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 3l17_1_A DATA FIRST_RESID 143 DATA SEQUENCE MSEESQAFQR QLTALIGYDV TDVSNVHDDE LEFTRRGLVT PRMAEVASRD DATA SEQUENCE PKLYAMHPWV TSKPLPEYLW KKIANNCIFI VIHRSTTSQT IKVSPDDTPG DATA SEQUENCE AILQSFFTKM AXXXXXXXXX XXXXEQDFVL RVCGRDEYLV GETPIKNFQW DATA SEQUENCE VRHCLKNGEE IHVVLDTPPD PALDEVRKEE XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXCDRKFR VKIRGIDIPV LPRNTDLTVF VEANIQHGQQ DATA SEQUENCE VLCQRRTSPK PFTEEVLWNV WLEFSIKIKD LPKGALLNLQ IYCXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXLLY YVNLLLIDHR FLLRRGEYVL HMWQISGXXX DATA SEQUENCE XXXXFNADKL TSATNPDKEN SMSISILLDN XXHPIAXXXX XXXXXXXXXX DATA SEQUENCE XRAEMPNQLR KQLEAIIATD PLNPLTAEDK ELLWHFRYES LKHPKAYPKL DATA SEQUENCE FSSVKWGQQE IVAKTYQLLA RREVWDQSAL DVGLTMQLLD CNFSDENVRA DATA SEQUENCE IAVQKLESLE DDDVLHYLLQ LVQAVKFEPY HDSALARFLL KRGLRNKRIG DATA SEQUENCE HFLFWFLRSE IAQSRHYQQR FAVILEAYLR GCGTAMLHDF TQQVQVIEML DATA SEQUENCE QKVTLDIKSL SAEKYDVSSQ VISQLKQKLE NLQNSQLPES FRVPYDPGLK DATA SEQUENCE AGALAIEKCK VMASKKKPLW LEFKCADPTA LSNETIGIIF KHGDDLRQDM DATA SEQUENCE LILQILRIME SIWETESLDL CLLPYGCIST GDKIGMIEIV KDATTIAKIQ DATA SEQUENCE QSTVGNTGAF KDEVLNHWLK EKSPTEEKFQ AAVERFVYSC AGYCVATFVL DATA SEQUENCE GIGDRHNDNI MITETGNLFH IDFGHXXXXX XXXXXXXXER VPFVLTPDFL DATA SEQUENCE FVMGTSGKKT SPHFQKFQDI CVKAYLALRH HTNLLIILFS MMLMTGMPQL DATA SEQUENCE TSKEDIEYIR DALTVGKNEE DAKKYFLDQI EVCRDKGWTV QFNWFLHLV 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 143 M HA 0.000 nan 4.480 nan 0.000 0.227 143 M C 0.000 176.310 176.300 0.017 0.000 1.140 143 M CA 0.000 55.312 55.300 0.019 0.000 0.988 143 M CB 0.000 32.615 32.600 0.024 0.000 1.302 144 S N 0.974 116.685 115.700 0.019 0.000 2.562 144 S HA 0.175 4.643 4.470 -0.003 0.000 0.281 144 S C 1.059 175.670 174.600 0.018 0.000 1.333 144 S CA 0.090 58.298 58.200 0.013 0.000 1.052 144 S CB 0.753 63.957 63.200 0.008 0.000 0.884 144 S HN 0.775 nan 8.310 nan 0.000 0.506 145 E N 2.321 122.529 120.200 0.013 0.000 2.033 145 E HA -0.194 4.154 4.350 -0.003 0.000 0.199 145 E C 1.599 178.213 176.600 0.023 0.000 1.011 145 E CA 1.701 58.110 56.400 0.015 0.000 0.815 145 E CB -0.317 29.389 29.700 0.009 0.000 0.755 145 E HN 0.825 nan 8.360 nan 0.000 0.451 146 E N 0.245 120.455 120.200 0.016 0.000 2.204 146 E HA -0.105 4.243 4.350 -0.003 0.000 0.194 146 E C 2.020 178.645 176.600 0.041 0.000 0.989 146 E CA 0.712 57.123 56.400 0.019 0.000 0.824 146 E CB -0.304 29.391 29.700 -0.008 0.000 0.756 146 E HN 0.170 nan 8.360 nan 0.000 0.477 147 S N 0.436 116.161 115.700 0.042 0.000 2.419 147 S HA -0.205 4.263 4.470 -0.003 0.000 0.235 147 S C 1.750 176.433 174.600 0.139 0.000 1.019 147 S CA 1.352 59.606 58.200 0.090 0.000 0.982 147 S CB 0.054 63.292 63.200 0.064 0.000 0.789 147 S HN 0.258 nan 8.310 nan 0.000 0.490 148 Q N -0.301 119.552 119.800 0.087 0.000 2.354 148 Q HA 0.347 4.685 4.340 -0.003 0.000 0.203 148 Q C 2.258 178.303 176.000 0.075 0.000 0.933 148 Q CA 0.749 56.593 55.803 0.069 0.000 0.901 148 Q CB -0.146 28.614 28.738 0.037 0.000 1.007 148 Q HN 0.661 nan 8.270 nan 0.000 0.495 149 A N -0.054 122.820 122.820 0.091 0.000 2.168 149 A HA -0.114 4.204 4.320 -0.003 0.000 0.215 149 A C 1.557 179.241 177.584 0.166 0.000 1.152 149 A CA 0.590 52.683 52.037 0.094 0.000 0.716 149 A CB -0.312 18.732 19.000 0.073 0.000 0.794 149 A HN 0.392 nan 8.150 nan 0.000 0.465 150 F N 0.352 120.301 119.950 -0.002 0.000 2.123 150 F HA 0.011 4.536 4.527 -0.002 0.000 0.289 150 F C 2.290 178.090 175.800 0.000 0.000 1.099 150 F CA 1.688 59.688 58.000 -0.000 0.000 1.234 150 F CB -0.822 38.177 39.000 -0.003 0.000 1.034 150 F HN 0.301 nan 8.300 nan 0.000 0.479 151 Q N 0.952 120.714 119.800 -0.062 0.000 2.045 151 Q HA -0.260 4.078 4.340 -0.003 0.000 0.206 151 Q C 2.495 178.418 176.000 -0.129 0.000 0.991 151 Q CA 2.486 58.178 55.803 -0.184 0.000 0.851 151 Q CB -0.537 28.154 28.738 -0.078 0.000 0.911 151 Q HN 0.410 nan 8.270 nan 0.000 0.418 152 R N -0.210 120.262 120.500 -0.047 0.000 2.134 152 R HA -0.303 4.035 4.340 -0.003 0.000 0.248 152 R C 2.364 178.644 176.300 -0.033 0.000 1.143 152 R CA 2.214 58.296 56.100 -0.029 0.000 0.957 152 R CB -0.376 29.927 30.300 0.005 0.000 0.867 152 R HN 0.583 nan 8.270 nan 0.000 0.441 153 Q N 0.348 120.139 119.800 -0.014 0.000 2.020 153 Q HA -0.176 4.162 4.340 -0.003 0.000 0.202 153 Q C 2.257 178.215 176.000 -0.070 0.000 0.982 153 Q CA 1.830 57.634 55.803 0.000 0.000 0.838 153 Q CB -0.148 28.653 28.738 0.104 0.000 0.899 153 Q HN 0.490 nan 8.270 nan 0.000 0.423 154 L N 0.295 121.396 121.223 -0.203 0.000 2.079 154 L HA -0.195 4.143 4.340 -0.003 0.000 0.210 154 L C 2.490 179.290 176.870 -0.115 0.000 1.081 154 L CA 1.667 56.375 54.840 -0.220 0.000 0.752 154 L CB -0.653 41.174 42.059 -0.385 0.000 0.896 154 L HN 0.341 nan 8.230 nan 0.000 0.433 155 T N -0.246 114.247 114.554 -0.101 0.000 2.821 155 T HA -0.115 4.233 4.350 -0.003 0.000 0.267 155 T C 1.876 176.551 174.700 -0.043 0.000 1.046 155 T CA 1.250 63.309 62.100 -0.068 0.000 1.139 155 T CB -0.165 68.657 68.868 -0.078 0.000 0.871 155 T HN 0.447 nan 8.240 nan 0.000 0.454 156 A N 0.479 123.279 122.820 -0.033 0.000 2.119 156 A HA 0.299 4.617 4.320 -0.003 0.000 0.216 156 A C 2.114 179.699 177.584 0.003 0.000 1.152 156 A CA 0.475 52.505 52.037 -0.012 0.000 0.708 156 A CB -0.517 18.481 19.000 -0.004 0.000 0.805 156 A HN 0.456 nan 8.150 nan 0.000 0.460 157 L N -0.991 120.233 121.223 0.002 0.000 2.418 157 L HA 0.092 4.430 4.340 -0.003 0.000 0.218 157 L C 1.982 178.841 176.870 -0.018 0.000 1.125 157 L CA 0.546 55.407 54.840 0.035 0.000 0.835 157 L CB -0.041 42.054 42.059 0.060 0.000 0.953 157 L HN 0.402 nan 8.230 nan 0.000 0.454 158 I N -1.362 119.176 120.570 -0.052 0.000 2.729 158 I HA 0.081 4.249 4.170 -0.003 0.000 0.256 158 I C 1.582 177.659 176.117 -0.066 0.000 1.115 158 I CA 0.918 62.159 61.300 -0.099 0.000 1.446 158 I CB 0.072 38.050 38.000 -0.037 0.000 1.176 158 I HN 0.290 nan 8.210 nan 0.000 0.446 159 G N 0.424 109.220 108.800 -0.007 0.000 2.141 159 G HA2 -0.309 3.649 3.960 -0.003 0.000 0.231 159 G HA3 -0.309 3.649 3.960 -0.003 0.000 0.231 159 G C -0.120 174.847 174.900 0.112 0.000 0.984 159 G CA 0.072 45.189 45.100 0.030 0.000 0.660 159 G HN 0.359 nan 8.290 nan 0.000 0.525 160 Y N -0.095 120.176 120.300 -0.048 0.000 2.552 160 Y HA 0.545 5.093 4.550 -0.003 0.000 0.337 160 Y C -1.506 174.367 175.900 -0.045 0.000 1.094 160 Y CA -1.096 56.982 58.100 -0.036 0.000 1.028 160 Y CB 2.074 40.518 38.460 -0.027 0.000 1.321 160 Y HN 0.013 nan 8.280 nan 0.000 0.456 161 D N 3.939 123.938 120.400 -0.668 0.000 2.524 161 D HA 0.133 4.771 4.640 -0.003 0.000 0.222 161 D C 0.927 177.051 176.300 -0.295 0.000 1.142 161 D CA -0.017 53.741 54.000 -0.404 0.000 0.973 161 D CB 0.670 41.232 40.800 -0.397 0.000 1.025 161 D HN 0.508 nan 8.370 nan 0.000 0.519 162 V N 1.959 121.879 119.914 0.010 0.000 3.330 162 V HA -0.099 4.019 4.120 -0.003 0.000 0.273 162 V C 1.464 177.576 176.094 0.029 0.000 1.179 162 V CA 1.873 64.248 62.300 0.124 0.000 1.174 162 V CB -1.379 30.500 31.823 0.093 0.000 0.794 162 V HN 0.551 nan 8.190 nan 0.000 0.527 163 T N -2.707 111.826 114.554 -0.035 0.000 3.039 163 T HA 0.071 4.419 4.350 -0.003 0.000 0.250 163 T C 0.780 175.458 174.700 -0.036 0.000 1.052 163 T CA 0.508 62.590 62.100 -0.031 0.000 1.125 163 T CB -0.384 68.460 68.868 -0.041 0.000 0.908 163 T HN 0.569 nan 8.240 nan 0.000 0.473 164 D N 1.925 122.277 120.400 -0.080 0.000 2.571 164 D HA 0.082 4.720 4.640 -0.003 0.000 0.231 164 D C 0.869 177.153 176.300 -0.027 0.000 1.133 164 D CA 0.786 54.737 54.000 -0.082 0.000 0.862 164 D CB 0.832 41.531 40.800 -0.168 0.000 1.179 164 D HN 0.299 nan 8.370 nan 0.000 0.474 165 V N 0.598 120.499 119.914 -0.020 0.000 3.111 165 V HA 0.192 4.310 4.120 -0.003 0.000 0.343 165 V C 1.097 177.189 176.094 -0.003 0.000 1.417 165 V CA 0.341 62.641 62.300 -0.000 0.000 1.142 165 V CB -0.273 31.553 31.823 0.004 0.000 1.114 165 V HN 0.524 nan 8.190 nan 0.000 0.520 166 S N -0.401 115.290 115.700 -0.015 0.000 2.562 166 S HA 0.124 4.592 4.470 -0.003 0.000 0.221 166 S C 1.058 175.644 174.600 -0.023 0.000 0.975 166 S CA 0.943 59.128 58.200 -0.025 0.000 0.918 166 S CB -0.437 62.737 63.200 -0.043 0.000 0.772 166 S HN 0.568 nan 8.310 nan 0.000 0.531 167 N N 1.272 119.971 118.700 -0.002 0.000 2.598 167 N HA 0.314 5.052 4.740 -0.003 0.000 0.309 167 N C -0.836 174.679 175.510 0.007 0.000 1.645 167 N CA -0.306 52.744 53.050 -0.001 0.000 0.936 167 N CB 1.124 39.620 38.487 0.014 0.000 1.323 167 N HN 0.364 nan 8.380 nan 0.000 0.497 168 V N -1.522 118.393 119.914 0.002 0.000 3.114 168 V HA 0.571 4.689 4.120 -0.003 0.000 0.308 168 V C 0.088 176.185 176.094 0.005 0.000 1.168 168 V CA -0.816 61.451 62.300 -0.054 0.000 1.015 168 V CB 1.954 33.747 31.823 -0.050 0.000 1.050 168 V HN 0.399 nan 8.190 nan 0.000 0.433 169 H N 0.368 119.501 119.070 0.105 0.000 2.649 169 H HA 0.525 5.079 4.556 -0.003 0.000 0.258 169 H C -0.705 174.716 175.328 0.155 0.000 1.165 169 H CA 0.304 56.425 56.048 0.122 0.000 1.006 169 H CB 0.691 30.578 29.762 0.207 0.000 1.743 169 H HN 0.956 nan 8.280 nan 0.000 0.609 170 D N 0.675 121.103 120.400 0.047 0.000 2.893 170 D HA -0.071 4.567 4.640 -0.003 0.000 0.346 170 D C -0.799 175.551 176.300 0.084 0.000 1.402 170 D CA -0.287 53.791 54.000 0.130 0.000 0.815 170 D CB 0.288 41.228 40.800 0.234 0.000 1.403 170 D HN 0.108 nan 8.370 nan 0.000 0.484 171 D N -1.238 119.259 120.400 0.161 0.000 2.623 171 D HA 0.080 4.718 4.640 -0.003 0.000 0.252 171 D C 0.759 177.070 176.300 0.018 0.000 1.294 171 D CA -0.252 53.820 54.000 0.121 0.000 0.824 171 D CB 0.232 41.136 40.800 0.173 0.000 1.070 171 D HN 0.533 nan 8.370 nan 0.000 0.487 172 E N 0.401 120.497 120.200 -0.173 0.000 2.153 172 E HA -0.114 4.234 4.350 -0.003 0.000 0.194 172 E C 1.663 178.251 176.600 -0.020 0.000 0.988 172 E CA 0.664 56.724 56.400 -0.566 0.000 0.811 172 E CB 0.143 29.637 29.700 -0.344 0.000 0.746 172 E HN 0.349 nan 8.360 nan 0.000 0.466 173 L N 0.696 121.955 121.223 0.061 0.000 2.072 173 L HA -0.135 4.203 4.340 -0.003 0.000 0.205 173 L C 2.578 179.460 176.870 0.021 0.000 1.079 173 L CA 0.891 55.729 54.840 -0.004 0.000 0.752 173 L CB -0.272 41.725 42.059 -0.102 0.000 0.906 173 L HN 0.072 nan 8.230 nan 0.000 0.436 174 E N -0.205 120.025 120.200 0.050 0.000 2.106 174 E HA -0.240 4.108 4.350 -0.003 0.000 0.192 174 E C 2.047 178.705 176.600 0.096 0.000 0.984 174 E CA 1.184 57.621 56.400 0.062 0.000 0.806 174 E CB -0.232 29.512 29.700 0.073 0.000 0.750 174 E HN 0.383 nan 8.360 nan 0.000 0.458 175 F N 1.908 121.844 119.950 -0.024 0.000 2.202 175 F HA -0.194 4.331 4.527 -0.003 0.000 0.301 175 F C 2.045 177.843 175.800 -0.003 0.000 1.082 175 F CA 1.623 59.622 58.000 -0.001 0.000 1.313 175 F CB -0.022 38.963 39.000 -0.025 0.000 1.024 175 F HN -0.094 nan 8.300 nan 0.000 0.495 176 T N -0.466 114.109 114.554 0.034 0.000 3.057 176 T HA 0.049 4.397 4.350 -0.003 0.000 0.254 176 T C 1.917 176.584 174.700 -0.055 0.000 1.094 176 T CA 0.320 62.407 62.100 -0.022 0.000 1.088 176 T CB -0.092 68.829 68.868 0.087 0.000 0.934 176 T HN 0.223 nan 8.240 nan 0.000 0.497 177 R N 1.088 121.563 120.500 -0.043 0.000 2.075 177 R HA 0.116 4.454 4.340 -0.003 0.000 0.232 177 R C 2.688 178.949 176.300 -0.065 0.000 1.126 177 R CA 1.007 57.083 56.100 -0.040 0.000 0.963 177 R CB -0.045 30.242 30.300 -0.022 0.000 0.858 177 R HN 0.265 nan 8.270 nan 0.000 0.435 178 R N -0.460 119.980 120.500 -0.100 0.000 2.092 178 R HA -0.042 4.296 4.340 -0.003 0.000 0.231 178 R C 2.363 178.551 176.300 -0.186 0.000 1.119 178 R CA 1.185 57.207 56.100 -0.129 0.000 0.970 178 R CB -0.473 29.745 30.300 -0.136 0.000 0.864 178 R HN 0.316 nan 8.270 nan 0.000 0.440 179 G N 1.647 110.275 108.800 -0.287 0.000 2.513 179 G HA2 -0.253 3.705 3.960 -0.003 0.000 0.219 179 G HA3 -0.253 3.705 3.960 -0.003 0.000 0.219 179 G C 1.357 176.184 174.900 -0.121 0.000 1.160 179 G CA 0.738 45.676 45.100 -0.270 0.000 0.767 179 G HN 0.191 nan 8.290 nan 0.000 0.571 180 L N 0.675 121.852 121.223 -0.077 0.000 2.554 180 L HA 0.077 4.415 4.340 -0.003 0.000 0.226 180 L C 2.658 179.512 176.870 -0.026 0.000 1.137 180 L CA -0.341 54.481 54.840 -0.030 0.000 0.863 180 L CB 0.015 42.070 42.059 -0.006 0.000 0.985 180 L HN 0.046 nan 8.230 nan 0.000 0.451 181 V N -0.301 119.589 119.914 -0.039 0.000 2.469 181 V HA -0.295 3.822 4.120 -0.003 0.000 0.251 181 V C 2.480 178.560 176.094 -0.023 0.000 1.064 181 V CA 2.343 64.626 62.300 -0.028 0.000 1.066 181 V CB -0.740 31.064 31.823 -0.030 0.000 0.667 181 V HN 0.483 nan 8.190 nan 0.000 0.461 182 T N -0.069 114.470 114.554 -0.025 0.000 2.770 182 T HA -0.031 4.317 4.350 -0.003 0.000 0.258 182 T C -0.032 174.662 174.700 -0.010 0.000 1.039 182 T CA 1.561 63.651 62.100 -0.017 0.000 1.143 182 T CB -1.007 67.850 68.868 -0.017 0.000 0.866 182 T HN 0.440 nan 8.240 nan 0.000 0.428 183 P HA -0.045 nan 4.420 nan 0.000 0.216 183 P C 1.441 178.739 177.300 -0.003 