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 3k1a_1_D DATA FIRST_RESID 2 DATA SEQUENCE SQQVDKIKAS YPLFLDQDYK DMLAKKRDGF EEKYPQDKID EVFQWTTTKE DATA SEQUENCE YQELNFQREA LTVNPAKACQ PLGAVLCALG FEKTMPYVHG SQGCVAYFRS DATA SEQUENCE YFNRHFREPV SCVSDSMTED AAVFGGQQNM KDGLQNCKAT YKPDMIAVST DATA SEQUENCE TCMAEVIGDD LNAFINNSKK EGFIPDEFPV PFAHTPSFVG SHVTGWDNMF DATA SEQUENCE EGIARYFTLK SMDDKVVGSN KKINIVPGFE TYLGNFRVIK RMLSEMGVGY DATA SEQUENCE SLLSDPEEVL DTPADGQFRM YAGGTTQEEM KDAPNALNTV LLQPWHLEKT DATA SEQUENCE KKFVEGTWKH EVPKLNIPMG LDWTDEFLMK VSEISGQPIP ASLTKERGRL DATA SEQUENCE VDMMTDSHTW LHGKRFALWG DPDFVMGLVK FLLELGCEPV HILCHNGNKR DATA SEQUENCE WKKAVDAILA ASPYGKNATV YIGKDLWHLR SLVFTDKPDF MIGNSYGKFI DATA SEQUENCE QRDTLHKGKE FEVPLIRIGF PIFDRHHLHR STTLGYEGAM QILTTLVNSI DATA SEQUENCE LERLDEETRG MQATDYNHDL VR 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 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.623 174.600 0.039 0.000 1.055 2 S CA 0.000 58.224 58.200 0.040 0.000 1.107 2 S CB 0.000 63.208 63.200 0.012 0.000 0.593 3 Q N 1.223 121.032 119.800 0.015 0.000 2.315 3 Q HA 0.386 4.733 4.340 0.012 0.000 0.273 3 Q C -1.482 174.514 176.000 -0.006 0.000 1.053 3 Q CA -0.503 55.299 55.803 -0.002 0.000 0.817 3 Q CB 2.336 31.071 28.738 -0.005 0.000 1.326 3 Q HN 0.653 nan 8.270 nan 0.000 0.423 4 Q N 1.344 121.136 119.800 -0.014 0.000 2.322 4 Q HA 0.171 4.518 4.340 0.012 0.000 0.256 4 Q C 1.049 177.040 176.000 -0.014 0.000 0.960 4 Q CA -0.204 55.591 55.803 -0.013 0.000 0.934 4 Q CB 1.982 30.710 28.738 -0.016 0.000 1.200 4 Q HN 0.469 nan 8.270 nan 0.000 0.435 5 V N 3.387 123.295 119.914 -0.010 0.000 2.469 5 V HA -0.247 3.880 4.120 0.012 0.000 0.251 5 V C 0.848 176.936 176.094 -0.010 0.000 1.064 5 V CA 2.118 64.413 62.300 -0.009 0.000 1.066 5 V CB 0.051 31.871 31.823 -0.005 0.000 0.667 5 V HN 0.802 nan 8.190 nan 0.000 0.461 6 D N 0.236 120.629 120.400 -0.011 0.000 2.349 6 D HA 0.049 4.696 4.640 0.012 0.000 0.215 6 D C 0.742 177.033 176.300 -0.015 0.000 1.016 6 D CA 0.442 54.436 54.000 -0.011 0.000 0.870 6 D CB 0.090 40.885 40.800 -0.008 0.000 0.917 6 D HN 0.711 nan 8.370 nan 0.000 0.524 7 K N 0.709 121.097 120.400 -0.020 0.000 2.895 7 K HA 0.268 4.595 4.320 0.012 0.000 0.191 7 K C -0.501 176.076 176.600 -0.038 0.000 1.117 7 K CA -0.552 55.719 56.287 -0.028 0.000 0.988 7 K CB 0.960 33.442 32.500 -0.030 0.000 1.181 7 K HN -0.268 nan 8.250 nan 0.000 0.598 8 I N 2.583 123.132 120.570 -0.036 0.000 2.618 8 I HA 0.044 4.221 4.170 0.012 0.000 0.284 8 I C 0.229 176.306 176.117 -0.068 0.000 1.146 8 I CA 0.082 61.355 61.300 -0.045 0.000 1.425 8 I CB 0.345 38.325 38.000 -0.034 0.000 1.383 8 I HN 0.535 nan 8.210 nan 0.000 0.562 9 K N 5.545 125.887 120.400 -0.097 0.000 2.234 9 K HA 0.585 4.912 4.320 0.012 0.000 0.277 9 K C 0.072 176.571 176.600 -0.168 0.000 1.038 9 K CA -0.487 55.712 56.287 -0.147 0.000 0.888 9 K CB 1.722 34.105 32.500 -0.195 0.000 1.091 9 K HN 0.719 nan 8.250 nan 0.000 0.467 10 A N 1.798 124.536 122.820 -0.138 0.000 2.292 10 A HA 0.094 4.421 4.320 0.012 0.000 0.265 10 A C 1.588 179.043 177.584 -0.216 0.000 1.133 10 A CA 0.277 52.239 52.037 -0.124 0.000 0.807 10 A CB 0.082 19.059 19.000 -0.038 0.000 1.102 10 A HN 0.893 nan 8.150 nan 0.000 0.502 11 S N -0.884 114.720 115.700 -0.159 0.000 2.393 11 S HA -0.274 4.203 4.470 0.012 0.000 0.235 11 S C 0.731 175.244 174.600 -0.144 0.000 1.061 11 S CA 2.004 60.092 58.200 -0.187 0.000 1.129 11 S CB -0.847 62.474 63.200 0.202 0.000 1.011 11 S HN 1.013 nan 8.310 nan 0.000 0.436 12 Y N 4.902 125.158 120.300 -0.073 0.000 2.326 12 Y HA 0.509 5.064 4.550 0.009 0.000 0.337 12 Y C -2.285 173.565 175.900 -0.083 0.000 1.023 12 Y CA -2.478 55.590 58.100 -0.052 0.000 1.143 12 Y CB 1.738 40.201 38.460 0.006 0.000 1.183 12 Y HN 0.072 nan 8.280 nan 0.000 0.485 13 P HA 0.004 nan 4.420 nan 0.000 0.263 13 P C 1.142 178.194 177.300 -0.413 0.000 1.448 13 P CA 0.100 62.681 63.100 -0.864 0.000 0.983 13 P CB 0.338 31.490 31.700 -0.913 0.000 1.481 14 L N 0.306 121.257 121.223 -0.454 0.000 1.997 14 L HA -0.168 4.179 4.340 0.012 0.000 0.216 14 L C 1.594 178.162 176.870 -0.503 0.000 1.074 14 L CA 2.210 56.719 54.840 -0.552 0.000 0.763 14 L CB -1.445 40.066 42.059 -0.914 0.000 0.890 14 L HN -0.141 nan 8.230 nan 0.000 0.434 15 F N -0.876 118.928 119.950 -0.244 0.000 2.802 15 F HA 0.083 4.616 4.527 0.010 0.000 0.300 15 F C 1.849 177.641 175.800 -0.012 0.000 1.168 15 F CA 0.184 58.042 58.000 -0.236 0.000 1.433 15 F CB -0.763 38.100 39.000 -0.228 0.000 1.115 15 F HN 0.066 nan 8.300 nan 0.000 0.582 16 L N -1.187 120.096 121.223 0.100 0.000 2.509 16 L HA 0.036 4.383 4.340 0.012 0.000 0.222 16 L C 0.329 177.260 176.870 0.102 0.000 1.123 16 L CA 0.040 54.940 54.840 0.100 0.000 0.856 16 L CB -0.499 41.585 42.059 0.042 0.000 0.985 16 L HN -0.122 nan 8.230 nan 0.000 0.456 17 D N 0.610 121.083 120.400 0.121 0.000 2.449 17 D HA -0.087 4.560 4.640 0.012 0.000 0.236 17 D C 1.016 177.413 176.300 0.162 0.000 1.149 17 D CA 0.327 54.412 54.000 0.141 0.000 0.878 17 D CB 1.011 41.934 40.800 0.205 0.000 1.198 17 D HN -0.040 nan 8.370 nan 0.000 0.446 18 Q N 1.794 121.651 119.800 0.095 0.000 2.061 18 Q HA -0.209 4.138 4.340 0.012 0.000 0.204 18 Q C 1.233 177.274 176.000 0.067 0.000 0.984 18 Q CA 2.135 57.981 55.803 0.072 0.000 0.846 18 Q CB -0.094 28.668 28.738 0.040 0.000 0.902 18 Q HN 0.610 nan 8.270 nan 0.000 0.421 19 D N -1.349 119.070 120.400 0.031 0.000 2.144 19 D HA -0.209 4.438 4.640 0.012 0.000 0.199 19 D C 1.469 177.739 176.300 -0.049 0.000 0.984 19 D CA 1.340 55.314 54.000 -0.043 0.000 0.834 19 D CB -0.866 39.860 40.800 -0.123 0.000 0.955 19 D HN 0.394 nan 8.370 nan 0.000 0.465 20 Y N 0.896 121.250 120.300 0.090 0.000 2.200 20 Y HA -0.005 4.550 4.550 0.008 0.000 0.290 20 Y C 2.616 178.574 175.900 0.097 0.000 1.137 20 Y CA 1.118 59.297 58.100 0.131 0.000 1.163 20 Y CB -0.316 38.295 38.460 0.252 0.000 0.988 20 Y HN -0.048 nan 8.280 nan 0.000 0.518 21 K N 0.290 120.834 120.400 0.240 0.000 2.026 21 K HA -0.199 4.128 4.320 0.012 0.000 0.208 21 K C 1.465 178.125 176.600 0.101 0.000 1.048 21 K CA 2.026 58.404 56.287 0.152 0.000 0.929 21 K CB -0.156 32.415 32.500 0.119 0.000 0.713 21 K HN 0.174 nan 8.250 nan 0.000 0.439 22 D N 0.542 120.988 120.400 0.077 0.000 2.144 22 D HA -0.205 4.442 4.640 0.012 0.000 0.199 22 D C 1.801 178.129 176.300 0.047 0.000 0.984 22 D CA 1.124 55.152 54.000 0.047 0.000 0.834 22 D CB -0.126 40.690 40.800 0.027 0.000 0.955 22 D HN 0.335 nan 8.370 nan 0.000 0.465 23 M N 0.023 119.657 119.600 0.056 0.000 2.117 23 M HA -0.132 4.355 4.480 0.012 0.000 0.262 23 M C 1.812 178.158 176.300 0.078 0.000 1.065 23 M CA 1.262 56.598 55.300 0.059 0.000 1.114 23 M CB 0.023 32.655 32.600 0.054 0.000 1.361 23 M HN -0.021 nan 8.290 nan 0.000 0.408 24 L N -0.067 121.210 121.223 0.090 0.000 2.240 24 L HA -0.043 4.304 4.340 0.012 0.000 0.211 24 L C 2.689 179.591 176.870 0.054 0.000 1.106 24 L CA 0.704 55.586 54.840 0.070 0.000 0.793 24 L CB -0.737 41.361 42.059 0.066 0.000 0.927 24 L HN 0.367 nan 8.230 nan 0.000 0.446 25 A N 0.043 122.892 122.820 0.049 0.000 1.930 25 A HA -0.215 4.111 4.320 0.012 0.000 0.217 25 A C 2.364 179.957 177.584 0.014 0.000 1.175 25 A CA 1.617 53.671 52.037 0.029 0.000 0.627 25 A CB -0.272 18.744 19.000 0.026 0.000 0.815 25 A HN 0.266 nan 8.150 nan 0.000 0.443 26 K N -0.087 120.329 120.400 0.025 0.000 2.057 26 K HA -0.131 4.196 4.320 0.012 0.000 0.206 26 K C 2.172 178.791 176.600 0.032 0.000 1.050 26 K CA 1.605 57.900 56.287 0.013 0.000 0.935 26 K CB -0.152 32.372 32.500 0.040 0.000 0.715 26 K HN 0.439 nan 8.250 nan 0.000 0.439 27 K N 0.845 121.311 120.400 0.110 0.000 2.032 27 K HA -0.220 4.107 4.320 0.012 0.000 0.209 27 K C 2.297 178.982 176.600 0.142 0.000 1.048 27 K CA 1.420 57.836 56.287 0.214 0.000 0.927 27 K CB -0.131 32.459 32.500 0.150 0.000 0.712 27 K HN 0.033 nan 8.250 nan 0.000 0.441 28 R N 0.709 121.241 120.500 0.053 0.000 2.070 28 R HA -0.150 4.197 4.340 0.012 0.000 0.232 28 R C 1.475 177.748 176.300 -0.045 0.000 1.138 28 R CA 2.183 58.294 56.100 0.018 0.000 0.936 28 R CB -0.495 29.813 30.300 0.013 0.000 0.839 28 R HN 0.275 nan 8.270 nan 0.000 0.429 29 D N -0.549 119.804 120.400 -0.079 0.000 2.178 29 D HA -0.100 4.547 4.640 0.012 0.000 0.201 29 D C 1.699 177.847 176.300 -0.254 0.000 0.980 29 D CA 1.556 55.479 54.000 -0.128 0.000 0.842 29 D CB -0.369 40.368 40.800 -0.104 0.000 0.948 29 D HN 0.555 nan 8.370 nan 0.000 0.472 30 G N -0.978 107.557 108.800 -0.442 0.000 2.408 30 G HA2 -0.102 3.865 3.960 0.012 0.000 0.215 30 G HA3 -0.102 3.865 3.960 0.012 0.000 0.215 30 G C 0.921 175.156 174.900 -1.109 0.000 1.156 30 G CA 0.305 44.782 45.100 -1.039 0.000 0.793 30 G HN 0.242 nan 8.290 nan 0.000 0.535 31 F N -0.887 119.052 119.950 -0.020 0.000 2.925 31 F HA 0.356 4.894 4.527 0.019 0.000 0.359 31 F C 1.966 177.749 175.800 -0.027 0.000 1.038 31 F CA -0.489 57.498 58.000 -0.022 0.000 1.130 31 F CB 0.476 39.465 39.000 -0.018 0.000 1.093 31 F HN 0.049 nan 8.300 nan 0.000 0.561 32 E N 0.928 121.184 120.200 0.095 0.000 2.385 32 E HA -0.021 4.336 4.350 0.012 0.000 0.194 32 E C -0.037 176.559 176.600 -0.007 0.000 1.013 32 E CA 0.402 56.832 56.400 0.050 0.000 0.866 32 E CB -0.036 29.688 29.700 0.040 0.000 0.832 32 E HN 0.286 nan 8.360 nan 0.000 0.500 33 E N 1.349 121.524 120.200 -0.041 0.000 2.228 33 E HA -0.233 4.124 4.350 0.012 0.000 0.213 33 E C -0.224 176.288 176.600 -0.146 0.000 1.282 33 E CA 0.382 56.726 56.400 -0.095 0.000 0.707 33 E CB -1.150 28.496 29.700 -0.090 0.000 1.150 33 E HN 0.152 nan 8.360 nan 0.000 0.362 34 K N 0.960 121.301 120.400 -0.098 0.000 2.144 34 K HA 0.224 4.551 4.320 0.012 0.000 0.270 34 K C -0.256 176.291 176.600 -0.088 0.000 1.005 34 K CA -0.448 55.803 56.287 -0.061 0.000 0.932 34 K CB 0.530 33.034 32.500 0.006 0.000 1.021 34 K HN -0.015 nan 8.250 nan 0.000 0.462 35 Y N 3.368 123.671 120.300 0.006 0.000 2.597 35 Y HA 0.014 4.568 4.550 0.006 0.000 0.336 35 Y C -1.494 174.410 175.900 0.007 0.000 1.216 35 Y CA -1.221 56.883 58.100 0.006 0.000 1.463 35 Y CB -0.067 38.401 38.460 0.013 0.000 1.303 35 Y HN 0.554 nan 8.280 nan 0.000 0.576 36 P HA -0.076 nan 4.420 nan 0.000 0.267 36 P C 0.043 177.402 177.300 0.099 0.000 1.200 36 P CA -0.102 63.055 63.100 0.095 0.000 0.772 36 P CB 0.970 32.714 31.700 0.072 0.000 0.855 37 Q N 2.529 122.370 119.800 0.068 0.000 2.096 37 Q HA -0.224 4.122 4.340 0.012 0.000 0.204 37 Q C 1.486 177.522 176.000 0.060 0.000 0.982 37 Q CA 2.359 58.200 55.803 0.062 0.000 0.850 37 Q CB -0.767 27.999 28.738 0.047 0.000 0.901 37 Q HN 0.530 nan 8.270 nan 0.000 0.422 38 D N -0.468 119.962 120.400 0.051 0.000 2.133 38 D HA -0.238 4.409 4.640 0.012 0.000 0.195 38 D C 1.637 177.963 176.300 0.044 0.000 0.997 38 D CA 1.619 55.645 54.000 0.042 0.000 0.840 38 D CB -0.328 40.491 40.800 0.032 0.000 0.947 38 D HN 0.187 nan 8.370 nan 0.000 0.452 39 K N 1.076 121.508 120.400 0.053 0.000 2.097 39 K HA -0.018 4.309 4.320 0.012 0.000 0.205 39 K C 2.309 178.923 176.600 0.024 0.000 1.050 39 K CA 0.657 56.964 56.287 0.034 0.000 0.938 39 K CB -0.441 32.097 32.500 0.064 0.000 0.718 39 K HN 0.225 nan 8.250 nan 0.000 0.442 40 I N 0.908 121.512 120.570 0.057 0.000 2.226 40 I HA -0.272 3.905 4.170 0.012 0.000 0.245 40 I C 1.535 177.724 176.117 0.120 0.000 1.100 40 I CA 1.364 62.707 61.300 0.072 0.000 1.374 40 I CB -0.352 37.697 38.000 0.083 0.000 1.057 40 I HN 0.199 nan 8.210 nan 0.000 0.413 41 D N 0.630 121.094 120.400 0.106 0.000 2.104 41 D HA -0.242 4.405 4.640 0.012 0.000 0.194 41 D C 1.981 178.367 176.300 0.143 0.000 0.994 41 D CA 1.292 55.368 54.000 0.128 0.000 0.830 41 D CB -0.337 40.504 40.800 0.068 0.000 0.959 41 D HN 0.420 nan 8.370 nan 0.000 0.452 42 E N 0.581 120.829 120.200 0.081 0.000 2.070 42 E HA -0.166 4.191 4.350 0.012 0.000 0.197 42 E C 2.096 178.744 176.600 0.080 0.000 1.004 42 E CA 1.066 57.498 56.400 0.053 0.000 0.805 42 E CB 0.129 29.834 29.700 0.008 0.000 0.744 42 E HN 0.024 nan 8.360 nan 0.000 0.451 43 V N 0.780 120.747 119.914 0.088 0.000 2.358 43 V HA -0.204 3.923 4.120 0.012 0.000 0.246 43 V C 2.094 178.284 176.094 0.161 0.000 1.047 43 V CA 1.799 64.188 62.300 0.148 0.000 1.035 43 V CB -0.690 31.185 31.823 0.087 0.000 0.658 43 V HN 0.357 nan 8.190 nan 0.000 0.452 44 F N 1.203 121.161 119.950 0.013 0.000 2.069 44 F HA -0.277 4.260 4.527 0.017 0.000 0.298 44 F C 2.526 178.219 175.800 -0.179 0.000 1.113 44 F CA 2.388 60.357 58.000 -0.051 0.000 1.214 44 F CB -0.379 38.650 39.000 0.048 0.000 0.978 44 F HN 0.111 nan 8.300 nan 0.000 0.474 45 Q N -0.228 119.504 119.800 -0.113 0.000 2.096 45 Q HA -0.259 4.088 4.340 0.012 0.000 0.204 45 Q C 1.918 177.723 176.000 -0.325 0.000 0.982 45 Q CA 2.291 57.926 55.803 -0.280 0.000 0.850 45 Q CB -1.069 27.632 28.738 -0.063 0.000 0.901 45 Q HN 0.670 nan 8.270 nan 0.000 0.422 46 W N 0.549 121.648 121.300 -0.335 0.000 2.363 46 W HA -0.165 4.501 4.660 0.009 0.000 0.296 46 W C 2.012 178.225 176.519 -0.509 0.000 1.212 46 W CA 2.728 59.895 57.345 -0.296 0.000 1.260 46 W CB -0.774 28.591 29.460 -0.158 0.000 1.131 46 W HN 0.304 nan 8.180 nan 0.000 0.530 47 T N -2.764 111.234 114.554 -0.927 0.000 3.007 47 T HA -0.185 4.172 4.350 0.012 0.000 0.270 47 T C 1.592 175.498 174.700 -1.324 0.000 1.107 47 T CA 1.808 62.885 62.100 -1.704 0.000 1.118 47 T CB -1.090 67.044 68.868 -1.224 0.000 0.889 47 T HN 0.283 nan 8.240 nan 0.000 0.506 48 T N 0.205 114.041 114.554 -1.197 0.000 3.100 48 T HA 0.135 4.492 4.350 0.012 0.000 0.253 48 T C 0.992 175.309 174.700 -0.638 0.000 1.118 48 T CA 0.270 61.612 62.100 -1.262 0.000 1.058 48 T CB -0.701 67.208 68.868 -1.598 0.000 0.953 48 T HN 0.651 nan 8.240 nan 0.000 0.515 49 T N 0.070 114.326 114.554 -0.497 0.000 2.874 49 T HA 0.361 4.718 4.350 0.012 0.000 0.281 49 T C 1.137 175.736 174.700 -0.169 0.000 0.994 49 T CA -0.649 61.289 62.100 -0.269 0.000 1.015 49 T CB 1.635 70.395 68.868 -0.180 0.000 1.028 49 T HN 0.364 nan 8.240 nan 0.000 0.523 50 K N 0.387 120.727 120.400 -0.099 0.000 2.283 50 K HA -0.082 4.245 4.320 0.012 0.000 0.202 50 K C 1.585 178.157 176.600 -0.047 0.000 1.048 50 K CA 0.897 57.143 56.287 -0.067 0.000 0.948 50 K CB -0.041 32.430 32.500 -0.049 0.000 0.742 50 K HN 0.596 nan 8.250 nan 0.000 0.458 51 E N 1.047 121.233 120.200 -0.023 0.000 2.028 51 E HA -0.240 4.117 4.350 0.012 0.000 0.191 51 E C 2.038 178.633 176.600 -0.007 0.000 0.988 51 E CA 1.305 57.729 56.400 0.039 0.000 0.799 51 E CB -0.972 28.824 29.700 0.161 0.000 0.755 51 E HN 0.475 nan 8.360 nan 0.000 0.447 52 Y N 2.114 122.205 120.300 -0.348 0.000 2.207 52 Y HA -0.272 4.287 4.550 0.014 0.000 0.287 52 Y C 2.698 178.432 175.900 -0.277 0.000 1.156 52 Y CA 2.414 60.158 58.100 -0.593 0.000 1.182 52 Y CB -0.112 37.698 38.460 -1.083 0.000 0.979 52 Y HN 0.112 nan 8.280 nan 0.000 0.521 53 Q N 0.105 119.865 119.800 -0.067 0.000 2.124 53 Q HA -0.236 4.111 4.340 0.012 0.000 0.202 53 Q C 1.918 177.958 176.000 0.066 0.000 0.977 53 Q CA 2.000 57.818 55.803 0.024 0.000 0.850 53 Q CB -0.121 28.612 28.738 -0.008 0.000 0.901 53 Q HN 0.640 nan 8.270 nan 0.000 0.429 54 E N 0.298 120.490 120.200 -0.013 0.000 2.077 54 E HA -0.185 4.172 4.350 0.012 0.000 0.193 54 E C 2.089 178.711 176.600 0.036 0.000 0.989 54 E CA 1.390 57.797 56.400 0.013 0.000 0.800 54 E CB -0.072 29.627 29.700 -0.001 0.000 0.746 54 E HN 0.391 nan 8.360 nan 0.000 0.452 55 L N 1.002 122.202 121.223 -0.038 0.000 2.056 55 L HA -0.176 4.171 4.340 0.012 0.000 0.207 55 L C 2.431 179.243 176.870 -0.098 0.000 1.078 55 L CA 0.835 55.633 54.840 -0.069 0.000 0.749 55 L CB -0.554 41.433 42.059 -0.120 0.000 0.901 55 L HN 0.164 nan 8.230 nan 0.000 0.433 56 N N 0.608 119.191 118.700 -0.195 0.000 2.104 56 N HA -0.225 4.522 4.740 0.012 0.000 0.190 56 N C 1.627 177.205 175.510 0.113 0.000 1.024 56 N CA 1.790 54.764 53.050 -0.127 0.000 0.853 56 N CB -0.218 38.184 38.487 -0.141 0.000 1.008 56 N HN 0.171 nan 8.380 nan 0.000 0.424 57 F N 0.741 120.725 119.950 0.057 0.000 2.710 57 F HA 0.176 4.709 4.527 0.011 0.000 0.298 57 F C 2.212 178.032 175.800 0.033 0.000 1.137 57 F CA 0.366 58.395 58.000 0.048 0.000 1.444 57 F CB -0.026 38.942 39.000 -0.054 0.000 1.111 57 F HN 0.131 nan 8.300 nan 0.000 0.580 58 Q N -0.226 119.671 119.800 0.162 0.000 2.435 58 Q HA -0.002 4.345 4.340 0.012 0.000 0.207 58 Q C 0.528 176.567 176.000 0.066 0.000 0.956 58 Q CA 0.129 55.987 55.803 0.093 0.000 0.917 58 Q CB 0.061 28.835 28.738 0.061 0.000 0.997 58 Q HN 0.221 nan 8.270 nan 0.000 0.497 59 R N 1.374 121.915 120.500 0.068 0.000 2.537 59 R HA -0.099 4.248 4.340 0.012 0.000 0.281 59 R C 0.836 177.165 176.300 0.048 0.000 0.988 59 R CA 0.743 56.867 56.100 0.040 0.000 1.077 59 R CB 0.233 30.545 30.300 0.020 0.000 0.932 59 R HN 0.407 nan 8.270 nan 0.000 0.409 60 E N 2.058 122.276 120.200 0.030 0.000 2.571 60 E HA 0.125 4.482 4.350 0.012 0.000 0.222 60 E C 0.638 177.252 176.600 0.024 0.000 0.904 60 E CA 0.197 56.617 56.400 0.032 0.000 1.157 60 E CB 0.686 30.405 29.700 0.031 0.000 1.158 60 E HN 0.529 nan 8.360 nan 0.000 0.540 61 A N 0.967 123.792 122.820 0.009 0.000 1.999 61 A HA 0.301 4.628 4.320 0.012 0.000 0.200 61 A C 0.695 178.271 177.584 -0.013 0.000 1.363 61 A CA -0.157 51.880 52.037 -0.000 0.000 0.844 61 A CB 0.212 19.208 19.000 -0.007 0.000 0.954 61 A HN 0.190 nan 8.150 nan 0.000 0.481 62 L N 1.656 122.860 121.223 -0.032 0.000 2.305 62 L HA 0.529 4.876 4.340 0.012 0.000 0.281 62 L C -0.713 176.114 176.870 -0.071 0.000 1.085 62 L CA 0.648 55.450 54.840 -0.063 0.000 0.813 62 L CB 1.103 43.106 42.059 -0.093 0.000 1.157 62 L HN 0.120 nan 8.230 nan 0.000 0.436 63 T N 4.783 119.295 114.554 -0.070 0.000 2.797 63 T HA 0.642 4.999 4.350 0.012 0.000 0.279 63 T C -0.876 173.747 174.700 -0.129 0.000 0.991 63 T CA -0.383 61.679 62.100 -0.064 0.000 0.979 63 T CB 1.330 70.216 68.868 0.030 0.000 0.943 63 T HN 0.370 nan 8.240 nan 0.000 0.444 64 V N 4.716 124.524 119.914 -0.177 0.000 2.443 64 V HA 0.405 4.532 4.120 0.012 0.000 0.293 64 V C -0.352 175.658 176.094 -0.140 0.000 1.021 64 V CA -1.178 60.983 62.300 -0.231 0.000 0.848 64 V CB 1.322 32.889 31.823 -0.427 0.000 0.998 64 V HN 0.986 nan 8.190 nan 0.000 0.424 65 N N 3.029 121.642 118.700 -0.146 0.000 2.681 65 N HA -0.108 4.639 4.740 0.012 0.000 0.259 65 N C -2.389 173.045 175.510 -0.127 0.000 1.066 65 N CA 0.359 53.328 53.050 -0.135 0.000 0.717 