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 3dkb_1_E DATA FIRST_RESID 4003 DATA SEQUENCE EQVLPQALYL SNMRKAVKIR ERTPEDIFKP TNGIIHHFKT MHRYTLEMFR DATA SEQUENCE TCQFCPQFRE IIHKALIDRN IQATLESQKK LNWCREVRKL VALKTNGDGN DATA SEQUENCE CLMHATSQYM WGVQDTDLVL RKALFSTLKE TDTRNFKFRW QLESLKSQEF DATA SEQUENCE VEXXXXYDTR NWNDEWDNLI KMASTDTPMA RSGLQYNSLE EIHIFVLCNI DATA SEQUENCE LRRPIIVISD KMLRSLESGX XXXPLKVGGI YLPLHWPAQE CYRYPIVLGY DATA SEQUENCE DSHHFVPLVT LKDSGPEIRA VPLVNRDRGR FEDLKVHFLT DPENEMKEKL DATA SEQUENCE LKEYLMVIEI PVQGWDHGTT HLINAAKLDE ANLPKEINLV DDYFELVQHE DATA SEQUENCE YKKWQENSEQ 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 4003 E HA 0.000 nan 4.350 nan 0.000 0.291 4003 E C 0.000 176.632 176.600 0.053 0.000 1.382 4003 E CA 0.000 56.425 56.400 0.042 0.000 0.976 4003 E CB 0.000 29.724 29.700 0.041 0.000 0.812 4004 Q N 1.278 121.125 119.800 0.079 0.000 2.608 4004 Q HA 0.015 4.354 4.340 -0.000 0.000 0.301 4004 Q C -0.685 175.353 176.000 0.064 0.000 1.257 4004 Q CA 0.379 56.243 55.803 0.102 0.000 1.044 4004 Q CB -0.315 28.511 28.738 0.147 0.000 1.232 4004 Q HN 0.446 nan 8.270 nan 0.000 0.448 4005 V N 7.363 127.305 119.914 0.046 0.000 2.242 4005 V HA 0.211 4.330 4.120 -0.000 0.000 0.242 4005 V C -0.548 175.539 176.094 -0.012 0.000 1.240 4005 V CA -0.013 62.297 62.300 0.018 0.000 1.211 4005 V CB -0.486 31.343 31.823 0.011 0.000 1.338 4005 V HN 0.716 nan 8.190 nan 0.000 0.499 4006 L N 9.187 130.400 121.223 -0.018 0.000 2.353 4006 L HA 0.509 4.848 4.340 -0.000 0.000 0.270 4006 L C -1.888 174.982 176.870 -0.001 0.000 1.003 4006 L CA -1.815 52.978 54.840 -0.079 0.000 0.862 4006 L CB 2.186 44.203 42.059 -0.069 0.000 1.221 4006 L HN 0.442 nan 8.230 nan 0.000 0.430 4007 P HA -0.175 nan 4.420 nan 0.000 0.265 4007 P C -0.056 177.364 177.300 0.198 0.000 1.167 4007 P CA 0.191 63.342 63.100 0.085 0.000 0.760 4007 P CB 0.969 32.712 31.700 0.072 0.000 0.783 4008 Q N 1.282 121.132 119.800 0.082 0.000 2.378 4008 Q HA 0.134 4.473 4.340 -0.000 0.000 0.205 4008 Q C 0.357 176.376 176.000 0.032 0.000 0.954 4008 Q CA 0.886 56.725 55.803 0.060 0.000 0.901 4008 Q CB -0.021 28.732 28.738 0.026 0.000 0.981 4008 Q HN 0.658 nan 8.270 nan 0.000 0.483 4009 A N -1.336 121.491 122.820 0.012 0.000 2.515 4009 A HA 0.432 4.752 4.320 -0.000 0.000 0.296 4009 A C -0.005 177.559 177.584 -0.033 0.000 1.094 4009 A CA -0.650 51.364 52.037 -0.038 0.000 0.718 4009 A CB 0.741 19.715 19.000 -0.043 0.000 1.307 4009 A HN 0.239 nan 8.150 nan 0.000 0.408 4010 L N 0.198 121.374 121.223 -0.077 0.000 2.131 4010 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 4010 L C 2.329 179.297 176.870 0.162 0.000 1.092 4010 L CA 2.045 56.870 54.840 -0.025 0.000 0.759 4010 L CB -0.536 41.496 42.059 -0.045 0.000 0.903 4010 L HN 1.018 nan 8.230 nan 0.000 0.435 4011 Y N -0.829 119.526 120.300 0.092 0.000 2.509 4011 Y HA -0.041 4.509 4.550 -0.000 0.000 0.293 4011 Y C 1.953 177.913 175.900 0.101 0.000 1.133 4011 Y CA 0.657 58.809 58.100 0.088 0.000 1.283 4011 Y CB -0.630 37.865 38.460 0.058 0.000 1.001 4011 Y HN 0.022 nan 8.280 nan 0.000 0.555 4012 L N 0.604 121.551 121.223 -0.460 0.000 2.395 4012 L HA -0.095 4.245 4.340 -0.000 0.000 0.218 4012 L C 2.452 179.282 176.870 -0.067 0.000 1.130 4012 L CA 1.134 55.758 54.840 -0.361 0.000 0.826 4012 L CB -0.606 41.239 42.059 -0.356 0.000 0.941 4012 L HN 0.462 nan 8.230 nan 0.000 0.451 4013 S N -1.037 114.693 115.700 0.050 0.000 2.507 4013 S HA -0.101 4.368 4.470 -0.000 0.000 0.235 4013 S C 0.910 175.533 174.600 0.039 0.000 0.988 4013 S CA 0.541 58.764 58.200 0.039 0.000 0.944 4013 S CB -0.168 63.110 63.200 0.130 0.000 0.762 4013 S HN 0.467 nan 8.310 nan 0.000 0.526 4014 N N -0.196 118.546 118.700 0.069 0.000 3.111 4014 N HA 0.243 4.982 4.740 -0.000 0.000 0.200 4014 N C 0.117 175.694 175.510 0.113 0.000 1.464 4014 N CA -0.063 53.029 53.050 0.070 0.000 0.758 4014 N CB 0.058 38.586 38.487 0.068 0.000 1.548 4014 N HN 0.205 nan 8.380 nan 0.000 0.595 4015 M N -0.173 119.498 119.600 0.118 0.000 2.279 4015 M HA -0.146 4.333 4.480 -0.000 0.000 0.264 4015 M C 1.967 178.337 176.300 0.118 0.000 1.062 4015 M CA 1.279 56.690 55.300 0.186 0.000 1.099 4015 M CB 0.011 32.710 32.600 0.166 0.000 1.394 4015 M HN 0.255 nan 8.290 nan 0.000 0.426 4016 R N 1.437 121.979 120.500 0.071 0.000 2.070 4016 R HA -0.127 4.213 4.340 -0.000 0.000 0.233 4016 R C 1.976 178.295 176.300 0.032 0.000 1.137 4016 R CA 1.878 58.002 56.100 0.041 0.000 0.945 4016 R CB -0.504 29.811 30.300 0.025 0.000 0.845 4016 R HN 0.299 nan 8.270 nan 0.000 0.430 4017 K N -0.435 119.988 120.400 0.038 0.000 2.103 4017 K HA -0.097 4.223 4.320 -0.000 0.000 0.207 4017 K C 1.860 178.472 176.600 0.019 0.000 1.048 4017 K CA 1.491 57.791 56.287 0.021 0.000 0.930 4017 K CB -0.296 32.221 32.500 0.029 0.000 0.716 4017 K HN 0.264 nan 8.250 nan 0.000 0.444 4018 A N 0.654 123.513 122.820 0.065 0.000 1.940 4018 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 4018 A C 2.218 179.790 177.584 -0.021 0.000 1.176 4018 A CA 1.696 53.762 52.037 0.047 0.000 0.631 4018 A CB -0.626 18.460 19.000 0.143 0.000 0.814 4018 A HN 0.196 nan 8.150 nan 0.000 0.446 4019 V N 0.007 119.918 119.914 -0.005 0.000 2.427 4019 V HA -0.245 3.874 4.120 -0.000 0.000 0.248 4019 V C 2.513 178.581 176.094 -0.043 0.000 1.051 4019 V CA 2.318 64.603 62.300 -0.025 0.000 1.048 4019 V CB -0.567 31.254 31.823 -0.005 0.000 0.666 4019 V HN 0.693 nan 8.190 nan 0.000 0.456 4020 K N 0.135 120.511 120.400 -0.041 0.000 2.026 4020 K HA -0.171 4.149 4.320 -0.000 0.000 0.208 4020 K C 2.052 178.592 176.600 -0.100 0.000 1.048 4020 K CA 1.846 58.097 56.287 -0.060 0.000 0.929 4020 K CB -0.232 32.237 32.500 -0.051 0.000 0.713 4020 K HN 0.433 nan 8.250 nan 0.000 0.439 4021 I N 0.810 121.309 120.570 -0.118 0.000 2.142 4021 I HA -0.261 3.908 4.170 -0.000 0.000 0.240 4021 I C 2.219 178.207 176.117 -0.216 0.000 1.078 4021 I CA 1.255 62.435 61.300 -0.199 0.000 1.343 4021 I CB -0.294 37.603 38.000 -0.173 0.000 1.046 4021 I HN 0.124 nan 8.210 nan 0.000 0.405 4022 R N 0.472 120.892 120.500 -0.133 0.000 2.328 4022 R HA -0.132 4.208 4.340 -0.000 0.000 0.207 4022 R C 1.836 178.084 176.300 -0.087 0.000 1.056 4022 R CA 0.742 56.782 56.100 -0.101 0.000 1.016 4022 R CB -0.192 30.067 30.300 -0.068 0.000 0.872 4022 R HN 0.514 nan 8.270 nan 0.000 0.471 4023 E N 0.724 120.867 120.200 -0.094 0.000 2.127 4023 E HA -0.017 4.332 4.350 -0.000 0.000 0.191 4023 E C 1.785 178.334 176.600 -0.085 0.000 0.964 4023 E CA 0.198 56.555 56.400 -0.072 0.000 0.832 4023 E CB 0.345 30.009 29.700 -0.060 0.000 0.790 4023 E HN 0.185 nan 8.360 nan 0.000 0.465 4024 R N -0.026 120.400 120.500 -0.124 0.000 2.115 4024 R HA -0.034 4.305 4.340 -0.000 0.000 0.226 4024 R C 2.266 178.487 176.300 -0.132 0.000 1.100 4024 R CA 1.446 57.470 56.100 -0.127 0.000 0.980 4024 R CB -0.296 29.908 30.300 -0.160 0.000 0.875 4024 R HN 0.125 nan 8.270 nan 0.000 0.445 4025 T N 2.101 116.533 114.554 -0.204 0.000 2.570 4025 T HA -0.144 4.205 4.350 -0.000 0.000 0.266 4025 T C -0.921 173.823 174.700 0.073 0.000 1.071 4025 T CA 1.893 63.902 62.100 -0.152 0.000 1.172 4025 T CB -1.112 67.647 68.868 -0.181 0.000 0.864 4025 T HN 0.280 nan 8.240 nan 0.000 0.421 4026 P HA -0.048 nan 4.420 nan 0.000 0.220 4026 P C 1.086 178.360 177.300 -0.044 0.000 1.148 4026 P CA 1.101 64.205 63.100 0.007 0.000 0.803 4026 P CB 0.001 31.699 31.700 -0.003 0.000 0.782 4027 E N 0.039 120.214 120.200 -0.043 0.000 2.347 4027 E HA -0.122 4.228 4.350 -0.000 0.000 0.196 4027 E C 1.280 177.843 176.600 -0.061 0.000 1.008 4027 E CA 0.804 57.167 56.400 -0.061 0.000 0.852 4027 E CB -0.701 28.966 29.700 -0.055 0.000 0.783 4027 E HN 0.364 nan 8.360 nan 0.000 0.505 4028 D N -0.155 120.235 120.400 -0.017 0.000 2.339 4028 D HA 0.067 4.707 4.640 -0.000 0.000 0.217 4028 D C 0.087 176.355 176.300 -0.054 0.000 1.050 4028 D CA 0.004 54.026 54.000 0.036 0.000 0.856 4028 D CB 0.298 41.209 40.800 0.185 0.000 0.922 4028 D HN 0.008 nan 8.370 nan 0.000 0.518 4029 I N 1.460 121.905 120.570 -0.208 0.000 2.352 4029 I HA 0.104 4.274 4.170 -0.000 0.000 0.290 4029 I C -0.323 175.667 176.117 -0.210 0.000 1.036 4029 I CA -0.696 60.366 61.300 -0.397 0.000 1.336 4029 I CB 0.683 38.420 38.000 -0.437 0.000 1.407 4029 I HN -0.059 nan 8.210 nan 0.000 0.497 4030 F N 7.640 127.356 119.950 -0.388 0.000 2.404 4030 F HA 0.226 4.753 4.527 -0.000 0.000 0.358 4030 F C 0.677 176.344 175.800 -0.222 0.000 1.120 4030 F CA -0.821 56.988 58.000 -0.318 0.000 1.144 4030 F CB 0.524 39.208 39.000 -0.527 0.000 1.133 4030 F HN 0.345 nan 8.300 nan 0.000 0.495 4031 K N 8.390 128.918 120.400 0.214 0.000 2.805 4031 K HA 0.272 4.592 4.320 -0.000 0.000 0.227 4031 K C -2.461 174.271 176.600 0.220 0.000 1.207 4031 K CA -1.843 54.454 56.287 0.017 0.000 1.153 4031 K CB 0.065 32.381 32.500 -0.307 0.000 1.688 4031 K HN 0.305 nan 8.250 nan 0.000 0.467 4032 P HA -0.043 nan 4.420 nan 0.000 0.261 4032 P C 0.264 177.707 177.300 0.238 0.000 1.203 4032 P CA 0.349 63.621 63.100 0.287 0.000 0.767 4032 P CB 0.850 32.612 31.700 0.103 0.000 0.785 4033 T N -0.430 114.226 114.554 0.170 0.000 3.272 4033 T HA -0.027 4.323 4.350 -0.000 0.000 0.250 4033 T C 1.174 175.928 174.700 0.090 0.000 1.082 4033 T CA 0.093 62.273 62.100 0.135 0.000 0.968 4033 T CB -0.738 68.183 68.868 0.088 0.000 1.015 4033 T HN 0.339 nan 8.240 nan 0.000 0.563 4034 N N 1.778 120.526 118.700 0.080 0.000 2.124 4034 N HA 0.231 4.970 4.740 -0.000 0.000 0.189 4034 N C 1.642 177.155 175.510 0.004 0.000 1.050 4034 N CA 1.711 54.782 53.050 0.035 0.000 0.848 4034 N CB -0.539 37.963 38.487 0.025 0.000 1.027 4034 N HN 0.378 nan 8.380 nan 0.000 0.435 4035 G N -1.016 107.772 108.800 -0.020 0.000 4.109 4035 G HA2 0.129 4.089 3.960 -0.000 0.000 0.191 4035 G HA3 0.129 4.089 3.960 -0.000 0.000 0.191 4035 G C -0.219 174.617 174.900 -0.107 0.000 1.163 4035 G CA 0.056 45.120 45.100 -0.060 0.000 0.953 4035 G HN 0.348 nan 8.290 nan 0.000 0.502 4036 I N 3.404 123.886 120.570 -0.147 0.000 2.938 4036 I HA 0.396 4.565 4.170 -0.000 0.000 0.285 4036 I C 1.077 177.100 176.117 -0.157 0.000 1.182 4036 I CA -1.501 59.656 61.300 -0.240 0.000 1.388 4036 I CB 0.633 38.400 38.000 -0.389 0.000 1.390 4036 I HN 0.391 nan 8.210 nan 0.000 0.600 4037 I N 4.156 124.618 120.570 -0.180 0.000 2.993 4037 I HA 0.145 4.315 4.170 -0.000 0.000 0.286 4037 I C -0.174 176.011 176.117 0.113 0.000 1.215 4037 I CA -0.390 60.838 61.300 -0.120 0.000 1.393 4037 I CB 0.197 38.219 38.000 0.037 0.000 1.371 4037 I HN 0.425 nan 8.210 nan 0.000 0.602 4038 H N 4.435 123.632 119.070 0.211 0.000 2.732 4038 H HA 0.387 4.943 4.556 -0.000 0.000 0.351 4038 H C -0.136 175.359 175.328 0.279 0.000 1.090 4038 H CA 0.060 56.220 56.048 0.187 0.000 1.431 4038 H CB 0.174 29.973 29.762 0.060 0.000 1.447 4038 H HN 0.740 nan 8.280 nan 0.000 0.582 4039 H N 0.044 119.235 119.070 0.202 0.000 3.017 4039 H HA 0.289 4.845 4.556 -0.000 0.000 0.346 4039 H C -1.253 174.054 175.328 -0.036 0.000 1.286 4039 H CA -0.930 55.193 56.048 0.124 0.000 1.120 4039 H CB 0.305 30.213 29.762 0.242 0.000 1.860 4039 H HN 0.250 nan 8.280 nan 0.000 0.542 4040 F N 0.986 120.998 119.950 0.104 0.000 2.382 4040 F HA 0.264 4.791 4.527 -0.000 0.000 0.331 4040 F C 1.740 177.640 175.800 0.167 0.000 1.121 4040 F CA -0.325 57.761 58.000 0.142 0.000 1.183 4040 F CB 1.129 40.302 39.000 0.288 0.000 1.207 4040 F HN 0.525 nan 8.300 nan 0.000 0.555 4041 K N -0.248 120.359 120.400 0.345 0.000 2.202 4041 K HA 0.019 4.339 4.320 -0.000 0.000 0.201 4041 K C 1.357 178.159 176.600 0.337 0.000 1.051 4041 K CA 1.376 57.845 56.287 0.304 0.000 0.977 4041 K CB 0.177 32.787 32.500 0.183 0.000 0.792 4041 K HN 0.828 nan 8.250 nan 0.000 0.469 4042 T N -3.880 110.852 114.554 0.297 0.000 3.151 4042 T HA 0.168 4.518 4.350 -0.000 0.000 0.257 4042 T C 1.526 176.114 174.700 -0.186 0.000 0.872 4042 T CA -0.362 61.741 62.100 0.005 0.000 0.873 4042 T CB -0.188 68.654 68.868 -0.043 0.000 1.272 4042 T HN -0.130 nan 8.240 nan 0.000 0.543 4043 M N 1.857 121.532 119.600 0.124 0.000 2.460 4043 M HA 0.043 4.522 4.480 -0.000 0.000 0.263 4043 M C 1.956 178.441 176.300 0.308 0.000 1.071 4043 M CA 1.794 57.247 55.300 0.256 0.000 1.096 4043 M CB -0.561 32.174 32.600 0.226 0.000 1.408 4043 M HN 0.659 nan 8.290 nan 0.000 0.463 4044 H N -0.886 118.239 119.070 0.092 0.000 2.545 4044 H HA 0.009 4.564 4.556 -0.000 0.000 0.282 4044 H C 1.528 176.644 175.328 -0.353 0.000 1.020 4044 H CA 0.846 56.815 56.048 -0.131 0.000 1.243 4044 H CB -0.344 29.367 29.762 -0.085 0.000 1.377 4044 H HN 0.291 nan 8.280 nan 0.000 0.581 4045 R N -0.231 119.637 120.500 -1.053 0.000 2.310 4045 R HA 0.116 4.456 4.340 -0.000 0.000 0.202 4045 R C -0.490 175.330 176.300 -0.800 0.000 0.933 4045 R CA -0.180 55.103 56.100 -1.363 0.000 1.054 4045 R CB 0.134 29.752 30.300 -1.136 0.000 0.985 4045 R HN 0.365 nan 8.270 nan 0.000 0.489 4046 Y N 0.048 120.179 120.300 -0.281 0.000 2.301 4046 Y HA 0.169 4.719 4.550 -0.000 0.000 0.325 4046 Y C 0.595 176.450 175.900 -0.075 0.000 1.203 4046 Y CA 0.022 58.077 58.100 -0.076 0.000 1.255 4046 Y CB 1.692 40.241 38.460 0.148 0.000 1.232 4046 Y HN -0.190 nan 8.280 nan 0.000 0.501 4047 T N 4.277 118.934 114.554 0.172 0.000 2.993 4047 T HA 0.460 4.809 4.350 -0.000 0.000 0.312 4047 T C -1.416 173.253 174.700 -0.053 0.000 1.115 4047 T CA -0.757 61.359 62.100 0.027 0.000 1.027 4047 T CB 1.044 69.942 68.868 0.049 0.000 1.116 4047 T HN 0.513 nan 8.240 nan 0.000 0.464 4048 L N 0.742 121.849 121.223 -0.193 0.000 2.319 4048 L HA 0.952 5.292 4.340 -0.000 0.000 0.267 4048 L C -0.586 176.129 176.870 -0.259 0.000 1.011 4048 L CA -0.471 54.260 54.840 -0.181 0.000 0.818 4048 L CB 1.728 43.697 42.059 -0.151 0.000 1.316 4048 L HN 0.506 nan 8.230 nan 0.000 0.432 4049 E N 2.194 122.282 120.200 -0.186 0.000 2.314 4049 E HA 0.424 4.773 4.350 -0.000 0.000 0.272 4049 E C -1.171 175.324 176.600 -0.176 0.000 0.884 4049 E CA -1.128 55.157 56.400 -0.193 0.000 0.753 4049 E CB 2.192 31.802 29.700 -0.150 0.000 1.213 4049 E HN 0.536 nan 8.360 nan 0.000 0.432 4050 M N 2.223 121.687 119.600 -0.226 0.000 2.240 4050 M HA 0.244 4.723 4.480 -0.000 0.000 0.333 4050 M C -0.325 175.809 176.300 -0.276 0.000 1.110 4050 M CA -0.375 54.732 55.300 -0.321 0.000 1.173 4050 M CB -0.152 32.203 32.600 -0.409 0.000 1.458 4050 M HN 0.449 nan 8.290 nan 0.000 0.458 4051 F N 0.550 120.410 119.950 -0.149 0.000 2.380 4051 F HA 0.605 5.132 4.527 -0.000 0.000 0.325 4051 F C 0.265 175.968 175.800 -0.161 0.000 1.136 4051 F CA -1.353 56.505 58.000 -0.238 0.000 1.171 4051 F CB 0.091 38.874 39.000 -0.363 0.000 1.230 4051 F HN 0.521 nan 8.300 nan 0.000 0.554 4052 R N 0.868 121.399 120.500 0.051 0.000 2.316 4052 R HA 0.248 4.587 4.340 -0.000 0.000 0.314 4052 R C 0.581 176.935 176.300 0.089 0.000 1.069 4052 R CA 0.559 56.668 56.100 0.015 0.000 0.959 4052 R CB 0.348 30.622 30.300 -0.044 0.000 0.987 4052 R HN 0.952 nan 8.270 nan 0.000 0.446 4053 T N -0.537 114.051 114.554 0.056 0.000 3.040 4053 T HA 0.034 4.384 4.350 -0.000 0.000 0.250 4053 T C 1.175 175.823 174.700 -0.087 0.000 1.058 4053 T CA -0.007 62.060 62.100 -0.055 0.000 0.988 4053 T CB -0.230 68.602 68.868 -0.060 0.000 0.993 4053 T HN 0.559 nan 8.240 nan 0.000 0.519 4054 C N 2.900 122.191 119.300 -0.016 0.000 2.526 4054 C HA 0.136 4.596 4.460 -0.000 0.000 0.286 4054 C C 2.121 177.120 174.990 0.016 0.000 1.416 4054 C CA 0.281 59.309 59.018 0.016 0.000 1.671 4054 C CB -2.070 25.688 27.740 0.029 0.000 1.650 4054 C HN 0.786 nan 8.230 nan 0.000 0.590 4055 Q N -1.580 118.196 119.800 -0.040 0.000 2.194 4055 Q HA 0.330 4.670 4.340 -0.000 0.000 0.214 4055 Q C 0.080 176.193 176.000 0.189 0.000 0.838 4055 Q CA 0.038 55.854 55.803 0.021 0.000 0.972 4055 Q CB 0.203 28.928 28.738 -0.021 0.000 1.131 4055 Q HN 0.580 nan 8.270 nan 0.000 0.498 4056 F N 0.979 120.886 119.950 -0.072 0.000 2.556 4056 F HA 0.429 4.955 4.527 -0.000 0.000 0.327 4056 F C 0.793 176.587 175.800 -0.010 0.000 1.059 4056 F CA -1.835 56.067 58.000 -0.164 0.000 0.953 4056 F CB 1.390 40.267 39.000 -0.205 0.000 1.227 4056 F HN 0.139 nan 8.300 nan 0.000 0.478 4057 C N 3.091 122.540 119.300 0.249 0.000 2.665 4057 C HA 0.081 4.541 4.460 -0.000 0.000 0.416 4057 C C -1.405 173.698 174.990 0.188 0.000 1.305 4057 C CA -1.016 58.141 59.018 0.231 0.000 1.903 4057 C CB 0.639 28.555 27.740 0.293 0.000 2.704 4057 C HN 0.620 nan 8.230 nan 0.000 0.629 4058 P HA -0.168 nan 4.420 nan 0.000 0.213 4058 P C 1.687 179.053 177.300 0.110 0.000 1.170 4058 P CA 2.149 65.318 63.100 0.116 0.000 0.902 4058 P CB -0.137 31.632 31.700 0.115 0.000 0.789 4059 Q N -2.010 117.898 119.800 0.180 0.000 2.152 4059 Q HA -0.209 4.131 4.340 -0.000 0.000 0.206 4059 Q C 2.106 178.148 176.000 0.070 0.000 0.985 4059 Q CA 1.432 57.367 55.803 0.219 0.000 0.863 4059 Q CB -0.654 28.362 28.738 0.463 0.000 0.904 4059 Q HN 0.318 nan 8.270 nan 0.000 0.422 4060 F N 0.442 120.209 119.950 -0.306 0.000 2.219 4060 F HA -0.045 4.482 4.527 -0.000 0.000 0.294 4060 F C 2.605 178.225 175.800 -0.299 0.000 1.086 4060 F CA 0.351 57.975 58.000 -0.626 0.000 1.330 4060 F CB 0.188 38.680 39.000 -0.847 0.000 1.047 4060 F HN -0.115 nan 8.300 nan 0.000 0.495 4061 R N 0.638 121.078 120.500 -0.099 0.000 2.119 4061 R HA -0.247 4.092 4.340 -0.000 0.000 0.246 4061 R C 2.258 178.306 176.300 -0.420 0.000 1.146 4061 R CA 1.988 57.938 56.100 -0.250 0.000 0.962 4061 R CB -0.469 29.753 30.300 -0.130 0.000 0.863 4061 R HN 0.266 nan 8.270 nan 0.000 0.442 4062 E N 0.558 120.637 120.200 -0.202 0.000 2.150 4062 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 4062 E C 1.986 178.515 176.600 -0.118 0.000 0.985 4062 E CA 0.979 57.318 56.400 -0.102 0.000 0.814 4062 E CB -0.042 29.660 29.700 0.003 0.000 0.752 4062 E HN 0.453 nan 8.360 nan 0.000 0.466 4063 I N 0.707 121.149 120.570 -0.212 0.000 2.208 4063 I HA -0.308 3.861 4.170 -0.000 0.000 0.245 4063 I C 2.424 178.422 176.117 -0.198 0.000 1.097 4063 I CA 0.952 62.121 61.300 -0.217 0.000 1.363 4063 I CB -0.265 37.501 38.000 -0.389 0.000 1.051 4063 I HN 0.108 nan 8.210 nan 0.000 0.413 4064 I N 0.041 120.434 120.570 -0.295 0.000 2.133 4064 I HA -0.316 3.854 4.170 -0.000 0.000 0.238 4064 I C 2.499 178.629 176.117 0.022 0.000 1.074 4064 I CA 1.662 62.893 61.300 -0.115 0.000 1.342 4064 I CB -0.808 37.129 38.000 -0.106 0.000 1.053 4064 I HN 0.240 nan 8.210 nan 0.000 0.404 4065 H N 0.431 119.464 119.070 -0.062 0.000 2.387 4065 H HA -0.182 4.373 4.556 -0.000 0.000 0.299 4065 H C 2.146 177.449 175.328 -0.041 0.000 1.099 4065 H CA 0.835 56.846 56.048 -0.062 0.000 1.315 4065 H CB 0.044 29.774 29.762 -0.053 0.000 1.380 4065 H HN 0.090 nan 8.280 nan 0.000 0.513 4066 K N 1.212 121.667 120.400 0.092 0.000 2.147 4066 K HA -0.063 4.257 4.320 -0.000 0.000 0.205 4066 K C 2.172 178.798 176.600 0.042 0.000 1.049 4066 K CA 1.109 57.428 56.287 0.053 0.000 0.936 4066 K CB -0.210 32.312 32.500 0.037 0.000 0.722 4066 K HN 0.286 nan 8.250 nan 0.000 0.446 4067 A N 0.692 123.540 122.820 0.047 0.000 1.840 4067 A HA -0.031 4.288 4.320 -0.000 0.000 0.214 4067 A C 2.324 179.933 177.584 0.040 0.000 1.198 4067 A CA 1.022 53.095 52.037 0.060 0.000 0.608 4067 A CB -0.489 18.578 19.000 0.111 0.000 0.839 4067 A HN 0.248 nan 8.150 nan 0.000 0.443 4068 L N -0.607 120.623 121.223 0.011 0.000 2.249 4068 L HA 0.190 4.530 4.340 -0.000 0.000 0.207 4068 L C 0.297 177.130 176.870 -0.062 0.000 1.090 4068 L CA 0.149 54.947 54.840 -0.070 0.000 0.802 4068 L CB -0.217 41.725 42.059 -0.194 0.000 0.947 4068 L HN 0.244 nan 8.230 nan 0.000 0.453 4069 I N 0.032 120.575 120.570 -0.045 0.000 2.440 4069 I HA 0.032 4.201 4.170 -0.000 0.000 0.294 4069 I C 0.199 176.305 176.117 -0.019 0.000 0.995 4069 I CA -0.249 61.018 61.300 -0.055 0.000 1.306 4069 I CB 1.036 38.972 38.000 -0.107 0.000 1.407 4069 I HN -0.076 nan 8.210 nan 0.000 0.501 4070 D N 6.198 126.594 120.400 -0.007 0.000 2.470 4070 D HA 0.086 4.725 4.640 -0.000 0.000 0.226 4070 D C 1.161 177.463 176.300 0.004 0.000 1.196 4070 D CA -0.002 54.011 54.000 0.022 0.000 0.979 4070 D CB 0.505 41.342 40.800 0.062 0.000 1.059 4070 D HN 0.435 nan 8.370 nan 0.000 0.515 4071 R N 2.062 122.561 120.500 -0.001 0.000 2.152 4071 R HA -0.097 4.243 4.340 -0.000 0.000 0.232 4071 R C 1.464 177.764 176.300 0.001 0.000 1.117 4071 R CA 0.681 56.777 56.100 -0.007 0.000 0.981 4071 R CB 0.105 30.405 30.300 -0.000 0.000 0.870 4071 R HN 0.388 nan 8.270 nan 0.000 0.451 4072 N N 1.071 119.776 118.700 0.008 0.000 2.080 4072 N HA -0.131 4.609 4.740 -0.000 0.000 0.189 4072 N C 1.790 177.307 175.510 0.012 0.000 1.036 4072 N CA 1.260 54.315 53.050 0.009 0.000 0.846 4072 N CB -0.214 38.276 38.487 0.006 0.000 1.015 4072 N HN 0.091 nan 8.380 nan 0.000 0.423 4073 I N 1.671 122.254 120.570 0.022 0.000 2.315 4073 I HA -0.162 4.007 4.170 -0.000 0.000 0.248 4073 I C 2.540 178.665 176.117 0.014 0.000 1.117 4073 I CA 0.888 62.200 61.300 0.021 0.000 1.404 4073 I CB -0.416 37.606 38.000 0.037 0.000 1.071 4073 I HN 0.069 nan 8.210 nan 0.000 0.419 4074 Q N 0.534 120.338 119.800 0.006 0.000 2.002 4074 Q HA -0.204 4.136 4.340 -0.000 0.000 0.204 4074 Q C 2.476 178.478 176.000 0.003 0.000 0.988 4074 Q CA 2.249 58.049 55.803 -0.005 0.000 0.843 4074 Q CB -0.605 28.114 28.738 -0.032 0.000 0.908 4074 Q HN 0.545 nan 8.270 nan 0.000 0.420 4075 A N -0.000 122.821 122.820 0.002 0.000 1.883 4075 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 4075 A C 2.374 179.968 177.584 0.017 0.000 1.186 4075 A CA 2.281 54.323 52.037 0.009 0.000 0.624 4075 A CB -1.061 17.944 19.000 0.008 0.000 0.822 4075 A HN 0.460 nan 8.150 nan 0.000 0.444 4076 T N 0.631 115.194 114.554 0.015 0.000 2.652 4076 T HA -0.135 4.214 4.350 -0.000 0.000 0.267 4076 T C 1.811 176.528 174.700 0.028 0.000 1.039 4076 T CA 1.652 63.763 62.100 0.018 0.000 1.153 4076 T CB -0.454 68.420 68.868 0.010 0.000 0.863 4076 T HN 0.374 nan 8.240 nan 0.000 0.428 4077 L N 0.484 121.727 121.223 0.033 0.000 2.141 4077 L HA -0.057 4.283 4.340 -0.000 0.000 0.209 4077 L C 2.696 179.605 176.870 0.066 0.000 1.094 4077 L CA 1.326 56.197 54.840 0.052 0.000 0.763 4077 L CB -0.536 41.558 42.059 0.059 0.000 0.908 4077 L HN 0.352 nan 8.230 nan 0.000 0.437 4078 E N -0.356 119.877 120.200 0.055 0.000 2.112 4078 E HA -0.105 4.244 4.350 -0.000 0.000 0.190 4078 E C 2.323 178.961 176.600 0.064 0.000 0.979 4078 E CA 0.983 57.423 56.400 0.067 0.000 0.814 4078 E CB 0.102 29.828 29.700 0.043 0.000 0.762 4078 E HN 0.339 nan 8.360 nan 0.000 0.460 4079 S N 1.517 117.244 115.700 0.044 0.000 2.400 4079 S HA -0.180 4.289 4.470 -0.000 0.000 0.232 4079 S C 1.651 176.274 174.600 0.037 0.000 1.025 4079 S CA 1.184 59.407 58.200 0.037 0.000 0.993 4079 S CB -0.177 63.039 63.200 0.027 0.000 0.808 4079 S HN 0.377 nan 8.310 nan 0.000 0.478 4080 Q N 0.560 120.383 119.800 0.038 0.000 2.212 4080 Q HA 0.270 4.609 4.340 -0.000 0.000 0.213 4080 Q C -0.481 175.536 176.000 0.027 0.000 0.874 4080 Q CA -0.235 55.584 55.803 0.028 0.000 0.965 4080 Q CB -0.144 28.608 28.738 0.023 0.000 1.074 4080 Q HN 0.073 nan 8.270 nan 0.000 0.473 4081 K N 0.480 120.915 120.400 0.059 0.000 2.975 4081 K HA -0.222 4.098 4.320 -0.000 0.000 0.257 4081 K C 0.395 177.036 176.600 0.069 0.000 1.005 4081 K CA 1.045 57.388 56.287 0.093 0.000 0.738 4081 K CB -1.070 31.454 32.500 0.040 0.000 1.236 4081 K HN 0.254 nan 8.250 nan 0.000 0.483 4082 K N 0.303 120.762 120.400 0.099 0.000 2.356 4082 K HA 0.158 4.478 4.320 -0.000 0.000 0.195 4082 K C 0.382 177.134 176.600 0.253 0.000 1.037 4082 K CA 0.207 56.558 56.287 0.108 0.000 1.014 4082 K CB 0.328 32.873 32.500 0.074 0.000 0.815 4082 K HN 0.248 nan 8.250 nan 0.000 0.507 4083 L N 0.031 121.411 121.223 0.261 0.000 2.401 4083 L HA 0.411 4.751 4.340 -0.000 0.000 0.266 4083 L C -0.945 176.035 176.870 0.183 0.000 0.991 4083 L CA -0.124 54.845 54.840 0.215 0.000 0.818 4083 L CB 1.713 43.840 42.059 0.113 0.000 1.321 4083 L HN 0.173 nan 8.230 nan 0.000 0.413 4084 N N 3.331 122.064 118.700 0.055 0.000 2.678 4084 N HA -0.249 4.491 4.740 -0.000 0.000 0.249 4084 N C 0.720 176.206 175.510 -0.041 0.000 1.119 4084 N CA 1.498 54.511 53.050 -0.061 0.000 0.718 4084 N CB -0.509 37.957 38.487 -0.035 0.000 1.060 4084 N HN 0.946 nan 8.380 nan 0.000 0.552 4085 W N -1.442 119.858 121.300 -0.001 0.000 2.418 4085 W HA 0.146 4.806 4.660 -0.000 0.000 0.292 4085 W C 1.031 177.547 176.519 -0.004 0.000 1.213 4085 W CA -0.007 57.341 57.345 0.004 0.000 1.283 4085 W CB -1.035 28.439 29.460 0.023 0.000 1.119 4085 W HN 0.224 nan 8.180 nan 0.000 0.542 4086 C N 4.790 123.395 119.300 -1.159 0.000 2.627 4086 C HA 0.214 4.673 4.460 -0.000 0.000 0.404 4086 C C 2.124 176.836 174.990 -0.464 0.000 1.340 4086 C CA -0.039 58.327 59.018 -1.088 0.000 1.758 4086 C CB -0.408 26.398 27.740 -1.555 0.000 2.501 4086 C HN 0.450 nan 8.230 nan 0.000 0.588 4087 R N 2.481 122.822 120.500 -0.266 0.000 2.297 4087 R HA 0.033 4.372 4.340 -0.000 0.000 0.197 4087 R C 1.634 177.847 176.300 -0.145 0.000 0.943 4087 R CA 0.934 56.942 56.100 -0.153 0.000 1.038 4087 R CB 0.129 30.381 30.300 -0.079 0.000 0.957 4087 R HN 0.875 nan 8.270 nan 0.000 0.484 4088 E N 0.252 120.343 120.200 -0.183 0.000 2.474 4088 E HA 0.015 4.365 4.350 -0.000 0.000 0.195 4088 E C 0.553 177.068 176.600 -0.142 0.000 1.039 4088 E CA 0.075 56.394 56.400 -0.136 0.000 0.881 4088 E CB 0.469 30.100 29.700 -0.114 0.000 0.970 4088 E HN 0.184 nan 8.360 nan 0.000 0.486 4089 V N -1.243 118.558 119.914 -0.190 0.000 2.919 4089 V HA 0.569 4.689 4.120 -0.000 0.000 0.316 4089 V C 0.133 176.144 176.094 -0.140 0.000 1.077 4089 V CA -1.380 60.822 62.300 -0.162 0.000 0.977 4089 V CB 2.147 33.849 31.823 -0.202 0.000 1.039 4089 V HN -0.170 nan 8.190 nan 0.000 0.441 4090 R N 1.879 122.317 120.500 -0.104 0.000 2.784 4090 R HA 0.311 4.651 4.340 -0.000 0.000 0.266 4090 R C -0.152 176.090 176.300 -0.097 0.000 1.044 4090 R CA -0.295 55.751 56.100 -0.089 0.000 1.151 4090 R CB 0.243 30.500 30.300 -0.071 0.000 1.037 4090 R HN 0.689 nan 8.270 nan 0.000 0.478 4091 K N 2.463 122.810 120.400 -0.089 0.000 2.185 4091 K HA 0.348 4.668 4.320 -0.000 0.000 0.271 4091 K C 0.326 176.880 176.600 -0.075 0.000 1.013 4091 K CA -0.351 55.885 56.287 -0.086 0.000 0.943 4091 K CB 0.681 33.130 32.500 -0.084 0.000 0.998 4091 K HN 0.380 nan 8.250 nan 0.000 0.468 4092 L N 1.460 122.647 121.223 -0.060 0.000 2.331 4092 L HA 0.535 4.874 4.340 -0.000 0.000 0.275 4092 L C -0.232 176.604 176.870 -0.057 0.000 1.022 4092 L CA -1.309 53.508 54.840 -0.039 0.000 0.812 4092 L CB 1.778 43.841 42.059 0.007 0.000 1.257 4092 L HN 0.123 nan 8.230 nan 0.000 0.435 4093 V N 1.215 121.085 119.914 -0.073 0.000 2.735 4093 V HA 0.597 4.717 4.120 -0.000 0.000 0.310 4093 V C -0.028 176.024 176.094 -0.069 0.000 1.061 4093 V CA -0.665 61.574 62.300 -0.103 0.000 0.913 4093 V CB 1.994 33.714 31.823 -0.172 0.000 1.005 4093 V HN 0.861 nan 8.190 nan 0.000 0.428 4094 A N 5.683 128.468 122.820 -0.058 0.000 2.269 4094 A HA 0.745 5.064 4.320 -0.000 0.000 0.302 4094 A C -0.534 177.028 177.584 -0.037 0.000 1.266 4094 A CA -0.327 51.695 52.037 -0.024 0.000 0.894 4094 A CB 0.020 19.018 19.000 -0.004 0.000 1.147 4094 A HN 0.791 nan 8.150 nan 0.000 0.537 4095 L N 2.871 124.078 121.223 -0.026 0.000 2.326 4095 L HA 0.256 4.596 4.340 -0.000 0.000 0.278 4095 L C 0.469 177.354 176.870 0.025 0.000 1.092 4095 L CA -0.550 54.272 54.840 -0.030 0.000 0.810 4095 L CB 1.045 43.078 42.059 -0.044 0.000 1.153 4095 L HN 0.682 nan 8.230 nan 0.000 0.439 4096 K N 1.512 121.930 120.400 0.030 0.000 2.485 4096 K HA 0.143 4.463 4.320 -0.000 0.000 0.277 4096 K C 0.071 176.740 176.600 0.116 0.000 0.990 4096 K CA 0.314 56.651 56.287 0.083 0.000 0.994 4096 K CB 0.459 32.991 32.500 0.053 0.000 0.906 4096 K HN 0.588 nan 8.250 nan 0.000 0.488 4097 T N 1.553 116.230 114.554 0.205 0.000 2.971 4097 T HA 0.156 4.506 4.350 -0.000 0.000 0.304 4097 T C -0.707 174.167 174.700 0.289 0.000 1.038 4097 T CA -0.931 61.303 62.100 0.224 0.000 1.007 4097 T CB 0.601 69.598 68.868 0.216 0.000 1.055 4097 T HN 0.601 nan 8.240 nan 0.000 0.451 4098 N N 2.407 121.201 118.700 0.157 0.000 2.365 4098 N HA 0.193 4.933 4.740 -0.000 0.000 0.265 4098 N C 0.814 176.502 175.510 0.296 0.000 1.288 4098 N CA 0.032 53.163 53.050 0.136 0.000 0.869 4098 N CB 0.416 38.887 38.487 -0.027 0.000 1.071 4098 N HN 0.749 nan 8.380 nan 0.000 0.480 4099 G N 1.648 110.549 108.800 0.169 0.000 3.939 4099 G HA2 -0.016 3.943 3.960 -0.000 0.000 0.268 4099 G HA3 -0.016 3.943 3.960 -0.000 0.000 0.268 4099 G C 0.301 175.305 174.900 0.174 0.000 1.172 4099 G CA -0.494 44.713 45.100 0.178 0.000 1.614 4099 G HN 0.670 nan 8.290 nan 0.000 0.639 4100 D N -0.336 120.224 120.400 0.267 0.000 2.336 4100 D HA 0.178 4.817 4.640 -0.000 0.000 0.228 4100 D C 1.599 178.096 176.300 0.327 0.000 1.120 4100 D CA -0.045 54.114 54.000 0.266 0.000 0.839 4100 D CB -0.045 40.963 40.800 0.347 0.000 0.932 4100 D HN 0.471 nan 8.370 nan 0.000 0.509 4101 G N 0.878 109.842 108.800 0.274 0.000 2.195 4101 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.246 4101 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.246 4101 G C 0.703 175.714 174.900 0.186 0.000 0.984 4101 G CA 0.131 45.376 45.100 0.242 0.000 0.633 4101 G HN 0.481 nan 8.290 nan 0.000 0.525 4102 N N -0.045 118.729 118.700 0.123 0.000 2.282 4102 N HA 0.218 4.958 4.740 -0.000 0.000 0.240 4102 N C 2.014 177.310 175.510 -0.357 0.000 1.182 4102 N CA 0.853 53.755 53.050 -0.247 0.000 0.874 4102 N CB -0.490 37.638 38.487 -0.598 0.000 1.126 4102 N HN 0.598 nan 8.380 nan 0.000 0.516 4103 C N -1.129 118.233 119.300 0.102 0.000 2.410 4103 C HA -0.007 4.452 4.460 -0.000 0.000 0.281 4103 C C 2.368 177.445 174.990 0.144 0.000 1.318 4103 C CA -0.115 59.065 59.018 0.270 0.000 1.776 4103 C CB -1.529 26.484 27.740 0.456 0.000 1.942 4103 C HN 0.444 nan 8.230 nan 0.000 0.508 4104 L N 0.474 121.698 121.223 0.002 0.000 2.093 4104 L HA 0.006 4.345 4.340 -0.000 0.000 0.208 4104 L C 2.449 179.090 176.870 -0.383 0.000 1.085 4104 L CA 2.038 56.551 54.840 -0.543 0.000 0.755 4104 L CB -0.712 40.814 42.059 -0.887 0.000 0.904 4104 L HN 0.157 nan 8.230 nan 0.000 0.435 4105 M N -1.327 118.073 119.600 -0.334 0.000 2.236 4105 M HA -0.068 4.412 4.480 -0.000 0.000 0.266 4105 M C 2.344 178.536 176.300 -0.179 0.000 1.070 4105 M CA 1.197 56.322 55.300 -0.292 0.000 1.137 4105 M CB -1.470 30.928 32.600 -0.336 0.000 1.378 4105 M HN 0.327 nan 8.290 nan 0.000 0.426 4106 H N 0.311 119.349 119.070 -0.053 0.000 2.326 4106 H HA 0.094 4.650 4.556 -0.000 0.000 0.301 4106 H C 2.172 177.491 175.328 -0.016 0.000 1.081 4106 H CA 1.730 57.772 56.048 -0.009 0.000 1.334 4106 H CB -0.687 29.105 29.762 0.049 0.000 1.385 4106 H HN 0.338 nan 8.280 nan 0.000 0.504 4107 A N 0.634 123.510 122.820 0.094 0.000 1.865 4107 A HA -0.191 4.128 4.320 -0.000 0.000 0.217 4107 A C 2.649 180.222 177.584 -0.019 0.000 1.191 4107 A CA 2.472 54.535 52.037 0.043 0.000 0.623 4107 A CB -1.067 17.952 19.000 0.033 0.000 0.826 4107 A HN 0.444 nan 8.150 nan 0.000 0.444 4108 T N -0.476 114.003 114.554 -0.125 0.000 2.652 4108 T HA -0.165 4.185 4.350 -0.000 0.000 0.267 4108 T C 2.286 176.842 174.700 -0.240 0.000 1.039 4108 T CA 1.840 63.824 62.100 -0.194 0.000 1.153 4108 T CB -0.488 68.214 68.868 -0.277 0.000 0.863 4108 T HN 0.536 nan 8.240 nan 0.000 0.428 4109 S N 0.768 116.334 115.700 -0.224 0.000 2.370 4109 S HA -0.203 4.267 4.470 -0.000 0.000 0.226 4109 S C 2.193 176.701 174.600 -0.152 0.000 1.033 4109 S CA 1.488 59.530 58.200 -0.262 0.000 1.011 4109 S CB -0.391 62.813 63.200 0.008 0.000 0.852 4109 S HN 0.542 nan 8.310 nan 0.000 0.457 4110 Q N -1.161 118.622 119.800 -0.028 0.000 2.124 4110 Q HA -0.152 4.187 4.340 -0.000 0.000 0.202 4110 Q C 1.908 177.875 176.000 -0.054 0.000 0.977 4110 Q CA 1.721 57.527 55.803 0.004 0.000 0.850 4110 Q CB -0.375 28.385 28.738 0.037 0.000 0.901 4110 Q HN 0.737 nan 8.270 nan 0.000 0.429 4111 Y N 1.720 121.931 120.300 -0.149 0.000 2.081 4111 Y HA -0.297 4.253 4.550 -0.000 0.000 0.280 4111 Y C 2.200 177.998 175.900 -0.169 0.000 1.163 4111 Y CA 2.312 60.324 58.100 -0.146 0.000 1.135 4111 Y CB -0.049 38.317 38.460 -0.157 0.000 0.970 4111 Y HN 0.132 nan 8.280 nan 0.000 0.498 4112 M N -3.694 115.784 119.600 -0.203 0.000 2.486 4112 M HA 0.020 4.500 4.480 -0.000 0.000 0.264 4112 M C 1.046 177.278 176.300 -0.113 0.000 1.125 4112 M CA 0.875 56.002 55.300 -0.288 0.000 1.144 4112 M CB -0.173 32.055 32.600 -0.619 0.000 1.353 4112 M HN 0.129 nan 8.290 nan 0.000 0.466 4113 W N 0.701 121.969 121.300 -0.054 0.000 2.871 4113 W HA 0.546 5.206 4.660 -0.000 0.000 0.267 4113 W C 1.470 177.943 176.519 -0.076 0.000 1.180 4113 W CA 0.574 57.869 57.345 -0.084 0.000 1.463 4113 W CB -0.304 29.111 29.460 -0.074 0.000 0.966 4113 W HN 0.514 nan 8.180 nan 0.000 0.605 4114 G N 0.482 109.359 108.800 0.127 0.000 2.217 4114 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.246 4114 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.246 4114 G C 0.115 175.096 174.900 0.136 0.000 0.990 4114 G CA 0.285 45.438 45.100 0.088 0.000 0.627 4114 G HN 0.330 nan 8.290 nan 0.000 0.522 4115 V N -2.034 117.971 119.914 0.150 0.000 2.850 4115 V HA 0.868 4.988 4.120 -0.000 0.000 0.315 4115 V C 0.232 176.373 176.094 0.078 0.000 1.064 4115 V CA -0.935 61.410 62.300 0.075 0.000 0.979 4115 V CB 1.680 33.519 31.823 0.026 0.000 1.039 4115 V HN 0.361 nan 8.190 nan 0.000 0.452 4116 Q N 0.349 120.141 119.800 -0.014 0.000 2.166 4116 Q HA 0.306 4.646 4.340 -0.000 0.000 0.226 4116 Q C -0.650 175.431 176.000 0.134 0.000 0.989 4116 Q CA -0.466 55.375 55.803 0.064 0.000 0.966 4116 Q CB 1.137 29.829 28.738 -0.075 0.000 1.173 4116 Q HN 0.947 nan 8.270 nan 0.000 0.509 4117 D N -0.210 120.419 120.400 0.382 0.000 3.032 4117 D HA 0.041 4.680 4.640 -0.000 0.000 0.241 4117 D C 0.347 176.780 176.300 0.222 0.000 1.196 4117 D CA 0.218 54.369 54.000 0.252 0.000 0.927 4117 D CB 0.001 40.849 40.800 0.081 0.000 1.129 4117 D HN 0.407 nan 8.370 nan 0.000 0.458 4118 T N -0.600 114.005 114.554 0.085 0.000 2.833 4118 T HA -0.134 4.216 4.350 -0.000 0.000 0.269 4118 T C 0.866 175.592 174.700 0.043 0.000 1.054 4118 T CA 0.953 63.069 62.100 0.026 0.000 1.135 4118 T CB 0.001 68.805 68.868 -0.106 0.000 0.869 4118 T HN 0.258 nan 8.240 nan 0.000 0.466 4119 D N 0.435 120.854 120.400 0.031 0.000 2.328 4119 D HA 0.249 4.889 4.640 -0.000 0.000 0.221 4119 D C 1.012 177.328 176.300 0.026 0.000 1.072 4119 D CA -0.039 53.977 54.000 0.028 0.000 0.850 4119 D CB -0.158 40.653 40.800 0.018 0.000 0.922 4119 D HN 0.258 nan 8.370 nan 0.000 0.516 4120 L N -0.270 120.961 121.223 0.014 0.000 4.040 4120 L HA -0.294 4.046 4.340 -0.000 0.000 0.410 4120 L C 1.387 178.258 176.870 0.002 0.000 1.187 4120 L CA -0.390 54.423 54.840 -0.045 0.000 0.956 4120 L CB -1.596 40.419 42.059 -0.074 0.000 2.022 4120 L HN 0.003 nan 8.230 nan 0.000 0.897 4121 V N -0.678 119.273 119.914 0.062 0.000 2.261 4121 V HA -0.314 3.806 4.120 -0.000 0.000 0.246 4121 V C 2.203 178.390 176.094 0.155 0.000 1.047 4121 V CA 2.443 64.813 62.300 0.117 0.000 1.015 4121 V CB -0.293 31.641 31.823 0.186 0.000 0.642 4121 V HN 0.479 nan 8.190 nan 0.000 0.446 4122 L N -0.289 121.035 121.223 0.167 0.000 2.056 4122 L HA -0.152 4.187 4.340 -0.000 0.000 0.207 4122 L C 2.780 179.673 176.870 0.038 0.000 1.078 4122 L CA 1.662 56.592 54.840 0.151 0.000 0.749 4122 L CB -0.617 41.479 42.059 0.061 0.000 0.901 4122 L HN 0.287 nan 8.230 nan 0.000 0.433 4123 R N 0.953 121.421 120.500 -0.052 0.000 2.127 4123 R HA -0.154 4.186 4.340 -0.000 0.000 0.238 4123 R C 2.069 178.351 176.300 -0.030 0.000 1.134 4123 R CA 1.593 57.623 56.100 -0.117 0.000 0.975 4123 R CB -0.203 29.951 30.300 -0.243 0.000 0.865 4123 R HN 0.249 nan 8.270 nan 0.000 0.447 4124 K N -0.751 119.658 120.400 0.015 0.000 2.116 4124 K HA 0.109 4.429 4.320 -0.000 0.000 0.203 4124 K C 1.982 178.660 176.600 0.129 0.000 1.052 4124 K CA 0.913 57.244 56.287 0.074 0.000 0.952 4124 K CB -0.030 32.500 32.500 0.051 0.000 0.729 4124 K HN 0.228 nan 8.250 nan 0.000 0.446 4125 A N 1.605 124.495 122.820 0.118 0.000 1.933 4125 A HA -0.168 4.151 4.320 -0.000 0.000 0.218 4125 A C 2.103 179.777 177.584 0.150 0.000 1.175 4125 A CA 1.150 53.274 52.037 0.145 0.000 0.628 4125 A CB -0.510 18.582 19.000 0.153 0.000 0.814 4125 A HN 0.242 nan 8.150 nan 0.000 0.444 4126 L N -1.766 119.515 121.223 0.095 0.000 1.989 4126 L HA -0.127 4.213 4.340 -0.000 0.000 0.211 4126 L C 2.248 179.152 176.870 0.056 0.000 1.071 4126 L CA 2.400 57.262 54.840 0.037 0.000 0.749 4126 L CB -0.606 41.436 42.059 -0.028 0.000 0.890 4126 L HN 0.394 nan 8.230 nan 0.000 0.431 4127 F N -0.525 119.401 119.950 -0.039 0.000 2.171 4127 F HA -0.217 4.310 4.527 -0.000 0.000 0.300 4127 F C 2.828 178.646 175.800 0.029 0.000 1.090 4127 F CA 1.626 59.608 58.000 -0.031 0.000 1.293 4127 F CB -0.577 38.399 39.000 -0.040 0.000 1.013 4127 F HN 0.289 nan 8.300 nan 0.000 0.486 4128 S N -0.966 114.816 115.700 0.137 0.000 2.356 4128 S HA -0.206 4.264 4.470 -0.000 0.000 0.223 4128 S C 2.096 176.784 174.600 0.147 0.000 1.032 4128 S CA 2.158 60.454 58.200 0.161 0.000 1.005 4128 S CB -0.731 62.622 63.200 0.254 0.000 0.867 4128 S HN 0.490 nan 8.310 nan 0.000 0.449 4129 T N 2.622 117.224 114.554 0.080 0.000 2.746 4129 T HA 0.073 4.422 4.350 -0.000 0.000 0.267 4129 T C 1.599 176.245 174.700 -0.089 0.000 1.039 4129 T CA 1.423 63.441 62.100 -0.138 0.000 1.142 4129 T CB -0.363 68.444 68.868 -0.103 0.000 0.866 4129 T HN 0.373 nan 8.240 nan 0.000 0.444 4130 L N 0.041 121.186 121.223 -0.130 0.000 2.622 4130 L HA 0.107 4.447 4.340 -0.000 0.000 0.233 4130 L C 2.260 179.012 176.870 -0.196 0.000 1.156 4130 L CA 0.809 55.562 54.840 -0.146 0.000 0.866 4130 L CB -0.167 41.735 42.059 -0.261 0.000 0.980 4130 L HN 0.095 nan 8.230 nan 0.000 0.448 4131 K N 0.091 120.348 120.400 -0.237 0.000 2.380 4131 K HA 0.082 4.401 4.320 -0.000 0.000 0.200 4131 K C 0.758 177.330 176.600 -0.047 0.000 1.201 4131 K CA 0.471 56.634 56.287 -0.207 0.000 0.916 4131 K CB 0.667 32.934 32.500 -0.389 