 0.639 175.338 174.700 -0.003 0.000 1.018 157 T CA -0.139 61.968 62.100 0.011 0.000 1.026 157 T CB 0.274 69.155 68.868 0.023 0.000 1.032 157 T HN 0.052 nan 8.240 nan 0.000 0.485 158 D N 2.213 122.611 120.400 -0.003 0.000 2.417 158 D HA 0.035 4.675 4.640 -0.001 0.000 0.250 158 D C 0.560 176.830 176.300 -0.050 0.000 1.166 158 D CA 0.194 54.182 54.000 -0.021 0.000 0.881 158 D CB 1.484 42.270 40.800 -0.024 0.000 1.164 158 D HN 0.253 nan 8.370 nan 0.000 0.467 159 D N 3.390 123.770 120.400 -0.034 0.000 2.149 159 D HA -0.187 4.453 4.640 -0.001 0.000 0.198 159 D C 1.931 178.202 176.300 -0.047 0.000 0.990 159 D CA 1.201 55.178 54.000 -0.039 0.000 0.839 159 D CB 0.080 40.871 40.800 -0.015 0.000 0.948 159 D HN 0.519 nan 8.370 nan 0.000 0.460 160 I N 0.232 120.787 120.570 -0.025 0.000 2.163 160 I HA -0.283 3.887 4.170 -0.001 0.000 0.243 160 I C 2.480 178.530 176.117 -0.112 0.000 1.085 160 I CA 1.809 63.119 61.300 0.016 0.000 1.347 160 I CB -0.601 37.428 38.000 0.050 0.000 1.044 160 I HN 0.238 nan 8.210 nan 0.000 0.408 161 T N -2.276 112.140 114.554 -0.229 0.000 2.978 161 T HA 0.018 4.368 4.350 -0.001 0.000 0.262 161 T C 1.865 176.336 174.700 -0.380 0.000 1.063 161 T CA 0.521 62.367 62.100 -0.423 0.000 1.140 161 T CB -0.660 67.781 68.868 -0.712 0.000 0.886 161 T HN 0.100 nan 8.240 nan 0.000 0.470 162 V N 2.324 122.088 119.914 -0.249 0.000 2.332 162 V HA -0.192 3.927 4.120 -0.001 0.000 0.248 162 V C 2.994 178.925 176.094 -0.273 0.000 1.055 162 V CA 2.415 64.590 62.300 -0.209 0.000 1.038 162 V CB -1.119 30.629 31.823 -0.126 0.000 0.651 162 V HN 0.589 nan 8.190 nan 0.000 0.450 163 T N -0.002 114.381 114.554 -0.286 0.000 2.857 163 T HA -0.052 4.298 4.350 -0.001 0.000 0.266 163 T C 2.059 176.331 174.700 -0.713 0.000 1.048 163 T CA 1.258 63.154 62.100 -0.339 0.000 1.139 163 T CB -0.380 68.386 68.868 -0.170 0.000 0.874 163 T HN 0.553 nan 8.240 nan 0.000 0.455 164 A N 1.840 124.032 122.820 -1.047 0.000 1.892 164 A HA 0.027 4.347 4.320 -0.001 0.000 0.218 164 A C 2.672 179.604 177.584 -1.086 0.000 1.188 164 A CA 2.047 53.054 52.037 -1.716 0.000 0.631 164 A CB -1.261 17.087 19.000 -1.086 0.000 0.822 164 A HN 0.512 nan 8.150 nan 0.000 0.447 165 A N -0.368 122.032 122.820 -0.701 0.000 1.883 165 A HA 0.118 4.437 4.320 -0.001 0.000 0.217 165 A C 2.521 179.830 177.584 -0.457 0.000 1.186 165 A CA 2.395 54.123 52.037 -0.515 0.000 0.624 165 A CB -1.035 17.756 19.000 -0.347 0.000 0.822 165 A HN 1.127 nan 8.150 nan 0.000 0.444 166 A N -0.134 122.452 122.820 -0.390 0.000 1.897 166 A HA -0.167 4.153 4.320 -0.001 0.000 0.215 166 A C 2.080 179.485 177.584 -0.298 0.000 1.181 166 A CA 1.562 53.431 52.037 -0.281 0.000 0.620 166 A CB -0.698 18.179 19.000 -0.204 0.000 0.821 166 A HN 0.668 nan 8.150 nan 0.000 0.443 167 N N 0.307 118.783 118.700 -0.373 0.000 2.043 167 N HA -0.148 4.592 4.740 -0.001 0.000 0.193 167 N C 1.810 177.159 175.510 -0.268 0.000 1.037 167 N CA 1.747 54.650 53.050 -0.245 0.000 0.851 167 N CB -0.235 38.167 38.487 -0.142 0.000 1.027 167 N HN 0.482 nan 8.380 nan 0.000 0.422 168 L N 0.890 121.813 121.223 -0.501 0.000 2.046 168 L HA -0.122 4.217 4.340 -0.001 0.000 0.208 168 L C 2.698 179.060 176.870 -0.847 0.000 1.077 168 L CA 1.299 55.726 54.840 -0.688 0.000 0.747 168 L CB -0.495 40.926 42.059 -1.063 0.000 0.896 168 L HN 0.205 nan 8.230 nan 0.000 0.432 169 A N -0.009 122.405 122.820 -0.677 0.000 2.019 169 A HA -0.111 4.209 4.320 -0.001 0.000 0.219 169 A C 2.249 179.768 177.584 -0.110 0.000 1.164 169 A CA 1.623 53.469 52.037 -0.318 0.000 0.644 169 A CB -0.953 17.943 19.000 -0.175 0.000 0.805 169 A HN 0.466 nan 8.150 nan 0.000 0.449 170 G N -1.424 107.298 108.800 -0.129 0.000 2.880 170 G HA2 0.255 4.214 3.960 -0.001 0.000 0.209 170 G HA3 0.255 4.214 3.960 -0.001 0.000 0.209 170 G C 0.645 175.545 174.900 -0.000 0.000 1.157 170 G CA -0.276 44.798 45.100 -0.044 0.000 0.779 170 G HN 0.452 nan 8.290 nan 0.000 0.539 171 M N 0.987 120.592 119.600 0.009 0.000 2.219 171 M HA 0.132 4.612 4.480 -0.001 0.000 0.353 171 M C 1.440 177.809 176.300 0.115 0.000 1.304 171 M CA -0.092 55.252 55.300 0.073 0.000 1.115 171 M CB 1.494 34.159 32.600 0.108 0.000 1.664 171 M HN 0.259 nan 8.290 nan 0.000 0.459 172 E N 3.022 123.276 120.200 0.089 0.000 2.086 172 E HA -0.226 4.124 4.350 -0.001 0.000 0.205 172 E C 1.590 178.253 176.600 0.105 0.000 1.027 172 E CA 1.994 58.444 56.400 0.084 0.000 0.830 172 E CB 0.007 29.744 29.700 0.062 0.000 0.751 172 E HN 1.028 nan 8.360 nan 0.000 0.456 173 G N -0.702 108.171 108.800 0.120 0.000 2.813 173 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.209 173 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.209 173 G C 1.111 176.095 174.900 0.139 0.000 1.150 173 G CA 0.021 45.187 45.100 0.109 0.000 0.785 173 G HN 0.316 nan 8.290 nan 0.000 0.535 174 F N 2.641 122.618 119.950 0.045 0.000 2.126 174 F HA -0.027 4.500 4.527 -0.000 0.000 0.299 174 F C -0.158 175.664 175.800 0.036 0.000 1.096 174 F CA 1.108 59.135 58.000 0.045 0.000 1.255 174 F CB -0.546 38.478 39.000 0.040 0.000 0.997 174 F HN 0.098 nan 8.300 nan 0.000 0.479 175 P HA -0.109 nan 4.420 nan 0.000 0.225 175 P C 0.083 177.331 177.300 -0.087 0.000 1.148 175 P CA 1.647 64.725 63.100 -0.036 0.000 0.779 175 P CB -0.217 31.514 31.700 0.052 0.000 0.780 176 N N -1.346 117.313 118.700 -0.067 0.000 2.270 176 N HA 0.103 4.843 4.740 -0.001 0.000 0.198 176 N C 0.150 175.611 175.510 -0.083 0.000 1.117 176 N CA -0.235 52.783 53.050 -0.053 0.000 0.845 176 N CB -0.054 38.424 38.487 -0.015 0.000 0.980 176 N HN 0.111 nan 8.380 nan 0.000 0.486 177 L N 0.990 122.110 121.223 -0.171 0.000 2.464 177 L HA 0.116 4.455 4.340 -0.001 0.000 0.264 177 L C -0.075 176.722 176.870 -0.121 0.000 1.199 177 L CA -0.280 54.469 54.840 -0.152 0.000 0.818 177 L CB 0.267 42.177 42.059 -0.249 0.000 1.102 177 L HN 0.106 nan 8.230 nan 0.000 0.473 178 D N 2.024 122.392 120.400 -0.052 0.000 2.451 178 D HA 0.250 4.890 4.640 -0.001 0.000 0.254 178 D C 0.778 177.025 176.300 -0.087 0.000 1.204 178 D CA 0.777 54.761 54.000 -0.027 0.000 0.896 178 D CB 0.422 41.242 40.800 0.033 0.000 1.136 178 D HN 0.747 nan 8.370 nan 0.000 0.499 179 A N 1.967 124.733 122.820 -0.088 0.000 2.704 179 A HA -0.190 4.130 4.320 -0.001 0.000 0.299 179 A C 0.576 178.077 177.584 -0.138 0.000 1.507 179 A CA 0.339 52.295 52.037 -0.135 0.000 0.776 179 A CB -1.670 17.114 19.000 -0.360 0.000 1.027 179 A HN 0.534 nan 8.150 nan 0.000 0.475 180 V N 0.575 120.406 119.914 -0.137 0.000 2.637 180 V HA 0.471 4.591 4.120 -0.001 0.000 0.296 180 V C 0.968 177.008 176.094 -0.090 0.000 1.046 180 V CA 0.697 62.892 62.300 -0.176 0.000 1.066 180 V CB 1.611 33.182 31.823 -0.419 0.000 0.968 180 V HN 1.385 nan 8.190 nan 0.000 0.483 181 S N 7.408 123.096 115.700 -0.020 0.000 2.430 181 S HA 0.624 5.094 4.470 -0.001 0.000 0.289 181 S C -0.675 173.969 174.600 0.073 0.000 1.143 181 S CA -0.492 57.722 58.200 0.023 0.000 1.067 181 S CB 0.016 63.239 63.200 0.039 0.000 0.964 181 S HN 0.763 nan 8.310 nan 0.000 0.485 182 I N 3.492 124.096 120.570 0.058 0.000 2.908 182 I HA 0.593 4.763 4.170 -0.001 0.000 0.300 182 I C 0.296 176.446 176.117 0.055 0.000 1.385 182 I CA -0.727 60.627 61.300 0.090 0.000 1.004 182 I CB 1.725 39.800 38.000 0.123 0.000 1.309 182 I HN 0.758 nan 8.210 nan 0.000 0.449 183 G N 2.103 110.933 108.800 0.050 0.000 2.606 183 G HA2 0.246 4.206 3.960 -0.001 0.000 0.252 183 G HA3 0.246 4.206 3.960 -0.001 0.000 0.252 183 G C 0.920 175.839 174.900 0.031 0.000 1.206 183 G CA 0.225 45.344 45.100 0.033 0.000 0.861 183 G HN 0.858 nan 8.290 nan 0.000 0.561 184 S N -0.439 115.275 115.700 0.023 0.000 2.447 184 S HA -0.152 4.317 4.470 -0.001 0.000 0.233 184 S C 1.492 176.104 174.600 0.019 0.000 1.006 184 S CA 1.479 59.691 58.200 0.020 0.000 0.957 184 S CB -0.076 63.134 63.200 0.017 0.000 0.773 184 S HN 0.705 nan 8.310 nan 0.000 0.507 185 D N 0.580 120.991 120.400 0.018 0.000 2.340 185 D HA 0.209 4.849 4.640 -0.001 0.000 0.220 185 D C 1.428 177.739 176.300 0.018 0.000 1.039 185 D CA 0.631 54.640 54.000 0.014 0.000 0.866 185 D CB -0.650 40.155 40.800 0.009 0.000 0.913 185 D HN 0.563 nan 8.370 nan 0.000 0.523 186 G N 0.130 108.947 108.800 0.029 0.000 2.179 186 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.260 186 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.260 186 G C 0.499 175.422 174.900 0.038 0.000 0.977 186 G CA 0.692 45.817 45.100 0.041 0.000 0.641 186 G HN 0.807 nan 8.290 nan 0.000 0.533 187 T N -2.009 112.557 114.554 0.020 0.000 2.927 187 T HA 0.700 5.050 4.350 -0.001 0.000 0.281 187 T C -0.064 174.643 174.700 0.012 0.000 0.998 187 T CA -0.401 61.696 62.100 -0.004 0.000 1.019 187 T CB 2.740 71.597 68.868 -0.020 0.000 1.061 187 T HN 0.743 nan 8.240 nan 0.000 0.518 188 V N 2.110 122.008 119.914 -0.027 0.000 2.384 188 V HA 0.328 4.448 4.120 -0.001 0.000 0.287 188 V C -0.118 175.952 176.094 -0.040 0.000 1.020 188 V CA -0.774 61.520 62.300 -0.011 0.000 0.850 188 V CB 1.131 32.925 31.823 -0.049 0.000 0.987 188 V HN 1.075 nan 8.190 nan 0.000 0.436 189 D N 7.008 127.404 120.400 -0.006 0.000 2.317 189 D HA 0.276 4.915 4.640 -0.001 0.000 0.252 189 D C -1.546 174.754 176.300 0.000 0.000 1.174 189 D CA -1.512 52.483 54.000 -0.007 0.000 0.866 189 D CB 1.994 42.801 40.800 0.012 0.000 1.127 189 D HN 0.196 nan 8.370 nan 0.000 0.467 190 P HA -0.184 nan 4.420 nan 0.000 0.214 190 P C 1.416 178.825 177.300 0.180 0.000 1.163 190 P CA 0.434 63.542 63.100 0.013 0.000 0.889 190 P CB 0.159 31.837 31.700 -0.037 0.000 0.790 191 L N -0.332 120.974 121.223 0.139 0.000 2.046 191 L HA -0.109 4.231 4.340 -0.001 0.000 0.208 191 L C 2.079 179.006 176.870 0.094 0.000 1.077 191 L CA 2.542 57.457 54.840 0.126 0.000 0.747 191 L CB -1.716 40.382 42.059 0.065 0.000 0.896 191 L HN 0.086 nan 8.230 nan 0.000 0.432 192 S N -3.532 112.210 115.700 0.069 0.000 2.539 192 S HA 0.127 4.597 4.470 -0.001 0.000 0.221 192 S C 1.350 175.978 174.600 0.046 0.000 0.987 192 S CA -0.275 57.949 58.200 0.040 0.000 0.929 192 S CB 0.465 63.678 63.200 0.022 0.000 0.832 192 S HN 0.529 nan 8.310 nan 0.000 0.492 193 Q N -0.291 119.556 119.800 0.077 0.000 2.384 193 Q HA 0.392 4.732 4.340 -0.001 0.000 0.264 193 Q C -0.435 175.640 176.000 0.125 0.000 0.825 193 Q CA -0.350 55.502 55.803 0.081 0.000 0.984 193 Q CB 0.294 29.070 28.738 0.063 0.000 1.183 193 Q HN 0.420 nan 8.270 nan 0.000 0.537 194 L N 2.197 123.474 121.223 0.090 0.000 2.559 194 L HA -0.020 4.320 4.340 -0.001 0.000 0.274 194 L C -0.630 176.352 176.870 0.186 0.000 1.205 194 L CA 0.818 55.619 54.840 -0.065 0.000 0.907 194 L CB -0.369 41.492 42.059 -0.329 0.000 1.153 194 L HN 0.284 nan 8.230 nan 0.000 0.490 195 F N 3.337 123.525 119.950 0.397 0.000 3.093 195 F HA -0.278 4.249 4.527 -0.000 0.000 0.287 195 F C 0.834 176.959 175.800 0.541 0.000 0.882 195 F CA 0.690 58.981 58.000 0.485 0.000 1.063 195 F CB -2.119 37.236 39.000 0.591 0.000 1.097 195 F HN 0.607 nan 8.300 nan 0.000 0.604 196 R N -0.229 120.532 120.500 0.435 0.000 2.943 196 R HA 0.969 5.309 4.340 -0.001 0.000 0.246 196 R C -0.002 176.375 176.300 0.129 0.000 1.201 196 R CA -0.525 55.657 56.100 0.137 0.000 1.056 196 R CB 1.953 32.224 30.300 -0.049 0.000 1.243 196 R HN 0.139 nan 8.270 nan 0.000 0.498 197 A N -0.417 122.337 122.820 -0.109 0.000 2.527 197 A HA 0.381 4.701 4.320 -0.001 0.000 0.293 197 A C 0.314 177.793 177.584 -0.175 0.000 1.117 197 A CA -0.611 51.308 52.037 -0.197 0.000 0.723 197 A CB 1.483 20.195 19.000 -0.481 0.000 1.313 197 A HN 0.779 nan 8.150 nan 0.000 0.411 198 T N -1.171 113.293 114.554 -0.150 0.000 3.148 198 T HA 0.240 4.590 4.350 -0.001 0.000 0.253 198 T C 0.136 174.918 174.700 0.137 0.000 1.134 198 T CA 0.059 62.151 62.100 -0.013 0.000 1.051 198 T CB -0.679 68.201 68.868 0.021 0.000 0.959 198 T HN 0.272 nan 8.240 nan 0.000 0.525 199 F N 2.395 122.317 119.950 -0.046 0.000 2.595 199 F HA 0.202 4.728 4.527 -0.000 0.000 0.359 199 F C 1.012 176.825 175.800 0.021 0.000 1.147 199 F CA -1.917 56.085 58.000 0.003 0.000 1.341 199 F CB -0.091 38.858 39.000 -0.085 0.000 1.104 199 F HN -0.094 nan 8.300 nan 0.000 0.603 200 V N 3.105 123.160 119.914 0.235 0.000 2.625 200 V HA 0.208 4.328 4.120 -0.001 0.000 0.305 200 V C 1.166 177.321 176.094 0.101 0.000 1.055 200 V CA 1.334 63.713 62.300 0.132 0.000 1.209 200 V CB -0.212 31.672 31.823 0.102 0.000 0.877 200 V HN 1.112 nan 8.190 nan 0.000 0.489 201 G N 3.435 112.265 108.800 0.050 0.000 2.234 201 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.260 201 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.260 201 G C 0.658 175.530 174.900 -0.046 0.000 0.987 201 G CA 0.363 45.467 45.100 0.007 0.000 0.625 201 G HN 0.703 nan 8.290 nan 0.000 0.532 202 V N 0.633 120.517 119.914 -0.050 0.000 2.490 202 V HA -0.089 4.031 4.120 -0.001 0.000 0.250 202 V C 2.359 178.336 176.094 -0.194 0.000 1.061 202 V CA 2.764 64.973 62.300 -0.152 0.000 1.064 202 V CB -0.273 31.447 31.823 -0.173 0.000 0.670 202 V HN 0.648 nan 8.190 nan 0.000 0.461 203 E N -0.783 119.347 120.200 -0.118 0.000 2.478 203 E HA 0.025 4.375 4.350 -0.001 0.000 0.194 203 E C 0.482 177.035 176.600 -0.078 0.000 1.045 203 E CA 0.086 56.428 56.400 -0.097 0.000 0.868 203 E CB 0.154 29.828 29.700 -0.045 0.000 0.885 203 E HN 0.472 nan 8.360 nan 0.000 0.505 204 T N 1.194 115.701 114.554 -0.079 0.000 2.806 204 T HA 0.469 4.818 4.350 -0.001 0.000 0.290 204 T C 0.448 175.071 174.700 -0.129 0.000 0.966 204 T CA 0.102 62.169 62.100 -0.055 0.000 1.060 204 T CB 1.353 70.208 68.868 -0.023 0.000 0.927 204 T HN 0.389 nan 8.240 nan 0.000 0.485 205 G N 5.026 113.762 108.800 -0.106 0.000 2.645 205 G HA2 -0.139 3.821 3.960 -0.001 0.000 0.239 205 G HA3 -0.139 3.821 3.960 -0.001 0.000 0.239 205 G C -2.770 171.918 174.900 -0.354 0.000 1.331 205 G CA -1.218 43.664 45.100 -0.364 0.000 0.890 205 G HN 0.689 nan 8.290 nan 0.000 0.572 206 P HA 0.316 nan 4.420 nan 0.000 0.270 206 P C 0.721 177.864 177.300 -0.261 0.000 1.223 206 P CA -0.286 62.621 63.100 -0.321 0.000 0.785 206 P CB 0.249 31.777 31.700 -0.287 0.000 0.923 207 F N 1.443 121.138 119.950 -0.425 0.000 2.134 207 F HA -0.060 4.467 4.527 -0.001 0.000 0.299 207 F C 0.967 176.488 175.800 -0.465 