65 N CB -0.870 37.595 38.487 -0.036 0.000 0.885 65 N HN 0.494 nan 8.380 nan 0.000 0.547 66 P HA 0.161 nan 4.420 nan 0.000 0.269 66 P C -0.176 177.159 177.300 0.057 0.000 1.209 66 P CA -0.120 63.043 63.100 0.105 0.000 0.776 66 P CB 0.706 32.458 31.700 0.087 0.000 0.876 67 A N 3.090 126.081 122.820 0.285 0.000 3.264 67 A HA 0.363 4.690 4.320 0.012 0.000 0.299 67 A C 0.382 178.108 177.584 0.237 0.000 1.272 67 A CA -0.142 52.036 52.037 0.234 0.000 1.030 67 A CB -0.744 18.403 19.000 0.245 0.000 1.102 67 A HN 0.610 nan 8.150 nan 0.000 0.615 68 K N -1.764 118.703 120.400 0.110 0.000 2.597 68 K HA 0.794 5.121 4.320 0.012 0.000 0.282 68 K C -0.673 175.933 176.600 0.011 0.000 0.975 68 K CA -0.515 55.831 56.287 0.097 0.000 0.867 68 K CB 1.049 33.531 32.500 -0.030 0.000 1.465 68 K HN 0.378 nan 8.250 nan 0.000 0.417 69 A N 0.269 123.128 122.820 0.065 0.000 2.464 69 A HA 0.817 5.144 4.320 0.012 0.000 0.268 69 A C -0.499 177.137 177.584 0.086 0.000 1.244 69 A CA -0.419 51.599 52.037 -0.033 0.000 0.871 69 A CB 0.700 19.581 19.000 -0.198 0.000 1.400 69 A HN 1.152 nan 8.150 nan 0.000 0.455 70 C N -1.542 117.784 119.300 0.044 0.000 2.358 70 C HA 0.571 5.038 4.460 0.012 0.000 0.354 70 C C 1.408 176.418 174.990 0.034 0.000 1.183 70 C CA -0.388 58.657 59.018 0.046 0.000 2.150 70 C CB 0.715 28.498 27.740 0.070 0.000 2.361 70 C HN 0.935 nan 8.230 nan 0.000 0.535 71 Q N 1.607 121.404 119.800 -0.005 0.000 2.047 71 Q HA -0.160 4.187 4.340 0.012 0.000 0.211 71 Q C -0.345 175.634 176.000 -0.035 0.000 1.005 71 Q CA 2.701 58.494 55.803 -0.017 0.000 0.866 71 Q CB -1.382 27.329 28.738 -0.045 0.000 0.938 71 Q HN 0.739 nan 8.270 nan 0.000 0.414 72 P HA -0.174 nan 4.420 nan 0.000 0.220 72 P C 1.433 178.417 177.300 -0.527 0.000 1.144 72 P CA 0.921 63.862 63.100 -0.265 0.000 0.800 72 P CB -0.128 31.438 31.700 -0.224 0.000 0.772 73 L N 0.578 121.494 121.223 -0.512 0.000 1.989 73 L HA -0.074 4.273 4.340 0.012 0.000 0.211 73 L C 2.574 179.654 176.870 0.350 0.000 1.071 73 L CA 2.561 57.295 54.840 -0.177 0.000 0.749 73 L CB -1.621 40.455 42.059 0.029 0.000 0.890 73 L HN -0.016 nan 8.230 nan 0.000 0.431 74 G N -1.594 107.447 108.800 0.403 0.000 2.408 74 G HA2 -0.195 3.772 3.960 0.012 0.000 0.217 74 G HA3 -0.195 3.772 3.960 0.012 0.000 0.217 74 G C 1.592 176.719 174.900 0.378 0.000 1.150 74 G CA 0.709 46.209 45.100 0.665 0.000 0.776 74 G HN 0.631 nan 8.290 nan 0.000 0.542 75 A N 0.214 123.125 122.820 0.152 0.000 1.902 75 A HA 0.076 4.403 4.320 0.012 0.000 0.217 75 A C 2.600 180.196 177.584 0.020 0.000 1.181 75 A CA 1.780 53.831 52.037 0.023 0.000 0.623 75 A CB -0.588 18.412 19.000 0.001 0.000 0.818 75 A HN 0.238 nan 8.150 nan 0.000 0.443 76 V N -0.363 119.599 119.914 0.079 0.000 2.261 76 V HA -0.233 3.894 4.120 0.012 0.000 0.246 76 V C 2.482 178.631 176.094 0.093 0.000 1.047 76 V CA 1.981 64.353 62.300 0.120 0.000 1.015 76 V CB -0.804 31.143 31.823 0.208 0.000 0.642 76 V HN 0.578 nan 8.190 nan 0.000 0.446 77 L N -0.002 121.303 121.223 0.135 0.000 2.042 77 L HA -0.205 4.142 4.340 0.012 0.000 0.210 77 L C 2.483 179.372 176.870 0.031 0.000 1.076 77 L CA 2.349 57.167 54.840 -0.036 0.000 0.749 77 L CB -0.910 41.101 42.059 -0.081 0.000 0.893 77 L HN 0.518 nan 8.230 nan 0.000 0.432 78 C N -0.747 118.492 119.300 -0.101 0.000 2.429 78 C HA -0.116 4.351 4.460 0.012 0.000 0.277 78 C C 2.990 177.968 174.990 -0.021 0.000 1.262 78 C CA 0.895 59.639 59.018 -0.455 0.000 1.733 78 C CB -1.372 25.662 27.740 -1.177 0.000 2.010 78 C HN 0.674 nan 8.230 nan 0.000 0.483 79 A N 0.199 123.026 122.820 0.013 0.000 1.930 79 A HA -0.012 4.315 4.320 0.012 0.000 0.217 79 A C 2.152 179.846 177.584 0.183 0.000 1.175 79 A CA 1.582 53.689 52.037 0.117 0.000 0.627 79 A CB -0.705 18.320 19.000 0.042 0.000 0.815 79 A HN 0.682 nan 8.150 nan 0.000 0.443 80 L N -0.581 120.685 121.223 0.072 0.000 2.265 80 L HA -0.120 4.227 4.340 0.012 0.000 0.215 80 L C 2.433 179.283 176.870 -0.032 0.000 1.117 80 L CA 0.764 55.614 54.840 0.017 0.000 0.782 80 L CB -0.452 41.553 42.059 -0.089 0.000 0.914 80 L HN 0.499 nan 8.230 nan 0.000 0.441 81 G N -0.936 107.823 108.800 -0.069 0.000 2.848 81 G HA2 -0.004 3.963 3.960 0.012 0.000 0.208 81 G HA3 -0.004 3.963 3.960 0.012 0.000 0.208 81 G C 0.208 174.838 174.900 -0.451 0.000 1.152 81 G CA -0.199 44.728 45.100 -0.289 0.000 0.789 81 G HN 0.083 nan 8.290 nan 0.000 0.531 82 F N -0.361 119.550 119.950 -0.065 0.000 2.470 82 F HA 0.382 4.916 4.527 0.011 0.000 0.329 82 F C 0.541 176.294 175.800 -0.078 0.000 1.072 82 F CA -1.385 56.571 58.000 -0.074 0.000 0.989 82 F CB 1.502 40.451 39.000 -0.085 0.000 1.193 82 F HN -0.078 nan 8.300 nan 0.000 0.481 83 E N 3.034 123.280 120.200 0.077 0.000 2.417 83 E HA -0.011 4.346 4.350 0.012 0.000 0.261 83 E C -0.135 176.425 176.600 -0.066 0.000 1.000 83 E CA -0.076 56.317 56.400 -0.011 0.000 0.919 83 E CB 0.244 29.920 29.700 -0.040 0.000 0.955 83 E HN 0.511 nan 8.360 nan 0.000 0.455 84 K N 2.478 122.801 120.400 -0.129 0.000 3.078 84 K HA -0.178 4.149 4.320 0.012 0.000 0.261 84 K C -0.746 175.574 176.600 -0.467 0.000 0.947 84 K CA 0.929 56.907 56.287 -0.515 0.000 0.702 84 K CB -1.760 30.419 32.500 -0.535 0.000 1.318 84 K HN 0.520 nan 8.250 nan 0.000 0.473 85 T N 1.124 115.621 114.554 -0.095 0.000 2.837 85 T HA 0.423 4.780 4.350 0.012 0.000 0.285 85 T C 0.038 174.854 174.700 0.194 0.000 0.984 85 T CA -0.633 61.478 62.100 0.019 0.000 1.049 85 T CB 1.176 70.088 68.868 0.074 0.000 0.947 85 T HN 0.174 nan 8.240 nan 0.000 0.472 86 M N 6.467 126.192 119.600 0.208 0.000 2.066 86 M HA 0.390 4.877 4.480 0.012 0.000 0.340 86 M C -2.511 173.913 176.300 0.206 0.000 1.053 86 M CA -2.666 52.799 55.300 0.276 0.000 0.983 86 M CB 0.943 33.740 32.600 0.328 0.000 1.520 86 M HN 0.156 nan 8.290 nan 0.000 0.428 87 P HA 0.070 nan 4.420 nan 0.000 0.268 87 P C -1.843 175.601 177.300 0.241 0.000 1.205 87 P CA 0.282 63.486 63.100 0.173 0.000 0.771 87 P CB 0.151 31.938 31.700 0.144 0.000 0.858 88 Y N 2.750 123.108 120.300 0.096 0.000 2.315 88 Y HA 0.341 4.898 4.550 0.012 0.000 0.324 88 Y C -1.385 174.591 175.900 0.127 0.000 1.062 88 Y CA -0.945 57.224 58.100 0.114 0.000 1.159 88 Y CB 1.276 39.800 38.460 0.107 0.000 1.145 88 Y HN 0.046 nan 8.280 nan 0.000 0.442 89 V N 6.324 126.307 119.914 0.115 0.000 2.333 89 V HA 0.147 4.274 4.120 0.012 0.000 0.274 89 V C -0.239 175.926 176.094 0.119 0.000 1.028 89 V CA -0.640 61.769 62.300 0.182 0.000 0.851 89 V CB 0.378 32.346 31.823 0.241 0.000 1.000 89 V HN 0.785 nan 8.190 nan 0.000 0.456 90 H N 4.189 123.371 119.070 0.187 0.000 2.878 90 H HA 0.592 5.155 4.556 0.012 0.000 0.290 90 H C 0.455 175.854 175.328 0.118 0.000 1.065 90 H CA 1.285 57.445 56.048 0.186 0.000 1.477 90 H CB 0.294 30.202 29.762 0.243 0.000 1.484 90 H HN 0.946 nan 8.280 nan 0.000 0.504 91 G N 2.494 111.105 108.800 -0.315 0.000 2.347 91 G HA2 0.047 4.014 3.960 0.012 0.000 0.224 91 G HA3 0.047 4.014 3.960 0.012 0.000 0.224 91 G C -0.970 173.853 174.900 -0.128 0.000 1.318 91 G CA -0.419 44.551 45.100 -0.217 0.000 1.016 91 G HN 0.853 nan 8.290 nan 0.000 0.469 92 S N -0.025 115.636 115.700 -0.065 0.000 2.584 92 S HA 0.428 4.905 4.470 0.012 0.000 0.273 92 S C 1.296 175.850 174.600 -0.077 0.000 1.311 92 S CA 0.561 58.724 58.200 -0.062 0.000 1.034 92 S CB 1.662 64.837 63.200 -0.041 0.000 0.939 92 S HN 1.106 nan 8.310 nan 0.000 0.513 93 Q N 1.959 121.704 119.800 -0.091 0.000 2.245 93 Q HA 0.068 4.415 4.340 0.012 0.000 0.201 93 Q C 1.825 177.723 176.000 -0.169 0.000 0.955 93 Q CA 1.067 56.802 55.803 -0.113 0.000 0.870 93 Q CB -0.917 27.762 28.738 -0.097 0.000 0.945 93 Q HN 0.843 nan 8.270 nan 0.000 0.461 94 G N 1.382 110.074 108.800 -0.181 0.000 2.469 94 G HA2 -0.297 3.670 3.960 0.012 0.000 0.220 94 G HA3 -0.297 3.670 3.960 0.012 0.000 0.220 94 G C 1.421 176.104 174.900 -0.362 0.000 1.136 94 G CA 1.067 46.001 45.100 -0.277 0.000 0.759 94 G HN 0.507 nan 8.290 nan 0.000 0.562 95 C N -0.122 118.991 119.300 -0.312 0.000 2.398 95 C HA -0.049 4.418 4.460 0.012 0.000 0.276 95 C C 3.021 177.359 174.990 -1.087 0.000 1.222 95 C CA 0.786 59.422 59.018 -0.636 0.000 1.746 95 C CB -1.114 26.391 27.740 -0.392 0.000 2.039 95 C HN 0.289 nan 8.230 nan 0.000 0.470 96 V N 1.298 120.918 119.914 -0.490 0.000 2.453 96 V HA -0.145 3.982 4.120 0.012 0.000 0.247 96 V C 2.738 178.753 176.094 -0.132 0.000 1.048 96 V CA 1.932 64.130 62.300 -0.171 0.000 1.049 96 V CB -1.253 30.574 31.823 0.006 0.000 0.672 96 V HN 0.597 nan 8.190 nan 0.000 0.457 97 A N -0.646 122.041 122.820 -0.221 0.000 1.892 97 A HA -0.258 4.069 4.320 0.012 0.000 0.218 97 A C 2.092 179.593 177.584 -0.138 0.000 1.188 97 A CA 2.124 54.040 52.037 -0.202 0.000 0.631 97 A CB -0.766 18.038 19.000 -0.328 0.000 0.822 97 A HN 0.542 nan 8.150 nan 0.000 0.447 98 Y N -1.162 119.007 120.300 -0.218 0.000 2.200 98 Y HA -0.094 4.463 4.550 0.011 0.000 0.290 98 Y C 2.196 178.081 175.900 -0.026 0.000 1.137 98 Y CA 0.704 58.701 58.100 -0.172 0.000 1.163 98 Y CB -0.879 37.409 38.460 -0.286 0.000 0.988 98 Y HN 0.333 nan 8.280 nan 0.000 0.518 99 F N -0.039 120.021 119.950 0.184 0.000 2.102 99 F HA -0.176 4.358 4.527 0.012 0.000 0.298 99 F C 2.366 178.297 175.800 0.218 0.000 1.105 99 F CA 1.152 59.237 58.000 0.142 0.000 1.239 99 F CB -1.243 37.865 39.000 0.179 0.000 0.991 99 F HN -0.076 nan 8.300 nan 0.000 0.474 100 R N 0.016 120.758 120.500 0.404 0.000 2.073 100 R HA -0.121 4.226 4.340 0.012 0.000 0.234 100 R C 2.354 178.834 176.300 0.300 0.000 1.134 100 R CA 1.717 58.024 56.100 0.345 0.000 0.952 100 R CB -0.817 29.605 30.300 0.204 0.000 0.850 100 R HN 0.171 nan 8.270 nan 0.000 0.433 101 S N 0.101 115.933 115.700 0.221 0.000 2.382 101 S HA -0.179 4.298 4.470 0.012 0.000 0.228 101 S C 1.605 176.321 174.600 0.193 0.000 1.027 101 S CA 1.127 59.425 58.200 0.164 0.000 0.991 101 S CB -0.382 62.898 63.200 0.134 0.000 0.823 101 S HN 0.309 nan 8.310 nan 0.000 0.469 102 Y N 1.182 121.546 120.300 0.106 0.000 2.114 102 Y HA -0.120 4.437 4.550 0.011 0.000 0.284 102 Y C 1.891 177.955 175.900 0.273 0.000 1.143 102 Y CA 1.025 59.190 58.100 0.107 0.000 1.135 102 Y CB -0.558 37.923 38.460 0.034 0.000 0.980 102 Y HN 0.188 nan 8.280 nan 0.000 0.499 103 F N 0.158 120.426 119.950 0.529 0.000 2.206 103 F HA -0.187 4.347 4.527 0.012 0.000 0.298 103 F C 2.222 178.273 175.800 0.418 0.000 1.090 103 F CA 1.054 59.382 58.000 0.547 0.000 1.323 103 F CB -1.162 38.179 39.000 0.568 0.000 1.028 103 F HN 0.065 nan 8.300 nan 0.000 0.492 104 N N 0.618 119.580 118.700 0.438 0.000 2.021 104 N HA -0.231 4.516 4.740 0.012 0.000 0.198 104 N C 2.028 177.613 175.510 0.126 0.000 1.041 104 N CA 1.591 54.779 53.050 0.230 0.000 0.862 104 N CB -0.547 38.013 38.487 0.122 0.000 1.048 104 N HN 0.168 nan 8.380 nan 0.000 0.427 105 R N -0.479 120.035 120.500 0.023 0.000 2.096 105 R HA -0.093 4.254 4.340 0.012 0.000 0.235 105 R C 2.149 178.506 176.300 0.096 0.000 1.127 105 R CA 1.181 57.190 56.100 -0.153 0.000 0.968 105 R CB -0.379 29.459 30.300 -0.770 0.000 0.861 105 R HN 0.482 nan 8.270 nan 0.000 0.440 106 H N -1.222 117.960 119.070 0.187 0.000 2.317 106 H HA -0.011 4.552 4.556 0.011 0.000 0.304 106 H C 1.052 176.188 175.328 -0.320 0.000 1.067 106 H CA 1.732 57.757 56.048 -0.038 0.000 1.352 106 H CB -0.001 29.680 29.762 -0.135 0.000 1.398 106 H HN 0.111 nan 8.280 nan 0.000 0.510 107 F N 0.249 120.123 119.950 -0.127 0.000 2.743 107 F HA 0.233 4.768 4.527 0.012 0.000 0.297 107 F C 0.742 176.231 175.800 -0.518 0.000 1.131 107 F CA 0.418 58.074 58.000 -0.573 0.000 1.426 107 F CB 0.074 38.958 39.000 -0.194 0.000 1.116 107 F HN -0.015 nan 8.300 nan 0.000 0.583 108 R N 1.281 121.734 120.500 -0.079 0.000 3.251 108 R HA -0.179 4.168 4.340 0.012 0.000 0.249 108 R C -0.856 175.481 176.300 0.062 0.000 0.949 108 R CA 0.468 56.553 56.100 -0.025 0.000 0.645 108 R CB -1.790 28.469 30.300 -0.067 0.000 1.065 108 R HN 0.236 nan 8.270 nan 0.000 0.452 109 E N -0.791 119.469 120.200 0.100 0.000 2.429 109 E HA 0.395 4.752 4.350 0.012 0.000 0.276 109 E C -2.562 174.100 176.600 0.103 0.000 0.953 109 E CA -2.298 54.163 56.400 0.102 0.000 0.787 109 E CB 1.614 31.363 29.700 0.082 0.000 1.307 109 E HN -0.158 nan 8.360 nan 0.000 0.458 110 P HA 0.125 nan 4.420 nan 0.000 0.269 110 P C -0.726 176.642 177.300 0.113 0.000 1.215 110 P CA -0.212 62.946 63.100 0.096 0.000 0.780 110 P CB 0.497 32.297 31.700 0.168 0.000 0.898 111 V N 2.142 122.127 119.914 0.118 0.000 2.398 111 V HA 0.190 4.317 4.120 0.012 0.000 0.282 111 V C -0.249 175.912 176.094 0.111 0.000 1.014 111 V CA -0.399 61.982 62.300 0.136 0.000 0.838 111 V CB 1.423 33.404 31.823 0.263 0.000 1.018 111 V HN 0.426 nan 8.190 nan 0.000 0.432 112 S N 3.520 119.262 115.700 0.069 0.000 2.452 112 S HA 0.632 5.109 4.470 0.012 0.000 0.284 112 S C -0.347 174.275 174.600 0.036 0.000 1.171 112 S CA -0.395 57.812 58.200 0.013 0.000 1.064 112 S CB 1.089 64.257 63.200 -0.053 0.000 0.967 112 S HN 0.923 nan 8.310 nan 0.000 0.484 113 C N 4.178 123.490 119.300 0.020 0.000 3.113 113 C HA 0.678 5.145 4.460 0.012 0.000 0.376 113 C C -0.653 174.347 174.990 0.015 0.000 1.077 113 C CA -0.545 58.516 59.018 0.071 0.000 1.253 113 C CB 0.110 27.953 27.740 0.173 0.000 1.637 113 C HN 0.851 nan 8.230 nan 0.000 0.535 114 V N 2.818 122.736 119.914 0.006 0.000 3.103 114 V HA 0.994 5.120 4.120 0.012 0.000 0.318 114 V C -0.225 175.768 176.094 -0.167 0.000 1.114 114 V CA -0.138 62.119 62.300 -0.071 0.000 1.020 114 V CB 1.707 33.499 31.823 -0.051 0.000 1.085 114 V HN 1.230 nan 8.190 nan 0.000 0.446 115 S N -0.189 115.379 115.700 -0.221 0.000 2.632 115 S HA 0.581 5.058 4.470 0.012 0.000 0.289 115 S C -0.415 173.990 174.600 -0.325 0.000 1.115 115 S CA 0.062 58.097 58.200 -0.275 0.000 0.889 115 S CB 1.943 65.063 63.200 -0.132 0.000 1.116 115 S HN 1.111 nan 8.310 nan 0.000 0.486 116 D N 0.539 120.768 120.400 -0.285 0.000 2.368 116 D HA 0.230 4.877 4.640 0.012 0.000 0.218 116 D C -0.001 176.268 176.300 -0.051 0.000 1.112 116 D CA -0.159 53.779 54.000 -0.104 0.000 0.834 116 D CB -0.282 40.571 40.800 0.088 0.000 0.953 116 D HN 0.377 nan 8.370 nan 0.000 0.505 117 S N -0.071 115.581 115.700 -0.079 0.000 3.484 117 S HA -0.240 4.237 4.470 0.012 0.000 0.384 117 S C 0.210 174.784 174.600 -0.043 0.000 0.932 117 S CA 0.151 58.317 58.200 -0.057 0.000 1.293 117 S CB -1.710 61.466 63.200 -0.040 0.000 0.919 117 S HN 0.503 nan 8.310 nan 0.000 0.540 118 M N 1.849 121.413 119.600 -0.062 0.000 2.228 118 M HA 0.221 4.708 4.480 0.012 0.000 0.351 118 M C 1.143 177.428 176.300 -0.025 0.000 1.233 118 M CA 0.357 55.631 55.300 -0.044 0.000 1.129 118 M CB 0.654 33.203 32.600 -0.086 0.000 1.604 118 M HN 0.608 nan 8.290 nan 0.000 0.457 119 T N -1.121 113.431 114.554 -0.002 0.000 2.804 119 T HA 0.391 4.747 4.350 0.012 0.000 0.272 119 T C 0.763 175.474 174.700 0.019 0.000 0.986 119 T CA -0.851 61.251 62.100 0.003 0.000 0.999 119 T CB 0.812 69.682 68.868 0.005 0.000 1.307 119 T HN 0.639 nan 8.240 nan 0.000 0.586 120 E N 0.668 120.879 120.200 0.020 0.000 2.097 120 E HA -0.155 4.202 4.350 0.012 0.000 0.196 120 E C 1.608 178.240 176.600 0.052 0.000 1.000 120 E CA 1.799 58.215 56.400 0.027 0.000 0.804 120 E CB -0.239 29.475 29.700 0.023 0.000 0.740 120 E HN 0.577 nan 8.360 nan 0.000 0.454 121 D N 0.018 120.462 120.400 0.074 0.000 2.224 121 D HA -0.049 4.598 4.640 0.012 0.000 0.205 121 D C 1.738 178.153 176.300 0.193 0.000 0.965 121 D CA 1.129 55.213 54.000 0.140 0.000 0.852 121 D CB -0.080 40.789 40.800 0.115 0.000 0.947 121 D HN 0.229 nan 8.370 nan 0.000 0.494 122 A N 0.980 123.873 122.820 0.123 0.000 2.067 122 A HA 0.135 4.462 4.320 0.012 0.000 0.217 122 A C 2.290 179.941 177.584 0.111 0.000 1.156 122 A CA 1.307 53.422 52.037 0.131 0.000 0.683 122 A CB -0.258 18.792 19.000 0.084 0.000 0.808 122 A HN 0.199 nan 8.150 nan 0.000 0.455 123 A N -0.323 122.535 122.820 0.063 0.000 1.877 123 A HA -0.038 4.289 4.320 0.012 0.000 0.216 123 A C 2.131 179.695 177.584 -0.034 0.000 1.186 123 A CA 1.870 53.921 52.037 0.023 0.000 0.620 123 A CB -0.840 18.163 19.000 0.006 0.000 0.822 123 A HN 0.393 nan 8.150 nan 0.000 0.443 124 V N -2.183 117.670 119.914 -0.103 0.000 2.667 124 V HA -0.104 4.023 4.120 0.012 0.000 0.252 124 V C 1.580 177.310 176.094 -0.606 0.000 1.065 124 V CA 1.622 63.682 62.300 -0.400 0.000 1.083 124 V CB -0.702 30.771 31.823 -0.584 0.000 0.692 124 V HN 0.567 nan 8.190 nan 0.000 0.468 125 F N -0.652 119.326 119.950 0.045 0.000 2.798 125 F HA 0.608 5.142 4.527 0.012 0.000 0.328 125 F C 1.117 176.961 175.800 0.074 0.000 1.098 125 F CA 0.301 58.330 58.000 0.048 0.000 1.172 125 F CB 0.561 39.576 39.000 0.026 0.000 1.072 125 F HN 0.200 nan 8.300 nan 0.000 0.555 126 G N 0.165 109.103 108.800 0.230 0.000 2.663 126 G HA2 0.146 4.113 3.960 0.012 0.000 0.686 126 G HA3 0.146 4.113 3.960 0.012 0.000 0.686 126 G C 0.427 175.473 174.900 0.244 0.000 1.288 126 G CA -0.569 44.697 45.100 0.278 0.000 0.836 126 G HN 0.518 nan 8.290 nan 0.000 0.584 127 G N -0.814 108.223 108.800 0.395 0.000 3.707 127 G HA2 0.413 4.380 3.960 0.012 0.000 0.286 127 G HA3 0.413 4.380 3.960 0.012 0.000 0.286 127 G C 1.009 175.996 174.900 0.145 0.000 1.112 127 G CA 1.293 46.597 45.100 0.340 0.000 0.861 127 G HN 0.865 nan 8.290 nan 0.000 0.534 128 Q N 0.481 120.013 119.800 -0.447 0.000 2.050 128 Q HA -0.160 4.187 4.340 0.012 0.000 0.202 128 Q C 2.344 178.061 176.000 -0.472 0.000 0.980 128 Q CA 1.947 57.115 55.803 -1.058 0.000 0.840 128 Q CB -0.148 27.919 28.738 -1.119 0.000 0.898 128 Q HN 0.411 nan 8.270 nan 0.000 0.424 129 Q N 0.076 119.709 119.800 -0.280 0.000 2.119 129 Q HA -0.047 4.300 4.340 0.012 0.000 0.201 129 Q C 1.634 177.538 176.000 -0.161 0.000 0.972 129 Q CA 1.784 57.451 55.803 -0.226 0.000 0.847 129 Q CB -0.257 28.401 28.738 -0.133 0.000 0.903 129 Q HN 0.534 nan 8.270 nan 0.000 0.433 130 N N -0.394 118.278 118.700 -0.046 0.000 2.104 130 N HA -0.206 4.541 4.740 0.012 0.000 0.190 130 N C 1.605 177.177 175.510 0.103 0.000 1.024 130 N CA 1.669 54.748 53.050 0.048 0.000 0.853 130 N CB -0.194 38.361 38.487 0.114 0.000 1.008 130 N HN 0.302 nan 8.380 nan 0.000 0.424 131 M N 1.734 121.387 119.600 0.087 0.000 2.077 131 M HA -0.086 4.401 4.480 0.012 0.000 0.261 131 M C 1.821 178.051 176.300 -0.116 0.000 1.070 131 M CA 1.587 56.928 55.300 0.068 0.000 1.125 131 M CB -0.081 32.501 32.600 -0.029 0.000 1.339 131 M HN -0.085 nan 8.290 nan 0.000 0.409 