0.000 1.187 4131 K HN -0.035 nan 8.250 nan 0.000 0.498 4132 E N -0.034 120.177 120.200 0.018 0.000 2.815 4132 E HA 0.230 4.580 4.350 -0.000 0.000 0.211 4132 E C -1.119 175.525 176.600 0.074 0.000 1.004 4132 E CA -0.169 56.281 56.400 0.083 0.000 1.173 4132 E CB 1.603 31.390 29.700 0.146 0.000 1.163 4132 E HN -0.040 nan 8.360 nan 0.000 0.449 4133 T N -0.459 114.098 114.554 0.004 0.000 2.841 4133 T HA 0.179 4.529 4.350 -0.000 0.000 0.296 4133 T C -1.586 173.117 174.700 0.005 0.000 1.166 4133 T CA -0.827 61.249 62.100 -0.040 0.000 1.007 4133 T CB 1.583 70.352 68.868 -0.166 0.000 1.253 4133 T HN -0.056 nan 8.240 nan 0.000 0.511 4134 D N 1.240 121.628 120.400 -0.020 0.000 2.325 4134 D HA 0.263 4.903 4.640 -0.000 0.000 0.251 4134 D C 0.914 177.225 176.300 0.017 0.000 1.196 4134 D CA -0.040 53.949 54.000 -0.018 0.000 0.866 4134 D CB 0.879 41.634 40.800 -0.075 0.000 1.101 4134 D HN 0.546 nan 8.370 nan 0.000 0.476 4135 T N 0.708 115.321 114.554 0.097 0.000 3.215 4135 T HA 0.218 4.568 4.350 -0.000 0.000 0.271 4135 T C 1.428 176.171 174.700 0.071 0.000 1.012 4135 T CA -0.427 61.810 62.100 0.228 0.000 0.899 4135 T CB 0.031 69.199 68.868 0.500 0.000 1.089 4135 T HN 0.256 nan 8.240 nan 0.000 0.552 4136 R N 1.530 122.012 120.500 -0.030 0.000 2.081 4136 R HA -0.023 4.316 4.340 -0.000 0.000 0.235 4136 R C 1.907 178.201 176.300 -0.010 0.000 1.131 4136 R CA 1.613 57.675 56.100 -0.064 0.000 0.960 4136 R CB -0.267 29.978 30.300 -0.092 0.000 0.856 4136 R HN 0.361 nan 8.270 nan 0.000 0.436 4137 N N 0.174 118.848 118.700 -0.043 0.000 2.270 4137 N HA -0.086 4.653 4.740 -0.000 0.000 0.181 4137 N C 1.641 177.324 175.510 0.288 0.000 1.016 4137 N CA 1.150 54.229 53.050 0.049 0.000 0.870 4137 N CB -0.198 38.155 38.487 -0.224 0.000 0.979 4137 N HN 0.205 nan 8.380 nan 0.000 0.431 4138 F N 1.473 121.623 119.950 0.333 0.000 2.128 4138 F HA -0.037 4.490 4.527 -0.000 0.000 0.295 4138 F C 2.521 178.454 175.800 0.222 0.000 1.100 4138 F CA 0.582 58.761 58.000 0.299 0.000 1.260 4138 F CB 0.029 39.195 39.000 0.277 0.000 1.009 4138 F HN -0.051 nan 8.300 nan 0.000 0.476 4139 K N 0.200 120.621 120.400 0.035 0.000 2.063 4139 K HA -0.244 4.076 4.320 -0.000 0.000 0.208 4139 K C 2.032 178.681 176.600 0.082 0.000 1.048 4139 K CA 1.558 57.554 56.287 -0.484 0.000 0.928 4139 K CB -0.370 31.568 32.500 -0.936 0.000 0.713 4139 K HN 0.185 nan 8.250 nan 0.000 0.442 4140 F N 1.799 121.750 119.950 0.002 0.000 2.051 4140 F HA -0.166 4.361 4.527 -0.000 0.000 0.296 4140 F C 2.030 177.880 175.800 0.084 0.000 1.122 4140 F CA 1.578 59.576 58.000 -0.002 0.000 1.201 4140 F CB -0.200 38.782 39.000 -0.031 0.000 0.978 4140 F HN -0.077 nan 8.300 nan 0.000 0.472 4141 R N -0.977 119.604 120.500 0.134 0.000 2.159 4141 R HA -0.241 4.099 4.340 -0.000 0.000 0.237 4141 R C 2.052 178.490 176.300 0.230 0.000 1.131 4141 R CA 1.667 57.844 56.100 0.127 0.000 0.982 4141 R CB -1.096 29.445 30.300 0.402 0.000 0.868 4141 R HN 0.574 nan 8.270 nan 0.000 0.453 4142 W N 2.217 123.614 121.300 0.161 0.000 2.408 4142 W HA -0.135 4.525 4.660 -0.000 0.000 0.311 4142 W C 1.904 178.536 176.519 0.188 0.000 1.190 4142 W CA 1.210 58.739 57.345 0.308 0.000 1.321 4142 W CB -0.313 29.416 29.460 0.448 0.000 1.143 4142 W HN -0.031 nan 8.180 nan 0.000 0.501 4143 Q N 0.059 119.636 119.800 -0.371 0.000 2.124 4143 Q HA -0.223 4.117 4.340 -0.000 0.000 0.202 4143 Q C 2.125 177.671 176.000 -0.757 0.000 0.977 4143 Q CA 1.672 56.925 55.803 -0.918 0.000 0.850 4143 Q CB -0.783 27.336 28.738 -1.031 0.000 0.901 4143 Q HN 0.318 nan 8.270 nan 0.000 0.429 4144 L N 1.376 122.213 121.223 -0.643 0.000 1.955 4144 L HA -0.208 4.132 4.340 -0.000 0.000 0.213 4144 L C 2.095 178.747 176.870 -0.364 0.000 1.072 4144 L CA 2.078 56.584 54.840 -0.557 0.000 0.755 4144 L CB -0.639 41.031 42.059 -0.649 0.000 0.888 4144 L HN 0.164 nan 8.230 nan 0.000 0.432 4145 E N -1.414 118.627 120.200 -0.265 0.000 2.333 4145 E HA -0.150 4.200 4.350 -0.000 0.000 0.198 4145 E C 1.960 178.443 176.600 -0.195 0.000 1.007 4145 E CA 0.861 57.112 56.400 -0.249 0.000 0.845 4145 E CB 0.095 29.604 29.700 -0.319 0.000 0.766 4145 E HN 0.566 nan 8.360 nan 0.000 0.507 4146 S N 0.230 115.811 115.700 -0.199 0.000 2.345 4146 S HA -0.093 4.377 4.470 -0.000 0.000 0.219 4146 S C 1.753 176.316 174.600 -0.061 0.000 1.031 4146 S CA 0.834 58.968 58.200 -0.110 0.000 0.984 4146 S CB -0.103 63.014 63.200 -0.138 0.000 0.874 4146 S HN 0.266 nan 8.310 nan 0.000 0.451 4147 L N 0.531 121.676 121.223 -0.129 0.000 2.362 4147 L HA 0.094 4.433 4.340 -0.000 0.000 0.219 4147 L C -0.187 176.603 176.870 -0.133 0.000 1.134 4147 L CA 0.374 55.136 54.840 -0.132 0.000 0.807 4147 L CB -0.680 41.239 42.059 -0.234 0.000 0.927 4147 L HN 0.152 nan 8.230 nan 0.000 0.447 4148 K N -0.082 120.220 120.400 -0.164 0.000 6.165 4148 K HA -0.122 4.198 4.320 -0.000 0.000 0.850 4148 K C -0.232 176.251 176.600 -0.195 0.000 2.178 4148 K CA 0.786 56.967 56.287 -0.176 0.000 1.624 4148 K CB -1.228 31.197 32.500 -0.125 0.000 2.431 4148 K HN 0.117 nan 8.250 nan 0.000 0.245 4149 S N 2.588 118.146 115.700 -0.236 0.000 2.479 4149 S HA 0.441 4.911 4.470 -0.000 0.000 0.169 4149 S C -1.032 173.407 174.600 -0.269 0.000 1.181 4149 S CA -0.474 57.592 58.200 -0.223 0.000 1.169 4149 S CB 0.550 63.626 63.200 -0.207 0.000 1.384 4149 S HN 0.515 nan 8.310 nan 0.000 0.412 4150 Q N 1.255 120.864 119.800 -0.317 0.000 3.111 4150 Q HA 0.560 4.899 4.340 -0.000 0.000 0.372 4150 Q C -0.316 175.444 176.000 -0.400 0.000 0.781 4150 Q CA -0.636 54.894 55.803 -0.456 0.000 0.866 4150 Q CB 1.086 29.372 28.738 -0.754 0.000 1.351 4150 Q HN 0.503 nan 8.270 nan 0.000 0.453 4151 E N -0.926 118.938 120.200 -0.560 0.000 2.702 4151 E HA 0.155 4.504 4.350 -0.000 0.000 0.225 4151 E C -0.875 175.626 176.600 -0.165 0.000 0.942 4151 E CA 0.034 56.270 56.400 -0.273 0.000 1.210 4151 E CB 0.779 30.412 29.700 -0.112 0.000 1.143 4151 E HN 0.404 nan 8.360 nan 0.000 0.544 4152 F N -0.570 119.321 119.950 -0.097 0.000 2.619 4152 F HA 0.535 5.062 4.527 -0.000 0.000 0.382 4152 F C -0.804 174.923 175.800 -0.121 0.000 1.466 4152 F CA -1.084 56.858 58.000 -0.096 0.000 1.137 4152 F CB 0.862 39.806 39.000 -0.093 0.000 1.205 4152 F HN -0.164 nan 8.300 nan 0.000 0.525 4153 V N 0.957 120.796 119.914 -0.126 0.000 2.795 4153 V HA 0.476 4.596 4.120 -0.000 0.000 0.272 4153 V C -0.439 175.584 176.094 -0.119 0.000 1.130 4153 V CA 0.181 62.410 62.300 -0.119 0.000 0.931 4153 V CB 0.802 32.502 31.823 -0.206 0.000 1.062 4153 V HN 0.745 nan 8.190 nan 0.000 0.476 4160 D N 0.433 120.929 120.400 0.160 0.000 2.125 4160 D HA 0.181 4.821 4.640 -0.000 0.000 0.266 4160 D C 0.030 176.383 176.300 0.090 0.000 1.124 4160 D CA 0.847 54.907 54.000 0.099 0.000 0.913 4160 D CB 0.142 40.981 40.800 0.066 0.000 0.964 4160 D HN 0.040 nan 8.370 nan 0.000 0.370 4161 T N -1.166 113.436 114.554 0.079 0.000 3.933 4161 T HA 0.443 4.793 4.350 -0.000 0.000 0.357 4161 T C -1.408 173.349 174.700 0.095 0.000 1.077 4161 T CA -0.741 61.408 62.100 0.082 0.000 1.082 4161 T CB 1.594 70.500 68.868 0.063 0.000 1.158 4161 T HN 0.583 nan 8.240 nan 0.000 0.472 4162 R N 2.947 123.530 120.500 0.139 0.000 2.873 4162 R HA -0.174 4.166 4.340 -0.000 0.000 0.281 4162 R C -1.159 175.242 176.300 0.168 0.000 0.933 4162 R CA 0.898 57.111 56.100 0.187 0.000 0.712 4162 R CB -2.285 28.092 30.300 0.129 0.000 1.780 4162 R HN 0.873 nan 8.270 nan 0.000 0.488 4163 N N 1.798 120.586 118.700 0.148 0.000 2.750 4163 N HA 0.304 5.044 4.740 -0.000 0.000 0.253 4163 N C -0.178 175.135 175.510 -0.329 0.000 1.408 4163 N CA -0.295 52.721 53.050 -0.057 0.000 0.780 4163 N CB 0.324 38.723 38.487 -0.147 0.000 1.191 4163 N HN 0.436 nan 8.380 nan 0.000 0.511 4164 W N 0.381 121.790 121.300 0.180 0.000 4.977 4164 W HA 0.301 4.961 4.660 -0.001 0.000 0.185 4164 W C 1.624 178.358 176.519 0.358 0.000 1.003 4164 W CA -0.065 57.465 57.345 0.308 0.000 1.997 4164 W CB -0.230 29.343 29.460 0.188 0.000 0.712 4164 W HN 0.205 nan 8.180 nan 0.000 1.014 4165 N N 1.266 120.235 118.700 0.447 0.000 2.588 4165 N HA -0.157 4.583 4.740 -0.000 0.000 0.190 4165 N C 0.464 176.146 175.510 0.286 0.000 1.094 4165 N CA 1.919 55.150 53.050 0.301 0.000 0.921 4165 N CB -0.058 38.543 38.487 0.191 0.000 0.959 4165 N HN 0.355 nan 8.380 nan 0.000 0.448 4166 D N 0.638 121.200 120.400 0.270 0.000 2.735 4166 D HA -0.043 4.597 4.640 -0.000 0.000 0.267 4166 D C 1.557 177.969 176.300 0.187 0.000 1.081 4166 D CA 0.260 54.376 54.000 0.193 0.000 0.980 4166 D CB 0.024 40.904 40.800 0.133 0.000 1.129 4166 D HN 0.057 nan 8.370 nan 0.000 0.459 4167 E N -0.427 119.886 120.200 0.189 0.000 2.463 4167 E HA -0.152 4.197 4.350 -0.000 0.000 0.201 4167 E C 1.447 178.121 176.600 0.123 0.000 1.045 4167 E CA 0.354 56.843 56.400 0.148 0.000 0.872 4167 E CB -0.215 29.570 29.700 0.143 0.000 0.797 4167 E HN 0.545 nan 8.360 nan 0.000 0.538 4168 W N 1.153 122.430 121.300 -0.037 0.000 2.436 4168 W HA -0.151 4.508 4.660 -0.000 0.000 0.284 4168 W C 0.685 177.109 176.519 -0.159 0.000 1.225 4168 W CA 1.118 58.308 57.345 -0.259 0.000 1.271 4168 W CB 0.097 29.492 29.460 -0.108 0.000 1.114 4168 W HN 0.106 nan 8.180 nan 0.000 0.559 4169 D N 0.226 120.627 120.400 0.002 0.000 2.117 4169 D HA -0.260 4.380 4.640 -0.000 0.000 0.197 4169 D C 1.915 178.148 176.300 -0.111 0.000 0.987 4169 D CA 1.364 55.331 54.000 -0.055 0.000 0.829 4169 D CB -1.074 39.758 40.800 0.053 0.000 0.961 4169 D HN 0.196 nan 8.370 nan 0.000 0.460 4170 N N 0.816 119.473 118.700 -0.072 0.000 2.137 4170 N HA -0.154 4.586 4.740 -0.000 0.000 0.190 4170 N C 1.790 177.241 175.510 -0.099 0.000 1.017 4170 N CA 0.795 53.815 53.050 -0.050 0.000 0.859 4170 N CB -0.139 38.342 38.487 -0.010 0.000 1.002 4170 N HN 0.243 nan 8.380 nan 0.000 0.428 4171 L N 0.127 121.187 121.223 -0.271 0.000 2.270 4171 L HA 0.048 4.387 4.340 -0.000 0.000 0.210 4171 L C 2.270 179.022 176.870 -0.197 0.000 1.104 4171 L CA 0.326 54.979 54.840 -0.312 0.000 0.804 4171 L CB -0.157 41.440 42.059 -0.769 0.000 0.937 4171 L HN 0.093 nan 8.230 nan 0.000 0.450 4172 I N -0.258 120.105 120.570 -0.345 0.000 2.439 4172 I HA -0.191 3.979 4.170 -0.000 0.000 0.251 4172 I C 2.293 178.497 176.117 0.145 0.000 1.139 4172 I CA 0.810 61.984 61.300 -0.209 0.000 1.438 4172 I CB -0.063 37.747 38.000 -0.317 0.000 1.085 4172 I HN 0.125 nan 8.210 nan 0.000 0.427 4173 K N 0.631 121.091 120.400 0.101 0.000 2.103 4173 K HA 0.007 4.327 4.320 -0.000 0.000 0.204 4173 K C 2.001 178.645 176.600 0.073 0.000 1.052 4173 K CA 1.305 57.683 56.287 0.151 0.000 0.945 4173 K CB -0.244 32.297 32.500 0.067 0.000 0.722 4173 K HN 0.210 nan 8.250 nan 0.000 0.443 4174 M N -0.326 119.300 119.600 0.043 0.000 2.296 4174 M HA -0.062 4.417 4.480 -0.000 0.000 0.265 4174 M C 1.950 178.183 176.300 -0.111 0.000 1.064 4174 M CA 1.385 56.680 55.300 -0.009 0.000 1.109 4174 M CB -0.330 32.299 32.600 0.049 0.000 1.396 4174 M HN 0.123 nan 8.290 nan 0.000 0.430 4175 A N 0.455 123.234 122.820 -0.069 0.000 2.119 4175 A HA -0.011 4.308 4.320 -0.000 0.000 0.217 4175 A C 1.404 178.994 177.584 0.009 0.000 1.153 4175 A CA 0.765 52.752 52.037 -0.083 0.000 0.692 4175 A CB -0.538 18.512 19.000 0.082 0.000 0.799 4175 A HN 0.532 nan 8.150 nan 0.000 0.458 4176 S N -0.626 114.965 115.700 -0.182 0.000 2.600 4176 S HA 0.247 4.716 4.470 -0.000 0.000 0.265 4176 S C 1.014 175.396 174.600 -0.363 0.000 1.325 4176 S CA 0.328 58.033 58.200 -0.825 0.000 1.002 4176 S CB 0.678 63.225 63.200 -1.088 0.000 0.921 4176 S HN 0.605 nan 8.310 nan 0.000 0.554 4177 T N -2.307 112.043 114.554 -0.340 0.000 3.148 4177 T HA 0.112 4.462 4.350 -0.000 0.000 0.253 4177 T C -0.120 174.602 174.700 0.037 0.000 1.134 4177 T CA -0.142 61.925 62.100 -0.055 0.000 1.051 4177 T CB -0.659 68.183 68.868 -0.043 0.000 0.959 4177 T HN 0.543 nan 8.240 nan 0.000 0.525 4178 D N 2.647 122.994 120.400 -0.088 0.000 2.368 4178 D HA 0.248 4.888 4.640 -0.000 0.000 0.240 4178 D C 0.109 176.390 176.300 -0.031 0.000 1.169 4178 D CA 0.284 54.247 54.000 -0.061 0.000 0.906 4178 D CB 0.694 41.440 40.800 -0.090 0.000 1.187 4178 D HN 0.162 nan 8.370 nan 0.000 0.435 4179 T N 1.790 116.307 114.554 -0.060 0.000 2.837 4179 T HA 0.494 4.843 4.350 -0.000 0.000 0.285 4179 T C -2.090 172.579 174.700 -0.052 0.000 0.984 4179 T CA -1.188 60.862 62.100 -0.084 0.000 1.049 4179 T CB 1.305 70.102 68.868 -0.119 0.000 0.947 4179 T HN 0.134 nan 8.240 nan 0.000 0.472 4180 P HA 0.295 nan 4.420 nan 0.000 0.274 4180 P C 0.202 177.485 177.300 -0.029 0.000 1.246 4180 P CA -0.656 62.431 63.100 -0.023 0.000 0.795 4180 P CB 0.427 32.121 31.700 -0.010 0.000 1.006 4181 M N 1.175 120.764 119.600 -0.019 0.000 3.435 4181 M HA 0.183 4.663 4.480 -0.000 