0.000 1.097 207 F CA 1.316 58.992 58.000 -0.540 0.000 1.264 207 F CB 0.160 38.525 39.000 -1.059 0.000 1.001 207 F HN 0.120 nan 8.300 nan 0.000 0.479 208 I N 0.800 121.292 120.570 -0.129 0.000 2.395 208 I HA 0.044 4.214 4.170 -0.001 0.000 0.289 208 I C 0.802 176.849 176.117 -0.117 0.000 1.023 208 I CA -0.190 61.075 61.300 -0.058 0.000 1.350 208 I CB 0.497 38.528 38.000 0.053 0.000 1.409 208 I HN -0.104 nan 8.210 nan 0.000 0.507 209 S N 4.496 120.132 115.700 -0.107 0.000 2.554 209 S HA -0.072 4.397 4.470 -0.001 0.000 0.290 209 S C 1.311 175.826 174.600 -0.142 0.000 1.309 209 S CA -0.179 57.945 58.200 -0.126 0.000 1.047 209 S CB 0.520 63.684 63.200 -0.061 0.000 0.828 209 S HN 0.500 nan 8.310 nan 0.000 0.509 210 Q N 3.021 122.659 119.800 -0.270 0.000 2.226 210 Q HA -0.037 4.303 4.340 -0.001 0.000 0.204 210 Q C 1.899 177.804 176.000 -0.159 0.000 0.975 210 Q CA 1.267 56.835 55.803 -0.392 0.000 0.866 210 Q CB -0.354 27.716 28.738 -1.114 0.000 0.915 210 Q HN 0.757 nan 8.270 nan 0.000 0.440 211 L N -0.556 120.639 121.223 -0.047 0.000 2.362 211 L HA -0.122 4.217 4.340 -0.001 0.000 0.219 211 L C 1.597 178.524 176.870 0.094 0.000 1.134 211 L CA 0.261 55.148 54.840 0.079 0.000 0.807 211 L CB -0.195 41.913 42.059 0.082 0.000 0.927 211 L HN 0.144 nan 8.230 nan 0.000 0.447 212 L N -0.971 120.298 121.223 0.077 0.000 2.513 212 L HA 0.051 4.391 4.340 -0.001 0.000 0.222 212 L C 1.887 178.864 176.870 0.180 0.000 1.096 212 L CA 0.976 55.891 54.840 0.124 0.000 0.857 212 L CB 0.334 42.459 42.059 0.110 0.000 1.026 212 L HN 0.155 nan 8.230 nan 0.000 0.469 213 V N -4.976 115.017 119.914 0.130 0.000 3.605 213 V HA 0.346 4.465 4.120 -0.001 0.000 0.284 213 V C 0.762 176.930 176.094 0.124 0.000 1.386 213 V CA -0.351 62.028 62.300 0.132 0.000 1.053 213 V CB -0.071 31.745 31.823 -0.012 0.000 0.857 213 V HN 0.206 nan 8.190 nan 0.000 0.436 214 N N 1.405 120.204 118.700 0.165 0.000 2.492 214 N HA 0.416 5.156 4.740 -0.001 0.000 0.289 214 N C -0.111 175.569 175.510 0.284 0.000 1.133 214 N CA -0.101 53.071 53.050 0.203 0.000 0.961 214 N CB 1.769 40.403 38.487 0.245 0.000 1.186 214 N HN 0.273 nan 8.380 nan 0.000 0.493 215 S N 0.769 116.608 115.700 0.233 0.000 2.568 215 S HA 0.213 4.683 4.470 -0.001 0.000 0.282 215 S C -0.191 174.554 174.600 0.240 0.000 1.338 215 S CA -0.049 58.252 58.200 0.169 0.000 1.045 215 S CB -0.166 63.084 63.200 0.083 0.000 0.873 215 S HN 0.435 nan 8.310 nan 0.000 0.516 216 F N -0.877 119.146 119.950 0.122 0.000 2.577 216 F HA 0.760 5.287 4.527 -0.001 0.000 0.318 216 F C -0.295 175.560 175.800 0.091 0.000 1.065 216 F CA -0.927 57.139 58.000 0.111 0.000 0.929 216 F CB 1.033 40.104 39.000 0.118 0.000 1.237 216 F HN 0.268 nan 8.300 nan 0.000 0.468 217 T N 4.185 118.861 114.554 0.202 0.000 2.797 217 T HA 0.573 4.923 4.350 -0.001 0.000 0.279 217 T C -1.025 173.786 174.700 0.185 0.000 0.991 217 T CA -0.415 61.740 62.100 0.091 0.000 0.979 217 T CB 1.243 70.150 68.868 0.066 0.000 0.943 217 T HN 0.781 nan 8.240 nan 0.000 0.444 218 I N 2.801 123.457 120.570 0.144 0.000 2.447 218 I HA 0.287 4.457 4.170 -0.001 0.000 0.287 218 I C -0.903 175.267 176.117 0.088 0.000 1.023 218 I CA -0.470 60.934 61.300 0.173 0.000 1.083 218 I CB 1.029 39.201 38.000 0.286 0.000 1.245 218 I HN 0.565 nan 8.210 nan 0.000 0.434 219 D N 5.230 125.667 120.400 0.061 0.000 2.689 219 D HA -0.196 4.444 4.640 -0.001 0.000 0.237 219 D C 0.646 176.961 176.300 0.025 0.000 1.148 219 D CA 1.496 55.516 54.000 0.033 0.000 0.656 219 D CB -1.069 39.751 40.800 0.032 0.000 1.050 219 D HN 0.770 nan 8.370 nan 0.000 0.426 220 S N -2.255 113.460 115.700 0.025 0.000 3.380 220 S HA -0.266 4.204 4.470 -0.001 0.000 0.300 220 S C 0.558 175.161 174.600 0.004 0.000 1.255 220 S CA 0.929 59.138 58.200 0.014 0.000 0.963 220 S CB -1.137 62.068 63.200 0.009 0.000 1.106 220 S HN 0.624 nan 8.310 nan 0.000 0.629 221 I N 1.916 122.489 120.570 0.004 0.000 2.328 221 I HA 0.245 4.415 4.170 -0.001 0.000 0.287 221 I C 0.352 176.430 176.117 -0.065 0.000 1.012 221 I CA -0.184 61.103 61.300 -0.022 0.000 1.195 221 I CB 1.612 39.605 38.000 -0.012 0.000 1.350 221 I HN -0.063 nan 8.210 nan 0.000 0.464 222 T N 6.064 120.571 114.554 -0.079 0.000 2.780 222 T HA 0.384 4.733 4.350 -0.001 0.000 0.294 222 T C -0.037 174.539 174.700 -0.207 0.000 0.949 222 T CA -0.316 61.709 62.100 -0.126 0.000 1.074 222 T CB 1.167 69.999 68.868 -0.060 0.000 0.910 222 T HN 0.188 nan 8.240 nan 0.000 0.501 223 V N 4.023 123.686 119.914 -0.418 0.000 2.409 223 V HA 0.356 4.476 4.120 -0.001 0.000 0.291 223 V C 0.218 176.108 176.094 -0.340 0.000 1.020 223 V CA -0.938 61.062 62.300 -0.498 0.000 0.848 223 V CB 1.565 32.782 31.823 -1.010 0.000 0.990 223 V HN 0.856 nan 8.190 nan 0.000 0.430 224 E N 7.525 127.646 120.200 -0.132 0.000 2.200 224 E HA 0.328 4.678 4.350 -0.001 0.000 0.283 224 E C -2.118 174.497 176.600 0.025 0.000 1.015 224 E CA -1.904 54.506 56.400 0.017 0.000 0.819 224 E CB 1.558 31.269 29.700 0.019 0.000 1.081 224 E HN 0.477 nan 8.360 nan 0.000 0.397 225 P HA 0.105 nan 4.420 nan 0.000 0.218 225 P C -1.105 176.200 177.300 0.008 0.000 1.793 225 P CA -0.050 63.169 63.100 0.199 0.000 0.941 225 P CB -0.239 31.687 31.700 0.377 0.000 1.919 226 K N 1.868 122.108 120.400 -0.267 0.000 2.285 226 K HA 0.165 4.485 4.320 -0.001 0.000 0.286 226 K C 0.867 177.383 176.600 -0.140 0.000 1.072 226 K CA -0.333 55.717 56.287 -0.395 0.000 0.913 226 K CB 0.854 33.058 32.500 -0.493 0.000 1.067 226 K HN 0.409 nan 8.250 nan 0.000 0.479 227 Q N 1.389 121.145 119.800 -0.072 0.000 2.204 227 Q HA 0.281 4.621 4.340 -0.001 0.000 0.254 227 Q C -0.727 175.246 176.000 -0.044 0.000 0.981 227 Q CA -0.971 54.814 55.803 -0.030 0.000 0.897 227 Q CB 1.415 30.155 28.738 0.003 0.000 1.273 227 Q HN 0.426 nan 8.270 nan 0.000 0.464 228 E N 0.920 121.094 120.200 -0.043 0.000 2.180 228 E HA 0.134 4.484 4.350 -0.001 0.000 0.283 228 E C -1.069 175.478 176.600 -0.089 0.000 1.061 228 E CA -0.009 56.363 56.400 -0.047 0.000 0.861 228 E CB 1.036 30.715 29.700 -0.035 0.000 1.056 228 E HN 0.572 nan 8.360 nan 0.000 0.407 229 T N 3.094 117.602 114.554 -0.077 0.000 2.905 229 T HA 0.443 4.793 4.350 -0.001 0.000 0.283 229 T C -0.649 174.003 174.700 -0.080 0.000 1.031 229 T CA -0.673 61.346 62.100 -0.135 0.000 1.002 229 T CB 0.349 69.193 68.868 -0.040 0.000 1.200 229 T HN 0.275 nan 8.240 nan 0.000 0.560 230 F N 1.620 121.606 119.950 0.060 0.000 2.450 230 F HA 0.562 5.089 4.527 -0.001 0.000 0.339 230 F C 1.201 177.024 175.800 0.040 0.000 1.146 230 F CA -0.771 57.262 58.000 0.055 0.000 1.267 230 F CB 0.125 39.154 39.000 0.049 0.000 1.178 230 F HN 0.640 nan 8.300 nan 0.000 0.585 231 A N 3.493 126.465 122.820 0.253 0.000 2.366 231 A HA 0.477 4.797 4.320 -0.001 0.000 0.249 231 A C -2.223 175.419 177.584 0.097 0.000 1.084 231 A CA -1.242 50.874 52.037 0.133 0.000 0.794 231 A CB -0.640 18.420 19.000 0.101 0.000 1.034 231 A HN 0.485 nan 8.150 nan 0.000 0.491 232 P HA 0.236 nan 4.420 nan 0.000 0.274 232 P C -0.390 176.895 177.300 -0.026 0.000 1.246 232 P CA 0.143 63.252 63.100 0.015 0.000 0.795 232 P CB 0.719 32.425 31.700 0.010 0.000 1.006 233 D N -2.530 117.836 120.400 -0.057 0.000 2.884 233 D HA -0.145 4.495 4.640 -0.001 0.000 0.186 233 D C 0.168 176.376 176.300 -0.153 0.000 1.520 233 D CA 1.156 55.103 54.000 -0.087 0.000 1.997 233 D CB -1.599 39.162 40.800 -0.065 0.000 1.362 233 D HN 0.188 nan 8.370 nan 0.000 0.474 234 V N 2.685 122.489 119.914 -0.184 0.000 2.585 234 V HA 0.245 4.365 4.120 -0.001 0.000 0.296 234 V C 0.692 176.444 176.094 -0.570 0.000 1.035 234 V CA 0.298 62.397 62.300 -0.335 0.000 1.084 234 V CB 1.179 32.836 31.823 -0.277 0.000 0.953 234 V HN 0.163 nan 8.190 nan 0.000 0.483 235 N N 2.593 120.887 118.700 -0.676 0.000 2.380 235 N HA 0.614 5.354 4.740 -0.001 0.000 0.290 235 N C -1.285 173.655 175.510 -0.949 0.000 1.236 235 N CA -0.486 52.109 53.050 -0.758 0.000 0.780 235 N CB 2.272 40.526 38.487 -0.389 0.000 1.438 235 N HN 0.506 nan 8.380 nan 0.000 0.491 236 Y N -0.453 119.744 120.300 -0.172 0.000 2.662 236 Y HA 0.424 4.974 4.550 -0.000 0.000 0.335 236 Y C 0.853 176.684 175.900 -0.115 0.000 1.066 236 Y CA -0.954 57.063 58.100 -0.139 0.000 1.116 236 Y CB 0.875 39.239 38.460 -0.160 0.000 1.308 236 Y HN 0.405 nan 8.280 nan 0.000 0.502 237 M N -0.032 119.619 119.600 0.084 0.000 2.302 237 M HA -0.195 4.285 4.480 -0.001 0.000 0.200 237 M C 0.076 176.382 176.300 0.010 0.000 0.366 237 M CA 0.674 56.012 55.300 0.063 0.000 0.440 237 M CB -1.566 31.087 32.600 0.088 0.000 1.475 237 M HN 0.516 nan 8.290 nan 0.000 0.905 238 V N -4.327 115.560 119.914 -0.045 0.000 3.528 238 V HA 0.239 4.359 4.120 -0.001 0.000 0.294 238 V C 0.677 176.715 176.094 -0.093 0.000 1.404 238 V CA 0.493 62.728 62.300 -0.108 0.000 1.065 238 V CB 0.466 32.206 31.823 -0.138 0.000 0.904 238 V HN 0.515 nan 8.190 nan 0.000 0.435 239 D N -0.057 120.325 120.400 -0.031 0.000 2.225 239 D HA 0.123 4.763 4.640 -0.001 0.000 0.248 239 D C 0.698 177.037 176.300 0.064 0.000 1.096 239 D CA -0.595 53.411 54.000 0.011 0.000 0.863 239 D CB 1.895 42.709 40.800 0.024 0.000 1.156 239 D HN 0.136 nan 8.370 nan 0.000 0.450 240 F N 3.812 123.732 119.950 -0.050 0.000 2.095 240 F HA -0.229 4.297 4.527 -0.001 0.000 0.298 240 F C 1.633 177.531 175.800 0.163 0.000 1.104 240 F CA 1.641 59.651 58.000 0.017 0.000 1.232 240 F CB 0.182 39.177 39.000 -0.008 0.000 0.987 240 F HN 0.391 nan 8.300 nan 0.000 0.475 241 D N 0.194 120.696 120.400 0.170 0.000 2.117 241 D HA -0.170 4.469 4.640 -0.001 0.000 0.197 241 D C 2.162 178.446 176.300 -0.027 0.000 0.987 241 D CA 1.557 55.599 54.000 0.070 0.000 0.829 241 D CB -0.430 40.437 40.800 0.111 0.000 0.961 241 D HN 0.490 nan 8.370 nan 0.000 0.460 242 E N -0.363 119.840 120.200 0.004 0.000 2.077 242 E HA -0.166 4.183 4.350 -0.001 0.000 0.193 242 E C 1.934 178.502 176.600 -0.053 0.000 0.989 242 E CA 0.632 57.021 56.400 -0.017 0.000 0.800 242 E CB -0.189 29.520 29.700 0.013 0.000 0.746 242 E HN 0.367 nan 8.360 nan 0.000 0.452 243 W N 1.609 122.764 121.300 -0.242 0.000 2.338 243 W HA -0.190 4.470 4.660 -0.000 0.000 0.304 243 W C 1.846 178.155 176.519 -0.350 0.000 1.212 243 W CA 1.237 58.405 57.345 -0.296 0.000 1.264 243 W CB -0.288 28.959 29.460 -0.356 0.000 1.142 243 W HN 0.000 nan 8.180 nan 0.000 0.512 244 L N 0.999 121.936 121.223 -0.476 0.000 2.056 244 L HA -0.238 4.102 4.340 -0.001 0.000 0.207 244 L C 2.347 178.934 176.870 -0.471 0.000 1.078 244 L CA 2.244 56.678 54.840 -0.677 0.000 0.749 244 L CB -0.923 40.893 42.059 -0.404 0.000 0.901 244 L HN 0.173 nan 8.230 nan 0.000 0.433 245 N N 0.361 118.891 118.700 -0.283 0.000 2.069 245 N HA -0.254 4.486 4.740 -0.001 0.000 0.191 245 N C 1.738 177.115 175.510 -0.222 0.000 1.031 245 N CA 1.776 54.714 53.050 -0.186 0.000 0.852 245 N CB -0.107 38.314 38.487 -0.110 0.000 1.018 245 N HN 0.178 nan 8.380 nan 0.000 0.423 246 I N 0.660 121.063 120.570 -0.278 0.000 2.179 246 I HA -0.202 3.967 4.170 -0.001 0.000 0.242 246 I C 2.029 177.932 176.117 -0.358 0.000 1.088 246 I CA 1.232 62.368 61.300 -0.273 0.000 1.357 246 I CB -1.377 36.468 38.000 -0.260 0.000 1.051 246 I HN 0.381 nan 8.210 nan 0.000 0.409 247 Q N 0.509 119.938 119.800 -0.618 0.000 2.170 247 Q HA -0.129 4.211 4.340 -0.001 0.000 0.203 247 Q C 1.495 177.301 176.000 -0.323 0.000 0.976 247 Q CA 0.963 56.381 55.803 -0.641 0.000 0.858 247 Q CB -0.639 27.417 28.738 -1.137 0.000 0.907 247 Q HN 0.531 nan 8.270 nan 0.000 0.433 248 N N -0.305 118.270 118.700 -0.209 0.000 2.370 248 N HA 0.080 4.819 4.740 -0.001 0.000 0.198 248 N C 0.555 176.054 175.510 -0.017 0.000 1.156 248 N CA 0.826 53.874 53.050 -0.002 0.000 0.839 248 N CB 0.701 39.184 38.487 -0.007 0.000 0.989 248 N HN 0.390 nan 8.380 nan 0.000 0.468 249 G N -0.448 108.322 108.800 -0.051 0.000 2.136 249 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.242 249 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.242 249 G C 0.502 175.389 174.900 -0.020 0.000 0.989 249 G CA 0.021 45.111 45.100 -0.016 0.000 0.682 249 G HN 0.583 nan 8.290 nan 0.000 0.522 250 G N 0.064 108.836 108.800 -0.047 0.000 2.599 250 G HA2 0.670 4.629 3.960 -0.001 0.000 0.264 250 G HA3 0.670 4.629 3.960 -0.001 0.000 0.264 250 G C -1.572 173.307 174.900 -0.035 0.000 1.200 250 G CA -0.542 44.535 45.100 -0.038 0.000 0.896 250 G HN 0.268 nan 8.290 nan 0.000 0.536 251 P HA 0.225 nan 4.420 nan 0.000 0.274 251 P C -2.563 174.718 177.300 -0.031 0.000 1.231 251 P CA -1.197 61.893 63.100 -0.017 0.000 0.790 251 P CB 0.495 32.189 31.700 -0.009 0.000 0.951 252 P HA 0.011 nan 4.420 nan 0.000 0.268 252 P C 0.692 177.964 177.300 -0.046 0.000 1.208 252 P CA 0.140 63.210 63.100 -0.050 0.000 0.777 252 P CB 0.147 31.815 31.700 -0.053 0.000 0.875 253 A N 1.696 124.485 122.820 -0.052 0.000 2.014 253 A HA 0.330 4.650 4.320 -0.001 0.000 0.218 253 A C 1.097 178.662 177.584 -0.033 0.000 1.163 253 A CA 1.822 53.841 52.037 -0.030 0.000 0.652 253 A CB -0.866 18.129 19.000 -0.009 0.000 0.808 253 A HN 0.710 nan 8.150 nan 0.000 0.449 254 G N -2.100 106.660 108.800 -0.067 0.000 2.428 254 G HA2 0.474 4.434 3.960 -0.001 0.000 0.304 254 G HA3 0.474 4.434 3.960 -0.001 0.000 0.304 254 G C -3.418 171.419 174.900 -0.105 0.000 1.303 254 G CA -0.238 44.827 45.100 -0.058 0.000 0.825 254 G HN 0.023 nan 8.290 nan 0.000 0.484 255 P HA 0.542 nan 4.420 nan 0.000 0.280 255 P C -0.905 176.304 177.300 -0.150 0.000 1.272 255 P CA -0.298 62.762 63.100 -0.066 0.000 0.819 255 P CB 1.488 33.191 31.700 0.004 0.000 1.122 256 E N -0.023 120.105 120.200 -0.120 0.000 2.301 256 E HA 0.331 4.681 4.350 -0.001 0.000 0.275 256 E C -0.411 176.265 176.600 0.127 0.000 1.030 256 E CA -0.652 55.672 56.400 -0.128 0.000 0.852 256 E CB 0.033 29.692 29.700 -0.069 0.000 1.060 256 E HN 0.269 nan 8.360 nan 0.000 0.401 257 L N 3.408 124.757 121.223 0.211 0.000 2.410 257 L HA 0.199 4.539 4.340 -0.001 0.000 0.273 257 L C -1.117 175.887 176.870 0.224 0.000 1.152 257 L CA 0.551 55.500 54.840 0.183 0.000 0.855 257 L CB 0.010 42.164 42.059 0.160 0.000 1.129 257 L HN 0.449 nan 8.230 nan 0.000 0.463 258 L N 3.678 125.002 121.223 0.168 0.000 2.330 258 L HA 0.442 4.781 4.340 -0.001 0.000 0.271 258 L C -0.240 176.690 