132 K N -0.050 120.133 120.400 -0.361 0.000 1.991 132 K HA -0.187 4.140 4.320 0.012 0.000 0.212 132 K C 1.759 178.033 176.600 -0.544 0.000 1.049 132 K CA 1.842 57.657 56.287 -0.787 0.000 0.932 132 K CB -0.504 31.045 32.500 -1.585 0.000 0.717 132 K HN 0.407 nan 8.250 nan 0.000 0.441 133 D N -0.196 120.004 120.400 -0.333 0.000 2.123 133 D HA -0.081 4.566 4.640 0.012 0.000 0.200 133 D C 2.047 178.384 176.300 0.062 0.000 0.976 133 D CA 1.304 55.278 54.000 -0.043 0.000 0.831 133 D CB -0.430 40.365 40.800 -0.009 0.000 0.974 133 D HN 0.360 nan 8.370 nan 0.000 0.469 134 G N 1.427 110.289 108.800 0.102 0.000 2.491 134 G HA2 -0.232 3.735 3.960 0.012 0.000 0.218 134 G HA3 -0.232 3.735 3.960 0.012 0.000 0.218 134 G C 1.833 176.935 174.900 0.337 0.000 1.180 134 G CA 0.409 45.663 45.100 0.256 0.000 0.774 134 G HN 0.229 nan 8.290 nan 0.000 0.562 135 L N -0.106 121.240 121.223 0.205 0.000 2.046 135 L HA -0.140 4.207 4.340 0.012 0.000 0.208 135 L C 3.015 179.924 176.870 0.065 0.000 1.077 135 L CA 1.670 56.550 54.840 0.067 0.000 0.747 135 L CB -0.465 41.549 42.059 -0.075 0.000 0.896 135 L HN 0.358 nan 8.230 nan 0.000 0.432 136 Q N 0.066 119.918 119.800 0.088 0.000 2.046 136 Q HA -0.203 4.144 4.340 0.012 0.000 0.200 136 Q C 2.036 178.076 176.000 0.066 0.000 0.975 136 Q CA 1.557 57.412 55.803 0.087 0.000 0.836 136 Q CB 0.116 28.978 28.738 0.206 0.000 0.896 136 Q HN 0.460 nan 8.270 nan 0.000 0.428 137 N N 0.197 118.959 118.700 0.102 0.000 2.120 137 N HA -0.164 4.583 4.740 0.012 0.000 0.188 137 N C 1.903 177.478 175.510 0.109 0.000 1.024 137 N CA 1.285 54.388 53.050 0.088 0.000 0.852 137 N CB -0.822 37.726 38.487 0.103 0.000 1.003 137 N HN 0.349 nan 8.380 nan 0.000 0.424 138 C N 1.617 121.035 119.300 0.197 0.000 2.453 138 C HA 0.002 4.469 4.460 0.012 0.000 0.277 138 C C 2.624 177.752 174.990 0.230 0.000 1.262 138 C CA 0.743 59.947 59.018 0.311 0.000 1.718 138 C CB -0.822 27.158 27.740 0.400 0.000 2.031 138 C HN 0.383 nan 8.230 nan 0.000 0.480 139 K N 0.349 120.801 120.400 0.087 0.000 2.057 139 K HA -0.114 4.213 4.320 0.012 0.000 0.207 139 K C 2.144 178.731 176.600 -0.021 0.000 1.049 139 K CA 1.690 57.950 56.287 -0.044 0.000 0.931 139 K CB -0.358 31.937 32.500 -0.341 0.000 0.714 139 K HN 0.550 nan 8.250 nan 0.000 0.440 140 A N 0.162 122.966 122.820 -0.027 0.000 1.929 140 A HA -0.080 4.247 4.320 0.012 0.000 0.216 140 A C 2.091 179.643 177.584 -0.054 0.000 1.176 140 A CA 1.872 53.887 52.037 -0.037 0.000 0.628 140 A CB -0.540 18.439 19.000 -0.036 0.000 0.816 140 A HN 0.373 nan 8.150 nan 0.000 0.444 141 T N -1.831 112.663 114.554 -0.100 0.000 2.901 141 T HA 0.019 4.376 4.350 0.012 0.000 0.252 141 T C 1.315 175.783 174.700 -0.386 0.000 1.035 141 T CA 1.344 63.255 62.100 -0.315 0.000 1.142 141 T CB -0.283 68.262 68.868 -0.538 0.000 0.869 141 T HN 0.524 nan 8.240 nan 0.000 0.442 142 Y N 0.906 121.285 120.300 0.131 0.000 2.449 142 Y HA 0.330 4.887 4.550 0.012 0.000 0.254 142 Y C 0.540 176.600 175.900 0.268 0.000 1.140 142 Y CA -0.629 57.585 58.100 0.190 0.000 1.272 142 Y CB 0.203 38.792 38.460 0.214 0.000 1.114 142 Y HN -0.077 nan 8.280 nan 0.000 0.525 143 K N -0.806 119.756 120.400 0.269 0.000 3.257 143 K HA -0.171 4.156 4.320 0.012 0.000 0.270 143 K C -2.942 173.775 176.600 0.195 0.000 0.984 143 K CA 0.236 56.640 56.287 0.196 0.000 0.739 143 K CB -2.024 30.571 32.500 0.158 0.000 1.351 143 K HN 0.327 nan 8.250 nan 0.000 0.463 144 P HA 0.218 nan 4.420 nan 0.000 0.276 144 P C 0.397 177.768 177.300 0.117 0.000 1.244 144 P CA -0.345 62.752 63.100 -0.005 0.000 0.801 144 P CB 0.653 32.462 31.700 0.182 0.000 1.006 145 D N -0.288 120.069 120.400 -0.071 0.000 2.323 145 D HA 0.106 4.753 4.640 0.012 0.000 0.209 145 D C 0.587 176.757 176.300 -0.217 0.000 0.973 145 D CA 1.212 55.207 54.000 -0.009 0.000 0.874 145 D CB 0.207 40.951 40.800 -0.093 0.000 0.930 145 D HN 0.295 nan 8.370 nan 0.000 0.521 146 M N 0.239 119.708 119.600 -0.218 0.000 2.470 146 M HA 0.366 4.853 4.480 0.012 0.000 0.285 146 M C -2.001 174.222 176.300 -0.128 0.000 1.213 146 M CA -0.520 54.531 55.300 -0.414 0.000 0.901 146 M CB 2.519 34.952 32.600 -0.278 0.000 1.718 146 M HN -0.333 nan 8.290 nan 0.000 0.469 147 I N 3.232 123.720 120.570 -0.137 0.000 2.418 147 I HA 0.556 4.733 4.170 0.012 0.000 0.287 147 I C -0.414 175.634 176.117 -0.115 0.000 1.008 147 I CA -0.684 60.630 61.300 0.024 0.000 1.104 147 I CB 1.960 40.053 38.000 0.155 0.000 1.264 147 I HN 0.787 nan 8.210 nan 0.000 0.438 148 A N 7.099 129.885 122.820 -0.058 0.000 2.253 148 A HA 0.665 4.992 4.320 0.012 0.000 0.316 148 A C -0.491 177.095 177.584 0.002 0.000 1.327 148 A CA -0.434 51.537 52.037 -0.110 0.000 0.917 148 A CB 0.623 19.542 19.000 -0.135 0.000 1.162 148 A HN 0.451 nan 8.150 nan 0.000 0.535 149 V N 3.350 123.253 119.914 -0.018 0.000 2.439 149 V HA 0.562 4.689 4.120 0.012 0.000 0.282 149 V C 0.603 176.755 176.094 0.097 0.000 1.039 149 V CA 0.213 62.567 62.300 0.090 0.000 0.913 149 V CB 1.144 32.962 31.823 -0.009 0.000 0.983 149 V HN 1.107 nan 8.190 nan 0.000 0.460 150 S N 3.018 118.812 115.700 0.156 0.000 2.841 150 S HA 0.900 5.377 4.470 0.012 0.000 0.318 150 S C -0.278 174.413 174.600 0.153 0.000 1.127 150 S CA -0.425 57.837 58.200 0.103 0.000 0.883 150 S CB 2.221 65.463 63.200 0.069 0.000 1.271 150 S HN 0.861 nan 8.310 nan 0.000 0.567 151 T N -1.254 113.372 114.554 0.119 0.000 2.903 151 T HA 0.722 5.079 4.350 0.012 0.000 0.299 151 T C -0.048 174.737 174.700 0.141 0.000 1.093 151 T CA -0.423 61.767 62.100 0.150 0.000 1.002 151 T CB 1.150 70.094 68.868 0.127 0.000 1.127 151 T HN 1.036 nan 8.240 nan 0.000 0.488 152 T N -1.620 113.020 114.554 0.143 0.000 2.862 152 T HA 0.328 4.685 4.350 0.012 0.000 0.276 152 T C 1.924 176.704 174.700 0.134 0.000 0.974 152 T CA -0.198 61.993 62.100 0.152 0.000 0.966 152 T CB 0.376 69.322 68.868 0.129 0.000 1.072 152 T HN 1.140 nan 8.240 nan 0.000 0.538 153 C N 0.715 120.109 119.300 0.157 0.000 2.435 153 C HA 0.058 4.525 4.460 0.012 0.000 0.279 153 C C 2.682 177.807 174.990 0.226 0.000 1.321 153 C CA 0.520 59.686 59.018 0.246 0.000 1.752 153 C CB -1.793 26.142 27.740 0.326 0.000 1.959 153 C HN 0.882 nan 8.230 nan 0.000 0.500 154 M N 2.455 122.136 119.600 0.134 0.000 2.073 154 M HA -0.169 4.318 4.480 0.012 0.000 0.258 154 M C 2.551 178.908 176.300 0.094 0.000 1.070 154 M CA 2.687 58.040 55.300 0.088 0.000 1.103 154 M CB -0.579 32.046 32.600 0.041 0.000 1.321 154 M HN 0.492 nan 8.290 nan 0.000 0.405 155 A N -0.010 122.860 122.820 0.084 0.000 1.933 155 A HA -0.158 4.169 4.320 0.012 0.000 0.218 155 A C 1.865 179.549 177.584 0.167 0.000 1.175 155 A CA 1.665 53.765 52.037 0.105 0.000 0.628 155 A CB -0.647 18.404 19.000 0.086 0.000 0.814 155 A HN 0.619 nan 8.150 nan 0.000 0.444 156 E N -0.171 120.147 120.200 0.197 0.000 2.072 156 E HA -0.087 4.270 4.350 0.012 0.000 0.190 156 E C 2.237 178.986 176.600 0.249 0.000 0.982 156 E CA 1.236 57.783 56.400 0.245 0.000 0.803 156 E CB -0.535 29.320 29.700 0.257 0.000 0.755 156 E HN 0.390 nan 8.360 nan 0.000 0.453 157 V N 2.742 122.797 119.914 0.234 0.000 2.343 157 V HA -0.222 3.905 4.120 0.012 0.000 0.247 157 V C 2.520 178.658 176.094 0.073 0.000 1.051 157 V CA 1.763 64.137 62.300 0.122 0.000 1.036 157 V CB -0.699 31.157 31.823 0.055 0.000 0.654 157 V HN 0.351 nan 8.190 nan 0.000 0.451 158 I N -0.757 119.860 120.570 0.079 0.000 3.001 158 I HA 0.250 4.427 4.170 0.012 0.000 0.268 158 I C 1.375 177.533 176.117 0.068 0.000 1.267 158 I CA 1.020 62.357 61.300 0.060 0.000 1.472 158 I CB -0.805 37.235 38.000 0.066 0.000 1.089 158 I HN 0.432 nan 8.210 nan 0.000 0.468 159 G N 2.247 111.097 108.800 0.084 0.000 2.291 159 G HA2 -0.218 3.749 3.960 0.012 0.000 0.271 159 G HA3 -0.218 3.749 3.960 0.012 0.000 0.271 159 G C -0.637 174.271 174.900 0.013 0.000 1.099 159 G CA 0.092 45.226 45.100 0.057 0.000 0.919 159 G HN 0.519 nan 8.290 nan 0.000 0.496 160 D N 0.568 120.973 120.400 0.008 0.000 2.383 160 D HA 0.323 4.970 4.640 0.012 0.000 0.252 160 D C 0.379 176.433 176.300 -0.410 0.000 1.166 160 D CA 0.024 53.873 54.000 -0.252 0.000 0.879 160 D CB 1.044 41.788 40.800 -0.093 0.000 1.164 160 D HN 0.211 nan 8.370 nan 0.000 0.462 161 D N 3.215 123.212 120.400 -0.673 0.000 2.383 161 D HA 0.014 4.661 4.640 0.012 0.000 0.245 161 D C 1.289 177.157 176.300 -0.719 0.000 1.263 161 D CA -0.128 53.599 54.000 -0.455 0.000 0.936 161 D CB 0.359 40.996 40.800 -0.272 0.000 1.053 161 D HN 0.356 nan 8.370 nan 0.000 0.507 162 L N 3.390 124.297 121.223 -0.526 0.000 2.042 162 L HA -0.238 4.109 4.340 0.012 0.000 0.210 162 L C 2.102 178.521 176.870 -0.752 0.000 1.076 162 L CA 0.937 55.371 54.840 -0.676 0.000 0.749 162 L CB -0.370 41.246 42.059 -0.739 0.000 0.893 162 L HN 0.389 nan 8.230 nan 0.000 0.432 163 N N 0.195 118.402 118.700 -0.822 0.000 2.058 163 N HA -0.186 4.561 4.740 0.012 0.000 0.191 163 N C 1.786 177.109 175.510 -0.311 0.000 1.037 163 N CA 1.848 54.432 53.050 -0.777 0.000 0.848 163 N CB -0.141 38.127 38.487 -0.366 0.000 1.021 163 N HN 0.276 nan 8.380 nan 0.000 0.422 164 A N -0.264 122.461 122.820 -0.159 0.000 1.877 164 A HA -0.079 4.248 4.320 0.012 0.000 0.216 164 A C 2.061 179.720 177.584 0.126 0.000 1.186 164 A CA 1.208 53.253 52.037 0.013 0.000 0.620 164 A CB -1.099 17.948 19.000 0.078 0.000 0.822 164 A HN 0.350 nan 8.150 nan 0.000 0.443 165 F N 0.027 119.865 119.950 -0.186 0.000 2.126 165 F HA -0.148 4.385 4.527 0.011 0.000 0.299 165 F C 2.219 177.898 175.800 -0.202 0.000 1.096 165 F CA 0.733 58.618 58.000 -0.192 0.000 1.255 165 F CB -0.848 37.995 39.000 -0.262 0.000 0.997 165 F HN 0.138 nan 8.300 nan 0.000 0.479 166 I N -0.359 120.178 120.570 -0.056 0.000 2.353 166 I HA -0.294 3.883 4.170 0.012 0.000 0.248 166 I C 1.926 178.023 176.117 -0.034 0.000 1.119 166 I CA 1.244 62.484 61.300 -0.099 0.000 1.417 166 I CB -0.545 37.346 38.000 -0.183 0.000 1.078 166 I HN 0.177 nan 8.210 nan 0.000 0.421 167 N N 0.899 119.582 118.700 -0.028 0.000 2.084 167 N HA -0.173 4.574 4.740 0.012 0.000 0.190 167 N C 1.499 177.026 175.510 0.028 0.000 1.030 167 N CA 1.416 54.472 53.050 0.010 0.000 0.849 167 N CB -0.231 38.261 38.487 0.007 0.000 1.012 167 N HN 0.387 nan 8.380 nan 0.000 0.423 168 N N 0.165 118.880 118.700 0.024 0.000 2.223 168 N HA -0.075 4.672 4.740 0.012 0.000 0.185 168 N C 1.448 176.991 175.510 0.055 0.000 1.016 168 N CA 0.749 53.815 53.050 0.027 0.000 0.863 168 N CB 0.045 38.527 38.487 -0.009 0.000 0.983 168 N HN 0.119 nan 8.380 nan 0.000 0.429 169 S N 0.806 116.519 115.700 0.022 0.000 2.383 169 S HA -0.055 4.422 4.470 0.012 0.000 0.227 169 S C 1.666 176.376 174.600 0.183 0.000 1.026 169 S CA 0.972 59.219 58.200 0.078 0.000 0.981 169 S CB -0.001 63.177 63.200 -0.036 0.000 0.818 169 S HN 0.311 nan 8.310 nan 0.000 0.472 170 K N 0.825 121.288 120.400 0.104 0.000 2.062 170 K HA 0.033 4.360 4.320 0.012 0.000 0.205 170 K C 2.148 178.795 176.600 0.079 0.000 1.051 170 K CA 0.849 57.193 56.287 0.094 0.000 0.941 170 K CB -0.105 32.442 32.500 0.078 0.000 0.719 170 K HN -0.005 nan 8.250 nan 0.000 0.440 171 K N 1.471 121.915 120.400 0.073 0.000 2.103 171 K HA -0.105 4.221 4.320 0.012 0.000 0.207 171 K C 1.375 178.008 176.600 0.054 0.000 1.048 171 K CA 1.347 57.666 56.287 0.054 0.000 0.930 171 K CB 0.091 32.620 32.500 0.047 0.000 0.716 171 K HN 0.163 nan 8.250 nan 0.000 0.444 172 E N -1.042 119.224 120.200 0.110 0.000 2.437 172 E HA 0.108 4.465 4.350 0.012 0.000 0.189 172 E C 0.459 176.999 176.600 -0.101 0.000 1.054 172 E CA 0.472 56.919 56.400 0.080 0.000 0.874 172 E CB 0.462 30.329 29.700 0.280 0.000 1.011 172 E HN 0.454 nan 8.360 nan 0.000 0.474 173 G N 1.098 109.873 108.800 -0.042 0.000 2.162 173 G HA2 -0.322 3.645 3.960 0.012 0.000 0.260 173 G HA3 -0.322 3.645 3.960 0.012 0.000 0.260 173 G C 0.620 175.414 174.900 -0.177 0.000 0.976 173 G CA 0.318 45.342 45.100 -0.126 0.000 0.655 173 G HN 0.317 nan 8.290 nan 0.000 0.533 174 F N 0.675 120.605 119.950 -0.034 0.000 2.146 174 F HA 0.241 4.775 4.527 0.012 0.000 0.298 174 F C 1.852 177.612 175.800 -0.068 0.000 1.096 174 F CA 1.671 59.644 58.000 -0.044 0.000 1.275 174 F CB -0.030 38.947 39.000 -0.037 0.000 1.008 174 F HN 0.453 nan 8.300 nan 0.000 0.480 175 I N -3.369 117.270 120.570 0.115 0.000 2.689 175 I HA 0.516 4.693 4.170 0.012 0.000 0.299 175 I C -2.875 173.256 176.117 0.023 0.000 1.059 175 I CA -2.805 58.490 61.300 -0.009 0.000 1.055 175 I CB 1.630 39.608 38.000 -0.038 0.000 1.243 175 I HN -0.374 nan 8.210 nan 0.000 0.425 176 P HA 0.057 nan 4.420 nan 0.000 0.269 176 P C 0.080 177.452 177.300 0.120 0.000 1.209 176 P CA -0.014 63.121 63.100 0.059 0.000 0.776 176 P CB 0.642 32.382 31.700 0.066 0.000 0.876 177 D N 1.766 122.219 120.400 0.088 0.000 2.182 177 D HA -0.174 4.473 4.640 0.012 0.000 0.201 177 D C 0.702 177.068 176.300 0.109 0.000 0.986 177 D CA 1.324 55.376 54.000 0.087 0.000 0.847 177 D CB 0.283 41.115 40.800 0.053 0.000 0.942 177 D HN 0.505 nan 8.370 nan 0.000 0.467 178 E N -0.727 119.544 120.200 0.117 0.000 2.444 178 E HA -0.007 4.350 4.350 0.012 0.000 0.191 178 E C 0.007 176.705 176.600 0.164 0.000 1.041 178 E CA -0.495 55.973 56.400 0.114 0.000 0.883 178 E CB 0.143 29.891 29.700 0.081 0.000 1.024 178 E HN 0.158 nan 8.360 nan 0.000 0.470 179 F N 4.053 124.032 119.950 0.049 0.000 2.472 179 F HA 0.161 4.695 4.527 0.011 0.000 0.364 179 F C -2.105 173.714 175.800 0.032 0.000 1.090 179 F CA -2.937 55.086 58.000 0.037 0.000 1.188 179 F CB 0.704 39.714 39.000 0.016 0.000 1.105 179 F HN -0.154 nan 8.300 nan 0.000 0.536 180 P HA 0.070 nan 4.420 nan 0.000 0.276 180 P C -0.969 175.868 177.300 -0.770 0.000 1.264 180 P CA 0.086 62.867 63.100 -0.533 0.000 0.769 180 P CB 1.186 32.671 31.700 -0.359 0.000 0.840 181 V N 6.209 125.684 119.914 -0.731 0.000 2.384 181 V HA 0.217 4.344 4.120 0.012 0.000 0.257 181 V C -2.232 173.478 176.094 -0.640 0.000 0.969 181 V CA -1.777 60.224 62.300 -0.499 0.000 0.910 181 V CB 1.089 32.835 31.823 -0.128 0.000 1.150 181 V HN 0.434 nan 8.190 nan 0.000 0.481 182 P HA 0.428 nan 4.420 nan 0.000 0.272 182 P C -0.712 176.449 177.300 -0.233 0.000 1.223 182 P CA 0.061 62.770 63.100 -0.651 0.000 0.784 182 P CB 0.546 31.821 31.700 -0.709 0.000 0.923 183 F N -0.926 118.873 119.950 -0.252 0.000 2.664 183 F HA 0.918 5.451 4.527 0.011 0.000 0.317 183 F C -1.492 174.211 175.800 -0.160 0.000 1.108 183 F CA -1.673 56.207 58.000 -0.200 0.000 0.957 183 F CB 1.082 39.965 39.000 -0.195 0.000 1.365 183 F HN 0.459 nan 8.300 nan 0.000 0.475 184 A N 0.593 123.421 122.820 0.013 0.000 2.532 184 A HA 0.463 4.790 4.320 0.012 0.000 0.296 184 A C -1.905 175.691 177.584 0.020 0.000 1.058 184 A CA -0.699 51.323 52.037 -0.024 0.000 0.729 184 A CB 0.643 19.591 19.000 -0.087 0.000 1.285 184 A HN 0.932 nan 8.150 nan 0.000 0.396 185 H N 2.085 121.210 119.070 0.091 0.000 2.767 185 H HA 0.347 4.910 4.556 0.012 0.000 0.316 185 H C 0.143 175.475 175.328 0.007 0.000 1.059 185 H CA 1.371 57.454 56.048 0.058 0.000 1.461 185 H CB 0.929 30.720 29.762 0.047 0.000 1.475 185 H HN 0.675 nan 8.280 nan 0.000 0.531 186 T N 1.397 115.995 114.554 0.074 0.000 3.410 186 T HA 0.206 4.563 4.350 0.012 0.000 0.328 186 T C -2.909 171.750 174.700 -0.069 0.000 1.567 186 T CA -1.989 60.114 62.100 0.005 0.000 1.626 186 T CB 0.832 69.706 68.868 0.010 0.000 0.939 186 T HN 0.296 nan 8.240 nan 0.000 0.656 187 P HA 0.173 nan 4.420 nan 0.000 0.276 187 P C 1.119 178.113 177.300 -0.511 0.000 1.253 187 P CA -0.166 62.629 63.100 -0.509 0.000 0.766 187 P CB 1.242 32.407 31.700 -0.893 0.000 0.845 188 S N 2.697 118.194 115.700 -0.338 0.000 2.515 188 S HA -0.132 4.345 4.470 0.012 0.000 0.231 188 S C 1.216 175.770 174.600 -0.077 0.000 0.987 188 S CA 0.439 58.567 58.200 -0.120 0.000 0.936 188 S CB -1.197 62.028 63.200 0.042 0.000 0.766 188 S HN 0.504 nan 8.310 nan 0.000 0.528 189 F N 0.662 120.631 119.950 0.031 0.000 2.773 189 F HA 0.617 5.151 4.527 0.011 0.000 0.304 189 F C -0.026 175.782 175.800 0.013 0.000 1.129 189 F CA -0.978 57.032 58.000 0.016 0.000 1.378 189 F CB -0.400 38.611 39.000 0.017 0.000 1.095 189 F HN -0.072 nan 8.300 nan 0.000 0.565 190 V N 1.369 121.195 119.914 -0.145 0.000 2.444 190 V HA 0.737 4.864 4.120 0.012 0.000 0.294 190 V C 0.719 176.776 176.094 -0.062 0.000 1.022 190 V CA -0.423 61.841 62.300 -0.060 0.000 0.850 190 V CB 0.594 32.350 31.823 -0.111 0.000 0.992 190 V HN 0.673 nan 8.190 nan 0.000 0.426 191 G N 5.271 114.055 108.800 -0.028 0.000 2.561 191 G HA2 -0.163 3.804 3.960 0.012 0.000 0.289 191 G HA3 -0.163 3.804 3.960 0.012 0.000 0.289 191 G C 0.188 175.037 174.900 -0.086 0.000 1.169 191 G CA 0.736 45.806 45.100 -0.050 0.000 0.980 191 G HN 1.911 nan 8.290 nan 0.000 0.550 192 S N -2.149 113.476 115.700 -0.125 0.000 2.727 192 S HA 0.598 5.075 4.470 0.012 0.000 0.278 192 S C 1.094 175.577 174.600 -0.195 0.000 1.186 192 S CA 0.718 58.828 58.200 -0.151 0.000 0.836 192 S CB 0.780 63.840 63.200 -0.234 0.000 1.186 192 S HN 1.918 nan 8.310 nan 0.000 0.499 193 H N 0.878 119.838 119.070 -0.183 0.000 2.394 193 H HA -0.124 4.439 4.556 0.012 0.000 0.297 193 H C 2.114 177.294 175.328 -0.247 0.000 1.113 193 H CA 2.372 58.292 56.048 -0.213 0.000 1.277 193 H CB -1.490 28.085 29.762 -0.310 0.000 1.370 193 H HN 0.666 nan 8.280 nan 0.000 0.506 194 V N -0.075 119.285 119.914 -0.922 0.000 2.515 194 V HA -0.167 3.960 4.120 0.012 0.000 0.250 194 V C 2.330 178.335 176.094 -0.150 0.000 1.058 194 V CA 1.957 63.855 62.300 -0.670 0.000 1.064 194 V CB -1.288 29.920 31.823 -1.024 0.000 0.675 194 V HN 0.413 nan 8.190 nan 0.000 0.461 195 T N 1.252 115.732 114.554 -0.124 0.000 2.788 195 T HA -0.015 4.342 4.350 0.012 0.000 0.268 195 T C 1.933 176.685 174.700 0.086 0.000 1.044 195 T CA 1.654 63.764 62.100 0.017 0.000 1.139 195 T CB -0.804 68.048 68.868 -0.026 0.000 0.867 195 T HN 0.693 nan 8.240 nan 0.000 0.454 196 G N -0.406 108.438 108.800 0.074 0.000 2.421 196 G HA2 -0.155 3.812 3.960 0.012 0.000 0.217 196 G HA3 -0.155 3.812 3.960 0.012 0.000 0.217 196 G C 1.298 176.313 174.900 0.192 0.000 1.143 196 G CA 0.167 45.328 45.100 0.101 0.000 0.784 196 G HN 0.559 nan 8.290 nan 0.000 0.541 197 W N 1.118 122.496 121.300 0.129 0.000 2.354 197 W HA -0.072 4.595 4.660 0.011 0.000 0.315 197 W C 2.237 178.893 176.519 0.229 0.000 1.206 197 W CA 1.484 58.964 57.345 0.225 0.000 1.290 197 W CB 0.072 29.712 29.460 0.301 0.000 1.152 197 W HN 0.235 nan 8.180 nan 0.000 0.489 