0.000 0.205 4181 M C 0.322 176.610 176.300 -0.020 0.000 1.324 4181 M CA -0.101 55.188 55.300 -0.020 0.000 1.455 4181 M CB -1.734 30.859 32.600 -0.012 0.000 1.240 4181 M HN 0.624 nan 8.290 nan 0.000 0.477 4182 A N 0.224 123.029 122.820 -0.026 0.000 2.667 4182 A HA -0.245 4.074 4.320 -0.000 0.000 0.298 4182 A C 1.375 178.947 177.584 -0.019 0.000 1.483 4182 A CA 1.001 53.023 52.037 -0.025 0.000 0.738 4182 A CB -1.782 17.203 19.000 -0.025 0.000 1.067 4182 A HN 0.681 nan 8.150 nan 0.000 0.451 4183 R N -0.292 120.199 120.500 -0.015 0.000 2.237 4183 R HA 0.077 4.417 4.340 -0.000 0.000 0.219 4183 R C 1.948 178.236 176.300 -0.019 0.000 1.080 4183 R CA 1.683 57.777 56.100 -0.010 0.000 0.995 4183 R CB -0.038 30.262 30.300 -0.001 0.000 0.875 4183 R HN 0.888 nan 8.270 nan 0.000 0.462 4184 S N -3.121 112.565 115.700 -0.023 0.000 2.483 4184 S HA 0.191 4.660 4.470 -0.000 0.000 0.280 4184 S C 0.359 174.939 174.600 -0.033 0.000 1.059 4184 S CA 0.379 58.557 58.200 -0.036 0.000 1.359 4184 S CB 1.084 64.256 63.200 -0.047 0.000 1.171 4184 S HN 0.411 nan 8.310 nan 0.000 0.625 4185 G N 1.809 110.593 108.800 -0.027 0.000 2.173 4185 G HA2 -0.088 3.871 3.960 -0.000 0.000 0.174 4185 G HA3 -0.088 3.871 3.960 -0.000 0.000 0.174 4185 G C -0.560 174.324 174.900 -0.027 0.000 1.025 4185 G CA 0.061 45.144 45.100 -0.029 0.000 0.706 4185 G HN 0.416 nan 8.290 nan 0.000 0.499 4186 L N -0.239 120.970 121.223 -0.024 0.000 2.319 4186 L HA 0.522 4.862 4.340 -0.000 0.000 0.267 4186 L C 1.497 178.322 176.870 -0.076 0.000 1.011 4186 L CA -0.593 54.237 54.840 -0.018 0.000 0.818 4186 L CB 1.196 43.276 42.059 0.034 0.000 1.316 4186 L HN 0.292 nan 8.230 nan 0.000 0.432 4187 Q N 0.443 120.160 119.800 -0.138 0.000 2.291 4187 Q HA -0.046 4.294 4.340 -0.000 0.000 0.205 4187 Q C -0.780 174.827 176.000 -0.655 0.000 0.970 4187 Q CA 1.421 56.980 55.803 -0.407 0.000 0.876 4187 Q CB 0.320 28.748 28.738 -0.517 0.000 0.935 4187 Q HN 0.576 nan 8.270 nan 0.000 0.455 4188 Y N -0.420 119.886 120.300 0.009 0.000 2.605 4188 Y HA 0.327 4.877 4.550 -0.000 0.000 0.343 4188 Y C -0.310 175.583 175.900 -0.011 0.000 1.036 4188 Y CA -1.494 56.597 58.100 -0.014 0.000 1.065 4188 Y CB 1.039 39.486 38.460 -0.022 0.000 1.288 4188 Y HN -0.068 nan 8.280 nan 0.000 0.481 4189 N N 0.295 119.081 118.700 0.144 0.000 2.508 4189 N HA 0.113 4.853 4.740 -0.000 0.000 0.264 4189 N C -0.614 174.944 175.510 0.079 0.000 1.216 4189 N CA -0.275 52.818 53.050 0.073 0.000 0.943 4189 N CB 1.275 39.779 38.487 0.028 0.000 1.113 4189 N HN 0.396 nan 8.380 nan 0.000 0.447 4190 S N 1.053 116.810 115.700 0.094 0.000 2.580 4190 S HA 0.353 4.822 4.470 -0.000 0.000 0.274 4190 S C -0.062 174.611 174.600 0.122 0.000 1.329 4190 S CA -0.676 57.605 58.200 0.135 0.000 1.036 4190 S CB 0.257 63.558 63.200 0.169 0.000 0.919 4190 S HN 0.309 nan 8.310 nan 0.000 0.515 4191 L N 3.448 124.765 121.223 0.155 0.000 2.334 4191 L HA 0.612 4.952 4.340 -0.000 0.000 0.272 4191 L C 0.387 177.464 176.870 0.344 0.000 1.020 4191 L CA -0.726 54.219 54.840 0.174 0.000 0.812 4191 L CB 1.568 43.585 42.059 -0.071 0.000 1.264 4191 L HN 0.764 nan 8.230 nan 0.000 0.439 4192 E N -0.048 120.421 120.200 0.448 0.000 2.412 4192 E HA 0.329 4.678 4.350 -0.000 0.000 0.255 4192 E C -0.120 176.598 176.600 0.197 0.000 0.933 4192 E CA -0.763 55.799 56.400 0.269 0.000 0.823 4192 E CB 0.980 30.811 29.700 0.219 0.000 1.352 4192 E HN 0.413 nan 8.360 nan 0.000 0.406 4193 E N 0.270 120.616 120.200 0.243 0.000 2.082 4193 E HA -0.281 4.069 4.350 -0.000 0.000 0.215 4193 E C 1.684 178.515 176.600 0.386 0.000 1.048 4193 E CA 2.055 58.696 56.400 0.402 0.000 0.869 4193 E CB -0.513 29.582 29.700 0.658 0.000 0.773 4193 E HN 0.596 nan 8.360 nan 0.000 0.466 4194 I N 0.534 121.268 120.570 0.274 0.000 2.236 4194 I HA -0.330 3.840 4.170 -0.000 0.000 0.249 4194 I C 1.838 177.783 176.117 -0.287 0.000 1.102 4194 I CA 1.965 63.111 61.300 -0.258 0.000 1.365 4194 I CB -0.358 37.504 38.000 -0.231 0.000 1.051 4194 I HN 0.222 nan 8.210 nan 0.000 0.420 4195 H N -0.077 118.900 119.070 -0.156 0.000 2.353 4195 H HA -0.087 4.468 4.556 -0.000 0.000 0.300 4195 H C 2.295 177.466 175.328 -0.262 0.000 1.090 4195 H CA 1.962 57.873 56.048 -0.228 0.000 1.327 4195 H CB -0.178 29.481 29.762 -0.171 0.000 1.383 4195 H HN 0.349 nan 8.280 nan 0.000 0.508 4196 I N -0.117 120.357 120.570 -0.159 0.000 2.226 4196 I HA -0.285 3.884 4.170 -0.000 0.000 0.245 4196 I C 2.112 178.077 176.117 -0.253 0.000 1.100 4196 I CA 1.254 62.325 61.300 -0.381 0.000 1.374 4196 I CB -0.362 37.133 38.000 -0.842 0.000 1.057 4196 I HN 0.237 nan 8.210 nan 0.000 0.413 4197 F N 1.463 121.275 119.950 -0.229 0.000 2.102 4197 F HA -0.214 4.313 4.527 -0.000 0.000 0.298 4197 F C 2.450 178.093 175.800 -0.261 0.000 1.105 4197 F CA 1.476 59.436 58.000 -0.068 0.000 1.239 4197 F CB 0.021 38.886 39.000 -0.224 0.000 0.991 4197 F HN -0.250 nan 8.300 nan 0.000 0.474 4198 V N 0.886 120.475 119.914 -0.542 0.000 2.343 4198 V HA -0.321 3.799 4.120 -0.000 0.000 0.247 4198 V C 2.379 178.254 176.094 -0.364 0.000 1.051 4198 V CA 1.764 63.590 62.300 -0.791 0.000 1.036 4198 V CB -0.775 30.567 31.823 -0.803 0.000 0.654 4198 V HN 0.457 nan 8.190 nan 0.000 0.451 4199 L N 0.836 121.909 121.223 -0.250 0.000 2.012 4199 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 4199 L C 2.696 179.501 176.870 -0.109 0.000 1.073 4199 L CA 2.770 57.519 54.840 -0.151 0.000 0.748 4199 L CB -0.537 41.408 42.059 -0.191 0.000 0.891 4199 L HN 0.711 nan 8.230 nan 0.000 0.431 4200 C N -0.415 118.802 119.300 -0.138 0.000 2.432 4200 C HA -0.061 4.399 4.460 -0.000 0.000 0.282 4200 C C 2.346 177.307 174.990 -0.049 0.000 1.388 4200 C CA 0.519 59.489 59.018 -0.081 0.000 1.777 4200 C CB -1.276 26.447 27.740 -0.027 0.000 1.882 4200 C HN 0.556 nan 8.230 nan 0.000 0.520 4201 N N 1.456 120.122 118.700 -0.055 0.000 2.207 4201 N HA 0.089 4.829 4.740 -0.000 0.000 0.182 4201 N C 1.775 177.482 175.510 0.329 0.000 1.020 4201 N CA 1.524 54.681 53.050 0.179 0.000 0.858 4201 N CB -0.295 38.289 38.487 0.161 0.000 0.991 4201 N HN 0.596 nan 8.380 nan 0.000 0.427 4202 I N 1.293 121.987 120.570 0.206 0.000 2.286 4202 I HA -0.209 3.961 4.170 -0.000 0.000 0.248 4202 I C 1.791 178.069 176.117 0.268 0.000 1.115 4202 I CA 0.976 62.444 61.300 0.280 0.000 1.392 4202 I CB -0.135 37.996 38.000 0.219 0.000 1.065 4202 I HN 0.064 nan 8.210 nan 0.000 0.418 4203 L N -0.133 121.170 121.223 0.133 0.000 2.446 4203 L HA 0.077 4.417 4.340 -0.000 0.000 0.219 4203 L C 0.601 177.343 176.870 -0.214 0.000 1.116 4203 L CA 0.133 55.005 54.840 0.052 0.000 0.844 4203 L CB -0.264 41.782 42.059 -0.021 0.000 0.970 4203 L HN 0.195 nan 8.230 nan 0.000 0.457 4204 R N 0.501 120.834 120.500 -0.279 0.000 3.333 4204 R HA -0.173 4.167 4.340 -0.000 0.000 0.256 4204 R C 0.068 176.287 176.300 -0.136 0.000 1.010 4204 R CA 0.427 56.235 56.100 -0.487 0.000 0.680 4204 R CB -1.653 28.052 30.300 -0.991 0.000 1.102 4204 R HN 0.365 nan 8.270 nan 0.000 0.440 4205 R N 0.446 120.942 120.500 -0.007 0.000 2.535 4205 R HA 0.314 4.653 4.340 -0.000 0.000 0.274 4205 R C -2.764 173.583 176.300 0.077 0.000 1.090 4205 R CA -2.121 54.053 56.100 0.123 0.000 0.930 4205 R CB 2.005 32.418 30.300 0.188 0.000 1.223 4205 R HN -0.156 nan 8.270 nan 0.000 0.441 4206 P HA 0.159 nan 4.420 nan 0.000 0.271 4206 P C -0.627 176.700 177.300 0.046 0.000 1.216 4206 P CA 0.045 63.198 63.100 0.088 0.000 0.776 4206 P CB 1.041 32.802 31.700 0.102 0.000 0.881 4207 I N 4.071 124.679 120.570 0.063 0.000 2.378 4207 I HA 0.396 4.565 4.170 -0.000 0.000 0.291 4207 I C 0.313 176.491 176.117 0.100 0.000 0.992 4207 I CA -0.891 60.404 61.300 -0.008 0.000 1.154 4207 I CB 1.451 39.394 38.000 -0.095 0.000 1.315 4207 I HN 0.140 nan 8.210 nan 0.000 0.448 4208 I N 6.906 127.492 120.570 0.027 0.000 2.382 4208 I HA 0.323 4.492 4.170 -0.000 0.000 0.286 4208 I C -0.576 175.582 176.117 0.068 0.000 1.002 4208 I CA -0.836 60.519 61.300 0.091 0.000 1.135 4208 I CB 1.900 39.931 38.000 0.051 0.000 1.288 4208 I HN 0.155 nan 8.210 nan 0.000 0.448 4209 V N 7.391 127.390 119.914 0.143 0.000 2.350 4209 V HA 0.372 4.491 4.120 -0.000 0.000 0.276 4209 V C 0.258 176.438 176.094 0.144 0.000 1.028 4209 V CA -0.408 61.975 62.300 0.137 0.000 0.860 4209 V CB 1.487 33.405 31.823 0.159 0.000 0.990 4209 V HN 0.505 nan 8.190 nan 0.000 0.453 4210 I N 5.431 126.082 120.570 0.135 0.000 2.291 4210 I HA 0.309 4.479 4.170 -0.000 0.000 0.290 4210 I C 0.634 176.842 176.117 0.152 0.000 1.050 4210 I CA 0.294 61.672 61.300 0.131 0.000 1.245 4210 I CB 1.131 39.203 38.000 0.119 0.000 1.405 4210 I HN 0.779 nan 8.210 nan 0.000 0.478 4211 S N 4.298 120.087 115.700 0.150 0.000 2.664 4211 S HA 0.431 4.901 4.470 -0.000 0.000 0.304 4211 S C -0.649 174.029 174.600 0.130 0.000 1.099 4211 S CA -1.048 57.263 58.200 0.185 0.000 1.003 4211 S CB 1.895 65.207 63.200 0.187 0.000 1.092 4211 S HN 0.586 nan 8.310 nan 0.000 0.525 4212 D N 0.100 120.578 120.400 0.129 0.000 2.312 4212 D HA 0.228 4.867 4.640 -0.000 0.000 0.252 4212 D C 0.404 176.743 176.300 0.065 0.000 1.150 4212 D CA -0.665 53.378 54.000 0.073 0.000 0.870 4212 D CB 1.428 42.251 40.800 0.038 0.000 1.153 4212 D HN 0.632 nan 8.370 nan 0.000 0.457 4213 K N 1.544 121.970 120.400 0.044 0.000 2.308 4213 K HA 0.129 4.448 4.320 -0.000 0.000 0.197 4213 K C 1.066 177.680 176.600 0.024 0.000 1.049 4213 K CA -0.005 56.302 56.287 0.033 0.000 0.991 4213 K CB -0.106 32.407 32.500 0.023 0.000 0.836 4213 K HN 0.262 nan 8.250 nan 0.000 0.500 4214 M N 1.972 121.585 119.600 0.021 0.000 2.921 4214 M HA 0.018 4.498 4.480 -0.000 0.000 0.319 4214 M C -0.303 176.007 176.300 0.017 0.000 1.710 4214 M CA 0.899 56.209 55.300 0.017 0.000 1.471 4214 M CB -0.928 31.681 32.600 0.016 0.000 1.832 4214 M HN 0.285 nan 8.290 nan 0.000 0.467 4215 L N 2.695 123.928 121.223 0.017 0.000 2.928 4215 L HA 0.212 4.551 4.340 -0.000 0.000 0.318 4215 L C 1.228 178.108 176.870 0.017 0.000 1.305 4215 L CA -0.103 54.749 54.840 0.020 0.000 0.756 4215 L CB 0.430 42.503 42.059 0.024 0.000 1.155 4215 L HN 0.581 nan 8.230 nan 0.000 0.561 4216 R N -0.706 119.802 120.500 0.014 0.000 2.237 4216 R HA -0.040 4.300 4.340 -0.000 0.000 0.219 4216 R C 1.674 177.982 176.300 0.013 0.000 1.080 4216 R CA 1.034 57.141 56.100 0.011 0.000 0.995 4216 R CB 0.121 30.426 30.300 0.009 0.000 0.875 4216 R HN 0.168 nan 8.270 nan 0.000 0.462 4217 S N 0.425 116.134 115.700 0.015 0.000 2.582 4217 S HA 0.198 4.668 4.470 -0.000 0.000 0.234 4217 S C 0.430 175.043 174.600 0.022 0.000 0.961 4217 S CA -0.472 57.738 58.200 0.016 0.000 0.953 4217 S CB 0.068 63.277 63.200 0.015 0.000 0.800 4217 S HN 0.169 nan 8.310 nan 0.000 0.471 4218 L N 1.805 123.043 121.223 0.025 0.000 2.467 4218 L HA 0.260 4.600 4.340 -0.000 0.000 0.270 4218 L C -0.106 176.783 176.870 0.031 0.000 1.205 4218 L CA 0.520 55.380 54.840 0.034 0.000 0.828 4218 L CB 0.564 42.644 42.059 0.034 0.000 1.101 4218 L HN 0.354 nan 8.230 nan 0.000 0.479 4219 E N 1.352 121.575 120.200 0.038 0.000 4.139 4219 E HA 0.057 4.407 4.350 -0.000 0.000 0.227 4219 E C -0.392 176.231 176.600 0.037 0.000 1.187 4219 E CA -0.072 56.347 56.400 0.031 0.000 1.324 4219 E CB 0.630 30.345 29.700 0.026 0.000 1.207 4219 E HN 0.587 nan 8.360 nan 0.000 0.422 4220 S N 0.128 115.853 115.700 0.041 0.000 2.596 4220 S HA 0.560 5.030 4.470 -0.000 0.000 0.248 4220 S C 0.718 175.336 174.600 0.029 0.000 1.162 4220 S CA -0.036 58.192 58.200 0.046 0.000 1.185 4220 S CB 0.497 63.732 63.200 0.059 0.000 0.833 4220 S HN 0.494 nan 8.310 nan 0.000 0.472 4227 L N 0.934 122.197 121.223 0.066 0.000 3.088 4227 L HA -0.139 4.200 4.340 -0.000 0.000 0.711 4227 L C -0.726 176.151 176.870 0.012 0.000 1.162 4227 L CA 0.593 55.466 54.840 0.054 0.000 1.304 4227 L CB -1.114 40.977 42.059 0.053 0.000 1.913 4227 L HN 0.109 nan 8.230 nan 0.000 0.917 4228 K N 2.435 122.864 120.400 0.048 0.000 2.155 4228 K HA 0.335 4.655 4.320 -0.000 0.000 0.240 4228 K C 1.285 177.954 176.600 0.115 0.000 1.193 4228 K CA 0.120 56.444 56.287 0.062 0.000 1.104 4228 K CB 0.384 32.923 32.500 0.066 0.000 1.558 4228 K HN 0.427 nan 8.250 nan 0.000 0.313 4229 V N 0.726 120.615 119.914 -0.041 0.000 2.591 4229 V HA -0.068 4.052 4.120 -0.000 0.000 0.249 4229 V C 1.428 177.555 176.094 0.055 0.000 1.053 4229 V CA 0.845 63.094 62.300 -0.084 0.000 1.068 4229 V CB -0.725 30.791 31.823 -0.511 0.000 0.689 4229 V HN 0.752 nan 8.190 nan 0.000 0.462 4230 G N 0.017 108.861 108.800 0.073 0.000 2.474 4230 G HA2 0.423 4.383 3.960 -0.000 0.000 0.233 4230 G HA3 0.423 4.383 3.960 -0.000 0.000 0.233 4230 G C 0.320 175.385 174.900 0.276 0.000 1.278 4230 G CA 0.822 46.014 45.100 0.154 0.000 0.861 4230 G HN 1.057 