0.000 1.150 183 P CA 1.040 64.143 63.100 0.005 0.000 0.837 183 P CB -0.020 31.692 31.700 0.020 0.000 0.786 184 R N -0.203 120.294 120.500 -0.006 0.000 2.082 184 R HA -0.130 4.208 4.340 -0.003 0.000 0.234 184 R C 2.176 178.456 176.300 -0.033 0.000 1.136 184 R CA 2.211 58.301 56.100 -0.016 0.000 0.935 184 R CB -0.770 29.521 30.300 -0.016 0.000 0.842 184 R HN 0.094 nan 8.270 nan 0.000 0.430 185 M N -0.092 119.490 119.600 -0.029 0.000 2.132 185 M HA -0.040 4.438 4.480 -0.003 0.000 0.263 185 M C 2.498 178.776 176.300 -0.036 0.000 1.065 185 M CA 1.564 56.843 55.300 -0.035 0.000 1.122 185 M CB -0.221 32.363 32.600 -0.026 0.000 1.365 185 M HN 0.377 nan 8.290 nan 0.000 0.411 186 A N 0.029 122.834 122.820 -0.025 0.000 1.986 186 A HA -0.225 4.093 4.320 -0.003 0.000 0.220 186 A C 1.977 179.543 177.584 -0.030 0.000 1.171 186 A CA 2.263 54.288 52.037 -0.021 0.000 0.640 186 A CB -0.535 18.460 19.000 -0.008 0.000 0.811 186 A HN 0.463 nan 8.150 nan 0.000 0.451 187 E N -0.639 119.537 120.200 -0.040 0.000 2.099 187 E HA 0.005 4.353 4.350 -0.003 0.000 0.191 187 E C 1.839 178.383 176.600 -0.093 0.000 0.962 187 E CA 0.992 57.360 56.400 -0.053 0.000 0.826 187 E CB -0.446 29.226 29.700 -0.045 0.000 0.788 187 E HN 0.160 nan 8.360 nan 0.000 0.461 188 V N 1.612 121.460 119.914 -0.109 0.000 2.250 188 V HA -0.372 3.746 4.120 -0.003 0.000 0.250 188 V C 2.443 178.462 176.094 -0.125 0.000 1.060 188 V CA 2.338 64.548 62.300 -0.150 0.000 1.030 188 V CB -1.216 30.535 31.823 -0.120 0.000 0.643 188 V HN 0.453 nan 8.190 nan 0.000 0.445 189 A N 0.592 123.363 122.820 -0.081 0.000 1.883 189 A HA -0.226 4.092 4.320 -0.003 0.000 0.217 189 A C 2.439 179.988 177.584 -0.057 0.000 1.186 189 A CA 2.614 54.614 52.037 -0.061 0.000 0.624 189 A CB -0.829 18.146 19.000 -0.041 0.000 0.822 189 A HN 0.729 nan 8.150 nan 0.000 0.444 190 S N -0.013 115.655 115.700 -0.052 0.000 2.522 190 S HA -0.016 4.452 4.470 -0.003 0.000 0.227 190 S C 1.003 175.579 174.600 -0.040 0.000 0.986 190 S CA 0.270 58.448 58.200 -0.036 0.000 0.929 190 S CB -0.418 62.768 63.200 -0.024 0.000 0.769 190 S HN 0.773 nan 8.310 nan 0.000 0.529 191 R N 1.528 121.985 120.500 -0.072 0.000 2.459 191 R HA 0.338 4.676 4.340 -0.003 0.000 0.281 191 R C -0.971 175.302 176.300 -0.045 0.000 1.050 191 R CA -0.608 55.451 56.100 -0.068 0.000 1.055 191 R CB 0.286 30.498 30.300 -0.147 0.000 1.045 191 R HN -0.046 nan 8.270 nan 0.000 0.495 192 D N 3.601 124.004 120.400 0.005 0.000 2.346 192 D HA 0.089 4.727 4.640 -0.003 0.000 0.260 192 D C -1.596 174.737 176.300 0.055 0.000 1.252 192 D CA -2.362 51.653 54.000 0.026 0.000 0.895 192 D CB 1.483 42.307 40.800 0.039 0.000 1.097 192 D HN 0.355 nan 8.370 nan 0.000 0.489 193 P HA -0.154 nan 4.420 nan 0.000 0.215 193 P C 1.219 178.570 177.300 0.084 0.000 1.157 193 P CA 1.267 64.403 63.100 0.061 0.000 0.874 193 P CB 0.252 31.963 31.700 0.020 0.000 0.790 194 K N -0.730 119.694 120.400 0.039 0.000 2.217 194 K HA -0.026 4.292 4.320 -0.003 0.000 0.202 194 K C 1.935 178.533 176.600 -0.003 0.000 1.051 194 K CA 0.788 57.078 56.287 0.006 0.000 0.952 194 K CB -0.342 32.157 32.500 -0.001 0.000 0.736 194 K HN 0.120 nan 8.250 nan 0.000 0.453 195 L N -0.502 120.744 121.223 0.039 0.000 2.168 195 L HA -0.092 4.246 4.340 -0.003 0.000 0.203 195 L C 2.234 179.146 176.870 0.070 0.000 1.078 195 L CA 0.581 55.445 54.840 0.040 0.000 0.780 195 L CB -0.408 41.688 42.059 0.062 0.000 0.939 195 L HN 0.156 nan 8.230 nan 0.000 0.451 196 Y N 1.007 121.303 120.300 -0.006 0.000 2.207 196 Y HA -0.328 4.220 4.550 -0.004 0.000 0.287 196 Y C 2.389 178.297 175.900 0.013 0.000 1.156 196 Y CA 1.241 59.347 58.100 0.011 0.000 1.182 196 Y CB -0.296 38.162 38.460 -0.003 0.000 0.979 196 Y HN 0.138 nan 8.280 nan 0.000 0.521 197 A N 0.158 122.955 122.820 -0.038 0.000 1.883 197 A HA -0.233 4.085 4.320 -0.003 0.000 0.217 197 A C 2.254 179.710 177.584 -0.213 0.000 1.186 197 A CA 2.354 54.300 52.037 -0.153 0.000 0.624 197 A CB -0.695 18.240 19.000 -0.108 0.000 0.822 197 A HN 0.589 nan 8.150 nan 0.000 0.444 198 M N -0.894 118.533 119.600 -0.288 0.000 2.510 198 M HA 0.053 4.531 4.480 -0.003 0.000 0.256 198 M C 0.134 176.007 176.300 -0.711 0.000 1.132 198 M CA 0.544 55.476 55.300 -0.614 0.000 1.105 198 M CB 0.041 32.266 32.600 -0.625 0.000 1.375 198 M HN 0.750 nan 8.290 nan 0.000 0.477 199 H N -0.797 118.190 119.070 -0.138 0.000 2.496 199 H HA -0.077 4.477 4.556 -0.004 0.000 0.323 199 H C -2.660 172.708 175.328 0.067 0.000 1.054 199 H CA -0.324 55.686 56.048 -0.063 0.000 1.095 199 H CB -2.266 27.407 29.762 -0.149 0.000 1.595 199 H HN 0.188 nan 8.280 nan 0.000 0.388 200 P HA -0.031 nan 4.420 nan 0.000 0.267 200 P C 0.162 177.638 177.300 0.293 0.000 1.209 200 P CA 0.012 63.244 63.100 0.219 0.000 0.763 200 P CB 0.438 32.298 31.700 0.267 0.000 0.816 201 W N 6.147 127.542 121.300 0.159 0.000 2.342 201 W HA 0.404 5.062 4.660 -0.003 0.000 0.310 201 W C -1.402 175.127 176.519 0.017 0.000 1.128 201 W CA -0.526 56.886 57.345 0.112 0.000 1.322 201 W CB 0.250 29.807 29.460 0.162 0.000 1.251 201 W HN 0.097 nan 8.180 nan 0.000 0.439 202 V N 4.783 124.821 119.914 0.207 0.000 3.049 202 V HA 0.629 4.747 4.120 -0.003 0.000 0.309 202 V C -0.472 175.600 176.094 -0.038 0.000 1.148 202 V CA -0.956 61.263 62.300 -0.136 0.000 0.990 202 V CB 2.143 33.802 31.823 -0.274 0.000 1.039 202 V HN 0.362 nan 8.190 nan 0.000 0.430 203 T N 0.347 114.839 114.554 -0.104 0.000 3.032 203 T HA 0.351 4.699 4.350 -0.003 0.000 0.312 203 T C 0.540 175.214 174.700 -0.044 0.000 1.078 203 T CA 0.018 62.096 62.100 -0.036 0.000 1.028 203 T CB 1.808 70.656 68.868 -0.034 0.000 1.091 203 T HN 0.622 nan 8.240 nan 0.000 0.457 204 S N 2.884 118.577 115.700 -0.010 0.000 2.527 204 S HA 0.114 4.582 4.470 -0.003 0.000 0.222 204 S C 0.835 175.433 174.600 -0.003 0.000 0.985 204 S CA 0.137 58.332 58.200 -0.009 0.000 0.921 204 S CB -0.054 63.149 63.200 0.005 0.000 0.772 204 S HN 0.631 nan 8.310 nan 0.000 0.529 205 K N 2.556 122.956 120.400 0.000 0.000 2.397 205 K HA 0.093 4.411 4.320 -0.003 0.000 0.265 205 K C -2.522 174.076 176.600 -0.004 0.000 0.982 205 K CA -0.939 55.349 56.287 0.002 0.000 0.931 205 K CB -0.446 32.055 32.500 0.002 0.000 0.943 205 K HN 0.115 nan 8.250 nan 0.000 0.501 206 P HA 0.038 nan 4.420 nan 0.000 0.272 206 P C -0.334 176.963 177.300 -0.006 0.000 1.230 206 P CA -0.275 62.844 63.100 0.031 0.000 0.788 206 P CB 0.564 32.297 31.700 0.055 0.000 0.949 207 L N 3.287 124.513 121.223 0.005 0.000 2.361 207 L HA 0.211 4.549 4.340 -0.003 0.000 0.278 207 L C -1.967 174.822 176.870 -0.135 0.000 1.113 207 L CA -1.799 52.940 54.840 -0.169 0.000 0.849 207 L CB 0.567 42.382 42.059 -0.407 0.000 1.155 207 L HN 0.252 nan 8.230 nan 0.000 0.452 208 P HA 0.017 nan 4.420 nan 0.000 0.269 208 P C 0.249 177.406 177.300 -0.239 0.000 1.217 208 P CA -0.168 62.705 63.100 -0.378 0.000 0.783 208 P CB 0.612 31.716 31.700 -0.993 0.000 0.898 209 E N 0.352 120.498 120.200 -0.091 0.000 2.058 209 E HA -0.245 4.103 4.350 -0.003 0.000 0.194 209 E C 1.838 178.481 176.600 0.070 0.000 0.997 209 E CA 1.567 58.026 56.400 0.100 0.000 0.801 209 E CB -0.534 29.227 29.700 0.102 0.000 0.746 209 E HN 0.636 nan 8.360 nan 0.000 0.450 210 Y N -0.015 120.335 120.300 0.083 0.000 2.224 210 Y HA -0.105 4.443 4.550 -0.003 0.000 0.289 210 Y C 1.958 177.858 175.900 0.000 0.000 1.146 210 Y CA 0.703 58.820 58.100 0.029 0.000 1.182 210 Y CB -0.800 37.649 38.460 -0.019 0.000 0.983 210 Y HN -0.080 nan 8.280 nan 0.000 0.524 211 L N -1.623 119.473 121.223 -0.211 0.000 2.376 211 L HA -0.102 4.236 4.340 -0.003 0.000 0.219 211 L C 2.025 178.788 176.870 -0.178 0.000 1.133 211 L CA 0.889 55.627 54.840 -0.170 0.000 0.816 211 L CB -0.544 41.320 42.059 -0.325 0.000 0.933 211 L HN 0.325 nan 8.230 nan 0.000 0.449 212 W N 1.259 122.497 121.300 -0.103 0.000 2.388 212 W HA -0.181 4.477 4.660 -0.003 0.000 0.294 212 W C 2.731 179.233 176.519 -0.028 0.000 1.212 212 W CA 0.850 58.157 57.345 -0.063 0.000 1.271 212 W CB 0.093 29.514 29.460 -0.066 0.000 1.126 212 W HN 0.045 nan 8.180 nan 0.000 0.535 213 K N 1.106 121.648 120.400 0.237 0.000 2.280 213 K HA -0.181 4.137 4.320 -0.003 0.000 0.202 213 K C 1.516 178.179 176.600 0.105 0.000 1.047 213 K CA 1.338 57.718 56.287 0.154 0.000 0.942 213 K CB -0.589 31.981 32.500 0.117 0.000 0.739 213 K HN 0.043 nan 8.250 nan 0.000 0.457 214 K N 1.124 121.566 120.400 0.069 0.000 2.442 214 K HA 0.055 4.373 4.320 -0.003 0.000 0.198 214 K C 0.160 176.778 176.600 0.030 0.000 1.042 214 K CA 0.373 56.675 56.287 0.024 0.000 0.958 214 K CB -0.023 32.463 32.500 -0.022 0.000 0.766 214 K HN 0.304 nan 8.250 nan 0.000 0.474 215 I N 0.795 121.408 120.570 0.072 0.000 2.437 215 I HA 0.139 4.307 4.170 -0.003 0.000 0.279 215 I C 0.363 176.569 176.117 0.148 0.000 1.028 215 I CA -0.390 60.971 61.300 0.101 0.000 1.142 215 I CB 1.763 39.819 38.000 0.093 0.000 1.266 215 I HN -0.200 nan 8.210 nan 0.000 0.461 216 A N 5.009 127.894 122.820 0.109 0.000 2.327 216 A HA 0.123 4.441 4.320 -0.003 0.000 0.228 216 A C 0.964 178.599 177.584 0.085 0.000 1.275 216 A CA 0.175 52.268 52.037 0.093 0.000 0.875 216 A CB -0.566 18.477 19.000 0.071 0.000 0.925 216 A HN 0.818 nan 8.150 nan 0.000 0.493 217 N N -1.444 117.314 118.700 0.098 0.000 1.986 217 N HA -0.055 4.683 4.740 -0.003 0.000 0.227 217 N C 0.061 175.611 175.510 0.067 0.000 1.387 217 N CA 0.236 53.331 53.050 0.076 0.000 0.810 217 N CB -0.956 37.581 38.487 0.084 0.000 1.140 217 N HN 0.348 nan 8.380 nan 0.000 0.504 218 N N 0.292 119.059 118.700 0.110 0.000 2.701 218 N HA -0.231 4.506 4.740 -0.003 0.000 0.250 218 N C -1.227 174.311 175.510 0.046 0.000 1.046 218 N CA 0.882 54.005 53.050 0.121 0.000 0.733 218 N CB -1.293 37.247 38.487 0.088 0.000 0.973 218 N HN 0.577 nan 8.380 nan 0.000 0.541 219 C N 0.802 120.110 119.300 0.014 0.000 2.783 219 C HA 0.756 5.214 4.460 -0.003 0.000 0.312 219 C C -0.515 174.417 174.990 -0.096 0.000 1.182 219 C CA -0.804 58.164 59.018 -0.084 0.000 1.432 219 C CB 1.416 29.075 27.740 -0.135 0.000 1.933 219 C HN 0.277 nan 8.230 nan 0.000 0.473 220 I N 4.162 124.627 120.570 -0.175 0.000 2.545 220 I HA 0.451 4.619 4.170 -0.003 0.000 0.292 220 I C -1.011 174.978 176.117 -0.213 0.000 1.040 220 I CA -0.381 60.855 61.300 -0.107 0.000 1.068 220 I CB 1.821 39.774 38.000 -0.077 0.000 1.251 220 I HN 0.524 nan 8.210 nan 0.000 0.424 221 F N 6.284 126.209 119.950 -0.040 0.000 2.391 221 F HA 0.410 4.935 4.527 -0.003 0.000 0.359 221 F C 0.006 175.771 175.800 -0.058 0.000 1.122 221 F CA -0.488 57.486 58.000 -0.043 0.000 1.120 221 F CB 0.840 39.817 39.000 -0.038 0.000 1.142 221 F HN 0.063 nan 8.300 nan 0.000 0.483 222 I N 5.326 125.923 120.570 0.045 0.000 2.382 222 I HA 0.285 4.453 4.170 -0.003 0.000 0.286 222 I C -0.258 175.845 176.117 -0.024 0.000 1.002 222 I CA -0.858 60.437 61.300 -0.007 0.000 1.135 222 I CB 1.065 39.030 38.000 -0.057 0.000 1.288 222 I HN 0.121 nan 8.210 nan 0.000 0.448 223 V N 7.428 127.300 119.914 -0.069 0.000 2.607 223 V HA 0.461 4.579 4.120 -0.003 0.000 0.289 223 V C 0.374 176.449 176.094 -0.033 0.000 1.053 223 V CA -0.407 61.822 62.300 -0.118 0.000 0.996 223 V CB 1.954 33.580 31.823 -0.328 0.000 0.995 223 V HN 0.446 nan 8.190 nan 0.000 0.476 224 I N 3.823 124.344 120.570 -0.082 0.000 2.545 224 I HA 0.526 4.694 4.170 -0.003 0.000 0.292 224 I C -1.024 175.068 176.117 -0.042 0.000 1.040 224 I CA -0.636 60.635 61.300 -0.049 0.000 1.068 224 I CB 2.051 39.817 38.000 -0.389 0.000 1.251 224 I HN 0.643 nan 8.210 nan 0.000 0.424 225 H N 4.953 123.987 119.070 -0.059 0.000 2.637 225 H HA 0.673 5.227 4.556 -0.004 0.000 0.363 225 H C -0.784 174.560 175.328 0.027 0.000 1.131 225 H CA -0.881 55.174 56.048 0.012 0.000 1.183 225 H CB 1.802 31.585 29.762 0.035 0.000 1.637 225 H HN 0.226 nan 8.280 nan 0.000 0.531 226 R N 2.147 122.744 120.500 0.162 0.000 3.009 226 R HA 0.273 4.611 4.340 -0.003 0.000 0.278 226 R C -0.343 176.023 176.300 0.110 0.000 1.515 226 R CA -0.059 56.121 56.100 0.133 0.000 1.055 226 R CB 0.466 30.851 30.300 0.141 0.000 1.345 226 R HN 0.973 nan 8.270 nan 0.000 0.421 227 S N 0.135 115.895 115.700 0.101 0.000 4.141 227 S HA -0.295 4.173 4.470 -0.003 0.000 0.622 227 S C 1.362 176.009 174.600 0.078 0.000 1.894 227 S CA 1.681 59.929 58.200 0.080 0.000 4.238 227 S CB -1.036 62.205 63.200 0.067 0.000 0.205 227 S HN 0.602 nan 8.310 nan 0.000 0.486 228 T N 3.368 117.959 114.554 0.062 0.000 2.612 228 T HA 0.107 4.455 4.350 -0.003 0.000 0.251 228 T C 1.293 176.022 174.700 0.047 0.000 1.090 228 T CA 1.931 64.063 62.100 0.052 0.000 1.198 228 T CB -0.695 68.196 68.868 0.038 0.000 0.878 228 T HN 1.014 nan 8.240 nan 0.000 0.401 229 T N 1.513 116.088 114.554 0.034 0.000 2.748 229 T HA 0.433 4.781 4.350 -0.003 0.000 0.304 229 T C -0.379 174.308 174.700 -0.020 0.000 1.041 229 T CA -0.741 61.365 62.100 0.010 0.000 1.033 229 T CB 0.651 69.528 68.868 0.016 0.000 0.995 229 T HN 0.395 nan 8.240 nan 0.000 0.536 230 S N 0.029 115.684 115.700 -0.076 0.000 2.599 230 S HA 0.378 4.846 4.470 -0.003 0.000 0.269 230 S C -1.109 173.420 174.600 -0.120 0.000 1.135 230 S CA -1.078 57.003 58.200 -0.197 0.000 1.027 230 S CB 1.375 64.216 63.200 -0.599 0.000 1.129 230 S HN 0.819 nan 8.310 nan 0.000 0.458 231 Q N 1.620 121.423 119.800 0.005 0.000 2.306 231 Q HA 0.663 5.001 4.340 -0.003 0.000 0.241 231 Q C -0.523 175.499 176.000 0.036 0.000 0.948 231 Q CA 0.277 56.120 55.803 0.066 0.000 0.886 231 Q CB 1.047 29.904 28.738 0.198 0.000 1.227 231 Q HN 0.738 nan 8.270 nan 0.000 0.457 232 T N 3.466 118.047 114.554 0.046 0.000 2.859 232 T HA 0.701 5.049 4.350 -0.003 0.000 0.281 232 T C -0.721 174.033 174.700 0.091 0.000 1.005 232 T CA -0.414 61.722 62.100 0.061 0.000 1.025 232 T CB 0.546 69.474 68.868 0.101 0.000 0.977 232 T HN 0.444 nan 8.240 nan 0.000 0.458 233 I N 2.105 122.710 120.570 0.058 0.000 2.499 233 I HA 0.353 4.521 4.170 -0.003 0.000 0.288 233 I C 0.028 176.071 176.117 -0.123 0.000 1.048 233 I CA -0.829 60.473 61.300 0.003 0.000 1.062 233 I CB 1.716 39.726 38.000 0.017 0.000 1.238 233 I HN 0.365 nan 8.210 nan 0.000 0.426 234 K N 4.079 124.343 120.400 -0.227 0.000 2.382 234 K HA 0.601 4.919 4.320 -0.003 0.000 0.275 234 K C -0.773 175.675 176.600 -0.254 0.000 1.009 234 K CA -0.160 55.864 56.287 -0.439 0.000 0.970 234 K CB 0.844 33.107 32.500 -0.394 0.000 0.934 234 K HN 0.381 nan 8.250 nan 0.000 0.479 235 V N 0.672 120.431 119.914 -0.258 0.000 3.147 235 V HA 0.279 4.397 4.120 -0.003 0.000 0.306 235 V C -0.691 175.332 176.094 -0.118 0.000 1.209 235 V CA -1.081 61.130 62.300 -0.147 0.000 1.023 235 V CB 2.060 33.812 31.823 -0.119 0.000 1.059 235 V HN 0.837 nan 8.190 nan 0.000 0.435 236 S N 2.271 117.931 115.700 -0.066 0.000 2.525 236 S HA 0.526 4.993 4.470 -0.003 0.000 0.290 236 S C -1.834 172.760 174.600 -0.009 0.000 1.152 236 S CA -1.478 56.704 58.200 -0.029 0.000 1.072 236 S CB 1.815 65.010 63.200 -0.009 0.000 1.027 236 S HN 0.517 nan 8.310 nan 0.000 0.500 237 P HA -0.122 nan 4.420 nan 0.000 0.218 237 P C 0.385 177.703 177.300 0.030 0.000 1.150 237 P CA 1.331 64.434 63.100 0.004 0.000 0.841 237 P CB 0.070 31.805 31.700 0.059 0.000 0.784 238 D N -1.691 118.739 120.400 0.049 0.000 2.349 238 D HA 0.006 4.644 4.640 -0.003 0.000 0.215 238 D C 0.321 176.642 176.300 0.036 0.000 1.016 238 D CA 0.407 54.437 54.000 0.050 0.000 0.870 238 D CB -0.384 40.449 40.800 0.054 0.000 0.917 238 D HN 0.192 nan 8.370 nan 0.000 0.524 239 D N 0.362 120.775 120.400 0.021 0.000 2.346 239 D HA 0.062 4.700 4.640 -0.003 0.000 0.236 239 D C 0.227 176.547 176.300 0.034 0.000 1.259 239 D CA 0.840 54.847 54.000 0.012 0.000 0.898 239 D CB 0.715 41.506 40.800 -0.014 0.000 1.178 239 D HN -0.195 nan 8.370 nan 0.000 0.457 240 T N 0.476 115.047 114.554 0.028 0.000 2.907 240 T HA 0.318 4.666 4.350 -0.003 0.000 0.292 240 T C -1.780 172.932 174.700 0.020 0.000 1.043 240 T CA -1.365 60.768 62.100 0.056 0.000 1.003 240 T CB 1.945 70.848 68.868 0.058 0.000 1.084 240 T HN 0.081 nan 8.240 nan 0.000 0.483 241 P HA -0.163 nan 4.420 nan 0.000 0.214 241 P C 1.661 178.943 177.300 -0.029 0.000 1.172 241 P CA 1.541 64.626 63.100 -0.025 0.000 0.925 241 P CB -0.185 31.520 31.700 0.008 0.000 0.793 242 G N -0.149 108.657 108.800 0.010 0.000 2.469 242 G HA2 -0.298 3.660 3.960 -0.003 0.000 0.219 242 G HA3 -0.298 3.660 3.960 -0.003 0.000 0.219 242 G C 1.673 176.557 174.900 -0.026 0.000 1.150 242 G CA 1.190 46.294 45.100 0.006 0.000 0.763 242 G HN 0.398 nan 8.290 nan 0.000 0.561 243 A N 0.641 123.452 122.820 -0.015 0.000 2.131 243 A HA 0.024 4.342 4.320 -0.003 0.000 0.220 243 A C 2.283 179.832 177.584 -0.059 0.000 1.158 243 A CA 1.632 53.654 52.037 -0.025 0.000 0.665 243 A CB -0.378 18.618 19.000 -0.008 0.000 0.795 243 A HN 0.736 nan 8.150 nan 0.000 0.460 244 I N -5.277 115.239 120.570 -0.090 0.000 3.883 244 I HA 0.173 4.341 4.170 -0.003 0.000 0.305 244 I C 1.951 177.940 176.117 -0.213 0.000 1.247 244 I CA 0.096 61.323 61.300 -0.121 0.000 1.350 244 I CB -0.432 37.504 38.000 -0.106 0.000 1.194 244 I HN 0.073 nan 8.210 nan 0.000 0.441 245 L N 1.474 122.530 121.223 -0.279 0.000 2.043 245 L HA -0.251 4.087 4.340 -0.003 0.000 0.212 245 L C 2.964 179.276 176.870 -0.929 0.000 1.075 245 L CA 2.070 56.577 54.840 -0.555 0.000 0.752 245 L CB -0.569 41.300 42.059 -0.316 0.000 0.891 245 L HN 0.462 nan 8.230 nan 0.000 0.432 246 Q N -0.743 118.809 119.800 -0.414 0.000 2.084 246 Q HA -0.249 4.089 4.340 -0.003 0.000 0.202 246 Q C 2.355 178.248 176.000 -0.178 0.000 0.978 246 Q CA 2.108 57.777 55.803 -0.222 0.000 0.844 246 Q CB -0.085 28.623 28.738 -0.049 0.000 0.898 246 Q HN 0.433 nan 8.270 nan 0.000 0.426 247 S N -0.307 115.308 115.700 -0.142 0.000 2.370 247 S HA -0.166 4.301 4.470 -0.003 0.000 0.226 247 S C 1.694 176.265 174.600 -0.049 0.000 1.033 247 S CA 1.139 59.297 58.200 -0.070 0.000 1.011 247 S CB -0.502 62.668 63.200 -0.050 0.000 0.852 247 S HN 0.517 nan 8.310 nan 0.000 0.457 248 F N 1.578 121.345 119.950 -0.306 0.000 2.102 248 F HA 0.018 4.543 4.527 -0.004 0.000 0.298 248 F C 1.705 177.452 175.800 -0.089 0.000 1.105 248 F CA 1.508 59.359 58.000 -0.247 0.000 1.239 248 F CB -0.830 37.947 39.000 -0.372 0.000 0.991 248 F HN 0.336 nan 8.300 nan 0.000 0.474 249 F N -0.525 119.412 119.950 -0.022 0.000 2.134 249 F HA -0.232 4.294 4.527 -0.003 0.000 0.299 249 F C 2.411 178.131 175.800 -0.132 0.000 1.097 249 F CA 1.125 59.048 58.000 -0.128 0.000 1.264 249 F CB -1.309 37.665 39.000 -0.043 0.000 1.001 249 F HN -0.143 nan 8.300 nan 0.000 0.479 250 T N -0.335 114.264 114.554 0.076 0.000 2.607 250 T HA -0.274 4.074 4.350 -0.003 0.000 0.267 250 T C 1.208 175.887 174.700 -0.035 0.000 1.049 250 T CA 1.142 63.253 62.100 0.018 0.000 1.162 250 T CB -0.370 68.500 68.868 0.004 0.000 0.863 250 T HN 0.025 nan 8.240 nan 0.000 0.424 251 K N 1.126 121.484 120.400 -0.070 0.000 2.243 251 K HA 0.183 4.501 4.320 -0.003 0.000 0.232 251 K C -0.301 176.189 176.600 -0.185 0.000 1.237 251 K CA 0.136 56.364 56.287 -0.099 0.000 1.161 251 K CB -0.204 32.250 32.500 -0.078 0.000 1.505 251 K HN 0.059 nan 8.250 nan 0.000 0.271 252 M N 1.944 121.456 119.600 -0.147 0.000 5.437 252 M HA 0.206 4.684 4.480 -0.003 0.000 0.649 252 M C -1.093 175.143 176.300 -0.107 0.000 2.349 252 M CA 0.395 55.587 55.300 -0.179 0.000 0.357 252 M CB 0.412 32.850 32.600 -0.269 0.000 1.462 252 M HN 0.479 nan 8.290 nan 0.000 0.690 268 Q N 1.360 121.311 119.800 0.251 0.000 2.297 268 Q HA 0.187 4.525 4.340 -0.003 0.000 0.265 268 Q C -0.717 175.412 176.000 0.215 0.000 0.904 268 Q CA 0.672 56.632 55.803 0.262 0.000 0.969 268 Q CB 0.007 28.851 28.738 0.176 0.000 1.115 268 Q HN 0.389 nan 8.270 nan 0.000 0.433 269 D N -2.151 118.418 120.400 0.282 0.000 2.740 269 D HA 0.219 4.857 4.640 -0.003 0.000 0.305 269 D C -0.341 175.968 176.300 0.015 0.000 1.583 269 D CA -0.274 53.793 54.000 0.112 0.000 0.790 269 D CB -0.262 40.546 40.800 0.013 0.000 1.187 269 D HN -0.099 nan 8.370 nan 0.000 0.447 270 F N 0.117 120.124 119.950 0.096 0.000 2.846 270 F HA 0.791 5.316 4.527 -0.003 0.000 0.388 270 F C -0.069 175.784 175.800 0.088 0.000 1.259 270 F CA -1.261 56.799 58.000 0.099 0.000 1.118 270 F CB 1.359 40.452 39.000 0.155 0.000 1.512 270 F HN -0.116 nan 8.300 nan 0.000 0.502 271 V N 0.711 120.819 119.914 0.324 0.000 3.234 271 V HA 0.391 4.509 4.120 -0.003 0.000 0.280 271 V C -2.051 174.118 176.094 0.124 0.000 1.580 271 V CA -0.988 61.426 62.300 0.191 0.000 1.032 271 V CB 2.137 34.066 31.823 0.176 0.000 1.203 271 V HN 0.528 nan 8.190 nan 0.000 0.459 272 L N 5.363 126.608 121.223 0.037 0.000 2.282 272 L HA 0.578 4.916 4.340 -0.003 0.000 0.287 272 L C 0.543 177.346 176.870 -0.110 0.000 1.075 272 L CA -0.177 54.627 54.840 -0.061 0.000 0.839 272 L CB 0.783 42.766 42.059 -0.127 0.000 1.219 272 L HN 0.657 nan 8.230 nan 0.000 0.434 273 R N 1.762 122.157 120.500 -0.175 0.000 2.549 273 R HA 0.648 4.986 4.340 -0.003 0.000 0.259 273 R C -0.769 175.327 176.300 -0.339 0.000 1.095 273 R CA -0.665 55.183 56.100 -0.420 0.000 1.148 273 R CB 1.772 31.761 30.300 -0.519 0.000 1.181 273 R HN 0.277 nan 8.270 nan 0.000 0.571 274 V N 1.204 120.854 119.914 -0.440 0.000 2.617 274 V HA 0.194 4.312 4.120 -0.003 0.000 0.298 274 V C -0.137 175.776 176.094 -0.301 0.000 1.048 274 V CA -0.778 61.315 62.300 -0.344 0.000 0.964 274 V CB 1.613 33.077 31.823 -0.598 0.000 1.004 274 V HN 0.847 nan 8.190 nan 0.000 0.466 275 C N 4.105 123.291 119.300 -0.191 0.000 2.651 275 C HA 0.524 4.982 4.460 -0.003 0.000 0.410 275 C C 1.567 176.456 174.990 -0.168 0.000 1.372 275 C CA 0.739 59.651 59.018 -0.178 0.000 1.707 275 C CB -0.968 26.665 27.740 -0.178 0.000 2.501 275 C HN 1.324 nan 8.230 nan 0.000 0.598 276 G N 3.655 112.352 108.800 -0.171 0.000 2.234 276 G HA2 -0.171 3.787 3.960 -0.003 0.000 0.235 276 G HA3 -0.171 3.787 3.960 -0.003 0.000 0.235 276 G C 0.052 174.831 174.900 -0.201 0.000 0.997 276 G CA -0.141 44.868 45.100 -0.151 0.000 0.623 276 G HN 0.707 nan 8.290 nan 0.000 0.514 277 R N 0.120 120.448 120.500 -0.287 0.000 2.854 277 R HA 0.514 4.852 4.340 -0.003 0.000 0.271 277 R C -1.556 174.549 176.300 -0.326 0.000 0.996 277 R CA -0.934 54.968 56.100 -0.330 0.000 0.961 277 R CB 1.070 31.066 30.300 -0.506 0.000 1.182 277 R HN 0.014 nan 8.270 nan 0.000 0.479 278 D N 2.053 122.311 120.400 -0.236 0.000 2.563 278 D HA 0.163 4.801 4.640 -0.003 0.000 0.222 278 D C -0.815 175.442 176.300 -0.071 0.000 1.145 278 D CA 0.224 54.142 54.000 -0.138 0.000 1.001 278 D CB 0.587 41.401 40.800 0.022 0.000 1.049 278 D HN 0.278 nan 8.370 nan 0.000 0.515 279 E N 1.081 121.062 120.200 -0.365 0.000 2.281 279 E HA 0.273 4.621 4.350 -0.003 0.000 0.266 279 E C -1.584 174.778 176.600 -0.396 0.000 0.893 279 E CA -0.625 55.624 56.400 -0.252 0.000 0.798 279 E CB 0.817 30.279 29.700 -0.397 0.000 1.245 279 E HN 0.053 nan 8.360 nan 0.000 0.410 280 Y N 2.779 122.947 120.300 -0.220 0.000 2.446 280 Y HA 0.492 5.040 4.550 -0.003 0.000 0.338 280 Y C -0.495 175.317 175.900 -0.147 0.000 1.055 280 Y CA -1.174 56.815 58.100 -0.185 0.000 1.101 280 Y CB 1.143 39.489 38.460 -0.191 0.000 1.221 280 Y HN 0.362 nan 8.280 nan 0.000 0.460 281 L N 4.584 125.732 121.223 -0.125 0.000 2.314 281 L HA 0.526 4.864 4.340 -0.003 0.000 0.275 281 L C -0.639 176.135 176.870 -0.161 0.000 1.068 281 L CA -0.659 53.883 54.840 -0.496 0.000 0.894 281 L CB 0.066 41.735 42.059 -0.650 0.000 1.275 281 L HN 0.450 nan 8.230 nan 0.000 0.432 282 V N -0.155 119.839 119.914 0.134 0.000 2.932 282 V HA 1.065 5.183 4.120 -0.003 0.000 0.307 282 V C 0.155 176.410 176.094 0.269 0.000 1.147 282 V CA -0.433 61.970 62.300 0.173 0.000 0.951 282 V CB 1.269 33.156 31.823 0.106 0.000 1.031 282 V HN 0.882 nan 8.190 nan 0.000 0.426 283 G N 2.159 111.066 108.800 0.178 0.000 2.661 283 G HA2 0.016 3.974 3.960 -0.003 0.000 0.685 283 G HA3 0.016 3.974 3.960 -0.003 0.000 0.685 283 G C -0.616 174.370 174.900 0.143 0.000 1.298 283 G CA -0.347 44.837 45.100 0.140 0.000 0.855 283 G HN 1.039 nan 8.290 nan 0.000 0.560 284 E N 1.237 121.490 120.200 0.089 0.000 2.148 284 E HA 0.342 4.690 4.350 -0.003 0.000 0.308 284 E C 0.377 177.009 176.600 0.053 0.000 1.278 284 E CA 0.397 56.840 56.400 0.072 0.000 1.368 284 E CB -0.203 29.526 29.700 0.049 0.000 1.229 284 E HN 0.544 nan 8.360 nan 0.000 0.494 285 T N 1.628 116.231 114.554 0.083 0.000 2.863 285 T HA 0.420 4.768 4.350 -0.003 0.000 0.285 285 T C -2.530 172.235 174.700 0.108 0.000 1.009 285 T CA -1.927 60.178 62.100 0.008 0.000 0.989 285 T CB 1.898 70.604 68.868 -0.271 0.000 1.004 285 T HN -0.006 nan 8.240 nan 0.000 0.455 286 P HA 0.158 nan 4.420 nan 0.000 0.268 286 P C 1.359 178.758 177.300 0.165 0.000 1.204 286 P CA -0.408 62.745 63.100 0.088 0.000 0.768 286 P CB 0.269 31.995 31.700 0.044 0.000 0.842 287 I N 2.647 123.327 120.570 0.183 0.000 2.335 287 I HA -0.284 3.884 4.170 -0.003 0.000 0.251 287 I C 1.608 177.829 176.117 0.174 0.000 1.129 287 I CA 1.507 62.955 61.300 0.246 0.000 1.402 287 I CB -0.847 37.199 38.000 0.077 0.000 1.069 287 I HN 0.262 nan 8.210 nan 0.000 0.424 288 K N 0.999 121.427 120.400 0.047 0.000 2.520 288 K HA -0.116 4.202 4.320 -0.003 0.000 0.197 288 K C 0.658 177.228 176.600 -0.050 0.000 1.043 288 K CA 1.612 57.867 56.287 -0.053 0.000 0.944 288 K CB -0.463 31.971 32.500 -0.110 0.000 0.770 288 K HN 0.403 nan 8.250 nan 0.000 0.480 289 N N -0.091 118.608 118.700 -0.002 0.000 2.235 289 N HA 0.156 4.894 4.740 -0.003 0.000 0.231 289 N C -1.288 174.111 175.510 -0.186 0.000 1.177 289 N CA -0.184 52.809 53.050 -0.095 0.000 0.874 289 N CB 0.365 38.782 38.487 -0.117 0.000 1.097 289 N HN 0.055 nan 8.380 nan 0.000 0.518 290 F N 1.359 121.284 119.950 -0.042 0.000 2.410 290 F HA 0.245 4.770 4.527 -0.004 0.000 0.349 290 F C 1.853 177.596 175.800 -0.095 0.000 1.117 290 F CA -0.530 57.459 58.000 -0.019 0.000 1.104 290 F CB 1.544 40.572 39.000 0.046 0.000 1.122 290 F HN -0.193 nan 8.300 nan 0.000 0.483 291 Q N 3.662 123.403 119.800 -0.097 0.000 2.096 291 Q HA -0.275 