198 D N -0.056 120.723 120.400 0.631 0.000 2.104 198 D HA -0.246 4.401 4.640 0.012 0.000 0.194 198 D C 1.769 178.225 176.300 0.260 0.000 0.994 198 D CA 1.830 56.115 54.000 0.475 0.000 0.830 198 D CB -0.544 40.455 40.800 0.331 0.000 0.959 198 D HN 0.036 nan 8.370 nan 0.000 0.452 199 N N -0.288 118.506 118.700 0.158 0.000 2.120 199 N HA -0.159 4.587 4.740 0.012 0.000 0.188 199 N C 1.740 177.240 175.510 -0.016 0.000 1.024 199 N CA 0.907 53.990 53.050 0.054 0.000 0.852 199 N CB -0.451 38.061 38.487 0.042 0.000 1.003 199 N HN 0.282 nan 8.380 nan 0.000 0.424 200 M N -0.127 119.460 119.600 -0.021 0.000 2.099 200 M HA -0.037 4.450 4.480 0.012 0.000 0.262 200 M C 1.835 178.031 176.300 -0.173 0.000 1.067 200 M CA 1.182 56.409 55.300 -0.122 0.000 1.124 200 M CB -0.576 31.936 32.600 -0.146 0.000 1.353 200 M HN 0.097 nan 8.290 nan 0.000 0.410 201 F N 0.700 120.491 119.950 -0.266 0.000 2.075 201 F HA -0.216 4.318 4.527 0.012 0.000 0.297 201 F C 2.403 178.106 175.800 -0.162 0.000 1.113 201 F CA 2.288 60.158 58.000 -0.217 0.000 1.218 201 F CB -0.568 38.343 39.000 -0.148 0.000 0.984 201 F HN 0.266 nan 8.300 nan 0.000 0.472 202 E N 0.338 120.530 120.200 -0.014 0.000 2.085 202 E HA -0.202 4.155 4.350 0.012 0.000 0.194 202 E C 2.423 178.720 176.600 -0.505 0.000 0.994 202 E CA 1.349 57.590 56.400 -0.264 0.000 0.801 202 E CB -0.836 28.774 29.700 -0.149 0.000 0.743 202 E HN 0.529 nan 8.360 nan 0.000 0.453 203 G N 1.190 109.750 108.800 -0.399 0.000 2.442 203 G HA2 -0.225 3.742 3.960 0.012 0.000 0.219 203 G HA3 -0.225 3.742 3.960 0.012 0.000 0.219 203 G C 1.723 176.340 174.900 -0.472 0.000 1.141 203 G CA 0.842 45.653 45.100 -0.482 0.000 0.763 203 G HN 0.275 nan 8.290 nan 0.000 0.554 204 I N 1.045 121.337 120.570 -0.464 0.000 2.353 204 I HA -0.047 4.130 4.170 0.012 0.000 0.248 204 I C 3.230 179.208 176.117 -0.231 0.000 1.119 204 I CA 0.708 61.762 61.300 -0.411 0.000 1.417 204 I CB -0.154 37.457 38.000 -0.649 0.000 1.078 204 I HN 0.232 nan 8.210 nan 0.000 0.421 205 A N 1.119 123.687 122.820 -0.420 0.000 1.877 205 A HA -0.193 4.134 4.320 0.012 0.000 0.216 205 A C 2.413 179.919 177.584 -0.130 0.000 1.186 205 A CA 1.400 53.317 52.037 -0.199 0.000 0.620 205 A CB -0.528 18.228 19.000 -0.406 0.000 0.822 205 A HN 0.278 nan 8.150 nan 0.000 0.443 206 R N -2.146 117.997 120.500 -0.594 0.000 2.080 206 R HA -0.186 4.161 4.340 0.012 0.000 0.236 206 R C 2.170 178.402 176.300 -0.112 0.000 1.137 206 R CA 1.831 57.690 56.100 -0.402 0.000 0.943 206 R CB -0.700 29.293 30.300 -0.512 0.000 0.846 206 R HN 0.660 nan 8.270 nan 0.000 0.431 207 Y N 0.266 120.374 120.300 -0.320 0.000 2.139 207 Y HA -0.272 4.285 4.550 0.012 0.000 0.282 207 Y C 1.614 177.292 175.900 -0.370 0.000 1.179 207 Y CA 1.783 59.641 58.100 -0.405 0.000 1.161 207 Y CB -0.145 37.932 38.460 -0.638 0.000 0.970 207 Y HN -0.035 nan 8.280 nan 0.000 0.511 208 F N -1.364 118.613 119.950 0.044 0.000 2.776 208 F HA 0.075 4.608 4.527 0.011 0.000 0.300 208 F C 1.943 177.762 175.800 0.032 0.000 1.116 208 F CA 1.086 59.104 58.000 0.030 0.000 1.375 208 F CB 0.090 39.131 39.000 0.069 0.000 1.109 208 F HN 0.160 nan 8.300 nan 0.000 0.585 209 T N -4.816 109.892 114.554 0.256 0.000 3.051 209 T HA 0.069 4.426 4.350 0.012 0.000 0.254 209 T C 1.577 176.423 174.700 0.243 0.000 0.916 209 T CA 0.107 62.368 62.100 0.268 0.000 0.894 209 T CB -0.628 68.524 68.868 0.473 0.000 1.251 209 T HN 0.025 nan 8.240 nan 0.000 0.517 210 L N 1.874 123.260 121.223 0.272 0.000 2.043 210 L HA 0.115 4.462 4.340 0.012 0.000 0.212 210 L C 1.817 178.741 176.870 0.090 0.000 1.075 210 L CA 1.840 56.812 54.840 0.221 0.000 0.752 210 L CB -0.484 41.696 42.059 0.202 0.000 0.891 210 L HN 0.077 nan 8.230 nan 0.000 0.432 211 K N -1.547 118.871 120.400 0.030 0.000 2.444 211 K HA 0.155 4.482 4.320 0.012 0.000 0.193 211 K C 1.549 178.147 176.600 -0.004 0.000 1.024 211 K CA 0.573 56.858 56.287 -0.004 0.000 1.077 211 K CB 0.252 32.723 32.500 -0.049 0.000 0.833 211 K HN 0.254 nan 8.250 nan 0.000 0.517 212 S N 0.470 116.176 115.700 0.011 0.000 2.663 212 S HA 0.158 4.635 4.470 0.012 0.000 0.243 212 S C 1.144 175.741 174.600 -0.006 0.000 1.009 212 S CA -0.277 57.922 58.200 -0.001 0.000 0.988 212 S CB 0.047 63.247 63.200 -0.000 0.000 0.896 212 S HN 0.008 nan 8.310 nan 0.000 0.502 213 M N 1.125 120.728 119.600 0.005 0.000 2.460 213 M HA 0.031 4.518 4.480 0.012 0.000 0.263 213 M C 1.124 177.414 176.300 -0.017 0.000 1.071 213 M CA 0.802 56.097 55.300 -0.008 0.000 1.096 213 M CB -1.180 31.425 32.600 0.009 0.000 1.408 213 M HN 0.214 nan 8.290 nan 0.000 0.463 214 D N 1.512 121.905 120.400 -0.012 0.000 2.104 214 D HA -0.172 4.475 4.640 0.012 0.000 0.194 214 D C 1.202 177.492 176.300 -0.017 0.000 0.994 214 D CA 1.635 55.627 54.000 -0.012 0.000 0.830 214 D CB -0.263 40.531 40.800 -0.010 0.000 0.959 214 D HN 0.494 nan 8.370 nan 0.000 0.452 215 D N -0.333 120.055 120.400 -0.021 0.000 2.328 215 D HA -0.013 4.634 4.640 0.012 0.000 0.226 215 D C -0.084 176.197 176.300 -0.032 0.000 1.066 215 D CA 0.044 54.030 54.000 -0.023 0.000 0.861 215 D CB -0.310 40.477 40.800 -0.023 0.000 0.912 215 D HN -0.010 nan 8.370 nan 0.000 0.521 216 K N 0.179 120.556 120.400 -0.039 0.000 2.211 216 K HA 0.461 4.788 4.320 0.012 0.000 0.275 216 K C -0.963 175.617 176.600 -0.033 0.000 1.024 216 K CA -0.683 55.572 56.287 -0.053 0.000 0.887 216 K CB 2.337 34.781 32.500 -0.094 0.000 1.084 216 K HN -0.140 nan 8.250 nan 0.000 0.463 217 V N 3.881 123.780 119.914 -0.025 0.000 2.398 217 V HA 0.194 4.321 4.120 0.012 0.000 0.286 217 V C -0.074 176.027 176.094 0.012 0.000 1.026 217 V CA -1.168 61.129 62.300 -0.006 0.000 0.868 217 V CB 1.556 33.374 31.823 -0.008 0.000 0.982 217 V HN 0.465 nan 8.190 nan 0.000 0.443 218 V N 4.968 124.908 119.914 0.044 0.000 2.493 218 V HA 0.393 4.520 4.120 0.012 0.000 0.292 218 V C 1.466 177.580 176.094 0.033 0.000 1.016 218 V CA 1.593 63.949 62.300 0.093 0.000 1.097 218 V CB 0.081 31.988 31.823 0.141 0.000 0.947 218 V HN 1.328 nan 8.190 nan 0.000 0.479 219 G N 4.077 112.882 108.800 0.009 0.000 2.175 219 G HA2 -0.301 3.666 3.960 0.012 0.000 0.244 219 G HA3 -0.301 3.666 3.960 0.012 0.000 0.244 219 G C 1.050 175.939 174.900 -0.019 0.000 0.982 219 G CA 0.768 45.854 45.100 -0.023 0.000 0.641 219 G HN 1.049 nan 8.290 nan 0.000 0.527 220 S N 1.084 116.775 115.700 -0.015 0.000 2.402 220 S HA -0.131 4.346 4.470 0.012 0.000 0.229 220 S C 1.928 176.514 174.600 -0.024 0.000 1.021 220 S CA 1.724 59.913 58.200 -0.019 0.000 0.974 220 S CB -0.355 62.833 63.200 -0.020 0.000 0.800 220 S HN 1.097 nan 8.310 nan 0.000 0.484 221 N N 1.367 120.049 118.700 -0.029 0.000 2.422 221 N HA -0.000 4.747 4.740 0.012 0.000 0.181 221 N C 0.217 175.710 175.510 -0.028 0.000 1.080 221 N CA 0.418 53.449 53.050 -0.033 0.000 0.893 221 N CB -0.617 37.845 38.487 -0.042 0.000 0.973 221 N HN 0.469 nan 8.380 nan 0.000 0.456 222 K N -0.926 119.458 120.400 -0.027 0.000 3.230 222 K HA -0.188 4.139 4.320 0.012 0.000 0.285 222 K C -0.731 175.859 176.600 -0.017 0.000 1.196 222 K CA 0.790 57.063 56.287 -0.023 0.000 0.838 222 K CB -1.704 30.785 32.500 -0.018 0.000 1.262 222 K HN 0.488 nan 8.250 nan 0.000 0.492 223 K N 0.333 120.722 120.400 -0.018 0.000 2.211 223 K HA 0.628 4.955 4.320 0.012 0.000 0.237 223 K C 0.223 176.828 176.600 0.007 0.000 1.002 223 K CA -0.871 55.419 56.287 0.005 0.000 0.885 223 K CB 1.329 33.829 32.500 -0.001 0.000 1.136 223 K HN -0.001 nan 8.250 nan 0.000 0.448 224 I N 2.209 122.813 120.570 0.056 0.000 2.406 224 I HA 0.195 4.372 4.170 0.012 0.000 0.290 224 I C -0.622 175.579 176.117 0.139 0.000 0.999 224 I CA -1.019 60.316 61.300 0.058 0.000 1.124 224 I CB 1.548 39.571 38.000 0.039 0.000 1.289 224 I HN 0.447 nan 8.210 nan 0.000 0.441 225 N N 7.032 125.827 118.700 0.157 0.000 2.520 225 N HA 0.394 5.141 4.740 0.012 0.000 0.273 225 N C -0.685 174.972 175.510 0.245 0.000 1.155 225 N CA -0.137 53.063 53.050 0.250 0.000 0.967 225 N CB 1.577 40.289 38.487 0.376 0.000 1.092 225 N HN 0.342 nan 8.380 nan 0.000 0.457 226 I N 2.081 122.809 120.570 0.264 0.000 2.447 226 I HA 0.247 4.424 4.170 0.012 0.000 0.287 226 I C -0.438 175.798 176.117 0.198 0.000 1.023 226 I CA -0.723 60.708 61.300 0.218 0.000 1.083 226 I CB 1.451 39.581 38.000 0.218 0.000 1.245 226 I HN 0.032 nan 8.210 nan 0.000 0.434 227 V N 9.123 129.103 119.914 0.109 0.000 2.334 227 V HA 0.293 4.420 4.120 0.012 0.000 0.281 227 V C -1.349 174.698 176.094 -0.078 0.000 1.016 227 V CA -1.015 61.281 62.300 -0.007 0.000 0.832 227 V CB 1.694 33.386 31.823 -0.218 0.000 0.999 227 V HN 0.560 nan 8.190 nan 0.000 0.439 228 P HA 0.108 nan 4.420 nan 0.000 0.224 228 P C 0.820 177.883 177.300 -0.395 0.000 1.157 228 P CA 1.361 64.390 63.100 -0.119 0.000 0.799 228 P CB 0.457 32.231 31.700 0.123 0.000 0.809 229 G N 0.618 108.891 108.800 -0.877 0.000 2.796 229 G HA2 -0.276 3.691 3.960 0.012 0.000 0.226 229 G HA3 -0.276 3.691 3.960 0.012 0.000 0.226 229 G C -0.789 173.286 174.900 -1.376 0.000 1.381 229 G CA -0.465 43.791 45.100 -1.408 0.000 0.867 229 G HN 0.282 nan 8.290 nan 0.000 0.552 230 F N 1.483 120.716 119.950 -1.195 0.000 2.546 230 F HA 0.466 5.000 4.527 0.011 0.000 0.388 230 F C 0.546 176.157 175.800 -0.316 0.000 1.051 230 F CA 0.979 58.568 58.000 -0.685 0.000 1.130 230 F CB 0.543 39.274 39.000 -0.448 0.000 1.044 230 F HN 0.688 nan 8.300 nan 0.000 0.553 231 E N 3.599 123.530 120.200 -0.448 0.000 2.274 231 E HA 0.248 4.605 4.350 0.012 0.000 0.269 231 E C -0.111 176.339 176.600 -0.250 0.000 0.891 231 E CA -0.338 55.862 56.400 -0.334 0.000 0.784 231 E CB 1.291 30.667 29.700 -0.540 0.000 1.225 231 E HN 0.495 nan 8.360 nan 0.000 0.412 232 T N 0.715 115.120 114.554 -0.249 0.000 3.044 232 T HA 0.264 4.621 4.350 0.012 0.000 0.260 232 T C -0.053 174.676 174.700 0.049 0.000 1.019 232 T CA -0.031 62.001 62.100 -0.114 0.000 0.921 232 T CB -0.250 68.232 68.868 -0.644 0.000 1.053 232 T HN 0.262 nan 8.240 nan 0.000 0.533 233 Y N 1.578 121.948 120.300 0.117 0.000 2.335 233 Y HA 0.524 5.081 4.550 0.011 0.000 0.339 233 Y C 1.314 177.305 175.900 0.151 0.000 0.987 233 Y CA -1.692 56.490 58.100 0.137 0.000 1.140 233 Y CB 1.123 39.587 38.460 0.006 0.000 1.173 233 Y HN -0.054 nan 8.280 nan 0.000 0.486 234 L N 2.124 123.607 121.223 0.433 0.000 2.083 234 L HA -0.137 4.210 4.340 0.012 0.000 0.209 234 L C 2.280 179.311 176.870 0.269 0.000 1.083 234 L CA 1.490 56.573 54.840 0.406 0.000 0.752 234 L CB -0.597 41.649 42.059 0.312 0.000 0.899 234 L HN 0.947 nan 8.230 nan 0.000 0.433 235 G N -0.055 108.848 108.800 0.172 0.000 2.448 235 G HA2 -0.245 3.722 3.960 0.012 0.000 0.219 235 G HA3 -0.245 3.722 3.960 0.012 0.000 0.219 235 G C 1.381 176.288 174.900 0.011 0.000 1.127 235 G CA 0.611 45.753 45.100 0.071 0.000 0.766 235 G HN 0.333 nan 8.290 nan 0.000 0.552 236 N N 0.540 119.217 118.700 -0.038 0.000 2.135 236 N HA -0.039 4.708 4.740 0.012 0.000 0.186 236 N C 1.817 177.220 175.510 -0.178 0.000 1.027 236 N CA 0.701 53.648 53.050 -0.172 0.000 0.849 236 N CB -0.536 37.794 38.487 -0.261 0.000 1.002 236 N HN 0.317 nan 8.380 nan 0.000 0.425 237 F N 1.243 121.200 119.950 0.011 0.000 2.126 237 F HA -0.079 4.455 4.527 0.012 0.000 0.299 237 F C 2.498 178.296 175.800 -0.004 0.000 1.096 237 F CA 0.970 58.971 58.000 0.002 0.000 1.255 237 F CB -0.450 38.561 39.000 0.018 0.000 0.997 237 F HN -0.068 nan 8.300 nan 0.000 0.479 238 R N -0.022 120.594 120.500 0.193 0.000 2.075 238 R HA -0.096 4.251 4.340 0.012 0.000 0.232 238 R C 2.352 178.677 176.300 0.040 0.000 1.126 238 R CA 0.997 57.163 56.100 0.110 0.000 0.963 238 R CB -0.877 29.479 30.300 0.093 0.000 0.858 238 R HN 0.236 nan 8.270 nan 0.000 0.435 239 V N 0.363 120.275 119.914 -0.003 0.000 2.453 239 V HA -0.161 3.966 4.120 0.012 0.000 0.247 239 V C 1.811 177.864 176.094 -0.068 0.000 1.048 239 V CA 1.353 63.626 62.300 -0.044 0.000 1.049 239 V CB -0.228 31.544 31.823 -0.085 0.000 0.672 239 V HN 0.235 nan 8.190 nan 0.000 0.457 240 I N 0.275 120.793 120.570 -0.086 0.000 2.142 240 I HA -0.209 3.967 4.170 0.012 0.000 0.240 240 I C 2.505 178.532 176.117 -0.151 0.000 1.078 240 I CA 1.784 63.019 61.300 -0.108 0.000 1.343 240 I CB -1.426 36.512 38.000 -0.103 0.000 1.046 240 I HN 0.365 nan 8.210 nan 0.000 0.405 241 K N -0.055 120.266 120.400 -0.132 0.000 2.103 241 K HA -0.185 4.142 4.320 0.012 0.000 0.207 241 K C 2.287 178.815 176.600 -0.120 0.000 1.048 241 K CA 0.840 56.999 56.287 -0.213 0.000 0.930 241 K CB -0.143 32.400 32.500 0.071 0.000 0.716 241 K HN 0.165 nan 8.250 nan 0.000 0.444 242 R N 1.220 121.697 120.500 -0.038 0.000 2.073 242 R HA -0.032 4.315 4.340 0.012 0.000 0.234 242 R C 2.124 178.416 176.300 -0.013 0.000 1.134 242 R CA 1.523 57.621 56.100 -0.004 0.000 0.952 242 R CB -0.249 30.055 30.300 0.007 0.000 0.850 242 R HN 0.245 nan 8.270 nan 0.000 0.433 243 M N 0.275 119.859 119.600 -0.026 0.000 2.175 243 M HA -0.128 4.359 4.480 0.012 0.000 0.264 243 M C 2.319 178.611 176.300 -0.013 0.000 1.063 243 M CA 1.310 56.612 55.300 0.004 0.000 1.119 243 M CB -0.158 32.458 32.600 0.028 0.000 1.377 243 M HN 0.102 nan 8.290 nan 0.000 0.415 244 L N -0.993 120.173 121.223 -0.094 0.000 2.056 244 L HA -0.156 4.191 4.340 0.012 0.000 0.207 244 L C 2.555 179.407 176.870 -0.031 0.000 1.078 244 L CA 0.939 55.698 54.840 -0.134 0.000 0.749 244 L CB -0.607 41.196 42.059 -0.427 0.000 0.901 244 L HN 0.239 nan 8.230 nan 0.000 0.433 245 S N -0.410 115.290 115.700 -0.001 0.000 2.368 245 S HA -0.187 4.290 4.470 0.012 0.000 0.225 245 S C 1.813 176.448 174.600 0.057 0.000 1.030 245 S CA 1.125 59.380 58.200 0.093 0.000 0.999 245 S CB -0.154 63.117 63.200 0.119 0.000 0.844 245 S HN 0.405 nan 8.310 nan 0.000 0.459 246 E N 0.739 120.961 120.200 0.036 0.000 2.097 246 E HA -0.128 4.229 4.350 0.012 0.000 0.196 246 E C 1.788 178.407 176.600 0.032 0.000 1.000 246 E CA 1.123 57.544 56.400 0.034 0.000 0.804 246 E CB -0.184 29.537 29.700 0.035 0.000 0.740 246 E HN 0.493 nan 8.360 nan 0.000 0.454 247 M N -0.870 118.746 119.600 0.026 0.000 2.619 247 M HA 0.033 4.520 4.480 0.012 0.000 0.251 247 M C 1.085 177.398 176.300 0.023 0.000 1.106 247 M CA 0.746 56.058 55.300 0.019 0.000 1.086 247 M CB 0.422 33.025 32.600 0.003 0.000 1.465 247 M HN 0.258 nan 8.290 nan 0.000 0.506 248 G N 1.356 110.178 108.800 0.037 0.000 2.221 248 G HA2 -0.203 3.763 3.960 0.012 0.000 0.265 248 G HA3 -0.203 3.763 3.960 0.012 0.000 0.265 248 G C -0.138 174.792 174.900 0.050 0.000 1.041 248 G CA -0.179 44.947 45.100 0.043 0.000 0.807 248 G HN 0.339 nan 8.290 nan 0.000 0.502 249 V N 0.793 120.746 119.914 0.065 0.000 2.385 249 V HA 0.631 4.758 4.120 0.012 0.000 0.269 249 V C 1.346 177.541 176.094 0.168 0.000 1.043 249 V CA -0.095 62.250 62.300 0.075 0.000 0.906 249 V CB 1.287 33.131 31.823 0.035 0.000 0.995 249 V HN 0.733 nan 8.190 nan 0.000 0.467 250 G N 4.998 113.869 108.800 0.117 0.000 2.365 250 G HA2 0.396 4.363 3.960 0.012 0.000 0.249 250 G HA3 0.396 4.363 3.960 0.012 0.000 0.249 250 G C -0.793 174.211 174.900 0.173 0.000 1.288 250 G CA 0.157 45.322 45.100 0.107 0.000 0.887 250 G HN 0.927 nan 8.290 nan 0.000 0.524 251 Y N -0.675 119.633 120.300 0.013 0.000 2.655 251 Y HA 0.776 5.333 4.550 0.012 0.000 0.336 251 Y C -0.585 175.337 175.900 0.037 0.000 1.154 251 Y CA -1.711 56.406 58.100 0.029 0.000 1.055 251 Y CB 1.587 40.074 38.460 0.045 0.000 1.295 251 Y HN 0.536 nan 8.280 nan 0.000 0.465 252 S N 2.466 118.245 115.700 0.133 0.000 2.775 252 S HA 0.456 4.933 4.470 0.012 0.000 0.277 252 S C -2.081 172.663 174.600 0.239 0.000 1.156 252 S CA -0.538 57.693 58.200 0.053 0.000 1.081 252 S CB 0.417 63.645 63.200 0.047 0.000 1.054 252 S HN 0.789 nan 8.310 nan 0.000 0.482 253 L N 6.554 127.935 121.223 0.264 0.000 2.315 253 L HA 0.544 4.891 4.340 0.012 0.000 0.283 253 L C -1.060 175.912 176.870 0.170 0.000 1.089 253 L CA 0.067 55.071 54.840 0.274 0.000 0.833 253 L CB 0.311 42.553 42.059 0.305 0.000 1.170 253 L HN 0.656 nan 8.230 nan 0.000 0.442 254 L N 5.500 126.870 121.223 0.246 0.000 2.262 254 L HA 0.427 4.774 4.340 0.012 0.000 0.288 254 L C 0.457 177.497 176.870 0.282 0.000 1.035 254 L CA -0.579 54.444 54.840 0.304 0.000 0.820 254 L CB 0.937 43.370 42.059 0.623 0.000 1.204 254 L HN 0.843 nan 8.230 nan 0.000 0.424 255 S N 2.397 117.942 115.700 -0.259 0.000 3.817 255 S HA -0.149 4.328 4.470 0.012 0.000 0.690 255 S C -0.743 173.735 174.600 -0.203 0.000 0.542 255 S CA -0.192 57.753 58.200 -0.424 0.000 1.437 255 S CB -0.557 62.716 63.200 0.122 0.000 0.843 255 S HN 0.830 nan 8.310 nan 0.000 0.992 256 D N 4.658 124.828 120.400 -0.383 0.000 2.438 256 D HA 0.465 5.112 4.640 0.012 0.000 0.257 256 D C -1.356 174.638 176.300 -0.511 0.000 1.148 256 D CA -1.873 51.858 54.000 -0.449 0.000 0.902 256 D CB 1.285 41.935 40.800 -0.250 0.000 1.062 256 D HN 0.290 nan 8.370 nan 0.000 0.518 257 P HA 0.038 nan 4.420 nan 0.000 0.257 257 P C 0.714 177.737 177.300 -0.461 0.000 1.281 257 P CA 0.204 63.007 63.100 -0.494 0.000 0.826 257 P CB 0.334 31.762 31.700 -0.454 0.000 1.237 258 E N 0.292 120.179 120.200 -0.522 0.000 2.204 258 E HA -0.195 4.162 4.350 0.012 0.000 0.195 258 E C 1.619 178.141 176.600 -0.130 0.000 0.990 258 E CA 1.180 57.431 56.400 -0.249 0.000 0.821 258 E CB -0.647 28.983 29.700 -0.116 0.000 0.750 258 E HN 0.099 nan 8.360 nan 0.000 0.477 259 E N 0.798 120.915 120.200 -0.139 0.000 2.028 259 E HA -0.108 4.249 4.350 0.012 0.000 0.190 259 E C 2.505 179.055 176.600 -0.084 0.000 0.984 259 E CA 1.698 58.049 56.400 -0.082 0.000 0.800 259 E CB -0.330 29.327 29.700 -0.071 0.000 0.758 259 E HN 0.432 nan 8.360 nan 0.000 0.448 260 V N 0.028 119.872 119.914 -0.117 0.000 2.490 260 V HA -0.155 3.971 4.120 0.012 0.000 0.250 260 V C 2.248 178.266 176.094 -0.127 0.000 1.061 260 V CA 1.310 63.546 62.300 -0.107 0.000 1.064 260 V CB -0.854 30.905 31.823 -0.107 0.000 0.670 260 V HN 0.095 nan 8.190 nan 0.000 0.461 261 L N 0.310 121.415 121.223 -0.198 0.000 2.645 261 L HA 0.341 4.688 4.340 0.012 0.000 0.234 261 L C 0.721 177.563 176.870 -0.046 0.000 1.165 261 L CA 0.562 55.254 54.840 -0.247 0.000 0.944 261 L CB -0.166 41.544 42.059 -0.581 0.000 1.149 261 L HN 0.357 nan 8.230 nan 0.000 0.446 262 D N -0.335 120.063 120.400 -0.003 0.000 3.279 262 D HA 0.013 4.660 4.640 0.012 0.000 0.336 262 D C 0.366 176.691 176.300 0.042 0.000 1.512 262 D CA -0.114 53.925 54.000 0.065 0.000 0.754 262 D CB 0.435 41.284 40.800 0.083 0.000 1.278 