nan 8.290 nan 0.000 0.567 4231 G N -0.009 108.935 108.800 0.240 0.000 2.346 4231 G HA2 0.235 4.195 3.960 -0.000 0.000 0.294 4231 G HA3 0.235 4.195 3.960 -0.000 0.000 0.294 4231 G C -1.067 173.943 174.900 0.183 0.000 1.294 4231 G CA -0.700 44.530 45.100 0.217 0.000 0.962 4231 G HN 0.894 nan 8.290 nan 0.000 0.508 4232 I N 0.584 121.198 120.570 0.074 0.000 2.362 4232 I HA 0.431 4.601 4.170 -0.000 0.000 0.289 4232 I C -1.087 175.046 176.117 0.027 0.000 0.994 4232 I CA -0.689 60.663 61.300 0.086 0.000 1.158 4232 I CB 1.587 39.599 38.000 0.019 0.000 1.315 4232 I HN 0.391 nan 8.210 nan 0.000 0.451 4233 Y N 6.697 127.097 120.300 0.168 0.000 2.417 4233 Y HA 0.499 5.049 4.550 -0.000 0.000 0.336 4233 Y C -0.134 175.896 175.900 0.217 0.000 0.961 4233 Y CA -0.537 57.736 58.100 0.288 0.000 1.215 4233 Y CB 0.911 39.524 38.460 0.256 0.000 1.120 4233 Y HN 0.319 nan 8.280 nan 0.000 0.499 4234 L N 6.131 127.562 121.223 0.347 0.000 2.325 4234 L HA 0.430 4.770 4.340 -0.000 0.000 0.279 4234 L C -1.882 175.006 176.870 0.030 0.000 1.054 4234 L CA -2.153 52.733 54.840 0.077 0.000 0.804 4234 L CB 1.852 43.808 42.059 -0.172 0.000 1.200 4234 L HN 0.372 nan 8.230 nan 0.000 0.436 4235 P HA 0.002 nan 4.420 nan 0.000 0.225 4235 P C 0.779 178.121 177.300 0.069 0.000 1.768 4235 P CA -0.270 62.828 63.100 -0.004 0.000 0.943 4235 P CB 0.194 31.950 31.700 0.093 0.000 1.936 4236 L N 0.018 121.243 121.223 0.003 0.000 2.349 4236 L HA -0.148 4.192 4.340 -0.000 0.000 0.220 4236 L C 1.665 178.727 176.870 0.320 0.000 1.130 4236 L CA 1.718 56.652 54.840 0.156 0.000 0.791 4236 L CB -2.036 40.215 42.059 0.320 0.000 0.918 4236 L HN 0.310 nan 8.230 nan 0.000 0.444 4237 H N -2.747 116.354 119.070 0.052 0.000 2.556 4237 H HA 0.043 4.599 4.556 -0.000 0.000 0.268 4237 H C -0.352 174.845 175.328 -0.218 0.000 0.996 4237 H CA -0.070 55.890 56.048 -0.148 0.000 1.157 4237 H CB -0.247 29.314 29.762 -0.334 0.000 1.355 4237 H HN 0.197 nan 8.280 nan 0.000 0.597 4238 W N 0.078 121.457 121.300 0.131 0.000 3.029 4238 W HA 0.428 5.088 4.660 -0.000 0.000 0.339 4238 W C -2.408 174.231 176.519 0.200 0.000 1.198 4238 W CA -2.375 55.028 57.345 0.097 0.000 1.148 4238 W CB 0.959 30.460 29.460 0.069 0.000 1.451 4238 W HN -0.224 nan 8.180 nan 0.000 0.564 4239 P HA 0.227 nan 4.420 nan 0.000 0.286 4239 P C 0.134 177.489 177.300 0.092 0.000 1.261 4239 P CA -0.118 63.094 63.100 0.187 0.000 0.821 4239 P CB 1.584 33.339 31.700 0.091 0.000 1.013 4240 A N 3.126 125.773 122.820 -0.288 0.000 2.139 4240 A HA -0.248 4.072 4.320 -0.000 0.000 0.221 4240 A C 1.973 179.477 177.584 -0.133 0.000 1.159 4240 A CA 1.687 53.474 52.037 -0.417 0.000 0.662 4240 A CB -1.013 17.491 19.000 -0.827 0.000 0.796 4240 A HN 0.672 nan 8.150 nan 0.000 0.463 4241 Q N -0.759 118.998 119.800 -0.071 0.000 2.187 4241 Q HA -0.097 4.243 4.340 -0.000 0.000 0.199 4241 Q C 1.202 177.217 176.000 0.025 0.000 0.957 4241 Q CA 1.378 57.167 55.803 -0.023 0.000 0.857 4241 Q CB -0.150 28.582 28.738 -0.011 0.000 0.929 4241 Q HN 0.747 nan 8.270 nan 0.000 0.453 4242 E N -0.229 120.006 120.200 0.059 0.000 2.465 4242 E HA 0.086 4.436 4.350 -0.000 0.000 0.191 4242 E C -0.472 176.114 176.600 -0.024 0.000 1.053 4242 E CA -0.294 56.139 56.400 0.054 0.000 0.869 4242 E CB 0.460 30.241 29.700 0.135 0.000 0.977 4242 E HN 0.221 nan 8.360 nan 0.000 0.483 4243 C N -0.024 119.294 119.300 0.029 0.000 2.595 4243 C HA 0.370 4.830 4.460 -0.000 0.000 0.338 4243 C C -0.284 174.800 174.990 0.158 0.000 1.219 4243 C CA -1.235 57.810 59.018 0.044 0.000 1.811 4243 C CB 0.371 28.186 27.740 0.125 0.000 2.313 4243 C HN 0.252 nan 8.230 nan 0.000 0.499 4244 Y N 1.918 122.265 120.300 0.079 0.000 2.359 4244 Y HA 0.254 4.804 4.550 -0.001 0.000 0.334 4244 Y C 1.487 177.429 175.900 0.069 0.000 1.058 4244 Y CA -0.006 58.161 58.100 0.112 0.000 1.244 4244 Y CB 0.502 39.073 38.460 0.184 0.000 1.187 4244 Y HN 0.539 nan 8.280 nan 0.000 0.510 4245 R N 4.915 125.221 120.500 -0.324 0.000 2.325 4245 R HA 0.013 4.352 4.340 -0.000 0.000 0.214 4245 R C -1.077 174.917 176.300 -0.510 0.000 0.961 4245 R CA 0.217 56.100 56.100 -0.361 0.000 1.086 4245 R CB -0.336 29.708 30.300 -0.426 0.000 1.037 4245 R HN 0.588 nan 8.270 nan 0.000 0.493 4246 Y N 1.602 121.663 120.300 -0.399 0.000 2.352 4246 Y HA 0.301 4.850 4.550 -0.000 0.000 0.339 4246 Y C -1.808 174.102 175.900 0.015 0.000 0.992 4246 Y CA -2.563 55.409 58.100 -0.213 0.000 1.100 4246 Y CB 1.747 40.019 38.460 -0.313 0.000 1.192 4246 Y HN -0.027 nan 8.280 nan 0.000 0.458 4247 P HA 0.287 nan 4.420 nan 0.000 0.278 4247 P C -0.778 176.503 177.300 -0.031 0.000 1.266 4247 P CA -0.273 62.872 63.100 0.075 0.000 0.807 4247 P CB 1.858 33.578 31.700 0.033 0.000 1.094 4248 I N 0.574 121.010 120.570 -0.224 0.000 2.362 4248 I HA 0.209 4.378 4.170 -0.000 0.000 0.289 4248 I C -0.243 175.468 176.117 -0.676 0.000 0.994 4248 I CA -0.935 59.949 61.300 -0.694 0.000 1.158 4248 I CB 1.667 39.410 38.000 -0.429 0.000 1.315 4248 I HN -0.010 nan 8.210 nan 0.000 0.451 4249 V N 7.629 126.932 119.914 -1.017 0.000 2.370 4249 V HA 0.464 4.584 4.120 -0.000 0.000 0.279 4249 V C 0.083 176.024 176.094 -0.255 0.000 1.029 4249 V CA -0.525 61.542 62.300 -0.389 0.000 0.870 4249 V CB 1.204 32.951 31.823 -0.127 0.000 0.984 4249 V HN 0.478 nan 8.190 nan 0.000 0.451 4250 L N 3.675 124.840 121.223 -0.097 0.000 2.319 4250 L HA 0.911 5.251 4.340 -0.000 0.000 0.267 4250 L C 0.583 177.514 176.870 0.101 0.000 1.011 4250 L CA -0.594 54.257 54.840 0.018 0.000 0.818 4250 L CB 2.045 44.118 42.059 0.023 0.000 1.316 4250 L HN 0.727 nan 8.230 nan 0.000 0.432 4251 G N -0.098 108.780 108.800 0.130 0.000 2.453 4251 G HA2 0.579 4.539 3.960 -0.000 0.000 0.323 4251 G HA3 0.579 4.539 3.960 -0.000 0.000 0.323 4251 G C -2.269 172.733 174.900 0.171 0.000 1.198 4251 G CA -0.275 44.900 45.100 0.126 0.000 0.959 4251 G HN 0.473 nan 8.290 nan 0.000 0.482 4252 Y N 1.358 121.651 120.300 -0.011 0.000 2.401 4252 Y HA 0.372 4.922 4.550 -0.000 0.000 0.330 4252 Y C -0.242 175.602 175.900 -0.093 0.000 1.071 4252 Y CA -0.846 57.185 58.100 -0.116 0.000 1.049 4252 Y CB 2.003 40.387 38.460 -0.127 0.000 1.239 4252 Y HN 0.730 nan 8.280 nan 0.000 0.437 4253 D N 1.652 121.691 120.400 -0.602 0.000 3.443 4253 D HA 0.050 4.689 4.640 -0.000 0.000 0.199 4253 D C 1.269 177.286 176.300 -0.471 0.000 1.137 4253 D CA 0.835 54.630 54.000 -0.341 0.000 1.258 4253 D CB 0.141 40.843 40.800 -0.162 0.000 1.001 4253 D HN 0.553 nan 8.370 nan 0.000 0.320 4254 S N -0.550 114.977 115.700 -0.289 0.000 2.354 4254 S HA -0.213 4.257 4.470 -0.000 0.000 0.219 4254 S C 0.633 174.963 174.600 -0.451 0.000 1.035 4254 S CA 1.529 59.624 58.200 -0.174 0.000 1.037 4254 S CB -0.720 62.514 63.200 0.058 0.000 0.956 4254 S HN 0.637 nan 8.310 nan 0.000 0.428 4255 H N -0.311 118.529 119.070 -0.383 0.000 3.229 4255 H HA 0.482 5.037 4.556 -0.000 0.000 0.211 4255 H C -0.979 174.129 175.328 -0.367 0.000 1.364 4255 H CA -0.387 55.455 56.048 -0.344 0.000 1.270 4255 H CB 0.070 29.794 29.762 -0.064 0.000 2.309 4255 H HN 0.636 nan 8.280 nan 0.000 0.520 4256 H N -0.236 118.366 119.070 -0.779 0.000 2.865 4256 H HA 0.436 4.991 4.556 -0.000 0.000 0.362 4256 H C -1.586 173.435 175.328 -0.512 0.000 1.114 4256 H CA -0.948 54.828 56.048 -0.454 0.000 1.208 4256 H CB 0.727 30.356 29.762 -0.221 0.000 1.727 4256 H HN 0.071 nan 8.280 nan 0.000 0.534 4257 F N 3.641 123.333 119.950 -0.430 0.000 2.425 4257 F HA 0.608 5.135 4.527 -0.000 0.000 0.331 4257 F C -0.263 175.210 175.800 -0.546 0.000 1.085 4257 F CA -0.793 57.032 58.000 -0.293 0.000 1.028 4257 F CB 1.793 40.753 39.000 -0.067 0.000 1.177 4257 F HN 0.310 nan 8.300 nan 0.000 0.487 4258 V N 3.844 123.717 119.914 -0.068 0.000 3.012 4258 V HA 0.524 4.644 4.120 -0.000 0.000 0.307 4258 V C -2.471 173.653 176.094 0.050 0.000 1.166 4258 V CA -2.156 60.108 62.300 -0.060 0.000 0.974 4258 V CB 3.146 34.916 31.823 -0.090 0.000 1.040 4258 V HN 0.500 nan 8.190 nan 0.000 0.428 4259 P HA 0.381 nan 4.420 nan 0.000 0.286 4259 P C -1.090 176.299 177.300 0.148 0.000 1.261 4259 P CA -0.357 62.837 63.100 0.155 0.000 0.821 4259 P CB 1.325 33.136 31.700 0.185 0.000 1.013 4260 L N 3.045 124.403 121.223 0.226 0.000 2.426 4260 L HA 0.239 4.579 4.340 -0.000 0.000 0.255 4260 L C 0.643 177.678 176.870 0.275 0.000 1.080 4260 L CA -0.979 53.960 54.840 0.165 0.000 0.960 4260 L CB 0.918 43.046 42.059 0.115 0.000 1.326 4260 L HN 0.195 nan 8.230 nan 0.000 0.441 4261 V N -1.113 118.847 119.914 0.076 0.000 2.732 4261 V HA 0.441 4.560 4.120 -0.000 0.000 0.297 4261 V C 0.723 176.762 176.094 -0.092 0.000 1.060 4261 V CA -0.339 61.878 62.300 -0.139 0.000 1.038 4261 V CB 1.017 32.620 31.823 -0.367 0.000 1.003 4261 V HN 0.477 nan 8.190 nan 0.000 0.481 4262 T N 4.780 119.275 114.554 -0.098 0.000 2.813 4262 T HA 0.481 4.831 4.350 -0.000 0.000 0.297 4262 T C 0.038 174.663 174.700 -0.125 0.000 1.036 4262 T CA -0.197 61.855 62.100 -0.080 0.000 1.044 4262 T CB 0.787 69.622 68.868 -0.056 0.000 0.993 4262 T HN 0.623 nan 8.240 nan 0.000 0.535 4263 L N 1.604 122.759 121.223 -0.113 0.000 2.375 4263 L HA 0.327 4.667 4.340 -0.000 0.000 0.271 4263 L C 1.675 178.477 176.870 -0.113 0.000 1.107 4263 L CA -0.310 54.453 54.840 -0.128 0.000 0.806 4263 L CB 0.806 42.797 42.059 -0.113 0.000 1.146 4263 L HN 0.654 nan 8.230 nan 0.000 0.447 4264 K N 0.559 120.888 120.400 -0.119 0.000 2.031 4264 K HA -0.080 4.239 4.320 -0.000 0.000 0.205 4264 K C 0.159 176.706 176.600 -0.089 0.000 1.049 4264 K CA 1.467 57.690 56.287 -0.106 0.000 0.939 4264 K CB 0.189 32.620 32.500 -0.116 0.000 0.717 4264 K HN 0.654 nan 8.250 nan 0.000 0.438 4265 D N -0.587 119.763 120.400 -0.083 0.000 2.931 4265 D HA -0.008 4.631 4.640 -0.000 0.000 0.241 4265 D C -0.416 175.852 176.300 -0.053 0.000 1.494 4265 D CA 0.358 54.318 54.000 -0.067 0.000 1.260 4265 D CB -0.244 40.515 40.800 -0.068 0.000 0.953 4265 D HN 0.062 nan 8.370 nan 0.000 0.240 4266 S N 0.367 116.040 115.700 -0.045 0.000 3.115 4266 S HA 0.136 4.605 4.470 -0.000 0.000 0.379 4266 S C 0.870 175.449 174.600 -0.035 0.000 1.178 4266 S CA 0.405 58.584 58.200 -0.034 0.000 0.930 4266 S CB -0.894 62.287 63.200 -0.030 0.000 0.624 4266 S HN 1.013 nan 8.310 nan 0.000 0.434 4267 G N 3.139 111.923 108.800 -0.027 0.000 2.955 4267 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.604 4267 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.604 4267 G C -1.818 173.064 174.900 -0.029 0.000 1.572 4267 G CA -0.283 44.800 45.100 -0.027 0.000 1.016 4267 G HN 0.796 nan 8.290 nan 0.000 0.569 4268 P HA 0.200 nan 4.420 nan 0.000 0.255 4268 P C 0.488 177.769 177.300 -0.032 0.000 1.248 4268 P CA 0.213 63.297 63.100 -0.026 0.000 0.807 4268 P CB 0.330 32.018 31.700 -0.020 0.000 1.150 4269 E N 0.636 120.811 120.200 -0.041 0.000 2.418 4269 E HA 0.100 4.450 4.350 -0.000 0.000 0.261 4269 E C 0.700 177.270 176.600 -0.050 0.000 1.070 4269 E CA -0.010 56.358 56.400 -0.053 0.000 0.931 4269 E CB 0.021 29.681 29.700 -0.067 0.000 0.954 4269 E HN 0.239 nan 8.360 nan 0.000 0.439 4270 I N -1.664 118.875 120.570 -0.053 0.000 2.577 4270 I HA 0.398 4.568 4.170 -0.000 0.000 0.300 4270 I C -0.125 175.966 176.117 -0.043 0.000 0.990 4270 I CA -0.922 60.353 61.300 -0.041 0.000 1.283 4270 I CB 1.198 39.177 38.000 -0.034 0.000 1.411 4270 I HN 0.141 nan 8.210 nan 0.000 0.515 4271 R N 4.137 124.622 120.500 -0.025 0.000 2.272 4271 R HA 0.646 4.986 4.340 -0.000 0.000 0.334 4271 R C -0.652 175.652 176.300 0.006 0.000 1.117 4271 R CA -0.188 55.903 56.100 -0.016 0.000 0.966 4271 R CB 0.576 30.867 30.300 -0.016 0.000 1.049 4271 R HN 0.865 nan 8.270 nan 0.000 0.477 4272 A N 2.003 124.815 122.820 -0.014 0.000 2.605 4272 A HA 0.428 4.748 4.320 -0.000 0.000 0.294 4272 A C -1.584 175.981 177.584 -0.031 0.000 1.062 4272 A CA -0.619 51.413 52.037 -0.009 0.000 0.682 4272 A CB 2.144 21.126 19.000 -0.031 0.000 1.278 4272 A HN 0.383 nan 8.150 nan 0.000 0.410 4273 V N 3.181 123.088 119.914 -0.012 0.000 2.409 4273 V HA 0.611 4.730 4.120 -0.000 0.000 0.290 4273 V C -2.490 173.601 176.094 -0.005 0.000 1.017 4273 V CA -2.251 60.042 62.300 -0.011 0.000 0.841 4273 V CB 1.823 33.661 31.823 0.025 0.000 1.003 4273 V HN 0.780 nan 8.190 nan 0.000 0.426 4274 P HA 0.021 nan 4.420 nan 0.000 0.264 4274 P C 0.440 177.780 177.300 0.068 0.000 1.183 4274 P CA 0.326 63.445 63.100 0.032 0.000 0.763 4274 P CB 0.767 32.546 31.700 0.132 0.000 0.807 4275 L N 2.482 123.716 121.223 0.019 0.000 2.688 4275 L HA 0.117 4.457 4.340 -0.000 0.000 0.234 4275 L C 0.883 177.743 176.870 -0.018 0.000 1.192 4275 L CA -0.132 54.708 54.840 0.000 0.000 0.984 4275 L CB -0.125 41.920 42.059 -0.024 0.000 1.232 4275 L HN 0.260 nan 8.230 nan 0.000 