4.062 4.340 -0.003 0.000 0.204 291 Q C 2.214 178.122 176.000 -0.153 0.000 0.982 291 Q CA 1.607 57.162 55.803 -0.413 0.000 0.850 291 Q CB -0.496 27.392 28.738 -1.416 0.000 0.901 291 Q HN 0.892 nan 8.270 nan 0.000 0.422 292 W N 0.650 121.865 121.300 -0.142 0.000 2.342 292 W HA -0.172 4.486 4.660 -0.003 0.000 0.297 292 W C 1.565 178.106 176.519 0.038 0.000 1.213 292 W CA 1.295 58.627 57.345 -0.021 0.000 1.251 292 W CB 0.217 29.700 29.460 0.038 0.000 1.136 292 W HN -0.040 nan 8.180 nan 0.000 0.526 293 V N 1.339 121.264 119.914 0.018 0.000 2.453 293 V HA -0.243 3.875 4.120 -0.003 0.000 0.247 293 V C 2.397 178.392 176.094 -0.166 0.000 1.048 293 V CA 1.955 64.191 62.300 -0.107 0.000 1.049 293 V CB -0.799 31.033 31.823 0.016 0.000 0.672 293 V HN 0.110 nan 8.190 nan 0.000 0.457 294 R N -0.516 119.908 120.500 -0.128 0.000 2.115 294 R HA -0.145 4.193 4.340 -0.003 0.000 0.226 294 R C 2.320 178.527 176.300 -0.155 0.000 1.100 294 R CA 1.548 57.556 56.100 -0.155 0.000 0.980 294 R CB -0.464 29.749 30.300 -0.145 0.000 0.875 294 R HN 0.718 nan 8.270 nan 0.000 0.445 295 H N -0.142 118.775 119.070 -0.256 0.000 2.389 295 H HA -0.079 4.475 4.556 -0.003 0.000 0.299 295 H C 1.746 176.875 175.328 -0.331 0.000 1.081 295 H CA 1.790 57.678 56.048 -0.268 0.000 1.345 295 H CB -0.158 29.437 29.762 -0.279 0.000 1.393 295 H HN 0.129 nan 8.280 nan 0.000 0.520 296 C N 0.196 119.181 119.300 -0.526 0.000 2.462 296 C HA -0.060 4.398 4.460 -0.003 0.000 0.278 296 C C 2.886 177.664 174.990 -0.353 0.000 1.253 296 C CA 0.918 59.619 59.018 -0.528 0.000 1.713 296 C CB -1.135 26.319 27.740 -0.477 0.000 2.049 296 C HN 0.573 nan 8.230 nan 0.000 0.477 297 L N 0.750 121.816 121.223 -0.262 0.000 2.079 297 L HA -0.212 4.126 4.340 -0.003 0.000 0.210 297 L C 2.677 179.444 176.870 -0.172 0.000 1.081 297 L CA 1.524 56.253 54.840 -0.185 0.000 0.752 297 L CB -0.705 41.250 42.059 -0.173 0.000 0.896 297 L HN 0.385 nan 8.230 nan 0.000 0.433 298 K N 0.630 120.910 120.400 -0.199 0.000 2.020 298 K HA -0.206 4.112 4.320 -0.003 0.000 0.212 298 K C 1.517 177.999 176.600 -0.196 0.000 1.050 298 K CA 2.334 58.522 56.287 -0.165 0.000 0.929 298 K CB -0.234 32.161 32.500 -0.175 0.000 0.714 298 K HN 0.491 nan 8.250 nan 0.000 0.443 299 N N -1.027 117.498 118.700 -0.292 0.000 2.336 299 N HA 0.059 4.797 4.740 -0.003 0.000 0.189 299 N C 0.312 175.722 175.510 -0.168 0.000 1.113 299 N CA 0.381 53.288 53.050 -0.239 0.000 0.858 299 N CB 0.894 39.187 38.487 -0.323 0.000 0.970 299 N HN 0.303 nan 8.380 nan 0.000 0.471 300 G N 1.358 110.063 108.800 -0.158 0.000 2.256 300 G HA2 -0.276 3.682 3.960 -0.003 0.000 0.272 300 G HA3 -0.276 3.682 3.960 -0.003 0.000 0.272 300 G C -0.726 174.120 174.900 -0.090 0.000 1.076 300 G CA -0.099 44.939 45.100 -0.104 0.000 0.882 300 G HN 0.451 nan 8.290 nan 0.000 0.497 301 E N 0.001 120.130 120.200 -0.119 0.000 2.212 301 E HA 0.525 4.873 4.350 -0.003 0.000 0.268 301 E C -0.027 176.557 176.600 -0.027 0.000 0.902 301 E CA -1.014 55.341 56.400 -0.074 0.000 0.779 301 E CB 1.435 31.068 29.700 -0.111 0.000 1.172 301 E HN 0.486 nan 8.360 nan 0.000 0.409 302 E N 1.452 121.697 120.200 0.073 0.000 2.418 302 E HA 0.079 4.427 4.350 -0.003 0.000 0.261 302 E C -0.367 176.359 176.600 0.209 0.000 1.070 302 E CA 0.147 56.633 56.400 0.142 0.000 0.931 302 E CB 0.580 30.425 29.700 0.241 0.000 0.954 302 E HN 0.372 nan 8.360 nan 0.000 0.439 303 I N 3.391 124.032 120.570 0.118 0.000 2.256 303 I HA 0.087 4.255 4.170 -0.003 0.000 0.294 303 I C -0.485 175.725 176.117 0.154 0.000 1.127 303 I CA -0.337 61.040 61.300 0.129 0.000 1.247 303 I CB -0.180 37.845 38.000 0.042 0.000 1.460 303 I HN 0.378 nan 8.210 nan 0.000 0.511 304 H N 4.497 123.645 119.070 0.129 0.000 2.668 304 H HA 0.463 5.017 4.556 -0.004 0.000 0.303 304 H C -0.480 174.840 175.328 -0.014 0.000 1.074 304 H CA -0.215 55.876 56.048 0.071 0.000 1.406 304 H CB 1.227 30.964 29.762 -0.042 0.000 1.442 304 H HN 0.192 nan 8.280 nan 0.000 0.482 305 V N 4.735 124.676 119.914 0.044 0.000 2.638 305 V HA 0.211 4.329 4.120 -0.003 0.000 0.306 305 V C -0.533 175.542 176.094 -0.033 0.000 1.052 305 V CA -0.821 61.458 62.300 -0.036 0.000 0.885 305 V CB 2.553 34.338 31.823 -0.063 0.000 0.999 305 V HN 0.508 nan 8.190 nan 0.000 0.424 306 V N 6.225 126.088 119.914 -0.085 0.000 2.617 306 V HA 0.541 4.659 4.120 -0.003 0.000 0.298 306 V C -0.356 175.725 176.094 -0.023 0.000 1.048 306 V CA -0.540 61.742 62.300 -0.030 0.000 0.964 306 V CB 1.754 33.550 31.823 -0.045 0.000 1.004 306 V HN 0.734 nan 8.190 nan 0.000 0.466 307 L N 7.340 128.579 121.223 0.027 0.000 2.270 307 L HA 0.574 4.912 4.340 -0.003 0.000 0.286 307 L C -0.569 176.428 176.870 0.212 0.000 1.059 307 L CA 0.178 55.072 54.840 0.089 0.000 0.839 307 L CB 0.349 42.429 42.059 0.035 0.000 1.221 307 L HN 0.857 nan 8.230 nan 0.000 0.431 308 D N 1.528 122.049 120.400 0.202 0.000 2.592 308 D HA 0.358 4.996 4.640 -0.003 0.000 0.263 308 D C -0.641 175.740 176.300 0.135 0.000 1.132 308 D CA -0.625 53.480 54.000 0.174 0.000 0.996 308 D CB 1.095 41.943 40.800 0.080 0.000 1.442 308 D HN 0.226 nan 8.370 nan 0.000 0.486 309 T N 1.054 115.611 114.554 0.006 0.000 2.897 309 T HA 0.452 4.800 4.350 -0.003 0.000 0.294 309 T C -2.277 172.420 174.700 -0.004 0.000 1.004 309 T CA -0.714 61.331 62.100 -0.090 0.000 1.106 309 T CB 0.861 69.611 68.868 -0.196 0.000 0.949 309 T HN 0.220 nan 8.240 nan 0.000 0.520 310 P HA 0.119 nan 4.420 nan 0.000 0.266 310 P C -2.304 174.961 177.300 -0.059 0.000 1.193 310 P CA -0.871 62.213 63.100 -0.028 0.000 0.770 310 P CB -0.222 31.452 31.700 -0.044 0.000 0.836 311 P HA 0.138 nan 4.420 nan 0.000 0.277 311 P C -0.787 176.458 177.300 -0.091 0.000 1.240 311 P CA -0.082 62.961 63.100 -0.095 0.000 0.798 311 P CB 0.580 32.199 31.700 -0.135 0.000 0.979 312 D N 2.299 122.659 120.400 -0.067 0.000 2.316 312 D HA 0.168 4.806 4.640 -0.003 0.000 0.245 312 D C -1.605 174.670 176.300 -0.042 0.000 1.171 312 D CA -2.377 51.591 54.000 -0.053 0.000 0.856 312 D CB 0.691 41.462 40.800 -0.049 0.000 1.090 312 D HN 0.040 nan 8.370 nan 0.000 0.476 313 P HA -0.166 nan 4.420 nan 0.000 0.218 313 P C 1.007 178.304 177.300 -0.005 0.000 1.146 313 P CA 1.393 64.493 63.100 -0.000 0.000 0.820 313 P CB 0.169 31.871 31.700 0.004 0.000 0.778 314 A N -0.467 122.340 122.820 -0.022 0.000 1.927 314 A HA -0.232 4.086 4.320 -0.003 0.000 0.220 314 A C 2.094 179.661 177.584 -0.029 0.000 1.185 314 A CA 1.815 53.836 52.037 -0.028 0.000 0.639 314 A CB -1.686 17.293 19.000 -0.035 0.000 0.820 314 A HN 0.191 nan 8.150 nan 0.000 0.451 315 L N -0.534 120.669 121.223 -0.033 0.000 2.141 315 L HA -0.136 4.202 4.340 -0.003 0.000 0.209 315 L C 1.401 178.260 176.870 -0.019 0.000 1.094 315 L CA 1.161 55.977 54.840 -0.040 0.000 0.763 315 L CB -0.526 41.500 42.059 -0.055 0.000 0.908 315 L HN 0.271 nan 8.230 nan 0.000 0.437 316 D N 0.215 120.623 120.400 0.014 0.000 2.378 316 D HA -0.099 4.539 4.640 -0.003 0.000 0.227 316 D C 0.838 177.161 176.300 0.038 0.000 1.012 316 D CA 0.306 54.353 54.000 0.077 0.000 0.905 316 D CB -0.093 40.828 40.800 0.201 0.000 0.895 316 D HN 0.451 nan 8.370 nan 0.000 0.532 317 E N 0.937 121.135 120.200 -0.004 0.000 2.442 317 E HA 0.029 4.377 4.350 -0.003 0.000 0.262 317 E C -0.598 175.980 176.600 -0.037 0.000 1.004 317 E CA -0.023 56.360 56.400 -0.028 0.000 0.928 317 E CB 0.832 30.508 29.700 -0.040 0.000 0.937 317 E HN -0.232 nan 8.360 nan 0.000 0.446 318 V N 5.146 125.030 119.914 -0.051 0.000 2.472 318 V HA 0.223 4.341 4.120 -0.003 0.000 0.290 318 V C 0.474 176.525 176.094 -0.072 0.000 1.037 318 V CA -0.565 61.703 62.300 -0.053 0.000 0.908 318 V CB 1.315 33.103 31.823 -0.059 0.000 0.985 318 V HN 0.749 nan 8.190 nan 0.000 0.454 319 R N 3.969 124.409 120.500 -0.101 0.000 2.623 319 R HA 0.099 4.437 4.340 -0.003 0.000 0.271 319 R C 0.295 176.534 176.300 -0.102 0.000 1.043 319 R CA -0.275 55.726 56.100 -0.164 0.000 1.083 319 R CB 0.366 30.444 30.300 -0.371 0.000 0.974 319 R HN 0.695 nan 8.270 nan 0.000 0.436 320 K N 3.035 123.377 120.400 -0.096 0.000 2.437 320 K HA -0.106 4.212 4.320 -0.003 0.000 0.277 320 K C -0.485 176.091 176.600 -0.040 0.000 1.073 320 K CA 0.302 56.553 56.287 -0.060 0.000 1.105 320 K CB 0.438 32.904 32.500 -0.057 0.000 0.881 320 K HN 0.492 nan 8.250 nan 0.000 0.475 321 E N 4.679 124.867 120.200 -0.021 0.000 2.070 321 E HA 0.029 4.377 4.350 -0.003 0.000 0.282 321 E C -0.554 176.048 176.600 0.004 0.000 1.104 321 E CA 0.217 56.618 56.400 0.002 0.000 0.876 321 E CB 0.528 30.229 29.700 0.002 0.000 1.055 321 E HN 0.524 nan 8.360 nan 0.000 0.401 358 D N 0.646 121.062 120.400 0.027 0.000 2.354 358 D HA 0.117 4.755 4.640 -0.003 0.000 0.209 358 D C 0.791 177.110 176.300 0.033 0.000 1.015 358 D CA 0.275 54.292 54.000 0.028 0.000 0.867 358 D CB -0.094 40.716 40.800 0.016 0.000 0.933 358 D HN 0.517 nan 8.370 nan 0.000 0.520 359 R N 2.383 122.900 120.500 0.027 0.000 2.474 359 R HA -0.123 4.215 4.340 -0.003 0.000 0.290 359 R C -0.269 176.067 176.300 0.060 0.000 0.918 359 R CA 0.253 56.366 56.100 0.022 0.000 1.130 359 R CB -0.203 30.100 30.300 0.005 0.000 0.881 359 R HN -0.116 nan 8.270 nan 0.000 0.416 360 K N 4.833 125.270 120.400 0.062 0.000 2.484 360 K HA -0.068 4.250 4.320 -0.003 0.000 0.280 360 K C 0.116 176.819 176.600 0.172 0.000 1.013 360 K CA 0.169 56.529 56.287 0.123 0.000 1.029 360 K CB 0.158 32.722 32.500 0.108 0.000 0.902 360 K HN 0.544 nan 8.250 nan 0.000 0.481 361 F N 4.200 124.213 119.950 0.106 0.000 2.595 361 F HA -0.018 4.507 4.527 -0.003 0.000 0.359 361 F C 0.483 176.445 175.800 0.269 0.000 1.147 361 F CA 0.318 58.400 58.000 0.137 0.000 1.341 361 F CB 0.525 39.567 39.000 0.070 0.000 1.104 361 F HN 0.569 nan 8.300 nan 0.000 0.603 362 R N 4.170 124.285 120.500 -0.641 0.000 2.663 362 R HA 0.764 5.102 4.340 -0.003 0.000 0.267 362 R C -2.524 173.660 176.300 -0.194 0.000 1.038 362 R CA -1.181 54.844 56.100 -0.125 0.000 0.886 362 R CB 1.617 31.934 30.300 0.027 0.000 1.249 362 R HN 0.613 nan 8.270 nan 0.000 0.463 363 V N 1.490 121.536 119.914 0.220 0.000 2.760 363 V HA 0.457 4.575 4.120 -0.003 0.000 0.309 363 V C -1.128 174.944 176.094 -0.036 0.000 1.077 363 V CA -0.884 61.508 62.300 0.153 0.000 0.910 363 V CB 2.203 34.196 31.823 0.282 0.000 1.008 363 V HN 0.823 nan 8.190 nan 0.000 0.424 364 K N 6.669 126.783 120.400 -0.477 0.000 2.253 364 K HA 0.484 4.802 4.320 -0.003 0.000 0.277 364 K C -0.816 175.524 176.600 -0.433 0.000 1.053 364 K CA -0.647 55.095 56.287 -0.909 0.000 0.892 364 K CB 0.701 32.223 32.500 -1.630 0.000 1.102 364 K HN 0.545 nan 8.250 nan 0.000 0.469 365 I N 6.071 126.455 120.570 -0.310 0.000 2.352 365 I HA 0.160 4.328 4.170 -0.003 0.000 0.290 365 I C 1.279 177.327 176.117 -0.116 0.000 1.036 365 I CA -0.119 61.069 61.300 -0.188 0.000 1.336 365 I CB 0.879 38.747 38.000 -0.219 0.000 1.407 365 I HN 0.741 nan 8.210 nan 0.000 0.497 366 R N 4.126 124.585 120.500 -0.069 0.000 2.074 366 R HA 0.433 4.771 4.340 -0.003 0.000 0.218 366 R C 0.808 177.172 176.300 0.106 0.000 1.137 366 R CA 0.387 56.478 56.100 -0.015 0.000 0.998 366 R CB 0.167 30.435 30.300 -0.052 0.000 0.895 366 R HN 0.753 nan 8.270 nan 0.000 0.442 367 G N 1.112 109.979 108.800 0.112 0.000 2.466 367 G HA2 0.402 4.360 3.960 -0.003 0.000 0.291 367 G HA3 0.402 4.360 3.960 -0.003 0.000 0.291 367 G C -1.331 173.644 174.900 0.125 0.000 1.460 367 G CA -0.880 44.343 45.100 0.205 0.000 0.791 367 G HN 0.196 nan 8.290 nan 0.000 0.505 368 I N -1.923 118.749 120.570 0.170 0.000 2.822 368 I HA 0.954 5.122 4.170 -0.003 0.000 0.312 368 I C -1.146 174.977 176.117 0.012 0.000 1.011 368 I CA -0.912 60.418 61.300 0.049 0.000 1.105 368 I CB 2.517 40.553 38.000 0.060 0.000 1.291 368 I HN 0.439 nan 8.210 nan 0.000 0.474 369 D N 3.052 123.422 120.400 -0.051 0.000 2.937 369 D HA 0.560 5.198 4.640 -0.003 0.000 0.215 369 D C -1.675 174.581 176.300 -0.074 0.000 1.274 369 D CA -0.330 53.646 54.000 -0.040 0.000 0.869 369 D CB 2.449 43.217 40.800 -0.054 0.000 1.675 369 D HN 0.809 nan 8.370 nan 0.000 0.538 370 I N 4.109 124.667 120.570 -0.019 0.000 2.569 370 I HA 0.466 4.634 4.170 -0.003 0.000 0.290 370 I C -2.057 174.052 176.117 -0.013 0.000 1.088 370 I CA -2.585 58.697 61.300 -0.031 0.000 1.047 370 I CB 2.564 40.571 38.000 0.010 0.000 1.237 370 I HN 0.260 nan 8.210 nan 0.000 0.421 371 P HA -0.097 nan 4.420 nan 0.000 0.215 371 P C -0.494 176.796 177.300 -0.017 0.000 1.157 371 P CA 1.194 64.287 63.100 -0.010 0.000 0.868 371 P CB -0.045 31.653 31.700 -0.004 0.000 0.788 372 V N -3.631 116.273 119.914 -0.017 0.000 2.509 372 V HA 0.250 4.368 4.120 -0.003 0.000 0.289 372 V C 0.848 176.915 176.094 -0.046 0.000 1.026 372 V CA -0.897 61.382 62.300 -0.034 0.000 0.872 372 V CB 0.903 32.713 31.823 -0.021 0.000 1.017 372 V HN -0.081 nan 8.190 nan 0.000 0.436 373 L N 2.263 123.408 121.223 -0.129 0.000 2.095 373 L HA 0.496 4.834 4.340 -0.003 0.000 0.204 373 L C -1.106 175.646 176.870 -0.196 0.000 1.080 373 L CA 0.471 55.162 54.840 -0.249 0.000 