176.870 0.101 0.000 1.013 258 L CA -1.017 53.915 54.840 0.154 0.000 0.816 258 L CB 1.625 43.747 42.059 0.105 0.000 1.287 258 L HN 0.540 nan 8.230 nan 0.000 0.435 259 D N 0.715 121.165 120.400 0.084 0.000 2.345 259 D HA 0.002 4.642 4.640 -0.001 0.000 0.247 259 D C 0.265 176.587 176.300 0.035 0.000 1.108 259 D CA -0.076 53.958 54.000 0.056 0.000 0.894 259 D CB 1.496 42.326 40.800 0.050 0.000 1.203 259 D HN 0.446 nan 8.370 nan 0.000 0.430 260 D N 2.063 122.480 120.400 0.029 0.000 2.269 260 D HA -0.058 4.582 4.640 -0.001 0.000 0.208 260 D C -0.032 176.274 176.300 0.010 0.000 0.963 260 D CA 0.853 54.864 54.000 0.019 0.000 0.864 260 D CB 0.316 41.126 40.800 0.018 0.000 0.936 260 D HN 0.520 nan 8.370 nan 0.000 0.505 261 E N 0.498 120.703 120.200 0.009 0.000 2.175 261 E HA 0.225 4.574 4.350 -0.001 0.000 0.278 261 E C -0.514 176.078 176.600 -0.013 0.000 0.969 261 E CA -0.877 55.522 56.400 -0.001 0.000 0.796 261 E CB 1.656 31.360 29.700 0.006 0.000 1.104 261 E HN -0.133 nan 8.360 nan 0.000 0.395 262 L N 3.412 124.615 121.223 -0.034 0.000 2.426 262 L HA 0.261 4.601 4.340 -0.001 0.000 0.271 262 L C 0.217 177.036 176.870 -0.086 0.000 1.169 262 L CA 0.716 55.519 54.840 -0.062 0.000 0.836 262 L CB 0.036 42.045 42.059 -0.083 0.000 1.112 262 L HN 0.521 nan 8.230 nan 0.000 0.465 263 R N 2.064 122.511 120.500 -0.089 0.000 2.668 263 R HA 0.445 4.785 4.340 -0.001 0.000 0.272 263 R C -1.000 175.264 176.300 -0.060 0.000 1.019 263 R CA -0.901 55.155 56.100 -0.073 0.000 0.894 263 R CB 1.410 31.727 30.300 0.028 0.000 1.228 263 R HN 0.138 nan 8.270 nan 0.000 0.460 264 F N 0.524 120.514 119.950 0.066 0.000 2.535 264 F HA 0.056 4.583 4.527 -0.001 0.000 0.332 264 F C 0.990 176.849 175.800 0.099 0.000 1.208 264 F CA -0.147 57.905 58.000 0.086 0.000 1.330 264 F CB 0.429 39.484 39.000 0.092 0.000 1.167 264 F HN 0.053 nan 8.300 nan 0.000 0.597 265 V N 3.053 123.170 119.914 0.337 0.000 2.446 265 V HA 0.117 4.237 4.120 -0.001 0.000 0.276 265 V C 0.342 176.613 176.094 0.295 0.000 1.030 265 V CA 0.039 62.499 62.300 0.267 0.000 1.033 265 V CB 0.315 32.301 31.823 0.272 0.000 0.993 265 V HN 0.776 nan 8.190 nan 0.000 0.477 266 R N 2.254 122.877 120.500 0.204 0.000 2.539 266 R HA 0.293 4.633 4.340 -0.001 0.000 0.342 266 R C -0.074 176.104 176.300 -0.203 0.000 0.941 266 R CA -0.424 55.775 56.100 0.166 0.000 1.146 266 R CB -0.240 30.154 30.300 0.156 0.000 1.541 266 R HN 0.700 nan 8.270 nan 0.000 0.525 267 N N -1.194 117.272 118.700 -0.390 0.000 2.853 267 N HA 0.462 5.202 4.740 -0.001 0.000 0.258 267 N C 0.286 175.453 175.510 -0.572 0.000 1.444 267 N CA -0.462 52.061 53.050 -0.878 0.000 0.837 267 N CB 0.609 38.863 38.487 -0.388 0.000 1.489 267 N HN -0.082 nan 8.380 nan 0.000 0.529 268 A N -0.046 122.509 122.820 -0.441 0.000 1.933 268 A HA -0.112 4.207 4.320 -0.001 0.000 0.218 268 A C 2.051 179.662 177.584 0.046 0.000 1.175 268 A CA 1.467 53.490 52.037 -0.023 0.000 0.628 268 A CB -0.720 18.299 19.000 0.031 0.000 0.814 268 A HN 0.686 nan 8.150 nan 0.000 0.444 269 R N -0.428 120.082 120.500 0.017 0.000 2.096 269 R HA -0.146 4.193 4.340 -0.001 0.000 0.235 269 R C 1.216 177.635 176.300 0.199 0.000 1.127 269 R CA 1.669 57.837 56.100 0.112 0.000 0.968 269 R CB -0.228 30.133 30.300 0.101 0.000 0.861 269 R HN 0.466 nan 8.270 nan 0.000 0.440 270 D N 0.463 120.937 120.400 0.123 0.000 2.144 270 D HA -0.154 4.485 4.640 -0.001 0.000 0.200 270 D C 1.764 178.162 176.300 0.164 0.000 0.978 270 D CA 0.693 54.769 54.000 0.126 0.000 0.833 270 D CB -0.121 40.744 40.800 0.109 0.000 0.961 270 D HN 0.161 nan 8.370 nan 0.000 0.470 271 L N 0.889 122.240 121.223 0.213 0.000 2.093 271 L HA 0.025 4.365 4.340 -0.001 0.000 0.208 271 L C 2.066 179.068 176.870 0.220 0.000 1.085 271 L CA 1.343 56.335 54.840 0.254 0.000 0.755 271 L CB -0.694 41.583 42.059 0.363 0.000 0.904 271 L HN -0.055 nan 8.230 nan 0.000 0.435 272 A N -0.196 122.754 122.820 0.216 0.000 1.902 272 A HA -0.251 4.069 4.320 -0.001 0.000 0.217 272 A C 2.434 180.192 177.584 0.290 0.000 1.181 272 A CA 1.703 53.873 52.037 0.222 0.000 0.623 272 A CB -0.620 18.497 19.000 0.195 0.000 0.818 272 A HN 0.470 nan 8.150 nan 0.000 0.443 273 R N 0.037 120.705 120.500 0.279 0.000 2.091 273 R HA -0.111 4.228 4.340 -0.001 0.000 0.238 273 R C 1.755 178.102 176.300 0.079 0.000 1.136 273 R CA 2.104 58.223 56.100 0.031 0.000 0.959 273 R CB -1.156 28.925 30.300 -0.364 0.000 0.856 273 R HN 0.257 nan 8.270 nan 0.000 0.437 274 V N 0.371 120.352 119.914 0.112 0.000 2.252 274 V HA -0.300 3.820 4.120 -0.001 0.000 0.249 274 V C 2.375 178.566 176.094 0.161 0.000 1.056 274 V CA 2.472 64.847 62.300 0.124 0.000 1.022 274 V CB -1.149 30.762 31.823 0.146 0.000 0.641 274 V HN 0.754 nan 8.190 nan 0.000 0.445 275 T N -2.505 112.159 114.554 0.182 0.000 3.035 275 T HA -0.139 4.211 4.350 -0.001 0.000 0.268 275 T C 1.673 176.496 174.700 0.205 0.000 1.109 275 T CA 1.101 63.294 62.100 0.155 0.000 1.119 275 T CB -0.427 68.468 68.868 0.045 0.000 0.900 275 T HN 0.348 nan 8.240 nan 0.000 0.503 276 F N 3.254 123.263 119.950 0.098 0.000 2.512 276 F HA 0.195 4.721 4.527 -0.000 0.000 0.296 276 F C 1.979 177.846 175.800 0.112 0.000 1.110 276 F CA 1.082 59.158 58.000 0.127 0.000 1.446 276 F CB -0.095 39.039 39.000 0.223 0.000 1.092 276 F HN 0.376 nan 8.300 nan 0.000 0.554 277 T N -2.353 112.247 114.554 0.075 0.000 3.132 277 T HA 0.200 4.549 4.350 -0.001 0.000 0.274 277 T C 0.030 174.738 174.700 0.014 0.000 1.011 277 T CA -0.273 61.800 62.100 -0.045 0.000 0.899 277 T CB -0.617 68.233 68.868 -0.029 0.000 1.089 277 T HN 0.178 nan 8.240 nan 0.000 0.543 278 D N 1.305 121.759 120.400 0.090 0.000 2.433 278 D HA 0.284 4.924 4.640 -0.001 0.000 0.255 278 D C -0.255 176.083 176.300 0.063 0.000 1.226 278 D CA -0.827 53.232 54.000 0.098 0.000 1.015 278 D CB 0.323 41.227 40.800 0.174 0.000 1.091 278 D HN 0.031 nan 8.370 nan 0.000 0.527 279 N N 0.299 119.013 118.700 0.024 0.000 2.685 279 N HA 0.176 4.915 4.740 -0.001 0.000 0.252 279 N C 0.170 175.654 175.510 -0.044 0.000 1.261 279 N CA -0.380 52.658 53.050 -0.020 0.000 0.768 279 N CB 1.072 39.529 38.487 -0.050 0.000 1.304 279 N HN 0.395 nan 8.380 nan 0.000 0.536 280 I N 0.607 121.153 120.570 -0.041 0.000 4.773 280 I HA -0.437 3.732 4.170 -0.001 0.000 0.042 280 I C 0.938 177.101 176.117 0.077 0.000 0.630 280 I CA 1.964 63.256 61.300 -0.013 0.000 0.606 280 I CB -1.515 36.474 38.000 -0.019 0.000 0.584 280 I HN 0.593 nan 8.210 nan 0.000 0.154 281 N N 0.639 119.289 118.700 -0.084 0.000 2.299 281 N HA 0.123 4.863 4.740 -0.001 0.000 0.246 281 N C 0.803 176.216 175.510 -0.162 0.000 1.254 281 N CA 0.750 53.644 53.050 -0.260 0.000 0.879 281 N CB -0.399 37.583 38.487 -0.841 0.000 1.214 281 N HN 0.622 nan 8.380 nan 0.000 0.510 282 T N -1.568 112.933 114.554 -0.088 0.000 2.788 282 T HA -0.138 4.212 4.350 -0.001 0.000 0.268 282 T C 1.317 175.996 174.700 -0.036 0.000 1.044 282 T CA 1.401 63.457 62.100 -0.073 0.000 1.139 282 T CB -0.212 68.623 68.868 -0.055 0.000 0.867 282 T HN 0.141 nan 8.240 nan 0.000 0.454 283 E N 2.018 122.224 120.200 0.010 0.000 2.072 283 E HA 0.211 4.561 4.350 -0.001 0.000 0.191 283 E C 2.531 179.130 176.600 -0.001 0.000 0.985 283 E CA 1.109 57.522 56.400 0.020 0.000 0.801 283 E CB -0.596 29.155 29.700 0.085 0.000 0.750 283 E HN 0.658 nan 8.360 nan 0.000 0.452 284 A N -0.116 122.704 122.820 0.000 0.000 2.014 284 A HA -0.147 4.173 4.320 -0.001 0.000 0.218 284 A C 1.931 179.444 177.584 -0.118 0.000 1.163 284 A CA 0.921 52.927 52.037 -0.053 0.000 0.652 284 A CB -0.580 18.381 19.000 -0.066 0.000 0.808 284 A HN 0.346 nan 8.150 nan 0.000 0.449 285 Y N 0.442 120.601 120.300 -0.235 0.000 2.184 285 Y HA -0.154 4.395 4.550 -0.001 0.000 0.290 285 Y C 2.530 178.333 175.900 -0.162 0.000 1.129 285 Y CA 1.894 59.885 58.100 -0.182 0.000 1.144 285 Y CB -0.205 38.156 38.460 -0.165 0.000 0.995 285 Y HN 0.256 nan 8.280 nan 0.000 0.513 286 R N -0.580 119.841 120.500 -0.132 0.000 2.096 286 R HA -0.184 4.155 4.340 -0.001 0.000 0.240 286 R C 2.566 178.775 176.300 -0.152 0.000 1.139 286 R CA 1.486 57.352 56.100 -0.389 0.000 0.952 286 R CB -1.101 28.848 30.300 -0.584 0.000 0.854 286 R HN 0.498 nan 8.270 nan 0.000 0.436 287 G N 0.494 109.247 108.800 -0.079 0.000 2.418 287 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.217 287 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.217 287 G C 1.562 176.447 174.900 -0.025 0.000 1.158 287 G CA 0.780 45.877 45.100 -0.004 0.000 0.771 287 G HN 0.430 nan 8.290 nan 0.000 0.545 288 A N 0.594 123.329 122.820 -0.142 0.000 1.908 288 A HA 0.028 4.347 4.320 -0.001 0.000 0.218 288 A C 2.443 180.045 177.584 0.030 0.000 1.181 288 A CA 1.434 53.351 52.037 -0.200 0.000 0.627 288 A CB -0.414 18.230 19.000 -0.593 0.000 0.818 288 A HN 0.370 nan 8.150 nan 0.000 0.445 289 L N -0.728 120.512 121.223 0.029 0.000 2.093 289 L HA -0.134 4.205 4.340 -0.001 0.000 0.208 289 L C 2.465 179.430 176.870 0.158 0.000 1.085 289 L CA 1.023 55.952 54.840 0.148 0.000 0.755 289 L CB -0.471 41.674 42.059 0.144 0.000 0.904 289 L HN 0.374 nan 8.230 nan 0.000 0.435 290 I N -0.204 120.459 120.570 0.155 0.000 2.179 290 I HA -0.325 3.845 4.170 -0.001 0.000 0.242 290 I C 2.403 178.593 176.117 0.123 0.000 1.088 290 I CA 1.475 62.885 61.300 0.183 0.000 1.357 290 I CB -0.273 37.875 38.000 0.248 0.000 1.051 290 I HN 0.211 nan 8.210 nan 0.000 0.409 291 L N -0.249 121.026 121.223 0.087 0.000 2.083 291 L HA -0.227 4.113 4.340 -0.001 0.000 0.209 291 L C 2.519 179.361 176.870 -0.047 0.000 1.083 291 L CA 0.875 55.697 54.840 -0.031 0.000 0.752 291 L CB -0.532 41.509 42.059 -0.030 0.000 0.899 291 L HN 0.264 nan 8.230 nan 0.000 0.433 292 L N 0.228 121.481 121.223 0.050 0.000 2.027 292 L HA -0.063 4.276 4.340 -0.001 0.000 0.206 292 L C 2.405 179.282 176.870 0.013 0.000 1.074 292 L CA 2.117 56.977 54.840 0.032 0.000 0.745 292 L CB -1.180 40.951 42.059 0.120 0.000 0.898 292 L HN 0.151 nan 8.230 nan 0.000 0.433 293 G N -0.807 108.021 108.800 0.047 0.000 2.448 293 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.219 293 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.219 293 G C 1.479 176.382 174.900 0.005 0.000 1.127 293 G CA 0.896 46.019 45.100 0.039 0.000 0.766 293 G HN 0.431 nan 8.290 nan 0.000 0.552 294 L N -0.379 120.830 121.223 -0.024 0.000 2.591 294 L HA 0.174 4.513 4.340 -0.001 0.000 0.228 294 L C 1.023 177.848 176.870 -0.075 0.000 1.133 294 L CA 0.340 55.154 54.840 -0.043 0.000 0.880 294 L CB 0.047 42.077 42.059 -0.049 0.000 1.033 294 L HN 0.171 nan 8.230 nan 0.000 0.450 295 D N -0.713 119.627 120.400 -0.100 0.000 2.907 295 D HA -0.218 4.421 4.640 -0.001 0.000 0.226 295 D C 1.178 177.377 176.300 -0.167 0.000 1.141 295 D CA 0.744 54.675 54.000 -0.115 0.000 0.779 295 D CB -0.496 40.260 40.800 -0.072 0.000 1.095 295 D HN 0.364 nan 8.370 nan 0.000 0.430 296 A N -0.652 121.990 122.820 -0.298 0.000 1.970 296 A HA 0.192 4.512 4.320 -0.001 0.000 0.216 296 A C 0.862 178.363 177.584 -0.139 0.000 1.170 296 A CA 0.722 52.514 52.037 -0.407 0.000 0.645 296 A CB 0.037 18.431 19.000 -1.010 0.000 0.816 296 A HN 0.322 nan 8.150 nan 0.000 0.447 297 F N 0.751 120.532 119.950 -0.281 0.000 2.482 297 F HA 0.406 4.933 4.527 -0.001 0.000 0.331 297 F C -0.183 175.458 175.800 -0.265 0.000 1.115 297 F CA -1.705 56.112 58.000 -0.305 0.000 0.955 297 F CB 1.063 39.708 39.000 -0.591 0.000 1.136 297 F HN 0.125 nan 8.300 nan 0.000 0.452 298 N N 5.806 124.034 118.700 -0.787 0.000 2.414 298 N HA 0.120 4.860 4.740 -0.001 0.000 0.256 298 N C 1.120 176.363 175.510 -0.446 0.000 1.029 298 N CA -0.110 52.654 53.050 -0.477 0.000 0.948 298 N CB 0.906 39.174 38.487 -0.366 0.000 1.102 298 N HN 0.914 nan 8.380 nan 0.000 0.496 299 R N 3.484 123.861 120.500 -0.205 0.000 2.127 299 R HA -0.112 4.228 4.340 -0.001 0.000 0.238 299 R C 1.559 177.820 176.300 -0.065 0.000 1.134 299 R CA 1.747 57.802 56.100 -0.075 0.000 0.975 299 R CB -0.085 30.213 30.300 -0.002 0.000 0.865 299 R HN 0.661 nan 8.270 nan 0.000 0.447 300 A N -0.517 122.242 122.820 -0.101 0.000 2.209 300 A HA 0.138 4.457 4.320 -0.001 0.000 0.212 300 A C 1.394 178.911 177.584 -0.112 0.000 1.158 300 A CA 0.975 52.960 52.037 -0.087 0.000 0.742 300 A CB -0.278 18.670 19.000 -0.087 0.000 0.790 300 A HN 0.611 nan 8.150 nan 0.000 0.472 301 G N -2.239 106.461 108.800 -0.167 0.000 2.144 301 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.218 301 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.218 301 G C 0.151 174.932 174.900 -0.197 0.000 0.988 301 G CA 0.020 45.011 45.100 -0.182 0.000 0.659 301 G HN 0.767 nan 8.290 nan 0.000 0.522 302 V N 2.596 122.401 119.914 -0.181 0.000 2.153 302 V HA 0.375 4.495 4.120 -0.001 0.000 0.250 302 V C 0.147 176.176 176.094 -0.108 0.000 1.334 302 V CA -0.344 61.904 62.300 -0.085 0.000 1.249 302 V CB -0.197 31.582 31.823 -0.073 0.000 1.371 302 V HN 0.443 nan 8.190 nan 0.000 0.498 303 N N 1.961 120.648 118.700 -0.021 0.000 2.647 303 N HA 0.605 5.345 4.740 -0.001 0.000 0.266 303 N C 0.542 176.109 175.510 0.095 0.000 1.373 303 N CA 0.142 53.176 53.050 -0.027 0.000 0.807 303 N CB 2.210 40.600 38.487 -0.163 0.000 1.513 303 N HN 0.518 nan 8.380 nan 0.000 0.505 304 G N 1.581 110.380 108.800 -0.002 0.000 2.634 304 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.309 304 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.309 304 G C -1.557 173.089 174.900 -0.424 0.000 1.265 304 G CA 0.494 45.393 45.100 -0.334 0.000 0.998 304 G HN 0.549 nan 8.290 nan 0.000 0.551 305 P HA 0.090 nan 4.420 nan 0.000 0.230 305 P C 1.452 178.373 177.300 -0.632 0.000 1.158 305 P CA 1.345 64.034 63.100 -0.684 0.000 0.769 305 P CB -0.158 31.037 31.700 -0.843 0.000 0.807 306 F N -0.553 119.296 119.950 -0.167 0.000 2.615 306 F HA 0.099 4.626 4.527 -0.001 0.000 0.297 306 F C 2.387 178.134 175.800 -0.089 0.000 1.124 306 F CA 0.363 58.305 58.000 -0.097 0.000 1.451 306 F CB -1.004 37.957 39.000 -0.065 0.000 1.103 306 F HN -0.217 nan 8.300 nan 0.000 0.569 307 I N 0.147 120.728 120.570 0.019 0.000 2.264 307 I HA -0.281 3.888 4.170 -0.001 0.000 0.248 307 I C 1.358 177.461 176.117 -0.024 0.000 1.111 307 I CA 1.437 62.730 61.300 -0.011 0.000 1.382 307 I CB -0.274 37.704 