262 D HN 0.039 nan 8.370 nan 0.000 0.553 263 T N -0.370 114.203 114.554 0.032 0.000 2.926 263 T HA 0.484 4.841 4.350 0.012 0.000 0.307 263 T C -1.965 172.762 174.700 0.045 0.000 1.059 263 T CA -1.063 61.053 62.100 0.026 0.000 1.122 263 T CB 1.074 69.952 68.868 0.017 0.000 0.972 263 T HN 0.014 nan 8.240 nan 0.000 0.545 264 P HA 0.376 nan 4.420 nan 0.000 0.279 264 P C -0.871 176.459 177.300 0.051 0.000 1.239 264 P CA -0.666 62.457 63.100 0.039 0.000 0.789 264 P CB 0.592 32.307 31.700 0.026 0.000 0.933 265 A N 2.746 125.598 122.820 0.053 0.000 2.666 265 A HA 0.273 4.600 4.320 0.012 0.000 0.312 265 A C 0.493 178.105 177.584 0.047 0.000 1.471 265 A CA -0.286 51.787 52.037 0.059 0.000 1.134 265 A CB -0.720 18.316 19.000 0.060 0.000 1.129 265 A HN 0.607 nan 8.150 nan 0.000 0.539 266 D N 1.258 121.686 120.400 0.047 0.000 2.582 266 D HA 0.279 4.926 4.640 0.012 0.000 0.246 266 D C 0.800 177.123 176.300 0.039 0.000 1.334 266 D CA 0.521 54.543 54.000 0.037 0.000 0.805 266 D CB -0.219 40.599 40.800 0.029 0.000 1.087 266 D HN 1.056 nan 8.370 nan 0.000 0.499 267 G N 1.003 109.832 108.800 0.048 0.000 2.184 267 G HA2 -0.213 3.754 3.960 0.012 0.000 0.206 267 G HA3 -0.213 3.754 3.960 0.012 0.000 0.206 267 G C -0.075 174.862 174.900 0.061 0.000 0.995 267 G CA 0.175 45.304 45.100 0.049 0.000 0.651 267 G HN 0.730 nan 8.290 nan 0.000 0.511 268 Q N -0.909 118.934 119.800 0.072 0.000 2.345 268 Q HA 0.702 5.049 4.340 0.012 0.000 0.275 268 Q C -1.021 175.060 176.000 0.135 0.000 1.063 268 Q CA -1.366 54.493 55.803 0.092 0.000 0.819 268 Q CB 1.812 30.583 28.738 0.055 0.000 1.356 268 Q HN 0.656 nan 8.270 nan 0.000 0.418 269 F N 2.519 122.476 119.950 0.012 0.000 2.424 269 F HA 0.446 4.980 4.527 0.012 0.000 0.356 269 F C -0.685 175.113 175.800 -0.003 0.000 1.110 269 F CA -0.564 57.438 58.000 0.003 0.000 1.161 269 F CB 0.914 39.915 39.000 0.002 0.000 1.115 269 F HN 0.568 nan 8.300 nan 0.000 0.507 270 R N 7.592 127.771 120.500 -0.535 0.000 2.233 270 R HA 0.206 4.553 4.340 0.012 0.000 0.334 270 R C 1.257 176.976 176.300 -0.969 0.000 1.037 270 R CA -0.355 55.389 56.100 -0.592 0.000 0.920 270 R CB 1.077 31.234 30.300 -0.238 0.000 1.137 270 R HN 0.957 nan 8.270 nan 0.000 0.492 271 M N 2.489 121.340 119.600 -1.250 0.000 2.065 271 M HA -0.126 4.361 4.480 0.012 0.000 0.259 271 M C -0.440 175.449 176.300 -0.685 0.000 1.069 271 M CA 1.882 56.558 55.300 -1.040 0.000 1.110 271 M CB 0.277 32.314 32.600 -0.937 0.000 1.328 271 M HN 0.373 nan 8.290 nan 0.000 0.405 272 Y N -0.308 119.881 120.300 -0.186 0.000 2.420 272 Y HA 0.694 5.251 4.550 0.012 0.000 0.334 272 Y C -0.316 175.519 175.900 -0.109 0.000 1.094 272 Y CA -1.123 56.916 58.100 -0.103 0.000 1.126 272 Y CB 1.329 39.759 38.460 -0.050 0.000 1.217 272 Y HN 0.134 nan 8.280 nan 0.000 0.462 273 A N 1.122 123.984 122.820 0.070 0.000 2.555 273 A HA 0.658 4.985 4.320 0.012 0.000 0.297 273 A C 0.214 177.787 177.584 -0.018 0.000 1.060 273 A CA -0.260 51.779 52.037 0.004 0.000 0.710 273 A CB 0.606 19.585 19.000 -0.035 0.000 1.282 273 A HN 1.524 nan 8.150 nan 0.000 0.399 274 G N 1.317 110.101 108.800 -0.026 0.000 2.614 274 G HA2 0.427 4.394 3.960 0.012 0.000 0.303 274 G HA3 0.427 4.394 3.960 0.012 0.000 0.303 274 G C 1.604 176.466 174.900 -0.063 0.000 1.270 274 G CA 1.503 46.574 45.100 -0.048 0.000 0.988 274 G HN 3.238 nan 8.290 nan 0.000 0.551 275 G N -3.675 105.064 108.800 -0.103 0.000 2.699 275 G HA2 0.363 4.330 3.960 0.012 0.000 0.686 275 G HA3 0.363 4.330 3.960 0.012 0.000 0.686 275 G C -0.125 174.691 174.900 -0.140 0.000 1.301 275 G CA 0.379 45.393 45.100 -0.143 0.000 0.816 275 G HN 1.957 nan 8.290 nan 0.000 0.595 276 T N 1.966 116.385 114.554 -0.226 0.000 2.799 276 T HA 0.490 4.847 4.350 0.012 0.000 0.296 276 T C 1.357 176.033 174.700 -0.039 0.000 0.947 276 T CA 0.798 62.795 62.100 -0.171 0.000 1.141 276 T CB 0.460 69.129 68.868 -0.331 0.000 0.891 276 T HN 1.394 nan 8.240 nan 0.000 0.533 277 T N 2.030 116.550 114.554 -0.056 0.000 2.860 277 T HA 0.145 4.502 4.350 0.012 0.000 0.299 277 T C 1.366 175.985 174.700 -0.135 0.000 1.045 277 T CA -0.688 61.368 62.100 -0.073 0.000 1.071 277 T CB 0.839 69.657 68.868 -0.084 0.000 0.985 277 T HN 0.600 nan 8.240 nan 0.000 0.537 278 Q N 0.489 120.154 119.800 -0.225 0.000 2.170 278 Q HA -0.147 4.200 4.340 0.012 0.000 0.203 278 Q C 2.113 177.869 176.000 -0.406 0.000 0.976 278 Q CA 1.743 57.236 55.803 -0.516 0.000 0.858 278 Q CB -0.158 28.350 28.738 -0.384 0.000 0.907 278 Q HN 0.789 nan 8.270 nan 0.000 0.433 279 E N 0.941 121.018 120.200 -0.205 0.000 2.106 279 E HA -0.163 4.194 4.350 0.012 0.000 0.192 279 E C 1.610 178.132 176.600 -0.130 0.000 0.984 279 E CA 0.959 57.278 56.400 -0.136 0.000 0.806 279 E CB 0.021 29.667 29.700 -0.089 0.000 0.750 279 E HN 0.356 nan 8.360 nan 0.000 0.458 280 E N -0.237 119.889 120.200 -0.124 0.000 2.072 280 E HA -0.142 4.215 4.350 0.012 0.000 0.191 280 E C 1.850 178.402 176.600 -0.080 0.000 0.985 280 E CA 0.892 57.240 56.400 -0.087 0.000 0.801 280 E CB -0.009 29.656 29.700 -0.059 0.000 0.750 280 E HN 0.203 nan 8.360 nan 0.000 0.452 281 M N 0.659 120.184 119.600 -0.125 0.000 2.132 281 M HA -0.124 4.363 4.480 0.012 0.000 0.263 281 M C 1.921 178.171 176.300 -0.083 0.000 1.065 281 M CA 1.476 56.724 55.300 -0.086 0.000 1.122 281 M CB -0.579 31.869 32.600 -0.254 0.000 1.365 281 M HN -0.018 nan 8.290 nan 0.000 0.411 282 K N -0.281 120.039 120.400 -0.134 0.000 2.147 282 K HA -0.181 4.146 4.320 0.012 0.000 0.205 282 K C 1.430 177.963 176.600 -0.111 0.000 1.049 282 K CA 1.433 57.692 56.287 -0.047 0.000 0.936 282 K CB -0.155 32.331 32.500 -0.023 0.000 0.722 282 K HN 0.223 nan 8.250 nan 0.000 0.446 283 D N 0.089 120.410 120.400 -0.132 0.000 2.348 283 D HA 0.076 4.723 4.640 0.012 0.000 0.211 283 D C 1.571 177.745 176.300 -0.210 0.000 0.998 283 D CA 0.425 54.340 54.000 -0.143 0.000 0.873 283 D CB 0.233 40.972 40.800 -0.101 0.000 0.925 283 D HN 0.134 nan 8.370 nan 0.000 0.524 284 A N 1.314 123.966 122.820 -0.280 0.000 1.927 284 A HA -0.143 4.184 4.320 0.012 0.000 0.220 284 A C -0.228 176.998 177.584 -0.596 0.000 1.185 284 A CA 1.390 53.200 52.037 -0.379 0.000 0.639 284 A CB -1.641 17.115 19.000 -0.407 0.000 0.820 284 A HN 0.277 nan 8.150 nan 0.000 0.451 285 P HA -0.099 nan 4.420 nan 0.000 0.222 285 P C 0.475 177.664 177.300 -0.184 0.000 1.147 285 P CA 1.317 63.917 63.100 -0.833 0.000 0.790 285 P CB -0.370 30.795 31.700 -0.892 0.000 0.780 286 N N -0.687 117.923 118.700 -0.150 0.000 2.515 286 N HA 0.063 4.810 4.740 0.012 0.000 0.185 286 N C 0.676 176.184 175.510 -0.003 0.000 1.109 286 N CA -0.167 52.855 53.050 -0.048 0.000 0.903 286 N CB -0.239 38.205 38.487 -0.071 0.000 0.969 286 N HN 0.113 nan 8.380 nan 0.000 0.450 287 A N 0.261 123.092 122.820 0.019 0.000 2.448 287 A HA 0.114 4.441 4.320 0.012 0.000 0.239 287 A C 1.265 178.750 177.584 -0.164 0.000 1.080 287 A CA -0.217 51.795 52.037 -0.041 0.000 0.779 287 A CB 0.230 19.228 19.000 -0.003 0.000 1.026 287 A HN 0.199 nan 8.150 nan 0.000 0.499 288 L N 0.281 121.404 121.223 -0.166 0.000 2.046 288 L HA -0.070 4.277 4.340 0.012 0.000 0.208 288 L C 1.060 177.717 176.870 -0.355 0.000 1.077 288 L CA 1.336 56.066 54.840 -0.182 0.000 0.747 288 L CB -0.312 41.684 42.059 -0.105 0.000 0.896 288 L HN 0.824 nan 8.230 nan 0.000 0.432 289 N N -2.509 115.913 118.700 -0.463 0.000 3.348 289 N HA 0.205 4.952 4.740 0.012 0.000 0.233 289 N C -1.456 173.944 175.510 -0.184 0.000 1.440 289 N CA -0.377 52.409 53.050 -0.440 0.000 0.887 289 N CB 1.693 40.087 38.487 -0.155 0.000 1.410 289 N HN -0.343 nan 8.380 nan 0.000 0.502 290 T N 0.436 115.038 114.554 0.079 0.000 2.824 290 T HA 0.536 4.893 4.350 0.012 0.000 0.282 290 T C -0.743 174.043 174.700 0.143 0.000 0.993 290 T CA -0.365 61.880 62.100 0.242 0.000 0.967 290 T CB 1.340 70.492 68.868 0.473 0.000 0.960 290 T HN 0.176 nan 8.240 nan 0.000 0.441 291 V N 4.998 124.990 119.914 0.129 0.000 2.398 291 V HA 0.435 4.562 4.120 0.012 0.000 0.286 291 V C -0.221 175.923 176.094 0.084 0.000 1.026 291 V CA -0.842 61.516 62.300 0.097 0.000 0.868 291 V CB 1.328 33.223 31.823 0.119 0.000 0.982 291 V HN 0.721 nan 8.190 nan 0.000 0.443 292 L N 5.901 127.139 121.223 0.025 0.000 2.255 292 L HA 0.387 4.734 4.340 0.012 0.000 0.289 292 L C 1.097 177.925 176.870 -0.071 0.000 1.046 292 L CA -0.325 54.486 54.840 -0.050 0.000 0.816 292 L CB 1.053 43.054 42.059 -0.096 0.000 1.197 292 L HN 0.609 nan 8.230 nan 0.000 0.427 293 L N 2.387 123.553 121.223 -0.094 0.000 2.291 293 L HA -0.055 4.291 4.340 0.012 0.000 0.214 293 L C 0.726 177.505 176.870 -0.152 0.000 1.120 293 L CA 1.156 55.921 54.840 -0.126 0.000 0.799 293 L CB -0.163 41.799 42.059 -0.162 0.000 0.925 293 L HN 0.721 nan 8.230 nan 0.000 0.446 294 Q N -0.213 119.452 119.800 -0.225 0.000 3.300 294 Q HA 0.178 4.524 4.340 0.012 0.000 0.271 294 Q C -1.814 173.980 176.000 -0.343 0.000 0.926 294 Q CA -1.327 54.324 55.803 -0.254 0.000 0.788 294 Q CB 1.413 29.952 28.738 -0.332 0.000 1.385 294 Q HN 0.040 nan 8.270 nan 0.000 0.424 295 P HA -0.153 nan 4.420 nan 0.000 0.220 295 P C 0.462 177.607 177.300 -0.259 0.000 1.148 295 P CA 0.971 63.914 63.100 -0.262 0.000 0.803 295 P CB 0.167 31.682 31.700 -0.309 0.000 0.782 296 W N 0.581 121.828 121.300 -0.088 0.000 2.595 296 W HA -0.051 4.616 4.660 0.012 0.000 0.257 296 W C 2.223 178.746 176.519 0.007 0.000 1.267 296 W CA 0.776 58.127 57.345 0.009 0.000 1.300 296 W CB -0.587 28.943 29.460 0.117 0.000 1.120 296 W HN 0.257 nan 8.180 nan 0.000 0.618 297 H N -2.106 117.040 119.070 0.127 0.000 2.581 297 H HA 0.340 4.903 4.556 0.012 0.000 0.275 297 H C 0.428 175.782 175.328 0.042 0.000 1.126 297 H CA -0.074 56.004 56.048 0.050 0.000 1.097 297 H CB -0.422 29.328 29.762 -0.020 0.000 1.626 297 H HN 0.171 nan 8.280 nan 0.000 0.565 298 L N 1.482 122.643 121.223 -0.103 0.000 3.209 298 L HA 0.176 4.523 4.340 0.012 0.000 0.279 298 L C 1.104 177.962 176.870 -0.020 0.000 1.301 298 L CA -0.190 54.619 54.840 -0.052 0.000 1.004 298 L CB 0.789 42.743 42.059 -0.174 0.000 1.402 298 L HN 0.083 nan 8.230 nan 0.000 0.577 299 E N 0.805 121.008 120.200 0.005 0.000 2.047 299 E HA -0.227 4.130 4.350 0.012 0.000 0.191 299 E C 1.765 178.377 176.600 0.020 0.000 0.987 299 E CA 1.093 57.487 56.400 -0.010 0.000 0.799 299 E CB 0.237 29.944 29.700 0.012 0.000 0.752 299 E HN 0.402 nan 8.360 nan 0.000 0.449 300 K N 0.471 120.904 120.400 0.055 0.000 2.026 300 K HA -0.105 4.222 4.320 0.012 0.000 0.208 300 K C 2.207 178.857 176.600 0.083 0.000 1.048 300 K CA 1.657 57.982 56.287 0.063 0.000 0.929 300 K CB -0.040 32.499 32.500 0.066 0.000 0.713 300 K HN -0.000 nan 8.250 nan 0.000 0.439 301 T N 1.140 115.763 114.554 0.115 0.000 2.759 301 T HA -0.171 4.185 4.350 0.012 0.000 0.269 301 T C 1.708 176.464 174.700 0.092 0.000 1.042 301 T CA 1.543 63.739 62.100 0.160 0.000 1.140 301 T CB -0.100 68.910 68.868 0.237 0.000 0.864 301 T HN 0.322 nan 8.240 nan 0.000 0.455 302 K N 1.045 121.467 120.400 0.037 0.000 2.026 302 K HA -0.117 4.210 4.320 0.012 0.000 0.208 302 K C 2.262 178.856 176.600 -0.010 0.000 1.048 302 K CA 1.322 57.607 56.287 -0.003 0.000 0.929 302 K CB -0.041 32.434 32.500 -0.042 0.000 0.713 302 K HN 0.220 nan 8.250 nan 0.000 0.439 303 K N -0.326 120.079 120.400 0.008 0.000 2.097 303 K HA -0.171 4.156 4.320 0.012 0.000 0.206 303 K C 2.042 178.639 176.600 -0.006 0.000 1.049 303 K CA 1.583 57.872 56.287 0.003 0.000 0.933 303 K CB -0.257 32.256 32.500 0.022 0.000 0.717 303 K HN 0.151 nan 8.250 nan 0.000 0.442 304 F N 1.365 121.232 119.950 -0.137 0.000 2.113 304 F HA -0.187 4.347 4.527 0.012 0.000 0.297 304 F C 1.958 177.538 175.800 -0.368 0.000 1.103 304 F CA 1.024 58.890 58.000 -0.222 0.000 1.248 304 F CB -0.267 38.585 39.000 -0.247 0.000 0.999 304 F HN -0.294 nan 8.300 nan 0.000 0.475 305 V N 0.625 120.320 119.914 -0.365 0.000 2.332 305 V HA -0.305 3.822 4.120 0.012 0.000 0.248 305 V C 2.265 178.198 176.094 -0.268 0.000 1.055 305 V CA 2.396 64.384 62.300 -0.520 0.000 1.038 305 V CB -0.699 31.003 31.823 -0.202 0.000 0.651 305 V HN 0.377 nan 8.190 nan 0.000 0.450 306 E N 0.072 120.185 120.200 -0.145 0.000 2.072 306 E HA -0.099 4.258 4.350 0.012 0.000 0.190 306 E C 2.330 178.861 176.600 -0.115 0.000 0.982 306 E CA 1.146 57.502 56.400 -0.072 0.000 0.803 306 E CB -0.437 29.241 29.700 -0.038 0.000 0.755 306 E HN 0.635 nan 8.360 nan 0.000 0.453 307 G N 0.166 108.863 108.800 -0.172 0.000 2.421 307 G HA2 -0.173 3.794 3.960 0.012 0.000 0.217 307 G HA3 -0.173 3.794 3.960 0.012 0.000 0.217 307 G C 1.504 176.273 174.900 -0.217 0.000 1.143 307 G CA 1.172 46.177 45.100 -0.159 0.000 0.784 307 G HN 0.165 nan 8.290 nan 0.000 0.541 308 T N -0.908 113.398 114.554 -0.414 0.000 3.087 308 T HA 0.039 4.396 4.350 0.012 0.000 0.237 308 T C 1.876 176.492 174.700 -0.139 0.000 0.990 308 T CA 0.156 62.024 62.100 -0.387 0.000 1.160 308 T CB -0.061 68.298 68.868 -0.848 0.000 0.923 308 T HN 0.317 nan 8.240 nan 0.000 0.442 309 W N 2.159 123.170 121.300 -0.482 0.000 2.519 309 W HA 0.275 4.942 4.660 0.012 0.000 0.266 309 W C 0.551 176.849 176.519 -0.368 0.000 1.253 309 W CA -0.038 57.026 57.345 -0.468 0.000 1.274 309 W CB -0.433 28.606 29.460 -0.703 0.000 1.114 309 W HN 0.176 nan 8.180 nan 0.000 0.596 310 K N -0.442 119.942 120.400 -0.026 0.000 3.192 310 K HA -0.245 4.082 4.320 0.012 0.000 0.278 310 K C -0.560 176.146 176.600 0.177 0.000 1.164 310 K CA 0.768 57.079 56.287 0.041 0.000 0.816 310 K CB -2.678 29.846 32.500 0.040 0.000 1.256 310 K HN 0.449 nan 8.250 nan 0.000 0.497 311 H N 1.296 120.434 119.070 0.113 0.000 2.527 311 H HA 0.152 4.715 4.556 0.012 0.000 0.321 311 H C 0.742 176.103 175.328 0.054 0.000 1.087 311 H CA -0.611 55.500 56.048 0.104 0.000 1.337 311 H CB 0.801 30.672 29.762 0.182 0.000 1.440 311 H HN 0.159 nan 8.280 nan 0.000 0.490 312 E N 3.382 123.672 120.200 0.149 0.000 1.856 312 E HA 0.129 4.486 4.350 0.012 0.000 0.263 312 E C -0.475 176.156 176.600 0.052 0.000 1.137 312 E CA -0.449 55.994 56.400 0.070 0.000 1.007 312 E CB 0.224 29.946 29.700 0.037 0.000 1.117 312 E HN 0.225 nan 8.360 nan 0.000 0.438 313 V N 4.371 124.323 119.914 0.063 0.000 2.539 313 V HA -0.018 4.109 4.120 0.012 0.000 0.300 313 V C -1.737 174.355 176.094 -0.003 0.000 1.019 313 V CA -0.734 61.591 62.300 0.042 0.000 1.160 313 V CB -0.395 31.448 31.823 0.034 0.000 0.901 313 V HN 0.614 nan 8.190 nan 0.000 0.481 314 P HA 0.190 nan 4.420 nan 0.000 0.271 314 P C -0.522 176.747 177.300 -0.052 0.000 1.216 314 P CA -0.653 62.427 63.100 -0.032 0.000 0.776 314 P CB 0.501 32.179 31.700 -0.038 0.000 0.881 315 K N 2.987 123.349 120.400 -0.064 0.000 2.228 315 K HA 0.298 4.625 4.320 0.012 0.000 0.284 315 K C -0.855 175.684 176.600 -0.101 0.000 1.088 315 K CA 0.322 56.552 56.287 -0.094 0.000 0.941 315 K CB -1.148 31.299 32.500 -0.088 0.000 1.158 315 K HN 0.399 nan 8.250 nan 0.000 0.438 316 L N 3.576 124.731 121.223 -0.114 0.000 2.385 316 L HA 0.416 4.763 4.340 0.012 0.000 0.273 316 L C -0.113 176.635 176.870 -0.204 0.000 0.990 316 L CA -1.077 53.692 54.840 -0.119 0.000 0.821 316 L CB 2.159 44.210 42.059 -0.013 0.000 1.279 316 L HN 0.557 nan 8.230 nan 0.000 0.412 317 N N 1.706 120.173 118.700 -0.387 0.000 2.399 317 N HA 0.259 5.006 4.740 0.012 0.000 0.250 317 N C -0.031 175.306 175.510 -0.287 0.000 1.272 317 N CA -0.467 52.235 53.050 -0.581 0.000 0.928 317 N CB 0.891 38.373 38.487 -1.675 0.000 1.158 317 N HN 0.493 nan 8.380 nan 0.000 0.463 318 I N 2.120 122.599 120.570 -0.152 0.000 2.826 318 I HA -0.017 4.160 4.170 0.012 0.000 0.295 318 I C -1.846 174.300 176.117 0.048 0.000 1.213 318 I CA -1.222 60.069 61.300 -0.015 0.000 1.436 318 I CB 0.629 38.688 38.000 0.099 0.000 1.348 318 I HN 0.450 nan 8.210 nan 0.000 0.570 319 P HA 0.126 nan 4.420 nan 0.000 0.249 319 P C -0.965 176.260 177.300 -0.124 0.000 1.737 319 P CA 0.419 63.417 63.100 -0.170 0.000 1.128 319 P CB -0.083 31.216 31.700 -0.667 0.000 1.942 320 M N 1.583 121.220 119.600 0.060 0.000 2.393 320 M HA 0.558 5.045 4.480 0.012 0.000 0.299 320 M C 0.543 176.756 176.300 -0.144 0.000 1.103 320 M CA 0.050 55.308 55.300 -0.070 0.000 0.910 320 M CB 2.727 35.324 32.600 -0.004 0.000 1.659 320 M HN 0.430 nan 8.290 nan 0.000 0.445 321 G N 1.273 109.849 108.800 -0.372 0.000 2.741 321 G HA2 -0.221 3.746 3.960 0.012 0.000 0.222 321 G HA3 -0.221 3.746 3.960 0.012 0.000 0.222 321 G C -0.271 174.547 174.900 -0.137 0.000 1.364 321 G CA -0.170 44.703 45.100 -0.379 0.000 0.866 321 G HN 0.693 nan 8.290 nan 0.000 0.555 322 L N -0.252 120.986 121.223 0.025 0.000 1.993 322 L HA 0.179 4.526 4.340 0.012 0.000 0.206 322 L C 2.538 179.486 176.870 0.130 0.000 1.074 322 L CA 2.964 57.885 54.840 0.135 0.000 0.746 322 L CB -0.920 41.222 42.059 0.140 0.000 0.896 322 L HN 0.652 nan 8.230 nan 0.000 0.435 323 D N -1.077 119.354 120.400 0.052 0.000 2.092 323 D HA -0.227 4.420 4.640 0.012 0.000 0.193 323 D C 1.972 178.439 176.300 0.278 0.000 0.994 323 D CA 1.416 55.487 54.000 0.118 0.000 0.828 323 D CB -0.346 40.484 40.800 0.050 0.000 0.963 323 D HN 0.403 nan 8.370 nan 0.000 0.450 324 W N 0.999 122.321 121.300 0.037 0.000 2.519 324 W HA 0.037 4.704 4.660 0.012 0.000 0.266 324 W C 2.217 178.737 176.519 0.003 0.000 1.253 324 W CA 0.578 57.937 57.345 0.023 0.000 1.274 324 W CB -1.329 28.134 29.460 0.004 0.000 1.114 324 W HN -0.027 nan 8.180 nan 0.000 0.596 325 T N -0.047 114.591 114.554 0.140 0.000 2.851 325 T HA -0.132 4.225 4.350 0.012 0.000 0.262 325 T C 1.206 175.948 174.700 0.070 0.000 1.043 325 T CA 1.589 63.657 62.100 -0.053 0.000 1.140 325 T CB -0.241 68.341 68.868 -0.476 0.000 0.872 325 T HN -0.077 nan 8.240 nan 0.000 0.446 326 D N 1.523 122.026 120.400 0.170 0.000 2.092 326 D HA -0.095 4.552 4.640 0.012 0.000 0.193 326 D C 2.199 178.593 176.300 0.157 0.000 0.994 326 D CA 1.131 55.254 54.000 0.205 0.000 0.828 326 D CB -0.307 40.611 40.800 0.198 0.000 0.963 326 D HN 0.498 nan 8.370 nan 0.000 0.450 327 E N -0.364 119.940 120.200 0.174 0.000 2.058 327 E HA -0.187 4.170 4.350 0.012 0.000 0.194 327 E C 1.990 178.655 176.600 0.109 0.000 0.997 327 E CA 0.612 57.093 56.400 0.134 0.000 0.801 327 E CB -0.268 29.525 29.700 0.154 0.000 0.746 327 E HN 0.241 nan 8.360 nan 0.000 0.450 328 F N 1.504 121.454 119.950 0.001 0.000 2.069 328 F HA -0.220 4.315 4.527 0.012 0.000 0.298 328 F C 1.954 177.734 175.800 -0.033 0.000 1.113 328 F CA 1.474 59.453 58.000 -0.035 0.000 