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 1d8w_1_B DATA FIRST_RESID 10 DATA SEQUENCE TTQLEQAWEL AKQRFAAVGI DVEEALRQLD RLPVSXHCWQ GDDVSGFEXX DATA SEQUENCE XXXXXXXXXX XXXYPGKARN ASELRADLEQ AXRLIPGPKR LNLHAIYLES DATA SEQUENCE DTPVSRDQIK PEHFKNWVEW AKANQLGLDF NPSCFSHPLS ADGFTLSHAD DATA SEQUENCE DSIRQFWIDH CKASRRVSAY FGEQLGTPSV XNIWIPDGXK DITVDRLAPR DATA SEQUENCE QRLLAALDEV ISEKLNPAHH IDAVESKLFG IGAESYTVGS NEFYXGYATS DATA SEQUENCE RQTALCLDAG HFHPTEVISD KISAAXLYVP QLLLHVSRPV RWDSDHVVLL DATA SEQUENCE DDETQAIASE IVRHDLFDRV HIGLDFFDAS INRIAAWVIG TRNXKKALLR DATA SEQUENCE ALLEPTAELR KLEAPGDYTA RLALLEEQKS LPWQAVWEXY CQRHDTPAGS DATA SEQUENCE EWLESVRAYE KEILSRR 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 10 T HA 0.000 nan 4.350 nan 0.000 0.228 10 T C 0.000 174.710 174.700 0.017 0.000 1.109 10 T CA 0.000 62.112 62.100 0.019 0.000 1.349 10 T CB 0.000 68.889 68.868 0.035 0.000 0.612 11 T N 1.030 115.591 114.554 0.011 0.000 2.795 11 T HA 0.190 4.541 4.350 0.001 0.000 0.314 11 T C 1.402 176.116 174.700 0.022 0.000 1.069 11 T CA -0.156 61.949 62.100 0.009 0.000 1.071 11 T CB 0.490 69.356 68.868 -0.004 0.000 0.988 11 T HN 0.615 nan 8.240 nan 0.000 0.543 12 Q N -0.195 119.618 119.800 0.020 0.000 2.170 12 Q HA -0.073 4.267 4.340 0.001 0.000 0.203 12 Q C 2.160 178.187 176.000 0.045 0.000 0.976 12 Q CA 1.044 56.865 55.803 0.030 0.000 0.858 12 Q CB -0.373 28.378 28.738 0.022 0.000 0.907 12 Q HN 0.697 nan 8.270 nan 0.000 0.433 13 L N 1.086 122.331 121.223 0.036 0.000 2.017 13 L HA -0.216 4.124 4.340 0.001 0.000 0.208 13 L C 2.362 179.289 176.870 0.095 0.000 1.073 13 L CA 1.810 56.679 54.840 0.048 0.000 0.745 13 L CB -0.223 41.835 42.059 -0.001 0.000 0.894 13 L HN 0.092 nan 8.230 nan 0.000 0.432 14 E N -0.529 119.711 120.200 0.066 0.000 2.077 14 E HA -0.270 4.081 4.350 0.001 0.000 0.193 14 E C 2.163 178.870 176.600 0.177 0.000 0.989 14 E CA 1.701 58.170 56.400 0.115 0.000 0.800 14 E CB -0.162 29.573 29.700 0.059 0.000 0.746 14 E HN 0.601 nan 8.360 nan 0.000 0.452 15 Q N -0.466 119.401 119.800 0.111 0.000 2.050 15 Q HA -0.108 4.233 4.340 0.001 0.000 0.202 15 Q C 2.243 178.307 176.000 0.108 0.000 0.980 15 Q CA 1.520 57.380 55.803 0.096 0.000 0.840 15 Q CB -0.279 28.494 28.738 0.058 0.000 0.898 15 Q HN 0.405 nan 8.270 nan 0.000 0.424 16 A N 1.085 123.974 122.820 0.114 0.000 1.908 16 A HA -0.212 4.109 4.320 0.001 0.000 0.218 16 A C 1.767 179.447 177.584 0.160 0.000 1.181 16 A CA 1.216 53.318 52.037 0.108 0.000 0.627 16 A CB -1.197 17.860 19.000 0.095 0.000 0.818 16 A HN 0.740 nan 8.150 nan 0.000 0.445 17 W N 0.914 122.236 121.300 0.037 0.000 2.335 17 W HA -0.177 4.484 4.660 0.001 0.000 0.311 17 W C 1.711 178.268 176.519 0.063 0.000 1.213 17 W CA 2.045 59.424 57.345 0.057 0.000 1.274 17 W CB -0.208 29.276 29.460 0.040 0.000 1.148 17 W HN 0.370 nan 8.180 nan 0.000 0.498 18 E N 0.938 121.201 120.200 0.104 0.000 2.058 18 E HA -0.223 4.127 4.350 0.001 0.000 0.194 18 E C 2.306 178.855 176.600 -0.084 0.000 0.997 18 E CA 1.703 58.089 56.400 -0.023 0.000 0.801 18 E CB -1.047 28.694 29.700 0.068 0.000 0.746 18 E HN 0.433 nan 8.360 nan 0.000 0.450 19 L N 0.327 121.532 121.223 -0.030 0.000 1.989 19 L HA -0.224 4.116 4.340 0.001 0.000 0.211 19 L C 2.558 179.381 176.870 -0.078 0.000 1.071 19 L CA 1.504 56.319 54.840 -0.042 0.000 0.749 19 L CB -0.618 41.431 42.059 -0.018 0.000 0.890 19 L HN 0.080 nan 8.230 nan 0.000 0.431 20 A N -0.025 122.753 122.820 -0.070 0.000 1.933 20 A HA -0.257 4.064 4.320 0.001 0.000 0.218 20 A C 2.389 179.950 177.584 -0.039 0.000 1.175 20 A CA 1.987 54.010 52.037 -0.024 0.000 0.628 20 A CB -0.487 18.568 19.000 0.092 0.000 0.814 20 A HN 0.382 nan 8.150 nan 0.000 0.444 21 K N -0.400 119.832 120.400 -0.279 0.000 2.063 21 K HA -0.234 4.086 4.320 0.001 0.000 0.208 21 K C 2.193 178.728 176.600 -0.108 0.000 1.048 21 K CA 1.865 57.965 56.287 -0.311 0.000 0.928 21 K CB -0.230 31.976 32.500 -0.491 0.000 0.713 21 K HN 0.637 nan 8.250 nan 0.000 0.442 22 Q N -0.232 119.507 119.800 -0.102 0.000 2.046 22 Q HA -0.160 4.180 4.340 0.001 0.000 0.200 22 Q C 2.274 178.233 176.000 -0.069 0.000 0.975 22 Q CA 1.369 57.133 55.803 -0.065 0.000 0.836 22 Q CB -0.082 28.621 28.738 -0.059 0.000 0.896 22 Q HN 0.156 nan 8.270 nan 0.000 0.428 23 R N 0.268 120.700 120.500 -0.114 0.000 2.091 23 R HA -0.143 4.198 4.340 0.001 0.000 0.238 23 R C 1.740 177.902 176.300 -0.230 0.000 1.136 23 R CA 1.567 57.547 56.100 -0.200 0.000 0.959 23 R CB -0.361 29.759 30.300 -0.302 0.000 0.856 23 R HN 0.174 nan 8.270 nan 0.000 0.437 24 F N -0.201 119.709 119.950 -0.066 0.000 2.259 24 F HA 0.099 4.627 4.527 0.001 0.000 0.298 24 F C 2.285 178.059 175.800 -0.044 0.000 1.088 24 F CA 1.046 59.017 58.000 -0.048 0.000 1.358 24 F CB -0.668 38.296 39.000 -0.060 0.000 1.040 24 F HN 0.137 nan 8.300 nan 0.000 0.505 25 A N 0.046 122.928 122.820 0.103 0.000 1.972 25 A HA -0.092 4.229 4.320 0.001 0.000 0.219 25 A C 2.391 179.993 177.584 0.030 0.000 1.169 25 A CA 1.568 53.635 52.037 0.050 0.000 0.635 25 A CB -1.228 17.781 19.000 0.015 0.000 0.810 25 A HN 0.283 nan 8.150 nan 0.000 0.446 26 A N -0.247 122.576 122.820 0.005 0.000 2.070 26 A HA 0.052 4.373 4.320 0.001 0.000 0.220 26 A C 1.772 179.358 177.584 0.004 0.000 1.159 26 A CA 1.778 53.809 52.037 -0.010 0.000 0.656 26 A CB -0.756 18.220 19.000 -0.039 0.000 0.800 26 A HN 1.181 nan 8.150 nan 0.000 0.453 27 V N -4.721 115.212 119.914 0.031 0.000 3.214 27 V HA 0.595 4.716 4.120 0.001 0.000 0.330 27 V C 1.056 177.188 176.094 0.062 0.000 1.403 27 V CA 0.295 62.622 62.300 0.044 0.000 1.143 27 V CB -0.797 31.058 31.823 0.053 0.000 1.098 27 V HN 1.373 nan 8.190 nan 0.000 0.463 28 G N 1.109 109.942 108.800 0.056 0.000 2.160 28 G HA2 -0.180 3.781 3.960 0.001 0.000 0.244 28 G HA3 -0.180 3.781 3.960 0.001 0.000 0.244 28 G C -0.213 174.722 174.900 0.057 0.000 1.022 28 G CA 0.339 45.467 45.100 0.047 0.000 0.741 28 G HN 0.489 nan 8.290 nan 0.000 0.508 29 I N 0.780 121.405 120.570 0.091 0.000 2.404 29 I HA 0.353 4.523 4.170 0.001 0.000 0.293 29 I C -0.632 175.514 176.117 0.048 0.000 0.992 29 I CA -0.975 60.369 61.300 0.073 0.000 1.149 29 I CB 1.755 39.829 38.000 0.123 0.000 1.315 29 I HN 0.111 nan 8.210 nan 0.000 0.446 30 D N 5.886 126.291 120.400 0.008 0.000 2.359 30 D HA 0.159 4.800 4.640 0.001 0.000 0.230 30 D C 1.098 177.383 176.300 -0.025 0.000 1.118 30 D CA -0.435 53.566 54.000 0.002 0.000 0.844 30 D CB 1.617 42.426 40.800 0.015 0.000 1.059 30 D HN 0.371 nan 8.370 nan 0.000 0.493 31 V N 2.426 122.300 119.914 -0.067 0.000 2.427 31 V HA -0.109 4.012 4.120 0.001 0.000 0.248 31 V C 1.757 177.946 176.094 0.158 0.000 1.051 31 V CA 1.068 63.315 62.300 -0.089 0.000 1.048 31 V CB -0.385 31.206 31.823 -0.388 0.000 0.666 31 V HN 0.373 nan 8.190 nan 0.000 0.456 32 E N 0.622 120.948 120.200 0.210 0.000 2.051 32 E HA -0.234 4.117 4.350 0.001 0.000 0.192 32 E C 2.216 178.912 176.600 0.160 0.000 0.991 32 E CA 1.863 58.430 56.400 0.278 0.000 0.799 32 E CB -0.227 29.602 29.700 0.214 0.000 0.748 32 E HN 0.797 nan 8.360 nan 0.000 0.449 33 E N 1.002 121.258 120.200 0.093 0.000 2.077 33 E HA -0.122 4.229 4.350 0.001 0.000 0.193 33 E C 1.869 178.501 176.600 0.054 0.000 0.989 33 E CA 1.393 57.826 56.400 0.055 0.000 0.800 33 E CB -0.298 29.416 29.700 0.024 0.000 0.746 33 E HN 0.191 nan 8.360 nan 0.000 0.452 34 A N 0.633 123.481 122.820 0.046 0.000 1.908 34 A HA -0.180 4.141 4.320 0.001 0.000 0.218 34 A C 2.327 179.953 177.584 0.071 0.000 1.181 34 A CA 1.609 53.663 52.037 0.028 0.000 0.627 34 A CB -0.806 18.173 19.000 -0.035 0.000 0.818 34 A HN 0.360 nan 8.150 nan 0.000 0.445 35 L N -1.441 119.871 121.223 0.149 0.000 2.046 35 L HA -0.186 4.155 4.340 0.001 0.000 0.208 35 L C 2.840 179.844 176.870 0.224 0.000 1.077 35 L CA 1.804 56.781 54.840 0.229 0.000 0.747 35 L CB -0.532 41.719 42.059 0.320 0.000 0.896 35 L HN 0.456 nan 8.230 nan 0.000 0.432 36 R N -0.244 120.346 120.500 0.150 0.000 2.073 36 R HA -0.170 4.171 4.340 0.001 0.000 0.234 36 R C 2.408 178.757 176.300 0.082 0.000 1.134 36 R CA 1.321 57.485 56.100 0.108 0.000 0.952 36 R CB -0.025 30.307 30.300 0.055 0.000 0.850 36 R HN 0.381 nan 8.270 nan 0.000 0.433 37 Q N 0.287 120.118 119.800 0.050 0.000 2.170 37 Q HA -0.174 4.167 4.340 0.001 0.000 0.203 37 Q C 2.086 178.166 176.000 0.133 0.000 0.976 37 Q CA 0.893 56.718 55.803 0.037 0.000 0.858 37 Q CB -0.150 28.621 28.738 0.055 0.000 0.907 37 Q HN 0.261 nan 8.270 nan 0.000 0.433 38 L N 1.631 122.908 121.223 0.091 0.000 2.131 38 L HA -0.147 4.194 4.340 0.001 0.000 0.210 38 L C 1.221 178.163 176.870 0.121 0.000 1.092 38 L CA 1.764 56.618 54.840 0.023 0.000 0.759 38 L CB -0.434 41.465 42.059 -0.268 0.000 0.903 38 L HN 0.027 nan 8.230 nan 0.000 0.435 39 D N -0.492 120.032 120.400 0.208 0.000 2.378 39 D HA -0.089 4.551 4.640 0.001 0.000 0.222 39 D C 1.785 178.164 176.300 0.132 0.000 0.980 39 D CA 0.625 54.749 54.000 0.206 0.000 0.907 39 D CB -0.005 40.926 40.800 0.219 0.000 0.899 39 D HN 0.428 nan 8.370 nan 0.000 0.527 40 R N -0.239 120.344 120.500 0.138 0.000 2.317 40 R HA 0.228 4.569 4.340 0.001 0.000 0.208 40 R C 0.265 176.686 176.300 0.201 0.000 0.914 40 R CA 0.068 56.257 56.100 0.147 0.000 1.060 40 R CB 0.477 30.851 30.300 0.123 0.000 1.015 40 R HN 0.050 nan 8.270 nan 0.000 0.498 41 L N 2.209 123.522 121.223 0.151 0.000 2.445 41 L HA 0.378 4.719 4.340 0.001 0.000 0.252 41 L C -2.380 174.511 176.870 0.035 0.000 1.105 41 L CA -2.101 52.784 54.840 0.075 0.000 0.943 41 L CB 1.131 43.204 42.059 0.025 0.000 1.277 41 L HN -0.211 nan 8.230 nan 0.000 0.465 42 P HA 0.171 nan 4.420 nan 0.000 0.272 42 P C -0.600 176.701 177.300 0.001 0.000 1.230 42 P CA -0.205 62.903 63.100 0.013 0.000 0.788 42 P CB 1.274 32.982 31.700 0.014 0.000 0.949 43 V N 0.954 120.862 119.914 -0.010 0.000 2.487 43 V HA 0.357 4.477 4.120 0.001 0.000 0.298 43 V C 0.494 176.567 176.094 -0.035 0.000 1.028 43 V CA -0.383 61.908 62.300 -0.016 0.000 0.860 43 V CB 1.582 33.398 31.823 -0.012 0.000 0.991 43 V HN 0.582 nan 8.190 nan 0.000 0.427 47 C N 1.538 120.573 119.300 -0.442 0.000 2.411 47 C HA -0.093 4.368 4.460 0.001 0.000 0.279 47 C C 2.209 177.091 174.990 -0.181 0.000 1.288 47 C CA 0.793 59.660 59.018 -0.251 0.000 1.764 47 C CB -1.865 25.592 27.740 -0.472 0.000 1.974 47 C HN 0.880 nan 8.230 nan 0.000 0.498 48 W N 1.778 122.919 121.300 -0.265 0.000 2.611 48 W HA 0.087 4.747 4.660 0.001 0.000 0.251 48 W C 2.103 178.509 176.519 -0.187 0.000 1.265 48 W CA 0.755 57.985 57.345 -0.192 0.000 1.295 48 W CB -0.934 28.445 29.460 -0.134 0.000 1.129 48 W HN 0.339 nan 8.180 nan 0.000 0.630 49 Q N 1.753 121.226 119.800 -0.546 0.000 2.297 49 Q HA 0.061 4.402 4.340 0.001 0.000 0.204 49 Q C 2.199 177.958 176.000 -0.401 0.000 0.962 49 Q CA 2.155 57.665 55.803 -0.489 0.000 0.879 49 Q CB -0.778 27.123 28.738 -1.395 0.000 0.947 49 Q HN 0.352 nan 8.270 nan 0.000 0.462 50 G N 0.320 108.949 108.800 -0.285 0.000 2.448 50 G HA2 -0.157 3.803 3.960 0.001 0.000 0.218 50 G HA3 -0.157 3.803 3.960 0.001 0.000 0.218 50 G C 0.549 175.548 174.900 0.164 0.000 1.135 50 G CA 0.891 45.961 45.100 -0.050 0.000 0.784 50 G HN 0.595 nan 8.290 nan 0.000 0.543 51 D N -0.816 119.724 120.400 0.233 0.000 2.673 51 D HA 0.099 4.740 4.640 0.001 0.000 0.278 51 D C -0.344 176.085 176.300 0.214 0.000 1.393 51 D CA -0.363 53.796 54.000 0.266 0.000 0.805 51 D CB -0.419 40.600 40.800 0.366 0.000 1.110 51 D HN 0.018 nan 8.370 nan 0.000 0.476 52 D N 0.679 121.203 120.400 0.208 0.000 2.708 52 D HA -0.174 4.467 4.640 0.001 0.000 0.236 52 D C 0.815 177.032 176.300 -0.138 0.000 1.146 52 D CA 0.976 55.029 54.000 0.089 0.000 0.662 52 D CB -1.671 39.322 40.800 0.322 0.000 1.059 52 D HN 0.338 nan 8.370 nan 0.000 0.428 53 V N -2.273 117.601 119.914 -0.066 0.000 4.112 53 V HA -0.377 3.743 4.120 0.001 0.000 0.233 53 V C 2.047 178.162 176.094 0.036 0.000 0.458 53 V CA 1.613 63.924 62.300 0.019 0.000 0.909 53 V CB -2.343 29.314 31.823 -0.275 0.000 0.963 53 V HN 0.417 nan 8.190 nan 0.000 1.260 54 S N -0.429 115.297 115.700 0.044 0.000 2.345 54 S HA 0.345 4.815 4.470 0.001 0.000 0.219 54 S C 1.460 175.926 174.600 -0.223 0.000 1.031 54 S CA 1.654 59.838 58.200 -0.027 0.000 0.984 54 S CB 0.026 63.258 63.200 0.052 0.000 0.874 54 S HN 2.313 nan 8.310 nan 0.000 0.451 55 G N 0.676 109.122 108.800 -0.589 0.000 2.760 55 G HA2 -0.168 3.793 3.960 0.001 0.000 0.246 55 G HA3 -0.168 3.793 3.960 0.001 0.000 0.246 55 G C -0.381 174.129 174.900 -0.650 0.000 1.359 55 G CA -0.213 44.134 45.100 -1.254 0.000 0.861 55 G HN 0.321 nan 8.290 nan 0.000 0.541 56 F N 1.200 121.022 119.950 -0.215 0.000 2.764 56 F HA 0.372 4.900 4.527 0.001 0.000 0.310 56 F C 1.249 177.018 175.800 -0.052 0.000 1.124 56 F CA -0.687 57.270 58.000 -0.071 0.000 1.252 56 F CB 0.108 39.107 39.000 -0.002 0.000 1.010 56 F HN 0.521 nan 8.300 nan 0.000 0.518 74 P HA 0.511 nan 4.420 nan 0.000 0.274 74 P C 0.400 177.710 177.300 0.016 0.000 1.256 74 P CA 0.856 63.877 63.100 -0.133 0.000 0.795 74 P CB 0.952 32.514 31.700 -0.230 0.000 1.038 75 G N -0.508 108.322 108.800 0.050 0.000 2.157 75 G HA2 -0.207 3.753 3.960 0.001 0.000 0.239 75 G HA3 -0.207 3.753 3.960 0.001 0.000 0.239 75 G C 0.149 175.136 174.900 0.145 0.000 0.982 75 G CA 0.301 45.462 