0.465 4276 V N -5.019 114.895 119.914 0.001 0.000 3.130 4276 V HA 0.589 4.709 4.120 -0.000 0.000 0.310 4276 V C -0.740 175.338 176.094 -0.028 0.000 1.158 4276 V CA -1.007 61.270 62.300 -0.040 0.000 1.029 4276 V CB 2.277 34.019 31.823 -0.135 0.000 1.057 4276 V HN -0.032 nan 8.190 nan 0.000 0.436 4277 N N 1.657 120.320 118.700 -0.062 0.000 2.405 4277 N HA 0.399 5.139 4.740 -0.000 0.000 0.299 4277 N C -0.449 174.935 175.510 -0.209 0.000 1.075 4277 N CA -0.633 52.325 53.050 -0.153 0.000 0.884 4277 N CB 2.106 40.547 38.487 -0.078 0.000 1.194 4277 N HN 0.772 nan 8.380 nan 0.000 0.491 4278 R N 2.270 122.439 120.500 -0.552 0.000 4.154 4278 R HA 0.005 4.345 4.340 -0.000 0.000 0.186 4278 R C -0.278 175.906 176.300 -0.193 0.000 1.750 4278 R CA -0.194 55.639 56.100 -0.445 0.000 1.431 4278 R CB -1.070 28.727 30.300 -0.839 0.000 1.383 4278 R HN 0.574 nan 8.270 nan 0.000 0.788 4279 D N 1.394 121.750 120.400 -0.074 0.000 2.174 4279 D HA -0.138 4.501 4.640 -0.000 0.000 0.245 4279 D C -0.000 176.272 176.300 -0.047 0.000 1.301 4279 D CA 0.070 54.040 54.000 -0.050 0.000 0.959 4279 D CB 0.655 41.442 40.800 -0.021 0.000 1.231 4279 D HN 0.470 nan 8.370 nan 0.000 0.535 4280 R N -0.152 120.324 120.500 -0.041 0.000 2.609 4280 R HA 0.406 4.746 4.340 -0.000 0.000 0.271 4280 R C 0.995 177.260 176.300 -0.058 0.000 1.403 4280 R CA 0.125 56.202 56.100 -0.038 0.000 1.138 4280 R CB -0.592 29.687 30.300 -0.035 0.000 1.142 4280 R HN 0.514 nan 8.270 nan 0.000 0.559 4281 G N 2.292 111.069 108.800 -0.039 0.000 2.320 4281 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.242 4281 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.242 4281 G C 0.169 174.878 174.900 -0.318 0.000 1.033 4281 G CA 0.198 45.228 45.100 -0.117 0.000 0.620 4281 G HN 0.575 nan 8.290 nan 0.000 0.517 4282 R N -0.793 119.595 120.500 -0.187 0.000 2.856 4282 R HA 0.710 5.050 4.340 -0.000 0.000 0.258 4282 R C -0.832 175.461 176.300 -0.013 0.000 1.066 4282 R CA -0.887 55.102 56.100 -0.186 0.000 1.045 4282 R CB 1.041 31.262 30.300 -0.131 0.000 1.178 4282 R HN 0.089 nan 8.270 nan 0.000 0.499 4283 F N 1.125 121.101 119.950 0.045 0.000 2.308 4283 F HA 0.186 4.712 4.527 -0.000 0.000 0.370 4283 F C 0.429 176.200 175.800 -0.048 0.000 1.100 4283 F CA -0.762 57.231 58.000 -0.012 0.000 1.108 4283 F CB 1.383 40.370 39.000 -0.020 0.000 1.293 4283 F HN 0.362 nan 8.300 nan 0.000 0.478 4284 E N 3.098 123.379 120.200 0.134 0.000 2.283 4284 E HA 0.098 4.448 4.350 -0.000 0.000 0.278 4284 E C -0.577 176.031 176.600 0.014 0.000 1.027 4284 E CA -0.449 55.982 56.400 0.051 0.000 0.843 4284 E CB 0.609 30.322 29.700 0.021 0.000 1.062 4284 E HN 0.340 nan 8.360 nan 0.000 0.401 4285 D N 2.527 122.920 120.400 -0.011 0.000 2.423 4285 D HA 0.025 4.665 4.640 -0.000 0.000 0.238 4285 D C -0.183 176.058 176.300 -0.098 0.000 1.142 4285 D CA -0.104 53.856 54.000 -0.068 0.000 0.884 4285 D CB 0.560 41.295 40.800 -0.108 0.000 1.199 4285 D HN 0.304 nan 8.370 nan 0.000 0.438 4286 L N 2.055 123.207 121.223 -0.119 0.000 2.439 4286 L HA 0.077 4.417 4.340 -0.000 0.000 0.269 4286 L C 0.810 177.535 176.870 -0.242 0.000 1.179 4286 L CA 0.297 55.070 54.840 -0.111 0.000 0.828 4286 L CB 0.423 42.444 42.059 -0.063 0.000 1.106 4286 L HN 0.255 nan 8.230 nan 0.000 0.467 4287 K N 2.178 122.480 120.400 -0.163 0.000 2.368 4287 K HA 0.288 4.608 4.320 -0.000 0.000 0.282 4287 K C -1.212 175.218 176.600 -0.284 0.000 1.035 4287 K CA -0.395 55.760 56.287 -0.221 0.000 0.973 4287 K CB 0.597 33.049 32.500 -0.079 0.000 0.957 4287 K HN 0.394 nan 8.250 nan 0.000 0.474 4288 V N 5.599 125.248 119.914 -0.441 0.000 2.328 4288 V HA 0.131 4.251 4.120 -0.000 0.000 0.278 4288 V C -0.483 175.574 176.094 -0.062 0.000 1.021 4288 V CA -0.826 61.352 62.300 -0.203 0.000 0.838 4288 V CB 0.500 32.185 31.823 -0.230 0.000 0.999 4288 V HN 0.801 nan 8.190 nan 0.000 0.447 4289 H N 4.367 123.227 119.070 -0.350 0.000 2.771 4289 H HA 0.329 4.884 4.556 -0.000 0.000 0.364 4289 H C 0.325 175.399 175.328 -0.424 0.000 1.133 4289 H CA -0.093 55.617 56.048 -0.563 0.000 1.423 4289 H CB 0.038 29.220 29.762 -0.967 0.000 1.425 4289 H HN 0.608 nan 8.280 nan 0.000 0.606 4290 F N -1.074 118.681 119.950 -0.326 0.000 3.048 4290 F HA -0.257 4.270 4.527 -0.000 0.000 0.269 4290 F C -0.256 175.399 175.800 -0.241 0.000 0.960 4290 F CA -0.010 57.762 58.000 -0.380 0.000 0.909 4290 F CB -1.909 36.644 39.000 -0.745 0.000 0.837 4290 F HN 0.271 nan 8.300 nan 0.000 0.768 4291 L N 0.032 121.228 121.223 -0.046 0.000 2.399 4291 L HA 0.478 4.817 4.340 -0.000 0.000 0.266 4291 L C 1.088 177.974 176.870 0.026 0.000 1.114 4291 L CA -0.407 54.462 54.840 0.048 0.000 0.804 4291 L CB 1.354 43.470 42.059 0.096 0.000 1.146 4291 L HN 0.329 nan 8.230 nan 0.000 0.451 4292 T N -3.037 111.571 114.554 0.090 0.000 2.918 4292 T HA 0.159 4.509 4.350 -0.000 0.000 0.283 4292 T C 0.573 175.296 174.700 0.038 0.000 1.001 4292 T CA -0.686 61.471 62.100 0.096 0.000 1.041 4292 T CB 1.293 70.257 68.868 0.161 0.000 1.028 4292 T HN 0.570 nan 8.240 nan 0.000 0.511 4293 D N 1.911 122.321 120.400 0.016 0.000 2.149 4293 D HA -0.052 4.588 4.640 -0.000 0.000 0.194 4293 D C -0.959 175.347 176.300 0.011 0.000 1.001 4293 D CA 1.640 55.632 54.000 -0.013 0.000 0.849 4293 D CB -1.227 39.561 40.800 -0.019 0.000 0.939 4293 D HN 0.493 nan 8.370 nan 0.000 0.449 4294 P HA -0.141 nan 4.420 nan 0.000 0.213 4294 P C 1.015 178.346 177.300 0.052 0.000 1.170 4294 P CA 1.278 64.399 63.100 0.034 0.000 0.898 4294 P CB 0.038 31.758 31.700 0.033 0.000 0.787 4295 E N -0.702 119.542 120.200 0.074 0.000 2.085 4295 E HA -0.243 4.107 4.350 -0.000 0.000 0.194 4295 E C 2.043 178.709 176.600 0.110 0.000 0.994 4295 E CA 1.060 57.520 56.400 0.101 0.000 0.801 4295 E CB -0.774 29.003 29.700 0.128 0.000 0.743 4295 E HN 0.360 nan 8.360 nan 0.000 0.453 4296 N N 0.583 119.341 118.700 0.097 0.000 2.192 4296 N HA -0.224 4.515 4.740 -0.000 0.000 0.188 4296 N C 1.496 177.080 175.510 0.124 0.000 1.013 4296 N CA 0.904 54.031 53.050 0.129 0.000 0.863 4296 N CB 0.178 38.663 38.487 -0.004 0.000 0.990 4296 N HN 0.129 nan 8.380 nan 0.000 0.430 4297 E N 0.925 121.169 120.200 0.073 0.000 2.072 4297 E HA -0.159 4.190 4.350 -0.000 0.000 0.190 4297 E C 1.690 178.330 176.600 0.067 0.000 0.982 4297 E CA 1.006 57.441 56.400 0.059 0.000 0.803 4297 E CB -0.305 29.417 29.700 0.036 0.000 0.755 4297 E HN 0.712 nan 8.360 nan 0.000 0.453 4298 M N 0.632 120.275 119.600 0.071 0.000 2.626 4298 M HA 0.265 4.745 4.480 -0.000 0.000 0.262 4298 M C 1.370 177.719 176.300 0.082 0.000 1.256 4298 M CA -0.040 55.300 55.300 0.068 0.000 0.981 4298 M CB 0.077 32.715 32.600 0.063 0.000 1.492 4298 M HN -0.172 nan 8.290 nan 0.000 0.474 4299 K N 0.388 120.845 120.400 0.095 0.000 2.063 4299 K HA -0.160 4.160 4.320 -0.000 0.000 0.208 4299 K C 1.704 178.331 176.600 0.044 0.000 1.048 4299 K CA 1.727 58.065 56.287 0.083 0.000 0.928 4299 K CB -0.448 32.106 32.500 0.090 0.000 0.713 4299 K HN 0.433 nan 8.250 nan 0.000 0.442 4300 E N 1.146 121.364 120.200 0.029 0.000 2.209 4300 E HA -0.180 4.170 4.350 -0.000 0.000 0.196 4300 E C 1.431 178.050 176.600 0.033 0.000 0.993 4300 E CA 1.298 57.708 56.400 0.017 0.000 0.819 4300 E CB 0.177 29.888 29.700 0.017 0.000 0.745 4300 E HN 0.310 nan 8.360 nan 0.000 0.477 4301 K N 0.164 120.592 120.400 0.047 0.000 2.044 4301 K HA 0.020 4.339 4.320 -0.000 0.000 0.204 4301 K C 2.205 178.850 176.600 0.074 0.000 1.049 4301 K CA 0.563 56.879 56.287 0.048 0.000 0.945 4301 K CB -0.495 32.033 32.500 0.046 0.000 0.724 4301 K HN 0.112 nan 8.250 nan 0.000 0.440 4302 L N 0.466 121.764 121.223 0.126 0.000 2.042 4302 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 4302 L C 2.177 179.210 176.870 0.272 0.000 1.076 4302 L CA 1.177 56.166 54.840 0.249 0.000 0.749 4302 L CB -0.631 41.594 42.059 0.277 0.000 0.893 4302 L HN 0.121 nan 8.230 nan 0.000 0.432 4303 L N -0.258 121.053 121.223 0.147 0.000 2.046 4303 L HA -0.206 4.133 4.340 -0.000 0.000 0.208 4303 L C 2.589 179.503 176.870 0.074 0.000 1.077 4303 L CA 1.401 56.305 54.840 0.106 0.000 0.747 4303 L CB -0.480 41.600 42.059 0.034 0.000 0.896 4303 L HN 0.215 nan 8.230 nan 0.000 0.432 4304 K N -0.358 120.066 120.400 0.040 0.000 2.365 4304 K HA -0.179 4.141 4.320 -0.000 0.000 0.199 4304 K C 1.880 178.466 176.600 -0.024 0.000 1.045 4304 K CA 0.889 57.177 56.287 0.001 0.000 0.962 4304 K CB 0.060 32.557 32.500 -0.004 0.000 0.759 4304 K HN 0.408 nan 8.250 nan 0.000 0.469 4305 E N 0.062 120.253 120.200 -0.014 0.000 2.075 4305 E HA -0.097 4.252 4.350 -0.000 0.000 0.190 4305 E C 1.139 177.623 176.600 -0.194 0.000 0.969 4305 E CA 0.650 56.974 56.400 -0.127 0.000 0.815 4305 E CB 0.078 29.676 29.700 -0.169 0.000 0.776 4305 E HN 0.303 nan 8.360 nan 0.000 0.457 4306 Y N 0.216 120.516 120.300 -0.000 0.000 2.523 4306 Y HA 0.267 4.817 4.550 -0.000 0.000 0.279 4306 Y C 0.667 176.541 175.900 -0.044 0.000 1.139 4306 Y CA 0.142 58.243 58.100 0.002 0.000 1.296 4306 Y CB 0.632 39.123 38.460 0.052 0.000 1.045 4306 Y HN -0.018 nan 8.280 nan 0.000 0.538 4307 L N -0.625 120.637 121.223 0.065 0.000 2.327 4307 L HA 0.449 4.789 4.340 -0.000 0.000 0.258 4307 L C -0.578 176.227 176.870 -0.108 0.000 1.024 4307 L CA -1.058 53.760 54.840 -0.037 0.000 0.825 4307 L CB 2.191 44.252 42.059 0.004 0.000 1.386 4307 L HN -0.133 nan 8.230 nan 0.000 0.417 4308 M N 2.215 121.703 119.600 -0.186 0.000 2.852 4308 M HA 0.266 4.746 4.480 -0.000 0.000 0.321 4308 M C -0.904 175.337 176.300 -0.099 0.000 1.337 4308 M CA -0.528 54.663 55.300 -0.181 0.000 1.406 4308 M CB 0.660 33.077 32.600 -0.305 0.000 1.152 4308 M HN 0.167 nan 8.290 nan 0.000 0.508 4309 V N 4.535 124.412 119.914 -0.062 0.000 2.637 4309 V HA 0.367 4.487 4.120 -0.000 0.000 0.296 4309 V C 0.219 176.296 176.094 -0.030 0.000 1.046 4309 V CA -0.254 62.025 62.300 -0.035 0.000 1.066 4309 V CB 0.497 32.308 31.823 -0.021 0.000 0.968 4309 V HN 0.733 nan 8.190 nan 0.000 0.483 4310 I N 0.793 121.350 120.570 -0.022 0.000 2.969 4310 I HA 0.729 4.898 4.170 -0.000 0.000 0.307 4310 I C -0.734 175.376 176.117 -0.011 0.000 1.149 4310 I CA -0.996 60.294 61.300 -0.016 0.000 1.008 4310 I CB 2.636 40.627 38.000 -0.016 0.000 1.232 4310 I HN 0.501 nan 8.210 nan 0.000 0.435 4311 E N 4.052 124.249 120.200 -0.004 0.000 2.175 4311 E HA 0.657 5.006 4.350 -0.000 0.000 0.278 4311 E C -1.192 175.408 176.600 -0.001 0.000 0.969 4311 E CA -0.640 55.763 56.400 0.005 0.000 0.796 4311 E CB 2.723 32.434 29.700 0.019 0.000 1.104 4311 E HN 0.458 nan 8.360 nan 0.000 0.395 4312 I N 3.671 124.238 120.570 -0.004 0.000 2.466 4312 I HA 0.253 4.423 4.170 -0.000 0.000 0.289 4312 I C -2.459 173.662 176.117 0.006 0.000 1.026 4312 I CA -2.607 58.684 61.300 -0.016 0.000 1.078 4312 I CB 2.182 40.150 38.000 -0.053 0.000 1.249 4312 I HN 0.194 nan 8.210 nan 0.000 0.429 4313 P HA 0.093 nan 4.420 nan 0.000 0.273 4313 P C -0.419 176.897 177.300 0.025 0.000 1.319 4313 P CA 0.086 63.207 63.100 0.036 0.000 0.885 4313 P CB 0.665 32.379 31.700 0.023 0.000 1.015 4314 V N 4.391 124.341 119.914 0.060 0.000 2.837 4314 V HA 0.227 4.347 4.120 -0.000 0.000 0.310 4314 V C 0.083 176.210 176.094 0.055 0.000 1.059 4314 V CA -0.678 61.654 62.300 0.054 0.000 1.004 4314 V CB 1.335 33.225 31.823 0.112 0.000 1.045 4314 V HN 0.406 nan 8.190 nan 0.000 0.465 4315 Q N 3.313 123.123 119.800 0.016 0.000 2.315 4315 Q HA 0.246 4.586 4.340 -0.000 0.000 0.289 4315 Q C 0.801 176.667 176.000 -0.223 0.000 1.044 4315 Q CA 0.633 56.404 55.803 -0.055 0.000 0.920 4315 Q CB 0.573 29.282 28.738 -0.048 0.000 1.214 4315 Q HN 0.990 nan 8.270 nan 0.000 0.392 4316 G N 1.575 110.186 108.800 -0.314 0.000 2.522 4316 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.223 4316 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.223 4316 G C -0.652 173.573 174.900 -1.124 0.000 1.565 4316 G CA -0.634 43.992 45.100 -0.790 0.000 1.053 4316 G HN 0.756 nan 8.290 nan 0.000 0.547 4317 W N 1.152 122.138 121.300 -0.523 0.000 1.818 4317 W HA 0.286 4.946 4.660 -0.000 0.000 0.334 4317 W C -0.412 175.555 176.519 -0.921 0.000 0.753 4317 W CA -0.534 56.427 57.345 -0.639 0.000 1.826 4317 W CB -0.528 28.740 29.460 -0.320 0.000 2.001 4317 W HN 0.452 nan 8.180 nan 0.000 0.324 4318 D N 1.942 122.050 120.400 -0.486 0.000 2.737 4318 D HA -0.229 4.411 4.640 -0.000 0.000 0.238 4318 D C -0.105 176.102 176.300 -0.156 0.000 1.157 4318 D CA 1.484 55.340 54.000 -0.241 0.000 0.694 4318 D CB -1.653 39.087 40.800 -0.100 0.000 1.021 4318 D HN 0.677 nan 8.370 nan 0.000 0.420 4319 H N -3.078 116.039 119.070 0.079 0.000 3.410 4319 H HA 0.432 4.988 4.556 -0.000 0.000 0.245 4319 H C 1.109 176.482 175.328 0.075 0.000 1.269 4319 H CA -0.574 55.523 