38.000 -0.037 0.000 1.060 307 I HN 0.018 nan 8.210 nan 0.000 0.418 308 D N 0.732 121.101 120.400 -0.053 0.000 2.339 308 D HA 0.207 4.847 4.640 -0.001 0.000 0.217 308 D C 0.497 176.775 176.300 -0.037 0.000 1.050 308 D CA 0.419 54.390 54.000 -0.048 0.000 0.856 308 D CB 0.225 40.981 40.800 -0.072 0.000 0.922 308 D HN 0.397 nan 8.370 nan 0.000 0.518 309 I N -3.456 117.104 120.570 -0.018 0.000 3.206 309 I HA 0.421 4.591 4.170 -0.001 0.000 0.313 309 I C 0.047 176.184 176.117 0.033 0.000 1.103 309 I CA -0.847 60.454 61.300 0.002 0.000 0.985 309 I CB 2.167 40.161 38.000 -0.009 0.000 1.240 309 I HN -0.442 nan 8.210 nan 0.000 0.464 310 D N 0.343 120.762 120.400 0.032 0.000 2.455 310 D HA 0.057 4.697 4.640 -0.001 0.000 0.228 310 D C 1.766 178.086 176.300 0.035 0.000 1.070 310 D CA 0.558 54.575 54.000 0.028 0.000 0.881 310 D CB 0.538 41.345 40.800 0.012 0.000 1.087 310 D HN 0.476 nan 8.370 nan 0.000 0.498 311 R N 0.631 121.158 120.500 0.045 0.000 2.119 311 R HA 0.079 4.418 4.340 -0.001 0.000 0.222 311 R C 0.414 176.741 176.300 0.046 0.000 1.088 311 R CA 0.996 57.119 56.100 0.038 0.000 0.984 311 R CB 0.224 30.546 30.300 0.036 0.000 0.884 311 R HN 0.144 nan 8.270 nan 0.000 0.447 312 Q N -1.225 118.636 119.800 0.102 0.000 2.351 312 Q HA 0.683 5.022 4.340 -0.001 0.000 0.273 312 Q C -1.406 174.576 176.000 -0.029 0.000 1.077 312 Q CA -0.959 54.891 55.803 0.078 0.000 0.843 312 Q CB 2.323 31.208 28.738 0.245 0.000 1.367 312 Q HN 0.203 nan 8.270 nan 0.000 0.449 313 A N 0.385 123.001 122.820 -0.340 0.000 2.384 313 A HA 0.878 5.198 4.320 -0.001 0.000 0.312 313 A C -0.252 176.662 177.584 -1.118 0.000 1.113 313 A CA -0.302 51.392 52.037 -0.573 0.000 0.779 313 A CB 1.333 20.166 19.000 -0.279 0.000 1.307 313 A HN 0.710 nan 8.150 nan 0.000 0.436 314 G N -1.322 106.816 108.800 -1.104 0.000 2.528 314 G HA2 0.533 4.493 3.960 -0.001 0.000 0.289 314 G HA3 0.533 4.493 3.960 -0.001 0.000 0.289 314 G C -0.321 174.531 174.900 -0.080 0.000 1.192 314 G CA 0.184 44.879 45.100 -0.675 0.000 0.921 314 G HN 1.076 nan 8.290 nan 0.000 0.512 315 F N -0.860 119.021 119.950 -0.114 0.000 1.819 315 F HA 0.108 4.635 4.527 -0.001 0.000 0.232 315 F C 1.957 177.763 175.800 0.010 0.000 1.257 315 F CA 0.507 58.487 58.000 -0.034 0.000 1.283 315 F CB -0.251 38.712 39.000 -0.061 0.000 1.979 315 F HN 0.213 nan 8.300 nan 0.000 0.161 316 V N 1.691 121.560 119.914 -0.074 0.000 2.343 316 V HA -0.108 4.012 4.120 -0.001 0.000 0.247 316 V C -0.098 175.788 176.094 -0.348 0.000 1.051 316 V CA 1.568 63.722 62.300 -0.242 0.000 1.036 316 V CB -0.813 30.952 31.823 -0.096 0.000 0.654 316 V HN 0.327 nan 8.190 nan 0.000 0.451 317 N N -0.095 118.423 118.700 -0.303 0.000 2.417 317 N HA 0.438 5.178 4.740 -0.001 0.000 0.274 317 N C -0.459 175.098 175.510 0.078 0.000 0.987 317 N CA -0.630 52.108 53.050 -0.521 0.000 0.912 317 N CB 1.163 39.178 38.487 -0.785 0.000 1.177 317 N HN 0.212 nan 8.380 nan 0.000 0.490 318 F N -1.061 119.193 119.950 0.507 0.000 3.043 318 F HA -0.167 4.360 4.527 -0.001 0.000 0.290 318 F C 0.950 176.932 175.800 0.304 0.000 0.844 318 F CA 0.788 59.037 58.000 0.414 0.000 1.184 318 F CB -1.709 37.535 39.000 0.406 0.000 1.246 318 F HN 0.579 nan 8.300 nan 0.000 0.536 319 G N -0.328 108.717 108.800 0.407 0.000 2.827 319 G HA2 0.603 4.562 3.960 -0.001 0.000 0.296 319 G HA3 0.603 4.562 3.960 -0.001 0.000 0.296 319 G C 0.689 175.800 174.900 0.351 0.000 1.362 319 G CA -0.387 44.889 45.100 0.293 0.000 0.809 319 G HN 0.466 nan 8.290 nan 0.000 0.522 320 I N -1.403 119.343 120.570 0.292 0.000 2.423 320 I HA -0.064 4.105 4.170 -0.001 0.000 0.254 320 I C 2.394 178.609 176.117 0.164 0.000 1.151 320 I CA 2.072 63.555 61.300 0.304 0.000 1.421 320 I CB -0.221 38.020 38.000 0.402 0.000 1.079 320 I HN 0.377 nan 8.210 nan 0.000 0.431 321 S N 0.779 116.294 115.700 -0.309 0.000 2.348 321 S HA -0.320 4.150 4.470 -0.001 0.000 0.221 321 S C 2.174 176.726 174.600 -0.081 0.000 1.033 321 S CA 1.719 59.701 58.200 -0.363 0.000 1.010 321 S CB -0.780 61.840 63.200 -0.967 0.000 0.891 321 S HN 0.756 nan 8.310 nan 0.000 0.442 322 H N -1.521 117.436 119.070 -0.187 0.000 2.289 322 H HA -0.198 4.358 4.556 -0.000 0.000 0.296 322 H C 2.105 177.380 175.328 -0.088 0.000 1.091 322 H CA 2.100 58.079 56.048 -0.115 0.000 1.274 322 H CB -0.370 29.324 29.762 -0.114 0.000 1.364 322 H HN 0.602 nan 8.280 nan 0.000 0.490 323 Y N 0.265 120.446 120.300 -0.200 0.000 2.070 323 Y HA -0.289 4.261 4.550 -0.001 0.000 0.280 323 Y C 2.051 177.654 175.900 -0.495 0.000 1.148 323 Y CA 2.128 59.893 58.100 -0.559 0.000 1.125 323 Y CB -0.707 37.197 38.460 -0.928 0.000 0.975 323 Y HN 0.160 nan 8.280 nan 0.000 0.492 324 F N -0.012 119.923 119.950 -0.025 0.000 2.293 324 F HA -0.097 4.430 4.527 -0.001 0.000 0.300 324 F C 2.664 178.420 175.800 -0.073 0.000 1.086 324 F CA 1.590 59.533 58.000 -0.094 0.000 1.375 324 F CB -0.564 38.430 39.000 -0.011 0.000 1.045 324 F HN -0.027 nan 8.300 nan 0.000 0.516 325 R N 0.844 121.398 120.500 0.089 0.000 2.080 325 R HA -0.160 4.180 4.340 -0.001 0.000 0.236 325 R C 2.065 178.370 176.300 0.008 0.000 1.137 325 R CA 1.563 57.691 56.100 0.047 0.000 0.943 325 R CB -0.542 29.775 30.300 0.028 0.000 0.846 325 R HN 0.306 nan 8.270 nan 0.000 0.431 326 L N 0.423 121.631 121.223 -0.024 0.000 2.217 326 L HA -0.093 4.246 4.340 -0.001 0.000 0.211 326 L C 2.325 179.142 176.870 -0.089 0.000 1.107 326 L CA 0.684 55.495 54.840 -0.048 0.000 0.783 326 L CB -0.201 41.820 42.059 -0.064 0.000 0.919 326 L HN 0.288 nan 8.230 nan 0.000 0.442 327 I N -0.206 120.244 120.570 -0.201 0.000 2.454 327 I HA -0.203 3.967 4.170 -0.001 0.000 0.254 327 I C 2.351 178.321 176.117 -0.245 0.000 1.156 327 I CA 1.440 62.568 61.300 -0.286 0.000 1.433 327 I CB -0.393 37.349 38.000 -0.429 0.000 1.082 327 I HN 0.256 nan 8.210 nan 0.000 0.432 328 G N -0.391 108.356 108.800 -0.089 0.000 2.556 328 G HA2 0.020 3.980 3.960 -0.001 0.000 0.209 328 G HA3 0.020 3.980 3.960 -0.001 0.000 0.209 328 G C 1.816 176.736 174.900 0.034 0.000 1.159 328 G CA 0.541 45.610 45.100 -0.052 0.000 0.828 328 G HN 0.400 nan 8.290 nan 0.000 0.553 329 A N 1.341 124.178 122.820 0.029 0.000 1.978 329 A HA 0.262 4.582 4.320 -0.001 0.000 0.220 329 A C 2.617 180.234 177.584 0.055 0.000 1.170 329 A CA 2.080 54.138 52.037 0.035 0.000 0.636 329 A CB -0.619 18.395 19.000 0.023 0.000 0.810 329 A HN 0.807 nan 8.150 nan 0.000 0.448 330 A N -0.331 122.544 122.820 0.092 0.000 2.216 330 A HA 0.005 4.325 4.320 -0.001 0.000 0.214 330 A C 1.700 179.338 177.584 0.090 0.000 1.160 330 A CA 1.647 53.733 52.037 0.081 0.000 0.725 330 A CB -0.412 18.642 19.000 0.090 0.000 0.784 330 A HN 0.556 nan 8.150 nan 0.000 0.472 331 E N -0.289 120.025 120.200 0.190 0.000 2.409 331 E HA -0.129 4.221 4.350 -0.001 0.000 0.198 331 E C 1.465 178.072 176.600 0.012 0.000 1.024 331 E CA 0.548 57.022 56.400 0.123 0.000 0.861 331 E CB -0.461 29.343 29.700 0.172 0.000 0.788 331 E HN 0.417 nan 8.360 nan 0.000 0.521 332 L N 0.215 121.445 121.223 0.012 0.000 2.187 332 L HA -0.049 4.291 4.340 -0.001 0.000 0.213 332 L C 2.090 178.958 176.870 -0.003 0.000 1.100 332 L CA 1.784 56.622 54.840 -0.003 0.000 0.765 332 L CB -0.928 41.133 42.059 0.004 0.000 0.904 332 L HN 0.231 nan 8.230 nan 0.000 0.437 333 A N -1.250 121.561 122.820 -0.015 0.000 2.084 333 A HA -0.308 4.012 4.320 -0.001 0.000 0.221 333 A C 2.209 179.806 177.584 0.021 0.000 1.161 333 A CA 1.698 53.730 52.037 -0.007 0.000 0.653 333 A CB -0.594 18.376 19.000 -0.050 0.000 0.802 333 A HN 0.564 nan 8.150 nan 0.000 0.457 334 Q N -0.291 119.512 119.800 0.005 0.000 2.291 334 Q HA -0.141 4.199 4.340 -0.001 0.000 0.206 334 Q C 2.018 178.071 176.000 0.090 0.000 0.976 334 Q CA 1.774 57.600 55.803 0.038 0.000 0.875 334 Q CB -0.278 28.411 28.738 -0.081 0.000 0.927 334 Q HN 0.702 nan 8.270 nan 0.000 0.450 335 R N -1.205 119.326 120.500 0.051 0.000 2.090 335 R HA -0.002 4.337 4.340 -0.001 0.000 0.228 335 R C 2.009 178.421 176.300 0.187 0.000 1.110 335 R CA 1.676 57.823 56.100 0.078 0.000 0.973 335 R CB -0.208 30.113 30.300 0.036 0.000 0.869 335 R HN 0.149 nan 8.270 nan 0.000 0.440 336 S N -0.262 115.544 115.700 0.177 0.000 2.368 336 S HA -0.145 4.325 4.470 -0.001 0.000 0.224 336 S C 1.869 176.615 174.600 0.243 0.000 1.029 336 S CA 1.265 59.594 58.200 0.215 0.000 0.988 336 S CB -0.305 62.981 63.200 0.142 0.000 0.838 336 S HN 0.510 nan 8.310 nan 0.000 0.462 337 S N 0.622 116.447 115.700 0.208 0.000 2.374 337 S HA -0.170 4.300 4.470 -0.001 0.000 0.227 337 S C 1.606 176.348 174.600 0.237 0.000 1.037 337 S CA 1.146 59.460 58.200 0.190 0.000 1.024 337 S CB -0.549 62.779 63.200 0.212 0.000 0.861 337 S HN 0.732 nan 8.310 nan 0.000 0.456 338 W N 0.121 121.460 121.300 0.065 0.000 2.363 338 W HA -0.159 4.501 4.660 -0.000 0.000 0.296 338 W C 2.242 178.881 176.519 0.200 0.000 1.212 338 W CA 1.206 58.628 57.345 0.129 0.000 1.260 338 W CB -0.547 28.968 29.460 0.093 0.000 1.131 338 W HN 0.488 nan 8.180 nan 0.000 0.530 339 Y N 1.554 121.948 120.300 0.157 0.000 2.145 339 Y HA -0.295 4.255 4.550 -0.000 0.000 0.286 339 Y C 2.652 178.597 175.900 0.075 0.000 1.145 339 Y CA 1.970 60.100 58.100 0.051 0.000 1.148 339 Y CB -0.793 37.733 38.460 0.111 0.000 0.981 339 Y HN -0.127 nan 8.280 nan 0.000 0.507 340 Q N 0.657 120.558 119.800 0.168 0.000 2.124 340 Q HA -0.186 4.153 4.340 -0.001 0.000 0.202 340 Q C 2.141 178.168 176.000 0.046 0.000 0.977 340 Q CA 1.734 57.592 55.803 0.091 0.000 0.850 340 Q CB -0.329 28.466 28.738 0.096 0.000 0.901 340 Q HN 0.543 nan 8.270 nan 0.000 0.429 341 K N -0.741 119.600 120.400 -0.099 0.000 1.985 341 K HA -0.163 4.156 4.320 -0.001 0.000 0.210 341 K C 2.045 178.477 176.600 -0.281 0.000 1.047 341 K CA 1.623 57.737 56.287 -0.289 0.000 0.932 341 K CB -0.163 31.891 32.500 -0.744 0.000 0.716 341 K HN 0.214 nan 8.250 nan 0.000 0.439 342 W N 0.598 121.770 121.300 -0.214 0.000 2.601 342 W HA -0.001 4.659 4.660 -0.000 0.000 0.292 342 W C 2.382 178.826 176.519 -0.125 0.000 1.153 342 W CA -0.026 57.221 57.345 -0.163 0.000 1.448 342 W CB -0.134 29.224 29.460 -0.171 0.000 1.113 342 W HN -0.017 nan 8.180 nan 0.000 0.548 343 Q N 0.081 119.903 119.800 0.037 0.000 2.245 343 Q HA -0.053 4.287 4.340 -0.001 0.000 0.201 343 Q C 1.922 177.780 176.000 -0.236 0.000 0.955 343 Q CA 1.266 56.990 55.803 -0.131 0.000 0.870 343 Q CB -0.343 28.183 28.738 -0.354 0.000 0.945 343 Q HN 0.169 nan 8.270 nan 0.000 0.461 344 V N -1.164 118.577 119.914 -0.288 0.000 2.602 344 V HA -0.034 4.086 4.120 -0.001 0.000 0.235 344 V C 1.621 177.511 176.094 -0.340 0.000 1.087 344 V CA 1.007 63.085 62.300 -0.371 0.000 1.117 344 V CB -0.229 31.297 31.823 -0.494 0.000 0.820 344 V HN 0.350 nan 8.190 nan 0.000 0.490 345 H N -0.185 118.920 119.070 0.057 0.000 2.516 345 H HA 0.286 4.842 4.556 -0.000 0.000 0.284 345 H C 0.775 176.212 175.328 0.182 0.000 0.999 345 H CA 0.158 56.293 56.048 0.145 0.000 1.303 345 H CB 0.270 30.199 29.762 0.277 0.000 1.452 345 H HN 0.200 nan 8.280 nan 0.000 0.530 346 R N 0.274 120.915 120.500 0.236 0.000 3.322 346 R HA -0.188 4.152 4.340 -0.001 0.000 0.253 346 R C -0.857 175.616 176.300 0.288 0.000 0.987 346 R CA 0.041 56.259 56.100 0.197 0.000 0.666 346 R CB -1.840 28.608 30.300 0.246 0.000 1.072 346 R HN 0.093 nan 8.270 nan 0.000 0.447 347 F N 0.398 120.444 119.950 0.161 0.000 2.384 347 F HA 0.455 4.982 4.527 -0.001 0.000 0.338 347 F C 0.926 176.854 175.800 0.214 0.000 1.103 347 F CA 0.016 58.115 58.000 0.165 0.000 1.157 347 F CB 0.744 39.813 39.000 0.115 0.000 1.167 347 F HN 0.222 nan 8.300 nan 0.000 0.529 348 A N 6.306 128.852 122.820 -0.457 0.000 2.445 348 A HA 0.325 4.644 4.320 -0.001 0.000 0.242 348 A C 0.315 177.960 177.584 0.103 0.000 1.075 348 A CA -0.542 51.358 52.037 -0.228 0.000 0.777 348 A CB 0.210 18.980 19.000 -0.383 0.000 1.013 348 A HN 0.771 nan 8.150 nan 0.000 0.493 349 R N 1.774 122.343 120.500 0.115 0.000 2.637 349 R HA 0.190 4.530 4.340 -0.001 0.000 0.269 349 R C -1.814 174.508 176.300 0.035 0.000 1.089 349 R CA -1.697 54.454 56.100 0.084 0.000 1.177 349 R CB -0.183 30.094 30.300 -0.039 0.000 1.091 349 R HN 0.440 nan 8.270 nan 0.000 0.540 350 P HA -0.192 nan 4.420 nan 0.000 0.216 350 P C 0.989 178.221 177.300 -0.112 0.000 1.150 350 P CA 1.415 64.331 63.100 -0.306 0.000 0.837 350 P CB 0.069 31.364 31.700 -0.676 0.000 0.786 351 E N -0.091 120.051 120.200 -0.097 0.000 2.204 351 E HA -0.157 4.192 4.350 -0.001 0.000 0.195 351 E C 1.810 178.555 176.600 0.241 0.000 0.990 351 E CA 1.346 57.770 56.400 0.040 0.000 0.821 351 E CB -0.843 28.888 29.700 0.052 0.000 0.750 351 E HN 0.128 nan 8.360 nan 0.000 0.477 352 A N 1.934 124.846 122.820 0.153 0.000 1.898 352 A HA 0.029 4.349 4.320 -0.001 0.000 0.214 352 A C 2.334 180.061 177.584 0.238 0.000 1.183 352 A CA 0.695 52.853 52.037 0.201 0.000 0.622 352 A CB -0.520 18.477 19.000 -0.006 0.000 0.824 352 A HN 0.241 nan 8.150 nan 0.000 0.444 353 L N -0.500 120.852 121.223 0.214 0.000 2.201 353 L HA -0.111 4.228 4.340 -0.001 0.000 0.212 353 L C 2.722 179.752 176.870 0.267 0.000 1.105 353 L CA 0.983 56.015 54.840 0.320 0.000 0.775 353 L CB -0.819 41.493 42.059 0.423 0.000 0.913 353 L HN 0.517 nan 8.230 nan 0.000 0.440 354 G N -0.060 108.835 108.800 0.159 0.000 2.422 354 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.218 354 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.218 354 G C 1.570 176.457 174.900 -0.021 0.000 1.146 354 G CA 0.737 45.891 45.100 0.091 0.000 0.769 354 G HN 0.475 nan 8.290 nan 0.000 0.547 355 G N 0.170 108.907 108.800 -0.106 0.000 2.408 355 G HA2 -0.095 3.865 3.960 -0.001 0.000 0.217 355 G HA3 -0.095 3.865 3.960 -0.001 0.000 0.217 355 G C 1.837 176.746 174.900 0.015 0.000 1.150 355 G CA 1.664 46.490 45.100 -0.457 0.000 0.776 355 G HN 0.374 nan 8.290 nan 0.000 0.542 356 T N 1.218 115.891 114.554 0.198 0.000 2.746 356 T HA -0.026 4.324 4.350 -0.001 0.000 0.267 356 T C 2.261 177.144 174.700 0.305 0.000 1.039 356 T CA 0.680 62.944 62.100 0.274 0.000 1.142 356 T CB -0.180 68.891 68.868 0.338 0.000 0.866 356 T HN 0.103 nan 8.240 nan 0.000 0.444 357 L N 0.269 121.631 121.223 0.231 0.000 1.994 357 L HA -0.193 4.146 4.340 -0.001 0.000 0.208 357 L C 2.646 179.504 