45.100 0.101 0.000 0.650 75 G HN 0.948 nan 8.290 nan 0.000 0.527 76 K N 0.509 120.998 120.400 0.148 0.000 2.440 76 K HA 0.622 4.943 4.320 0.001 0.000 0.270 76 K C 0.722 177.426 176.600 0.174 0.000 0.980 76 K CA 0.140 56.529 56.287 0.169 0.000 0.953 76 K CB 0.792 33.396 32.500 0.173 0.000 0.925 76 K HN 1.050 nan 8.250 nan 0.000 0.497 77 A N 2.715 125.665 122.820 0.217 0.000 2.407 77 A HA 0.152 4.472 4.320 0.001 0.000 0.248 77 A C 0.367 178.094 177.584 0.238 0.000 1.082 77 A CA -0.465 51.712 52.037 0.234 0.000 0.785 77 A CB 0.311 19.494 19.000 0.305 0.000 1.020 77 A HN 0.946 nan 8.150 nan 0.000 0.489 78 R N 0.280 120.893 120.500 0.188 0.000 2.373 78 R HA 0.150 4.490 4.340 0.001 0.000 0.221 78 R C 0.078 176.465 176.300 0.146 0.000 0.893 78 R CA 0.667 56.865 56.100 0.164 0.000 1.049 78 R CB 0.204 30.560 30.300 0.093 0.000 1.119 78 R HN 0.967 nan 8.270 nan 0.000 0.535 79 N N -2.158 116.583 118.700 0.069 0.000 3.106 79 N HA 0.197 4.938 4.740 0.001 0.000 0.253 79 N C 0.116 175.345 175.510 -0.469 0.000 1.506 79 N CA -0.308 52.560 53.050 -0.304 0.000 0.876 79 N CB 1.017 39.336 38.487 -0.280 0.000 1.452 79 N HN -0.164 nan 8.380 nan 0.000 0.542 80 A N 0.743 122.937 122.820 -1.044 0.000 1.940 80 A HA -0.130 4.191 4.320 0.001 0.000 0.219 80 A C 2.137 179.488 177.584 -0.389 0.000 1.176 80 A CA 2.215 53.862 52.037 -0.650 0.000 0.631 80 A CB -0.926 17.611 19.000 -0.771 0.000 0.814 80 A HN 0.627 nan 8.150 nan 0.000 0.446 81 S N -0.647 114.859 115.700 -0.324 0.000 2.356 81 S HA -0.152 4.318 4.470 0.001 0.000 0.223 81 S C 1.911 176.453 174.600 -0.097 0.000 1.032 81 S CA 1.468 59.535 58.200 -0.220 0.000 1.005 81 S CB -0.276 62.829 63.200 -0.157 0.000 0.867 81 S HN 0.709 nan 8.310 nan 0.000 0.449 82 E N 0.449 120.630 120.200 -0.031 0.000 2.077 82 E HA -0.139 4.211 4.350 0.001 0.000 0.193 82 E C 2.097 178.794 176.600 0.162 0.000 0.989 82 E CA 0.888 57.337 56.400 0.082 0.000 0.800 82 E CB -0.229 29.530 29.700 0.098 0.000 0.746 82 E HN 0.235 nan 8.360 nan 0.000 0.452 83 L N 1.425 122.762 121.223 0.190 0.000 2.046 83 L HA -0.179 4.162 4.340 0.001 0.000 0.208 83 L C 2.156 179.137 176.870 0.185 0.000 1.077 83 L CA 1.715 56.748 54.840 0.322 0.000 0.747 83 L CB -0.190 42.212 42.059 0.572 0.000 0.896 83 L HN -0.057 nan 8.230 nan 0.000 0.432 84 R N -0.913 119.546 120.500 -0.068 0.000 2.092 84 R HA -0.063 4.278 4.340 0.001 0.000 0.231 84 R C 2.216 178.526 176.300 0.016 0.000 1.119 84 R CA 1.121 57.040 56.100 -0.300 0.000 0.970 84 R CB -0.534 29.250 30.300 -0.859 0.000 0.864 84 R HN 0.513 nan 8.270 nan 0.000 0.440 85 A N 1.477 124.344 122.820 0.079 0.000 1.902 85 A HA -0.184 4.136 4.320 0.001 0.000 0.217 85 A C 1.496 179.196 177.584 0.194 0.000 1.181 85 A CA 1.724 53.869 52.037 0.180 0.000 0.623 85 A CB -0.316 18.827 19.000 0.238 0.000 0.818 85 A HN 0.149 nan 8.150 nan 0.000 0.443 86 D N 0.087 120.645 120.400 0.264 0.000 2.097 86 D HA -0.104 4.536 4.640 0.001 0.000 0.195 86 D C 1.943 178.359 176.300 0.194 0.000 0.989 86 D CA 1.001 55.180 54.000 0.298 0.000 0.827 86 D CB -0.395 40.685 40.800 0.467 0.000 0.966 86 D HN 0.432 nan 8.370 nan 0.000 0.456 87 L N 0.816 122.112 121.223 0.121 0.000 2.042 87 L HA -0.180 4.161 4.340 0.001 0.000 0.210 87 L C 2.328 179.200 176.870 0.004 0.000 1.076 87 L CA 1.266 56.040 54.840 -0.111 0.000 0.749 87 L CB -0.359 41.693 42.059 -0.012 0.000 0.893 87 L HN 0.033 nan 8.230 nan 0.000 0.432 88 E N -0.649 119.637 120.200 0.143 0.000 2.118 88 E HA -0.245 4.106 4.350 0.001 0.000 0.195 88 E C 2.299 178.879 176.600 -0.034 0.000 0.992 88 E CA 0.881 57.336 56.400 0.091 0.000 0.804 88 E CB -0.024 29.774 29.700 0.165 0.000 0.741 88 E HN 0.453 nan 8.360 nan 0.000 0.458 89 Q N 0.287 120.017 119.800 -0.117 0.000 2.084 89 Q HA -0.042 4.299 4.340 0.001 0.000 0.202 89 Q C 1.142 177.081 176.000 -0.102 0.000 0.978 89 Q CA 0.917 56.586 55.803 -0.223 0.000 0.844 89 Q CB -0.387 27.986 28.738 -0.608 0.000 0.898 89 Q HN 0.178 nan 8.270 nan 0.000 0.426 93 L N 1.413 122.600 121.223 -0.061 0.000 2.693 93 L HA 0.516 4.857 4.340 0.001 0.000 0.235 93 L C 0.181 176.973 176.870 -0.130 0.000 1.127 93 L CA -0.001 54.799 54.840 -0.067 0.000 0.914 93 L CB 0.575 42.588 42.059 -0.077 0.000 1.193 93 L HN 0.085 nan 8.230 nan 0.000 0.502 94 I N 2.359 122.861 120.570 -0.113 0.000 2.355 94 I HA 0.290 4.461 4.170 0.001 0.000 0.288 94 I C -2.225 173.833 176.117 -0.098 0.000 0.999 94 I CA -1.889 59.359 61.300 -0.086 0.000 1.163 94 I CB 1.927 39.877 38.000 -0.084 0.000 1.316 94 I HN -0.199 nan 8.210 nan 0.000 0.454 95 P HA 0.326 nan 4.420 nan 0.000 0.279 95 P C 0.282 177.339 177.300 -0.404 0.000 1.239 95 P CA 0.475 63.410 63.100 -0.276 0.000 0.789 95 P CB 1.307 32.801 31.700 -0.344 0.000 0.933 96 G N 3.231 111.465 108.800 -0.943 0.000 2.681 96 G HA2 -0.127 3.833 3.960 0.001 0.000 0.220 96 G HA3 -0.127 3.833 3.960 0.001 0.000 0.220 96 G C -2.853 171.885 174.900 -0.270 0.000 1.353 96 G CA -0.759 43.832 45.100 -0.848 0.000 0.872 96 G HN 0.603 nan 8.290 nan 0.000 0.557 97 P HA 0.301 nan 4.420 nan 0.000 0.268 97 P C -0.454 176.809 177.300 -0.061 0.000 1.204 97 P CA 0.459 63.521 63.100 -0.063 0.000 0.768 97 P CB 0.894 32.590 31.700 -0.006 0.000 0.842 98 K N 2.554 122.905 120.400 -0.081 0.000 2.466 98 K HA 0.701 5.022 4.320 0.001 0.000 0.260 98 K C -0.233 176.314 176.600 -0.087 0.000 1.011 98 K CA -1.058 55.176 56.287 -0.087 0.000 0.871 98 K CB 2.415 34.841 32.500 -0.123 0.000 1.404 98 K HN 0.368 nan 8.250 nan 0.000 0.450 99 R N -0.273 120.176 120.500 -0.085 0.000 2.855 99 R HA 0.547 4.888 4.340 0.001 0.000 0.266 99 R C -1.422 174.821 176.300 -0.095 0.000 1.034 99 R CA -1.108 54.947 56.100 -0.074 0.000 0.944 99 R CB 1.386 31.668 30.300 -0.030 0.000 1.219 99 R HN 0.439 nan 8.270 nan 0.000 0.474 100 L N 1.097 122.274 121.223 -0.078 0.000 2.365 100 L HA 0.491 4.831 4.340 0.001 0.000 0.273 100 L C -1.285 175.533 176.870 -0.087 0.000 1.000 100 L CA -0.497 54.284 54.840 -0.098 0.000 0.819 100 L CB 1.780 43.827 42.059 -0.020 0.000 1.284 100 L HN 0.499 nan 8.230 nan 0.000 0.418 101 N N 4.616 123.259 118.700 -0.095 0.000 2.444 101 N HA 0.507 5.248 4.740 0.001 0.000 0.262 101 N C -1.534 173.992 175.510 0.026 0.000 0.974 101 N CA -0.177 52.878 53.050 0.008 0.000 0.933 101 N CB 0.648 39.151 38.487 0.026 0.000 1.137 101 N HN 0.649 nan 8.380 nan 0.000 0.498 102 L N 2.485 123.756 121.223 0.079 0.000 2.331 102 L HA 0.409 4.749 4.340 0.001 0.000 0.275 102 L C 0.331 177.255 176.870 0.090 0.000 1.022 102 L CA -0.886 53.992 54.840 0.063 0.000 0.812 102 L CB 1.482 43.613 42.059 0.120 0.000 1.257 102 L HN 0.443 nan 8.230 nan 0.000 0.435 103 H N 0.603 119.766 119.070 0.154 0.000 2.502 103 H HA 0.267 4.824 4.556 0.001 0.000 0.338 103 H C 0.430 175.916 175.328 0.264 0.000 1.155 103 H CA 0.050 56.166 56.048 0.114 0.000 1.237 103 H CB 2.332 32.268 29.762 0.291 0.000 1.534 103 H HN 0.792 nan 8.280 nan 0.000 0.523 104 A N 3.938 126.815 122.820 0.096 0.000 1.978 104 A HA -0.158 4.163 4.320 0.001 0.000 0.220 104 A C 2.202 180.130 177.584 0.573 0.000 1.170 104 A CA 1.566 53.882 52.037 0.465 0.000 0.636 104 A CB -0.883 18.375 19.000 0.429 0.000 0.810 104 A HN 0.781 nan 8.150 nan 0.000 0.448 105 I N -4.731 116.035 120.570 0.328 0.000 3.241 105 I HA -0.090 4.081 4.170 0.001 0.000 0.280 105 I C 1.158 177.164 176.117 -0.186 0.000 1.320 105 I CA 0.981 62.298 61.300 0.028 0.000 1.413 105 I CB -0.438 37.454 38.000 -0.180 0.000 1.060 105 I HN 0.252 nan 8.210 nan 0.000 0.500 106 Y N 2.455 122.890 120.300 0.225 0.000 2.470 106 Y HA 0.359 4.909 4.550 0.001 0.000 0.284 106 Y C 1.240 177.488 175.900 0.580 0.000 1.188 106 Y CA -0.935 57.266 58.100 0.169 0.000 1.269 106 Y CB -0.371 38.192 38.460 0.172 0.000 1.094 106 Y HN 0.258 nan 8.280 nan 0.000 0.518 107 L N -0.590 120.840 121.223 0.346 0.000 2.482 107 L HA 0.252 4.593 4.340 0.001 0.000 0.273 107 L C -0.254 176.698 176.870 0.136 0.000 1.228 107 L CA -0.044 54.653 54.840 -0.239 0.000 0.827 107 L CB 0.762 42.649 42.059 -0.286 0.000 1.099 107 L HN 0.084 nan 8.230 nan 0.000 0.494 108 E N 2.179 122.387 120.200 0.013 0.000 2.186 108 E HA 0.382 4.732 4.350 0.001 0.000 0.255 108 E C -1.210 175.402 176.600 0.020 0.000 0.881 108 E CA -0.365 56.059 56.400 0.041 0.000 0.752 108 E CB 1.806 31.485 29.700 -0.034 0.000 1.176 108 E HN 0.693 nan 8.360 nan 0.000 0.421 109 S N 1.961 117.668 115.700 0.011 0.000 2.570 109 S HA 0.201 4.672 4.470 0.001 0.000 0.286 109 S C 0.081 174.684 174.600 0.005 0.000 1.099 109 S CA -0.635 57.583 58.200 0.030 0.000 0.913 109 S CB 1.411 64.575 63.200 -0.061 0.000 1.085 109 S HN 0.403 nan 8.310 nan 0.000 0.480 110 D N 1.551 121.959 120.400 0.014 0.000 2.234 110 D HA 0.078 4.719 4.640 0.001 0.000 0.205 110 D C 0.860 177.157 176.300 -0.005 0.000 0.962 110 D CA 1.119 55.118 54.000 -0.002 0.000 0.855 110 D CB 0.123 40.923 40.800 0.001 0.000 0.951 110 D HN 0.720 nan 8.370 nan 0.000 0.500 111 T N -1.167 113.386 114.554 -0.002 0.000 2.940 111 T HA 0.591 4.942 4.350 0.001 0.000 0.288 111 T C -2.768 171.913 174.700 -0.031 0.000 1.033 111 T CA -2.034 60.061 62.100 -0.010 0.000 1.033 111 T CB 1.967 70.836 68.868 0.002 0.000 1.079 111 T HN -0.283 nan 8.240 nan 0.000 0.496 112 P HA 0.435 nan 4.420 nan 0.000 0.275 112 P C -1.092 176.175 177.300 -0.056 0.000 1.227 112 P CA -0.531 62.546 63.100 -0.039 0.000 0.781 112 P CB 0.597 32.282 31.700 -0.025 0.000 0.906 113 V N 1.961 121.826 119.914 -0.083 0.000 2.487 113 V HA 0.298 4.419 4.120 0.001 0.000 0.298 113 V C 0.448 176.524 176.094 -0.030 0.000 1.028 113 V CA -0.674 61.563 62.300 -0.105 0.000 0.860 113 V CB 1.620 33.262 31.823 -0.302 0.000 0.991 113 V HN 0.612 nan 8.190 nan 0.000 0.427 114 S N 4.528 120.235 115.700 0.012 0.000 2.562 114 S HA 0.177 4.647 4.470 0.001 0.000 0.281 114 S C 1.404 176.021 174.600 0.029 0.000 1.333 114 S CA -0.184 58.061 58.200 0.076 0.000 1.052 114 S CB 0.517 63.784 63.200 0.111 0.000 0.884 114 S HN 0.701 nan 8.310 nan 0.000 0.506 115 R N 1.645 122.147 120.500 0.003 0.000 2.139 115 R HA -0.120 4.221 4.340 0.001 0.000 0.243 115 R C 1.302 177.433 176.300 -0.282 0.000 1.145 115 R CA 1.787 57.712 56.100 -0.293 0.000 0.976 115 R CB -0.475 29.378 30.300 -0.745 0.000 0.866 115 R HN 0.834 nan 8.270 nan 0.000 0.449 116 D N 0.219 120.327 120.400 -0.488 0.000 2.363 116 D HA -0.115 4.526 4.640 0.001 0.000 0.226 116 D C 0.645 176.883 176.300 -0.104 0.000 1.020 116 D CA 0.634 54.399 54.000 -0.392 0.000 0.892 116 D CB 0.073 40.527 40.800 -0.577 0.000 0.900 116 D HN 0.256 nan 8.370 nan 0.000 0.531 117 Q N 0.845 120.635 119.800 -0.016 0.000 2.115 117 Q HA 0.243 4.584 4.340 0.001 0.000 0.249 117 Q C 0.858 176.947 176.000 0.148 0.000 0.830 117 Q CA -0.388 55.448 55.803 0.054 0.000 1.104 117 Q CB 0.512 29.282 28.738 0.053 0.000 1.207 117 Q HN 0.488 nan 8.270 nan 0.000 0.464 118 I N -1.490 119.205 120.570 0.207 0.000 2.882 118 I HA 0.340 4.510 4.170 0.001 0.000 0.286 118 I C -0.246 176.097 176.117 0.377 0.000 1.139 118 I CA -0.375 61.167 61.300 0.404 0.000 1.379 118 I CB 0.646 38.947 38.000 0.502 0.000 1.410 118 I HN -0.192 nan 8.210 nan 0.000 0.594 119 K N 3.657 124.358 120.400 0.501 0.000 2.480 119 K HA 0.446 4.767 4.320 0.001 0.000 0.258 119 K C -2.161 174.442 176.600 0.005 0.000 0.990 119 K CA -1.433 54.885 56.287 0.051 0.000 0.857 119 K CB 2.026 34.399 32.500 -0.212 0.000 1.384 119 K HN 0.209 nan 8.250 nan 0.000 0.446 120 P HA -0.269 nan 4.420 nan 0.000 0.216 120 P C 0.768 177.902 177.300 -0.276 0.000 1.150 120 P CA 1.383 64.230 63.100 -0.421 0.000 0.843 120 P CB 0.166 31.207 31.700 -1.097 0.000 0.787 121 E N -0.898 119.092 120.200 -0.350 0.000 2.267 121 E HA -0.241 4.110 4.350 0.001 0.000 0.197 121 E C 1.092 177.613 176.600 -0.132 0.000 0.998 121 E CA 1.093 57.349 56.400 -0.240 0.000 0.830 121 E CB -0.928 28.607 29.700 -0.275 0.000 0.751 121 E HN 0.432 nan 8.360 nan 0.000 0.491 122 H N -0.831 118.306 119.070 0.112 0.000 2.556 122 H HA 0.046 4.603 4.556 0.001 0.000 0.268 122 H C 0.248 175.412 175.328 -0.273 0.000 0.996 122 H CA 0.593 56.612 56.048 -0.048 0.000 1.157 122 H CB -0.167 29.532 29.762 -0.104 0.000 1.355 122 H HN 0.313 nan 8.280 nan 0.000 0.597 123 F N -0.008 120.181 119.950 0.398 0.000 2.735 123 F HA 0.227 4.755 4.527 0.001 0.000 0.308 123 F C 1.617 177.753 175.800 0.560 0.000 1.112 123 F CA -0.476 57.886 58.000 0.603 0.000 1.235 123 F CB 0.652 40.073 39.000 0.702 0.000 1.027 123 F HN -0.168 nan 8.300 nan 0.000 0.528 124 K N 0.729 121.408 120.400 0.464 0.000 2.063 124 K HA -0.154 4.167 4.320 0.001 0.000 0.208 124 K C 1.222 177.990 176.600 0.279 0.000 1.048 124 K CA 1.469 57.986 56.287 0.383 0.000 0.928 124 K CB -0.491 32.150 32.500 0.234 0.000 0.713 124 K HN 0.472 nan 8.250 nan 0.000 0.442 125 N N -0.232 118.570 118.700 0.171 0.000 2.120 125 N HA -0.155 4.586 4.740 0.001 0.000 0.188 125 N C 1.850 177.421 175.510 0.101 0.000 1.024 125 N CA 0.979 54.050 53.050 0.035 0.000 0.852 125 N CB -0.134 38.246 38.487 -0.177 0.000 1.003 125 N HN 0.290 nan 8.380 nan 0.000 0.424 126 W N 0.981 122.406 121.300 0.208 0.000 2.355 126 W HA -0.138 4.523 4.660 0.001 0.000 0.309 126 W C 2.262 178.893 176.519 0.187 0.000 1.206 126 W CA 0.284 57.759 57.345 0.217 0.000 1.284 126 W CB -0.578 29.039 29.460 0.262 0.000 1.145 