0.759 373 L CB -2.424 39.200 42.059 -0.725 0.000 0.914 373 L HN 0.481 nan 8.230 nan 0.000 0.439 374 P HA -0.088 nan 4.420 nan 0.000 0.267 374 P C -0.352 176.906 177.300 -0.070 0.000 1.145 374 P CA 1.108 64.141 63.100 -0.112 0.000 0.753 374 P CB 0.383 32.042 31.700 -0.068 0.000 0.748 375 R N 1.693 122.160 120.500 -0.056 0.000 5.615 375 R HA 0.311 4.649 4.340 -0.003 0.000 0.087 375 R C 0.620 176.915 176.300 -0.008 0.000 0.786 375 R CA -0.237 55.851 56.100 -0.021 0.000 0.846 375 R CB -0.241 30.053 30.300 -0.010 0.000 1.105 375 R HN 0.350 nan 8.270 nan 0.000 0.383 376 N N -1.359 117.340 118.700 -0.001 0.000 2.842 376 N HA 0.156 4.894 4.740 -0.003 0.000 0.345 376 N C -0.811 174.708 175.510 0.014 0.000 0.919 376 N CA 0.938 53.992 53.050 0.007 0.000 1.631 376 N CB 0.834 39.331 38.487 0.018 0.000 0.873 376 N HN 0.276 nan 8.380 nan 0.000 1.548 377 T N 2.021 116.596 114.554 0.034 0.000 2.907 377 T HA 0.219 4.567 4.350 -0.003 0.000 0.284 377 T C -0.574 174.169 174.700 0.072 0.000 1.004 377 T CA -0.366 61.761 62.100 0.046 0.000 1.063 377 T CB 1.285 70.182 68.868 0.048 0.000 0.992 377 T HN 0.294 nan 8.240 nan 0.000 0.483 378 D N 1.739 122.185 120.400 0.075 0.000 2.977 378 D HA 0.010 4.648 4.640 -0.003 0.000 0.241 378 D C 0.380 176.772 176.300 0.154 0.000 1.206 378 D CA -0.380 53.686 54.000 0.111 0.000 0.902 378 D CB -0.421 40.428 40.800 0.081 0.000 1.131 378 D HN 0.144 nan 8.370 nan 0.000 0.447 379 L N 1.169 122.495 121.223 0.172 0.000 2.525 379 L HA 0.043 4.381 4.340 -0.003 0.000 0.278 379 L C 1.034 178.017 176.870 0.189 0.000 1.218 379 L CA 0.593 55.532 54.840 0.164 0.000 0.878 379 L CB 0.486 42.640 42.059 0.159 0.000 1.127 379 L HN 0.325 nan 8.230 nan 0.000 0.492 380 T N 3.754 118.401 114.554 0.154 0.000 2.709 380 T HA 0.151 4.499 4.350 -0.003 0.000 0.345 380 T C -0.211 174.580 174.700 0.151 0.000 1.086 380 T CA -0.166 62.028 62.100 0.156 0.000 1.084 380 T CB 0.294 69.257 68.868 0.159 0.000 1.000 380 T HN 0.443 nan 8.240 nan 0.000 0.549 381 V N 4.548 124.554 119.914 0.153 0.000 2.891 381 V HA 0.693 4.811 4.120 -0.003 0.000 0.304 381 V C -0.837 175.455 176.094 0.330 0.000 1.171 381 V CA -0.781 61.554 62.300 0.058 0.000 0.943 381 V CB 1.704 33.315 31.823 -0.353 0.000 1.037 381 V HN 0.933 nan 8.190 nan 0.000 0.427 382 F N 3.377 123.408 119.950 0.134 0.000 2.643 382 F HA 0.944 5.469 4.527 -0.003 0.000 0.314 382 F C -0.997 174.771 175.800 -0.053 0.000 1.096 382 F CA -1.229 56.817 58.000 0.078 0.000 0.953 382 F CB 1.407 40.445 39.000 0.064 0.000 1.345 382 F HN 0.215 nan 8.300 nan 0.000 0.468 383 V N 0.692 120.523 119.914 -0.139 0.000 2.837 383 V HA 0.431 4.549 4.120 -0.003 0.000 0.310 383 V C -0.726 175.423 176.094 0.091 0.000 1.059 383 V CA -0.648 61.552 62.300 -0.167 0.000 1.004 383 V CB 1.623 33.237 31.823 -0.350 0.000 1.045 383 V HN 0.865 nan 8.190 nan 0.000 0.465 384 E N 1.851 122.110 120.200 0.099 0.000 2.279 384 E HA 0.613 4.961 4.350 -0.003 0.000 0.252 384 E C -0.902 175.781 176.600 0.138 0.000 0.894 384 E CA -0.593 55.924 56.400 0.196 0.000 0.785 384 E CB 1.473 31.385 29.700 0.352 0.000 1.237 384 E HN 0.838 nan 8.360 nan 0.000 0.418 385 A N 4.948 127.859 122.820 0.152 0.000 2.252 385 A HA 0.450 4.768 4.320 -0.003 0.000 0.309 385 A C -0.567 177.242 177.584 0.376 0.000 1.285 385 A CA -0.505 51.687 52.037 0.257 0.000 0.900 385 A CB 0.337 19.541 19.000 0.341 0.000 1.157 385 A HN 0.715 nan 8.150 nan 0.000 0.536 386 N N 2.058 120.881 118.700 0.204 0.000 2.238 386 N HA 0.484 5.221 4.740 -0.003 0.000 0.302 386 N C -1.300 174.159 175.510 -0.086 0.000 1.072 386 N CA -0.576 52.539 53.050 0.109 0.000 0.792 386 N CB 2.110 40.640 38.487 0.072 0.000 1.425 386 N HN 0.513 nan 8.380 nan 0.000 0.478 387 I N 2.323 122.777 120.570 -0.194 0.000 2.330 387 I HA 0.197 4.365 4.170 -0.003 0.000 0.286 387 I C -0.166 175.849 176.117 -0.170 0.000 1.025 387 I CA -0.313 60.792 61.300 -0.324 0.000 1.197 387 I CB 0.836 38.504 38.000 -0.554 0.000 1.358 387 I HN 0.330 nan 8.210 nan 0.000 0.467 388 Q N 4.846 124.564 119.800 -0.136 0.000 2.301 388 Q HA 0.455 4.793 4.340 -0.003 0.000 0.267 388 Q C -0.737 175.232 176.000 -0.051 0.000 1.035 388 Q CA -0.714 55.043 55.803 -0.078 0.000 0.856 388 Q CB 2.986 31.676 28.738 -0.079 0.000 1.337 388 Q HN 0.489 nan 8.270 nan 0.000 0.450 389 H N -0.138 118.845 119.070 -0.144 0.000 3.172 389 H HA 0.224 4.778 4.556 -0.003 0.000 0.322 389 H C -0.059 175.136 175.328 -0.222 0.000 1.003 389 H CA 0.536 56.469 56.048 -0.191 0.000 1.466 389 H CB 1.076 30.731 29.762 -0.178 0.000 1.673 389 H HN 0.955 nan 8.280 nan 0.000 0.512 390 G N 5.106 113.687 108.800 -0.365 0.000 2.314 390 G HA2 -0.308 3.650 3.960 -0.003 0.000 0.292 390 G HA3 -0.308 3.650 3.960 -0.003 0.000 0.292 390 G C 0.601 175.387 174.900 -0.190 0.000 1.059 390 G CA 0.924 45.843 45.100 -0.302 0.000 0.982 390 G HN 0.848 nan 8.290 nan 0.000 0.505 391 Q N -2.806 116.913 119.800 -0.134 0.000 2.261 391 Q HA -0.276 4.061 4.340 -0.003 0.000 0.155 391 Q C 0.959 176.927 176.000 -0.054 0.000 0.598 391 Q CA 2.097 57.851 55.803 -0.083 0.000 1.376 391 Q CB -1.062 27.626 28.738 -0.083 0.000 1.356 391 Q HN 0.863 nan 8.270 nan 0.000 0.947 392 Q N 1.507 121.277 119.800 -0.051 0.000 2.300 392 Q HA 0.254 4.592 4.340 -0.003 0.000 0.280 392 Q C -0.545 175.451 176.000 -0.007 0.000 1.033 392 Q CA 0.046 55.841 55.803 -0.013 0.000 0.903 392 Q CB 0.779 29.532 28.738 0.026 0.000 1.195 392 Q HN 0.087 nan 8.270 nan 0.000 0.386 393 V N 6.063 125.975 119.914 -0.003 0.000 2.465 393 V HA 0.081 4.199 4.120 -0.003 0.000 0.279 393 V C 1.011 177.104 176.094 -0.002 0.000 1.045 393 V CA -0.169 62.130 62.300 -0.003 0.000 0.938 393 V CB 1.215 33.045 31.823 0.012 0.000 0.986 393 V HN 0.847 nan 8.190 nan 0.000 0.467 394 L N 2.448 123.659 121.223 -0.019 0.000 2.286 394 L HA 0.283 4.621 4.340 -0.003 0.000 0.203 394 L C 0.828 177.700 176.870 0.002 0.000 1.068 394 L CA 0.833 55.659 54.840 -0.024 0.000 0.811 394 L CB 0.412 42.434 42.059 -0.061 0.000 0.989 394 L HN 0.686 nan 8.230 nan 0.000 0.467 395 C N -0.969 118.343 119.300 0.019 0.000 3.323 395 C HA 0.617 5.075 4.460 -0.003 0.000 0.324 395 C C -1.295 173.825 174.990 0.216 0.000 1.428 395 C CA -0.345 58.755 59.018 0.138 0.000 1.368 395 C CB 2.239 30.120 27.740 0.235 0.000 1.731 395 C HN 0.433 nan 8.230 nan 0.000 0.455 396 Q N 1.932 121.903 119.800 0.284 0.000 2.386 396 Q HA 0.663 5.001 4.340 -0.003 0.000 0.274 396 Q C -1.604 174.469 176.000 0.122 0.000 1.011 396 Q CA -0.575 55.382 55.803 0.256 0.000 0.867 396 Q CB 1.613 30.431 28.738 0.132 0.000 1.409 396 Q HN 0.764 nan 8.270 nan 0.000 0.395 397 R N 1.760 122.292 120.500 0.054 0.000 2.739 397 R HA 0.642 4.980 4.340 -0.003 0.000 0.271 397 R C -0.940 175.327 176.300 -0.054 0.000 1.010 397 R CA -0.660 55.365 56.100 -0.125 0.000 0.897 397 R CB 2.098 32.131 30.300 -0.446 0.000 1.236 397 R HN 0.781 nan 8.270 nan 0.000 0.466 398 R N -0.432 120.015 120.500 -0.088 0.000 2.947 398 R HA 0.642 4.980 4.340 -0.003 0.000 0.253 398 R C -0.407 175.810 176.300 -0.138 0.000 1.208 398 R CA -0.905 55.162 56.100 -0.056 0.000 1.012 398 R CB 1.805 32.060 30.300 -0.074 0.000 1.267 398 R HN 0.781 nan 8.270 nan 0.000 0.473 399 T N -2.254 112.212 114.554 -0.148 0.000 2.916 399 T HA 0.325 4.673 4.350 -0.003 0.000 0.292 399 T C 0.012 174.747 174.700 0.058 0.000 1.064 399 T CA -0.922 61.039 62.100 -0.232 0.000 1.011 399 T CB 1.611 69.892 68.868 -0.978 0.000 1.152 399 T HN 0.588 nan 8.240 nan 0.000 0.510 400 S N 1.626 117.497 115.700 0.284 0.000 2.525 400 S HA 0.273 4.741 4.470 -0.003 0.000 0.285 400 S C -2.584 172.261 174.600 0.409 0.000 1.283 400 S CA -0.791 57.578 58.200 0.282 0.000 1.072 400 S CB -0.700 62.657 63.200 0.263 0.000 0.867 400 S HN 0.600 nan 8.310 nan 0.000 0.492 401 P HA 0.243 nan 4.420 nan 0.000 0.267 401 P C -0.690 176.745 177.300 0.225 0.000 1.205 401 P CA -0.118 63.161 63.100 0.297 0.000 0.765 401 P CB 0.328 32.121 31.700 0.155 0.000 0.828 402 K N 4.563 125.096 120.400 0.221 0.000 2.378 402 K HA 0.468 4.786 4.320 -0.003 0.000 0.252 402 K C -2.723 173.915 176.600 0.063 0.000 0.931 402 K CA -2.525 53.792 56.287 0.050 0.000 0.794 402 K CB 1.446 33.850 32.500 -0.160 0.000 1.181 402 K HN 0.181 nan 8.250 nan 0.000 0.425 403 P HA -0.100 nan 4.420 nan 0.000 0.264 403 P C -0.610 176.782 177.300 0.154 0.000 1.183 403 P CA -0.002 63.160 63.100 0.104 0.000 0.763 403 P CB 0.213 31.958 31.700 0.075 0.000 0.807 404 F N 4.065 124.044 119.950 0.048 0.000 2.571 404 F HA 0.209 4.734 4.527 -0.003 0.000 0.384 404 F C 0.817 176.628 175.800 0.018 0.000 1.058 404 F CA 0.434 58.463 58.000 0.047 0.000 1.200 404 F CB -0.530 38.509 39.000 0.065 0.000 1.077 404 F HN 0.205 nan 8.300 nan 0.000 0.558 405 T N 1.438 116.251 114.554 0.431 0.000 2.903 405 T HA 0.345 4.692 4.350 -0.003 0.000 0.299 405 T C 0.704 175.524 174.700 0.200 0.000 1.093 405 T CA -0.733 61.479 62.100 0.187 0.000 1.002 405 T CB 1.528 70.441 68.868 0.073 0.000 1.127 405 T HN 0.442 nan 8.240 nan 0.000 0.488 406 E N 0.549 120.789 120.200 0.067 0.000 2.233 406 E HA -0.091 4.257 4.350 -0.003 0.000 0.199 406 E C 0.579 177.220 176.600 0.069 0.000 1.004 406 E CA 1.395 57.826 56.400 0.052 0.000 0.819 406 E CB 0.132 29.829 29.700 -0.005 0.000 0.738 406 E HN 0.719 nan 8.360 nan 0.000 0.478 407 E N -0.165 120.062 120.200 0.045 0.000 2.222 407 E HA 0.394 4.742 4.350 -0.003 0.000 0.267 407 E C -1.617 174.975 176.600 -0.014 0.000 0.884 407 E CA -0.667 55.742 56.400 0.015 0.000 0.764 407 E CB 1.617 31.310 29.700 -0.012 0.000 1.169 407 E HN -0.182 nan 8.360 nan 0.000 0.413 408 V N 5.199 125.089 119.914 -0.040 0.000 2.567 408 V HA 0.377 4.495 4.120 -0.003 0.000 0.298 408 V C -0.629 175.354 176.094 -0.185 0.000 1.047 408 V CA -0.736 61.451 62.300 -0.187 0.000 0.880 408 V CB 1.225 32.897 31.823 -0.252 0.000 1.009 408 V HN 0.618 nan 8.190 nan 0.000 0.429 409 L N 3.679 124.746 121.223 -0.259 0.000 2.322 409 L HA 0.527 4.865 4.340 -0.003 0.000 0.281 409 L C 0.266 177.015 176.870 -0.202 0.000 1.014 409 L CA -0.197 54.570 54.840 -0.123 0.000 0.815 409 L CB 2.281 44.293 42.059 -0.079 0.000 1.247 409 L HN 0.666 nan 8.230 nan 0.000 0.421 410 W N 0.764 122.036 121.300 -0.047 0.000 2.952 410 W HA 0.066 4.724 4.660 -0.003 0.000 0.251 410 W C 1.175 177.658 176.519 -0.059 0.000 1.144 410 W CA 0.167 57.486 57.345 -0.044 0.000 1.551 410 W CB 0.260 29.692 29.460 -0.048 0.000 0.978 410 W HN 0.834 nan 8.180 nan 0.000 0.648 411 N N 0.167 118.951 118.700 0.141 0.000 2.713 411 N HA -0.189 4.549 4.740 -0.003 0.000 0.251 411 N C -0.751 174.726 175.510 -0.054 0.000 1.117 411 N CA 0.662 53.714 53.050 0.004 0.000 0.770 411 N CB -1.236 37.258 38.487 0.011 0.000 1.137 411 N HN -0.233 nan 8.380 nan 0.000 0.566 412 V N 0.571 120.484 119.914 -0.003 0.000 2.546 412 V HA 0.276 4.394 4.120 -0.003 0.000 0.284 412 V C 0.441 176.439 176.094 -0.159 0.000 1.050 412 V CA -0.315 61.981 62.300 -0.007 0.000 0.981 412 V CB 0.608 32.466 31.823 0.058 0.000 0.990 412 V HN 0.221 nan 8.190 nan 0.000 0.474 413 W N 5.337 126.625 121.300 -0.019 0.000 2.358 413 W HA 0.500 5.158 4.660 -0.003 0.000 0.307 413 W C -0.129 176.330 176.519 -0.100 0.000 1.203 413 W CA -0.395 56.918 57.345 -0.053 0.000 1.279 413 W CB 0.644 30.076 29.460 -0.046 0.000 1.264 413 W HN 0.346 nan 8.180 nan 0.000 0.474 414 L N 3.844 125.108 121.223 0.069 0.000 2.260 414 L HA 0.200 4.538 4.340 -0.003 0.000 0.289 414 L C 0.308 177.087 176.870 -0.151 0.000 1.057 414 L CA -0.573 54.184 54.840 -0.139 0.000 0.811 414 L CB 0.828 42.698 42.059 -0.315 0.000 1.184 414 L HN 0.340 nan 8.230 nan 0.000 0.429 415 E N 4.129 124.237 120.200 -0.153 0.000 2.014 415 E HA 0.286 4.634 4.350 -0.003 0.000 0.275 415 E C -0.857 175.686 176.600 -0.095 0.000 0.997 415 E CA -0.245 56.119 56.400 -0.060 0.000 0.804 415 E CB 0.322 30.004 29.700 -0.031 0.000 1.090 415 E HN 0.190 nan 8.360 nan 0.000 0.401 416 F N 1.803 121.840 119.950 0.145 0.000 2.399 416 F HA 0.112 4.637 4.527 -0.003 0.000 0.313 416 F C 2.010 177.873 175.800 0.105 0.000 1.202 416 F CA 0.649 58.743 58.000 0.156 0.000 1.192 416 F CB 1.027 40.193 39.000 0.277 0.000 1.256 416 F HN 0.643 nan 8.300 nan 0.000 0.558 417 S N 0.337 116.222 115.700 0.309 0.000 2.441 417 S HA 0.109 4.577 4.470 -0.003 0.000 0.224 417 S C 0.612 175.298 174.600 0.143 0.000 1.043 417 S CA 0.038 58.338 58.200 0.166 0.000 0.948 417 S CB -0.186 63.083 63.200 0.115 0.000 0.810 417 S HN 0.250 nan 8.310 nan 0.000 0.504 418 I N 3.373 124.033 120.570 0.150 0.000 2.710 418 I HA 0.206 4.374 4.170 -0.003 0.000 0.286 418 I C 0.548 176.735 176.117 0.117 0.000 1.181 418 I CA -0.261 61.087 61.300 0.079 0.000 1.430 418 I CB -0.227 37.768 38.000 -0.008 0.000 1.367 418 I HN 0.287 nan 8.210 nan 0.000 0.577 419 K N 5.705 126.151 120.400 0.076 0.000 2.298 419 K HA 0.228 4.546 4.320 -0.003 0.000 0.280 419 K C 1.179 177.839 176.600 0.100 0.000 1.032 419 K CA -0.723 55.617 56.287 0.088 0.000 0.958 419 K CB 1.307 33.839 32.500 0.052 0.000 0.978 419 K HN 0.351 nan 