176.870 -0.021 0.000 1.071 357 L CA 2.188 57.004 54.840 -0.039 0.000 0.745 357 L CB -0.469 41.412 42.059 -0.297 0.000 0.892 357 L HN 0.411 nan 8.230 nan 0.000 0.431 358 H N -0.096 118.944 119.070 -0.050 0.000 2.319 358 H HA -0.230 4.325 4.556 -0.001 0.000 0.297 358 H C 2.126 177.446 175.328 -0.013 0.000 1.097 358 H CA 2.208 58.257 56.048 0.002 0.000 1.285 358 H CB -0.234 29.513 29.762 -0.026 0.000 1.368 358 H HN 0.280 nan 8.280 nan 0.000 0.495 359 L N -0.510 120.673 121.223 -0.068 0.000 2.141 359 L HA -0.119 4.220 4.340 -0.001 0.000 0.209 359 L C 2.473 179.276 176.870 -0.112 0.000 1.094 359 L CA 1.443 56.207 54.840 -0.127 0.000 0.763 359 L CB -0.369 41.719 42.059 0.048 0.000 0.908 359 L HN 0.389 nan 8.230 nan 0.000 0.437 360 T N 0.045 114.573 114.554 -0.043 0.000 2.812 360 T HA -0.088 4.261 4.350 -0.001 0.000 0.264 360 T C 1.919 176.546 174.700 -0.122 0.000 1.042 360 T CA 1.159 63.243 62.100 -0.028 0.000 1.140 360 T CB -0.114 68.812 68.868 0.096 0.000 0.870 360 T HN 0.172 nan 8.240 nan 0.000 0.445 361 I N 0.800 121.234 120.570 -0.226 0.000 2.286 361 I HA -0.136 4.033 4.170 -0.001 0.000 0.248 361 I C 2.220 178.161 176.117 -0.293 0.000 1.115 361 I CA 1.269 62.356 61.300 -0.354 0.000 1.392 361 I CB -0.225 37.343 38.000 -0.721 0.000 1.065 361 I HN 0.138 nan 8.210 nan 0.000 0.418 362 K N 0.753 120.983 120.400 -0.282 0.000 2.525 362 K HA 0.100 4.420 4.320 -0.001 0.000 0.192 362 K C 1.290 177.800 176.600 -0.149 0.000 1.029 362 K CA 0.723 56.883 56.287 -0.213 0.000 1.029 362 K CB 0.114 32.442 32.500 -0.286 0.000 0.814 362 K HN 0.491 nan 8.250 nan 0.000 0.503 363 G N 2.080 110.803 108.800 -0.129 0.000 2.148 363 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.254 363 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.254 363 G C 0.519 175.375 174.900 -0.074 0.000 0.981 363 G CA 0.594 45.642 45.100 -0.088 0.000 0.670 363 G HN 0.503 nan 8.290 nan 0.000 0.528 364 E N -0.827 119.320 120.200 -0.087 0.000 2.385 364 E HA 0.374 4.723 4.350 -0.001 0.000 0.194 364 E C 1.191 177.774 176.600 -0.028 0.000 1.013 364 E CA 0.337 56.699 56.400 -0.063 0.000 0.866 364 E CB 0.529 30.178 29.700 -0.085 0.000 0.832 364 E HN 0.561 nan 8.360 nan 0.000 0.500 365 L N -0.239 120.971 121.223 -0.022 0.000 2.277 365 L HA 0.395 4.735 4.340 -0.001 0.000 0.254 365 L C -0.089 176.779 176.870 -0.004 0.000 1.044 365 L CA -0.735 54.107 54.840 0.004 0.000 0.842 365 L CB 1.954 44.038 42.059 0.040 0.000 1.422 365 L HN -0.119 nan 8.230 nan 0.000 0.422 366 N N 0.626 119.325 118.700 -0.002 0.000 2.622 366 N HA 0.266 5.006 4.740 -0.001 0.000 0.304 366 N C -0.771 174.726 175.510 -0.021 0.000 1.844 366 N CA -0.124 52.920 53.050 -0.010 0.000 0.886 366 N CB 1.195 39.671 38.487 -0.019 0.000 1.366 366 N HN 0.676 nan 8.380 nan 0.000 0.491 367 A N 0.484 123.294 122.820 -0.016 0.000 2.462 367 A HA 0.055 4.374 4.320 -0.001 0.000 0.243 367 A C 0.633 178.137 177.584 -0.134 0.000 1.076 367 A CA 0.046 52.004 52.037 -0.132 0.000 0.773 367 A CB 0.301 19.150 19.000 -0.251 0.000 1.010 367 A HN 0.327 nan 8.150 nan 0.000 0.493 368 D N 1.829 122.112 120.400 -0.196 0.000 2.977 368 D HA 0.176 4.815 4.640 -0.001 0.000 0.241 368 D C -0.539 175.695 176.300 -0.111 0.000 1.206 368 D CA -0.027 53.903 54.000 -0.116 0.000 0.902 368 D CB -1.030 39.714 40.800 -0.094 0.000 1.131 368 D HN 0.316 nan 8.370 nan 0.000 0.447 369 F N 1.041 120.993 119.950 0.003 0.000 2.563 369 F HA 0.027 4.554 4.527 -0.000 0.000 0.363 369 F C 1.584 177.387 175.800 0.006 0.000 1.123 369 F CA -0.152 57.856 58.000 0.013 0.000 1.307 369 F CB 0.258 39.262 39.000 0.007 0.000 1.115 369 F HN 0.048 nan 8.300 nan 0.000 0.592 370 D N 2.276 122.807 120.400 0.218 0.000 2.449 370 D HA -0.085 4.555 4.640 -0.001 0.000 0.236 370 D C 1.040 177.401 176.300 0.102 0.000 1.149 370 D CA -0.398 53.676 54.000 0.123 0.000 0.878 370 D CB 0.843 41.710 40.800 0.111 0.000 1.198 370 D HN 0.336 nan 8.370 nan 0.000 0.446 371 L N 3.276 124.534 121.223 0.059 0.000 2.265 371 L HA -0.183 4.157 4.340 -0.001 0.000 0.215 371 L C 2.730 179.613 176.870 0.021 0.000 1.117 371 L CA 1.252 56.110 54.840 0.031 0.000 0.782 371 L CB -1.385 40.684 42.059 0.017 0.000 0.914 371 L HN 0.540 nan 8.230 nan 0.000 0.441 372 S N -1.193 114.529 115.700 0.037 0.000 2.419 372 S HA -0.210 4.260 4.470 -0.001 0.000 0.235 372 S C 1.868 176.479 174.600 0.019 0.000 1.019 372 S CA 1.449 59.671 58.200 0.036 0.000 0.982 372 S CB -0.532 62.704 63.200 0.059 0.000 0.789 372 S HN 0.371 nan 8.310 nan 0.000 0.490 373 L N -0.088 121.140 121.223 0.007 0.000 2.262 373 L HA 0.460 4.799 4.340 -0.001 0.000 0.197 373 L C 2.069 178.861 176.870 -0.130 0.000 1.073 373 L CA 0.872 55.674 54.840 -0.064 0.000 0.800 373 L CB -0.805 41.212 42.059 -0.071 0.000 0.987 373 L HN 0.294 nan 8.230 nan 0.000 0.470 374 L N 0.189 121.359 121.223 -0.088 0.000 2.131 374 L HA -0.104 4.236 4.340 -0.001 0.000 0.210 374 L C 1.499 178.298 176.870 -0.119 0.000 1.092 374 L CA 1.778 56.550 54.840 -0.113 0.000 0.759 374 L CB -0.498 41.551 42.059 -0.016 0.000 0.903 374 L HN 0.411 nan 8.230 nan 0.000 0.435 375 E N -0.965 119.190 120.200 -0.075 0.000 2.585 375 E HA 0.081 4.430 4.350 -0.001 0.000 0.206 375 E C -0.187 176.377 176.600 -0.059 0.000 1.007 375 E CA -0.240 56.118 56.400 -0.069 0.000 1.028 375 E CB -0.120 29.556 29.700 -0.041 0.000 1.087 375 E HN 0.238 nan 8.360 nan 0.000 0.455 376 N N 1.268 119.923 118.700 -0.076 0.000 2.508 376 N HA 0.080 4.820 4.740 -0.001 0.000 0.253 376 N C 0.608 176.081 175.510 -0.062 0.000 1.145 376 N CA -0.017 53.004 53.050 -0.049 0.000 0.973 376 N CB 0.910 39.365 38.487 -0.052 0.000 1.305 376 N HN 0.163 nan 8.380 nan 0.000 0.506 377 A N 3.140 125.938 122.820 -0.036 0.000 1.902 377 A HA -0.178 4.142 4.320 -0.001 0.000 0.217 377 A C 1.967 179.540 177.584 -0.018 0.000 1.181 377 A CA 1.472 53.489 52.037 -0.034 0.000 0.623 377 A CB -0.366 18.622 19.000 -0.019 0.000 0.818 377 A HN 0.661 nan 8.150 nan 0.000 0.443 378 E N -0.362 119.854 120.200 0.025 0.000 2.051 378 E HA -0.167 4.183 4.350 -0.001 0.000 0.192 378 E C 1.799 178.410 176.600 0.017 0.000 0.991 378 E CA 1.360 57.809 56.400 0.082 0.000 0.799 378 E CB -0.370 29.440 29.700 0.184 0.000 0.748 378 E HN 0.411 nan 8.360 nan 0.000 0.449 379 L N 0.036 121.220 121.223 -0.064 0.000 2.027 379 L HA -0.044 4.296 4.340 -0.001 0.000 0.206 379 L C 2.154 178.835 176.870 -0.315 0.000 1.074 379 L CA 1.558 56.167 54.840 -0.384 0.000 0.745 379 L CB -0.481 41.319 42.059 -0.432 0.000 0.898 379 L HN 0.254 nan 8.230 nan 0.000 0.433 380 L N -0.246 120.856 121.223 -0.202 0.000 2.046 380 L HA -0.236 4.103 4.340 -0.001 0.000 0.208 380 L C 2.636 179.495 176.870 -0.018 0.000 1.077 380 L CA 1.904 56.678 54.840 -0.110 0.000 0.747 380 L CB -0.880 41.103 42.059 -0.127 0.000 0.896 380 L HN 0.381 nan 8.230 nan 0.000 0.432 381 K N 0.304 120.683 120.400 -0.035 0.000 2.097 381 K HA -0.182 4.138 4.320 -0.001 0.000 0.206 381 K C 2.181 178.748 176.600 -0.054 0.000 1.049 381 K CA 1.214 57.489 56.287 -0.020 0.000 0.933 381 K CB -0.313 32.178 32.500 -0.016 0.000 0.717 381 K HN 0.199 nan 8.250 nan 0.000 0.442 382 R N 0.899 121.344 120.500 -0.093 0.000 2.092 382 R HA -0.020 4.320 4.340 -0.001 0.000 0.231 382 R C 2.360 178.579 176.300 -0.135 0.000 1.119 382 R CA 1.186 57.219 56.100 -0.112 0.000 0.970 382 R CB -0.313 29.898 30.300 -0.148 0.000 0.864 382 R HN 0.044 nan 8.270 nan 0.000 0.440 383 V N 0.918 120.737 119.914 -0.158 0.000 2.307 383 V HA -0.220 3.900 4.120 -0.001 0.000 0.245 383 V C 2.443 178.446 176.094 -0.153 0.000 1.045 383 V CA 1.934 64.157 62.300 -0.129 0.000 1.024 383 V CB -0.723 31.038 31.823 -0.103 0.000 0.651 383 V HN 0.383 nan 8.190 nan 0.000 0.449 384 A N 0.157 122.873 122.820 -0.172 0.000 1.883 384 A HA -0.192 4.128 4.320 -0.001 0.000 0.217 384 A C 2.406 179.877 177.584 -0.189 0.000 1.186 384 A CA 2.456 54.321 52.037 -0.286 0.000 0.624 384 A CB -0.828 18.047 19.000 -0.207 0.000 0.822 384 A HN 0.585 nan 8.150 nan 0.000 0.444 385 A N -0.605 122.140 122.820 -0.124 0.000 1.897 385 A HA -0.003 4.317 4.320 -0.001 0.000 0.215 385 A C 2.194 179.717 177.584 -0.101 0.000 1.181 385 A CA 1.341 53.319 52.037 -0.098 0.000 0.620 385 A CB -0.538 18.420 19.000 -0.070 0.000 0.821 385 A HN 0.583 nan 8.150 nan 0.000 0.443 386 I N -0.137 120.370 120.570 -0.106 0.000 2.226 386 I HA -0.258 3.912 4.170 -0.001 0.000 0.245 386 I C 1.755 177.799 176.117 -0.122 0.000 1.100 386 I CA 1.576 62.813 61.300 -0.105 0.000 1.374 386 I CB -0.159 37.779 38.000 -0.104 0.000 1.057 386 I HN 0.269 nan 8.210 nan 0.000 0.413 387 N N 1.284 119.900 118.700 -0.141 0.000 2.244 387 N HA -0.077 4.663 4.740 -0.001 0.000 0.183 387 N C 1.775 177.204 175.510 -0.135 0.000 1.016 387 N CA 1.383 54.343 53.050 -0.151 0.000 0.866 387 N CB -0.414 37.964 38.487 -0.181 0.000 0.980 387 N HN 0.451 nan 8.380 nan 0.000 0.430 388 A N 0.726 123.467 122.820 -0.132 0.000 1.930 388 A HA 0.131 4.451 4.320 -0.001 0.000 0.217 388 A C 2.282 179.815 177.584 -0.085 0.000 1.175 388 A CA 1.594 53.568 52.037 -0.106 0.000 0.627 388 A CB -0.644 18.294 19.000 -0.103 0.000 0.815 388 A HN 0.283 nan 8.150 nan 0.000 0.443 389 A N -0.993 121.776 122.820 -0.086 0.000 1.969 389 A HA -0.114 4.205 4.320 -0.001 0.000 0.218 389 A C 2.123 179.660 177.584 -0.078 0.000 1.169 389 A CA 1.955 53.948 52.037 -0.073 0.000 0.635 389 A CB -0.361 18.598 19.000 -0.069 0.000 0.810 389 A HN 0.522 nan 8.150 nan 0.000 0.445 390 Q N 0.791 120.533 119.800 -0.097 0.000 2.096 390 Q HA -0.008 4.332 4.340 -0.001 0.000 0.197 390 Q C 0.104 176.054 176.000 -0.083 0.000 0.964 390 Q CA 0.665 56.404 55.803 -0.106 0.000 0.838 390 Q CB -0.200 28.452 28.738 -0.143 0.000 0.906 390 Q HN 0.556 nan 8.270 nan 0.000 0.444 391 N N 1.700 120.353 118.700 -0.077 0.000 2.454 391 N HA -0.011 4.729 4.740 -0.001 0.000 0.254 391 N C -1.857 173.629 175.510 -0.041 0.000 1.228 391 N CA -0.657 52.360 53.050 -0.056 0.000 0.900 391 N CB 0.507 38.960 38.487 -0.056 0.000 1.089 391 N HN 0.168 nan 8.380 nan 0.000 0.449 392 P HA -0.200 nan 4.420 nan 0.000 0.214 392 P C 0.299 177.588 177.300 -0.018 0.000 1.169 392 P CA 1.576 64.665 63.100 -0.017 0.000 0.908 392 P CB 0.359 32.055 31.700 -0.006 0.000 0.791 393 N N -0.976 117.713 118.700 -0.017 0.000 2.320 393 N HA 0.065 4.805 4.740 -0.001 0.000 0.237 393 N C -0.327 175.168 175.510 -0.026 0.000 1.129 393 N CA -0.064 52.975 53.050 -0.017 0.000 0.854 393 N CB -0.468 38.012 38.487 -0.010 0.000 1.083 393 N HN 0.082 nan 8.380 nan 0.000 0.504 394 N N 1.209 119.888 118.700 -0.035 0.000 2.741 394 N HA -0.222 4.517 4.740 -0.001 0.000 0.251 394 N C -0.267 175.211 175.510 -0.053 0.000 1.112 394 N CA 0.519 53.541 53.050 -0.046 0.000 0.750 394 N CB -0.855 37.608 38.487 -0.041 0.000 1.119 394 N HN 0.562 nan 8.380 nan 0.000 0.561 395 E N 1.006 121.178 120.200 -0.047 0.000 2.384 395 E HA 0.188 4.538 4.350 -0.001 0.000 0.266 395 E C -0.207 176.342 176.600 -0.084 0.000 1.012 395 E CA -0.369 56.001 56.400 -0.050 0.000 0.901 395 E CB 0.745 30.428 29.700 -0.027 0.000 0.967 395 E HN 0.048 nan 8.360 nan 0.000 0.435 396 V N 4.636 124.486 119.914 -0.107 0.000 2.614 396 V HA 0.229 4.349 4.120 -0.001 0.000 0.291 396 V C 0.477 176.439 176.094 -0.219 0.000 1.049 396 V CA 0.476 62.657 62.300 -0.198 0.000 1.038 396 V CB 1.131 32.816 31.823 -0.230 0.000 0.980 396 V HN 0.933 nan 8.190 nan 0.000 0.481 397 T N 1.634 115.995 114.554 -0.322 0.000 2.864 397 T HA 0.548 4.898 4.350 -0.001 0.000 0.299 397 T C -0.479 173.963 174.700 -0.429 0.000 1.166 397 T CA -0.496 61.463 62.100 -0.236 0.000 1.007 397 T CB 1.434 70.114 68.868 -0.314 0.000 1.219 397 T HN 0.306 nan 8.240 nan 0.000 0.506 398 Y N 0.278 120.716 120.300 0.231 0.000 2.584 398 Y HA 0.450 5.000 4.550 -0.001 0.000 0.254 398 Y C 0.767 176.689 175.900 0.036 0.000 1.177 398 Y CA -0.863 57.280 58.100 0.071 0.000 1.216 398 Y CB 0.025 38.497 38.460 0.021 0.000 1.172 398 Y HN 0.347 nan 8.280 nan 0.000 0.529 399 L N 1.264 122.445 121.223 -0.070 0.000 2.506 399 L HA -0.044 4.296 4.340 -0.001 0.000 0.281 399 L C 0.166 177.002 176.870 -0.056 0.000 1.228 399 L CA -0.409 54.323 54.840 -0.179 0.000 0.850 399 L CB 0.352 42.161 42.059 -0.417 0.000 1.110 399 L HN 0.133 nan 8.230 nan 0.000 0.496 400 L N 6.236 127.344 121.223 -0.191 0.000 2.456 400 L HA 0.291 4.631 4.340 -0.001 0.000 0.277 400 L C -2.208 174.474 176.870 -0.314 0.000 1.124 400 L CA -1.399 53.131 54.840 -0.517 0.000 0.880 400 L CB 0.052 41.608 42.059 -0.838 0.000 1.192 400 L HN 0.249 nan 8.230 nan 0.000 0.463 401 P HA 0.083 nan 4.420 nan 0.000 0.267 401 P C -1.143 176.025 177.300 -0.220 0.000 1.209 401 P CA 0.043 63.018 63.100 -0.208 0.000 0.763 401 P CB 0.429 32.013 31.700 -0.194 0.000 0.816 402 Q N 1.979 121.675 119.800 -0.172 0.000 2.222 402 Q HA 0.441 4.780 4.340 -0.001 0.000 0.252 402 Q C 0.881 176.786 176.000 -0.157 0.000 0.926 402 Q CA -0.638 55.070 55.803 -0.158 0.000 0.899 402 Q CB 1.706 30.382 28.738 -0.104 0.000 1.250 402 Q HN 0.451 nan 8.270 nan 0.000 0.441 403 A N 2.155 124.844 122.820 -0.219 0.000 2.238 403 A HA 0.185 4.505 4.320 -0.001 0.000 0.208 403 A C 0.746 178.062 177.584 -0.446 0.000 1.177 403 A CA 0.377 52.213 52.037 -0.336 0.000 0.804 403 A CB -0.182 18.596 19.000 -0.371 0.000 0.823 403 A HN 0.635 nan 8.150 nan 0.000 0.482 404 I N -5.611 114.760 120.570 -0.332 0.000 2.686 404 I HA 0.342 4.511 4.170 -0.001 0.000 0.295 404 I C 0.468 176.366 176.117 -0.365 0.000 1.114 404 I CA -0.910 60.060 61.300 -0.550 0.000 1.038 404 I CB 1.482 38.993 38.000 -0.814 0.000 1.238 404 I HN -0.145 nan 8.210 nan 0.000 0.420 405 Q N 3.290 122.740 119.800 -0.583 0.000 2.181 405 Q HA -0.187 4.153 4.340 -0.001 0.000 0.205 405 Q C 1.427 177.325 176.000 -0.170 0.000 0.980 405 Q CA 2.322 57.894 55.803 -0.384 0.000 0.862 405 Q CB 0.026 28.489 28.738 -0.459 0.000 0.905 405 Q HN 0.898 nan 8.270 nan 0.000 0.429 406 E N -0.131 119.991 120.200 -0.131 0.000 2.478 406 E HA 0.175 4.524 4.350 -0.001 0.000 0.194 406 E C 0.962 177.523 176.600 -0.064 0.000 1.045 406 E CA 0.526 56.892 56.400 -0.057 0.000 0.868 406 E CB 0.092 29.808 29.700 0.028 0.000 0.885 406 E HN 0.183 nan 8.360 nan 0.000 0.505 407 G N 1.948 110.691 108.800 -0.094 0.000 2.569 407 G