56.048 0.082 0.000 1.402 4319 H CB -0.198 29.631 29.762 0.112 0.000 2.429 4319 H HN 0.132 nan 8.280 nan 0.000 0.604 4320 G N 0.644 109.572 108.800 0.213 0.000 2.271 4320 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.277 4320 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.277 4320 G C 0.480 175.490 174.900 0.183 0.000 1.004 4320 G CA 1.370 46.562 45.100 0.154 0.000 0.679 4320 G HN 0.779 nan 8.290 nan 0.000 0.540 4321 T N 0.491 115.256 114.554 0.351 0.000 2.922 4321 T HA 0.607 4.957 4.350 -0.000 0.000 0.285 4321 T C 0.456 175.276 174.700 0.200 0.000 1.005 4321 T CA 0.611 62.891 62.100 0.300 0.000 1.061 4321 T CB 1.572 70.693 68.868 0.422 0.000 1.007 4321 T HN 0.863 nan 8.240 nan 0.000 0.502 4322 T N 0.386 115.030 114.554 0.150 0.000 2.921 4322 T HA 0.442 4.792 4.350 -0.000 0.000 0.297 4322 T C -1.157 173.630 174.700 0.145 0.000 1.013 4322 T CA -0.886 61.268 62.100 0.090 0.000 0.990 4322 T CB 1.375 70.280 68.868 0.063 0.000 1.023 4322 T HN 0.572 nan 8.240 nan 0.000 0.447 4323 H N 2.430 121.562 119.070 0.104 0.000 2.533 4323 H HA 0.652 5.208 4.556 -0.000 0.000 0.343 4323 H C -1.249 174.195 175.328 0.193 0.000 1.160 4323 H CA -1.031 55.170 56.048 0.255 0.000 1.218 4323 H CB 1.900 31.966 29.762 0.506 0.000 1.566 4323 H HN 0.582 nan 8.280 nan 0.000 0.522 4324 L N 5.560 127.038 121.223 0.424 0.000 2.272 4324 L HA 0.340 4.679 4.340 -0.000 0.000 0.289 4324 L C -0.214 176.857 176.870 0.334 0.000 1.032 4324 L CA -0.310 54.696 54.840 0.277 0.000 0.810 4324 L CB -0.076 42.062 42.059 0.132 0.000 1.205 4324 L HN 0.516 nan 8.230 nan 0.000 0.422 4325 I N 1.128 121.768 120.570 0.118 0.000 2.957 4325 I HA 0.613 4.783 4.170 -0.000 0.000 0.310 4325 I C -0.615 175.489 176.117 -0.022 0.000 1.063 4325 I CA -0.950 60.340 61.300 -0.015 0.000 1.033 4325 I CB 1.991 39.833 38.000 -0.263 0.000 1.230 4325 I HN 0.379 nan 8.210 nan 0.000 0.447 4326 N N 2.811 121.490 118.700 -0.035 0.000 2.499 4326 N HA 0.651 5.391 4.740 -0.000 0.000 0.281 4326 N C -0.873 174.617 175.510 -0.034 0.000 1.098 4326 N CA -0.199 52.837 53.050 -0.025 0.000 0.979 4326 N CB 1.822 40.299 38.487 -0.017 0.000 1.121 4326 N HN 0.840 nan 8.380 nan 0.000 0.466 4327 A N 0.699 123.502 122.820 -0.028 0.000 2.486 4327 A HA 0.761 5.081 4.320 -0.000 0.000 0.300 4327 A C -0.890 176.684 177.584 -0.016 0.000 1.048 4327 A CA -0.781 51.240 52.037 -0.026 0.000 0.696 4327 A CB 1.288 20.261 19.000 -0.045 0.000 1.278 4327 A HN 0.611 nan 8.150 nan 0.000 0.405 4328 A N 2.203 125.020 122.820 -0.004 0.000 2.301 4328 A HA 0.606 4.926 4.320 -0.000 0.000 0.298 4328 A C 0.199 177.800 177.584 0.027 0.000 1.185 4328 A CA -0.525 51.513 52.037 0.001 0.000 0.830 4328 A CB 0.308 19.314 19.000 0.010 0.000 1.112 4328 A HN 0.620 nan 8.150 nan 0.000 0.508 4329 K N 2.035 122.454 120.400 0.032 0.000 2.401 4329 K HA 0.217 4.536 4.320 -0.000 0.000 0.278 4329 K C -0.593 176.171 176.600 0.273 0.000 1.018 4329 K CA 0.355 56.714 56.287 0.121 0.000 0.981 4329 K CB 0.294 32.871 32.500 0.130 0.000 0.933 4329 K HN 0.665 nan 8.250 nan 0.000 0.477 4330 L N 2.857 124.206 121.223 0.209 0.000 2.307 4330 L HA 0.145 4.485 4.340 -0.000 0.000 0.282 4330 L C 0.613 177.467 176.870 -0.028 0.000 1.051 4330 L CA -0.857 54.089 54.840 0.176 0.000 0.804 4330 L CB 1.247 43.365 42.059 0.099 0.000 1.197 4330 L HN 0.596 nan 8.230 nan 0.000 0.431 4331 D N 2.272 122.518 120.400 -0.256 0.000 2.378 4331 D HA 0.046 4.686 4.640 -0.000 0.000 0.238 4331 D C -0.312 175.808 176.300 -0.299 0.000 1.180 4331 D CA 0.036 53.597 54.000 -0.730 0.000 0.895 4331 D CB 0.783 41.327 40.800 -0.428 0.000 1.192 4331 D HN 0.545 nan 8.370 nan 0.000 0.438 4332 E N 0.450 120.483 120.200 -0.278 0.000 2.212 4332 E HA 0.607 4.956 4.350 -0.000 0.000 0.270 4332 E C -0.792 175.751 176.600 -0.095 0.000 0.956 4332 E CA -1.428 54.885 56.400 -0.145 0.000 0.825 4332 E CB 1.191 30.822 29.700 -0.115 0.000 1.167 4332 E HN 0.414 nan 8.360 nan 0.000 0.400 4333 A N 2.969 125.740 122.820 -0.081 0.000 2.583 4333 A HA -0.059 4.261 4.320 -0.000 0.000 0.249 4333 A C 0.066 177.644 177.584 -0.009 0.000 1.035 4333 A CA 0.331 52.335 52.037 -0.055 0.000 0.777 4333 A CB -0.638 18.321 19.000 -0.068 0.000 0.942 4333 A HN 0.751 nan 8.150 nan 0.000 0.516 4334 N N 1.711 120.441 118.700 0.050 0.000 2.240 4334 N HA 0.157 4.896 4.740 -0.000 0.000 0.240 4334 N C -0.717 174.910 175.510 0.195 0.000 1.277 4334 N CA -0.270 52.851 53.050 0.118 0.000 0.873 4334 N CB -0.237 38.333 38.487 0.138 0.000 1.222 4334 N HN 0.463 nan 8.380 nan 0.000 0.507 4335 L N 1.429 122.679 121.223 0.045 0.000 2.361 4335 L HA 0.383 4.723 4.340 -0.000 0.000 0.278 4335 L C -2.003 174.799 176.870 -0.115 0.000 1.113 4335 L CA -1.584 53.149 54.840 -0.178 0.000 0.849 4335 L CB 0.616 42.543 42.059 -0.220 0.000 1.155 4335 L HN -0.125 nan 8.230 nan 0.000 0.452 4336 P HA -0.014 nan 4.420 nan 0.000 0.269 4336 P C 0.189 177.447 177.300 -0.070 0.000 1.209 4336 P CA -0.305 62.765 63.100 -0.051 0.000 0.776 4336 P CB 0.707 32.393 31.700 -0.023 0.000 0.876 4337 K N 4.234 124.615 120.400 -0.033 0.000 2.059 4337 K HA -0.256 4.064 4.320 -0.000 0.000 0.212 4337 K C 1.607 178.187 176.600 -0.033 0.000 1.050 4337 K CA 2.144 58.416 56.287 -0.025 0.000 0.927 4337 K CB -0.749 31.746 32.500 -0.008 0.000 0.714 4337 K HN 0.547 nan 8.250 nan 0.000 0.447 4338 E N 1.156 121.333 120.200 -0.038 0.000 2.396 4338 E HA -0.187 4.162 4.350 -0.000 0.000 0.200 4338 E C 1.216 177.779 176.600 -0.062 0.000 1.023 4338 E CA 1.610 57.986 56.400 -0.040 0.000 0.857 4338 E CB -0.336 29.343 29.700 -0.036 0.000 0.775 4338 E HN 0.749 nan 8.360 nan 0.000 0.525 4339 I N -2.007 118.504 120.570 -0.097 0.000 3.813 4339 I HA 0.344 4.513 4.170 -0.000 0.000 0.323 4339 I C 0.103 176.151 176.117 -0.115 0.000 1.536 4339 I CA -0.718 60.503 61.300 -0.130 0.000 1.083 4339 I CB 0.085 37.945 38.000 -0.234 0.000 1.265 4339 I HN -0.203 nan 8.210 nan 0.000 0.507 4340 N N 2.402 121.061 118.700 -0.068 0.000 2.527 4340 N HA 0.356 5.095 4.740 -0.000 0.000 0.236 4340 N C 0.414 175.937 175.510 0.020 0.000 0.999 4340 N CA -0.245 52.783 53.050 -0.036 0.000 0.935 4340 N CB 1.472 39.940 38.487 -0.032 0.000 1.132 4340 N HN 0.406 nan 8.380 nan 0.000 0.511 4341 L N 2.796 124.046 121.223 0.045 0.000 2.341 4341 L HA 0.001 4.341 4.340 -0.000 0.000 0.214 4341 L C 1.979 178.940 176.870 0.151 0.000 1.115 4341 L CA 0.363 55.265 54.840 0.103 0.000 0.820 4341 L CB 0.139 42.273 42.059 0.125 0.000 0.944 4341 L HN 0.328 nan 8.230 nan 0.000 0.452 4342 V N -0.566 119.422 119.914 0.123 0.000 2.427 4342 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 4342 V C 1.988 178.229 176.094 0.245 0.000 1.051 4342 V CA 1.621 64.041 62.300 0.200 0.000 1.048 4342 V CB -0.462 31.439 31.823 0.129 0.000 0.666 4342 V HN 0.381 nan 8.190 nan 0.000 0.456 4343 D N 0.357 120.845 120.400 0.146 0.000 2.097 4343 D HA -0.145 4.495 4.640 -0.000 0.000 0.195 4343 D C 1.931 178.330 176.300 0.165 0.000 0.989 4343 D CA 1.451 55.531 54.000 0.134 0.000 0.827 4343 D CB -0.332 40.510 40.800 0.070 0.000 0.966 4343 D HN 0.403 nan 8.370 nan 0.000 0.456 4344 D N -0.594 119.890 120.400 0.140 0.000 2.097 4344 D HA -0.177 4.463 4.640 -0.000 0.000 0.195 4344 D C 1.913 178.296 176.300 0.139 0.000 0.989 4344 D CA 0.745 54.812 54.000 0.112 0.000 0.827 4344 D CB -0.596 40.263 40.800 0.098 0.000 0.966 4344 D HN 0.312 nan 8.370 nan 0.000 0.456 4345 Y N -0.352 119.997 120.300 0.083 0.000 2.274 4345 Y HA -0.213 4.337 4.550 -0.000 0.000 0.290 4345 Y C 2.118 178.010 175.900 -0.013 0.000 1.145 4345 Y CA 1.023 59.172 58.100 0.082 0.000 1.203 4345 Y CB -0.162 38.411 38.460 0.187 0.000 0.984 4345 Y HN -0.102 nan 8.280 nan 0.000 0.533 4346 F N 1.139 121.081 119.950 -0.012 0.000 2.186 4346 F HA -0.150 4.377 4.527 -0.001 0.000 0.299 4346 F C 2.058 177.755 175.800 -0.171 0.000 1.090 4346 F CA 1.933 59.703 58.000 -0.384 0.000 1.307 4346 F CB -0.332 38.400 39.000 -0.447 0.000 1.019 4346 F HN 0.082 nan 8.300 nan 0.000 0.489 4347 E N -0.170 120.010 120.200 -0.033 0.000 2.153 4347 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 4347 E C 2.091 178.630 176.600 -0.101 0.000 0.988 4347 E CA 1.186 57.548 56.400 -0.062 0.000 0.811 4347 E CB -0.239 29.461 29.700 0.001 0.000 0.746 4347 E HN 0.308 nan 8.360 nan 0.000 0.466 4348 L N 0.111 121.255 121.223 -0.131 0.000 1.994 4348 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 4348 L C 2.317 179.134 176.870 -0.088 0.000 1.071 4348 L CA 1.259 56.023 54.840 -0.128 0.000 0.745 4348 L CB -0.609 41.285 42.059 -0.275 0.000 0.892 4348 L HN 0.034 nan 8.230 nan 0.000 0.431 4349 V N -1.174 118.623 119.914 -0.196 0.000 2.490 4349 V HA -0.307 3.812 4.120 -0.000 0.000 0.250 4349 V C 2.451 178.564 176.094 0.030 0.000 1.061 4349 V CA 1.609 63.865 62.300 -0.073 0.000 1.064 4349 V CB -0.709 31.029 31.823 -0.141 0.000 0.670 4349 V HN 0.513 nan 8.190 nan 0.000 0.461 4350 Q N -0.341 119.361 119.800 -0.164 0.000 2.124 4350 Q HA -0.265 4.075 4.340 -0.000 0.000 0.202 4350 Q C 2.269 178.323 176.000 0.090 0.000 0.977 4350 Q CA 2.205 57.975 55.803 -0.055 0.000 0.850 4350 Q CB -0.160 28.477 28.738 -0.169 0.000 0.901 4350 Q HN 0.856 nan 8.270 nan 0.000 0.429 4351 H N 0.104 119.153 119.070 -0.034 0.000 2.307 4351 H HA -0.023 4.533 4.556 -0.001 0.000 0.303 4351 H C 1.558 176.876 175.328 -0.017 0.000 1.073 4351 H CA 1.777 57.808 56.048 -0.028 0.000 1.338 4351 H CB 0.185 29.923 29.762 -0.041 0.000 1.389 4351 H HN 0.207 nan 8.280 nan 0.000 0.503 4352 E N -0.210 119.976 120.200 -0.023 0.000 2.333 4352 E HA -0.194 4.156 4.350 -0.000 0.000 0.198 4352 E C 1.690 178.242 176.600 -0.080 0.000 1.007 4352 E CA 0.674 57.052 56.400 -0.036 0.000 0.845 4352 E CB -0.393 29.412 29.700 0.175 0.000 0.766 4352 E HN 0.627 nan 8.360 nan 0.000 0.507 4353 Y N 2.123 122.251 120.300 -0.287 0.000 2.206 4353 Y HA -0.070 4.480 4.550 -0.000 0.000 0.292 4353 Y C 1.930 177.575 175.900 -0.424 0.000 1.123 4353 Y CA 1.403 59.096 58.100 -0.679 0.000 1.142 4353 Y CB -0.058 37.944 38.460 -0.763 0.000 1.006 4353 Y HN -0.165 nan 8.280 nan 0.000 0.518 4354 K N 0.399 120.533 120.400 -0.445 0.000 2.103 4354 K HA -0.180 4.140 4.320 -0.000 0.000 0.207 4354 K C 1.778 178.149 176.600 -0.383 0.000 1.048 4354 K CA 2.015 58.037 56.287 -0.442 0.000 0.930 4354 K CB -0.180 32.191 32.500 -0.215 0.000 0.716 4354 K HN 0.256 nan 8.250 nan 0.000 0.444 4355 K N -0.426 119.772 120.400 -0.335 0.000 2.487 4355 K HA -0.074 4.245 4.320 -0.000 0.000 0.192 4355 K C 1.376 177.843 176.600 -0.223 0.000 1.027 4355 K CA 0.341 56.464 56.287 -0.274 0.000 1.054 4355 K CB 0.148 32.469 32.500 -0.298 0.000 0.824 4355 K HN 0.370 nan 8.250 nan 0.000 0.510 4356 W N 1.612 122.602 121.300 -0.518 0.000 2.808 4356 W HA 0.021 4.681 4.660 -0.001 0.000 0.266 4356 W C 1.075 177.306 176.519 -0.479 0.000 1.247 4356 W CA 0.535 57.565 57.345 -0.525 0.000 1.440 4356 W CB 0.356 29.300 29.460 -0.859 0.000 1.040 4356 W HN 0.051 nan 8.180 nan 0.000 0.606 4357 Q N 0.722 120.291 119.800 -0.385 0.000 2.062 4357 Q HA -0.134 4.205 4.340 -0.000 0.000 0.196 4357 Q C 1.833 177.651 176.000 -0.304 0.000 0.967 4357 Q CA 1.566 57.148 55.803 -0.368 0.000 0.832 4357 Q CB -0.461 27.993 28.738 -0.473 0.000 0.899 4357 Q HN 0.326 nan 8.270 nan 0.000 0.442 4358 E N 0.791 120.820 120.200 -0.284 0.000 2.204 4358 E HA -0.109 4.240 4.350 -0.000 0.000 0.194 4358 E C 1.709 178.173 176.600 -0.227 0.000 0.989 4358 E CA 0.512 56.780 56.400 -0.220 0.000 0.824 4358 E CB 0.014 29.600 29.700 -0.191 0.000 0.756 4358 E HN 0.287 nan 8.360 nan 0.000 0.477 4359 N N 0.835 119.364 118.700 -0.284 0.000 2.207 4359 N HA -0.080 4.660 4.740 -0.000 0.000 0.182 4359 N C 1.641 176.943 175.510 -0.347 0.000 1.020 4359 N CA 1.104 53.975 53.050 -0.299 0.000 0.858 4359 N CB -0.027 38.262 38.487 -0.329 0.000 0.991 4359 N HN 0.072 nan 8.380 nan 0.000 0.427 4360 S N 0.570 115.999 115.700 -0.452 0.000 2.805 4360 S HA 0.032 4.502 4.470 -0.000 0.000 0.230 4360 S C 0.866 175.314 174.600 -0.253 0.000 0.968 4360 S CA 0.302 58.251 58.200 -0.419 0.000 0.976 4360 S CB -0.465 62.449 63.200 -0.476 0.000 0.787 4360 S HN 0.248 nan 8.310 nan 0.000 0.533 4361 E N 0.622 120.693 120.200 -0.214 0.000 2.476 4361 E HA 0.100 4.450 4.350 -0.000 0.000 0.191 4361 E C 0.557 177.078 176.600 -0.130 0.000 1.064 4361 E CA 0.054 56.364 56.400 -0.151 0.000 0.866 4361 E CB 0.190 29.809 29.700 -0.135 0.000 0.952 4361 E HN 0.753 nan 8.360 nan 0.000 0.492 4362 Q N 0.000 119.710 119.800 -0.149 0.000 2.315 4362 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 4362 Q CA 0.000 55.730 55.803 -0.122 0.000 1.022 4362 Q CB 0.000 28.659 28.738 -0.132 0.000 1.108 4362 Q HN 0.000 nan 8.270 nan 0.000 0.481