126 W HN -0.149 nan 8.180 nan 0.000 0.502 127 V N 1.325 121.470 119.914 0.385 0.000 2.287 127 V HA -0.344 3.777 4.120 0.001 0.000 0.248 127 V C 2.028 178.213 176.094 0.151 0.000 1.053 127 V CA 2.501 64.894 62.300 0.154 0.000 1.027 127 V CB -1.115 30.768 31.823 0.100 0.000 0.646 127 V HN 0.320 nan 8.190 nan 0.000 0.447 128 E N -0.700 119.610 120.200 0.184 0.000 2.118 128 E HA -0.323 4.028 4.350 0.001 0.000 0.195 128 E C 2.028 178.734 176.600 0.177 0.000 0.992 128 E CA 1.907 58.392 56.400 0.142 0.000 0.804 128 E CB -0.533 29.238 29.700 0.120 0.000 0.741 128 E HN 0.766 nan 8.360 nan 0.000 0.458 129 W N 1.912 123.228 121.300 0.028 0.000 2.418 129 W HA 0.067 4.728 4.660 0.001 0.000 0.292 129 W C 2.416 178.952 176.519 0.028 0.000 1.213 129 W CA 1.650 59.007 57.345 0.021 0.000 1.283 129 W CB -0.144 29.325 29.460 0.016 0.000 1.119 129 W HN 0.104 nan 8.180 nan 0.000 0.542 130 A N 0.574 123.484 122.820 0.150 0.000 1.902 130 A HA -0.194 4.127 4.320 0.001 0.000 0.217 130 A C 1.943 179.416 177.584 -0.185 0.000 1.181 130 A CA 1.963 53.926 52.037 -0.124 0.000 0.623 130 A CB -0.760 18.240 19.000 -0.000 0.000 0.818 130 A HN 0.338 nan 8.150 nan 0.000 0.443 131 K N -0.485 119.863 120.400 -0.087 0.000 2.032 131 K HA -0.086 4.235 4.320 0.001 0.000 0.209 131 K C 2.124 178.653 176.600 -0.118 0.000 1.048 131 K CA 1.278 57.514 56.287 -0.084 0.000 0.927 131 K CB -0.286 32.193 32.500 -0.034 0.000 0.712 131 K HN 0.433 nan 8.250 nan 0.000 0.441 132 A N 0.760 123.502 122.820 -0.131 0.000 2.119 132 A HA -0.062 4.259 4.320 0.001 0.000 0.217 132 A C 1.274 178.713 177.584 -0.243 0.000 1.153 132 A CA 1.126 53.074 52.037 -0.148 0.000 0.692 132 A CB -0.082 18.854 19.000 -0.107 0.000 0.799 132 A HN 0.268 nan 8.150 nan 0.000 0.458 133 N N 0.015 118.485 118.700 -0.385 0.000 2.234 133 N HA 0.032 4.773 4.740 0.001 0.000 0.227 133 N C -0.613 174.706 175.510 -0.319 0.000 1.151 133 N CA 0.062 52.847 53.050 -0.442 0.000 0.865 133 N CB 0.461 38.437 38.487 -0.851 0.000 1.066 133 N HN 0.300 nan 8.380 nan 0.000 0.515 134 Q N 0.006 119.669 119.800 -0.229 0.000 2.475 134 Q HA -0.180 4.161 4.340 0.001 0.000 0.280 134 Q C -0.530 175.372 176.000 -0.162 0.000 1.234 134 Q CA 0.895 56.602 55.803 -0.160 0.000 0.873 134 Q CB -2.152 26.514 28.738 -0.119 0.000 1.256 134 Q HN 0.488 nan 8.270 nan 0.000 0.475 135 L N -0.516 120.588 121.223 -0.199 0.000 2.334 135 L HA 0.767 5.108 4.340 0.001 0.000 0.276 135 L C 1.115 177.915 176.870 -0.117 0.000 1.014 135 L CA -0.648 54.089 54.840 -0.171 0.000 0.815 135 L CB 1.772 43.691 42.059 -0.233 0.000 1.268 135 L HN 0.152 nan 8.230 nan 0.000 0.428 136 G N 2.252 111.004 108.800 -0.079 0.000 2.451 136 G HA2 0.678 4.638 3.960 0.001 0.000 0.303 136 G HA3 0.678 4.638 3.960 0.001 0.000 0.303 136 G C -0.837 174.021 174.900 -0.069 0.000 1.166 136 G CA -0.520 44.549 45.100 -0.051 0.000 0.884 136 G HN 0.377 nan 8.290 nan 0.000 0.514 137 L N 0.639 121.813 121.223 -0.082 0.000 2.354 137 L HA 0.502 4.843 4.340 0.001 0.000 0.269 137 L C -0.849 176.065 176.870 0.073 0.000 1.005 137 L CA -0.999 53.762 54.840 -0.131 0.000 0.819 137 L CB 2.417 44.111 42.059 -0.608 0.000 1.311 137 L HN 0.401 nan 8.230 nan 0.000 0.423 138 D N 0.634 121.114 120.400 0.133 0.000 2.423 138 D HA 0.598 5.239 4.640 0.001 0.000 0.235 138 D C -1.304 175.233 176.300 0.395 0.000 1.011 138 D CA -0.167 53.968 54.000 0.225 0.000 0.963 138 D CB 3.218 44.090 40.800 0.119 0.000 1.349 138 D HN 0.078 nan 8.370 nan 0.000 0.508 139 F N 0.276 120.291 119.950 0.109 0.000 2.664 139 F HA 0.452 4.980 4.527 0.001 0.000 0.317 139 F C -1.465 174.285 175.800 -0.084 0.000 1.108 139 F CA -0.677 57.345 58.000 0.037 0.000 0.957 139 F CB 1.883 40.863 39.000 -0.032 0.000 1.365 139 F HN 0.214 nan 8.300 nan 0.000 0.475 140 N N 2.082 120.241 118.700 -0.901 0.000 2.452 140 N HA 0.377 5.118 4.740 0.001 0.000 0.277 140 N C -3.080 171.871 175.510 -0.931 0.000 1.078 140 N CA -1.268 51.304 53.050 -0.795 0.000 0.947 140 N CB 2.593 40.431 38.487 -1.082 0.000 1.655 140 N HN 0.102 nan 8.380 nan 0.000 0.490 141 P HA 0.137 nan 4.420 nan 0.000 0.272 141 P C -0.798 176.584 177.300 0.136 0.000 1.223 141 P CA -0.224 62.693 63.100 -0.306 0.000 0.784 141 P CB 0.620 32.127 31.700 -0.321 0.000 0.923 142 S N 1.480 117.467 115.700 0.480 0.000 2.474 142 S HA 0.213 4.684 4.470 0.001 0.000 0.320 142 S C 0.160 174.700 174.600 -0.101 0.000 1.067 142 S CA -0.428 57.871 58.200 0.165 0.000 1.127 142 S CB -0.385 62.735 63.200 -0.134 0.000 0.971 142 S HN 0.403 nan 8.310 nan 0.000 0.472 143 C N 4.443 123.679 119.300 -0.106 0.000 2.339 143 C HA 0.554 5.014 4.460 0.001 0.000 0.361 143 C C -0.058 174.650 174.990 -0.469 0.000 1.378 143 C CA -0.778 57.930 59.018 -0.516 0.000 1.763 143 C CB -2.480 24.970 27.740 -0.483 0.000 2.632 143 C HN 0.836 nan 8.230 nan 0.000 0.576 144 F N -4.036 115.779 119.950 -0.225 0.000 2.877 144 F HA 0.613 5.141 4.527 0.001 0.000 0.319 144 F C 0.352 176.170 175.800 0.031 0.000 1.174 144 F CA -1.140 56.783 58.000 -0.129 0.000 0.903 144 F CB -0.088 38.875 39.000 -0.062 0.000 1.357 144 F HN -0.187 nan 8.300 nan 0.000 0.472 145 S N 1.027 116.863 115.700 0.227 0.000 3.550 145 S HA -0.199 4.272 4.470 0.001 0.000 0.372 145 S C -0.678 174.010 174.600 0.146 0.000 0.966 145 S CA 1.257 59.562 58.200 0.176 0.000 1.229 145 S CB -2.114 61.234 63.200 0.247 0.000 0.917 145 S HN 1.138 nan 8.310 nan 0.000 0.496 146 H N -1.021 118.085 119.070 0.060 0.000 3.012 146 H HA 0.300 4.857 4.556 0.001 0.000 0.367 146 H C -2.640 172.742 175.328 0.091 0.000 1.211 146 H CA -1.580 54.524 56.048 0.093 0.000 1.139 146 H CB 1.896 31.810 29.762 0.254 0.000 1.838 146 H HN -0.095 nan 8.280 nan 0.000 0.550 147 P HA -0.075 nan 4.420 nan 0.000 0.217 147 P C 1.401 178.763 177.300 0.104 0.000 1.148 147 P CA 1.068 64.115 63.100 -0.088 0.000 0.828 147 P CB 0.296 31.846 31.700 -0.250 0.000 0.783 148 L N -1.016 120.427 121.223 0.366 0.000 2.599 148 L HA 0.058 4.398 4.340 0.001 0.000 0.230 148 L C 1.499 178.735 176.870 0.609 0.000 1.141 148 L CA 0.886 55.930 54.840 0.339 0.000 0.877 148 L CB -0.631 41.355 42.059 -0.122 0.000 1.009 148 L HN 0.095 nan 8.230 nan 0.000 0.447 149 S N -1.963 114.033 115.700 0.494 0.000 2.629 149 S HA 0.249 4.720 4.470 0.001 0.000 0.236 149 S C 1.713 176.400 174.600 0.146 0.000 1.010 149 S CA 0.181 58.518 58.200 0.227 0.000 0.981 149 S CB 0.647 63.834 63.200 -0.021 0.000 0.919 149 S HN 0.195 nan 8.310 nan 0.000 0.514 150 A N 2.294 125.216 122.820 0.170 0.000 1.972 150 A HA -0.060 4.261 4.320 0.001 0.000 0.219 150 A C 1.688 179.341 177.584 0.115 0.000 1.169 150 A CA 1.585 53.691 52.037 0.114 0.000 0.635 150 A CB -0.591 18.463 19.000 0.090 0.000 0.810 150 A HN 0.474 nan 8.150 nan 0.000 0.446 151 D N -1.156 119.359 120.400 0.192 0.000 2.371 151 D HA 0.196 4.837 4.640 0.001 0.000 0.221 151 D C 1.426 177.822 176.300 0.161 0.000 0.986 151 D CA 1.199 55.337 54.000 0.229 0.000 0.899 151 D CB -0.095 40.944 40.800 0.399 0.000 0.902 151 D HN 0.623 nan 8.370 nan 0.000 0.530 152 G N -0.255 108.549 108.800 0.007 0.000 2.141 152 G HA2 -0.256 3.705 3.960 0.001 0.000 0.242 152 G HA3 -0.256 3.705 3.960 0.001 0.000 0.242 152 G C 0.041 174.486 174.900 -0.757 0.000 0.982 152 G CA -0.227 44.675 45.100 -0.330 0.000 0.662 152 G HN 0.284 nan 8.290 nan 0.000 0.527 153 F N -0.252 119.674 119.950 -0.040 0.000 2.576 153 F HA 0.714 5.242 4.527 0.001 0.000 0.313 153 F C 0.959 176.763 175.800 0.007 0.000 1.078 153 F CA 0.079 58.039 58.000 -0.067 0.000 0.921 153 F CB 2.245 41.153 39.000 -0.153 0.000 1.232 153 F HN 0.243 nan 8.300 nan 0.000 0.459 154 T N -2.183 112.380 114.554 0.014 0.000 3.236 154 T HA 0.220 4.571 4.350 0.001 0.000 0.146 154 T C 1.293 176.027 174.700 0.056 0.000 0.898 154 T CA -0.216 61.706 62.100 -0.296 0.000 0.882 154 T CB -0.409 67.811 68.868 -1.079 0.000 1.609 154 T HN 0.417 nan 8.240 nan 0.000 0.316 155 L N 2.582 123.775 121.223 -0.050 0.000 2.265 155 L HA 0.055 4.396 4.340 0.001 0.000 0.215 155 L C 2.442 179.362 176.870 0.083 0.000 1.117 155 L CA 1.604 56.490 54.840 0.077 0.000 0.782 155 L CB -0.444 41.617 42.059 0.004 0.000 0.914 155 L HN 0.676 nan 8.230 nan 0.000 0.441 156 S N -3.073 112.670 115.700 0.071 0.000 2.572 156 S HA 0.025 4.496 4.470 0.001 0.000 0.228 156 S C 0.731 175.386 174.600 0.091 0.000 0.963 156 S CA -0.565 57.675 58.200 0.067 0.000 0.939 156 S CB -0.365 62.853 63.200 0.030 0.000 0.804 156 S HN 0.291 nan 8.310 nan 0.000 0.480 157 H N 1.700 120.835 119.070 0.109 0.000 3.001 157 H HA 0.294 4.851 4.556 0.001 0.000 0.334 157 H C 1.444 176.775 175.328 0.005 0.000 1.034 157 H CA 0.903 56.999 56.048 0.081 0.000 1.420 157 H CB 1.293 31.168 29.762 0.188 0.000 1.405 157 H HN 0.342 nan 8.280 nan 0.000 0.593 158 A N 4.276 127.069 122.820 -0.044 0.000 2.014 158 A HA -0.097 4.224 4.320 0.001 0.000 0.218 158 A C 1.091 178.780 177.584 0.175 0.000 1.163 158 A CA 0.783 52.831 52.037 0.017 0.000 0.652 158 A CB -0.085 18.849 19.000 -0.110 0.000 0.808 158 A HN 0.807 nan 8.150 nan 0.000 0.449 159 D N 0.087 120.746 120.400 0.432 0.000 2.343 159 D HA 0.041 4.682 4.640 0.001 0.000 0.255 159 D C -0.353 176.020 176.300 0.121 0.000 1.187 159 D CA -0.194 53.930 54.000 0.205 0.000 0.875 159 D CB 0.662 41.529 40.800 0.113 0.000 1.136 159 D HN 0.127 nan 8.370 nan 0.000 0.469 160 D N 2.069 122.515 120.400 0.077 0.000 2.149 160 D HA -0.183 4.458 4.640 0.001 0.000 0.198 160 D C 2.046 178.375 176.300 0.049 0.000 0.990 160 D CA 1.460 55.499 54.000 0.064 0.000 0.839 160 D CB -0.073 40.754 40.800 0.046 0.000 0.948 160 D HN 0.531 nan 8.370 nan 0.000 0.460 161 S N 0.092 115.803 115.700 0.018 0.000 2.387 161 S HA -0.060 4.411 4.470 0.001 0.000 0.226 161 S C 2.255 176.852 174.600 -0.006 0.000 1.026 161 S CA 0.343 58.544 58.200 0.002 0.000 0.972 161 S CB -0.526 62.658 63.200 -0.027 0.000 0.814 161 S HN 0.228 nan 8.310 nan 0.000 0.477 162 I N 1.682 122.218 120.570 -0.058 0.000 2.179 162 I HA -0.150 4.021 4.170 0.001 0.000 0.242 162 I C 3.084 179.294 176.117 0.155 0.000 1.088 162 I CA 1.479 62.731 61.300 -0.080 0.000 1.357 162 I CB -0.323 37.453 38.000 -0.372 0.000 1.051 162 I HN 0.279 nan 8.210 nan 0.000 0.409 163 R N 0.623 121.236 120.500 0.188 0.000 2.096 163 R HA -0.288 4.053 4.340 0.001 0.000 0.240 163 R C 2.379 178.807 176.300 0.214 0.000 1.139 163 R CA 1.979 58.239 56.100 0.267 0.000 0.952 163 R CB -0.215 30.205 30.300 0.200 0.000 0.854 163 R HN 0.209 nan 8.270 nan 0.000 0.436 164 Q N -0.344 119.533 119.800 0.129 0.000 2.124 164 Q HA -0.183 4.157 4.340 0.001 0.000 0.202 164 Q C 1.693 177.732 176.000 0.065 0.000 0.977 164 Q CA 1.887 57.743 55.803 0.088 0.000 0.850 164 Q CB -0.405 28.367 28.738 0.058 0.000 0.901 164 Q HN 0.447 nan 8.270 nan 0.000 0.429 165 F N -1.258 118.603 119.950 -0.149 0.000 2.102 165 F HA -0.172 4.355 4.527 0.001 0.000 0.298 165 F C 1.305 176.910 175.800 -0.325 0.000 1.105 165 F CA 1.670 59.478 58.000 -0.320 0.000 1.239 165 F CB -0.433 38.219 39.000 -0.580 0.000 0.991 165 F HN 0.169 nan 8.300 nan 0.000 0.474 166 W N 0.429 121.799 121.300 0.116 0.000 2.388 166 W HA -0.099 4.562 4.660 0.001 0.000 0.294 166 W C 2.388 178.888 176.519 -0.030 0.000 1.212 166 W CA 0.865 58.219 57.345 0.015 0.000 1.271 166 W CB -0.427 29.090 29.460 0.096 0.000 1.126 166 W HN 0.005 nan 8.180 nan 0.000 0.535 167 I N 0.303 120.984 120.570 0.185 0.000 2.179 167 I HA -0.315 3.856 4.170 0.001 0.000 0.242 167 I C 1.928 178.057 176.117 0.019 0.000 1.088 167 I CA 1.440 62.798 61.300 0.096 0.000 1.357 167 I CB -0.522 37.528 38.000 0.083 0.000 1.051 167 I HN -0.097 nan 8.210 nan 0.000 0.409 168 D N -0.463 119.911 120.400 -0.043 0.000 2.117 168 D HA -0.232 4.408 4.640 0.001 0.000 0.197 168 D C 1.972 178.207 176.300 -0.109 0.000 0.987 168 D CA 1.231 55.176 54.000 -0.092 0.000 0.829 168 D CB -0.524 40.198 40.800 -0.130 0.000 0.961 168 D HN 0.468 nan 8.370 nan 0.000 0.460 169 H N 0.077 118.958 119.070 -0.314 0.000 2.352 169 H HA -0.125 4.432 4.556 0.001 0.000 0.299 169 H C 1.846 177.137 175.328 -0.062 0.000 1.097 169 H CA 1.465 57.356 56.048 -0.262 0.000 1.311 169 H CB 0.036 29.588 29.762 -0.351 0.000 1.377 169 H HN 0.141 nan 8.280 nan 0.000 0.504 170 C N 1.140 120.347 119.300 -0.156 0.000 2.432 170 C HA -0.079 4.382 4.460 0.001 0.000 0.277 170 C C 2.768 177.689 174.990 -0.114 0.000 1.249 170 C CA 1.025 59.939 59.018 -0.173 0.000 1.725 170 C CB -0.720 26.992 27.740 -0.047 0.000 2.028 170 C HN 0.585 nan 8.230 nan 0.000 0.477 171 K N 1.314 121.675 120.400 -0.064 0.000 2.063 171 K HA -0.151 4.170 4.320 0.001 0.000 0.208 171 K C 2.244 178.800 176.600 -0.074 0.000 1.048 171 K CA 1.727 57.982 56.287 -0.053 0.000 0.928 171 K CB -0.352 32.128 32.500 -0.034 0.000 0.713 171 K HN 0.504 nan 8.250 nan 0.000 0.442 172 A N 0.941 123.720 122.820 -0.069 0.000 1.933 172 A HA -0.152 4.169 4.320 0.001 0.000 0.218 172 A C 2.204 179.753 177.584 -0.059 0.000 1.175 172 A CA 1.800 53.809 52.037 -0.046 0.000 0.628 172 A CB -0.543 18.463 19.000 0.010 0.000 0.814 172 A HN 0.181 nan 8.150 nan 0.000 0.444 173 S N -0.364 115.291 115.700 -0.075 0.000 2.383 173 S HA -0.188 4.283 4.470 0.001 0.000 0.229 173 S C 2.025 176.612 174.600 -0.022 0.000 1.030 173 S CA 1.481 59.701 58.200 0.034 0.000 1.002 173 S CB -0.331 62.813 63.200 -0.093 