HA2 -0.373 3.587 3.960 -0.001 0.000 0.259 407 G HA3 -0.373 3.587 3.960 -0.001 0.000 0.259 407 G C 0.120 174.973 174.900 -0.078 0.000 1.263 407 G CA 0.430 45.471 45.100 -0.099 0.000 0.928 407 G HN 0.747 nan 8.290 nan 0.000 0.572 408 S N 1.202 116.839 115.700 -0.105 0.000 2.584 408 S HA 0.547 5.017 4.470 -0.001 0.000 0.270 408 S C -1.805 172.751 174.600 -0.074 0.000 1.346 408 S CA -0.051 58.074 58.200 -0.125 0.000 1.018 408 S CB 1.177 64.264 63.200 -0.188 0.000 0.899 408 S HN 0.702 nan 8.310 nan 0.000 0.542 409 P HA 0.127 nan 4.420 nan 0.000 0.271 409 P C -0.288 176.949 177.300 -0.106 0.000 1.238 409 P CA -0.175 62.882 63.100 -0.072 0.000 0.794 409 P CB 0.035 31.633 31.700 -0.170 0.000 0.959 410 T N 0.911 115.530 114.554 0.109 0.000 3.855 410 T HA 0.282 4.631 4.350 -0.001 0.000 0.306 410 T C -0.295 174.583 174.700 0.298 0.000 1.575 410 T CA -0.148 62.137 62.100 0.308 0.000 1.214 410 T CB -1.368 67.714 68.868 0.357 0.000 1.262 410 T HN 0.601 nan 8.240 nan 0.000 0.883 411 H N -1.498 117.403 119.070 -0.283 0.000 3.068 411 H HA 0.548 5.104 4.556 -0.000 0.000 0.342 411 H C -3.467 170.886 175.328 -1.625 0.000 1.284 411 H CA -2.520 52.809 56.048 -1.198 0.000 1.181 411 H CB 0.121 29.511 29.762 -0.620 0.000 1.898 411 H HN -0.090 nan 8.280 nan 0.000 0.540 412 P HA -0.040 nan 4.420 nan 0.000 0.270 412 P C 0.696 177.794 177.300 -0.336 0.000 1.221 412 P CA 0.110 62.608 63.100 -1.003 0.000 0.788 412 P CB 0.833 32.065 31.700 -0.780 0.000 0.904 413 S N 0.266 116.002 115.700 0.060 0.000 2.371 413 S HA -0.102 4.368 4.470 -0.001 0.000 0.224 413 S C 0.338 175.223 174.600 0.475 0.000 1.029 413 S CA 0.863 59.252 58.200 0.315 0.000 0.978 413 S CB -0.451 63.124 63.200 0.624 0.000 0.833 413 S HN 0.487 nan 8.310 nan 0.000 0.466 414 Y N 3.595 124.035 120.300 0.234 0.000 2.335 414 Y HA 0.529 5.078 4.550 -0.000 0.000 0.338 414 Y C -2.576 173.339 175.900 0.024 0.000 0.977 414 Y CA -2.883 55.307 58.100 0.149 0.000 1.114 414 Y CB 1.510 40.022 38.460 0.087 0.000 1.182 414 Y HN 0.113 nan 8.280 nan 0.000 0.463 415 P HA 0.140 nan 4.420 nan 0.000 0.297 415 P C -0.849 176.417 177.300 -0.057 0.000 1.307 415 P CA -0.573 62.366 63.100 -0.269 0.000 0.773 415 P CB 1.319 32.792 31.700 -0.378 0.000 1.265 416 S N -1.315 114.298 115.700 -0.146 0.000 2.528 416 S HA 0.332 4.801 4.470 -0.001 0.000 0.277 416 S C 1.648 176.236 174.600 -0.020 0.000 1.297 416 S CA 0.057 58.048 58.200 -0.350 0.000 1.052 416 S CB -0.501 62.311 63.200 -0.648 0.000 0.917 416 S HN 0.549 nan 8.310 nan 0.000 0.492 417 G N 2.873 111.777 108.800 0.174 0.000 2.408 417 G HA2 -0.088 3.871 3.960 -0.001 0.000 0.215 417 G HA3 -0.088 3.871 3.960 -0.001 0.000 0.215 417 G C 1.092 176.086 174.900 0.156 0.000 1.156 417 G CA 0.478 45.726 45.100 0.247 0.000 0.793 417 G HN 0.862 nan 8.290 nan 0.000 0.535 418 H N 0.860 120.001 119.070 0.119 0.000 2.352 418 H HA 0.086 4.642 4.556 -0.000 0.000 0.299 418 H C 2.844 178.189 175.328 0.028 0.000 1.097 418 H CA 1.637 57.743 56.048 0.096 0.000 1.311 418 H CB -0.064 29.777 29.762 0.132 0.000 1.377 418 H HN 0.379 nan 8.280 nan 0.000 0.504 419 A N -0.331 122.555 122.820 0.109 0.000 1.898 419 A HA -0.172 4.147 4.320 -0.001 0.000 0.216 419 A C 2.411 179.992 177.584 -0.004 0.000 1.181 419 A CA 1.993 54.055 52.037 0.042 0.000 0.620 419 A CB -0.864 18.149 19.000 0.021 0.000 0.819 419 A HN 0.445 nan 8.150 nan 0.000 0.442 420 T N 0.814 115.360 114.554 -0.015 0.000 2.746 420 T HA -0.205 4.144 4.350 -0.001 0.000 0.267 420 T C 2.145 176.749 174.700 -0.160 0.000 1.039 420 T CA 1.733 63.806 62.100 -0.045 0.000 1.142 420 T CB -0.364 68.497 68.868 -0.011 0.000 0.866 420 T HN 0.843 nan 8.240 nan 0.000 0.444 421 Q N 1.058 120.718 119.800 -0.234 0.000 2.119 421 Q HA -0.058 4.282 4.340 -0.001 0.000 0.201 421 Q C 1.916 177.308 176.000 -1.013 0.000 0.972 421 Q CA 1.151 56.579 55.803 -0.626 0.000 0.847 421 Q CB -0.377 28.104 28.738 -0.428 0.000 0.903 421 Q HN 0.426 nan 8.270 nan 0.000 0.433 422 N N 0.742 119.209 118.700 -0.388 0.000 2.396 422 N HA -0.055 4.685 4.740 -0.001 0.000 0.180 422 N C 1.841 177.320 175.510 -0.052 0.000 1.028 422 N CA 1.108 54.081 53.050 -0.127 0.000 0.893 422 N CB 0.005 38.538 38.487 0.077 0.000 0.967 422 N HN 0.491 nan 8.380 nan 0.000 0.440 423 G N 0.899 109.681 108.800 -0.029 0.000 2.394 423 G HA2 -0.118 3.842 3.960 -0.001 0.000 0.215 423 G HA3 -0.118 3.842 3.960 -0.001 0.000 0.215 423 G C 1.683 176.580 174.900 -0.005 0.000 1.165 423 G CA 0.885 46.102 45.100 0.196 0.000 0.784 423 G HN 0.353 nan 8.290 nan 0.000 0.535 424 A N 0.852 123.549 122.820 -0.206 0.000 1.865 424 A HA 0.079 4.399 4.320 -0.001 0.000 0.217 424 A C 2.140 179.602 177.584 -0.202 0.000 1.191 424 A CA 1.661 53.547 52.037 -0.252 0.000 0.623 424 A CB -0.621 18.164 19.000 -0.358 0.000 0.826 424 A HN 0.270 nan 8.150 nan 0.000 0.444 425 F N 0.304 120.201 119.950 -0.088 0.000 2.216 425 F HA -0.004 4.523 4.527 -0.001 0.000 0.300 425 F C 2.760 178.444 175.800 -0.193 0.000 1.085 425 F CA 0.226 58.134 58.000 -0.154 0.000 1.326 425 F CB -1.211 37.718 39.000 -0.119 0.000 1.027 425 F HN 0.256 nan 8.300 nan 0.000 0.497 426 A N -0.250 122.587 122.820 0.030 0.000 1.933 426 A HA -0.158 4.162 4.320 -0.001 0.000 0.218 426 A C 2.283 179.728 177.584 -0.232 0.000 1.175 426 A CA 2.207 54.220 52.037 -0.039 0.000 0.628 426 A CB -1.288 17.784 19.000 0.120 0.000 0.814 426 A HN 0.357 nan 8.150 nan 0.000 0.444 427 T N -0.517 113.862 114.554 -0.291 0.000 2.812 427 T HA -0.075 4.275 4.350 -0.001 0.000 0.264 427 T C 1.885 176.223 174.700 -0.603 0.000 1.042 427 T CA 1.419 63.242 62.100 -0.463 0.000 1.140 427 T CB -0.325 68.337 68.868 -0.342 0.000 0.870 427 T HN 0.156 nan 8.240 nan 0.000 0.445 428 V N 1.633 121.291 119.914 -0.427 0.000 2.295 428 V HA -0.120 3.999 4.120 -0.001 0.000 0.246 428 V C 2.484 178.277 176.094 -0.500 0.000 1.049 428 V CA 1.497 63.518 62.300 -0.466 0.000 1.024 428 V CB -0.683 30.945 31.823 -0.325 0.000 0.648 428 V HN 0.424 nan 8.190 nan 0.000 0.447 429 L N -0.545 120.430 121.223 -0.413 0.000 2.017 429 L HA -0.205 4.135 4.340 -0.001 0.000 0.208 429 L C 2.618 179.315 176.870 -0.289 0.000 1.073 429 L CA 1.786 56.410 54.840 -0.361 0.000 0.745 429 L CB -0.658 41.238 42.059 -0.272 0.000 0.894 429 L HN 0.270 nan 8.230 nan 0.000 0.432 430 K N 0.034 120.232 120.400 -0.337 0.000 2.063 430 K HA -0.171 4.148 4.320 -0.001 0.000 0.208 430 K C 2.232 178.579 176.600 -0.421 0.000 1.048 430 K CA 1.424 57.530 56.287 -0.303 0.000 0.928 430 K CB -0.297 32.045 32.500 -0.263 0.000 0.713 430 K HN 0.303 nan 8.250 nan 0.000 0.442 431 A N 1.316 123.602 122.820 -0.889 0.000 1.902 431 A HA -0.129 4.191 4.320 -0.001 0.000 0.217 431 A C 2.133 179.628 177.584 -0.148 0.000 1.181 431 A CA 1.255 52.817 52.037 -0.792 0.000 0.623 431 A CB -0.561 17.677 19.000 -1.270 0.000 0.818 431 A HN 0.156 nan 8.150 nan 0.000 0.443 432 L N -0.762 120.354 121.223 -0.178 0.000 2.072 432 L HA -0.088 4.252 4.340 -0.001 0.000 0.205 432 L C 2.446 179.486 176.870 0.284 0.000 1.079 432 L CA 0.958 55.854 54.840 0.093 0.000 0.752 432 L CB -0.328 41.604 42.059 -0.212 0.000 0.906 432 L HN 0.366 nan 8.230 nan 0.000 0.436 433 I N -0.547 120.117 120.570 0.156 0.000 2.286 433 I HA -0.095 4.075 4.170 -0.001 0.000 0.248 433 I C 1.113 177.322 176.117 0.154 0.000 1.115 433 I CA 0.802 62.222 61.300 0.200 0.000 1.392 433 I CB -0.535 37.517 38.000 0.088 0.000 1.065 433 I HN 0.411 nan 8.210 nan 0.000 0.418 434 G N -0.030 108.851 108.800 0.135 0.000 2.705 434 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.686 434 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.686 434 G C 0.004 174.983 174.900 0.132 0.000 1.285 434 G CA -0.301 44.888 45.100 0.149 0.000 0.800 434 G HN 0.108 nan 8.290 nan 0.000 0.611 435 L N 1.047 122.349 121.223 0.131 0.000 1.990 435 L HA -0.011 4.329 4.340 -0.001 0.000 0.213 435 L C 2.450 179.374 176.870 0.090 0.000 1.072 435 L CA 3.319 58.223 54.840 0.106 0.000 0.755 435 L CB -0.780 41.322 42.059 0.072 0.000 0.889 435 L HN 0.945 nan 8.230 nan 0.000 0.432 436 D N -1.028 119.416 120.400 0.074 0.000 2.106 436 D HA -0.248 4.392 4.640 -0.001 0.000 0.191 436 D C 2.199 178.554 176.300 0.092 0.000 0.997 436 D CA 1.764 55.804 54.000 0.068 0.000 0.834 436 D CB -0.060 40.768 40.800 0.047 0.000 0.956 436 D HN 0.318 nan 8.370 nan 0.000 0.448 437 R N -0.487 120.072 120.500 0.100 0.000 2.189 437 R HA 0.098 4.437 4.340 -0.001 0.000 0.218 437 R C 2.480 178.911 176.300 0.218 0.000 1.074 437 R CA 0.813 56.995 56.100 0.136 0.000 0.991 437 R CB -0.244 30.103 30.300 0.079 0.000 0.883 437 R HN 0.258 nan 8.270 nan 0.000 0.457 438 G N 0.451 109.356 108.800 0.175 0.000 2.448 438 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.219 438 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.219 438 G C 1.329 176.352 174.900 0.204 0.000 1.127 438 G CA 0.791 46.012 45.100 0.201 0.000 0.766 438 G HN 0.448 nan 8.290 nan 0.000 0.552 439 G N -0.250 108.642 108.800 0.152 0.000 2.813 439 G HA2 0.104 4.064 3.960 -0.001 0.000 0.209 439 G HA3 0.104 4.064 3.960 -0.001 0.000 0.209 439 G C 0.182 175.138 174.900 0.093 0.000 1.150 439 G CA -0.124 45.040 45.100 0.106 0.000 0.785 439 G HN 0.243 nan 8.290 nan 0.000 0.535 440 D N 0.196 120.688 120.400 0.154 0.000 2.399 440 D HA 0.192 4.831 4.640 -0.001 0.000 0.241 440 D C 0.379 176.596 176.300 -0.139 0.000 1.133 440 D CA -0.063 53.992 54.000 0.093 0.000 0.890 440 D CB 1.307 42.262 40.800 0.257 0.000 1.201 440 D HN 0.002 nan 8.370 nan 0.000 0.432 441 c N 2.195 120.691 118.600 -0.173 0.000 2.527 441 c HA 0.122 4.691 4.570 -0.001 0.000 0.396 441 c C 0.584 174.397 174.090 -0.462 0.000 1.289 441 c CA -0.855 55.329 56.329 -0.241 0.000 2.047 441 c CB -0.833 41.630 42.510 -0.079 0.000 2.568 441 c HN 0.469 nan 8.230 nan 0.000 0.573 442 Y N 5.446 125.385 120.300 -0.601 0.000 2.811 442 Y HA 0.082 4.632 4.550 -0.000 0.000 0.334 442 Y C -0.911 174.876 175.900 -0.188 0.000 1.247 442 Y CA -0.569 57.218 58.100 -0.521 0.000 1.526 442 Y CB 0.712 39.023 38.460 -0.248 0.000 1.284 442 Y HN 0.598 nan 8.280 nan 0.000 0.586 443 P HA -0.089 nan 4.420 nan 0.000 0.215 443 P C -0.528 176.795 177.300 0.037 0.000 1.157 443 P CA 1.373 64.412 63.100 -0.101 0.000 0.856 443 P CB 0.343 31.977 31.700 -0.111 0.000 0.786 444 D N -0.681 119.791 120.400 0.121 0.000 2.513 444 D HA 0.212 4.851 4.640 -0.001 0.000 0.295 444 D C -2.680 173.825 176.300 0.341 0.000 1.202 444 D CA -1.930 52.190 54.000 0.200 0.000 0.849 444 D CB 0.620 41.494 40.800 0.123 0.000 1.116 444 D HN 0.156 nan 8.370 nan 0.000 0.502 445 P HA 0.207 nan 4.420 nan 0.000 0.275 445 P C 0.164 177.576 177.300 0.186 0.000 1.228 445 P CA -0.281 62.960 63.100 0.235 0.000 0.786 445 P CB 1.906 33.742 31.700 0.225 0.000 0.927 446 V N 0.051 120.006 119.914 0.068 0.000 3.156 446 V HA 0.809 4.929 4.120 -0.001 0.000 0.310 446 V C -1.381 174.744 176.094 0.052 0.000 1.234 446 V CA -1.195 61.124 62.300 0.032 0.000 1.065 446 V CB 1.779 33.553 31.823 -0.082 0.000 1.088 446 V HN 0.645 nan 8.190 nan 0.000 0.451 447 Y N -1.992 118.292 120.300 -0.026 0.000 2.479 447 Y HA 0.937 5.487 4.550 -0.001 0.000 0.338 447 Y C -3.296 172.567 175.900 -0.061 0.000 1.055 447 Y CA -3.051 55.023 58.100 -0.044 0.000 1.023 447 Y CB 1.540 40.005 38.460 0.009 0.000 1.287 447 Y HN 0.447 nan 8.280 nan 0.000 0.447 448 P HA 0.058 nan 4.420 nan 0.000 0.268 448 P C -0.498 176.901 177.300 0.165 0.000 1.205 448 P CA 0.148 63.245 63.100 -0.005 0.000 0.771 448 P CB 0.726 32.483 31.700 0.095 0.000 0.858 449 D N 1.340 121.795 120.400 0.093 0.000 2.372 449 D HA -0.037 4.603 4.640 -0.001 0.000 0.243 449 D C 0.476 176.883 176.300 0.178 0.000 1.297 449 D CA 0.067 54.157 54.000 0.150 0.000 0.958 449 D CB -0.018 40.836 40.800 0.090 0.000 1.114 449 D HN 0.215 nan 8.370 nan 0.000 0.496 450 D N -0.911 119.583 120.400 0.156 0.000 2.218 450 D HA -0.106 4.533 4.640 -0.001 0.000 0.204 450 D C 0.804 177.163 176.300 0.098 0.000 0.976 450 D CA 0.892 54.964 54.000 0.119 0.000 0.853 450 D CB -0.115 40.742 40.800 0.096 0.000 0.939 450 D HN 0.400 nan 8.370 nan 0.000 0.481 451 D N -0.611 119.850 120.400 0.102 0.000 2.349 451 D HA 0.098 4.738 4.640 -0.001 0.000 0.215 451 D C 1.379 177.750 176.300 0.118 0.000 1.016 451 D CA 0.611 54.666 54.000 0.091 0.000 0.870 451 D CB 0.311 41.158 40.800 0.079 0.000 0.917 451 D HN 0.219 nan 8.370 nan 0.000 0.524 452 G N 1.132 110.034 108.800 0.169 0.000 2.198 452 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.260 452 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.260 452 G C 0.837 175.930 174.900 0.320 0.000 1.025 452 G CA 0.368 45.627 45.100 0.266 0.000 0.769 452 G HN 0.410 nan 8.290 nan 0.000 0.507 453 L N -1.829 119.550 121.223 0.260 0.000 2.609 453 L HA 0.385 4.725 4.340 -0.001 0.000 0.230 453 L C 1.290 178.344 176.870 0.306 0.000 1.087 453 L CA 0.583 55.550 54.840 0.212 0.000 0.874 453 L CB 0.270 42.395 42.059 0.111 0.000 1.114 453 L HN 0.147 nan 8.230 nan 0.000 0.488 454 K N 0.501 121.071 120.400 0.283 0.000 2.508 454 K HA 0.580 4.900 4.320 -0.001 0.000 0.260 454 K C -1.314 175.271 176.600 -0.025 0.000 0.949 454 K CA -0.686 55.705 56.287 0.173 0.000 0.834 454 K CB 3.029 35.574 32.500 0.075 0.000 1.365 454 K HN -0.118 nan 8.250 nan 0.000 0.437 455 L N 3.139 124.273 121.223 -0.148 0.000 2.282 455 L HA 0.454 4.793 4.340 -0.001 0.000 0.288 455 L C -0.486 176.237 176.870 -0.246 0.000 1.033 455 L CA -1.054 53.603 54.840 -0.305 0.000 0.807 455 L CB 0.786 42.635 42.059 -0.350 0.000 1.209 455 L HN 0.337 nan 8.230 nan 0.000 0.423 456 I N 2.128 122.457 120.570 -0.401 0.000 2.377 456 I HA 0.238 4.408 4.170 -0.001 0.000 0.293 456 I C -0.007 175.889 176.117 -0.369 0.000 0.987 456 I CA -0.698 60.327 61.300 -0.459 0.000 1.185 456 I CB 1.343 38.847 38.000 -0.827 0.000 1.341 456 I HN 0.469 nan 8.210 nan 0.000 0.455 457 D N 5.082 125.387 120.400 -0.158 0.000 2.443 457 D HA 0.072 4.712 4.640 -0.001 0.000 0.239 457 D C -0.382 175.958 176.300 0.066 0.000 1.136 457 D CA 0.399 54.383 54.000 -0.027 0.000 0.879 457 D CB 0.762 41.560 40.800 -0.003 0.000 1.195 457 D HN 0.298 nan 8.370 nan 0.000 0.443 458 F N 2.419 122.390 119.950 0.034 0.000 2.425 458 F HA 0.485 5.012 4.527 -0.001 0.000 