1.214 328 F CB -0.204 38.759 39.000 -0.061 0.000 0.978 328 F HN -0.084 nan 8.300 nan 0.000 0.474 329 L N -0.514 120.709 121.223 -0.001 0.000 2.093 329 L HA -0.238 4.109 4.340 0.012 0.000 0.208 329 L C 2.562 179.369 176.870 -0.106 0.000 1.085 329 L CA 1.414 56.199 54.840 -0.091 0.000 0.755 329 L CB -0.612 41.491 42.059 0.074 0.000 0.904 329 L HN 0.257 nan 8.230 nan 0.000 0.435 330 M N -0.551 119.025 119.600 -0.040 0.000 2.175 330 M HA -0.186 4.301 4.480 0.012 0.000 0.264 330 M C 2.316 178.571 176.300 -0.075 0.000 1.063 330 M CA 1.404 56.684 55.300 -0.033 0.000 1.119 330 M CB -0.200 32.405 32.600 0.009 0.000 1.377 330 M HN 0.020 nan 8.290 nan 0.000 0.415 331 K N 0.759 121.093 120.400 -0.110 0.000 2.025 331 K HA -0.069 4.258 4.320 0.012 0.000 0.207 331 K C 1.567 178.058 176.600 -0.182 0.000 1.049 331 K CA 1.442 57.650 56.287 -0.130 0.000 0.933 331 K CB -0.748 31.673 32.500 -0.130 0.000 0.714 331 K HN 0.113 nan 8.250 nan 0.000 0.438 332 V N 0.741 120.470 119.914 -0.308 0.000 2.324 332 V HA -0.266 3.861 4.120 0.012 0.000 0.250 332 V C 2.463 178.457 176.094 -0.168 0.000 1.060 332 V CA 2.202 64.319 62.300 -0.304 0.000 1.042 332 V CB -0.805 30.732 31.823 -0.476 0.000 0.650 332 V HN 0.546 nan 8.190 nan 0.000 0.450 333 S N -0.832 114.788 115.700 -0.134 0.000 2.368 333 S HA -0.281 4.196 4.470 0.012 0.000 0.225 333 S C 2.101 176.665 174.600 -0.060 0.000 1.030 333 S CA 2.115 60.270 58.200 -0.075 0.000 0.999 333 S CB -0.288 62.881 63.200 -0.051 0.000 0.844 333 S HN 0.749 nan 8.310 nan 0.000 0.459 334 E N 0.180 120.342 120.200 -0.063 0.000 2.051 334 E HA -0.134 4.223 4.350 0.012 0.000 0.192 334 E C 2.064 178.634 176.600 -0.050 0.000 0.991 334 E CA 1.554 57.925 56.400 -0.048 0.000 0.799 334 E CB -0.274 29.398 29.700 -0.046 0.000 0.748 334 E HN 0.667 nan 8.360 nan 0.000 0.449 335 I N 1.030 121.561 120.570 -0.066 0.000 2.252 335 I HA -0.242 3.935 4.170 0.012 0.000 0.245 335 I C 2.670 178.754 176.117 -0.054 0.000 1.102 335 I CA 1.459 62.721 61.300 -0.064 0.000 1.385 335 I CB -0.255 37.696 38.000 -0.081 0.000 1.064 335 I HN 0.192 nan 8.210 nan 0.000 0.414 336 S N 0.130 115.797 115.700 -0.055 0.000 2.478 336 S HA 0.132 4.609 4.470 0.012 0.000 0.222 336 S C 1.807 176.390 174.600 -0.028 0.000 1.008 336 S CA 0.466 58.643 58.200 -0.038 0.000 0.928 336 S CB 0.232 63.410 63.200 -0.037 0.000 0.781 336 S HN 0.591 nan 8.310 nan 0.000 0.518 337 G N 0.797 109.579 108.800 -0.030 0.000 2.155 337 G HA2 -0.219 3.748 3.960 0.012 0.000 0.257 337 G HA3 -0.219 3.748 3.960 0.012 0.000 0.257 337 G C -0.137 174.753 174.900 -0.016 0.000 0.983 337 G CA 0.232 45.319 45.100 -0.021 0.000 0.676 337 G HN 0.539 nan 8.290 nan 0.000 0.528 338 Q N 0.351 120.140 119.800 -0.019 0.000 2.243 338 Q HA 0.456 4.803 4.340 0.012 0.000 0.252 338 Q C -2.293 173.700 176.000 -0.012 0.000 0.909 338 Q CA -1.732 54.064 55.803 -0.011 0.000 0.922 338 Q CB 1.752 30.485 28.738 -0.008 0.000 1.215 338 Q HN 0.269 nan 8.270 nan 0.000 0.427 339 P HA 0.247 nan 4.420 nan 0.000 0.278 339 P C -0.214 177.088 177.300 0.004 0.000 1.238 339 P CA -0.339 62.760 63.100 -0.001 0.000 0.794 339 P CB 0.620 32.321 31.700 0.002 0.000 0.955 340 I N 4.229 124.804 120.570 0.009 0.000 2.505 340 I HA 0.097 4.274 4.170 0.012 0.000 0.287 340 I C -1.365 174.767 176.117 0.025 0.000 1.104 340 I CA -1.472 59.841 61.300 0.023 0.000 1.387 340 I CB -0.089 37.934 38.000 0.038 0.000 1.404 340 I HN 0.253 nan 8.210 nan 0.000 0.528 341 P HA 0.098 nan 4.420 nan 0.000 0.274 341 P C 0.392 177.705 177.300 0.022 0.000 1.256 341 P CA -0.403 62.710 63.100 0.023 0.000 0.795 341 P CB 0.945 32.660 31.700 0.025 0.000 1.038 342 A N 1.303 124.131 122.820 0.013 0.000 1.972 342 A HA -0.168 4.159 4.320 0.012 0.000 0.219 342 A C 2.252 179.839 177.584 0.005 0.000 1.169 342 A CA 2.123 54.164 52.037 0.006 0.000 0.635 342 A CB -1.622 17.379 19.000 0.002 0.000 0.810 342 A HN 0.685 nan 8.150 nan 0.000 0.446 343 S N 0.142 115.851 115.700 0.014 0.000 2.368 343 S HA -0.102 4.375 4.470 0.012 0.000 0.225 343 S C 1.853 176.467 174.600 0.024 0.000 1.030 343 S CA 1.470 59.680 58.200 0.016 0.000 0.999 343 S CB -0.708 62.506 63.200 0.023 0.000 0.844 343 S HN 0.451 nan 8.310 nan 0.000 0.459 344 L N 1.164 122.416 121.223 0.049 0.000 2.156 344 L HA -0.049 4.298 4.340 0.012 0.000 0.208 344 L C 2.906 179.790 176.870 0.023 0.000 1.095 344 L CA 1.382 56.281 54.840 0.098 0.000 0.770 344 L CB -1.087 41.067 42.059 0.158 0.000 0.914 344 L HN 0.388 nan 8.230 nan 0.000 0.439 345 T N -0.501 114.052 114.554 -0.002 0.000 2.708 345 T HA -0.248 4.109 4.350 0.012 0.000 0.266 345 T C 1.893 176.531 174.700 -0.104 0.000 1.037 345 T CA 1.549 63.618 62.100 -0.052 0.000 1.146 345 T CB -0.075 68.779 68.868 -0.022 0.000 0.865 345 T HN 0.222 nan 8.240 nan 0.000 0.435 346 K N 1.088 121.447 120.400 -0.069 0.000 2.026 346 K HA -0.151 4.176 4.320 0.012 0.000 0.208 346 K C 2.364 178.897 176.600 -0.110 0.000 1.048 346 K CA 1.635 57.879 56.287 -0.072 0.000 0.929 346 K CB -0.116 32.361 32.500 -0.038 0.000 0.713 346 K HN 0.382 nan 8.250 nan 0.000 0.439 347 E N 0.459 120.595 120.200 -0.107 0.000 2.085 347 E HA -0.267 4.090 4.350 0.012 0.000 0.194 347 E C 2.189 178.590 176.600 -0.332 0.000 0.994 347 E CA 1.171 57.498 56.400 -0.121 0.000 0.801 347 E CB -0.027 29.675 29.700 0.004 0.000 0.743 347 E HN 0.255 nan 8.360 nan 0.000 0.453 348 R N -0.375 119.724 120.500 -0.668 0.000 2.091 348 R HA -0.127 4.220 4.340 0.012 0.000 0.238 348 R C 2.360 178.410 176.300 -0.416 0.000 1.136 348 R CA 1.614 57.107 56.100 -1.011 0.000 0.959 348 R CB -0.525 29.202 30.300 -0.956 0.000 0.856 348 R HN 0.263 nan 8.270 nan 0.000 0.437 349 G N 0.386 109.032 108.800 -0.257 0.000 2.422 349 G HA2 -0.211 3.756 3.960 0.012 0.000 0.218 349 G HA3 -0.211 3.756 3.960 0.012 0.000 0.218 349 G C 1.332 176.172 174.900 -0.100 0.000 1.140 349 G CA 0.231 45.247 45.100 -0.140 0.000 0.775 349 G HN 0.306 nan 8.290 nan 0.000 0.545 350 R N -0.572 119.866 120.500 -0.102 0.000 2.115 350 R HA 0.093 4.440 4.340 0.012 0.000 0.226 350 R C 2.348 178.623 176.300 -0.042 0.000 1.100 350 R CA 0.641 56.706 56.100 -0.057 0.000 0.980 350 R CB -0.491 29.782 30.300 -0.045 0.000 0.875 350 R HN 0.391 nan 8.270 nan 0.000 0.445 351 L N 1.013 122.196 121.223 -0.066 0.000 2.027 351 L HA -0.103 4.244 4.340 0.012 0.000 0.206 351 L C 2.091 178.965 176.870 0.008 0.000 1.074 351 L CA 1.545 56.377 54.840 -0.014 0.000 0.745 351 L CB -0.411 41.643 42.059 -0.009 0.000 0.898 351 L HN -0.159 nan 8.230 nan 0.000 0.433 352 V N 0.085 119.981 119.914 -0.029 0.000 2.343 352 V HA -0.305 3.822 4.120 0.012 0.000 0.247 352 V C 2.356 178.447 176.094 -0.005 0.000 1.051 352 V CA 1.948 64.240 62.300 -0.013 0.000 1.036 352 V CB -0.847 30.953 31.823 -0.038 0.000 0.654 352 V HN 0.570 nan 8.190 nan 0.000 0.451 353 D N -0.301 120.091 120.400 -0.013 0.000 2.104 353 D HA -0.226 4.421 4.640 0.012 0.000 0.194 353 D C 2.189 178.502 176.300 0.022 0.000 0.994 353 D CA 1.778 55.778 54.000 0.000 0.000 0.830 353 D CB -0.150 40.646 40.800 -0.008 0.000 0.959 353 D HN 0.353 nan 8.370 nan 0.000 0.452 354 M N -0.748 118.867 119.600 0.025 0.000 2.108 354 M HA -0.157 4.330 4.480 0.012 0.000 0.261 354 M C 2.317 178.653 176.300 0.060 0.000 1.066 354 M CA 1.268 56.594 55.300 0.042 0.000 1.107 354 M CB -0.215 32.411 32.600 0.044 0.000 1.356 354 M HN 0.159 nan 8.290 nan 0.000 0.406 355 M N -0.466 119.169 119.600 0.058 0.000 2.159 355 M HA -0.164 4.323 4.480 0.012 0.000 0.263 355 M C 2.248 178.599 176.300 0.083 0.000 1.063 355 M CA 2.079 57.412 55.300 0.055 0.000 1.110 355 M CB -0.679 31.942 32.600 0.035 0.000 1.374 355 M HN 0.443 nan 8.290 nan 0.000 0.411 356 T N -2.806 111.792 114.554 0.073 0.000 2.942 356 T HA -0.072 4.285 4.350 0.012 0.000 0.265 356 T C 1.320 176.169 174.700 0.247 0.000 1.062 356 T CA 1.148 63.320 62.100 0.120 0.000 1.139 356 T CB -0.382 68.504 68.868 0.028 0.000 0.883 356 T HN 0.200 nan 8.240 nan 0.000 0.468 357 D N 1.725 122.203 120.400 0.130 0.000 2.144 357 D HA 0.012 4.659 4.640 0.012 0.000 0.199 357 D C 1.954 178.305 176.300 0.085 0.000 0.984 357 D CA 1.129 55.187 54.000 0.096 0.000 0.834 357 D CB -0.205 40.635 40.800 0.065 0.000 0.955 357 D HN 0.444 nan 8.370 nan 0.000 0.465 358 S N -0.569 115.192 115.700 0.102 0.000 2.539 358 S HA -0.033 4.444 4.470 0.012 0.000 0.221 358 S C 1.570 176.211 174.600 0.068 0.000 0.987 358 S CA -0.445 57.817 58.200 0.104 0.000 0.929 358 S CB 0.009 63.267 63.200 0.096 0.000 0.832 358 S HN 0.477 nan 8.310 nan 0.000 0.492 359 H N 1.920 121.000 119.070 0.017 0.000 2.422 359 H HA -0.094 4.469 4.556 0.012 0.000 0.298 359 H C 1.950 177.274 175.328 -0.006 0.000 1.098 359 H CA 1.832 57.876 56.048 -0.006 0.000 1.315 359 H CB -0.939 28.802 29.762 -0.034 0.000 1.382 359 H HN 0.478 nan 8.280 nan 0.000 0.523 360 T N -2.470 111.697 114.554 -0.646 0.000 2.904 360 T HA -0.140 4.217 4.350 0.012 0.000 0.267 360 T C 1.846 176.328 174.700 -0.364 0.000 1.059 360 T CA 0.872 62.627 62.100 -0.574 0.000 1.137 360 T CB -0.767 67.641 68.868 -0.766 0.000 0.879 360 T HN 0.533 nan 8.240 nan 0.000 0.467 361 W N 0.776 122.026 121.300 -0.083 0.000 2.576 361 W HA 0.418 5.086 4.660 0.012 0.000 0.270 361 W C 2.079 178.609 176.519 0.018 0.000 1.255 361 W CA -0.456 56.876 57.345 -0.022 0.000 1.314 361 W CB -0.080 29.361 29.460 -0.032 0.000 1.101 361 W HN 0.182 nan 8.180 nan 0.000 0.595 362 L N -0.813 120.536 121.223 0.210 0.000 2.270 362 L HA -0.035 4.312 4.340 0.012 0.000 0.210 362 L C 1.445 178.387 176.870 0.120 0.000 1.104 362 L CA 0.358 55.287 54.840 0.148 0.000 0.804 362 L CB -0.774 41.319 42.059 0.057 0.000 0.937 362 L HN -0.014 nan 8.230 nan 0.000 0.450 363 H N 0.803 119.893 119.070 0.033 0.000 3.004 363 H HA 0.006 4.569 4.556 0.012 0.000 0.316 363 H C 1.092 176.463 175.328 0.072 0.000 1.014 363 H CA 1.087 57.151 56.048 0.027 0.000 1.454 363 H CB 0.764 30.554 29.762 0.047 0.000 1.472 363 H HN 0.350 nan 8.280 nan 0.000 0.571 364 G N 4.854 113.387 108.800 -0.444 0.000 2.184 364 G HA2 -0.262 3.705 3.960 0.012 0.000 0.264 364 G HA3 -0.262 3.705 3.960 0.012 0.000 0.264 364 G C 0.335 175.205 174.900 -0.050 0.000 0.975 364 G CA 0.199 45.162 45.100 -0.229 0.000 0.642 364 G HN 0.563 nan 8.290 nan 0.000 0.536 365 K N 0.765 121.170 120.400 0.007 0.000 2.448 365 K HA 0.281 4.608 4.320 0.012 0.000 0.278 365 K C 0.775 177.320 176.600 -0.092 0.000 1.009 365 K CA 0.123 56.399 56.287 -0.018 0.000 0.995 365 K CB 0.548 33.087 32.500 0.065 0.000 0.917 365 K HN 0.430 nan 8.250 nan 0.000 0.481 366 R N 2.348 122.677 120.500 -0.284 0.000 2.393 366 R HA 0.404 4.751 4.340 0.012 0.000 0.310 366 R C -0.668 175.395 176.300 -0.396 0.000 0.968 366 R CA -0.453 55.531 56.100 -0.194 0.000 0.867 366 R CB 0.722 30.944 30.300 -0.129 0.000 1.124 366 R HN 0.328 nan 8.270 nan 0.000 0.450 367 F N 0.827 120.809 119.950 0.054 0.000 2.540 367 F HA 0.534 5.068 4.527 0.012 0.000 0.317 367 F C 0.123 175.999 175.800 0.125 0.000 1.104 367 F CA -0.977 57.091 58.000 0.113 0.000 0.913 367 F CB 2.053 41.108 39.000 0.091 0.000 1.170 367 F HN 0.484 nan 8.300 nan 0.000 0.450 368 A N 5.067 128.124 122.820 0.395 0.000 2.290 368 A HA 0.864 5.191 4.320 0.012 0.000 0.310 368 A C -0.973 176.910 177.584 0.499 0.000 1.202 368 A CA -0.487 51.831 52.037 0.467 0.000 0.837 368 A CB 0.560 19.855 19.000 0.491 0.000 1.139 368 A HN 0.712 nan 8.150 nan 0.000 0.509 369 L N -0.361 121.158 121.223 0.493 0.000 2.415 369 L HA 1.008 5.355 4.340 0.012 0.000 0.256 369 L C -1.111 176.125 176.870 0.610 0.000 1.010 369 L CA -0.749 54.346 54.840 0.425 0.000 0.826 369 L CB 0.791 42.962 42.059 0.186 0.000 1.405 369 L HN 1.108 nan 8.230 nan 0.000 0.410 370 W N 0.091 121.556 121.300 0.276 0.000 2.961 370 W HA 0.896 5.563 4.660 0.012 0.000 0.368 370 W C -0.344 176.400 176.519 0.375 0.000 1.213 370 W CA -0.118 57.397 57.345 0.284 0.000 1.173 370 W CB 0.834 30.430 29.460 0.227 0.000 1.487 370 W HN 1.099 nan 8.180 nan 0.000 0.585 371 G N 0.157 109.268 108.800 0.518 0.000 2.302 371 G HA2 0.176 4.143 3.960 0.012 0.000 0.264 371 G HA3 0.176 4.143 3.960 0.012 0.000 0.264 371 G C -1.739 173.352 174.900 0.318 0.000 1.335 371 G CA -0.719 44.623 45.100 0.404 0.000 0.982 371 G HN 0.622 nan 8.290 nan 0.000 0.473 372 D N 1.074 121.640 120.400 0.275 0.000 2.329 372 D HA 0.445 5.092 4.640 0.012 0.000 0.246 372 D C -1.230 175.096 176.300 0.044 0.000 1.111 372 D CA -1.307 52.753 54.000 0.100 0.000 0.941 372 D CB 1.424 42.265 40.800 0.069 0.000 1.169 372 D HN -0.022 nan 8.370 nan 0.000 0.441 373 P HA -0.163 nan 4.420 nan 0.000 0.215 373 P C 0.759 178.104 177.300 0.074 0.000 1.163 373 P CA 1.377 64.086 63.100 -0.651 0.000 0.894 373 P CB 0.343 31.500 31.700 -0.904 0.000 0.791 374 D N -1.716 118.816 120.400 0.221 0.000 2.097 374 D HA -0.138 4.509 4.640 0.012 0.000 0.197 374 D C 1.862 178.361 176.300 0.331 0.000 0.984 374 D CA 0.907 55.110 54.000 0.338 0.000 0.826 374 D CB -0.643 40.325 40.800 0.281 0.000 0.973 374 D HN 0.129 nan 8.370 nan 0.000 0.460 375 F N 2.207 122.266 119.950 0.181 0.000 2.126 375 F HA -0.220 4.314 4.527 0.011 0.000 0.299 375 F C 2.135 178.045 175.800 0.183 0.000 1.096 375 F CA 1.096 59.190 58.000 0.157 0.000 1.255 375 F CB -0.361 38.720 39.000 0.136 0.000 0.997 375 F HN -0.256 nan 8.300 nan 0.000 0.479 376 V N 2.253 122.229 119.914 0.103 0.000 2.358 376 V HA -0.349 3.778 4.120 0.012 0.000 0.246 376 V C 2.600 178.769 176.094 0.126 0.000 1.047 376 V CA 2.146 64.482 62.300 0.060 0.000 1.035 376 V CB -0.840 31.192 31.823 0.348 0.000 0.658 376 V HN 0.621 nan 8.190 nan 0.000 0.452 377 M N 0.486 120.286 119.600 0.334 0.000 2.175 377 M HA 0.039 4.526 4.480 0.012 0.000 0.264 377 M C 2.084 178.539 176.300 0.259 0.000 1.063 377 M CA 2.378 57.851 55.300 0.288 0.000 1.119 377 M CB -1.162 31.647 32.600 0.348 0.000 1.377 377 M HN 0.201 nan 8.290 nan 0.000 0.415 378 G N 1.541 110.508 108.800 0.279 0.000 2.418 378 G HA2 -0.127 3.840 3.960 0.012 0.000 0.217 378 G HA3 -0.127 3.840 3.960 0.012 0.000 0.217 378 G C 1.580 176.412 174.900 -0.113 0.000 1.158 378 G CA 0.726 45.922 45.100 0.160 0.000 0.771 378 G HN 0.439 nan 8.290 nan 0.000 0.545 379 L N 0.238 121.323 121.223 -0.230 0.000 2.017 379 L HA -0.080 4.267 4.340 0.012 0.000 0.208 379 L C 3.044 179.806 176.870 -0.180 0.000 1.073 379 L CA 0.808 55.489 54.840 -0.266 0.000 0.745 379 L CB -0.238 41.518 42.059 -0.505 0.000 0.894 379 L HN 0.131 nan 8.230 nan 0.000 0.432 380 V N 0.113 119.942 119.914 -0.142 0.000 2.287 380 V HA -0.335 3.792 4.120 0.012 0.000 0.248 380 V C 2.521 178.513 176.094 -0.170 0.000 1.053 380 V CA 2.112 64.344 62.300 -0.113 0.000 1.027 380 V CB -0.533 31.262 31.823 -0.047 0.000 0.646 380 V HN 0.412 nan 8.190 nan 0.000 0.447 381 K N 0.114 120.362 120.400 -0.253 0.000 2.032 381 K HA -0.210 4.117 4.320 0.012 0.000 0.209 381 K C 1.951 178.363 176.600 -0.313 0.000 1.048 381 K CA 1.880 57.904 56.287 -0.439 0.000 0.927 381 K CB -0.694 31.127 32.500 -1.131 0.000 0.712 381 K HN 0.328 nan 8.250 nan 0.000 0.441 382 F N 0.975 120.680 119.950 -0.409 0.000 2.171 382 F HA -0.059 4.474 4.527 0.011 0.000 0.300 382 F C 1.603 177.241 175.800 -0.270 0.000 1.090 382 F CA 1.255 59.065 58.000 -0.316 0.000 1.293 382 F CB -0.396 38.440 39.000 -0.273 0.000 1.013 382 F HN 0.017 nan 8.300 nan 0.000 0.486 383 L N -0.396 120.600 121.223 -0.379 0.000 2.012 383 L HA -0.282 4.065 4.340 0.012 0.000 0.210 383 L C 2.550 179.190 176.870 -0.382 0.000 1.073 383 L CA 1.419 55.989 54.840 -0.451 0.000 0.748 383 L CB -0.805 41.055 42.059 -0.331 0.000 0.891 383 L HN 0.184 nan 8.230 nan 0.000 0.431 384 L N -0.645 120.416 121.223 -0.271 0.000 2.042 384 L HA -0.244 4.103 4.340 0.012 0.000 0.210 384 L C 2.472 179.173 176.870 -0.281 0.000 1.076 384 L CA 1.400 56.112 54.840 -0.214 0.000 0.749 384 L CB -0.584 41.411 42.059 -0.107 0.000 0.893 384 L HN 0.305 nan 8.230 nan 0.000 0.432 385 E N 0.088 120.123 120.200 -0.276 0.000 2.204 385 E HA -0.182 4.175 4.350 0.012 0.000 0.195 385 E C 2.147 178.562 176.600 -0.309 0.000 0.990 385 E CA 0.893 57.155 56.400 -0.230 0.000 0.821 385 E CB -0.056 29.566 29.700 -0.129 0.000 0.750 385 E HN 0.504 nan 8.360 nan 0.000 0.477 386 L N -0.588 120.350 121.223 -0.475 0.000 2.554 386 L HA 0.119 4.466 4.340 0.012 0.000 0.226 386 L C 1.270 177.909 176.870 -0.385 0.000 1.137 386 L CA 0.344 54.922 54.840 -0.436 0.000 0.863 386 L CB 0.038 41.744 42.059 -0.589 0.000 0.985 386 L HN 0.267 nan 8.230 nan 0.000 0.451 387 G N -0.388 108.047 108.800 -0.609 0.000 2.149 387 G HA2 -0.240 3.727 3.960 0.012 0.000 0.235 387 G HA3 -0.240 3.727 3.960 0.012 0.000 0.235 387 G C 0.098 174.485 174.900 -0.855 0.000 1.018 387 G CA -0.037 44.380 45.100 -1.139 0.000 0.728 387 G HN 0.324 nan 8.290 nan 0.000 0.508 388 C N 0.042 119.051 119.300 -0.486 0.000 2.351 388 C HA 0.682 5.149 4.460 0.012 0.000 0.359 388 C C 0.568 175.537 174.990 -0.036 0.000 1.193 388 C CA -0.716 58.216 59.018 -0.144 0.000 2.270 388 C CB 1.410 29.128 27.740 -0.036 0.000 2.369 388 C HN 0.529 nan 8.230 nan 0.000 0.553 389 E N 1.878 122.147 120.200 0.114 0.000 2.102 389 E HA 0.215 4.572 4.350 0.012 0.000 0.263 389 E C -2.473 174.212 176.600 0.141 0.000 0.894 389 E CA -1.402 55.066 56.400 0.115 0.000 0.746 389 E CB 1.006 30.755 29.700 0.081 0.000 1.129 389 E HN 0.394 nan 8.360 nan 0.000 0.416 390 P HA 0.010 nan 4.420 nan 0.000 0.244 390 P C 0.799 178.137 177.300 0.062 0.000 1.769 390 P CA 0.034 63.197 63.100 0.104 0.000 1.102 390 P CB 0.318 32.045 31.700 0.046 0.000 1.937 391 V N 1.296 121.209 119.914 -0.002 0.000 2.255 391 V HA -0.177 3.950 4.120 0.012 0.000 0.247 391 V C 1.000 176.987 176.094 -0.178 0.000 1.051 391 V CA 1.693 63.881 62.300 -0.187 0.000 1.018 391 V CB -0.941 30.629 31.823 -0.421 0.000 0.641 391 V HN 0.522 nan 8.190 nan 0.000 0.445 392 H N -0.382 118.826 119.070 0.229 0.000 2.638 392 H HA 0.524 5.087 4.556 0.012 0.000 0.317 392 H C -0.590 174.940 175.328 0.337 0.000 1.006 392 H CA -0.678 55.560 56.048 0.317 0.000 1.222 392 H CB 0.888 30.805 29.762 0.258 0.000 1.419 392 H HN 0.254 nan 8.280 nan 0.000 0.489 393 I N 4.793 125.642 120.570 0.465 0.000 2.359 393 I HA 0.180 4.357 4.170 0.012 0.000 0.284 393 I C -0.253 176.168 176.117 0.506 0.000 1.018 393 I CA -0.352 61.190 61.300 0.402 0.000 1.173 393 I CB 1.498 39.651 38.000 0.255 0.000 1.326 393 I HN 0.239 nan 8.210 nan 0.000 0.462 394 L N 7.177 128.699 121.223 0.498 0.000 2.305 394 L