0.000 0.829 173 S HN 0.624 nan 8.310 nan 0.000 0.467 174 R N 0.800 121.242 120.500 -0.097 0.000 2.127 174 R HA -0.005 4.336 4.340 0.001 0.000 0.238 174 R C 2.489 178.556 176.300 -0.388 0.000 1.134 174 R CA 1.134 57.080 56.100 -0.256 0.000 0.975 174 R CB -0.225 29.917 30.300 -0.265 0.000 0.865 174 R HN 0.352 nan 8.270 nan 0.000 0.447 175 R N 0.060 120.407 120.500 -0.256 0.000 2.115 175 R HA -0.042 4.299 4.340 0.001 0.000 0.226 175 R C 2.272 178.411 176.300 -0.270 0.000 1.100 175 R CA 1.004 56.969 56.100 -0.224 0.000 0.980 175 R CB -0.202 30.009 30.300 -0.149 0.000 0.875 175 R HN 0.043 nan 8.270 nan 0.000 0.445 176 V N 0.172 119.851 119.914 -0.392 0.000 2.307 176 V HA -0.261 3.860 4.120 0.001 0.000 0.245 176 V C 2.356 177.844 176.094 -1.010 0.000 1.045 176 V CA 2.075 63.949 62.300 -0.710 0.000 1.024 176 V CB -0.538 30.577 31.823 -1.179 0.000 0.651 176 V HN 0.342 nan 8.190 nan 0.000 0.449 177 S N 0.147 115.338 115.700 -0.848 0.000 2.359 177 S HA -0.266 4.204 4.470 0.001 0.000 0.223 177 S C 2.157 176.624 174.600 -0.222 0.000 1.039 177 S CA 1.935 59.807 58.200 -0.546 0.000 1.042 177 S CB -0.492 62.746 63.200 0.065 0.000 0.915 177 S HN 0.632 nan 8.310 nan 0.000 0.439 178 A N 0.058 122.786 122.820 -0.154 0.000 1.978 178 A HA -0.107 4.214 4.320 0.001 0.000 0.220 178 A C 2.023 179.599 177.584 -0.013 0.000 1.170 178 A CA 1.896 53.930 52.037 -0.006 0.000 0.636 178 A CB -1.141 17.827 19.000 -0.054 0.000 0.810 178 A HN 0.827 nan 8.150 nan 0.000 0.448 179 Y N -0.145 120.030 120.300 -0.208 0.000 2.145 179 Y HA -0.191 4.360 4.550 0.001 0.000 0.286 179 Y C 1.865 177.778 175.900 0.022 0.000 1.145 179 Y CA 1.448 59.467 58.100 -0.134 0.000 1.148 179 Y CB -0.601 37.755 38.460 -0.172 0.000 0.981 179 Y HN 0.261 nan 8.280 nan 0.000 0.507 180 F N 0.523 120.288 119.950 -0.310 0.000 2.095 180 F HA -0.074 4.454 4.527 0.001 0.000 0.298 180 F C 2.776 178.450 175.800 -0.210 0.000 1.104 180 F CA 1.085 58.892 58.000 -0.322 0.000 1.232 180 F CB -1.586 37.317 39.000 -0.162 0.000 0.987 180 F HN 0.163 nan 8.300 nan 0.000 0.475 181 G N -0.605 108.260 108.800 0.107 0.000 2.440 181 G HA2 -0.265 3.696 3.960 0.001 0.000 0.218 181 G HA3 -0.265 3.696 3.960 0.001 0.000 0.218 181 G C 1.638 176.486 174.900 -0.088 0.000 1.154 181 G CA 0.927 46.082 45.100 0.091 0.000 0.767 181 G HN 0.346 nan 8.290 nan 0.000 0.552 182 E N -0.101 119.853 120.200 -0.411 0.000 2.058 182 E HA -0.137 4.213 4.350 0.001 0.000 0.194 182 E C 2.806 179.252 176.600 -0.255 0.000 0.997 182 E CA 1.264 57.278 56.400 -0.643 0.000 0.801 182 E CB -0.001 29.389 29.700 -0.517 0.000 0.746 182 E HN 0.374 nan 8.360 nan 0.000 0.450 183 Q N -0.423 119.241 119.800 -0.227 0.000 2.187 183 Q HA -0.038 4.303 4.340 0.001 0.000 0.199 183 Q C 2.059 177.996 176.000 -0.104 0.000 0.957 183 Q CA 0.864 56.564 55.803 -0.171 0.000 0.857 183 Q CB 0.274 28.838 28.738 -0.290 0.000 0.929 183 Q HN 0.369 nan 8.270 nan 0.000 0.453 184 L N -1.365 119.809 121.223 -0.082 0.000 2.616 184 L HA 0.278 4.619 4.340 0.001 0.000 0.229 184 L C 1.082 177.944 176.870 -0.013 0.000 1.110 184 L CA 0.404 55.214 54.840 -0.050 0.000 0.884 184 L CB 0.250 42.274 42.059 -0.058 0.000 1.115 184 L HN 0.279 nan 8.230 nan 0.000 0.481 185 G N 0.757 109.564 108.800 0.012 0.000 2.143 185 G HA2 -0.271 3.690 3.960 0.001 0.000 0.249 185 G HA3 -0.271 3.690 3.960 0.001 0.000 0.249 185 G C 0.284 175.226 174.900 0.069 0.000 0.981 185 G CA 0.466 45.596 45.100 0.050 0.000 0.665 185 G HN 0.338 nan 8.290 nan 0.000 0.528 186 T N 0.919 115.518 114.554 0.075 0.000 2.952 186 T HA 0.659 5.010 4.350 0.001 0.000 0.305 186 T C -2.873 171.894 174.700 0.111 0.000 1.064 186 T CA -1.043 61.108 62.100 0.084 0.000 1.008 186 T CB 2.663 71.567 68.868 0.059 0.000 1.078 186 T HN 0.041 nan 8.240 nan 0.000 0.459 187 P HA 0.191 nan 4.420 nan 0.000 0.268 187 P C -0.518 176.839 177.300 0.095 0.000 1.205 187 P CA -0.149 63.024 63.100 0.121 0.000 0.771 187 P CB 0.696 32.442 31.700 0.076 0.000 0.858 188 S N 2.201 117.975 115.700 0.123 0.000 2.499 188 S HA 0.354 4.825 4.470 0.001 0.000 0.279 188 S C 0.034 174.636 174.600 0.003 0.000 1.219 188 S CA -0.597 57.686 58.200 0.138 0.000 1.062 188 S CB 0.067 63.435 63.200 0.281 0.000 0.978 188 S HN 0.184 nan 8.310 nan 0.000 0.489 192 I N 2.847 123.387 120.570 -0.051 0.000 2.330 192 I HA 0.411 4.582 4.170 0.001 0.000 0.289 192 I C -0.842 175.283 176.117 0.013 0.000 1.001 192 I CA -0.461 60.822 61.300 -0.030 0.000 1.193 192 I CB 0.911 38.878 38.000 -0.054 0.000 1.345 192 I HN 0.454 nan 8.210 nan 0.000 0.461 193 W N 9.467 130.717 121.300 -0.082 0.000 2.839 193 W HA 0.744 5.405 4.660 0.001 0.000 0.334 193 W C -1.472 175.031 176.519 -0.026 0.000 1.064 193 W CA -0.818 56.493 57.345 -0.056 0.000 1.236 193 W CB 1.224 30.665 29.460 -0.032 0.000 1.405 193 W HN 0.344 nan 8.180 nan 0.000 0.478 194 I N 4.430 124.309 120.570 -1.152 0.000 2.892 194 I HA 0.674 4.845 4.170 0.001 0.000 0.306 194 I C -2.030 173.067 176.117 -1.701 0.000 1.078 194 I CA -2.785 57.791 61.300 -1.207 0.000 1.032 194 I CB 2.873 40.499 38.000 -0.624 0.000 1.229 194 I HN 0.284 nan 8.210 nan 0.000 0.435 195 P HA 0.103 nan 4.420 nan 0.000 0.255 195 P C -0.522 176.418 177.300 -0.600 0.000 1.248 195 P CA 0.100 62.680 63.100 -0.867 0.000 0.807 195 P CB -0.175 31.226 31.700 -0.500 0.000 1.150 196 D N 1.187 121.206 120.400 -0.636 0.000 2.658 196 D HA 0.295 4.936 4.640 0.001 0.000 0.230 196 D C 1.289 177.191 176.300 -0.663 0.000 1.118 196 D CA 1.511 55.119 54.000 -0.653 0.000 0.848 196 D CB -0.083 40.459 40.800 -0.429 0.000 1.160 196 D HN 0.229 nan 8.370 nan 0.000 0.497 200 D N 0.147 120.582 120.400 0.058 0.000 2.689 200 D HA 0.319 4.960 4.640 0.001 0.000 0.255 200 D C -0.287 176.037 176.300 0.040 0.000 1.113 200 D CA -0.743 53.280 54.000 0.040 0.000 1.115 200 D CB 1.144 41.958 40.800 0.024 0.000 1.334 200 D HN 0.086 nan 8.370 nan 0.000 0.621 201 I N 1.406 121.986 120.570 0.017 0.000 3.015 201 I HA -0.065 4.105 4.170 0.001 0.000 0.309 201 I C 0.598 176.708 176.117 -0.012 0.000 1.229 201 I CA 1.014 62.314 61.300 -0.000 0.000 1.430 201 I CB -1.361 36.634 38.000 -0.008 0.000 1.347 201 I HN 0.132 nan 8.210 nan 0.000 0.544 202 T N 6.510 121.035 114.554 -0.048 0.000 2.824 202 T HA 0.411 4.762 4.350 0.001 0.000 0.280 202 T C 1.338 175.957 174.700 -0.134 0.000 0.995 202 T CA -0.571 61.466 62.100 -0.106 0.000 1.009 202 T CB 2.601 71.327 68.868 -0.237 0.000 0.955 202 T HN 0.357 nan 8.240 nan 0.000 0.452 203 V N 0.949 120.792 119.914 -0.118 0.000 2.500 203 V HA 0.082 4.203 4.120 0.001 0.000 0.243 203 V C 0.733 176.746 176.094 -0.135 0.000 1.039 203 V CA 1.035 63.272 62.300 -0.105 0.000 1.053 203 V CB 0.010 31.790 31.823 -0.073 0.000 0.695 203 V HN 0.798 nan 8.190 nan 0.000 0.463 204 D N -0.446 119.852 120.400 -0.170 0.000 2.446 204 D HA 0.291 4.932 4.640 0.001 0.000 0.251 204 D C 0.932 177.078 176.300 -0.257 0.000 1.137 204 D CA -0.305 53.595 54.000 -0.168 0.000 0.890 204 D CB 1.035 41.767 40.800 -0.113 0.000 1.071 204 D HN 0.084 nan 8.370 nan 0.000 0.528 205 R N 1.916 122.225 120.500 -0.317 0.000 2.276 205 R HA 0.061 4.402 4.340 0.001 0.000 0.196 205 R C 1.674 177.937 176.300 -0.062 0.000 0.961 205 R CA 0.120 55.954 56.100 -0.443 0.000 1.024 205 R CB 0.380 30.424 30.300 -0.428 0.000 0.940 205 R HN 0.291 nan 8.270 nan 0.000 0.480 206 L N 0.545 121.741 121.223 -0.046 0.000 2.049 206 L HA 0.090 4.431 4.340 0.001 0.000 0.203 206 L C 2.189 179.077 176.870 0.030 0.000 1.074 206 L CA 1.813 56.664 54.840 0.019 0.000 0.749 206 L CB -0.732 41.331 42.059 0.007 0.000 0.907 206 L HN 0.085 nan 8.230 nan 0.000 0.439 207 A N 0.278 123.095 122.820 -0.005 0.000 1.917 207 A HA -0.131 4.190 4.320 0.001 0.000 0.219 207 A C -0.009 177.574 177.584 -0.003 0.000 1.182 207 A CA 2.095 54.127 52.037 -0.008 0.000 0.633 207 A CB -2.177 16.798 19.000 -0.041 0.000 0.819 207 A HN 0.470 nan 8.150 nan 0.000 0.448 208 P HA -0.130 nan 4.420 nan 0.000 0.217 208 P C 1.429 178.719 177.300 -0.017 0.000 1.150 208 P CA 1.265 64.369 63.100 0.008 0.000 0.832 208 P CB -0.121 31.650 31.700 0.118 0.000 0.787 209 R N -0.538 119.970 120.500 0.013 0.000 2.090 209 R HA -0.063 4.278 4.340 0.001 0.000 0.228 209 R C 2.504 178.871 176.300 0.112 0.000 1.110 209 R CA 1.164 57.238 56.100 -0.043 0.000 0.973 209 R CB -0.557 29.787 30.300 0.072 0.000 0.869 209 R HN 0.306 nan 8.270 nan 0.000 0.440 210 Q N 0.164 120.027 119.800 0.105 0.000 2.096 210 Q HA -0.152 4.188 4.340 0.001 0.000 0.204 210 Q C 2.132 178.191 176.000 0.098 0.000 0.982 210 Q CA 1.466 57.338 55.803 0.114 0.000 0.850 210 Q CB -0.036 28.744 28.738 0.070 0.000 0.901 210 Q HN 0.283 nan 8.270 nan 0.000 0.422 211 R N 0.043 120.576 120.500 0.054 0.000 2.092 211 R HA -0.130 4.211 4.340 0.001 0.000 0.231 211 R C 2.292 178.623 176.300 0.051 0.000 1.119 211 R CA 0.871 57.000 56.100 0.049 0.000 0.970 211 R CB -0.331 29.985 30.300 0.026 0.000 0.864 211 R HN 0.183 nan 8.270 nan 0.000 0.440 212 L N 1.036 122.263 121.223 0.006 0.000 2.046 212 L HA -0.132 4.209 4.340 0.001 0.000 0.208 212 L C 2.053 178.986 176.870 0.105 0.000 1.077 212 L CA 1.452 56.268 54.840 -0.039 0.000 0.747 212 L CB -0.575 41.286 42.059 -0.331 0.000 0.896 212 L HN 0.096 nan 8.230 nan 0.000 0.432 213 L N 0.021 121.402 121.223 0.264 0.000 2.012 213 L HA -0.128 4.213 4.340 0.001 0.000 0.210 213 L C 2.500 179.514 176.870 0.239 0.000 1.073 213 L CA 2.208 57.258 54.840 0.349 0.000 0.748 213 L CB -1.127 41.145 42.059 0.355 0.000 0.891 213 L HN 0.299 nan 8.230 nan 0.000 0.431 214 A N -0.672 122.248 122.820 0.167 0.000 1.898 214 A HA -0.065 4.256 4.320 0.001 0.000 0.216 214 A C 2.445 180.100 177.584 0.118 0.000 1.181 214 A CA 1.761 53.877 52.037 0.132 0.000 0.620 214 A CB -1.170 17.889 19.000 0.098 0.000 0.819 214 A HN 0.584 nan 8.150 nan 0.000 0.442 215 A N -0.129 122.751 122.820 0.099 0.000 1.877 215 A HA -0.066 4.254 4.320 0.001 0.000 0.216 215 A C 2.158 179.792 177.584 0.082 0.000 1.186 215 A CA 1.556 53.644 52.037 0.086 0.000 0.620 215 A CB -0.669 18.377 19.000 0.077 0.000 0.822 215 A HN 0.471 nan 8.150 nan 0.000 0.443 216 L N -0.536 120.722 121.223 0.058 0.000 2.131 216 L HA -0.187 4.154 4.340 0.001 0.000 0.210 216 L C 2.000 178.971 176.870 0.168 0.000 1.092 216 L CA 1.276 56.133 54.840 0.030 0.000 0.759 216 L CB -0.631 41.263 42.059 -0.276 0.000 0.903 216 L HN 0.290 nan 8.230 nan 0.000 0.435 217 D N -0.159 120.381 120.400 0.232 0.000 2.144 217 D HA -0.219 4.421 4.640 0.001 0.000 0.199 217 D C 2.055 178.442 176.300 0.145 0.000 0.984 217 D CA 1.111 55.252 54.000 0.234 0.000 0.834 217 D CB 0.078 40.995 40.800 0.196 0.000 0.955 217 D HN 0.391 nan 8.370 nan 0.000 0.465 218 E N 0.239 120.508 120.200 0.115 0.000 2.072 218 E HA -0.114 4.237 4.350 0.001 0.000 0.191 218 E C 2.065 178.709 176.600 0.073 0.000 0.985 218 E CA 0.551 57.000 56.400 0.082 0.000 0.801 218 E CB 0.206 29.948 29.700 0.071 0.000 0.750 218 E HN -0.025 nan 8.360 nan 0.000 0.452 219 V N 1.943 121.904 119.914 0.079 0.000 2.392 219 V HA -0.246 3.874 4.120 0.001 0.000 0.249 219 V C 2.310 178.447 176.094 0.071 0.000 1.059 219 V CA 1.960 64.297 62.300 0.062 0.000 1.051 219 V CB -0.578 31.278 31.823 0.055 0.000 0.658 219 V HN 0.494 nan 8.190 nan 0.000 0.455 220 I N -0.849 119.787 120.570 0.110 0.000 3.810 220 I HA 0.111 4.282 4.170 0.001 0.000 0.322 220 I C 2.110 178.281 176.117 0.090 0.000 1.288 220 I CA 0.749 62.119 61.300 0.117 0.000 1.143 220 I CB -0.229 37.873 38.000 0.170 0.000 1.012 220 I HN 0.228 nan 8.210 nan 0.000 0.423 221 S N 0.333 116.077 115.700 0.072 0.000 2.402 221 S HA -0.155 4.316 4.470 0.001 0.000 0.229 221 S C 1.025 175.647 174.600 0.036 0.000 1.021 221 S CA 0.433 58.666 58.200 0.054 0.000 0.974 221 S CB -0.495 62.734 63.200 0.048 0.000 0.800 221 S HN 0.724 nan 8.310 nan 0.000 0.484 222 E N 1.834 122.048 120.200 0.023 0.000 2.217 222 E HA 0.178 4.529 4.350 0.001 0.000 0.279 222 E C -0.955 175.652 176.600 0.013 0.000 1.068 222 E CA -0.309 56.096 56.400 0.008 0.000 0.882 222 E CB 0.360 30.051 29.700 -0.014 0.000 1.039 222 E HN 0.267 nan 8.360 nan 0.000 0.418 223 K N 4.191 124.602 120.400 0.018 0.000 2.339 223 K HA 0.248 4.568 4.320 0.001 0.000 0.286 223 K C -0.524 176.089 176.600 0.022 0.000 1.050 223 K CA 0.039 56.343 56.287 0.027 0.000 0.956 223 K CB 0.610 33.125 32.500 0.026 0.000 0.990 223 K HN 0.424 nan 8.250 nan 0.000 0.475 224 L N 1.932 123.179 121.223 0.040 0.000 2.319 224 L HA 0.359 4.700 4.340 0.001 0.000 0.267 224 L C 0.183 177.091 176.870 0.063 0.000 1.011 224 L CA -1.325 53.537 54.840 0.037 0.000 0.818 224 L CB 1.218 43.260 42.059 -0.028 0.000 1.316 224 L HN 0.558 nan 8.230 nan 0.000 0.432 225 N N 2.863 121.596 118.700 0.055 0.000 2.434 225 N HA 0.034 4.775 4.740 0.001 0.000 0.268 225 N C -1.721 173.766 175.510 -0.040 0.000 1.256 225 N CA -1.285 51.742 53.050 -0.038 0.000 0.914 225 N CB 1.029 39.415 38.487 -0.168 0.000 1.088 225 N HN 0.321 nan 8.380 nan 0.000 0.478 226 P HA -0.094 nan 4.420 nan 0.000 0.223 226 P C 0.517 177.787 177.300 -0.049 0.000 1.144 226 P CA 0.770 63.861 63.100 -0.014 0.000 0.783 226 P CB 0.139 31.831 31.700 -0.013 0.000 0.771 227 A N -1.165 121.553 122.820 -0.169 0.000 2.167 227 A HA -0.085 4.236 4.320 0.001 0.000 0.214 227 A C 1.505 179.041 177.584 -0.081 0.000 1.151 227 A CA 0.917 52.850 52.037 -0.173 0.000 0.735 227 A CB -1.163 17.660 19.000 -0.296 0.000 0.802 227 A HN 0.330 nan 8.150 nan 0.000 0.467 228 H N -3.802 115.311 119.070 0.072 0.000 3.058 228 H HA 0.234 4.791 4.556 0.001 0.000 0.258 228 H C -0.030 175.378 175.328 0.133 0.000 1.015 228 H CA 0.215 56.315 56.048 0.086 0.000 1.210 228 H CB 0.517 30.326 29.762 0.078 0.000 1.481 228 H HN 0.618 nan 8.280 nan 0.000 0.492 229 H N -0.019 119.112 119.070 0.102 0.000 2.974 229 H HA 0.508 5.065 4.556 0.001 0.000 0.366 229 H C -1.783 173.552 175.328 0.012 0.000 1.155 229 H CA -0.713 55.365 56.048 0.049 0.000 1.186 229 H CB 1.320 31.108 29.762 0.043 0.000 1.799 229 H HN 0.009 nan 8.280 nan 0.000 0.541 230 I N 3.331 123.484 120.570 -0.695 0.000 2.619 230 I HA 0.221 4.392 4.170 0.001 0.000 0.292 230 I C -0.949 174.766 176.117 -0.671 0.000 1.100 230 I CA -0.901 60.090 61.300 -0.515 0.000 1.043 230 I CB 2.173 39.986 38.000 -0.312 0.000 1.239 230 I HN 0.577 nan 8.210 nan 0.000 0.420 231 D N 5.068 125.250 120.400 -0.363 0.000 2.177 231 D HA 0.642 5.283 4.640 0.001 0.000 0.247 231 D C -0.543 175.697 176.300 -0.101 0.000 1.063 231 D CA -0.036 53.862 54.000 -0.170 0.000 0.867 231 D CB 2.341 43.159 40.800 0.030 0.000 1.168 231 D HN 0.570 nan 8.370 nan 0.000 0.445 232 A N 1.264 124.029 122.820 -0.092 0.000 2.454 232 A HA 0.681 5.002 4.320 0.001 0.000 0.302 232 A C -0.631 176.890 177.584 -0.105 0.000 1.079 232 A CA -0.730 51.255 52.037 -0.088 0.000 0.731 232 A CB 1.606 20.529 19.000 -0.127 0.000 1.299 232 A HN 0.342 nan 8.150 nan 0.000 0.413 233 V N -0.914 118.907 119.914 -0.155 0.000 2.604 233 V HA 0.833 4.954 4.120 0.001 0.000 0.305 233 V C -0.521 175.251 176.094 -0.535 0.000 1.043 233 V CA -0.577 61.484 62.300 -0.398 0.000 0.888 233 V CB 1.471 33.032 31.823 -0.436 0.000 0.995 233 V HN 0.992 nan 8.190 nan 0.000 0.429 234 E N 2.913 122.731 120.200 -0.636 0.000 2.224 234 E HA 0.601 4.952 4.350 0.001 0.000 0.265 234 E C -0.222 176.317 176.600 -0.102 0.000 0.878 234 E CA -0.437 55.776 56.400 -0.312 0.000 0.759 234 E CB 2.094 31.730 29.700 -0.107 0.000 1.164 234 E HN 1.074 nan 8.360 nan 0.000 0.414 235 S N 3.911 119.696 115.700 0.142 0.000 2.669 235 S HA 0.519 4.990 4.470 0.001 0.000 0.270 235 S C -0.215 174.629 174.600 0.406 0.000 1.225 235 S CA -0.751 57.699 58.200 0.416 0.000 0.991 235 S CB 1.535 64.947 63.200 0.353 0.000 0.987 235 S HN 0.529 nan 8.310 nan 0.000 0.552 236 K N -0.108 120.474 120.400 0.302 0.000 2.542 236 K HA 0.377 4.698 4.320 0.001 0.000 0.259 236 K C -0.020 176.496 176.600 -0.140 0.000 0.932 236 K CA -0.793 55.557 56.287 0.105 0.000 0.820 236 K CB 1.631 34.120 32.500 -0.018 0.000 1.345 236 K HN 0.493 nan 8.250 nan 0.000 0.432 237 L N 4.617 125.682 121.223 -0.263 0.000 2.095 237 L HA 0.288 4.629 4.340 0.001 0.000 0.204 237 L C -0.144 176.770 176.870 0.073 0.000 1.080 237 L CA 1.546 56.313 54.840 -0.121 0.000 0.759 237 L CB -0.138 41.830 42.059 -0.151 0.000 0.914 237 L HN 0.647 nan 8.230 nan 0.000 0.439 238 F N -2.621 117.234 119.950 -0.158 0.000 2.807 238 F HA 0.713 5.240 4.527 0.001 0.000 0.316 238 F C -0.483 175.283 175.800 -0.058 0.000 1.162 238 F CA -0.614 57.332 58.000 -0.090 0.000 0.910 238 F CB 0.444 39.413 39.000 -0.052 0.000 1.314 238 F HN -0.074 nan 8.300 nan 0.000 0.454 239 G N 1.554 110.294 108.800 -0.100 0.000 2.696 239 G HA2 0.577 4.538 3.960 0.001 0.000 0.295 239 G HA3 0.577 4.538 3.960 0.001 0.000 0.295 239 G C -1.301 173.675 174.900 0.127 0.000 1.398 239 G CA -1.154 43.878 45.100 -0.115 0.000 0.920 239 G HN 0.783 nan 8.290 nan 0.000 0.492 240 I N 1.371 122.031 120.570 0.150 0.000 2.906 240 I HA 0.106 4.277 4.170 0.001 0.000 0.301 240 I C 1.655 177.814 176.117 0.069 0.000 1.221 240 I CA 2.086 63.456 61.300 0.117 0.000 1.435 240 I CB -0.056 37.977 38.000 0.054 0.000 1.345 240 I HN 1.258 nan 8.210 nan 0.000 0.558 241 G N 5.034 113.868 108.800 0.056 0.000 2.205 241 G HA2 -0.218 3.742 3.960 0.001 0.000 0.261 241 G HA3 -0.218 3.742 3.960 0.001 0.000 0.261 241 G C 0.521 175.429 174.900 0.013 0.000 0.980 241 G CA 0.269 45.384 45.100 0.025 0.000 0.632 241 G HN 1.156 nan 8.290 nan 0.000 0.533 242 A N 0.231 123.072 122.820 0.034 0.000 2.806 242 A HA 0.612 4.933 4.320 0.001 0.000 0.266 242 A C 1.390 179.025 177.584 0.084 0.000 0.926 242 A CA 1.007 53.044 52.037 -0.000 0.000 1.068 242 A CB 0.122 19.076 19.000 -0.077 0.000 1.189 242 A HN 0.516 nan 8.150 nan 0.000 0.481 243 E N -0.221 120.051 120.200 0.120 0.000 2.285 243 E HA -0.041 4.309 4.350 0.001 0.000 0.194 243 E C 0.949 177.596 176.600 0.079 0.000 0.997 243 E CA 1.393 57.885 56.400 0.154 0.000 0.845 243 E CB -0.331 29.452 29.700 0.138 0.000 0.782 243 E HN 0.339 nan 8.360 nan 0.000 0.491 244 S N -0.459 115.292 115.700 0.085 0.000 2.478 244 S HA 0.052 4.523 4.470 0.001 0.000 0.222 244 S C -0.193 174.519 174.600 0.185 0.000 1.008 244 S CA 0.126 58.382 58.200 0.094 0.000 0.928 244 S CB -0.140 63.106 63.200 0.077 0.000 0.781 244 S HN 0.436 nan 8.310 nan 0.000 0.518 245 Y N 1.075 121.388 120.300 0.022 0.000 2.482 245 Y HA 0.458 5.009 4.550 0.001 0.000 0.334 245 Y C -1.633 174.264 175.900 -0.004 0.000 1.091 245 Y CA -0.997 57.113 58.100 0.017 0.000 1.027 245 Y CB 1.016 39.490 38.460 0.023 0.000 1.306 245 Y HN -0.228 nan 8.280 nan 0.000 0.446 246 T N 5.955 120.275 114.554 -0.390 0.000 2.812 246 T HA 0.345 4.695 4.350 0.001 0.000 0.282 246 T C 0.804 175.017 174.700 -0.811 0.000 0.990 246 T CA -0.511 61.264 62.100 -0.541 0.000 0.960 246 T CB 1.593 70.325 68.868 -0.226 0.000 0.948 246 T HN 0.573 nan 8.240 nan 0.000 0.438 247 V N 2.600 121.957 119.914 -0.928 0.000 2.255 247 V HA -0.019 4.102 4.120 0.001 0.000 0.247 247 V C 1.918 177.612 176.094 -0.666 0.000 1.051 247 V CA 1.826 63.688 62.300 -0.730 0.000 1.018 247 V CB -0.686 30.834 31.823 -0.506 0.000 0.641 247 V HN 1.000 nan 8.190 nan 0.000 0.445 248 G N 1.526 109.955 108.800 -0.618 0.000 2.915 248 G HA2 0.382 4.343 3.960 0.001 0.000 0.298 248 G HA3 0.382 4.343 3.960 0.001 0.000 0.298 248 G C 0.278 175.044 174.900 -0.224 0.000 0.837 248 G CA 0.434 45.103 45.100 -0.718 0.000 1.752 248 G HN 0.567 nan 8.290 nan 0.000 0.526 249 S N 1.474 117.093 115.700 -0.134 0.000 2.686 249 S HA 0.191 4.662 4.470 0.001 0.000 0.270 249 S C 1.543 176.273 174.600 0.216 0.000 1.194 249 S CA -0.384 57.857 58.200 0.068 0.000 0.990 249 S CB 1.266 64.527 63.200 0.103 0.000 1.029 249 S HN 0.366 nan 8.310 nan 0.000 0.560 250 N N 1.128 119.960 118.700 0.221 0.000 2.043 250 N HA -0.195 4.546 4.740 0.001 0.000 0.193 250 N C 1.371 177.050 175.510 0.282 0.000 1.037 250 N CA 2.226 55.463 53.050 0.312 0.000 0.851 250 N CB -0.847 37.879 38.487 0.399 0.000 1.027 250 N HN 0.716 nan 8.380 nan 0.000 0.422 251 E N -0.359 119.975 120.200 0.224 0.000 2.077 251 E HA -0.089 4.262 4.350 0.001 0.000 0.193 251 E C 1.741 178.417 176.600 0.127 0.000 0.989 251 E CA 0.920 57.413 56.400 0.155 0.000 0.800 251 E CB -0.634 29.143 29.700 0.128 0.000 0.746 251 E HN 0.463 nan 8.360 nan 0.000 0.452 252 F N 0.128 120.086 119.950 0.015 0.000 2.091 252 F HA -0.200 4.327 4.527 0.001 0.000 0.299 252 F C 0.661 176.458 175.800 -0.005 0.000 1.103 252 F CA 1.229 59.183 58.000 -0.077 0.000 1.228 252 F CB -0.142 38.680 39.000 -0.296 0.000 0.984 252 F HN -0.070 nan 8.300 nan 0.000 0.477 256 Y N 2.210 122.375 120.300 -0.226 0.000 2.114 256 Y HA 0.124 4.675 4.550 0.001 0.000 0.284 256 Y C 2.988 178.876 175.900 -0.020 0.000 1.143 256 Y CA 2.992 61.000 58.100 -0.153 0.000 1.135 256 Y CB -0.130 38.249 38.460 -0.136 0.000 0.980 256 Y HN 0.283 nan 8.280 nan 0.000 0.499 257 A N -1.227 121.667 122.820 0.124 0.000 1.969 257 A HA -0.157 4.164 4.320 0.001 0.000 0.218 257 A C 2.198 179.768 177.584 -0.022 0.000 1.169 257 A CA 2.132 54.208 52.037 0.065 0.000 0.635 257 A CB -1.180 17.891 19.000 0.118 0.000 0.810 257 A HN 0.506 nan 8.150 nan 0.000 0.445 258 T N 0.335 114.872 114.554 -0.028 0.000 2.770 258 T HA -0.121 4.230 4.350 0.001 0.000 0.263 258 T C 2.391 177.047 174.700 -0.074 0.000 1.039 258 T CA 1.926 64.015 62.100 -0.018 0.000 1.142 258 T CB -0.368 68.472 68.868 -0.047 0.000 0.868 258 T HN 0.780 nan 8.240 nan 0.000 0.435 259 S N 1.264 116.873 115.700 -0.151 0.000 2.406 259 S HA 0.021 4.492 4.470 0.001 0.000 0.228 259 S C 1.945 176.414 174.600 -0.218 0.000 1.020 259 S CA 0.551 58.645 58.200 -0.176 0.000 0.965 259 S CB -0.159 62.923 63.200 -0.196 0.000 0.798 259 S HN 0.214 nan 8.310 nan 0.000 0.488 260 R N 0.577 120.875 120.500 -0.336 0.000 2.312 260 R HA 0.337 4.678 4.340 0.001 0.000 0.205 260 R C 0.045 176.261 176.300 -0.141 0.000 0.904 260 R CA 0.171 56.087 56.100 -0.305 0.000 1.052 260 R CB -0.201 29.733 30.300 -0.611 0.000 1.014 260 R HN 0.269 nan 8.270 nan 0.000 0.503 261 Q N 0.319 120.060 119.800 -0.098 0.000 2.478 261 Q HA -0.160 4.181 4.340 0.001 0.000 0.286 261 Q C -0.372 175.625 176.000 -0.006 0.000 1.299 261 Q CA 1.498 57.282 55.803 -0.032 0.000 0.826 261 Q CB -2.545 26.181 28.738 -0.019 0.000 1.199 261 Q HN 0.560 nan 8.270 nan 0.000 0.451 262 T N -3.427 111.135 114.554 0.014 0.000 2.884 262 T HA 0.790 5.141 4.350 0.001 0.000 0.277 262 T C 0.555 175.276 174.700 0.034 0.000 0.976 262 T CA -0.291 61.838 62.100 0.048 0.000 0.956 262 T CB 1.850 70.796 68.868 0.130 0.000 1.113 262 T HN 0.407 nan 8.240 nan 0.000 0.554 263 A N 0.222 123.048 122.820 0.009 0.000 2.332 263 A HA 0.628 4.949 4.320 0.001 0.000 0.258 263 A C -0.449 177.140 177.584 0.008 0.000 1.087 263 A CA -0.689 51.348 52.037 0.001 0.000 0.802 263 A CB -0.030 18.944 19.000 -0.043 0.000 1.042 263 A HN 0.851 nan 8.150 nan 0.000 0.489 264 L N 1.411 122.642 121.223 0.012 0.000 2.341 264 L HA 0.562 4.903 4.340 0.001 0.000 0.278 264 L C -0.509 176.338 176.870 -0.039 0.000 1.005 264 L CA -0.325 54.521 54.840 0.010 0.000 0.818 264 L CB 1.383 43.478 42.059 0.061 0.000 1.259 264 L HN 0.754 nan 8.230 nan 0.000 0.418 265 C N 6.630 125.871 119.300 -0.098 0.000 2.255 265 C HA 0.586 5.046 4.460 0.001 0.000 0.326 265 C C -0.284 174.641 174.990 -0.108 0.000 1.258 265 C CA -0.837 58.065 59.018 -0.193 0.000 1.676 265 C CB -0.877 26.663 27.740 -0.334 0.000 2.314 265 C HN 0.768 nan 8.230 nan 0.000 0.509 266 L N 6.328 127.503 121.223 -0.079 0.000 2.287 266 L HA 0.436 4.777 4.340 0.001 0.000 0.287 266 L C -0.111 176.786 176.870 0.045 0.000 1.022 266 L CA 0.019 54.900 54.840 0.069 0.000 0.814 266 L CB 1.055 43.133 42.059 0.031 0.000 1.217 266 L HN 0.661 nan 8.230 nan 0.000 0.420 267 D N 2.615 123.104 120.400 0.148 0.000 2.349 267 D HA 0.280 4.921 4.640 0.001 0.000 0.232 267 D C 0.683 177.141 176.300 0.264 0.000 1.071 267 D CA -0.299 53.728 54.000 0.045 0.000 0.832 267 D CB 2.340 42.856 40.800 -0.473 0.000 1.086 267 D HN 0.614 nan 8.370 nan 0.000 0.504 268 A N 2.948 125.870 122.820 0.170 0.000 2.076 268 A HA -0.044 4.277 4.320 0.001 0.000 0.220 268 A C 1.738 179.436 177.584 0.189 0.000 1.160 268 A CA 1.621 53.751 52.037 0.156 0.000 0.653 268 A CB -0.163 18.878 19.000 0.068 0.000 0.801 268 A HN 0.603 nan 8.150 nan 0.000 0.455 269 G N -3.094 105.818 108.800 0.185 0.000 3.088 269 G HA2 0.118 4.079 3.960 0.001 0.000 0.217 269 G HA3 0.118 4.079 3.960 0.001 0.000 0.217 269 G C 0.837 175.833 174.900 0.161 0.000 1.159 269 G CA 0.029 45.208 45.100 0.132 0.000 0.760 269 G HN 0.741 nan 8.290 nan 0.000 0.550 270 H N -0.668 118.421 119.070 0.032 0.000 2.507 270 H HA 0.335 4.892 4.556 0.001 0.000 0.294 270 H C -0.237 174.864 175.328 -0.378 0.000 1.064 270 H CA -0.298 55.628 56.048 -0.204 0.000 1.138 270 H CB 0.340 29.897 29.762 -0.342 0.000 1.515 270 H HN 0.226 nan 8.280 nan 0.000 0.547 271 F N -1.021 119.012 119.950 0.138 0.000 2.732 271 F HA 0.248 4.775 4.527 0.001 0.000 0.394 271 F C 0.777 176.647 175.800 0.116 0.000 1.194 271 F CA -0.965 57.117 58.000 0.137 0.000 1.127 271 F CB 0.403 39.509 39.000 0.177 0.000 1.470 271 F HN 0.053 nan 8.300 nan 0.000 0.505 272 H N 0.067 119.362 119.070 0.376 0.000 2.603 272 H HA 0.250 4.807 4.556 0.001 0.000 0.370 272 H C -2.275 173.174 175.328 0.201 0.000 1.225 272 H CA -1.366 54.830 56.048 0.247 0.000 1.410 272 H CB -0.346 29.529 29.762 0.188 0.000 1.495 272 H HN 0.041 nan 8.280 nan 0.000 0.602 273 P HA -0.061 nan 4.420 nan 0.000 0.264 273 P C 0.621 178.014 177.300 0.156 0.000 1.193 273 P CA 1.010 64.222 63.100 0.187 0.000 0.763 273 P CB 0.422 32.208 31.700 0.143 0.000 0.810 274 T N -1.149 113.474 114.554 0.115 0.000 7.013 274 T HA -0.291 4.060 4.350 0.001 0.000 0.288 274 T C 0.195 174.939 174.700 0.073 0.000 2.146 274 T CA 1.137 63.282 62.100 0.074 0.000 3.498 274 T CB -2.357 66.542 68.868 0.053 0.000 1.517 274 T HN 0.578 nan 8.240 nan 0.000 1.113 275 E N 1.420 121.696 120.200 0.127 0.000 2.316 275 E HA 0.485 4.835 4.350 0.001 0.000 0.275 275 E C 0.283 176.895 176.600 0.020 0.000 1.029 275 E CA -0.232 56.228 56.400 0.100 0.000 0.871 275 E CB 1.113 30.960 29.700 0.246 0.000 1.022 275 E HN 0.821 nan 8.360 nan 0.000 0.418 276 V N 3.713 123.584 119.914 -0.072 0.000 2.540 276 V HA 0.307 4.428 4.120 0.001 0.000 0.302 276 V C 0.959 176.926 176.094 -0.211 0.000 1.035 276 V CA -0.660 61.574 62.300 -0.111 0.000 0.873 276 V CB 1.287 33.071 31.823 -0.066 0.000 0.992 276 V HN 0.859 nan 8.190 nan 0.000 0.428 277 I N 1.585 122.018 120.570 -0.229 0.000 2.676 277 I HA -0.023 4.148 4.170 0.001 0.000 0.259 277 I C 2.208 178.240 176.117 -0.143 0.000 1.194 277 I CA 1.732 62.877 61.300 -0.259 0.000 1.473 277 I CB -0.165 37.712 38.000 -0.206 0.000 1.096 277 I HN 0.775 nan 8.210 nan 0.000 0.443 278 S N 1.248 116.889 115.700 -0.099 0.000 2.383 278 S HA -0.305 4.166 4.470 0.001 0.000 0.229 278 S C 1.671 176.237 174.600 -0.057 0.000 1.030 278 S CA 1.740 59.898 58.200 -0.069 0.000 1.002 278 S CB -0.837 62.325 63.200 -0.063 0.000 0.829 278 S HN 0.687 nan 8.310 nan 0.000 0.467 279 D N 1.592 121.950 120.400 -0.070 0.000 2.144 279 D HA -0.094 4.547 4.640 0.001 0.000 0.199 279 D C 1.894 178.161 176.300 -0.055 0.000 0.984 279 D CA 1.198 55.166 54.000 -0.054 0.000 0.834 279 D CB -0.196 40.568 40.800 -0.061 0.000 0.955 279 D HN 0.503 nan 8.370 nan 0.000 0.465 280 K N -0.159 120.189 120.400 -0.087 0.000 2.211 280 K HA -0.036 4.285 4.320 0.001 0.000 0.203 280 K C 2.179 178.756 176.600 -0.037 0.000 1.050 280 K CA 0.628 56.872 56.287 -0.072 0.000 0.945 280 K CB 0.029 32.450 32.500 -0.131 0.000 0.732 280 K HN 0.303 nan 8.250 nan 0.000 0.451 281 I N 1.495 122.043 120.570 -0.037 0.000 2.127 281 I HA -0.348 3.823 4.170 0.001 0.000 0.241 281 I C 2.524 178.622 176.117 -0.032 0.000 1.075 281 I CA 1.771 63.059 61.300 -0.020 0.000 1.334 281 I CB -0.480 37.517 38.000 -0.005 0.000 1.040 281 I HN 0.216 nan 8.210 nan 0.000 0.405 282 S N 0.860 116.525 115.700 -0.058 0.000 2.423 282 S HA -0.024 4.447 4.470 0.001 0.000 0.231 282 S C 2.072 176.614 174.600 -0.098 0.000 1.014 282 S CA 0.672 58.777 58.200 -0.158 0.000 0.965 282 S CB -0.363 62.685 63.200 -0.253 0.000 0.785 282 S HN 0.417 nan 8.310 nan 0.000 0.495 283 A N 2.468 125.272 122.820 -0.028 0.000 1.855 283 A HA 0.580 4.900 4.320 0.001 0.000 0.213 283 A C 1.648 179.311 177.584 0.131 0.000 1.195 283 A CA 0.822 52.888 52.037 0.049 0.000 0.610 283 A CB -1.358 17.680 19.000 0.062 0.000 0.837 283 A HN 0.815 nan 8.150 nan 0.000 0.444 287 Y N -0.028 120.259 120.300 -0.022 0.000 2.512 287 Y HA 0.358 4.909 4.550 0.001 0.000 0.268 287 Y C 0.751 176.641 175.900 -0.016 0.000 1.102 287 Y CA -0.309 57.780 58.100 -0.018 0.000 1.261 287 Y CB 0.934 39.385 38.460 -0.015 0.000 1.250 287 Y HN -0.067 nan 8.280 nan 0.000 0.506 288 V N -1.157 118.835 119.914 0.130 0.000 2.667 288 V HA 0.501 4.622 4.120 0.001 0.000 0.308 288 V C -1.928 174.189 176.094 0.039 0.000 1.048 288 V CA -1.986 60.359 62.300 0.076 0.000 0.928 288 V CB 2.121 33.992 31.823 0.080 0.000 1.004 288 V HN -0.133 nan 8.190 nan 0.000 0.444 289 P HA 0.052 nan 4.420 nan 0.000 0.218 289 P C 0.040 177.360 177.300 0.034 0.000 1.152 289 P CA 1.059 64.173 63.100 0.023 0.000 0.826 289 P CB 0.332 32.044 31.700 0.020 0.000 0.790 290 Q N -0.803 119.025 119.800 0.047 0.000 2.456 290 Q HA 0.590 4.931 4.340 0.001 0.000 0.284 290 Q C -0.961 175.083 176.000 0.073 0.000 1.061 290 Q CA -0.778 55.073 55.803 0.080 0.000 0.799 290 Q CB 2.602 31.418 28.738 0.131 0.000 1.445 290 Q HN 0.015 nan 8.270 nan 0.000 0.411 291 L N 1.798 123.078 121.223 0.095 0.000 2.386 291 L HA 0.508 4.849 4.340 0.001 0.000 0.271 291 L C -1.092 175.835 176.870 0.095 0.000 0.993 291 L CA -0.989 53.885 54.840 0.058 0.000 0.819 291 L CB 1.932 44.001 42.059 0.016 0.000 1.294 291 L HN 0.390 nan 8.230 nan 0.000 0.414 292 L N 4.764 125.995 121.223 0.015 0.000 2.280 292 L HA 0.523 4.863 4.340 0.001 0.000 0.287 292 L C -1.034 175.776 176.870 -0.101 0.000 1.023 292 L CA 0.004 54.828 54.840 -0.026 0.000 0.819 292 L CB 1.030 43.011 42.059 -0.131 0.000 1.212 292 L HN 0.414 nan 8.230 nan 0.000 0.420 293 L N 5.839 127.048 121.223 -0.024 0.000 2.280 293 L HA 0.440 4.781 4.340 0.001 0.000 0.287 293 L C -0.377 176.557 176.870 0.107 0.000 1.023 293 L CA -0.415 54.420 54.840 -0.008 0.000 0.819 293 L CB 0.735 42.789 42.059 -0.008 0.000 1.212 293 L HN 0.602 nan 8.230 nan 0.000 0.420 294 H N 2.747 121.795 119.070 -0.037 0.000 2.556 294 H HA 0.407 4.964 4.556 0.001 0.000 0.310 294 H C -0.480 174.827 175.328 -0.034 0.000 1.057 294 H CA -0.933 55.081 56.048 -0.056 0.000 1.264 294 H CB 1.808 31.508 29.762 -0.103 0.000 1.404 294 H HN 0.428 nan 8.280 nan 0.000 0.462 295 V N 2.183 122.145 119.914 0.079 0.000 2.472 295 V HA 0.706 4.826 4.120 0.001 0.000 0.290 295 V C 0.068 176.224 176.094 0.103 0.000 1.037 295 V CA -0.627 61.712 62.300 0.064 0.000 0.908 295 V CB 1.251 33.099 31.823 0.042 0.000 0.985 295 V HN 0.813 nan 8.190 nan 0.000 0.454 296 S N 3.280 119.038 115.700 0.097 0.000 2.578 296 S HA 0.597 5.068 4.470 0.001 0.000 0.272 296 S C -1.011 173.604 174.600 0.026 0.000 1.145 296 S CA -1.063 57.211 58.200 0.123 0.000 0.835 296 S CB 1.938 65.231 63.200 0.156 0.000 1.104 296 S HN 1.115 nan 8.310 nan 0.000 0.458 297 R N 1.820 122.303 120.500 -0.028 0.000 2.215 297 R HA 0.524 4.865 4.340 0.001 0.000 0.337 297 R C -2.705 173.549 176.300 -0.077 0.000 1.010 297 R CA -2.034 54.030 56.100 -0.060 0.000 0.871 297 R CB 0.973 31.216 30.300 -0.094 0.000 1.134 297 R HN 0.516 nan 8.270 nan 0.000 0.477 298 P HA 0.093 nan 4.420 nan 0.000 0.280 298 P C -0.969 176.225 177.300 -0.177 0.000 1.244 298 P CA -0.263 62.755 63.100 -0.136 0.000 0.784 298 P CB 1.600 33.271 31.700 -0.049 0.000 0.913 299 V N 6.187 125.937 119.914 -0.274 0.000 2.398 299 V HA 0.307 4.428 4.120 0.001 0.000 0.282 299 V C 1.047 177.119 176.094 -0.036 0.000 1.014 299 V CA -0.579 61.562 62.300 -0.265 0.000 0.838 299 V CB 0.764 32.197 31.823 -0.650 0.000 1.018 299 V HN 0.601 nan 8.190 nan 0.000 0.432 300 R N 1.293 121.836 120.500 0.072 0.000 3.943 300 R HA -0.162 4.178 4.340 0.001 0.000 0.459 300 R C -0.013 176.535 176.300 0.414 0.000 0.939 300 R CA 2.138 58.368 56.100 0.217 0.000 1.515 300 R CB -1.309 29.126 30.300 0.226 0.000 2.164 300 R HN 0.991 nan 8.270 nan 0.000 0.516 301 W N -1.704 119.655 121.300 0.098 0.000 2.900 301 W HA 0.279 4.940 4.660 0.001 0.000 0.382 301 W C -1.345 175.238 176.519 0.106 0.000 1.108 301 W CA -0.780 56.680 57.345 0.192 0.000 1.132 301 W CB -0.115 29.498 29.460 0.254 0.000 1.474 301 W HN -0.165 nan 8.180 nan 0.000 0.566 302 D N 1.772 122.074 120.400 -0.163 0.000 2.736 302 D HA 0.097 4.738 4.640 0.001 0.000 0.228 302 D C 1.600 177.191 176.300 -1.182 0.000 1.077 302 D CA 0.941 54.611 54.000 -0.550 0.000 1.096 302 D CB -0.102 40.334 40.800 -0.607 0.000 1.138 302 D HN 0.414 nan 8.370 nan 0.000 0.461 303 S N 0.115 114.982 115.700 -1.388 0.000 2.461 303 S HA -0.102 4.369 4.470 0.001 0.000 0.228 303 S C 0.593 174.902 174.600 -0.485 0.000 1.005 303 S CA 0.036 57.396 58.200 -1.400 0.000 0.942 303 S CB 0.123 62.814 63.200 -0.848 0.000 0.776 303 S HN 0.373 nan 8.310 nan 0.000 0.514 304 D N 1.341 121.594 120.400 -0.245 0.000 2.739 304 D HA -0.121 4.520 4.640 0.001 0.000 0.240 304 D C -0.588 175.728 176.300 0.027 0.000 1.114 304 D CA 0.751 54.735 54.000 -0.027 0.000 0.695 304 D CB -1.785 39.029 40.800 0.022 0.000 1.078 304 D HN 0.561 nan 8.370 nan 0.000 0.434 305 H N -1.251 117.723 119.070 -0.160 0.000 2.603 305 H HA 0.388 4.944 4.556 0.001 0.000 0.370 305 H C 0.759 175.806 175.328 -0.468 0.000 1.225 305 H CA -0.305 55.605 56.048 -0.230 0.000 1.410 305 H CB 0.744 30.384 29.762 -0.203 0.000 1.495 305 H HN -0.148 nan 8.280 nan 0.000 0.602 306 V N 2.410 121.960 119.914 -0.607 0.000 2.673 306 V HA -0.069 4.052 4.120 0.001 0.000 0.303 306 V C 0.205 175.879 176.094 -0.700 0.000 1.046 306 V CA -0.144 61.415 62.300 -1.235 0.000 1.126 306 V CB 0.565 31.959 31.823 -0.716 0.000 0.934 306 V HN 0.442 nan 8.190 nan 0.000 0.487 307 V N 7.005 126.490 119.914 -0.715 0.000 2.540 307 V HA 0.094 4.214 4.120 0.001 0.000 0.297 307 V C 0.335 176.318 176.094 -0.185 0.000 1.024 307 V CA 0.404 62.545 62.300 -0.264 0.000 1.105 307 V CB 0.329 32.106 31.823 -0.077 0.000 0.938 307 V HN 0.540 nan 8.190 nan 0.000 0.482 308 L N 4.757 125.900 121.223 -0.132 0.000 2.332 308 L HA 0.524 4.865 4.340 0.001 0.000 0.269 308 L C -0.223 176.589 176.870 -0.097 0.000 1.016 308 L CA -1.038 53.744 54.840 -0.097 0.000 0.809 308 L CB 1.535 43.547 42.059 -0.079 0.000 1.280 308 L HN 0.432 nan 8.230 nan 0.000 0.447 309 L N 2.700 123.867 121.223 -0.093 0.000 2.375 309 L HA 0.248 4.588 4.340 0.001 0.000 0.276 309 L C -0.514 176.294 176.870 -0.104 0.000 1.162 309 L CA 0.180 54.944 54.840 -0.127 0.000 0.991 309 L CB -0.901 41.072 42.059 -0.143 0.000 1.315 309 L HN 0.625 nan 8.230 nan 0.000 0.431 310 D N 0.245 120.583 120.400 -0.103 0.000 2.687 310 D HA 0.266 4.906 4.640 0.001 0.000 0.264 310 D C 0.363 176.610 176.300 -0.089 0.000 1.091 310 D CA -0.572 53.379 54.000 -0.082 0.000 1.123 310 D CB 0.506 41.264 40.800 -0.069 0.000 1.407 310 D HN 0.125 nan 8.370 nan 0.000 0.591 311 D N -0.549 119.809 120.400 -0.070 0.000 2.106 311 D HA -0.179 4.462 4.640 0.001 0.000 0.191 311 D C 1.500 177.755 176.300 -0.075 0.000 0.997 311 D CA 1.681 55.639 54.000 -0.070 0.000 0.834 311 D CB -0.000 40.769 40.800 -0.051 0.000 0.956 311 D HN 0.611 nan 8.370 nan 0.000 0.448 312 E N 0.118 120.279 120.200 -0.065 0.000 2.107 312 E HA -0.079 4.272 4.350 0.001 0.000 0.191 312 E C 1.875 178.431 176.600 -0.073 0.000 0.982 312 E CA 1.251 57.614 56.400 -0.062 0.000 0.809 312 E CB -0.266 29.407 29.700 -0.044 0.000 0.756 312 E HN 0.073 nan 8.360 nan 0.000 0.459 313 T N 0.413 114.918 114.554 -0.080 0.000 2.746 313 T HA -0.194 4.157 4.350 0.001 0.000 0.267 313 T C 1.665 176.294 174.700 -0.119 0.000 1.039 313 T CA 1.483 63.528 62.100 -0.091 0.000 1.142 313 T CB -0.313 68.496 68.868 -0.098 0.000 0.866 313 T HN 0.149 nan 8.240 nan 0.000 0.444 314 Q N 1.372 121.091 119.800 -0.135 0.000 2.084 314 Q HA 0.069 4.410 4.340 0.001 0.000 0.202 314 Q C 2.319 178.238 176.000 -0.136 0.000 0.978 314 Q CA 1.790 57.497 55.803 -0.161 0.000 0.844 314 Q CB -0.788 27.846 28.738 -0.175 0.000 0.898 314 Q HN 0.506 nan 8.270 nan 0.000 0.426 315 A N 0.110 122.865 122.820 -0.109 0.000 1.902 315 A HA -0.158 4.162 4.320 0.001 0.000 0.217 315 A C 2.145 179.671 177.584 -0.096 0.000 1.181 315 A CA 1.549 53.529 52.037 -0.095 0.000 0.623 315 A CB -0.766 18.189 19.000 -0.076 0.000 0.818 315 A HN 0.467 nan 8.150 nan 0.000 0.443 316 I N -0.231 120.284 120.570 -0.092 0.000 2.142 316 I HA -0.302 3.869 4.170 0.001 0.000 0.240 316 I C 3.019 179.069 176.117 -0.112 0.000 1.078 316 I CA 1.180 62.427 61.300 -0.088 0.000 1.343 316 I CB -0.433 37.523 38.000 -0.074 0.000 1.046 316 I HN 0.352 nan 8.210 nan 0.000 0.405 317 A N 0.141 122.883 122.820 -0.130 0.000 1.892 317 A HA -0.246 4.075 4.320 0.001 0.000 0.218 317 A C 2.484 179.964 177.584 -0.174 0.000 1.188 317 A CA 2.457 54.400 52.037 -0.157 0.000 0.631 317 A CB -0.921 17.977 19.000 -0.170 0.000 0.822 317 A HN 0.415 nan 8.150 nan 0.000 0.447 318 S N -0.286 115.316 115.700 -0.163 0.000 2.370 318 S HA -0.157 4.314 4.470 0.001 0.000 0.226 318 S C 1.922 176.393 174.600 -0.215 0.000 1.033 318 S CA 1.441 59.536 58.200 -0.174 0.000 1.011 318 S CB -0.315 62.797 63.200 -0.147 0.000 0.852 318 S HN 0.607 nan 8.310 nan 0.000 0.457 319 E N 1.040 121.137 120.200 -0.170 0.000 2.072 319 E HA -0.045 4.306 4.350 0.001 0.000 0.191 319 E C 2.072 178.561 176.600 -0.185 0.000 0.985 319 E CA 0.636 56.936 56.400 -0.166 0.000 0.801 319 E CB -0.462 29.232 29.700 -0.010 0.000 0.750 319 E HN 0.516 nan 8.360 nan 0.000 0.452 320 I N 0.632 121.100 120.570 -0.169 0.000 2.118 320 I HA -0.293 3.877 4.170 0.001 0.000 0.241 320 I C 2.458 178.386 176.117 -0.315 0.000 1.070 320 I CA 1.105 62.274 61.300 -0.219 0.000 1.327 320 I CB -0.385 37.464 38.000 -0.252 0.000 1.034 320 I HN -0.052 nan 8.210 nan 0.000 0.405 321 V N 0.487 120.208 119.914 -0.321 0.000 2.323 321 V HA -0.218 3.902 4.120 0.001 0.000 0.244 321 V C 2.528 178.497 176.094 -0.208 0.000 1.041 321 V CA 1.702 63.829 62.300 -0.289 0.000 1.025 321 V CB -0.715 30.990 31.823 -0.196 0.000 0.656 321 V HN 0.333 nan 8.190 nan 0.000 0.451 322 R N -0.382 119.933 120.500 -0.309 0.000 2.103 322 R HA -0.153 4.187 4.340 0.001 0.000 0.242 322 R C 1.888 177.956 176.300 -0.387 0.000 1.142 322 R CA 1.531 57.394 56.100 -0.394 0.000 0.960 322 R CB -0.370 29.563 30.300 -0.611 0.000 0.858 322 R HN 0.605 nan 8.270 nan 0.000 0.439 323 H N -0.078 118.959 119.070 -0.055 0.000 2.538 323 H HA 0.049 4.606 4.556 0.001 0.000 0.286 323 H C -0.147 175.168 175.328 -0.021 0.000 1.035 323 H CA 0.030 56.054 56.048 -0.040 0.000 1.169 323 H CB -0.320 29.409 29.762 -0.055 0.000 1.417 323 H HN 0.177 nan 8.280 nan 0.000 0.567 324 D N 0.615 121.051 120.400 0.060 0.000 2.701 324 D HA -0.206 4.434 4.640 0.001 0.000 0.235 324 D C 0.537 176.908 176.300 0.119 0.000 1.155 324 D CA 0.128 54.227 54.000 0.166 0.000 0.649 324 D CB -1.374 39.544 40.800 0.195 0.000 1.050 324 D HN 0.400 nan 8.370 nan 0.000 0.425 325 L N -0.023 121.147 121.223 -0.089 0.000 2.627 325 L HA 0.086 4.427 4.340 0.001 0.000 0.233 325 L C 1.733 178.531 176.870 -0.119 0.000 1.144 325 L CA -0.268 54.517 54.840 -0.091 0.000 0.892 325 L CB -0.293 41.692 42.059 -0.123 0.000 1.039 325 L HN 0.200 nan 8.230 nan 0.000 0.442 326 F N 0.432 120.347 119.950 -0.058 0.000 2.082 326 F HA -0.372 4.156 4.527 0.001 0.000 0.298 326 F C 2.002 177.741 175.800 -0.102 0.000 1.091 326 F CA 1.652 59.608 58.000 -0.075 0.000 1.230 326 F CB -0.392 38.578 39.000 -0.051 0.000 0.983 326 F