0.331 458 F C 0.140 175.988 175.800 0.080 0.000 1.085 458 F CA -0.789 57.288 58.000 0.128 0.000 1.028 458 F CB 0.996 40.087 39.000 0.152 0.000 1.177 458 F HN 0.346 nan 8.300 nan 0.000 0.487 459 R N 2.914 122.769 120.500 -1.074 0.000 2.764 459 R HA 0.700 5.040 4.340 -0.001 0.000 0.270 459 R C -0.162 175.587 176.300 -0.919 0.000 1.014 459 R CA -0.563 55.079 56.100 -0.764 0.000 0.904 459 R CB 1.387 31.499 30.300 -0.314 0.000 1.236 459 R HN 1.183 nan 8.270 nan 0.000 0.466 460 G N -0.095 108.442 108.800 -0.439 0.000 2.201 460 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.212 460 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.212 460 G C -0.539 174.318 174.900 -0.071 0.000 0.994 460 G CA 0.115 45.072 45.100 -0.238 0.000 0.644 460 G HN 0.719 nan 8.290 nan 0.000 0.508 461 S N -0.985 114.734 115.700 0.032 0.000 2.540 461 S HA 0.512 4.982 4.470 -0.001 0.000 0.275 461 S C -0.215 174.514 174.600 0.215 0.000 1.123 461 S CA -0.001 58.316 58.200 0.194 0.000 0.907 461 S CB 2.068 65.451 63.200 0.306 0.000 1.081 461 S HN 1.196 nan 8.310 nan 0.000 0.476 462 c N 5.169 123.839 118.600 0.117 0.000 2.540 462 c HA 0.420 4.989 4.570 -0.001 0.000 0.377 462 c C 0.044 174.173 174.090 0.065 0.000 1.274 462 c CA -0.537 55.839 56.329 0.078 0.000 1.718 462 c CB -2.303 40.228 42.510 0.035 0.000 2.391 462 c HN 0.718 nan 8.230 nan 0.000 0.565 463 L N 8.297 129.555 121.223 0.058 0.000 2.334 463 L HA 0.227 4.566 4.340 -0.001 0.000 0.286 463 L C 1.372 178.210 176.870 -0.054 0.000 1.108 463 L CA -0.057 54.775 54.840 -0.014 0.000 0.875 463 L CB -0.048 41.967 42.059 -0.073 0.000 1.246 463 L HN 0.845 nan 8.230 nan 0.000 0.439 464 T N -1.957 112.577 114.554 -0.033 0.000 2.906 464 T HA 0.030 4.380 4.350 -0.001 0.000 0.320 464 T C 1.157 175.861 174.700 0.007 0.000 1.088 464 T CA -0.177 61.899 62.100 -0.039 0.000 1.120 464 T CB 0.720 69.608 68.868 0.033 0.000 1.000 464 T HN 0.222 nan 8.240 nan 0.000 0.550 465 F N 1.431 121.454 119.950 0.120 0.000 2.102 465 F HA -0.008 4.518 4.527 -0.000 0.000 0.298 465 F C 2.678 178.530 175.800 0.087 0.000 1.105 465 F CA 1.805 59.885 58.000 0.133 0.000 1.239 465 F CB -0.782 38.287 39.000 0.114 0.000 0.991 465 F HN 0.881 nan 8.300 nan 0.000 0.474 466 E N -0.419 119.936 120.200 0.257 0.000 2.118 466 E HA -0.160 4.190 4.350 -0.001 0.000 0.195 466 E C 2.499 179.171 176.600 0.120 0.000 0.992 466 E CA 1.371 57.862 56.400 0.151 0.000 0.804 466 E CB -1.098 28.674 29.700 0.120 0.000 0.741 466 E HN 0.384 nan 8.360 nan 0.000 0.458 467 G N 1.176 110.037 108.800 0.101 0.000 2.408 467 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.217 467 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.217 467 G C 1.529 176.453 174.900 0.041 0.000 1.150 467 G CA 0.570 45.708 45.100 0.063 0.000 0.776 467 G HN 0.138 nan 8.290 nan 0.000 0.542 468 E N 0.247 120.479 120.200 0.054 0.000 2.285 468 E HA 0.060 4.409 4.350 -0.001 0.000 0.194 468 E C 2.507 179.141 176.600 0.056 0.000 0.997 468 E CA 0.117 56.526 56.400 0.015 0.000 0.845 468 E CB 0.036 29.735 29.700 -0.002 0.000 0.782 468 E HN 0.512 nan 8.360 nan 0.000 0.491 469 I N 1.584 122.218 120.570 0.107 0.000 2.233 469 I HA -0.241 3.929 4.170 -0.001 0.000 0.243 469 I C 1.865 178.052 176.117 0.116 0.000 1.093 469 I CA 0.734 62.091 61.300 0.096 0.000 1.380 469 I CB -0.227 37.820 38.000 0.079 0.000 1.067 469 I HN 0.004 nan 8.210 nan 0.000 0.413 470 N N 1.074 119.866 118.700 0.154 0.000 2.104 470 N HA -0.229 4.510 4.740 -0.001 0.000 0.190 470 N C 1.750 177.314 175.510 0.091 0.000 1.024 470 N CA 1.253 54.457 53.050 0.257 0.000 0.853 470 N CB -0.344 38.315 38.487 0.288 0.000 1.008 470 N HN 0.333 nan 8.380 nan 0.000 0.424 471 K N 0.485 120.888 120.400 0.004 0.000 2.057 471 K HA -0.103 4.217 4.320 -0.001 0.000 0.207 471 K C 1.936 178.476 176.600 -0.100 0.000 1.049 471 K CA 0.699 56.920 56.287 -0.110 0.000 0.931 471 K CB -0.190 32.219 32.500 -0.152 0.000 0.714 471 K HN 0.031 nan 8.250 nan 0.000 0.440 472 L N 1.074 122.282 121.223 -0.026 0.000 2.012 472 L HA -0.135 4.205 4.340 -0.001 0.000 0.210 472 L C 2.160 179.045 176.870 0.025 0.000 1.073 472 L CA 2.211 57.056 54.840 0.009 0.000 0.748 472 L CB -0.865 41.220 42.059 0.043 0.000 0.891 472 L HN 0.204 nan 8.230 nan 0.000 0.431 473 A N -1.109 121.739 122.820 0.047 0.000 1.902 473 A HA -0.138 4.181 4.320 -0.001 0.000 0.217 473 A C 2.246 179.795 177.584 -0.058 0.000 1.181 473 A CA 2.043 54.110 52.037 0.051 0.000 0.623 473 A CB -1.105 17.977 19.000 0.137 0.000 0.818 473 A HN 0.330 nan 8.150 nan 0.000 0.443 474 V N 0.689 120.495 119.914 -0.179 0.000 2.548 474 V HA -0.257 3.863 4.120 -0.001 0.000 0.249 474 V C 2.066 177.943 176.094 -0.362 0.000 1.055 474 V CA 2.091 64.134 62.300 -0.430 0.000 1.065 474 V CB -1.186 30.261 31.823 -0.626 0.000 0.681 474 V HN 0.641 nan 8.190 nan 0.000 0.462 475 N N 0.019 118.614 118.700 -0.176 0.000 2.166 475 N HA -0.141 4.599 4.740 -0.001 0.000 0.186 475 N C 1.713 177.291 175.510 0.113 0.000 1.019 475 N CA 1.271 54.321 53.050 -0.000 0.000 0.856 475 N CB -0.134 38.379 38.487 0.043 0.000 0.993 475 N HN 0.322 nan 8.380 nan 0.000 0.426 476 V N 1.182 121.152 119.914 0.093 0.000 2.379 476 V HA -0.146 3.974 4.120 -0.001 0.000 0.245 476 V C 2.362 178.559 176.094 0.172 0.000 1.044 476 V CA 1.765 64.162 62.300 0.162 0.000 1.036 476 V CB -0.855 31.088 31.823 0.201 0.000 0.664 476 V HN 0.321 nan 8.190 nan 0.000 0.453 477 A N -0.054 122.849 122.820 0.139 0.000 1.877 477 A HA -0.176 4.144 4.320 -0.001 0.000 0.216 477 A C 2.005 179.789 177.584 0.333 0.000 1.186 477 A CA 1.822 53.971 52.037 0.187 0.000 0.620 477 A CB -0.669 18.412 19.000 0.134 0.000 0.822 477 A HN 0.453 nan 8.150 nan 0.000 0.443 478 F N 0.358 120.334 119.950 0.043 0.000 2.407 478 F HA 0.079 4.606 4.527 -0.001 0.000 0.299 478 F C 2.539 178.394 175.800 0.091 0.000 1.097 478 F CA 0.086 58.126 58.000 0.067 0.000 1.422 478 F CB -1.321 37.745 39.000 0.110 0.000 1.067 478 F HN 0.265 nan 8.300 nan 0.000 0.539 479 G N 0.092 109.070 108.800 0.297 0.000 2.422 479 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.218 479 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.218 479 G C 1.974 176.951 174.900 0.130 0.000 1.140 479 G CA 0.262 45.490 45.100 0.213 0.000 0.775 479 G HN 0.103 nan 8.290 nan 0.000 0.545 480 R N 0.413 120.977 120.500 0.108 0.000 2.075 480 R HA -0.032 4.307 4.340 -0.001 0.000 0.232 480 R C 2.658 178.997 176.300 0.065 0.000 1.126 480 R CA 1.211 57.361 56.100 0.084 0.000 0.963 480 R CB -0.904 29.493 30.300 0.162 0.000 0.858 480 R HN 0.507 nan 8.270 nan 0.000 0.435 481 Q N 0.175 120.007 119.800 0.053 0.000 2.135 481 Q HA -0.059 4.281 4.340 -0.001 0.000 0.204 481 Q C 2.101 178.027 176.000 -0.122 0.000 0.981 481 Q CA 1.600 57.360 55.803 -0.072 0.000 0.856 481 Q CB -0.214 28.421 28.738 -0.172 0.000 0.902 481 Q HN 0.292 nan 8.270 nan 0.000 0.425 482 M N -0.000 119.563 119.600 -0.062 0.000 2.460 482 M HA -0.107 4.373 4.480 -0.001 0.000 0.263 482 M C 1.692 177.947 176.300 -0.075 0.000 1.071 482 M CA 0.966 56.218 55.300 -0.081 0.000 1.096 482 M CB -0.011 32.593 32.600 0.007 0.000 1.408 482 M HN 0.193 nan 8.290 nan 0.000 0.463 483 L N -0.510 120.682 121.223 -0.052 0.000 2.291 483 L HA -0.012 4.327 4.340 -0.001 0.000 0.214 483 L C 1.549 178.322 176.870 -0.162 0.000 1.120 483 L CA 0.959 55.746 54.840 -0.089 0.000 0.799 483 L CB -0.370 41.655 42.059 -0.056 0.000 0.925 483 L HN 0.623 nan 8.230 nan 0.000 0.446 484 G N 0.247 108.935 108.800 -0.186 0.000 2.168 484 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.197 484 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.197 484 G C 0.662 175.394 174.900 -0.279 0.000 0.997 484 G CA 0.156 45.105 45.100 -0.251 0.000 0.658 484 G HN 0.444 nan 8.290 nan 0.000 0.513 485 I N -3.219 117.198 120.570 -0.255 0.000 4.025 485 I HA 0.573 4.743 4.170 -0.001 0.000 0.336 485 I C 0.176 175.995 176.117 -0.497 0.000 1.390 485 I CA -0.476 60.620 61.300 -0.340 0.000 1.099 485 I CB 0.300 38.128 38.000 -0.287 0.000 1.049 485 I HN 0.034 nan 8.210 nan 0.000 0.394 486 H N -0.060 118.844 119.070 -0.276 0.000 3.037 486 H HA 0.466 5.022 4.556 -0.001 0.000 0.355 486 H C -1.589 173.499 175.328 -0.400 0.000 1.263 486 H CA -0.537 55.364 56.048 -0.246 0.000 1.129 486 H CB 1.837 31.559 29.762 -0.066 0.000 1.861 486 H HN -0.073 nan 8.280 nan 0.000 0.546 487 Y N -0.138 120.094 120.300 -0.112 0.000 2.488 487 Y HA 0.266 4.816 4.550 -0.001 0.000 0.325 487 Y C 2.001 177.632 175.900 -0.449 0.000 1.204 487 Y CA -0.860 56.972 58.100 -0.447 0.000 1.229 487 Y CB 1.053 38.859 38.460 -1.090 0.000 1.274 487 Y HN 0.540 nan 8.280 nan 0.000 0.493 488 R N 0.725 121.040 120.500 -0.309 0.000 2.117 488 R HA -0.212 4.128 4.340 -0.001 0.000 0.243 488 R C 1.501 177.746 176.300 -0.093 0.000 1.143 488 R CA 2.425 58.363 56.100 -0.270 0.000 0.968 488 R CB -0.494 29.653 30.300 -0.255 0.000 0.863 488 R HN 0.784 nan 8.270 nan 0.000 0.444 489 F N 0.237 120.225 119.950 0.064 0.000 2.234 489 F HA 0.022 4.548 4.527 -0.001 0.000 0.299 489 F C 1.477 177.408 175.800 0.218 0.000 1.087 489 F CA 0.468 58.507 58.000 0.065 0.000 1.340 489 F CB -0.827 38.108 39.000 -0.110 0.000 1.031 489 F HN -0.087 nan 8.300 nan 0.000 0.500 490 D N 1.219 121.876 120.400 0.428 0.000 2.123 490 D HA -0.104 4.536 4.640 -0.001 0.000 0.196 490 D C 2.522 178.892 176.300 0.116 0.000 0.992 490 D CA 1.710 55.933 54.000 0.373 0.000 0.833 490 D CB -0.913 40.052 40.800 0.276 0.000 0.954 490 D HN 0.456 nan 8.370 nan 0.000 0.455 491 G N 0.711 109.569 108.800 0.097 0.000 2.404 491 G HA2 -0.123 3.837 3.960 -0.001 0.000 0.213 491 G HA3 -0.123 3.837 3.960 -0.001 0.000 0.213 491 G C 1.567 176.551 174.900 0.140 0.000 1.189 491 G CA 0.111 45.286 45.100 0.126 0.000 0.796 491 G HN 0.139 nan 8.290 nan 0.000 0.532 492 I N 0.856 121.521 120.570 0.158 0.000 2.353 492 I HA -0.061 4.108 4.170 -0.001 0.000 0.248 492 I C 2.736 178.955 176.117 0.169 0.000 1.119 492 I CA 0.811 62.180 61.300 0.114 0.000 1.417 492 I CB -0.957 37.061 38.000 0.031 0.000 1.078 492 I HN 0.175 nan 8.210 nan 0.000 0.421 493 Q N 0.725 120.626 119.800 0.170 0.000 2.123 493 Q HA -0.037 4.303 4.340 -0.001 0.000 0.199 493 Q C 2.349 178.372 176.000 0.039 0.000 0.966 493 Q CA 1.472 57.350 55.803 0.125 0.000 0.845 493 Q CB -0.772 28.065 28.738 0.165 0.000 0.907 493 Q HN 0.538 nan 8.270 nan 0.000 0.439 494 G N 1.027 109.836 108.800 0.014 0.000 2.421 494 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.216 494 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.216 494 G C 1.584 176.504 174.900 0.033 0.000 1.171 494 G CA 0.522 45.613 45.100 -0.015 0.000 0.775 494 G HN 0.266 nan 8.290 nan 0.000 0.543 495 L N -0.142 121.119 121.223 0.063 0.000 2.042 495 L HA -0.051 4.289 4.340 -0.001 0.000 0.210 495 L C 2.924 179.906 176.870 0.186 0.000 1.076 495 L CA 0.717 55.605 54.840 0.080 0.000 0.749 495 L CB -0.319 41.723 42.059 -0.029 0.000 0.893 495 L HN 0.196 nan 8.230 nan 0.000 0.432 496 L N -1.164 120.169 121.223 0.183 0.000 2.109 496 L HA -0.205 4.135 4.340 -0.001 0.000 0.207 496 L C 2.474 179.425 176.870 0.135 0.000 1.086 496 L CA 0.479 55.437 54.840 0.197 0.000 0.760 496 L CB -0.371 41.799 42.059 0.185 0.000 0.910 496 L HN 0.238 nan 8.230 nan 0.000 0.437 497 L N 0.313 121.588 121.223 0.086 0.000 2.017 497 L HA -0.095 4.245 4.340 -0.001 0.000 0.208 497 L C 2.376 179.277 176.870 0.051 0.000 1.073 497 L CA 2.216 57.089 54.840 0.054 0.000 0.745 497 L CB -1.152 40.917 42.059 0.017 0.000 0.894 497 L HN 0.142 nan 8.230 nan 0.000 0.432 498 G N -1.238 107.585 108.800 0.039 0.000 2.442 498 G HA2 -0.336 3.624 3.960 -0.001 0.000 0.219 498 G HA3 -0.336 3.624 3.960 -0.001 0.000 0.219 498 G C 1.495 176.398 174.900 0.005 0.000 1.141 498 G CA 0.848 45.945 45.100 -0.005 0.000 0.763 498 G HN 0.586 nan 8.290 nan 0.000 0.554 499 E N -0.148 120.094 120.200 0.070 0.000 2.047 499 E HA -0.121 4.229 4.350 -0.001 0.000 0.191 499 E C 2.479 179.116 176.600 0.061 0.000 0.987 499 E CA 1.492 57.908 56.400 0.027 0.000 0.799 499 E CB -0.195 29.532 29.700 0.044 0.000 0.752 499 E HN 0.339 nan 8.360 nan 0.000 0.449 500 T N 1.275 115.910 114.554 0.135 0.000 2.746 500 T HA -0.106 4.243 4.350 -0.001 0.000 0.267 500 T C 1.904 176.694 174.700 0.150 0.000 1.039 500 T CA 1.270 63.513 62.100 0.238 0.000 1.142 500 T CB -0.168 68.794 68.868 0.156 0.000 0.866 500 T HN 0.184 nan 8.240 nan 0.000 0.444 501 I N 1.013 121.625 120.570 0.070 0.000 2.179 501 I HA -0.190 3.980 4.170 -0.001 0.000 0.242 501 I C 2.690 178.809 176.117 0.003 0.000 1.088 501 I CA 1.197 62.517 61.300 0.032 0.000 1.357 501 I CB -0.556 37.454 38.000 0.016 0.000 1.051 501 I HN 0.251 nan 8.210 nan 0.000 0.409 502 T N 0.325 114.864 114.554 -0.025 0.000 2.777 502 T HA -0.116 4.233 4.350 -0.001 0.000 0.266 502 T C 2.020 176.666 174.700 -0.089 0.000 1.040 502 T CA 1.098 63.154 62.100 -0.075 0.000 1.141 502 T CB -0.256 68.538 68.868 -0.124 0.000 0.868 502 T HN 0.090 nan 8.240 nan 0.000 0.444 503 V N 1.721 121.592 119.914 -0.071 0.000 2.287 503 V HA -0.198 3.922 4.120 -0.001 0.000 0.248 503 V C 2.795 178.855 176.094 -0.056 0.000 1.053 503 V CA 1.563 63.790 62.300 -0.123 0.000 1.027 503 V CB -0.493 31.145 31.823 -0.307 0.000 0.646 503 V HN 0.333 nan 8.190 nan 0.000 0.447 504 R N -0.082 120.429 120.500 0.018 0.000 2.091 504 R HA -0.144 4.195 4.340 -0.001 0.000 0.238 504 R C 2.339 178.653 176.300 0.023 0.000 1.136 504 R CA 2.078 58.200 56.100 0.036 0.000 0.959 504 R CB -1.213 29.109 30.300 0.037 0.000 0.856 504 R HN 0.540 nan 8.270 nan 0.000 0.437 505 T N 1.883 116.436 114.554 -0.001 0.000 2.777 505 T HA -0.019 4.330 4.350 -0.001 0.000 0.266 505 T C 2.073 176.778 174.700 0.008 0.000 1.040 505 T CA 0.772 62.870 62.100 -0.004 0.000 1.141 505 T CB -0.141 68.718 68.868 -0.015 0.000 0.868 505 T HN 0.115 nan 8.240 nan 0.000 0.444 506 L N -0.007 121.200 121.223 -0.026 0.000 2.042 506 L HA -0.168 4.172 4.340 -0.001 0.000 0.210 506 L C 2.531 179.501 176.870 0.166 0.000 1.076 506 L CA 1.676 56.500 54.840 -0.026 0.000 0.749 506 L CB -0.546 41.316 42.059 -0.327 0.000 0.893 506 L HN 0.441 nan 8.230 nan 0.000 0.432 507 H N -0.849 118.230 119.070 0.014 0.000 2.357 507 H HA -0.209 4.346 4.556 -0.000 0.000 0.301 507 H C 2.447 177.762 175.328 -0.022 0.000 1.082 507 H CA 1.408 57.475 56.048 0.032 0.000 1.342 507 H CB 0.323 30.065 29.762 -0.034 0.000 1.389 507 H HN 0.316 nan 8.280 nan 0.000 0.511 508 Q N 0.574 120.410 119.800 0.060 0.000 2.061 508 Q HA -0.202 4.138 4.340 -0.001 0.000 0.204 508 Q C 1.992 177.936 176.000 -0.093 0.000 0.984 508 Q CA 1.961 57.735 55.803 -0.049 0.000 0.846 508 Q CB 0.107 28.821 28.738 -0.041 0.000 0.902 508 Q HN 0.611 nan 8.270 nan 0.000 0.421 509 E N 0.048 120.194 120.200 -0.090 0.000 2.072 509 E HA -0.193 4.157 4.350 -0.001 0.000 0.191 509 E C 2.089 178.238 176.600 -0.751 0.000 0.985 509 E CA 0.938 57.187 56.400 -0.252 0.000 0.801 509 E CB -0.135 29.522 29.700 -0.071 0.000 0.750 509 E HN 0.288 nan 8.360 nan 0.000 0.452 510 L N 0.843 121.769 121.223 -0.496 0.000 2.043 510 L HA -0.204 4.136 4.340 -0.001 0.000 0.212 510 L C 2.168 178.761 176.870 -0.463 0.000 1.075 510 L CA 1.720 56.175 54.840 -0.642 0.000 0.752 510 L CB -0.262 41.791 42.059 -0.010 0.000 0.891 510 L HN 0.137 nan 8.230 nan 0.000 0.432 511 M N -1.105 118.372 119.600 -0.205 0.000 2.358 511 M HA -0.154 4.326 4.480 -0.001 0.000 0.264 511 M C 1.940 178.174 176.300 -0.109 0.000 1.064 511 M CA 1.900 57.140 55.300 -0.099 0.000 1.093 511 M CB -0.714 31.837 32.600 -0.083 0.000 1.401 511 M HN 0.593 nan 8.290 nan 0.000 0.440 512 T N -1.796 112.642 114.554 -0.194 0.000 3.043 512 T HA 0.035 4.384 4.350 -0.001 0.000 0.263 512 T C 0.459 175.239 174.700 0.134 0.000 1.094 512 T CA -0.095 61.980 62.100 -0.043 0.000 1.127 512 T CB -0.275 68.582 68.868 -0.019 0.000 0.905 512 T HN -0.013 nan 8.240 nan 0.000 0.490 513 F N 1.890 121.866 119.950 0.044 0.000 2.529 513 F HA 0.605 5.132 4.527 -0.001 0.000 0.365 513 F C 1.725 177.564 175.800 0.064 0.000 1.102 513 F CA -1.574 56.459 58.000 0.054 0.000 1.271 513 F CB -0.046 39.006 39.000 0.087 0.000 1.120 513 F HN 0.178 nan 8.300 nan 0.000 0.579 514 A N 2.423 125.395 122.820 0.253 0.000 1.898 514 A HA -0.096 4.223 4.320 -0.001 0.000 0.216 514 A C 1.019 178.689 177.584 0.143 0.000 1.181 514 A CA 0.812 52.943 52.037 0.156 0.000 0.620 514 A CB -0.735 18.333 19.000 0.113 0.000 0.819 514 A HN 0.702 nan 8.150 nan 0.000 0.442 515 E N 1.606 121.904 120.200 0.165 0.000 2.373 515 E HA 0.141 4.491 4.350 -0.001 0.000 0.267 515 E C -0.923 175.729 176.600 0.085 0.000 1.032 515 E CA -0.390 56.068 56.400 0.097 0.000 0.889 515 E CB 0.454 30.194 29.700 0.065 0.000 0.984 515 E HN 0.466 nan 8.360 nan 0.000 0.425 516 E N 1.251 121.457 120.200 0.010 0.000 2.417 516 E HA 0.129 4.478 4.350 -0.001 0.000 0.261 516 E C -0.499 176.053 176.600 -0.080 0.000 1.000 516 E CA 0.412 56.808 56.400 -0.007 0.000 0.919 516 E CB 0.492 30.175 29.700 -0.029 0.000 0.955 516 E HN 0.640 nan 8.360 nan 0.000 0.455 517 S N 1.475 117.151 115.700 -0.039 0.000 2.615 517 S HA 0.573 5.042 4.470 -0.001 0.000 0.268 517 S C -0.564 173.962 174.600 -0.125 0.000 1.146 517 S CA -1.030 57.073 58.200 -0.163 0.000 0.818 517 S CB 1.854 64.954 63.200 -0.168 0.000 1.111 517 S HN 0.505 nan 8.310 nan 0.000 0.465 518 T N -1.324 113.080 114.554 -0.250 0.000 2.812 518 T HA 0.816 5.165 4.350 -0.001 0.000 0.294 518 T C -1.570 172.961 174.700 -0.282 0.000 1.159 518 T CA -0.756 61.189 62.100 -0.258 0.000 1.008 518 T CB 0.940 69.607 68.868 -0.335 0.000 1.289 518 T HN 0.524 nan 8.240 nan 0.000 0.514 519 F N 0.373 120.286 119.950 -0.062 0.000 2.508 519 F HA 0.753 5.279 4.527 -0.000 0.000 0.325 519 F C 0.331 176.109 175.800 -0.036 0.000 1.090 519 F CA -0.775 57.248 58.000 0.038 0.000 0.945 519 F CB 2.155 41.224 39.000 0.114 0.000 1.156 519 F HN 0.834 nan 8.300 nan 0.000 0.463 520 E N 3.935 124.309 120.200 0.290 0.000 2.313 520 E HA 0.480 4.830 4.350 -0.001 0.000 0.280 520 E C -1.894 174.850 176.600 0.241 0.000 0.898 520 E CA -0.432 56.041 56.400 0.122 0.000 0.803 520 E CB 1.522 31.221 29.700 -0.003 0.000 1.286 520 E HN 0.463 nan 8.360 nan 0.000 0.401 521 F N 1.020 120.936 119.950 -0.056 0.000 2.779 521 F HA 0.563 5.089 4.527 -0.001 0.000 0.316 521 F C -1.647 174.096 175.800 -0.096 0.000 1.164 521 F CA -1.261 56.697 58.000 -0.070 0.000 0.924 521 F CB 1.009 39.946 39.000 -0.104 0.000 1.348 521 F HN 0.251 nan 8.300 nan 0.000 0.467 522 R N 2.126 122.643 120.500 0.028 0.000 2.294 522 R HA 0.647 4.986 4.340 -0.001 0.000 0.319 522 R C -0.898 175.325 176.300 -0.128 0.000 0.984 522 R CA -0.648 55.386 56.100 -0.109 0.000 0.861 522 R CB 0.867 31.160 30.300 -0.012 0.000 1.104 522 R HN 0.812 nan 8.270 nan 0.000 0.451 523 L N 3.817 124.879 121.223 -0.268 0.000 2.474 523 L HA 0.066 4.405 4.340 -0.001 0.000 0.259 523 L C 1.212 177.953 176.870 -0.215 0.000 1.232 523 L CA -0.364 54.315 54.840 -0.268 0.000 0.821 523 L CB 0.146 42.067 42.059 -0.229 0.000 1.108 523 L HN 0.654 nan 8.230 nan 0.000 0.495 524 F N 0.179 119.967 119.950 -0.270 0.000 2.120 524 F HA -0.225 4.302 4.527 -0.000 0.000 0.300 524 F C 2.623 178.192 175.800 -0.385 0.000 1.095 524 F CA 1.790 59.471 58.000 -0.532 0.000 1.249 524 F CB -1.115 37.082 39.000 -1.338 0.000 0.995 524 F HN 0.645 nan 8.300 nan 0.000 0.480 525 T N -3.303 111.214 114.554 -0.061 0.000 3.169 525 T HA 0.469 4.818 4.350 -0.001 0.000 0.250 525 T C 1.676 176.410 174.700 0.058 0.000 1.111 525 T CA 0.541 62.684 62.100 0.072 0.000 1.010 525 T CB -0.011 68.919 68.868 0.103 0.000 0.984 525 T HN 0.513 nan 8.240 nan 0.000 0.537 526 G N 0.813 109.624 108.800 0.018 0.000 2.238 526 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.217 526 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.217 526 G C -0.197 174.696 174.900 -0.012 0.000 0.996 526 G CA -0.299 44.809 45.100 0.015 0.000 0.632 526 G HN 0.593 nan 8.290 nan 0.000 0.503 527 E N 0.165 120.350 120.200 -0.025 0.000 2.390 527 E HA 0.505 4.854 4.350 -0.001 0.000 0.261 527 E C 0.321 176.863 176.600 -0.097 0.000 1.076 527 E CA -0.240 56.139 56.400 -0.035 0.000 0.905 527 E CB 1.659 31.352 29.700 -0.012 0.000 0.984 527 E HN 0.199 nan 8.360 nan 0.000 0.427 528 V N 3.873 123.735 119.914 -0.087 0.000 2.385 528 V HA 0.215 4.335 4.120 -0.001 0.000 0.269 528 V C 0.112 176.096 176.094 -0.184 0.000 1.043 528 V CA -0.383 61.832 62.300 -0.142 0.000 0.906 528 V CB 0.522 32.304 31.823 -0.069 0.000 0.995 528 V HN 0.570 nan 8.190 nan 0.000 0.467 529 I N 5.374 125.714 120.570 -0.384 0.000 2.428 529 I HA 0.503 4.673 4.170 -0.001 0.000 0.296 529 I C -0.048 175.879 176.117 -0.317 0.000 0.985 529 I CA -0.374 60.706 61.300 -0.367 0.000 1.260 529 I CB 1.008 38.638 38.000 -0.617 0.000 1.389 529 I HN 0.582 nan 8.210 nan 0.000 0.484 530 K N 7.836 128.135 120.400 -0.168 0.000 2.426 530 K HA 0.551 4.871 4.320 -0.001 0.000 0.254 530 K C -1.844 174.587 176.600 -0.280 0.000 0.936 530 K CA -0.636 55.516 56.287 -0.225 0.000 0.801 530 K CB 1.354 33.730 32.500 -0.207 0.000 1.139 530 K HN 0.600 nan 8.250 nan 0.000 0.424 531 L N 4.920 125.917 121.223 -0.376 0.000 2.322 531 L HA 0.551 4.890 4.340 -0.001 0.000 0.281 531 L C -0.819 175.796 176.870 -0.425 0.000 1.014 531 L CA -0.909 53.697 54.840 -0.389 0.000 0.815 531 L CB 0.876 42.675 42.059 -0.434 0.000 1.247 531 L HN 0.515 nan 8.230 nan 0.000 0.421 532 F N 0.448 120.469 119.950 0.119 0.000 2.507 532 F HA 0.330 4.856 4.527 -0.001 0.000 0.327 532 F C 1.289 177.237 175.800 0.247 0.000 1.068 532 F CA -0.519 57.577 58.000 0.160 0.000 0.965 532 F CB 1.586 40.661 39.000 0.126 0.000 1.192 532 F HN 0.468 nan 8.300 nan 0.000 0.476 533 Q N 0.313 120.304 119.800 0.318 0.000 2.369 533 Q HA -0.129 4.210 4.340 -0.001 0.000 0.206 533 Q C 0.865 176.957 176.000 0.154 0.000 0.963 533 Q CA 1.137 57.055 55.803 0.193 0.000 0.894 533 Q CB -0.102 28.712 28.738 0.126 0.000 0.965 533 Q HN 0.656 nan 8.270 nan 0.000 0.475 534 D N -1.407 119.101 120.400 0.180 0.000 2.336 534 D HA 0.032 4.672 4.640 -0.001 0.000 0.229 534 D C 1.103 177.463 176.300 0.101 0.000 1.061 534 D CA 0.777 54.838 54.000 0.102 0.000 0.875 534 D CB 0.086 40.922 40.800 0.060 0.000 0.904 534 D HN 0.238 nan 8.370 nan 0.000 0.525 535 G N -0.012 108.880 108.800 0.154 0.000 2.195 535 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.246 535 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.246 535 G C 0.569 175.669 174.900 0.333 0.000 0.984 535 G CA 0.519 45.654 45.100 0.059 0.000 0.633 535 G HN 0.792 nan 8.290 nan 0.000 0.525 536 T N -0.586 114.189 114.554 0.368 0.000 2.816 536 T HA 0.757 5.107 4.350 -0.001 0.000 0.282 536 T C -0.101 175.006 174.700 0.679 0.000 0.993 536 T CA 0.256 62.564 62.100 0.347 0.000 0.994 536 T CB 1.736 70.631 68.868 0.044 0.000 1.025 536 T HN 1.609 nan 8.240 nan 0.000 0.529 537 F N -2.056 118.082 119.950 0.313 0.000 2.693 537 F HA 0.720 5.247 4.527 -0.001 0.000 0.309 537 F C -0.721 175.203 175.800 0.207 0.000 1.129 537 F CA -1.108 57.064 58.000 0.288 0.000 0.948 537 F CB 1.092 40.184 39.000 0.154 0.000 1.315 537 F HN 0.930 nan 8.300 nan 0.000 0.447 538 T N 0.276 114.992 114.554 0.269 0.000 2.906 538 T HA 0.815 5.164 4.350 -0.001 0.000 0.295 538 T C -1.415 173.389 174.700 0.174 0.000 1.061 538 T CA -0.730 61.460 62.100 0.149 0.000 1.000 538 T CB 2.092 71.067 68.868 0.179 0.000 1.103 538 T HN 0.723 nan 8.240 nan 0.000 0.486 539 I N 2.281 122.966 120.570 0.191 0.000 2.439 539 I HA 0.322 4.491 4.170 -0.001 0.000 0.285 539 I C -0.276 175.924 176.117 0.137 0.000 1.021 539 I CA -0.093 61.302 61.300 0.158 0.000 1.091 539 I CB 1.059 39.182 38.000 0.205 0.000 1.242 539 I HN 0.884 nan 8.210 nan 0.000 0.439 540 D N 5.549 125.991 120.400 0.070 0.000 2.701 540 D HA -0.204 4.436 4.640 -0.001 0.000 0.235 540 D C 1.294 177.653 176.300 0.098 0.000 1.155 540 D CA 1.481 55.518 54.000 0.062 0.000 0.649 540 D CB -0.738 40.089 40.800 0.045 0.000 1.050 540 D HN 1.134 nan 8.370 nan 0.000 0.425 541 G N -0.364 108.501 108.800 0.109 0.000 2.205 541 G HA2 -0.356 3.603 3.960 -0.001 0.000 0.261 541 G HA3 -0.356 3.603 3.960 -0.001 0.000 0.261 541 G C 0.148 175.129 174.900 0.136 0.000 0.980 541 G CA 0.265 45.432 45.100 0.112 0.000 0.632 541 G HN 0.527 nan 8.290 nan 0.000 0.533 542 F N 2.332 122.287 119.950 0.009 0.000 2.411 542 F HA 0.623 5.150 4.527 -0.000 0.000 0.355 542 F C 0.704 176.481 175.800 -0.039 0.000 1.117 542 F CA -1.079 56.913 58.000 -0.013 0.000 1.139 542 F CB 0.825 39.819 39.000 -0.010 0.000 1.120 542 F HN 0.071 nan 8.300 nan 0.000 0.493 543 K N 7.015 127.012 120.400 -0.673 0.000 2.412 543 K HA 0.175 4.495 4.320 -0.001 0.000 0.284 543 K C -0.819 175.329 176.600 -0.754 0.000 1.046 543 K CA -0.396 55.533 56.287 -0.597 0.000 0.999 543 K CB -0.052 32.149 32.500 -0.498 0.000 0.941 543 K HN 0.762 nan 8.250 nan 0.000 0.474 544 c N 6.794 125.080 118.600 -0.523 0.000 2.605 544 c HA 0.161 4.731 4.570 -0.001 0.000 0.404 544 c C -0.452 173.412 174.090 -0.377 0.000 1.284 544 c CA -1.402 54.685 56.329 -0.403 0.000 2.199 544 c CB 0.467 42.554 42.510 -0.705 0.000 2.647 544 c HN 0.791 nan 8.230 nan 0.000 0.604 545 P HA 0.074 nan 4.420 nan 0.000 0.224 545 P C 0.760 178.047 177.300 -0.022 0.000 1.157 545 P CA 0.822 63.875 63.100 -0.078 0.000 0.799 545 P CB 0.113 31.818 31.700 0.007 0.000 0.809 546 G N 0.216 109.051 108.800 0.059 0.000 2.667 546 G HA2 0.139 4.099 3.960 -0.001 0.000 0.250 546 G HA3 0.139 4.099 3.960 -0.001 0.000 0.250 546 G C 0.923 175.953 174.900 0.216 0.000 1.212 546 G CA -0.530 44.664 45.100 0.157 0.000 0.874 546 G HN 0.082 nan 8.290 nan 0.000 0.561 547 L N -0.356 120.978 121.223 0.186 0.000 2.027 547 L HA 0.051 4.390 4.340 -0.001 0.000 0.206 547 L C 1.215 178.268 176.870 0.305 0.000 1.074 547 L CA 1.153 56.102 54.840 0.181 0.000 0.745 547 L CB -0.214 41.897 42.059 0.088 0.000 0.898 547 L HN 0.436 nan 8.230 nan 0.000 0.433 548 V N -5.187 114.883 119.914 0.260 0.000 3.074 548 V HA 0.321 4.440 4.120 -0.001 0.000 0.314 548 V C -0.637 175.485 176.094 0.047 0.000 1.117 548 V CA -1.193 61.176 62.300 0.116 0.000 1.014 548 V CB 1.447 33.283 31.823 0.021 0.000 1.057 548 V HN 0.069 nan 8.190 nan 0.000 0.438 549 Y N 2.394 122.423 120.300 -0.451 0.000 2.442 549 Y HA 0.485 5.034 4.550 -0.001 0.000 0.330 549 Y C 1.171 177.016 175.900 -0.092 0.000 1.129 549 Y CA 0.880 58.718 58.100 -0.436 0.000 1.365 549 Y CB 1.356 39.442 38.460 -0.623 0.000 1.233 549 Y HN 0.978 nan 8.280 nan 0.000 0.529 550 T N 2.064 116.296 114.554 -0.538 0.000 3.337 550 T HA 0.585 4.935 4.350 -0.001 0.000 0.299 550 T C 0.153 174.516 174.700 -0.561 0.000 0.998 550 T CA -0.016 61.835 62.100 -0.416 0.000 0.948 550 T CB -0.554 68.225 68.868 -0.148 0.000 1.170 550 T HN 1.367 nan 8.240 nan 0.000 0.508 551 G N 0.256 108.299 108.800 -1.262 0.000 2.525 551 G HA2 0.049 4.009 3.960 -0.001 0.000 0.685 551 G HA3 0.049 4.009 3.960 -0.001 0.000 0.685 551 G C 0.197 174.931 174.900 -0.276 0.000 1.285 551 G CA -0.488 44.224 45.100 -0.647 0.000 0.849 551 G HN 0.230 nan 8.290 nan 0.000 0.653 552 V N 1.001 120.936 119.914 0.035 0.000 2.324 552 V HA -0.178 3.942 4.120 -0.001 0.000 0.250 552 V C 2.723 178.853 176.094 0.060 0.000 1.060 552 V CA 2.791 65.165 62.300 0.124 0.000 1.042 552 V CB -0.402 31.491 31.823 0.117 0.000 0.650 552 V HN 0.763 nan 8.190 nan 0.000 0.450 553 E N 0.223 120.437 120.200 0.022 0.000 2.204 553 E HA -0.140 4.209 4.350 -0.001 0.000 0.195 553 E C 1.786 178.394 176.600 0.014 0.000 0.990 553 E CA 0.773 57.181 56.400 0.014 0.000 0.821 553 E CB -0.504 29.203 29.700 0.010 0.000 0.750 553 E HN 0.609 nan 8.360 nan 0.000 0.477 554 N N -0.226 118.479 118.700 0.009 0.000 2.398 554 N HA -0.051 4.688 4.740 -0.001 0.000 0.188 554 N C 0.101 175.666 175.510 0.090 0.000 1.122 554 N CA 0.136 53.206 53.050 0.033 0.000 0.866 554 N CB 0.035 38.526 38.487 0.007 0.000 0.970 554 N HN 0.037 nan 8.380 nan 0.000 0.462 555 c N 1.755 120.430 118.600 0.124 0.000 2.225 555 c HA 0.614 5.184 4.570 -0.001 0.000 0.437 555 c C 0.240 174.427 174.090 0.162 0.000 1.039 555 c CA -0.283 56.172 56.329 0.209 0.000 1.406 555 c CB -1.970 40.716 42.510 0.293 0.000 1.548 555 c HN -0.030 nan 8.230 nan 0.000 0.515 556 V N 0.000 120.009 119.914 0.159 0.000 2.409 556 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 556 V CA 0.000 62.279 62.300 -0.034 0.000 1.235 556 V CB 0.000 31.786 31.823 -0.062 0.000 1.184 556 V HN 0.000 nan 8.190 nan 0.000 0.556