HA 0.594 4.941 4.340 0.012 0.000 0.284 394 L C -1.027 176.089 176.870 0.410 0.000 1.013 394 L CA -0.184 54.921 54.840 0.442 0.000 0.819 394 L CB 1.516 43.760 42.059 0.309 0.000 1.227 394 L HN 0.736 nan 8.230 nan 0.000 0.417 395 C N 4.245 123.738 119.300 0.321 0.000 2.654 395 C HA 0.292 4.759 4.460 0.012 0.000 0.315 395 C C 1.269 176.347 174.990 0.146 0.000 1.054 395 C CA -0.489 58.620 59.018 0.151 0.000 1.419 395 C CB -0.194 27.408 27.740 -0.230 0.000 1.889 395 C HN 1.104 nan 8.230 nan 0.000 0.447 396 H N 3.487 122.601 119.070 0.074 0.000 2.352 396 H HA -0.108 4.455 4.556 0.012 0.000 0.299 396 H C 1.521 176.851 175.328 0.002 0.000 1.097 396 H CA 1.996 58.072 56.048 0.047 0.000 1.311 396 H CB 0.466 30.257 29.762 0.049 0.000 1.377 396 H HN 0.800 nan 8.280 nan 0.000 0.504 397 N N 0.508 119.238 118.700 0.051 0.000 2.295 397 N HA 0.082 4.829 4.740 0.012 0.000 0.221 397 N C 0.276 175.693 175.510 -0.154 0.000 1.129 397 N CA 0.318 53.317 53.050 -0.085 0.000 0.836 397 N CB 0.023 38.419 38.487 -0.152 0.000 1.040 397 N HN 0.205 nan 8.380 nan 0.000 0.494 398 G N 0.366 109.059 108.800 -0.180 0.000 2.504 398 G HA2 0.407 4.374 3.960 0.012 0.000 0.288 398 G HA3 0.407 4.374 3.960 0.012 0.000 0.288 398 G C -0.173 174.718 174.900 -0.015 0.000 1.182 398 G CA -0.594 44.317 45.100 -0.316 0.000 0.894 398 G HN 0.529 nan 8.290 nan 0.000 0.521 399 N N -1.426 117.327 118.700 0.089 0.000 2.545 399 N HA 0.293 5.040 4.740 0.012 0.000 0.289 399 N C 0.799 176.439 175.510 0.216 0.000 1.279 399 N CA -0.992 52.157 53.050 0.164 0.000 0.824 399 N CB 1.588 40.181 38.487 0.176 0.000 1.395 399 N HN 0.345 nan 8.380 nan 0.000 0.526 400 K N -0.096 120.404 120.400 0.167 0.000 2.063 400 K HA -0.068 4.259 4.320 0.012 0.000 0.208 400 K C 1.627 178.307 176.600 0.134 0.000 1.048 400 K CA 1.387 57.755 56.287 0.135 0.000 0.928 400 K CB -0.150 32.416 32.500 0.109 0.000 0.713 400 K HN 0.456 nan 8.250 nan 0.000 0.442 401 R N -0.539 120.079 120.500 0.198 0.000 2.092 401 R HA -0.167 4.180 4.340 0.012 0.000 0.231 401 R C 2.080 178.461 176.300 0.134 0.000 1.119 401 R CA 1.549 57.803 56.100 0.257 0.000 0.970 401 R CB -0.316 30.238 30.300 0.424 0.000 0.864 401 R HN 0.372 nan 8.270 nan 0.000 0.440 402 W N 2.352 123.465 121.300 -0.313 0.000 2.355 402 W HA -0.188 4.479 4.660 0.011 0.000 0.309 402 W C 2.156 178.394 176.519 -0.468 0.000 1.206 402 W CA 1.425 58.185 57.345 -0.975 0.000 1.284 402 W CB -0.085 28.853 29.460 -0.871 0.000 1.145 402 W HN -0.103 nan 8.180 nan 0.000 0.502 403 K N 0.741 121.045 120.400 -0.160 0.000 2.063 403 K HA -0.286 4.041 4.320 0.012 0.000 0.208 403 K C 2.128 178.544 176.600 -0.307 0.000 1.048 403 K CA 1.987 58.108 56.287 -0.276 0.000 0.928 403 K CB -0.346 32.165 32.500 0.019 0.000 0.713 403 K HN -0.096 nan 8.250 nan 0.000 0.442 404 K N 0.481 120.783 120.400 -0.162 0.000 2.044 404 K HA -0.125 4.202 4.320 0.012 0.000 0.210 404 K C 1.850 178.361 176.600 -0.148 0.000 1.049 404 K CA 1.750 57.975 56.287 -0.104 0.000 0.927 404 K CB -0.556 31.941 32.500 -0.005 0.000 0.713 404 K HN 0.333 nan 8.250 nan 0.000 0.443 405 A N -0.336 122.356 122.820 -0.213 0.000 1.933 405 A HA -0.103 4.224 4.320 0.012 0.000 0.218 405 A C 2.259 179.678 177.584 -0.275 0.000 1.175 405 A CA 1.818 53.751 52.037 -0.174 0.000 0.628 405 A CB -0.524 18.412 19.000 -0.108 0.000 0.814 405 A HN 0.121 nan 8.150 nan 0.000 0.444 406 V N 0.192 119.780 119.914 -0.543 0.000 2.488 406 V HA -0.154 3.973 4.120 0.012 0.000 0.246 406 V C 2.033 177.965 176.094 -0.270 0.000 1.046 406 V CA 1.836 63.846 62.300 -0.484 0.000 1.053 406 V CB -0.737 30.570 31.823 -0.859 0.000 0.679 406 V HN 0.440 nan 8.190 nan 0.000 0.458 407 D N 0.873 121.123 120.400 -0.250 0.000 2.149 407 D HA -0.153 4.494 4.640 0.012 0.000 0.198 407 D C 2.224 178.468 176.300 -0.093 0.000 0.990 407 D CA 1.715 55.626 54.000 -0.149 0.000 0.839 407 D CB -0.164 40.559 40.800 -0.129 0.000 0.948 407 D HN 0.444 nan 8.370 nan 0.000 0.460 408 A N 0.581 123.353 122.820 -0.081 0.000 1.898 408 A HA -0.119 4.208 4.320 0.012 0.000 0.216 408 A C 2.384 179.962 177.584 -0.010 0.000 1.181 408 A CA 0.774 52.792 52.037 -0.032 0.000 0.620 408 A CB -0.620 18.374 19.000 -0.010 0.000 0.819 408 A HN 0.187 nan 8.150 nan 0.000 0.442 409 I N -0.359 120.205 120.570 -0.010 0.000 2.226 409 I HA -0.255 3.922 4.170 0.012 0.000 0.245 409 I C 2.304 178.416 176.117 -0.008 0.000 1.100 409 I CA 1.072 62.387 61.300 0.025 0.000 1.374 409 I CB -0.282 37.753 38.000 0.059 0.000 1.057 409 I HN 0.283 nan 8.210 nan 0.000 0.413 410 L N 0.370 121.571 121.223 -0.038 0.000 2.083 410 L HA -0.190 4.157 4.340 0.012 0.000 0.209 410 L C 2.778 179.635 176.870 -0.022 0.000 1.083 410 L CA 1.244 56.065 54.840 -0.033 0.000 0.752 410 L CB -0.698 41.329 42.059 -0.052 0.000 0.899 410 L HN 0.236 nan 8.230 nan 0.000 0.433 411 A N 0.007 122.813 122.820 -0.025 0.000 1.969 411 A HA -0.062 4.265 4.320 0.012 0.000 0.218 411 A C 2.292 179.871 177.584 -0.008 0.000 1.169 411 A CA 1.411 53.436 52.037 -0.020 0.000 0.635 411 A CB -0.552 18.436 19.000 -0.020 0.000 0.810 411 A HN 0.368 nan 8.150 nan 0.000 0.445 412 A N -1.128 121.694 122.820 0.004 0.000 2.261 412 A HA 0.429 4.756 4.320 0.012 0.000 0.208 412 A C 0.885 178.479 177.584 0.017 0.000 1.223 412 A CA 0.886 52.932 52.037 0.015 0.000 0.833 412 A CB -0.444 18.575 19.000 0.032 0.000 0.830 412 A HN 0.501 nan 8.150 nan 0.000 0.483 413 S N -1.349 114.359 115.700 0.013 0.000 2.546 413 S HA 0.546 5.023 4.470 0.012 0.000 0.272 413 S C -2.596 171.993 174.600 -0.017 0.000 1.140 413 S CA -1.077 57.143 58.200 0.033 0.000 0.920 413 S CB 1.618 64.868 63.200 0.085 0.000 1.083 413 S HN -0.026 nan 8.310 nan 0.000 0.476 414 P HA 0.019 nan 4.420 nan 0.000 0.222 414 P C 0.308 177.435 177.300 -0.287 0.000 1.147 414 P CA 0.928 63.891 63.100 -0.228 0.000 0.790 414 P CB -0.094 31.391 31.700 -0.358 0.000 0.780 415 Y N -0.922 119.353 120.300 -0.040 0.000 2.583 415 Y HA 0.174 4.731 4.550 0.011 0.000 0.293 415 Y C 2.395 178.264 175.900 -0.053 0.000 1.157 415 Y CA 0.859 58.925 58.100 -0.056 0.000 1.315 415 Y CB -0.931 37.487 38.460 -0.070 0.000 1.021 415 Y HN -0.032 nan 8.280 nan 0.000 0.536 416 G N -1.064 107.768 108.800 0.053 0.000 3.088 416 G HA2 -0.042 3.925 3.960 0.012 0.000 0.217 416 G HA3 -0.042 3.925 3.960 0.012 0.000 0.217 416 G C 1.501 176.391 174.900 -0.017 0.000 1.159 416 G CA -0.044 45.064 45.100 0.012 0.000 0.760 416 G HN 0.108 nan 8.290 nan 0.000 0.550 417 K N 1.088 121.468 120.400 -0.033 0.000 2.147 417 K HA 0.016 4.343 4.320 0.012 0.000 0.205 417 K C 1.463 178.042 176.600 -0.035 0.000 1.049 417 K CA 0.690 56.951 56.287 -0.043 0.000 0.936 417 K CB 0.086 32.548 32.500 -0.062 0.000 0.722 417 K HN 0.180 nan 8.250 nan 0.000 0.446 418 N N -0.249 118.434 118.700 -0.028 0.000 2.214 418 N HA 0.135 4.882 4.740 0.012 0.000 0.214 418 N C -0.721 174.772 175.510 -0.027 0.000 1.132 418 N CA 0.059 53.093 53.050 -0.027 0.000 0.856 418 N CB 0.893 39.362 38.487 -0.029 0.000 1.020 418 N HN 0.009 nan 8.380 nan 0.000 0.509 419 A N 0.402 123.208 122.820 -0.024 0.000 2.306 419 A HA 0.684 5.011 4.320 0.012 0.000 0.314 419 A C -0.001 177.566 177.584 -0.029 0.000 1.164 419 A CA -0.073 51.954 52.037 -0.016 0.000 0.822 419 A CB 0.697 19.692 19.000 -0.009 0.000 1.130 419 A HN 0.034 nan 8.150 nan 0.000 0.496 420 T N 1.430 115.979 114.554 -0.009 0.000 2.881 420 T HA 0.491 4.848 4.350 0.012 0.000 0.290 420 T C -0.656 173.914 174.700 -0.217 0.000 1.000 420 T CA -0.400 61.606 62.100 -0.156 0.000 0.978 420 T CB 1.424 70.162 68.868 -0.217 0.000 0.997 420 T HN 0.429 nan 8.240 nan 0.000 0.443 421 V N 3.811 123.552 119.914 -0.288 0.000 2.407 421 V HA 0.410 4.537 4.120 0.012 0.000 0.278 421 V C -1.134 174.815 176.094 -0.242 0.000 1.037 421 V CA -0.705 61.512 62.300 -0.139 0.000 0.900 421 V CB 0.299 32.050 31.823 -0.121 0.000 0.983 421 V HN 0.812 nan 8.190 nan 0.000 0.459 422 Y N 5.386 125.806 120.300 0.201 0.000 2.328 422 Y HA 0.658 5.216 4.550 0.013 0.000 0.336 422 Y C 0.343 176.363 175.900 0.199 0.000 0.960 422 Y CA -0.775 57.431 58.100 0.177 0.000 1.134 422 Y CB 1.501 40.060 38.460 0.165 0.000 1.166 422 Y HN 0.628 nan 8.280 nan 0.000 0.464 423 I N -1.018 119.725 120.570 0.288 0.000 2.648 423 I HA 0.881 5.058 4.170 0.012 0.000 0.304 423 I C 0.909 177.128 176.117 0.170 0.000 1.009 423 I CA -0.728 60.713 61.300 0.235 0.000 1.114 423 I CB 1.984 40.121 38.000 0.229 0.000 1.293 423 I HN 0.737 nan 8.210 nan 0.000 0.449 424 G N 2.978 111.885 108.800 0.178 0.000 2.184 424 G HA2 -0.211 3.756 3.960 0.012 0.000 0.264 424 G HA3 -0.211 3.756 3.960 0.012 0.000 0.264 424 G C 0.192 175.101 174.900 0.016 0.000 0.975 424 G CA 0.063 45.273 45.100 0.185 0.000 0.642 424 G HN 0.649 nan 8.290 nan 0.000 0.536 425 K N 1.174 121.508 120.400 -0.111 0.000 2.095 425 K HA 0.614 4.941 4.320 0.012 0.000 0.252 425 K C 0.140 176.449 176.600 -0.487 0.000 0.977 425 K CA -0.020 56.108 56.287 -0.265 0.000 0.900 425 K CB 1.487 33.790 32.500 -0.328 0.000 1.060 425 K HN 0.502 nan 8.250 nan 0.000 0.449 426 D N -1.265 118.943 120.400 -0.319 0.000 2.654 426 D HA 0.230 4.877 4.640 0.012 0.000 0.255 426 D C 0.941 177.083 176.300 -0.262 0.000 1.101 426 D CA -0.763 52.992 54.000 -0.409 0.000 1.116 426 D CB 0.381 40.957 40.800 -0.373 0.000 1.348 426 D HN 0.241 nan 8.370 nan 0.000 0.609 427 L N -0.649 120.418 121.223 -0.261 0.000 2.465 427 L HA 0.045 4.392 4.340 0.012 0.000 0.224 427 L C 1.608 178.376 176.870 -0.170 0.000 1.145 427 L CA 0.307 54.954 54.840 -0.321 0.000 0.834 427 L CB -0.196 41.650 42.059 -0.354 0.000 0.944 427 L HN 0.472 nan 8.230 nan 0.000 0.451 428 W N 0.500 121.616 121.300 -0.307 0.000 2.476 428 W HA -0.112 4.554 4.660 0.009 0.000 0.281 428 W C 2.156 178.495 176.519 -0.300 0.000 1.230 428 W CA 1.084 58.265 57.345 -0.274 0.000 1.287 428 W CB -0.055 29.223 29.460 -0.303 0.000 1.108 428 W HN 0.291 nan 8.180 nan 0.000 0.567 429 H N 0.010 118.906 119.070 -0.289 0.000 2.321 429 H HA -0.224 4.339 4.556 0.012 0.000 0.300 429 H C 2.133 177.242 175.328 -0.366 0.000 1.087 429 H CA 2.062 57.802 56.048 -0.513 0.000 1.319 429 H CB -0.430 28.832 29.762 -0.833 0.000 1.379 429 H HN 0.023 nan 8.280 nan 0.000 0.501 430 L N 0.986 122.066 121.223 -0.239 0.000 2.083 430 L HA -0.151 4.196 4.340 0.012 0.000 0.209 430 L C 2.411 179.105 176.870 -0.294 0.000 1.083 430 L CA 1.417 56.092 54.840 -0.274 0.000 0.752 430 L CB -0.481 41.381 42.059 -0.328 0.000 0.899 430 L HN 0.114 nan 8.230 nan 0.000 0.433 431 R N -1.005 119.289 120.500 -0.344 0.000 2.112 431 R HA -0.206 4.141 4.340 0.012 0.000 0.242 431 R C 2.307 178.442 176.300 -0.275 0.000 1.137 431 R CA 2.035 57.904 56.100 -0.386 0.000 0.944 431 R CB -0.439 29.497 30.300 -0.606 0.000 0.857 431 R HN 0.427 nan 8.270 nan 0.000 0.435 432 S N 0.822 116.376 115.700 -0.244 0.000 2.359 432 S HA -0.118 4.359 4.470 0.012 0.000 0.224 432 S C 1.950 176.509 174.600 -0.069 0.000 1.035 432 S CA 1.247 59.407 58.200 -0.067 0.000 1.018 432 S CB -0.210 63.003 63.200 0.021 0.000 0.876 432 S HN 0.277 nan 8.310 nan 0.000 0.448 433 L N 1.476 122.592 121.223 -0.179 0.000 2.042 433 L HA -0.104 4.243 4.340 0.012 0.000 0.210 433 L C 2.425 179.094 176.870 -0.334 0.000 1.076 433 L CA 1.264 55.880 54.840 -0.373 0.000 0.749 433 L CB -0.929 40.692 42.059 -0.731 0.000 0.893 433 L HN 0.350 nan 8.230 nan 0.000 0.432 434 V N -5.004 114.741 119.914 -0.280 0.000 3.141 434 V HA -0.118 4.009 4.120 0.012 0.000 0.265 434 V C 2.068 178.041 176.094 -0.202 0.000 1.126 434 V CA 0.970 63.165 62.300 -0.175 0.000 1.141 434 V CB -0.739 30.966 31.823 -0.197 0.000 0.743 434 V HN 0.135 nan 8.190 nan 0.000 0.492 435 F N 2.545 122.423 119.950 -0.121 0.000 2.220 435 F HA 0.058 4.592 4.527 0.012 0.000 0.290 435 F C 2.846 178.586 175.800 -0.100 0.000 1.080 435 F CA 1.906 59.825 58.000 -0.135 0.000 1.318 435 F CB -0.917 37.938 39.000 -0.241 0.000 1.063 435 F HN 0.323 nan 8.300 nan 0.000 0.498 436 T N -3.479 111.133 114.554 0.096 0.000 2.978 436 T HA -0.049 4.308 4.350 0.012 0.000 0.262 436 T C 0.682 175.417 174.700 0.058 0.000 1.063 436 T CA 1.073 63.194 62.100 0.035 0.000 1.140 436 T CB -0.134 68.723 68.868 -0.019 0.000 0.886 436 T HN -0.012 nan 8.240 nan 0.000 0.470 437 D N 1.169 121.624 120.400 0.091 0.000 2.607 437 D HA 0.218 4.865 4.640 0.012 0.000 0.318 437 D C -0.606 175.834 176.300 0.233 0.000 1.212 437 D CA -0.515 53.586 54.000 0.169 0.000 0.861 437 D CB 0.230 41.188 40.800 0.264 0.000 1.064 437 D HN 0.253 nan 8.370 nan 0.000 0.500 438 K N 2.610 123.090 120.400 0.133 0.000 2.453 438 K HA 0.093 4.420 4.320 0.012 0.000 0.280 438 K C -2.211 174.423 176.600 0.057 0.000 1.045 438 K CA -0.722 55.621 56.287 0.093 0.000 1.059 438 K CB 0.620 33.173 32.500 0.089 0.000 0.901 438 K HN 0.236 nan 8.250 nan 0.000 0.475 439 P HA 0.188 nan 4.420 nan 0.000 0.297 439 P C -0.336 176.875 177.300 -0.148 0.000 1.307 439 P CA -0.370 62.706 63.100 -0.040 0.000 0.773 439 P CB 0.778 32.495 31.700 0.028 0.000 1.265 440 D N -1.210 119.036 120.400 -0.256 0.000 2.162 440 D HA 0.093 4.740 4.640 0.012 0.000 0.205 440 D C 0.311 176.155 176.300 -0.760 0.000 0.964 440 D CA 1.566 55.296 54.000 -0.450 0.000 0.847 440 D CB -0.039 40.565 40.800 -0.327 0.000 0.988 440 D HN 0.290 nan 8.370 nan 0.000 0.480 441 F N -0.809 118.980 119.950 -0.268 0.000 2.643 441 F HA 0.432 4.966 4.527 0.012 0.000 0.314 441 F C -0.169 175.706 175.800 0.125 0.000 1.096 441 F CA -1.028 56.936 58.000 -0.059 0.000 0.953 441 F CB 1.552 40.551 39.000 -0.001 0.000 1.345 441 F HN -0.436 nan 8.300 nan 0.000 0.468 442 M N 2.735 122.580 119.600 0.407 0.000 2.336 442 M HA 0.537 5.024 4.480 0.012 0.000 0.342 442 M C -1.169 175.326 176.300 0.326 0.000 1.128 442 M CA -0.395 55.152 55.300 0.412 0.000 1.016 442 M CB 1.888 34.755 32.600 0.446 0.000 1.665 442 M HN 0.346 nan 8.290 nan 0.000 0.445 443 I N 2.423 123.120 120.570 0.211 0.000 2.359 443 I HA 0.718 4.895 4.170 0.012 0.000 0.284 443 I C 0.302 176.187 176.117 -0.387 0.000 1.018 443 I CA -0.248 61.049 61.300 -0.006 0.000 1.173 443 I CB 1.267 39.266 38.000 -0.003 0.000 1.326 443 I HN 0.887 nan 8.210 nan 0.000 0.462 444 G N 4.638 113.081 108.800 -0.596 0.000 2.490 444 G HA2 0.225 4.191 3.960 0.012 0.000 0.308 444 G HA3 0.225 4.191 3.960 0.012 0.000 0.308 444 G C -1.496 173.061 174.900 -0.572 0.000 1.286 444 G CA -0.710 43.626 45.100 -1.273 0.000 0.825 444 G HN 0.550 nan 8.290 nan 0.000 0.479 445 N N -0.914 117.544 118.700 -0.403 0.000 2.405 445 N HA 0.325 5.072 4.740 0.012 0.000 0.269 445 N C 1.214 176.732 175.510 0.014 0.000 1.249 445 N CA 0.348 53.326 53.050 -0.120 0.000 0.974 445 N CB 0.743 39.172 38.487 -0.097 0.000 1.204 445 N HN 0.237 nan 8.380 nan 0.000 0.565 446 S N -1.324 114.248 115.700 -0.214 0.000 2.419 446 S HA -0.101 4.376 4.470 0.012 0.000 0.233 446 S C 1.198 175.717 174.600 -0.136 0.000 1.016 446 S CA 0.750 58.811 58.200 -0.232 0.000 0.974 446 S CB -0.752 62.215 63.200 -0.389 0.000 0.786 446 S HN 0.518 nan 8.310 nan 0.000 0.492 447 Y N 1.612 121.997 120.300 0.142 0.000 2.403 447 Y HA -0.034 4.523 4.550 0.011 0.000 0.291 447 Y C 2.552 178.617 175.900 0.275 0.000 1.143 447 Y CA 0.350 58.611 58.100 0.268 0.000 1.257 447 Y CB -1.172 37.449 38.460 0.269 0.000 0.984 447 Y HN 0.326 nan 8.280 nan 0.000 0.550 448 G N 0.737 109.837 108.800 0.499 0.000 2.479 448 G HA2 -0.294 3.673 3.960 0.012 0.000 0.220 448 G HA3 -0.294 3.673 3.960 0.012 0.000 0.220 448 G C 1.714 176.735 174.900 0.201 0.000 1.115 448 G CA 1.018 46.391 45.100 0.455 0.000 0.757 448 G HN 0.551 nan 8.290 nan 0.000 0.560 449 K N -0.387 120.013 120.400 -0.000 0.000 2.209 449 K HA -0.037 4.290 4.320 0.012 0.000 0.204 449 K C 1.806 178.302 176.600 -0.173 0.000 1.048 449 K CA 1.106 57.292 56.287 -0.167 0.000 0.940 449 K CB -0.447 31.838 32.500 -0.358 0.000 0.729 449 K HN 0.274 nan 8.250 nan 0.000 0.451 450 F N 1.603 121.635 119.950 0.137 0.000 2.456 450 F HA 0.118 4.651 4.527 0.010 0.000 0.298 450 F C 2.026 177.894 175.800 0.114 0.000 1.104 450 F CA 0.344 58.422 58.000 0.130 0.000 1.435 450 F CB -0.224 38.870 39.000 0.158 0.000 1.078 450 F HN -0.081 nan 8.300 nan 0.000 0.546 451 I N -0.454 120.250 120.570 0.223 0.000 2.333 451 I HA -0.246 3.931 4.170 0.012 0.000 0.246 451 I C 2.561 178.696 176.117 0.031 0.000 1.106 451 I CA 1.072 62.419 61.300 0.079 0.000 1.411 451 I CB -0.502 37.496 38.000 -0.005 0.000 1.082 451 I HN 0.154 nan 8.210 nan 0.000 0.420 452 Q N 1.256 121.092 119.800 0.059 0.000 2.096 452 Q HA -0.261 4.086 4.340 0.012 0.000 0.204 452 Q C 2.487 178.532 176.000 0.075 0.000 0.982 452 Q CA 1.509 57.337 55.803 0.042 0.000 0.850 452 Q CB -0.111 28.656 28.738 0.049 0.000 0.901 452 Q HN 0.240 nan 8.270 nan 0.000 0.422 453 R N 0.539 121.101 120.500 0.104 0.000 2.091 453 R HA -0.178 4.169 4.340 0.012 0.000 0.238 453 R C 1.340 177.764 176.300 0.207 0.000 1.136 453 R CA 2.070 58.252 56.100 0.136 0.000 0.959 453 R CB -0.461 29.933 30.300 0.158 0.000 0.856 453 R HN 0.427 nan 8.270 nan 0.000 0.437 454 D N -0.428 120.129 120.400 0.263 0.000 2.117 454 D HA -0.120 4.527 4.640 0.012 0.000 0.198 454 D C 1.900 178.546 176.300 0.576 0.000 0.982 454 D CA 2.190 56.468 54.000 0.463 0.000 0.828 454 D CB -0.455 40.618 40.800 0.455 0.000 0.967 454 D HN 0.466 nan 8.370 nan 0.000 0.464 455 T N 0.003 114.692 114.554 0.226 0.000 2.708 455 T HA -0.177 4.180 4.350 0.012 0.000 0.266 455 T C 2.082 176.966 174.700 0.308 0.000 1.037 455 T CA 0.838 63.029 62.100 0.152 0.000 1.146 455 T CB -0.684 68.106 68.868 -0.130 0.000 0.865 455 T HN 0.045 nan 8.240 nan 0.000 0.435 456 L N 1.187 122.544 121.223 0.222 0.000 2.079 456 L HA -0.129 4.218 4.340 0.012 0.000 0.210 456 L C 2.526 179.549 176.870 0.254 0.000 1.081 456 L CA 1.986 56.946 54.840 0.200 0.000 0.752 456 L CB -1.119 41.020 42.059 0.133 0.000 0.896 456 L HN 0.516 nan 8.230 nan 0.000 0.433 457 H N -0.503 118.670 119.070 0.173 0.000 2.387 457 H HA -0.206 4.353 4.556 0.006 0.000 0.299 457 H C 2.234 177.649 175.328 0.144 0.000 1.090 457 H CA 1.733 57.807 56.048 0.043 0.000 1.332 457 H CB 0.312 29.951 29.762 -0.204 0.000 1.386 457 H HN 0.388 nan 8.280 nan 0.000 0.516 458 K N 0.220 120.853 120.400 0.388 0.000 2.097 458 K HA -0.025 4.302 4.320 0.012 0.000 0.206 458 K C 0.249 177.032 176.600 0.306 0.000 1.049 458 K CA 1.078 57.548 56.287 0.305 0.000 0.933 458 K CB 0.164 32.805 32.500 0.236 0.000 0.717 458 K HN 0.442 nan 8.250 nan 0.000 0.442 459 G N -0.333 108.730 108.800 0.438 0.000 2.368 459 G HA2 -0.011 3.956 3.960 0.012 0.000 0.303 459 G HA3 -0.011 3.956 3.960 0.012 0.000 0.303 459 G C -0.711 174.337 174.900 0.247 0.000 1.590 459 G CA -0.281 45.055 45.100 0.394 0.000 0.938 459 G HN -0.023 nan 8.290 nan 0.000 0.675 460 K N 0.649 121.100 120.400 0.085 0.000 2.103 460 K HA -0.119 4.208 4.320 0.012 0.000 0.207 460 K C 2.263 178.814 176.600 -0.082 0.000 1.048 460 K CA 2.595 58.888 56.287 0.010 0.000 0.930 460 K CB -0.010 32.483 32.500 -0.011 0.000 0.716 460 K HN 0.641 nan 8.250 nan 0.000 0.444 461 E N -0.503 119.559 120.200 -0.230 0.000 2.338 461 E HA -0.173 4.184 4.350 0.012 0.000 0.197 461 E C 1.010 177.321 176.600 -0.481 0.000 1.007 461 E CA 0.960 57.113 56.400 -0.413 0.000 0.849 461 E CB -0.291 29.064 29.700 -0.577 0.000 0.774 461 E HN 0.418 nan 8.360 nan 0.000 0.506 462 F N 1.467 121.425 119.950 0.013 0.000 2.749 462 F HA 0.255 4.787 4.527 0.010 0.000 0.300 462 F C 1.086 176.874 175.800 -0.020 0.000 1.103 462 F CA -0.489 57.525 58.000 0.023 0.000 1.342 462 F CB 0.067 39.133 39.000 0.110 0.000 1.098 462 F HN -0.076 nan 8.300 nan 0.000 0.586 463 E N 1.762 122.020 120.200 0.096 0.000 2.417 463 E HA 0.169 4.526 4.350 0.012 0.000 0.261 463 E C -0.838 175.718 176.600 -0.072 0.000 1.000 463 E CA -0.068 56.348 56.400 0.027 0.000 0.919 463 E CB 0.753 30.464 29.700 0.018 0.000 0.955 463 E HN -0.081 nan 8.360 nan 0.000 0.455 464 V N 7.947 127.811 119.914 -0.085 0.000 2.293 464 V HA 0.258 4.385 4.120 0.012 0.000 0.275 464 V C -2.206 173.852 176.094 -0.060 0.000 1.021 464 V CA -1.892 60.328 62.300 -0.133 0.000 0.815 464 V CB 0.945 32.705 31.823 -0.106 0.000 1.025 464 V HN 0.720 nan 8.190 nan 0.000 0.448 465 P HA 0.146 nan 4.420 nan 0.000 0.271 465 P C -0.473 176.968 177.300 0.235 0.000 1.216 465 P CA -0.338 62.819 63.100 0.095 0.000 0.776 465 P CB 0.703 32.506 31.700 0.172 0.000 0.881 466 L N 4.518 125.855 121.223 0.190 0.000 2.326 466 L HA 0.360 4.707 4.340 0.012 0.000 0.278 466 L C -0.613 176.359 176.870 0.170 0.000 1.092 466 L CA 0.004 54.960 54.840 0.194 0.000 0.810 466 L CB -0.051 42.093 42.059 0.143 0.000 1.153 466 L HN 0.247 nan 8.230 nan 0.000 0.439 467 I N 5.625 126.286 120.570 0.151 0.000 2.354 467 I HA 0.364 4.541 4.170 0.012 0.000 0.286 467 I C 0.018 176.146 176.117 0.019 0.000 1.007 467 I CA -0.566 60.779 61.300 0.075 0.000 1.167 467 I CB 0.842 38.881 38.000 0.065 0.000 1.320 467 I HN 0.514 nan 8.210 nan 0.000 0.458 468 R N 7.255 127.761 120.500 0.009 0.000 2.351 468 R HA 0.490 4.837 4.340 0.012 0.000 0.321 468 R C -0.839 175.473 176.300 0.020 0.000 1.182 468 R CA 0.166 56.257 56.100 -0.014 0.000 1.011 468 R CB 0.036 30.327 30.300 -0.015 0.000 1.048 468 R HN 0.548 nan 8.270 nan 0.000 0.490 469 I N 1.868 122.445 120.570 0.013 0.000 2.478 469 I HA 0.568 4.745 4.170 0.012 0.000 0.287 469 I C 0.589 176.710 176.117 0.008 0.000 1.042 469 I CA -0.482 60.891 61.300 0.123 0.000 1.067 469 I CB 2.140 40.258 38.000 0.197 0.000 1.233 469 I HN 0.778 nan 8.210 nan 0.000 0.431 470 G N 5.214 113.997 108.800 -0.029 0.000 2.260 470 G HA2 0.134 4.101 3.960 0.012 0.000 0.250 470 G HA3 0.134 4.101 3.960 0.012 0.000 0.250 470 G C -2.044 172.708 174.900 -0.247 0.000 1.340 470 G CA -0.655 44.219 45.100 -0.376 0.000 1.056 470 G HN 0.485 nan 8.290 nan 0.000 0.471 471 F N 2.255 121.959 119.950 -0.410 0.000 2.596 471 F HA 0.729 5.264 4.527 0.013 0.000 0.311 471 F C -2.409 173.184 175.800 -0.345 0.000 1.116 471 F CA -1.782 55.926 58.000 -0.486 0.000 0.957 471 F CB 2.666 41.391 39.000 -0.458 0.000 1.250 471 F HN 0.466 nan 8.300 nan 0.000 0.444 472 P HA 0.432 nan 4.420 nan 0.000 0.286 472 P C -0.930 175.722 177.300 -1.079 0.000 1.261 472 P CA -0.219 61.822 63.100 -1.765 0.000 0.821 472 P CB 2.119 32.207 31.700 -2.687 0.000 1.013 473 I N 3.114 123.344 120.570 -0.567 0.000 2.359 473 I HA 0.198 4.375 4.170 0.012 0.000 0.284 473 I C 0.398 176.340 176.117 -0.291 0.000 1.018 473 I CA -0.427 60.639 61.300 -0.390 0.000 1.173 473 I CB 0.499 38.403 38.000 -0.160 0.000 1.326 473 I HN 0.188 nan 8.210 nan 0.000 0.462 474 F N 2.610 122.411 119.950 -0.248 0.000 2.678 474 F HA 0.038 4.572 4.527 0.011 0.000 0.291 474 F C 1.816 177.524 175.800 -0.153 0.000 1.123 474 F CA -0.114 57.749 58.000 -0.229 0.000 1.395 474 F CB -0.114 38.733 39.000 -0.256 0.000 1.121 474 F HN 0.498 nan 8.300 nan 0.000 0.592 475 D N -0.870 119.556 120.400 0.043 0.000 2.368 475 D HA 0.089 4.736 4.640 0.012 0.000 0.218 475 D C 0.510 176.840 176.300 0.051 0.000 1.112 475 D CA 0.218 54.238 54.000 0.034 0.000 0.834 475 D CB 0.263 41.050 40.800 -0.022 0.000 0.953 475 D HN -0.040 nan 8.370 nan 0.000 0.505 476 R N -0.047 120.485 120.500 0.054 0.000 2.837 476 R HA 0.388 4.735 4.340 0.012 0.000 0.271 476 R C -0.571 175.802 176.300 0.121 0.000 0.993 476 R CA -0.595 55.562 56.100 0.094 0.000 0.931 476 R CB 1.215 31.536 30.300 0.035 0.000 1.206 476 R HN 0.235 nan 8.270 nan 0.000 0.474 477 H N 2.277 121.276 119.070 -0.118 0.000 2.489 477 H HA 0.216 4.779 4.556 0.011 0.000 0.322 477 H C -0.078 175.132 175.328 -0.197 0.000 1.091 477 H CA -0.371 55.497 56.048 -0.300 0.000 1.291 477 H CB 0.926 30.460 29.762 -0.380 0.000 1.436 477 H HN 0.626 nan 8.280 nan 0.000 0.480 478 H N 1.569 120.741 119.070 0.170 0.000 3.109 478 H HA -0.167 4.397 4.556 0.012 0.000 0.245 478 H C 1.145 176.440 175.328 -0.055 0.000 1.187 478 H CA 0.470 56.559 56.048 0.069 0.000 1.136 478 H CB -1.436 28.356 29.762 0.050 0.000 1.243 478 H HN 0.674 nan 8.280 nan 0.000 0.328 479 L N 1.040 122.318 121.223 0.092 0.000 2.376 479 L HA -0.099 4.248 4.340 0.012 0.000 0.219 479 L C 2.746 179.712 176.870 0.160 0.000 1.133 479 L CA 1.310 56.212 54.840 0.103 0.000 0.816 479 L CB -0.455 41.668 42.059 0.107 0.000 0.933 479 L HN 0.492 nan 8.230 nan 0.000 0.449 480 H N 0.237 119.300 119.070 -0.011 0.000 2.545 480 H HA -0.071 4.492 4.556 0.011 0.000 0.282 480 H C 1.589 177.064 175.328 0.244 0.000 1.020 480 H CA 0.482 56.519 56.048 -0.017 0.000 1.243 480 H CB -0.223 29.357 29.762 -0.302 0.000 1.377 480 H HN 0.372 nan 8.280 nan 0.000 0.581 481 R N 1.068 121.383 120.500 -0.309 0.000 2.307 481 R HA 0.104 4.450 4.340 0.012 0.000 0.199 481 R C 0.570 176.895 176.300 0.042 0.000 1.000 481 R CA 0.131 56.150 56.100 -0.135 0.000 1.023 481 R CB 0.297 30.478 30.300 -0.200 0.000 0.908 481 R HN 0.146 nan 8.270 nan 0.000 0.473 482 S N 0.382 116.158 115.700 0.127 0.000 2.617 482 S HA 0.165 4.642 4.470 0.012 0.000 0.259 482 S C 0.311 174.861 174.600 -0.082 0.000 1.301 482 S CA -0.098 58.109 58.200 0.011 0.000 0.984 482 S CB 1.339 64.509 63.200 -0.049 0.000 0.954 482 S HN 0.024 nan 8.310 nan 0.000 0.572 483 T N 0.960 115.391 114.554 -0.205 0.000 2.848 483 T HA 0.509 4.866 4.350 0.012 0.000 0.285 483 T C 0.822 175.325 174.700 -0.328 0.000 0.995 483 T CA -0.698 61.267 62.100 -0.226 0.000 0.970 483 T CB 1.585 70.373 68.868 -0.134 0.000 0.976 483 T HN 0.748 nan 8.240 nan 0.000 0.441 484 T N 0.009 114.361 114.554 -0.338 0.000 2.975 484 T HA 0.390 4.747 4.350 0.012 0.000 0.257 484 T C 0.532 175.100 174.700 -0.220 0.000 1.003 484 T CA -0.196 61.741 62.100 -0.271 0.000 0.932 484 T CB -0.004 68.743 68.868 -0.202 0.000 1.087 484 T HN 0.346 nan 8.240 nan 0.000 0.512 485 L N 1.620 122.714 121.223 -0.215 0.000 2.399 485 L HA 0.661 5.008 4.340 0.012 0.000 0.265 485 L C 1.311 178.017 176.870 -0.272 0.000 1.089 485 L CA -0.084 54.612 54.840 -0.240 0.000 0.802 485 L CB 0.596 42.502 42.059 -0.255 0.000 1.180 485 L HN 0.563 nan 8.230 nan 0.000 0.454 486 G N 0.105 108.705 108.800 -0.333 0.000 2.752 486 G HA2 -0.316 3.651 3.960 0.012 0.000 0.234 486 G HA3 -0.316 3.651 3.960 0.012 0.000 0.234 486 G C -0.061 174.630 174.900 -0.348 0.000 1.367 486 G CA 0.319 45.177 45.100 -0.404 0.000 0.879 486 G HN 0.562 nan 8.290 nan 0.000 0.563 487 Y N 0.186 120.413 120.300 -0.122 0.000 2.200 487 Y HA 0.008 4.565 4.550 0.011 0.000 0.290 487 Y C 2.841 178.661 175.900 -0.133 0.000 1.137 487 Y CA 1.941 59.968 58.100 -0.121 0.000 1.163 487 Y CB -0.583 37.840 38.460 -0.063 0.000 0.988 487 Y HN 0.807 nan 8.280 nan 0.000 0.518 488 E N 0.019 120.236 120.200 0.029 0.000 2.070 488 E HA -0.199 4.158 4.350 0.012 0.000 0.197 488 E C 2.547 179.091 176.600 -0.094 0.000 1.004 488 E CA 1.463 57.847 56.400 -0.026 0.000 0.805 488 E CB -0.584 29.096 29.700 -0.034 0.000 0.744 488 E HN 0.486 nan 8.360 nan 0.000 0.451 489 G N 0.386 109.091 108.800 -0.157 0.000 2.402 489 G HA2 -0.215 3.752 3.960 0.012 0.000 0.216 489 G HA3 -0.215 3.752 3.960 0.012 0.000 0.216 489 G C 1.661 176.393 174.900 -0.280 0.000 1.162 489 G CA 0.884 45.855 45.100 -0.216 0.000 0.777 489 G HN 0.431 nan 8.290 nan 0.000 0.539 490 A N 0.765 123.357 122.820 -0.381 0.000 1.908 490 A HA -0.018 4.309 4.320 0.012 0.000 0.218 490 A C 2.459 179.899 177.584 -0.241 0.000 1.181 490 A CA 1.856 53.492 52.037 -0.667 0.000 0.627 490 A CB -0.390 18.170 19.000 -0.734 0.000 0.818 490 A HN 0.383 nan 8.150 nan 0.000 0.445 491 M N -1.071 118.469 119.600 -0.100 0.000 2.117 491 M HA -0.240 4.247 4.480 0.012 0.000 0.262 491 M C 2.470 178.762 176.300 -0.013 0.000 1.065 491 M CA 1.765 57.059 55.300 -0.009 0.000 1.114 491 M CB -0.435 32.162 32.600 -0.005 0.000 1.361 491 M HN 0.506 nan 8.290 nan 0.000 0.408 492 Q N 0.177 119.943 119.800 -0.058 0.000 2.079 492 Q HA -0.119 4.228 4.340 0.012 0.000 0.200 492 Q C 1.995 177.970 176.000 -0.042 0.000 0.974 492 Q CA 1.281 57.049 55.803 -0.058 0.000 0.840 492 Q CB -0.115 28.566 28.738 -0.095 0.000 0.898 492 Q HN 0.559 nan 8.270 nan 0.000 0.430 493 I N 0.561 121.109 120.570 -0.037 0.000 2.202 493 I HA -0.256 3.921 4.170 0.012 0.000 0.242 493 I C 2.304 178.478 176.117 0.095 0.000 1.091 493 I CA 0.471 61.788 61.300 0.028 0.000 1.368 493 I CB -0.341 37.703 38.000 0.074 0.000 1.058 493 I HN 0.285 nan 8.210 nan 0.000 0.410 494 L N 0.944 122.291 121.223 0.207 0.000 2.010 494 L HA -0.290 4.057 4.340 0.012 0.000 0.219 494 L C 2.475 179.364 176.870 0.032 0.000 1.077 494 L CA 2.538 57.461 54.840 0.138 0.000 0.773 494 L CB -1.373 40.799 42.059 0.189 0.000 0.892 494 L HN 0.290 nan 8.230 nan 0.000 0.436 495 T N -0.647 113.919 114.554 0.020 0.000 2.746 495 T HA -0.146 4.211 4.350 0.012 0.000 0.267 495 T C 1.789 176.468 174.700 -0.035 0.000 1.039 495 T CA 1.887 63.982 62.100 -0.009 0.000 1.142 495 T CB -0.411 68.451 68.868 -0.011 0.000 0.866 495 T HN 0.446 nan 8.240 nan 0.000 0.444 496 T N 2.558 117.090 114.554 -0.038 0.000 2.708 496 T HA 0.025 4.382 4.350 0.012 0.000 0.266 496 T C 2.017 176.661 174.700 -0.093 0.000 1.037 496 T CA 0.923 62.989 62.100 -0.058 0.000 1.146 496 T CB -0.526 68.313 68.868 -0.049 0.000 0.865 496 T HN 0.229 nan 8.240 nan 0.000 0.435 497 L N 0.678 121.843 121.223 -0.096 0.000 1.989 497 L HA -0.114 4.233 4.340 0.012 0.000 0.211 497 L C 2.703 179.493 176.870 -0.133 0.000 1.071 497 L CA 1.123 55.882 54.840 -0.134 0.000 0.749 497 L CB -0.744 41.224 42.059 -0.152 0.000 0.890 497 L HN 0.153 nan 8.230 nan 0.000 0.431 498 V N -0.110 119.757 119.914 -0.079 0.000 2.358 498 V HA -0.261 3.866 4.120 0.012 0.000 0.246 498 V C 1.907 177.923 176.094 -0.130 0.000 1.047 498 V CA 2.159 64.422 62.300 -0.061 0.000 1.035 498 V CB -0.794 31.024 31.823 -0.010 0.000 0.658 498 V HN 0.501 nan 8.190 nan 0.000 0.452 499 N N -0.176 118.451 118.700 -0.122 0.000 2.331 499 N HA -0.112 4.635 4.740 0.012 0.000 0.180 499 N C 1.973 177.398 175.510 -0.142 0.000 1.019 499 N CA 1.071 54.041 53.050 -0.132 0.000 0.881 499 N CB -0.082 38.350 38.487 -0.093 0.000 0.972 499 N HN 0.327 nan 8.380 nan 0.000 0.435 500 S N 1.019 116.612 115.700 -0.179 0.000 2.368 500 S HA -0.043 4.433 4.470 0.012 0.000 0.225 500 S C 1.927 176.385 174.600 -0.237 0.000 1.030 500 S CA 0.779 58.844 58.200 -0.226 0.000 0.999 500 S CB -0.135 62.840 63.200 -0.376 0.000 0.844 500 S HN 0.256 nan 8.310 nan 0.000 0.459 501 I N 1.301 121.680 120.570 -0.319 0.000 2.226 501 I HA -0.180 3.997 4.170 0.012 0.000 0.245 501 I C 2.002 178.069 176.117 -0.083 0.000 1.100 501 I CA 1.139 62.390 61.300 -0.081 0.000 1.374 501 I CB -0.326 37.651 38.000 -0.038 0.000 1.057 501 I HN 0.225 nan 8.210 nan 0.000 0.413 502 L N 0.162 121.247 121.223 -0.229 0.000 2.156 502 L HA -0.132 4.215 4.340 0.012 0.000 0.208 502 L C 2.559 179.312 176.870 -0.194 0.000 1.095 502 L CA 1.075 55.710 54.840 -0.341 0.000 0.770 502 L CB -0.542 41.263 42.059 -0.425 0.000 0.914 502 L HN 0.295 nan 8.230 nan 0.000 0.439 503 E N 0.045 120.179 120.200 -0.109 0.000 2.072 503 E HA -0.254 4.102 4.350 0.012 0.000 0.191 503 E C 2.129 178.729 176.600 -0.001 0.000 0.985 503 E CA 0.821 57.192 56.400 -0.049 0.000 0.801 503 E CB -0.171 29.516 29.700 -0.023 0.000 0.750 503 E HN 0.236 nan 8.360 nan 0.000 0.452 504 R N 1.677 122.211 120.500 0.057 0.000 2.073 504 R HA -0.074 4.273 4.340 0.012 0.000 0.234 504 R C 2.254 178.569 176.300 0.025 0.000 1.134 504 R CA 1.034 57.188 56.100 0.090 0.000 0.952 504 R CB -0.769 29.678 30.300 0.245 0.000 0.850 504 R HN 0.205 nan 8.270 nan 0.000 0.433 505 L N 0.248 121.465 121.223 -0.011 0.000 2.012 505 L HA -0.233 4.114 4.340 0.012 0.000 0.210 505 L C 1.465 178.322 176.870 -0.023 0.000 1.073 505 L CA 2.013 56.827 54.840 -0.043 0.000 0.748 505 L CB -0.531 41.444 42.059 -0.141 0.000 0.891 505 L HN 0.306 nan 8.230 nan 0.000 0.431 506 D N -0.410 119.971 120.400 -0.033 0.000 2.123 506 D HA -0.247 4.400 4.640 0.012 0.000 0.196 506 D C 1.986 178.354 176.300 0.114 0.000 0.992 506 D CA 1.221 55.258 54.000 0.061 0.000 0.833 506 D CB 0.047 40.845 40.800 -0.004 0.000 0.954 506 D HN 0.412 nan 8.370 nan 0.000 0.455 507 E N 0.672 120.896 120.200 0.040 0.000 2.051 507 E HA -0.181 4.176 4.350 0.012 0.000 0.192 507 E C 1.710 178.300 176.600 -0.016 0.000 0.991 507 E CA 0.929 57.337 56.400 0.013 0.000 0.799 507 E CB 0.098 29.803 29.700 0.008 0.000 0.748 507 E HN 0.310 nan 8.360 nan 0.000 0.449 508 E N -0.551 119.638 120.200 -0.018 0.000 2.265 508 E HA -0.122 4.235 4.350 0.012 0.000 0.196 508 E C 1.360 177.921 176.600 -0.065 0.000 0.996 508 E CA 1.439 57.814 56.400 -0.041 0.000 0.832 508 E CB 0.063 29.740 29.700 -0.039 0.000 0.756 508 E HN 0.327 nan 8.360 nan 0.000 0.491 509 T N -2.142 112.383 114.554 -0.047 0.000 3.243 509 T HA 0.267 4.624 4.350 0.012 0.000 0.264 509 T C 1.084 175.648 174.700 -0.227 0.000 1.000 509 T CA -0.462 61.580 62.100 -0.097 0.000 0.901 509 T CB 0.313 69.166 68.868 -0.025 0.000 1.083 509 T HN -0.091 nan 8.240 nan 0.000 0.559 510 R N 0.891 121.228 120.500 -0.272 0.000 2.334 510 R HA 0.341 4.688 4.340 0.012 0.000 0.216 510 R C 1.152 177.269 176.300 -0.306 0.000 0.905 510 R CA -0.093 55.714 56.100 -0.489 0.000 1.064 510 R CB -0.202 29.939 30.300 -0.265 0.000 1.046 510 R HN 0.449 nan 8.270 nan 0.000 0.508 511 G N 1.297 109.977 108.800 -0.200 0.000 2.356 511 G HA2 0.154 4.121 3.960 0.012 0.000 0.273 511 G HA3 0.154 4.121 3.960 0.012 0.000 0.273 511 G C -0.352 174.485 174.900 -0.105 0.000 1.213 511 G CA -0.466 44.561 45.100 -0.121 0.000 0.955 511 G HN 0.183 nan 8.290 nan 0.000 0.454 512 M N 2.564 122.116 119.600 -0.081 0.000 2.327 512 M HA 0.086 4.573 4.480 0.012 0.000 0.353 512 M C 1.222 177.514 176.300 -0.014 0.000 1.539 512 M CA 0.887 56.158 55.300 -0.049 0.000 1.039 512 M CB 0.019 32.598 32.600 -0.035 0.000 1.967 512 M HN 0.871 nan 8.290 nan 0.000 0.459 513 Q N 1.656 121.461 119.800 0.009 0.000 2.305 513 Q HA -0.315 4.032 4.340 0.012 0.000 0.203 513 Q C 0.107 176.147 176.000 0.066 0.000 0.663 513 Q CA 1.281 57.109 55.803 0.042 0.000 1.389 513 Q CB -1.449 27.305 28.738 0.027 0.000 1.566 513 Q HN 0.957 nan 8.270 nan 0.000 0.755 514 A N -1.168 121.681 122.820 0.049 0.000 1.983 514 A HA 0.153 4.480 4.320 0.012 0.000 0.207 514 A C 1.570 179.217 177.584 0.105 0.000 1.412 514 A CA 1.266 53.343 52.037 0.066 0.000 0.750 514 A CB 0.139 19.151 19.000 0.019 0.000 1.047 514 A HN 0.667 nan 8.150 nan 0.000 0.504 515 T N -2.451 112.084 114.554 -0.031 0.000 3.058 515 T HA 0.070 4.426 4.350 0.012 0.000 0.278 515 T C 0.681 175.115 174.700 -0.443 0.000 0.974 515 T CA 0.723 62.674 62.100 -0.249 0.000 0.893 515 T CB 0.055 68.808 68.868 -0.191 0.000 1.138 515 T HN 0.392 nan 8.240 nan 0.000 0.529 516 D N 1.618 121.885 120.400 -0.220 0.000 2.363 516 D HA -0.115 4.532 4.640 0.012 0.000 0.226 516 D C 1.656 177.923 176.300 -0.055 0.000 1.020 516 D CA 0.156 54.056 54.000 -0.166 0.000 0.892 516 D CB -0.724 39.982 40.800 -0.156 0.000 0.900 516 D HN 0.664 nan 8.370 nan 0.000 0.531 517 Y N 0.852 121.177 120.300 0.041 0.000 2.256 517 Y HA -0.123 4.434 4.550 0.011 0.000 0.288 517 Y C 1.498 177.439 175.900 0.069 0.000 1.155 517 Y CA 1.346 59.475 58.100 0.048 0.000 1.203 517 Y CB -1.301 37.178 38.460 0.032 0.000 0.980 517 Y HN -0.024 nan 8.280 nan 0.000 0.530 518 N N -0.187 118.310 118.700 -0.339 0.000 2.276 518 N HA -0.090 4.657 4.740 0.012 0.000 0.212 518 N C -0.100 175.405 175.510 -0.007 0.000 1.127 518 N CA -0.044 52.942 53.050 -0.108 0.000 0.834 518 N CB -0.705 37.651 38.487 -0.218 0.000 1.014 518 N HN 0.553 nan 8.380 nan 0.000 0.491 519 H N 0.595 119.604 119.070 -0.102 0.000 2.768 519 H HA 0.080 4.643 4.556 0.012 0.000 0.219 519 H C -0.780 174.531 175.328 -0.029 0.000 1.898 519 H CA -0.576 55.429 56.048 -0.072 0.000 1.313 519 H CB -0.255 29.463 29.762 -0.072 0.000 1.701 519 H HN 0.233 nan 8.280 nan 0.000 0.534 520 D N 1.935 122.292 120.400 -0.072 0.000 2.455 520 D HA -0.103 4.544 4.640 0.012 0.000 0.241 520 D C 1.432 177.660 176.300 -0.121 0.000 1.138 520 D CA -0.122 53.850 54.000 -0.047 0.000 0.877 520 D CB 1.476 42.284 40.800 0.014 0.000 1.187 520 D HN 0.419 nan 8.370 nan 0.000 0.451 521 L N 3.545 124.727 121.223 -0.069 0.000 2.046 521 L HA -0.066 4.281 4.340 0.012 0.000 0.208 521 L C 0.297 177.135 176.870 -0.055 0.000 1.077 521 L CA 1.464 56.261 54.840 -0.071 0.000 0.747 521 L CB 0.292 42.332 42.059 -0.030 0.000 0.896 521 L HN 0.204 nan 8.230 nan 0.000 0.432 522 V N 2.039 121.943 119.914 -0.018 0.000 2.370 522 V HA 0.462 4.589 4.120 0.012 0.000 0.283 522 V C 0.038 176.159 176.094 0.044 0.000 1.023 522 V CA -0.631 61.674 62.300 0.007 0.000 0.857 522 V CB 1.176 33.012 31.823 0.022 0.000 0.985 522 V HN 0.298 nan 8.190 nan 0.000 0.443 523 R N 0.000 120.530 120.500 0.050 0.000 2.786 523 R HA 0.000 4.347 4.340 0.012 0.000 0.208 523 R CA 0.000 56.197 56.100 0.161 0.000 0.921 523 R CB 0.000 30.266 30.300 -0.057 0.000 0.687 523 R HN 0.000 nan 8.270 nan 0.000 0.535