HN 0.251 nan 8.300 nan 0.000 0.485 327 D N -0.952 119.517 120.400 0.115 0.000 2.339 327 D HA 0.059 4.700 4.640 0.001 0.000 0.217 327 D C 1.653 177.934 176.300 -0.032 0.000 1.050 327 D CA 0.345 54.364 54.000 0.031 0.000 0.856 327 D CB 0.065 40.897 40.800 0.052 0.000 0.922 327 D HN 0.339 nan 8.370 nan 0.000 0.518 328 R N 0.022 120.479 120.500 -0.071 0.000 2.531 328 R HA 0.220 4.561 4.340 0.001 0.000 0.316 328 R C -0.244 175.974 176.300 -0.137 0.000 0.955 328 R CA 0.020 56.087 56.100 -0.056 0.000 1.120 328 R CB 1.991 32.284 30.300 -0.012 0.000 1.361 328 R HN -0.076 nan 8.270 nan 0.000 0.534 329 V N 1.466 121.194 119.914 -0.309 0.000 2.715 329 V HA 0.393 4.514 4.120 0.001 0.000 0.310 329 V C -0.436 175.301 176.094 -0.595 0.000 1.054 329 V CA -0.761 61.366 62.300 -0.288 0.000 0.928 329 V CB 2.373 34.087 31.823 -0.183 0.000 1.007 329 V HN 0.192 nan 8.190 nan 0.000 0.437 330 H N 4.147 123.199 119.070 -0.029 0.000 2.744 330 H HA 0.530 5.087 4.556 0.001 0.000 0.339 330 H C -1.073 174.249 175.328 -0.009 0.000 1.004 330 H CA -0.347 55.693 56.048 -0.013 0.000 1.257 330 H CB 2.125 31.882 29.762 -0.008 0.000 1.552 330 H HN 0.444 nan 8.280 nan 0.000 0.522 331 I N 2.251 122.860 120.570 0.065 0.000 2.354 331 I HA 0.494 4.664 4.170 0.001 0.000 0.292 331 I C 0.635 176.788 176.117 0.061 0.000 0.989 331 I CA -0.344 60.981 61.300 0.043 0.000 1.188 331 I CB 1.950 39.939 38.000 -0.017 0.000 1.342 331 I HN 0.587 nan 8.210 nan 0.000 0.457 332 G N 6.032 114.885 108.800 0.088 0.000 2.690 332 G HA2 0.659 4.620 3.960 0.001 0.000 0.293 332 G HA3 0.659 4.620 3.960 0.001 0.000 0.293 332 G C -1.130 173.710 174.900 -0.101 0.000 1.399 332 G CA -0.756 44.351 45.100 0.012 0.000 0.890 332 G HN 0.379 nan 8.290 nan 0.000 0.485 333 L N 0.649 121.716 121.223 -0.261 0.000 2.395 333 L HA 0.473 4.814 4.340 0.001 0.000 0.269 333 L C -0.404 175.959 176.870 -0.846 0.000 1.133 333 L CA -0.496 54.068 54.840 -0.460 0.000 0.812 333 L CB 1.371 43.060 42.059 -0.617 0.000 1.125 333 L HN 0.419 nan 8.230 nan 0.000 0.452 334 D N 2.528 122.502 120.400 -0.710 0.000 2.714 334 D HA 0.294 4.934 4.640 0.001 0.000 0.264 334 D C -1.174 174.972 176.300 -0.256 0.000 1.231 334 D CA -0.138 53.519 54.000 -0.572 0.000 0.802 334 D CB 0.360 40.886 40.800 -0.458 0.000 1.319 334 D HN 0.243 nan 8.370 nan 0.000 0.528 335 F N -0.378 119.404 119.950 -0.280 0.000 2.726 335 F HA 0.836 5.364 4.527 0.001 0.000 0.324 335 F C -1.832 174.140 175.800 0.286 0.000 1.140 335 F CA -1.558 56.438 58.000 -0.007 0.000 0.964 335 F CB 1.382 40.343 39.000 -0.065 0.000 1.399 335 F HN -0.120 nan 8.300 nan 0.000 0.491 336 F N 1.648 121.804 119.950 0.344 0.000 2.839 336 F HA 0.462 4.990 4.527 0.002 0.000 0.344 336 F C -2.151 173.712 175.800 0.105 0.000 1.242 336 F CA -1.054 57.075 58.000 0.214 0.000 1.091 336 F CB 1.177 40.279 39.000 0.169 0.000 1.374 336 F HN 0.662 nan 8.300 nan 0.000 0.553 337 D N 4.697 124.757 120.400 -0.566 0.000 2.505 337 D HA 0.580 5.220 4.640 0.001 0.000 0.250 337 D C -0.315 175.557 176.300 -0.713 0.000 1.164 337 D CA -0.050 53.564 54.000 -0.644 0.000 0.870 337 D CB 1.946 42.515 40.800 -0.384 0.000 1.160 337 D HN 0.645 nan 8.370 nan 0.000 0.549 338 A N 2.621 124.974 122.820 -0.778 0.000 2.460 338 A HA 0.155 4.476 4.320 0.001 0.000 0.258 338 A C 1.403 178.894 177.584 -0.154 0.000 1.300 338 A CA 0.327 52.117 52.037 -0.411 0.000 0.913 338 A CB -0.163 18.674 19.000 -0.271 0.000 1.031 338 A HN 0.440 nan 8.150 nan 0.000 0.512 339 S N -0.176 115.411 115.700 -0.188 0.000 2.535 339 S HA 0.360 4.831 4.470 0.001 0.000 0.214 339 S C 0.599 175.142 174.600 -0.096 0.000 0.980 339 S CA 0.253 58.414 58.200 -0.064 0.000 0.907 339 S CB -0.792 62.361 63.200 -0.079 0.000 0.790 339 S HN 0.707 nan 8.310 nan 0.000 0.510 340 I N -2.214 118.150 120.570 -0.342 0.000 3.322 340 I HA 0.522 4.693 4.170 0.001 0.000 0.313 340 I C -0.521 174.949 176.117 -1.078 0.000 1.129 340 I CA -1.315 59.568 61.300 -0.695 0.000 0.963 340 I CB 1.101 38.881 38.000 -0.367 0.000 1.273 340 I HN -0.149 nan 8.210 nan 0.000 0.473 341 N N 1.754 119.743 118.700 -1.185 0.000 2.411 341 N HA 0.044 4.785 4.740 0.001 0.000 0.261 341 N C 0.624 175.976 175.510 -0.264 0.000 1.248 341 N CA 0.299 52.963 53.050 -0.643 0.000 0.885 341 N CB 0.987 39.354 38.487 -0.200 0.000 1.062 341 N HN 0.654 nan 8.380 nan 0.000 0.471 342 R N 3.458 123.865 120.500 -0.155 0.000 2.096 342 R HA -0.091 4.250 4.340 0.001 0.000 0.235 342 R C 1.864 178.014 176.300 -0.250 0.000 1.127 342 R CA 1.308 57.255 56.100 -0.255 0.000 0.968 342 R CB -0.086 30.038 30.300 -0.293 0.000 0.861 342 R HN 0.591 nan 8.270 nan 0.000 0.440 343 I N 0.729 121.313 120.570 0.024 0.000 2.252 343 I HA -0.203 3.968 4.170 0.001 0.000 0.245 343 I C 2.530 178.758 176.117 0.184 0.000 1.102 343 I CA 1.262 62.700 61.300 0.229 0.000 1.385 343 I CB -0.317 37.843 38.000 0.267 0.000 1.064 343 I HN 0.166 nan 8.210 nan 0.000 0.414 344 A N 0.550 123.464 122.820 0.157 0.000 1.940 344 A HA -0.187 4.134 4.320 0.001 0.000 0.219 344 A C 2.536 180.190 177.584 0.116 0.000 1.176 344 A CA 1.893 54.069 52.037 0.232 0.000 0.631 344 A CB -1.009 18.154 19.000 0.272 0.000 0.814 344 A HN 0.413 nan 8.150 nan 0.000 0.446 345 A N -1.263 121.568 122.820 0.019 0.000 1.883 345 A HA -0.187 4.133 4.320 0.001 0.000 0.217 345 A C 2.044 179.756 177.584 0.212 0.000 1.186 345 A CA 1.504 53.562 52.037 0.035 0.000 0.624 345 A CB -0.823 18.157 19.000 -0.033 0.000 0.822 345 A HN 0.742 nan 8.150 nan 0.000 0.444 346 W N 0.022 121.389 121.300 0.111 0.000 2.358 346 W HA -0.100 4.561 4.660 0.002 0.000 0.303 346 W C 2.373 178.886 176.519 -0.010 0.000 1.208 346 W CA 1.299 58.692 57.345 0.079 0.000 1.274 346 W CB -1.078 28.362 29.460 -0.035 0.000 1.138 346 W HN 0.203 nan 8.180 nan 0.000 0.515 347 V N 0.600 120.577 119.914 0.106 0.000 2.295 347 V HA -0.308 3.813 4.120 0.001 0.000 0.246 347 V C 2.161 178.113 176.094 -0.237 0.000 1.049 347 V CA 1.748 63.905 62.300 -0.238 0.000 1.024 347 V CB -0.942 30.440 31.823 -0.734 0.000 0.648 347 V HN 0.010 nan 8.190 nan 0.000 0.447 348 I N 0.680 121.171 120.570 -0.132 0.000 2.127 348 I HA -0.197 3.974 4.170 0.001 0.000 0.241 348 I C 2.653 178.778 176.117 0.013 0.000 1.075 348 I CA 1.914 63.209 61.300 -0.008 0.000 1.334 348 I CB -1.085 36.967 38.000 0.088 0.000 1.040 348 I HN 0.402 nan 8.210 nan 0.000 0.405 349 G N 0.260 109.109 108.800 0.082 0.000 2.459 349 G HA2 -0.244 3.717 3.960 0.001 0.000 0.217 349 G HA3 -0.244 3.717 3.960 0.001 0.000 0.217 349 G C 1.654 176.632 174.900 0.130 0.000 1.183 349 G CA 1.584 46.769 45.100 0.141 0.000 0.776 349 G HN 0.337 nan 8.290 nan 0.000 0.552 350 T N 0.623 115.261 114.554 0.139 0.000 2.737 350 T HA -0.060 4.290 4.350 0.001 0.000 0.265 350 T C 2.467 177.200 174.700 0.056 0.000 1.038 350 T CA 1.161 63.309 62.100 0.080 0.000 1.144 350 T CB -0.162 68.738 68.868 0.053 0.000 0.866 350 T HN 0.239 nan 8.240 nan 0.000 0.434 351 R N 1.077 121.607 120.500 0.050 0.000 2.081 351 R HA 0.016 4.356 4.340 0.001 0.000 0.235 351 R C 1.104 177.346 176.300 -0.096 0.000 1.131 351 R CA 0.639 56.809 56.100 0.117 0.000 0.960 351 R CB -0.310 30.088 30.300 0.164 0.000 0.856 351 R HN 0.327 nan 8.270 nan 0.000 0.436 355 K N 1.668 121.778 120.400 -0.485 0.000 2.026 355 K HA -0.011 4.310 4.320 0.001 0.000 0.208 355 K C 2.115 178.436 176.600 -0.465 0.000 1.048 355 K CA 1.688 57.573 56.287 -0.671 0.000 0.929 355 K CB -0.109 31.897 32.500 -0.823 0.000 0.713 355 K HN 0.226 nan 8.250 nan 0.000 0.439 356 A N 1.319 123.913 122.820 -0.376 0.000 1.902 356 A HA -0.153 4.168 4.320 0.001 0.000 0.217 356 A C 2.137 179.565 177.584 -0.261 0.000 1.181 356 A CA 1.360 53.201 52.037 -0.326 0.000 0.623 356 A CB -0.696 18.156 19.000 -0.245 0.000 0.818 356 A HN 0.165 nan 8.150 nan 0.000 0.443 357 L N -1.185 119.915 121.223 -0.205 0.000 2.046 357 L HA -0.164 4.176 4.340 0.001 0.000 0.208 357 L C 2.551 179.331 176.870 -0.150 0.000 1.077 357 L CA 1.161 55.903 54.840 -0.164 0.000 0.747 357 L CB -0.515 41.467 42.059 -0.128 0.000 0.896 357 L HN 0.468 nan 8.230 nan 0.000 0.432 358 L N 0.010 121.145 121.223 -0.147 0.000 2.046 358 L HA -0.182 4.158 4.340 0.001 0.000 0.208 358 L C 2.693 179.487 176.870 -0.127 0.000 1.077 358 L CA 1.671 56.453 54.840 -0.097 0.000 0.747 358 L CB -0.438 41.635 42.059 0.023 0.000 0.896 358 L HN 0.065 nan 8.230 nan 0.000 0.432 359 R N -0.473 119.886 120.500 -0.235 0.000 2.105 359 R HA -0.113 4.228 4.340 0.001 0.000 0.239 359 R C 2.277 178.463 176.300 -0.189 0.000 1.135 359 R CA 1.321 57.252 56.100 -0.282 0.000 0.967 359 R CB -0.699 29.279 30.300 -0.537 0.000 0.861 359 R HN 0.533 nan 8.270 nan 0.000 0.442 360 A N 0.923 123.633 122.820 -0.183 0.000 1.930 360 A HA -0.090 4.231 4.320 0.001 0.000 0.217 360 A C 2.082 179.603 177.584 -0.105 0.000 1.175 360 A CA 1.044 52.995 52.037 -0.144 0.000 0.627 360 A CB -0.414 18.489 19.000 -0.161 0.000 0.815 360 A HN 0.196 nan 8.150 nan 0.000 0.443 361 L N -0.805 120.363 121.223 -0.092 0.000 2.362 361 L HA -0.044 4.297 4.340 0.001 0.000 0.219 361 L C 1.787 178.609 176.870 -0.081 0.000 1.134 361 L CA 0.538 55.348 54.840 -0.051 0.000 0.807 361 L CB -0.215 41.829 42.059 -0.025 0.000 0.927 361 L HN 0.350 nan 8.230 nan 0.000 0.447 362 L N -0.858 120.289 121.223 -0.127 0.000 2.592 362 L HA 0.076 4.417 4.340 0.001 0.000 0.227 362 L C 1.040 177.889 176.870 -0.034 0.000 1.127 362 L CA -0.143 54.578 54.840 -0.199 0.000 0.884 362 L CB -0.025 41.788 42.059 -0.411 0.000 1.065 362 L HN 0.180 nan 8.230 nan 0.000 0.457 363 E N 2.930 123.118 120.200 -0.020 0.000 2.360 363 E HA 0.070 4.421 4.350 0.001 0.000 0.269 363 E C -2.028 174.589 176.600 0.029 0.000 1.022 363 E CA -1.793 54.617 56.400 0.016 0.000 0.887 363 E CB 0.920 30.603 29.700 -0.028 0.000 0.990 363 E HN -0.085 nan 8.360 nan 0.000 0.426 364 P HA 0.074 nan 4.420 nan 0.000 0.225 364 P C 0.080 177.394 177.300 0.022 0.000 1.813 364 P CA -0.163 62.964 63.100 0.045 0.000 1.013 364 P CB 0.467 32.203 31.700 0.059 0.000 1.961 365 T N 0.943 115.502 114.554 0.007 0.000 2.665 365 T HA -0.223 4.127 4.350 0.001 0.000 0.268 365 T C 1.930 176.633 174.700 0.006 0.000 1.035 365 T CA 2.122 64.219 62.100 -0.006 0.000 1.151 365 T CB -0.443 68.410 68.868 -0.026 0.000 0.862 365 T HN 0.287 nan 8.240 nan 0.000 0.438 366 A N 1.403 124.230 122.820 0.012 0.000 1.892 366 A HA -0.220 4.101 4.320 0.001 0.000 0.218 366 A C 2.259 179.854 177.584 0.019 0.000 1.188 366 A CA 2.151 54.198 52.037 0.016 0.000 0.631 366 A CB -0.746 18.264 19.000 0.017 0.000 0.822 366 A HN 0.656 nan 8.150 nan 0.000 0.447 367 E N -0.170 120.042 120.200 0.020 0.000 2.077 367 E HA -0.174 4.177 4.350 0.001 0.000 0.193 367 E C 1.992 178.606 176.600 0.024 0.000 0.989 367 E CA 1.216 57.629 56.400 0.021 0.000 0.800 367 E CB -0.230 29.484 29.700 0.022 0.000 0.746 367 E HN 0.641 nan 8.360 nan 0.000 0.452 368 L N 0.279 121.516 121.223 0.023 0.000 2.046 368 L HA -0.154 4.187 4.340 0.001 0.000 0.208 368 L C 2.992 179.881 176.870 0.033 0.000 1.077 368 L CA 1.121 55.976 54.840 0.025 0.000 0.747 368 L CB -0.458 41.610 42.059 0.015 0.000 0.896 368 L HN 0.123 nan 8.230 nan 0.000 0.432 369 R N 0.389 120.905 120.500 0.027 0.000 2.091 369 R HA -0.216 4.125 4.340 0.001 0.000 0.238 369 R C 2.402 178.727 176.300 0.042 0.000 1.136 369 R CA 1.702 57.823 56.100 0.034 0.000 0.959 369 R CB -0.137 30.180 30.300 0.028 0.000 0.856 369 R HN 0.278 nan 8.270 nan 0.000 0.437 370 K N 0.748 121.168 120.400 0.033 0.000 2.026 370 K HA -0.133 4.188 4.320 0.001 0.000 0.208 370 K C 2.114 178.735 176.600 0.035 0.000 1.048 370 K CA 1.189 57.494 56.287 0.030 0.000 0.929 370 K CB -0.092 32.421 32.500 0.021 0.000 0.713 370 K HN 0.134 nan 8.250 nan 0.000 0.439 371 L N 0.938 122.185 121.223 0.040 0.000 2.046 371 L HA -0.179 4.162 4.340 0.001 0.000 0.208 371 L C 2.723 179.643 176.870 0.083 0.000 1.077 371 L CA 1.685 56.553 54.840 0.047 0.000 0.747 371 L CB -0.524 41.566 42.059 0.052 0.000 0.896 371 L HN 0.408 nan 8.230 nan 0.000 0.432 372 E N 0.580 120.848 120.200 0.113 0.000 2.077 372 E HA -0.256 4.095 4.350 0.001 0.000 0.193 372 E C 2.218 178.930 176.600 0.187 0.000 0.989 372 E CA 1.256 57.777 56.400 0.202 0.000 0.800 372 E CB -0.036 29.741 29.700 0.128 0.000 0.746 372 E HN 0.441 nan 8.360 nan 0.000 0.452 373 A N 0.960 123.840 122.820 0.099 0.000 1.978 373 A HA -0.077 4.244 4.320 0.001 0.000 0.220 373 A C -0.361 177.245 177.584 0.037 0.000 1.170 373 A CA 0.979 53.057 52.037 0.069 0.000 0.636 373 A CB -1.086 17.940 19.000 0.044 0.000 0.810 373 A HN 0.303 nan 8.150 nan 0.000 0.448 374 P HA 0.182 nan 4.420 nan 0.000 0.255 374 P C 0.871 178.109 177.300 -0.104 0.000 1.248 374 P CA 1.185 64.266 63.100 -0.032 0.000 0.807 374 P CB 0.289 31.975 31.700 -0.024 0.000 1.150 375 G N 0.289 109.001 108.800 -0.147 0.000 2.159 375 G HA2 -0.244 3.717 3.960 0.001 0.000 0.256 375 G HA3 -0.244 3.717 3.960 0.001 0.000 0.256 375 G C 0.251 174.779 174.900 -0.620 0.000 0.977 375 G CA -0.043 44.733 45.100 -0.539 0.000 0.652 375 G HN 0.321 nan 8.290 nan 0.000 0.531 376 D N 0.248 120.519 120.400 -0.215 0.000 2.608 376 D HA 0.338 4.979 4.640 0.001 0.000 0.224 376 D C 1.285 177.625 176.300 0.066 0.000 1.123 376 D CA -0.680 53.263 54.000 -0.094 0.000 1.030 376 D CB -0.298 40.488 40.800 -0.023 0.000 1.093 376 D HN 0.310 nan 8.370 nan 0.000 0.497 377 Y N 0.348 120.648 120.300 -0.000 0.000 2.439 377 Y HA -0.088 4.462 4.550 0.001 0.000 0.292 377 Y C 2.447 178.346 175.900 -0.001 0.000 1.130 377 Y CA 0.512 58.611 58.100 -0.001 0.000 1.254 377 Y CB -0.842 37.617 38.460 -0.001 0.000 1.000 377 Y HN 0.211 nan 8.280 nan 0.000 0.554 378 T N 0.192 114.823 114.554 0.129 0.000 2.674 378 T HA -0.191 4.160 4.350 0.001 0.000 0.265 378 T C 2.297 177.033 174.700 0.060 0.000 1.039 378 T CA 1.681 63.825 62.100 0.074 0.000 1.150 378 T CB -0.576 68.314 68.868 0.036 0.000 0.864 378 T HN 0.401 nan 8.240 nan 0.000 0.427 379 A N 1.573 124.424 122.820 0.051 0.000 1.933 379 A HA -0.092 4.229 4.320 0.001 0.000 0.218 379 A C 2.291 179.904 177.584 0.048 0.000 1.175 379 A CA 1.703 53.763 52.037 0.039 0.000 0.628 379 A CB -0.595 18.422 19.000 0.028 0.000 0.814 379 A HN 0.419 nan 8.150 nan 0.000 0.444 380 R N -0.668 119.878 120.500 0.077 0.000 2.080 380 R HA -0.165 4.176 4.340 0.001 0.000 0.236 380 R C 2.099 178.423 176.300 0.040 0.000 1.137 380 R CA 1.936 58.078 56.100 0.069 0.000 0.943 380 R CB -0.552 29.814 30.300 0.110 0.000 0.846 380 R HN 0.422 nan 8.270 nan 0.000 0.431 381 L N 0.964 122.212 121.223 0.042 0.000 2.012 381 L HA -0.138 4.203 4.340 0.001 0.000 0.210 381 L C 2.436 179.316 176.870 0.018 0.000 1.073 381 L CA 2.306 57.159 54.840 0.020 0.000 0.748 381 L CB -0.742 41.330 42.059 0.022 0.000 0.891 381 L HN 0.326 nan 8.230 nan 0.000 0.431 382 A N -0.524 122.310 122.820 0.024 0.000 1.865 382 A HA -0.211 4.109 4.320 0.001 0.000 0.217 382 A C 2.248 179.841 177.584 0.015 0.000 1.191 382 A CA 2.249 54.296 52.037 0.017 0.000 0.623 382 A CB -1.022 17.989 19.000 0.018 0.000 0.826 382 A HN 0.518 nan 8.150 nan 0.000 0.444 383 L N -0.934 120.299 121.223 0.018 0.000 2.156 383 L HA -0.109 4.231 4.340 0.001 0.000 0.208 383 L C 2.569 179.448 176.870 0.015 0.000 1.095 383 L CA 0.643 55.492 54.840 0.016 0.000 0.770 383 L CB -0.546 41.525 42.059 0.019 0.000 0.914 383 L HN 0.365 nan 8.230 nan 0.000 0.439 384 L N -0.397 120.833 121.223 0.011 0.000 2.017 384 L HA -0.205 4.136 4.340 0.001 0.000 0.208 384 L C 2.823 179.694 176.870 0.003 0.000 1.073 384 L CA 1.214 56.054 54.840 0.001 0.000 0.745 384 L CB -0.389 41.664 42.059 -0.009 0.000 0.894 384 L HN 0.271 nan 8.230 nan 0.000 0.432 385 E N -0.186 120.017 120.200 0.004 0.000 2.072 385 E HA -0.186 4.165 4.350 0.001 0.000 0.191 385 E C 2.085 178.695 176.600 0.016 0.000 0.985 385 E CA 0.869 57.273 56.400 0.007 0.000 0.801 385 E CB -0.133 29.571 29.700 0.006 0.000 0.750 385 E HN 0.433 nan 8.360 nan 0.000 0.452 386 E N 0.671 120.880 120.200 0.015 0.000 2.204 386 E HA -0.186 4.164 4.350 0.001 0.000 0.195 386 E C 1.991 178.608 176.600 0.027 0.000 0.990 386 E CA 0.614 57.023 56.400 0.016 0.000 0.821 386 E CB -0.089 29.614 29.700 0.005 0.000 0.750 386 E HN 0.200 nan 8.360 nan 0.000 0.477 387 Q N 1.505 121.326 119.800 0.036 0.000 2.226 387 Q HA -0.122 4.218 4.340 0.001 0.000 0.204 387 Q C 1.589 177.648 176.000 0.098 0.000 0.975 387 Q CA 1.418 57.262 55.803 0.067 0.000 0.866 387 Q CB -0.008 28.763 28.738 0.055 0.000 0.915 387 Q HN 0.142 nan 8.270 nan 0.000 0.440 388 K N -0.479 119.963 120.400 0.070 0.000 2.280 388 K HA -0.053 4.268 4.320 0.001 0.000 0.202 388 K C 1.394 178.097 176.600 0.172 0.000 1.047 388 K CA 1.259 57.604 56.287 0.097 0.000 0.942 388 K CB 0.047 32.579 32.500 0.054 0.000 0.739 388 K HN 0.268 nan 8.250 nan 0.000 0.457 389 S N 0.013 115.784 115.700 0.119 0.000 2.575 389 S HA 0.229 4.700 4.470 0.001 0.000 0.237 389 S C 0.407 175.047 174.600 0.067 0.000 0.975 389 S CA -0.653 57.606 58.200 0.100 0.000 0.960 389 S CB -0.114 63.117 63.200 0.051 0.000 0.822 389 S HN 0.021 nan 8.310 nan 0.000 0.472 390 L N 2.286 123.565 121.223 0.093 0.000 2.439 390 L HA 0.396 4.737 4.340 0.001 0.000 0.261 390 L C -1.977 174.951 176.870 0.095 0.000 1.153 390 L CA -2.229 52.585 54.840 -0.043 0.000 0.808 390 L CB 0.429 42.348 42.059 -0.232 0.000 1.126 390 L HN 0.011 nan 8.230 nan 0.000 0.460 391 P HA -0.009 nan 4.420 nan 0.000 0.218 391 P C 0.624 178.119 177.300 0.324 0.000 1.793 391 P CA -0.250 62.888 63.100 0.063 0.000 0.941 391 P CB -0.357 31.330 31.700 -0.021 0.000 1.919 392 W N 1.217 122.758 121.300 0.401 0.000 2.425 392 W HA -0.137 4.524 4.660 0.001 0.000 0.277 392 W C 0.624 177.314 176.519 0.284 0.000 1.231 392 W CA 0.363 57.920 57.345 0.352 0.000 1.248 392 W CB -1.421 28.175 29.460 0.226 0.000 1.117 392 W HN 0.072 nan 8.180 nan 0.000 0.568 393 Q N 1.875 121.178 119.800 -0.829 0.000 2.096 393 Q HA -0.131 4.210 4.340 0.001 0.000 0.204 393 Q C 2.774 178.743 176.000 -0.051 0.000 0.982 393 Q CA 3.145 58.511 55.803 -0.728 0.000 0.850 393 Q CB -1.050 27.289 28.738 -0.664 0.000 0.901 393 Q HN 0.366 nan 8.270 nan 0.000 0.422 394 A N -0.126 122.719 122.820 0.042 0.000 1.972 394 A HA -0.123 4.198 4.320 0.001 0.000 0.219 394 A C 2.258 180.064 177.584 0.370 0.000 1.169 394 A CA 1.334 53.483 52.037 0.186 0.000 0.635 394 A CB -0.550 18.558 19.000 0.181 0.000 0.810 394 A HN 0.232 nan 8.150 nan 0.000 0.446 395 V N -1.137 119.016 119.914 0.399 0.000 2.323 395 V HA -0.241 3.880 4.120 0.001 0.000 0.244 395 V C 2.235 178.632 176.094 0.505 0.000 1.041 395 V CA 1.590 64.211 62.300 0.535 0.000 1.025 395 V CB -1.018 30.996 31.823 0.319 0.000 0.656 395 V HN 0.886 nan 8.190 nan 0.000 0.451 396 W N 1.684 123.162 121.300 0.296 0.000 2.335 396 W HA -0.131 4.530 4.660 0.001 0.000 0.311 396 W C 1.224 177.896 176.519 0.255 0.000 1.213 396 W CA 1.379 58.900 57.345 0.292 0.000 1.274 396 W CB -0.056 29.605 29.460 0.334 0.000 1.148 396 W HN 0.324 nan 8.180 nan 0.000 0.498 400 C N 1.800 120.861 119.300 -0.398 0.000 2.432 400 C HA -0.145 4.316 4.460 0.001 0.000 0.277 400 C C 2.572 177.395 174.990 -0.277 0.000 1.249 400 C CA 1.913 60.677 59.018 -0.423 0.000 1.725 400 C CB -0.868 26.589 27.740 -0.471 0.000 2.028 400 C HN 0.668 nan 8.230 nan 0.000 0.477 401 Q N 0.978 120.630 119.800 -0.247 0.000 2.084 401 Q HA -0.157 4.184 4.340 0.001 0.000 0.202 401 Q C 2.312 178.170 176.000 -0.237 0.000 0.978 401 Q CA 1.526 57.208 55.803 -0.202 0.000 0.844 401 Q CB -0.302 28.329 28.738 -0.179 0.000 0.898 401 Q HN 0.634 nan 8.270 nan 0.000 0.426 402 R N -0.869 119.445 120.500 -0.310 0.000 2.189 402 R HA -0.060 4.280 4.340 0.001 0.000 0.223 402 R C 1.448 177.474 176.300 -0.457 0.000 1.092 402 R CA 0.701 56.576 56.100 -0.375 0.000 0.989 402 R CB -0.050 29.994 30.300 -0.426 0.000 0.876 402 R HN 0.360 nan 8.270 nan 0.000 0.457 403 H N 0.089 118.935 119.070 -0.374 0.000 2.538 403 H HA 0.005 4.562 4.556 0.001 0.000 0.286 403 H C -0.225 174.957 175.328 -0.243 0.000 1.035 403 H CA 0.099 55.936 56.048 -0.351 0.000 1.169 403 H CB 0.073 29.538 29.762 -0.494 0.000 1.417 403 H HN 0.103 nan 8.280 nan 0.000 0.567 404 D N 1.672 121.987 120.400 -0.143 0.000 2.689 404 D HA -0.152 4.489 4.640 0.001 0.000 0.237 404 D C -0.330 175.928 176.300 -0.071 0.000 1.148 404 D CA 1.256 55.195 54.000 -0.101 0.000 0.656 404 D CB -0.952 39.796 40.800 -0.087 0.000 1.050 404 D HN 0.574 nan 8.370 nan 0.000 0.426 405 T N -2.790 111.714 114.554 -0.082 0.000 2.896 405 T HA 0.764 5.114 4.350 0.001 0.000 0.297 405 T C -2.949 171.732 174.700 -0.031 0.000 1.108 405 T CA -1.818 60.251 62.100 -0.052 0.000 1.004 405 T CB 2.555 71.379 68.868 -0.074 0.000 1.159 405 T HN -0.177 nan 8.240 nan 0.000 0.499 406 P HA 0.322 nan 4.420 nan 0.000 0.268 406 P C 0.491 177.845 177.300 0.090 0.000 1.205 406 P CA -0.318 62.842 63.100 0.100 0.000 0.771 406 P CB 0.404 32.236 31.700 0.221 0.000 0.858 407 A N 2.881 125.732 122.820 0.052 0.000 2.067 407 A HA 0.299 4.620 4.320 0.001 0.000 0.217 407 A C 1.192 178.891 177.584 0.191 0.000 1.156 407 A CA 1.731 53.785 52.037 0.030 0.000 0.683 407 A CB -0.672 18.320 19.000 -0.013 0.000 0.808 407 A HN 0.621 nan 8.150 nan 0.000 0.455 408 G N -1.839 107.093 108.800 0.220 0.000 3.166 408 G HA2 0.373 4.334 3.960 0.001 0.000 0.267 408 G HA3 0.373 4.334 3.960 0.001 0.000 0.267 408 G C 0.815 175.847 174.900 0.220 0.000 1.256 408 G CA 0.635 45.881 45.100 0.244 0.000 0.859 408 G HN 0.513 nan 8.290 nan 0.000 0.590 409 S N -0.531 115.187 115.700 0.029 0.000 2.584 409 S HA -0.080 4.391 4.470 0.001 0.000 0.240 409 S C 1.472 175.870 174.600 -0.336 0.000 0.975 409 S CA 1.846 59.886 58.200 -0.265 0.000 0.949 409 S CB -0.264 62.818 63.200 -0.197 0.000 0.761 409 S HN 0.527 nan 8.310 nan 0.000 0.536 410 E N 1.915 122.050 120.200 -0.109 0.000 2.265 410 E HA -0.096 4.255 4.350 0.001 0.000 0.196 410 E C 1.746 178.332 176.600 -0.023 0.000 0.996 410 E CA 1.139 57.504 56.400 -0.058 0.000 0.832 410 E CB -0.812 28.901 29.700 0.021 0.000 0.756 410 E HN 0.958 nan 8.360 nan 0.000 0.491 411 W N 0.807 122.141 121.300 0.057 0.000 2.364 411 W HA -0.140 4.521 4.660 0.002 0.000 0.281 411 W C 1.355 177.912 176.519 0.063 0.000 1.219 411 W CA 0.272 57.653 57.345 0.059 0.000 1.220 411 W CB -0.865 28.639 29.460 0.072 0.000 1.127 411 W HN 0.139 nan 8.180 nan 0.000 0.556 412 L N 2.183 123.071 121.223 -0.559 0.000 2.127 412 L HA -0.209 4.131 4.340 0.001 0.000 0.211 412 L C 2.613 179.437 176.870 -0.078 0.000 1.089 412 L CA 2.088 56.639 54.840 -0.481 0.000 0.757 412 L CB -0.705 40.934 42.059 -0.700 0.000 0.899 412 L HN -0.178 nan 8.230 nan 0.000 0.434 413 E N -0.777 119.391 120.200 -0.052 0.000 2.110 413 E HA -0.158 4.193 4.350 0.001 0.000 0.193 413 E C 2.310 178.963 176.600 0.089 0.000 0.988 413 E CA 1.323 57.733 56.400 0.018 0.000 0.804 413 E CB -0.390 29.314 29.700 0.007 0.000 0.745 413 E HN 0.485 nan 8.360 nan 0.000 0.458 414 S N 0.419 116.201 115.700 0.137 0.000 2.368 414 S HA -0.091 4.380 4.470 0.001 0.000 0.224 414 S C 2.221 176.944 174.600 0.205 0.000 1.029 414 S CA 0.878 59.177 58.200 0.165 0.000 0.988 414 S CB -0.076 63.232 63.200 0.179 0.000 0.838 414 S HN 0.055 nan 8.310 nan 0.000 0.462 415 V N 1.790 121.852 119.914 0.247 0.000 2.343 415 V HA -0.176 3.945 4.120 0.001 0.000 0.247 415 V C 2.390 178.638 176.094 0.258 0.000 1.051 415 V CA 1.682 64.150 62.300 0.280 0.000 1.036 415 V CB -0.606 31.424 31.823 0.345 0.000 0.654 415 V HN 0.362 nan 8.190 nan 0.000 0.451 416 R N 0.087 120.695 120.500 0.179 0.000 2.096 416 R HA -0.103 4.238 4.340 0.001 0.000 0.235 416 R C 2.437 178.824 176.300 0.144 0.000 1.127 416 R CA 1.457 57.643 56.100 0.142 0.000 0.968 416 R CB -0.585 29.765 30.300 0.083 0.000 0.861 416 R HN 0.545 nan 8.270 nan 0.000 0.440 417 A N 0.212 123.122 122.820 0.150 0.000 1.877 417 A HA -0.215 4.106 4.320 0.001 0.000 0.216 417 A C 1.964 179.659 177.584 0.185 0.000 1.186 417 A CA 1.162 53.283 52.037 0.140 0.000 0.620 417 A CB -0.732 18.347 19.000 0.132 0.000 0.822 417 A HN 0.428 nan 8.150 nan 0.000 0.443 418 Y N 0.472 120.829 120.300 0.095 0.000 2.224 418 Y HA -0.179 4.372 4.550 0.001 0.000 0.289 418 Y C 2.302 178.262 175.900 0.100 0.000 1.146 418 Y CA 2.060 60.220 58.100 0.101 0.000 1.182 418 Y CB -0.236 38.299 38.460 0.125 0.000 0.983 418 Y HN 0.522 nan 8.280 nan 0.000 0.524 419 E N -0.105 120.209 120.200 0.191 0.000 2.051 419 E HA -0.220 4.131 4.350 0.001 0.000 0.192 419 E C 2.098 178.707 176.600 0.015 0.000 0.991 419 E CA 1.450 57.910 56.400 0.101 0.000 0.799 419 E CB -0.001 29.800 29.700 0.168 0.000 0.748 419 E HN 0.453 nan 8.360 nan 0.000 0.449 420 K N 0.261 120.684 120.400 0.038 0.000 2.057 420 K HA -0.185 4.136 4.320 0.001 0.000 0.207 420 K C 2.252 178.841 176.600 -0.018 0.000 1.049 420 K CA 1.422 57.717 56.287 0.014 0.000 0.931 420 K CB -0.083 32.434 32.500 0.029 0.000 0.714 420 K HN 0.169 nan 8.250 nan 0.000 0.440 421 E N 0.208 120.391 120.200 -0.028 0.000 2.076 421 E HA -0.110 4.241 4.350 0.001 0.000 0.190 421 E C 1.647 178.172 176.600 -0.124 0.000 0.979 421 E CA 0.799 57.167 56.400 -0.053 0.000 0.807 421 E CB 0.412 30.103 29.700 -0.015 0.000 0.761 421 E HN 0.130 nan 8.360 nan 0.000 0.454 422 I N 0.154 120.566 120.570 -0.262 0.000 3.673 422 I HA -0.037 4.134 4.170 0.001 0.000 0.281 422 I C 2.311 178.277 176.117 -0.250 0.000 1.182 422 I CA 0.307 61.414 61.300 -0.322 0.000 1.391 422 I CB -0.714 36.921 38.000 -0.609 0.000 1.383 422 I HN 0.137 nan 8.210 nan 0.000 0.456 423 L N 1.385 122.447 121.223 -0.268 0.000 2.131 423 L HA -0.162 4.179 4.340 0.001 0.000 0.210 423 L C 2.637 179.478 176.870 -0.048 0.000 1.092 423 L CA 1.661 56.442 54.840 -0.097 0.000 0.759 423 L CB -0.772 41.300 42.059 0.023 0.000 0.903 423 L HN 0.283 nan 8.230 nan 0.000 0.435 424 S N -0.046 115.622 115.700 -0.053 0.000 2.469 424 S HA -0.149 4.321 4.470 0.001 0.000 0.238 424 S C 1.829 176.407 174.600 -0.037 0.000 0.998 424 S CA 0.696 58.873 58.200 -0.039 0.000 0.957 424 S CB -0.349 62.832 63.200 -0.031 0.000 0.764 424 S HN 0.458 nan 8.310 nan 0.000 0.514 425 R N 0.629 121.104 120.500 -0.042 0.000 2.359 425 R HA 0.306 4.647 4.340 0.001 0.000 0.231 425 R C 0.619 176.907 176.300 -0.021 0.000 0.913 425 R CA -0.176 55.906 56.100 -0.031 0.000 1.075 425 R CB 0.240 30.519 30.300 -0.035 0.000 1.087 425 R HN 0.398 nan 8.270 nan 0.000 0.515 426 R N 0.000 120.491 120.500 -0.015 0.000 2.786 426 R HA 0.000 4.341 4.340 0.001 0.000 0.208 426 R CA 0.000 56.102 56.100 0.003 0.000 0.921 426 R CB 0.000 30.313 30.300 0.022 0.000 0.687 426 R HN 0.000 nan 8.270 nan 0.000 0.535