8.250 nan 0.000 0.472 420 I N 2.342 123.000 120.570 0.145 0.000 2.143 420 I HA -0.321 3.847 4.170 -0.003 0.000 0.245 420 I C 1.874 178.050 176.117 0.100 0.000 1.068 420 I CA 1.822 63.221 61.300 0.165 0.000 1.326 420 I CB -0.567 37.530 38.000 0.163 0.000 1.028 420 I HN 0.613 nan 8.210 nan 0.000 0.412 421 K N 0.591 121.035 120.400 0.073 0.000 2.439 421 K HA -0.084 4.234 4.320 -0.003 0.000 0.197 421 K C 1.303 177.922 176.600 0.031 0.000 1.041 421 K CA 0.625 56.944 56.287 0.053 0.000 0.970 421 K CB -0.095 32.430 32.500 0.042 0.000 0.773 421 K HN 0.234 nan 8.250 nan 0.000 0.479 422 D N -0.099 120.314 120.400 0.021 0.000 2.340 422 D HA 0.017 4.655 4.640 -0.003 0.000 0.220 422 D C -0.153 176.136 176.300 -0.018 0.000 1.039 422 D CA 0.140 54.137 54.000 -0.005 0.000 0.866 422 D CB 0.246 41.040 40.800 -0.011 0.000 0.913 422 D HN 0.162 nan 8.370 nan 0.000 0.523 423 L N 2.994 124.210 121.223 -0.012 0.000 2.455 423 L HA 0.157 4.495 4.340 -0.003 0.000 0.272 423 L C -1.948 174.922 176.870 -0.001 0.000 1.174 423 L CA -1.156 53.658 54.840 -0.043 0.000 0.869 423 L CB 0.472 42.490 42.059 -0.067 0.000 1.130 423 L HN -0.171 nan 8.230 nan 0.000 0.474 424 P HA 0.205 nan 4.420 nan 0.000 0.290 424 P C -1.014 176.359 177.300 0.121 0.000 1.275 424 P CA -0.927 62.214 63.100 0.069 0.000 0.841 424 P CB 1.305 33.005 31.700 -0.000 0.000 1.042 425 K N 1.077 121.569 120.400 0.153 0.000 2.518 425 K HA 0.226 4.544 4.320 -0.003 0.000 0.276 425 K C 0.867 177.542 176.600 0.125 0.000 0.974 425 K CA 1.032 57.400 56.287 0.134 0.000 0.986 425 K CB -0.580 31.997 32.500 0.129 0.000 0.901 425 K HN 0.821 nan 8.250 nan 0.000 0.497 426 G N 1.401 110.230 108.800 0.048 0.000 2.314 426 G HA2 -0.218 3.740 3.960 -0.003 0.000 0.292 426 G HA3 -0.218 3.740 3.960 -0.003 0.000 0.292 426 G C -0.285 174.476 174.900 -0.232 0.000 1.059 426 G CA 0.251 45.214 45.100 -0.228 0.000 0.982 426 G HN 0.772 nan 8.290 nan 0.000 0.505 427 A N 0.081 122.820 122.820 -0.134 0.000 2.288 427 A HA 0.820 5.138 4.320 -0.003 0.000 0.320 427 A C 0.110 177.579 177.584 -0.192 0.000 1.217 427 A CA -0.557 51.408 52.037 -0.120 0.000 0.840 427 A CB 0.999 19.952 19.000 -0.080 0.000 1.179 427 A HN 0.754 nan 8.150 nan 0.000 0.504 428 L N 2.439 123.545 121.223 -0.195 0.000 2.289 428 L HA 0.371 4.709 4.340 -0.003 0.000 0.285 428 L C -0.202 176.554 176.870 -0.190 0.000 1.049 428 L CA -0.763 53.968 54.840 -0.181 0.000 0.804 428 L CB 1.629 43.601 42.059 -0.145 0.000 1.195 428 L HN 0.718 nan 8.230 nan 0.000 0.428 429 L N 5.052 126.165 121.223 -0.185 0.000 2.363 429 L HA 0.216 4.554 4.340 -0.003 0.000 0.286 429 L C 0.194 177.020 176.870 -0.074 0.000 1.106 429 L CA 0.449 55.192 54.840 -0.161 0.000 0.859 429 L CB -0.016 41.969 42.059 -0.122 0.000 1.223 429 L HN 0.567 nan 8.230 nan 0.000 0.446 430 N N 6.077 124.750 118.700 -0.045 0.000 2.422 430 N HA 0.219 4.957 4.740 -0.003 0.000 0.264 430 N C -1.373 174.165 175.510 0.047 0.000 1.063 430 N CA -0.361 52.699 53.050 0.016 0.000 0.959 430 N CB 0.695 39.192 38.487 0.016 0.000 1.087 430 N HN 0.667 nan 8.380 nan 0.000 0.483 431 L N 2.830 124.087 121.223 0.056 0.000 2.313 431 L HA 0.402 4.740 4.340 -0.003 0.000 0.283 431 L C -0.100 176.797 176.870 0.045 0.000 1.013 431 L CA -0.525 54.339 54.840 0.041 0.000 0.816 431 L CB 1.881 43.942 42.059 0.002 0.000 1.236 431 L HN 0.492 nan 8.230 nan 0.000 0.419 432 Q N 3.069 122.874 119.800 0.008 0.000 2.421 432 Q HA 0.658 4.996 4.340 -0.003 0.000 0.280 432 Q C -1.389 174.496 176.000 -0.192 0.000 1.085 432 Q CA -0.665 55.094 55.803 -0.073 0.000 0.807 432 Q CB 3.598 32.281 28.738 -0.091 0.000 1.405 432 Q HN 0.501 nan 8.270 nan 0.000 0.419 433 I N 2.337 122.707 120.570 -0.333 0.000 2.468 433 I HA 0.373 4.541 4.170 -0.003 0.000 0.284 433 I C -1.437 174.355 176.117 -0.543 0.000 1.038 433 I CA -0.472 60.629 61.300 -0.332 0.000 1.083 433 I CB 0.956 38.914 38.000 -0.069 0.000 1.223 433 I HN 0.558 nan 8.210 nan 0.000 0.443 434 Y N 4.622 124.568 120.300 -0.590 0.000 2.621 434 Y HA 0.670 5.218 4.550 -0.003 0.000 0.334 434 Y C 0.466 176.089 175.900 -0.462 0.000 1.074 434 Y CA -0.589 57.176 58.100 -0.559 0.000 1.149 434 Y CB 1.650 39.620 38.460 -0.817 0.000 1.302 434 Y HN 0.607 nan 8.280 nan 0.000 0.501 461 L N 3.356 124.374 121.223 -0.340 0.000 2.433 461 L HA 0.367 4.705 4.340 -0.003 0.000 0.200 461 L C -0.512 176.000 176.870 -0.597 0.000 1.059 461 L CA 0.283 54.862 54.840 -0.435 0.000 0.835 461 L CB 0.228 42.044 42.059 -0.405 0.000 1.076 461 L HN 0.481 nan 8.230 nan 0.000 0.481 462 Y N -1.131 119.135 120.300 -0.056 0.000 2.553 462 Y HA 0.511 5.059 4.550 -0.003 0.000 0.347 462 Y C -0.780 175.157 175.900 0.062 0.000 1.019 462 Y CA -1.478 56.627 58.100 0.010 0.000 1.032 462 Y CB 1.651 40.081 38.460 -0.050 0.000 1.284 462 Y HN -0.017 nan 8.280 nan 0.000 0.466 463 Y N -0.711 119.698 120.300 0.181 0.000 2.588 463 Y HA 0.896 5.444 4.550 -0.003 0.000 0.343 463 Y C -2.007 174.011 175.900 0.197 0.000 1.065 463 Y CA -1.480 56.690 58.100 0.116 0.000 1.038 463 Y CB 1.679 40.185 38.460 0.077 0.000 1.297 463 Y HN 0.595 nan 8.280 nan 0.000 0.467 464 V N 2.225 122.245 119.914 0.178 0.000 3.120 464 V HA 0.570 4.688 4.120 -0.003 0.000 0.303 464 V C -1.937 174.244 176.094 0.145 0.000 1.238 464 V CA -0.716 61.653 62.300 0.115 0.000 1.008 464 V CB 2.487 34.280 31.823 -0.050 0.000 1.064 464 V HN 1.001 nan 8.190 nan 0.000 0.434 465 N N 2.952 121.733 118.700 0.135 0.000 2.312 465 N HA 0.798 5.536 4.740 -0.003 0.000 0.296 465 N C -1.778 173.736 175.510 0.005 0.000 1.193 465 N CA -0.405 52.684 53.050 0.066 0.000 0.773 465 N CB 2.322 40.856 38.487 0.077 0.000 1.435 465 N HN 0.598 nan 8.380 nan 0.000 0.484 466 L N 0.949 122.137 121.223 -0.058 0.000 2.516 466 L HA 0.467 4.804 4.340 -0.003 0.000 0.267 466 L C -1.421 175.375 176.870 -0.124 0.000 0.957 466 L CA -0.395 54.383 54.840 -0.103 0.000 0.860 466 L CB 1.278 43.198 42.059 -0.232 0.000 1.265 466 L HN 0.462 nan 8.230 nan 0.000 0.403 467 L N 5.929 127.088 121.223 -0.107 0.000 2.477 467 L HA 0.098 4.436 4.340 -0.003 0.000 0.272 467 L C 1.236 178.042 176.870 -0.106 0.000 1.157 467 L CA 0.074 54.830 54.840 -0.139 0.000 0.889 467 L CB 0.706 42.671 42.059 -0.157 0.000 1.158 467 L HN 0.799 nan 8.230 nan 0.000 0.473 468 L N 4.577 125.726 121.223 -0.124 0.000 2.095 468 L HA 0.028 4.366 4.340 -0.003 0.000 0.204 468 L C 0.761 177.615 176.870 -0.027 0.000 1.080 468 L CA 0.994 55.781 54.840 -0.089 0.000 0.759 468 L CB 0.044 41.991 42.059 -0.187 0.000 0.914 468 L HN 0.515 nan 8.230 nan 0.000 0.439 469 I N 0.526 121.085 120.570 -0.019 0.000 2.359 469 I HA 0.101 4.269 4.170 -0.003 0.000 0.294 469 I C -0.249 175.908 176.117 0.066 0.000 0.987 469 I CA -0.778 60.534 61.300 0.020 0.000 1.225 469 I CB 1.312 39.328 38.000 0.026 0.000 1.366 469 I HN 0.122 nan 8.210 nan 0.000 0.466 470 D N 4.736 125.134 120.400 -0.002 0.000 2.507 470 D HA 0.044 4.682 4.640 -0.003 0.000 0.280 470 D C 1.010 177.198 176.300 -0.188 0.000 1.219 470 D CA -0.102 53.892 54.000 -0.008 0.000 1.085 470 D CB 0.238 40.944 40.800 -0.156 0.000 1.134 470 D HN 0.607 nan 8.370 nan 0.000 0.583 471 H N -1.194 117.722 119.070 -0.257 0.000 2.556 471 H HA 0.197 4.751 4.556 -0.003 0.000 0.268 471 H C 0.195 175.242 175.328 -0.470 0.000 0.996 471 H CA 0.189 55.917 56.048 -0.533 0.000 1.157 471 H CB -0.065 29.380 29.762 -0.528 0.000 1.355 471 H HN 0.277 nan 8.280 nan 0.000 0.597 472 R N 0.093 120.329 120.500 -0.441 0.000 2.700 472 R HA 0.115 4.453 4.340 -0.003 0.000 0.399 472 R C -0.639 175.802 176.300 0.234 0.000 1.115 472 R CA -0.524 55.536 56.100 -0.067 0.000 1.058 472 R CB 0.001 30.181 30.300 -0.200 0.000 1.389 472 R HN 0.031 nan 8.270 nan 0.000 0.582 473 F N 0.169 120.029 119.950 -0.150 0.000 3.084 473 F HA -0.276 4.249 4.527 -0.004 0.000 0.286 473 F C -0.126 175.647 175.800 -0.045 0.000 0.855 473 F CA 0.427 58.392 58.000 -0.060 0.000 1.091 473 F CB -1.619 37.368 39.000 -0.021 0.000 1.177 473 F HN 0.188 nan 8.300 nan 0.000 0.542 474 L N 1.124 122.362 121.223 0.023 0.000 2.282 474 L HA 0.412 4.750 4.340 -0.003 0.000 0.288 474 L C 0.455 177.310 176.870 -0.025 0.000 1.033 474 L CA -1.127 53.699 54.840 -0.024 0.000 0.807 474 L CB 1.288 43.286 42.059 -0.101 0.000 1.209 474 L HN 0.046 nan 8.230 nan 0.000 0.423 475 L N 4.317 125.539 121.223 -0.000 0.000 2.514 475 L HA 0.032 4.370 4.340 -0.003 0.000 0.280 475 L C 0.601 177.479 176.870 0.013 0.000 1.223 475 L CA 0.585 55.446 54.840 0.034 0.000 0.864 475 L CB 0.268 42.377 42.059 0.084 0.000 1.118 475 L HN 0.545 nan 8.230 nan 0.000 0.494 476 R N 4.145 124.677 120.500 0.054 0.000 2.539 476 R HA 0.519 4.857 4.340 -0.003 0.000 0.275 476 R C -0.589 175.782 176.300 0.119 0.000 1.077 476 R CA -0.245 55.898 56.100 0.072 0.000 1.097 476 R CB 0.507 30.816 30.300 0.016 0.000 1.018 476 R HN 0.796 nan 8.270 nan 0.000 0.483 477 R N 1.640 122.248 120.500 0.179 0.000 2.629 477 R HA 0.471 4.809 4.340 -0.003 0.000 0.266 477 R C -1.375 175.061 176.300 0.227 0.000 1.051 477 R CA 0.124 56.331 56.100 0.180 0.000 0.895 477 R CB 2.008 32.362 30.300 0.091 0.000 1.246 477 R HN 0.915 nan 8.270 nan 0.000 0.459 478 G N 1.850 110.763 108.800 0.189 0.000 2.498 478 G HA2 -0.131 3.827 3.960 -0.003 0.000 0.651 478 G HA3 -0.131 3.827 3.960 -0.003 0.000 0.651 478 G C -1.368 173.585 174.900 0.088 0.000 1.284 478 G CA -0.897 44.253 45.100 0.083 0.000 0.950 478 G HN 0.467 nan 8.290 nan 0.000 0.511 479 E N -0.429 119.723 120.200 -0.079 0.000 2.383 479 E HA 0.524 4.872 4.350 -0.003 0.000 0.264 479 E C -0.961 175.464 176.600 -0.293 0.000 1.050 479 E CA 0.447 56.794 56.400 -0.087 0.000 0.896 479 E CB 1.084 30.724 29.700 -0.101 0.000 0.982 479 E HN 0.406 nan 8.360 nan 0.000 0.424 480 Y N -0.661 119.594 120.300 -0.076 0.000 2.479 480 Y HA 0.248 4.796 4.550 -0.003 0.000 0.338 480 Y C -0.459 175.374 175.900 -0.112 0.000 1.055 480 Y CA -0.824 57.211 58.100 -0.109 0.000 1.023 480 Y CB 1.964 40.322 38.460 -0.171 0.000 1.287 480 Y HN 0.094 nan 8.280 nan 0.000 0.447 481 V N 5.341 125.274 119.914 0.031 0.000 2.327 481 V HA 0.394 4.512 4.120 -0.003 0.000 0.272 481 V C -0.660 175.410 176.094 -0.041 0.000 1.019 481 V CA -0.657 61.623 62.300 -0.035 0.000 0.814 481 V CB 0.563 32.361 31.823 -0.042 0.000 1.040 481 V HN 0.539 nan 8.190 nan 0.000 0.440 482 L N 3.875 125.037 121.223 -0.101 0.000 2.325 482 L HA 0.599 4.937 4.340 -0.003 0.000 0.279 482 L C 0.154 176.883 176.870 -0.235 0.000 1.054 482 L CA -0.521 54.263 54.840 -0.095 0.000 0.804 482 L CB 1.002 42.996 42.059 -0.109 0.000 1.200 482 L HN 0.494 nan 8.230 nan 0.000 0.436 483 H N 3.997 122.942 119.070 -0.208 0.000 2.488 483 H HA 0.449 5.003 4.556 -0.003 0.000 0.322 483 H C -0.502 174.537 175.328 -0.481 0.000 1.078 483 H CA -0.393 55.473 56.048 -0.303 0.000 1.260 483 H CB 1.597 31.186 29.762 -0.289 0.000 1.425 483 H HN 0.474 nan 8.280 nan 0.000 0.471 484 M N 2.328 121.703 119.600 -0.375 0.000 2.359 484 M HA 0.193 4.671 4.480 -0.003 0.000 0.322 484 M C -0.491 175.554 176.300 -0.424 0.000 1.166 484 M CA -0.561 54.491 55.300 -0.413 0.000 1.067 484 M CB 1.429 33.875 32.600 -0.256 0.000 1.523 484 M HN 0.417 nan 8.290 nan 0.000 0.467 485 W N 0.723 121.850 121.300 -0.287 0.000 2.375 485 W HA 0.414 5.072 4.660 -0.004 0.000 0.336 485 W C 0.385 176.893 176.519 -0.020 0.000 1.160 485 W CA -0.353 56.832 57.345 -0.267 0.000 1.266 485 W CB 0.477 29.568 29.460 -0.615 0.000 1.195 485 W HN 0.538 nan 8.180 nan 0.000 0.599 486 Q N 0.865 120.870 119.800 0.342 0.000 2.171 486 Q HA 0.470 4.808 4.340 -0.003 0.000 0.217 486 Q C -0.849 175.262 176.000 0.184 0.000 0.995 486 Q CA -0.743 55.165 55.803 0.174 0.000 0.979 486 Q CB 0.995 29.820 28.738 0.145 0.000 1.152 486 Q HN 0.268 nan 8.270 nan 0.000 0.525 487 I N 1.995 122.589 120.570 0.040 0.000 2.418 487 I HA 0.172 4.340 4.170 -0.003 0.000 0.287 487 I C -0.407 175.739 176.117 0.049 0.000 1.008 487 I CA -0.409 60.936 61.300 0.076 0.000 1.104 487 I CB 1.345 39.353 38.000 0.013 0.000 1.264 487 I HN 0.570 nan 8.210 nan 0.000 0.438 488 S N 4.142 119.889 115.700 0.079 0.000 2.505 488 S HA 0.528 4.996 4.470 -0.003 0.000 0.276 488 S C 0.637 175.269 174.600 0.054 0.000 1.274 488 S CA -0.669 57.573 58.200 0.069 0.000 1.053 488 S CB 1.216 64.466 63.200 0.083 0.000 0.919 488 S HN 0.814 nan 8.310 nan 0.000 0.490 498 N N 0.599 119.385 118.700 0.144 0.000 2.647 498 N HA 0.542 5.280 4.740 -0.003 0.000 0.266 498 N C 0.072 175.616 175.510 0.057 0.000 1.373 498 N CA 0.224 53.313 53.050 0.066 0.000 0.807 498 N CB 1.700 40.204 38.487 0.027 0.000 1.513 498 N HN 0.239 nan 8.380 nan 0.000 0.505 499 A N 0.199 123.067 122.820 0.080 0.000 2.016 499 A HA -0.027 4.291 4.320 -0.003 0.000 0.217 499 A C 1.093 178.746 177.584 0.114 0.000 1.162 499 A CA 1.240 53.355 52.037 0.130 0.000 0.662 499 A CB -0.529 18.479 19.000 0.013 0.000 0.812 499 A HN 0.715 nan 8.150 nan 0.000 0.450 500 D N 0.278 120.669 120.400 -0.014 0.000 2.221 500 D HA -0.126 4.512 4.640 -0.003 0.000 0.204 500 D C 1.704 177.945 176.300 -0.097 0.000 0.982 500 D CA 1.144 55.021 54.000 -0.205 0.000 0.857 500 D CB -0.172 40.213 40.800 -0.691 0.000 0.934 500 D HN 0.485 nan 8.370 nan 0.000 0.475 501 K N -0.161 120.158 120.400 -0.136 0.000 2.283 501 K HA 0.045 4.363 4.320 -0.003 0.000 0.202 501 K C 1.734 178.315 176.600 -0.031 0.000 1.048 501 K CA 0.355 56.460 56.287 -0.303 0.000 0.948 501 K CB 0.120 32.349 32.500 -0.451 0.000 0.742 501 K HN 0.201 nan 8.250 nan 0.000 0.458 502 L N 0.694 121.947 121.223 0.050 0.000 2.591 502 L HA 0.004 4.342 4.340 -0.003 0.000 0.228 502 L C 1.145 178.062 176.870 0.078 0.000 1.133 502 L CA 0.028 54.912 54.840 0.073 0.000 0.880 502 L CB -0.063 42.059 42.059 0.106 0.000 1.033 502 L HN 0.051 nan 8.230 nan 0.000 0.450 503 T N -0.612 113.980 114.554 0.064 0.000 2.940 503 T HA -0.022 4.326 4.350 -0.003 0.000 0.309 503 T C 1.317 176.022 174.700 0.008 0.000 1.056 503 T CA 0.349 62.387 62.100 -0.104 0.000 1.137 503 T CB 0.955 69.612 68.868 -0.351 0.000 0.976 503 T HN 0.357 nan 8.240 nan 0.000 0.547 504 S N 3.104 118.777 115.700 -0.045 0.000 2.593 504 S HA 0.364 4.832 4.470 -0.003 0.000 0.217 504 S C 0.892 175.541 174.600 0.081 0.000 0.966 504 S CA -0.091 58.109 58.200 -0.001 0.000 0.914 504 S CB -0.038 63.098 63.200 -0.107 0.000 0.776 504 S HN 0.895 nan 8.310 nan 0.000 0.523 505 A N 2.166 125.040 122.820 0.090 0.000 2.351 505 A HA 0.581 4.899 4.320 -0.003 0.000 0.257 505 A C 0.681 178.442 177.584 0.294 0.000 1.087 505 A CA -0.060 52.077 52.037 0.166 0.000 0.798 505 A CB 0.176 19.250 19.000 0.124 0.000 1.033 505 A HN 0.604 nan 8.150 nan 0.000 0.488 506 T N -0.474 114.152 114.554 0.120 0.000 2.950 506 T HA 0.448 4.796 4.350 -0.003 0.000 0.288 506 T C -0.070 174.298 174.700 -0.554 0.000 1.035 506 T CA -0.957 61.033 62.100 -0.182 0.000 1.028 506 T CB 0.880 69.709 68.868 -0.066 0.000 1.109 506 T HN 0.531 nan 8.240 nan 0.000 0.514 507 N N 2.519 120.558 118.700 -1.102 0.000 2.431 507 N HA 0.206 4.944 4.740 -0.003 0.000 0.265 507 N C -1.228 173.984 175.510 -0.496 0.000 1.184 507 N CA -2.211 50.109 53.050 -1.217 0.000 0.943 507 N CB 0.918 38.712 38.487 -1.156 0.000 1.080 507 N HN 0.370 nan 8.380 nan 0.000 0.477 508 P HA -0.138 nan 4.420 nan 0.000 0.216 508 P C -0.001 177.183 177.300 -0.193 0.000 1.150 508 P CA 0.911 63.917 63.100 -0.157 0.000 0.837 508 P CB 0.081 31.767 31.700 -0.024 0.000 0.786 509 D N 0.989 121.283 120.400 -0.177 0.000 2.385 509 D HA -0.021 4.617 4.640 -0.003 0.000 0.260 509 D C 0.634 176.794 176.300 -0.234 0.000 1.326 509 D CA 0.225 54.136 54.000 -0.149 0.000 1.023 509 D CB -0.031 40.725 40.800 -0.074 0.000 1.083 509 D HN 0.060 nan 8.370 nan 0.000 0.517 510 K N 2.421 122.632 120.400 -0.315 0.000 2.437 510 K HA 0.020 4.338 4.320 -0.003 0.000 0.198 510 K C 1.175 177.659 176.600 -0.194 0.000 1.024 510 K CA 0.000 55.980 56.287 -0.512 0.000 1.148 510 K CB 0.722 32.835 32.500 -0.644 0.000 0.860 510 K HN 0.457 nan 8.250 nan 0.000 0.515 511 E N 0.510 120.647 120.200 -0.105 0.000 2.206 511 E HA 0.019 4.367 4.350 -0.003 0.000 0.195 511 E C 1.129 177.721 176.600 -0.013 0.000 0.935 511 E CA 0.334 56.708 56.400 -0.044 0.000 0.875 511 E CB 0.496 30.172 29.700 -0.039 0.000 0.841 511 E HN 0.223 nan 8.360 nan 0.000 0.477 512 N N 0.557 119.250 118.700 -0.011 0.000 2.368 512 N HA -0.017 4.721 4.740 -0.003 0.000 0.178 512 N C 0.702 176.225 175.510 0.022 0.000 1.076 512 N CA 0.405 53.463 53.050 0.012 0.000 0.889 512 N CB 0.564 39.065 38.487 0.022 0.000 1.040 512 N HN 0.030 nan 8.380 nan 0.000 0.463 513 S N 0.897 116.604 115.700 0.012 0.000 2.589 513 S HA 0.230 4.698 4.470 -0.003 0.000 0.265 513 S C 0.408 174.952 174.600 -0.093 0.000 1.342 513 S CA -0.578 57.615 58.200 -0.012 0.000 1.005 513 S CB 1.005 64.187 63.200 -0.030 0.000 0.909 513 S HN 0.147 nan 8.310 nan 0.000 0.555 514 M N 1.857 121.263 119.600 -0.323 0.000 2.241 514 M HA 0.489 4.967 4.480 -0.003 0.000 0.335 514 M C -0.167 175.868 176.300 -0.442 0.000 1.122 514 M CA 0.388 55.376 55.300 -0.521 0.000 1.164 514 M CB 1.250 33.081 32.600 -1.282 0.000 1.459 514 M HN 0.751 nan 8.290 nan 0.000 0.461 515 S N 3.860 119.317 115.700 -0.406 0.000 2.557 515 S HA 0.730 5.198 4.470 -0.003 0.000 0.291 515 S C -1.302 173.116 174.600 -0.304 0.000 1.116 515 S CA -0.835 57.075 58.200 -0.483 0.000 0.992 515 S CB 0.844 63.677 63.200 -0.612 0.000 1.028 515 S HN 0.727 nan 8.310 nan 0.000 0.484 516 I N 3.758 124.169 120.570 -0.266 0.000 2.460 516 I HA 0.631 4.799 4.170 -0.003 0.000 0.298 516 I C -0.685 175.351 176.117 -0.136 0.000 0.989 516 I CA 0.194 61.397 61.300 -0.162 0.000 1.173 516 I CB 2.031 39.949 38.000 -0.136 0.000 1.338 516 I HN 0.601 nan 8.210 nan 0.000 0.456 517 S N 7.726 123.374 115.700 -0.086 0.000 2.561 517 S HA 0.783 5.251 4.470 -0.003 0.000 0.303 517 S C -0.550 174.016 174.600 -0.057 0.000 1.110 517 S CA -0.569 57.592 58.200 -0.066 0.000 1.034 517 S CB 1.006 64.170 63.200 -0.059 0.000 1.010 517 S HN 0.582 nan 8.310 nan 0.000 0.482 518 I N -0.258 120.289 120.570 -0.039 0.000 3.279 518 I HA 0.855 5.023 4.170 -0.003 0.000 0.315 518 I C -1.964 174.136 176.117 -0.029 0.000 1.187 518 I CA -1.463 59.804 61.300 -0.056 0.000 0.953 518 I CB 1.887 39.863 38.000 -0.039 0.000 1.279 518 I HN 0.483 nan 8.210 nan 0.000 0.465 519 L N 3.020 124.192 121.223 -0.087 0.000 2.470 519 L HA 0.663 5.001 4.340 -0.003 0.000 0.268 519 L C -1.915 174.956 176.870 0.002 0.000 0.964 519 L CA -0.469 54.346 54.840 -0.041 0.000 0.839 519 L CB 1.746 43.729 42.059 -0.125 0.000 1.276 519 L HN 0.609 nan 8.230 nan 0.000 0.403 520 L N 4.484 125.781 121.223 0.124 0.000 2.322 520 L HA 0.758 5.096 4.340 -0.003 0.000 0.279 520 L C -0.674 176.298 176.870 0.170 0.000 1.036 520 L CA 0.021 54.946 54.840 0.140 0.000 0.807 520 L CB 1.467 43.620 42.059 0.155 0.000 1.226 520 L HN 0.673 nan 8.230 nan 0.000 0.433 521 D N 2.268 122.772 120.400 0.174 0.000 2.484 521 D HA 0.288 4.926 4.640 -0.003 0.000 0.206 521 D C -1.493 174.840 176.300 0.055 0.000 1.322 521 D CA -0.347 53.735 54.000 0.137 0.000 0.913 521 D CB 0.880 41.791 40.800 0.186 0.000 1.559 521 D HN 0.511 nan 8.370 nan 0.000 0.565 526 P HA 0.352 nan 4.420 nan 0.000 0.288 526 P C -0.659 176.731 177.300 0.149 0.000 1.333 526 P CA 0.268 63.456 63.100 0.148 0.000 0.806 526 P CB 1.975 33.739 31.700 0.106 0.000 2.004 527 I N -2.219 118.428 120.570 0.128 0.000 5.730 527 I HA -0.044 4.124 4.170 -0.003 0.000 0.126 527 I C -0.371 175.802 176.117 0.094 0.000 1.816 527 I CA -0.207 61.184 61.300 0.153 0.000 2.037 527 I CB -1.905 36.270 38.000 0.292 0.000 3.383 527 I HN 0.378 nan 8.210 nan 0.000 0.169 545 A N 1.385 124.190 122.820 -0.026 0.000 2.435 545 A HA -0.113 4.205 4.320 -0.003 0.000 0.686 545 A C -0.906 176.689 177.584 0.019 0.000 0.138 545 A CA 0.981 53.018 52.037 0.000 0.000 0.025 545 A CB -0.551 18.451 19.000 0.004 0.000 3.974 545 A HN 0.621 nan 8.150 nan 0.000 0.548 546 E N 1.949 122.163 120.200 0.024 0.000 2.212 546 E HA 0.742 5.090 4.350 -0.003 0.000 0.268 546 E C 0.494 177.104 176.600 0.017 0.000 0.902 546 E CA -0.684 55.727 56.400 0.017 0.000 0.779 546 E CB 0.993 30.693 29.700 0.001 0.000 1.172 546 E HN 0.649 nan 8.360 nan 0.000 0.409 547 M N 4.273 123.853 119.600 -0.033 0.000 2.250 547 M HA 0.202 4.680 4.480 -0.003 0.000 0.325 547 M C -1.672 174.587 176.300 -0.067 0.000 1.084 547 M CA -1.314 53.924 55.300 -0.103 0.000 1.161 547 M CB -0.047 32.346 32.600 -0.346 0.000 1.481 547 M HN 0.411 nan 8.290 nan 0.000 0.449 548 P HA 0.043 nan 4.420 nan 0.000 0.272 548 P C -0.171 177.095 177.300 -0.056 0.000 1.230 548 P CA -0.176 62.907 63.100 -0.029 0.000 0.788 548 P CB 0.377 32.076 31.700 -0.001 0.000 0.949 549 N N 0.334 119.012 118.700 -0.035 0.000 2.443 549 N HA -0.156 4.582 4.740 -0.003 0.000 0.184 549 N C 1.265 176.750 175.510 -0.042 0.000 1.037 549 N CA 1.290 54.318 53.050 -0.037 0.000 0.896 549 N CB -0.025 38.449 38.487 -0.021 0.000 0.959 549 N HN 0.317 nan 8.380 nan 0.000 0.442 550 Q N -0.967 118.808 119.800 -0.040 0.000 2.353 550 Q HA 0.332 4.670 4.340 -0.003 0.000 0.240 550 Q C 1.855 177.828 176.000 -0.045 0.000 0.868 550 Q CA 0.059 55.842 55.803 -0.034 0.000 0.944 550 Q CB 0.387 29.115 28.738 -0.016 0.000 1.104 550 Q HN 0.272 nan 8.270 nan 0.000 0.531 551 L N -0.003 121.181 121.223 -0.065 0.000 2.095 551 L HA -0.043 4.295 4.340 -0.003 0.000 0.204 551 L C 2.372 179.147 176.870 -0.159 0.000 1.080 551 L CA 1.127 55.915 54.840 -0.087 0.000 0.759 551 L CB -0.303 41.702 42.059 -0.090 0.000 0.914 551 L HN 0.186 nan 8.230 nan 0.000 0.439 552 R N 1.085 121.459 120.500 -0.210 0.000 2.133 552 R HA -0.272 4.066 4.340 -0.003 0.000 0.245 552 R C 2.166 178.393 176.300 -0.123 0.000 1.137 552 R CA 2.180 58.163 56.100 -0.196 0.000 0.947 552 R CB -0.203 30.008 30.300 -0.149 0.000 0.865 552 R HN 0.257 nan 8.270 nan 0.000 0.437 553 K N 0.046 120.397 120.400 -0.082 0.000 2.057 553 K HA -0.215 4.103 4.320 -0.003 0.000 0.206 553 K C 2.333 178.904 176.600 -0.048 0.000 1.050 553 K CA 1.737 57.992 56.287 -0.053 0.000 0.935 553 K CB -0.209 32.270 32.500 -0.034 0.000 0.715 553 K HN 0.396 nan 8.250 nan 0.000 0.439 554 Q N 1.030 120.802 119.800 -0.046 0.000 2.152 554 Q HA -0.216 4.122 4.340 -0.003 0.000 0.206 554 Q C 2.120 178.100 176.000 -0.035 0.000 0.985 554 Q CA 1.357 57.143 55.803 -0.028 0.000 0.863 554 Q CB -0.030 28.701 28.738 -0.012 0.000 0.904 554 Q HN 0.217 nan 8.270 nan 0.000 0.422 555 L N 0.756 121.938 121.223 -0.068 0.000 2.023 555 L HA -0.113 4.225 4.340 -0.003 0.000 0.205 555 L C 1.945 178.759 176.870 -0.093 0.000 1.073 555 L CA 1.873 56.665 54.840 -0.080 0.000 0.745 555 L CB -0.333 41.640 42.059 -0.143 0.000 0.900 555 L HN 0.204 nan 8.230 nan 0.000 0.435 556 E N -0.328 119.805 120.200 -0.111 0.000 2.130 556 E HA -0.278 4.070 4.350 -0.003 0.000 0.196 556 E C 2.133 178.704 176.600 -0.047 0.000 0.998 556 E CA 1.117 57.459 56.400 -0.097 0.000 0.806 556 E CB -0.342 29.320 29.700 -0.064 0.000 0.738 556 E HN 0.660 nan 8.360 nan 0.000 0.459 557 A N 1.484 124.284 122.820 -0.034 0.000 1.859 557 A HA -0.238 4.080 4.320 -0.003 0.000 0.217 557 A C 2.212 179.790 177.584 -0.010 0.000 1.198 557 A CA 1.534 53.561 52.037 -0.016 0.000 0.629 557 A CB -0.796 18.197 19.000 -0.012 0.000 0.830 557 A HN 0.164 nan 8.150 nan 0.000 0.446 558 I N -0.360 120.203 120.570 -0.012 0.000 2.151 558 I HA -0.296 3.872 4.170 -0.003 0.000 0.243 558 I C 2.263 178.383 176.117 0.005 0.000 1.080 558 I CA 1.662 62.963 61.300 0.001 0.000 1.339 558 I CB -0.358 37.645 38.000 0.004 0.000 1.039 558 I HN 0.318 nan 8.210 nan 0.000 0.409 559 I N 0.681 121.243 120.570 -0.013 0.000 2.614 559 I HA -0.174 3.994 4.170 -0.003 0.000 0.258 559 I C 1.792 177.923 176.117 0.024 0.000 1.189 559 I CA 0.615 61.917 61.300 0.003 0.000 1.462 559 I CB -0.291 37.685 38.000 -0.041 0.000 1.092 559 I HN 0.148 nan 8.210 nan 0.000 0.442 560 A N 1.211 124.039 122.820 0.012 0.000 3.105 560 A HA 0.306 4.624 4.320 -0.003 0.000 0.272 560 A C 0.453 178.046 177.584 0.015 0.000 1.466 560 A CA 0.001 52.048 52.037 0.017 0.000 1.101 560 A CB -0.989 18.016 19.000 0.010 0.000 1.065 560 A HN 0.364 nan 8.150 nan 0.000 0.643 561 T N -1.873 112.695 114.554 0.023 0.000 2.916 561 T HA 0.471 4.819 4.350 -0.003 0.000 0.305 561 T C -0.575 174.142 174.700 0.029 0.000 1.119 561 T CA -0.736 61.376 62.100 0.020 0.000 1.008 561 T CB 1.465 70.345 68.868 0.020 0.000 1.129 561 T HN 0.418 nan 8.240 nan 0.000 0.480 562 D N 1.507 121.920 120.400 0.022 0.000 2.364 562 D HA 0.049 4.687 4.640 -0.003 0.000 0.236 562 D C -1.749 174.577 176.300 0.044 0.000 1.221 562 D CA -1.092 52.924 54.000 0.026 0.000 0.891 562 D CB 0.328 41.137 40.800 0.015 0.000 1.190 562 D HN 0.235 nan 8.370 nan 0.000 0.449 563 P HA -0.013 nan 4.420 nan 0.000 0.231 563 P C 1.038 178.376 177.300 0.064 0.000 1.158 563 P CA 0.792 63.935 63.100 0.071 0.000 0.763 563 P CB 0.122 31.867 31.700 0.075 0.000 0.805 564 L N -2.054 119.198 121.223 0.049 0.000 2.347 564 L HA 0.149 4.487 4.340 -0.003 0.000 0.196 564 L C 0.942 177.832 176.870 0.033 0.000 1.072 564 L CA -0.152 54.712 54.840 0.040 0.000 0.817 564 L CB -0.958 41.126 42.059 0.041 0.000 1.029 564 L HN -0.152 nan 8.230 nan 0.000 0.478 565 N N 3.157 121.875 118.700 0.030 0.000 2.182 565 N HA -0.060 4.678 4.740 -0.003 0.000 0.283 565 N C -2.196 173.330 175.510 0.028 0.000 1.380 565 N CA -0.445 52.620 53.050 0.024 0.000 0.874 565 N CB 0.007 38.507 38.487 0.021 0.000 1.190 565 N HN 0.070 nan 8.380 nan 0.000 0.494 566 P HA 0.129 nan 4.420 nan 0.000 0.277 566 P C -0.483 176.831 177.300 0.023 0.000 1.240 566 P CA -0.287 62.826 63.100 0.022 0.000 0.798 566 P CB 0.858 32.568 31.700 0.017 0.000 0.979 567 L N 1.936 123.174 121.223 0.025 0.000 2.276 567 L HA 0.274 4.612 4.340 -0.003 0.000 0.286 567 L C 1.466 178.346 176.870 0.017 0.000 1.061 567 L CA -0.499 54.356 54.840 0.025 0.000 0.807 567 L CB 1.012 43.090 42.059 0.032 0.000 1.177 567 L HN 0.482 nan 8.230 nan 0.000 0.429 568 T N -0.197 114.367 114.554 0.017 0.000 2.868 568 T HA 0.314 4.662 4.350 -0.003 0.000 0.292 568 T C 1.288 175.994 174.700 0.010 0.000 1.028 568 T CA -0.113 61.994 62.100 0.012 0.000 1.059 568 T CB 1.657 70.532 68.868 0.012 0.000 0.991 568 T HN 0.640 nan 8.240 nan 0.000 0.531 569 A N 0.633 123.455 122.820 0.003 0.000 1.986 569 A HA -0.122 4.196 4.320 -0.003 0.000 0.220 569 A C 2.328 179.916 177.584 0.007 0.000 1.171 569 A CA 1.655 53.691 52.037 -0.003 0.000 0.640 569 A CB -0.969 18.025 19.000 -0.011 0.000 0.811 569 A HN 0.963 nan 8.150 nan 0.000 0.451 570 E N 0.116 120.323 120.200 0.013 0.000 2.072 570 E HA -0.189 4.159 4.350 -0.003 0.000 0.191 570 E C 1.329 177.952 176.600 0.038 0.000 0.985 570 E CA 1.348 57.761 56.400 0.022 0.000 0.801 570 E CB -0.222 29.490 29.700 0.020 0.000 0.750 570 E HN 0.589 nan 8.360 nan 0.000 0.452 571 D N 0.735 121.156 120.400 0.034 0.000 2.088 571 D HA -0.161 4.477 4.640 -0.003 0.000 0.191 571 D C 1.949 178.281 176.300 0.054 0.000 0.992 571 D CA 1.101 55.126 54.000 0.043 0.000 0.831 571 D CB -0.220 40.600 40.800 0.033 0.000 0.973 571 D HN 0.149 nan 8.370 nan 0.000 0.447 572 K N 0.576 120.999 120.400 0.039 0.000 2.113 572 K HA -0.162 4.156 4.320 -0.003 0.000 0.208 572 K C 2.098 178.738 176.600 0.067 0.000 1.047 572 K CA 1.034 57.344 56.287 0.038 0.000 0.928 572 K CB -0.107 32.394 32.500 0.002 0.000 0.716 572 K HN 0.270 nan 8.250 nan 0.000 0.446 573 E N 0.541 120.777 120.200 0.059 0.000 2.208 573 E HA -0.097 4.251 4.350 -0.003 0.000 0.193 573 E C 1.944 178.627 176.600 0.138 0.000 0.988 573 E CA 0.281 56.734 56.400 0.088 0.000 0.828 573 E CB 0.125 29.845 29.700 0.034 0.000 0.763 573 E HN 0.146 nan 8.360 nan 0.000 0.478 574 L N 0.513 121.818 121.223 0.137 0.000 2.027 574 L HA -0.143 4.195 4.340 -0.003 0.000 0.206 574 L C 2.074 179.097 176.870 0.254 0.000 1.074 574 L CA 1.218 56.189 54.840 0.217 0.000 0.745 574 L CB -0.413 41.754 42.059 0.181 0.000 0.898 574 L HN 0.237 nan 8.230 nan 0.000 0.433 575 L N -1.131 120.190 121.223 0.163 0.000 2.127 575 L HA -0.272 4.066 4.340 -0.003 0.000 0.211 575 L C 2.202 179.137 176.870 0.107 0.000 1.089 575 L CA 1.659 56.566 54.840 0.111 0.000 0.757 575 L CB -1.034 41.061 42.059 0.060 0.000 0.899 575 L HN 0.473 nan 8.230 nan 0.000 0.434 576 W N -0.768 120.495 121.300 -0.062 0.000 2.539 576 W HA -0.139 4.519 4.660 -0.004 0.000 0.299 576 W C 2.583 179.030 176.519 -0.120 0.000 1.165 576 W CA 1.025 58.296 57.345 -0.123 0.000 1.400 576 W CB -0.457 28.930 29.460 -0.121 0.000 1.123 576 W HN 0.281 nan 8.180 nan 0.000 0.533 577 H N -0.473 118.446 119.070 -0.251 0.000 2.426 577 H HA -0.197 4.357 4.556 -0.003 0.000 0.298 577 H C 0.209 175.104 175.328 -0.722 0.000 1.107 577 H CA 1.556 57.266 56.048 -0.565 0.000 1.298 577 H CB -0.485 28.892 29.762 -0.640 0.000 1.377 577 H HN 0.028 nan 8.280 nan 0.000 0.519 578 F N 0.277 120.117 119.950 -0.184 0.000 2.942 578 F HA 0.259 4.784 4.527 -0.003 0.000 0.324 578 F C 1.464 177.110 175.800 -0.256 0.000 1.265 578 F CA -0.549 57.332 58.000 -0.198 0.000 1.255 578 F CB 0.344 39.286 39.000 -0.096 0.000 1.048 578 F HN -0.131 nan 8.300 nan 0.000 0.512 579 R N -0.475 119.802 120.500 -0.372 0.000 2.140 579 R HA -0.238 4.100 4.340 -0.003 0.000 0.250 579 R C 1.149 177.147 176.300 -0.503 0.000 1.150 579 R CA 2.175 57.921 56.100 -0.590 0.000 0.966 579 R CB -0.471 29.173 30.300 -1.093 0.000 0.869 579 R HN 0.440 nan 8.270 nan 0.000 0.445 580 Y N -0.987 119.223 120.300 -0.150 0.000 2.365 580 Y HA -0.039 4.509 4.550 -0.003 0.000 0.293 580 Y C 2.323 178.218 175.900 -0.008 0.000 1.119 580 Y CA 0.784 58.835 58.100 -0.082 0.000 1.203 580 Y CB 0.026 38.436 38.460 -0.083 0.000 1.026 580 Y HN 0.005 nan 8.280 nan 0.000 0.549 581 E N 0.277 120.569 120.200 0.153 0.000 2.107 581 E HA -0.119 4.229 4.350 -0.003 0.000 0.191 581 E C 2.094 178.764 176.600 0.117 0.000 0.982 581 E CA 1.490 57.964 56.400 0.123 0.000 0.809 581 E CB -0.205 29.530 29.700 0.057 0.000 0.756 581 E HN 0.203 nan 8.360 nan 0.000 0.459 582 S N 0.076 115.786 115.700 0.016 0.000 2.419 582 S HA -0.120 4.348 4.470 -0.003 0.000 0.233 582 S C 1.607 176.226 174.600 0.030 0.000 1.016 582 S CA 0.766 58.943 58.200 -0.038 0.000 0.974 582 S CB -0.196 62.925 63.200 -0.132 0.000 0.786 582 S HN 0.216 nan 8.310 nan 0.000 0.492 583 L N 1.534 122.758 121.223 0.002 0.000 2.341 583 L HA 0.161 4.499 4.340 -0.003 0.000 0.214 583 L C 1.702 178.757 176.870 0.308 0.000 1.115 583 L CA 1.327 56.184 54.840 0.027 0.000 0.820 583 L CB -0.313 41.712 42.059 -0.057 0.000 0.944 583 L HN 0.079 nan 8.230 nan 0.000 0.452 584 K N -1.070 119.496 120.400 0.276 0.000 2.442 584 K HA -0.013 4.304 4.320 -0.003 0.000 0.198 584 K C -0.169 176.488 176.600 0.095 0.000 1.042 584 K CA 0.509 56.911 56.287 0.192 0.000 0.958 584 K CB -0.166 32.402 32.500 0.114 0.000 0.766 584 K HN 0.440 nan 8.250 nan 0.000 0.474 585 H N 0.062 119.260 119.070 0.214 0.000 2.638 585 H HA 0.112 4.665 4.556 -0.003 0.000 0.317 585 H C -2.115 173.426 175.328 0.354 0.000 1.006 585 H CA -2.120 54.048 56.048 0.199 0.000 1.222 585 H CB 1.846 31.689 29.762 0.135 0.000 1.419 585 H HN -0.125 nan 8.280 nan 0.000 0.489 586 P HA -0.143 nan 4.420 nan 0.000 0.216 586 P C 1.322 178.812 177.300 0.318 0.000 1.150 586 P CA 1.222 64.425 63.100 0.172 0.000 0.837 586 P CB 0.387 32.040 31.700 -0.079 0.000 0.786 587 K N -0.664 119.885 120.400 0.248 0.000 2.442 587 K HA 0.049 4.367 4.320 -0.003 0.000 0.198 587 K C 1.862 178.614 176.600 0.254 0.000 1.042 587 K CA 1.007 57.421 56.287 0.211 0.000 0.958 587 K CB -0.360 32.219 32.500 0.132 0.000 0.766 587 K HN 0.091 nan 8.250 nan 0.000 0.474 588 A N 0.384 123.398 122.820 0.324 0.000 2.067 588 A HA -0.097 4.221 4.320 -0.003 0.000 0.217 588 A C 1.488 179.217 177.584 0.242 0.000 1.156 588 A CA 0.658 52.828 52.037 0.221 0.000 0.683 588 A CB -0.370 18.706 19.000 0.127 0.000 0.808 588 A HN 0.161 nan 8.150 nan 0.000 0.455 589 Y N 0.450 120.835 120.300 0.142 0.000 2.053 589 Y HA -0.152 4.396 4.550 -0.003 0.000 0.277 589 Y C -0.080 175.974 175.900 0.257 0.000 1.159 589 Y CA 2.154 60.348 58.100 0.157 0.000 1.125 589 Y CB -1.933 36.670 38.460 0.239 0.000 0.969 589 Y HN 0.248 nan 8.280 nan 0.000 0.492 590 P HA -0.244 nan 4.420 nan 0.000 0.216 590 P C 1.400 178.967 177.300 0.446 0.000 1.167 590 P CA 2.536 65.840 63.100 0.340 0.000 0.914 590 P CB -0.068 31.782 31.700 0.250 0.000 0.793 591 K N -1.176 119.384 120.400 0.267 0.000 2.097 591 K HA -0.124 4.194 4.320 -0.003 0.000 0.206 591 K C 2.056 178.740 176.600 0.140 0.000 1.049 591 K CA 1.066 57.467 56.287 0.190 0.000 0.933 591 K CB -1.033 31.536 32.500 0.115 0.000 0.717 591 K HN 0.135 nan 8.250 nan 0.000 0.442 592 L N 0.330 121.574 121.223 0.034 0.000 2.056 592 L HA -0.057 4.281 4.340 -0.003 0.000 0.207 592 L C 1.790 178.569 176.870 -0.150 0.000 1.078 592 L CA 1.597 56.334 54.840 -0.172 0.000 0.749 592 L CB -0.394 41.361 42.059 -0.506 0.000 0.901 592 L HN -0.014 nan 8.230 nan 0.000 0.433 593 F N -0.965 119.130 119.950 0.242 0.000 2.710 593 F HA 0.055 4.580 4.527 -0.003 0.000 0.298 593 F C 2.273 178.366 175.800 0.488 0.000 1.137 593 F CA 0.612 58.848 58.000 0.394 0.000 1.444 593 F CB -0.386 38.927 39.000 0.522 0.000 1.111 593 F HN 0.013 nan 8.300 nan 0.000 0.580 594 S N -0.879 115.121 115.700 0.499 0.000 2.453 594 S HA -0.103 4.365 4.470 -0.003 0.000 0.231 594 S C 1.548 176.233 174.600 0.142 0.000 1.005 594 S CA 0.890 59.234 58.200 0.240 0.000 0.949 594 S CB -0.280 62.996 63.200 0.127 0.000 0.774 594 S HN 0.186 nan 8.310 nan 0.000 0.510 595 S N 1.610 117.364 115.700 0.090 0.000 2.768 595 S HA 0.270 4.738 4.470 -0.003 0.000 0.246 595 S C -0.022 174.445 174.600 -0.223 0.000 1.006 595 S CA -0.244 57.940 58.200 -0.026 0.000 1.075 595 S CB -0.147 63.071 63.200 0.028 0.000 0.786 595 S HN 0.139 nan 8.310 nan 0.000 0.468 596 V N 1.863 121.602 119.914 -0.292 0.000 2.495 596 V HA 0.309 4.427 4.120 -0.003 0.000 0.298 596 V C -0.085 175.572 176.094 -0.728 0.000 1.031 596 V CA -1.012 60.810 62.300 -0.798 0.000 0.871 596 V CB 1.806 32.915 31.823 -1.190 0.000 0.988 596 V HN 0.237 nan 8.190 nan 0.000 0.432 597 K N 4.051 124.006 120.400 -0.743 0.000 2.273 597 K HA 0.209 4.527 4.320 -0.003 0.000 0.287 597 K C -0.454 175.856 176.600 -0.484 0.000 1.089 597 K CA 0.051 56.067 56.287 -0.452 0.000 0.909 597 K CB 0.606 32.875 32.500 -0.384 0.000 1.123 597 K HN 0.700 nan 8.250 nan 0.000 0.473 598 W N 1.307 122.439 121.300 -0.280 0.000 3.330 598 W HA 0.175 4.833 4.660 -0.003 0.000 0.348 598 W C 1.316 177.649 176.519 -0.310 0.000 1.205 598 W CA -0.674 56.459 57.345 -0.353 0.000 1.841 598 W CB 0.615 29.693 29.460 -0.637 0.000 1.084 598 W HN 0.695 nan 8.180 nan 0.000 0.665 599 G N 0.362 109.123 108.800 -0.065 0.000 3.448 599 G HA2 0.159 4.117 3.960 -0.003 0.000 0.261 599 G HA3 0.159 4.117 3.960 -0.003 0.000 0.261 599 G C 0.102 174.954 174.900 -0.080 0.000 1.173 599 G CA -0.120 44.939 45.100 -0.069 0.000 0.835 599 G HN 0.144 nan 8.290 nan 0.000 0.534 600 Q N -0.275 119.459 119.800 -0.111 0.000 2.294 600 Q HA 0.203 4.541 4.340 -0.003 0.000 0.264 600 Q C 0.603 176.538 176.000 -0.108 0.000 0.992 600 Q CA -0.467 55.271 55.803 -0.109 0.000 0.747 600 Q CB 2.137 30.788 28.738 -0.144 0.000 1.262 600 Q HN 0.270 nan 8.270 nan 0.000 0.452 601 Q N 2.234 121.992 119.800 -0.070 0.000 2.077 601 Q HA -0.290 4.048 4.340 -0.003 0.000 0.206 601 Q C 1.564 177.514 176.000 -0.084 0.000 0.989 601 Q CA 2.339 58.102 55.803 -0.067 0.000 0.853 601 Q CB 0.245 28.964 28.738 -0.032 0.000 0.907 601 Q HN 0.727 nan 8.270 nan 0.000 0.418 602 E N -0.401 119.761 120.200 -0.063 0.000 2.110 602 E HA -0.184 4.164 4.350 -0.003 0.000 0.193 602 E C 1.864 178.440 176.600 -0.040 0.000 0.988 602 E CA 1.268 57.645 56.400 -0.039 0.000 0.804 602 E CB -0.091 29.599 29.700 -0.018 0.000 0.745 602 E HN 0.526 nan 8.360 nan 0.000 0.458 603 I N -0.015 120.499 120.570 -0.095 0.000 2.480 603 I HA -0.182 3.986 4.170 -0.003 0.000 0.251 603 I C 2.150 178.149 176.117 -0.197 0.000 1.124 603 I CA 0.240 61.467 61.300 -0.121 0.000 1.444 603 I CB 0.194 37.996 38.000 -0.330 0.000 1.098 603 I HN 0.043 nan 8.210 nan 0.000 0.428 604 V N 1.171 120.918 119.914 -0.279 0.000 2.392 604 V HA -0.328 3.790 4.120 -0.003 0.000 0.249 604 V C 2.693 178.601 176.094 -0.310 0.000 1.059 604 V CA 2.006 64.114 62.300 -0.321 0.000 1.051 604 V CB -1.090 30.593 31.823 -0.233 0.000 0.658 604 V HN 0.500 nan 8.190 nan 0.000 0.455 605 A N -0.248 122.444 122.820 -0.215 0.000 1.933 605 A HA -0.219 4.099 4.320 -0.003 0.000 0.218 605 A C 2.302 179.890 177.584 0.007 0.000 1.175 605 A CA 1.830 53.779 52.037 -0.148 0.000 0.628 605 A CB -0.385 18.572 19.000 -0.072 0.000 0.814 605 A HN 0.557 nan 8.150 nan 0.000 0.444 606 K N -0.831 119.609 120.400 0.068 0.000 2.155 606 K HA -0.060 4.258 4.320 -0.003 0.000 0.203 606 K C 1.986 178.690 176.600 0.173 0.000 1.052 606 K CA 1.484 57.852 56.287 0.135 0.000 0.948 606 K CB -0.340 32.276 32.500 0.194 0.000 0.728 606 K HN 0.465 nan 8.250 nan 0.000 0.448 607 T N 0.792 115.482 114.554 0.227 0.000 2.720 607 T HA -0.161 4.187 4.350 -0.003 0.000 0.268 607 T C 1.694 176.652 174.700 0.430 0.000 1.037 607 T CA 1.309 63.595 62.100 0.310 0.000 1.144 607 T CB -0.364 68.655 68.868 0.252 0.000 0.864 607 T HN 0.312 nan 8.240 nan 0.000 0.444 608 Y N 1.430 121.811 120.300 0.136 0.000 2.200 608 Y HA -0.136 4.412 4.550 -0.003 0.000 0.290 608 Y C 3.011 178.974 175.900 0.105 0.000 1.137 608 Y CA 0.438 58.615 58.100 0.128 0.000 1.163 608 Y CB -0.196 38.337 38.460 0.123 0.000 0.988 608 Y HN 0.257 nan 8.280 nan 0.000 0.518 609 Q N 0.225 120.186 119.800 0.269 0.000 2.096 609 Q HA -0.242 4.096 4.340 -0.003 0.000 0.204 609 Q C 2.342 178.438 176.000 0.160 0.000 0.982 609 Q CA 1.475 57.386 55.803 0.180 0.000 0.850 609 Q CB -0.234 28.593 28.738 0.149 0.000 0.901 609 Q HN 0.528 nan 8.270 nan 0.000 0.422 610 L N 0.560 121.859 121.223 0.127 0.000 2.017 610 L HA -0.212 4.126 4.340 -0.003 0.000 0.208 610 L C 2.234 179.166 176.870 0.102 0.000 1.073 610 L CA 1.288 56.150 54.840 0.037 0.000 0.745 610 L CB -0.313 41.677 42.059 -0.116 0.000 0.894 610 L HN 0.352 nan 8.230 nan 0.000 0.432 611 L N -0.687 120.627 121.223 0.152 0.000 2.127 611 L HA -0.223 4.115 4.340 -0.003 0.000 0.211 611 L C 2.792 179.718 176.870 0.093 0.000 1.089 611 L CA 0.950 55.858 54.840 0.113 0.000 0.757 611 L CB -0.838 41.239 42.059 0.030 0.000 0.899 611 L HN 0.319 nan 8.230 nan 0.000 0.434 612 A N 1.408 124.291 122.820 0.106 0.000 1.848 612 A HA -0.222 4.096 4.320 -0.003 0.000 0.217 612 A C 1.526 179.176 177.584 0.110 0.000 1.220 612 A CA 1.588 53.684 52.037 0.099 0.000 0.645 612 A CB -0.760 18.306 19.000 0.109 0.000 0.842 612 A HN 0.545 nan 8.150 nan 0.000 0.451 613 R N 0.102 120.678 120.500 0.127 0.000 3.206 613 R HA 0.235 4.573 4.340 -0.003 0.000 0.209 613 R C 0.259 176.654 176.300 0.158 0.000 1.632 613 R CA 0.165 56.344 56.100 0.132 0.000 1.234 613 R CB -0.282 30.102 30.300 0.139 0.000 1.270 613 R HN 0.487 nan 8.270 nan 0.000 0.665 614 R N 1.502 122.099 120.500 0.162 0.000 2.507 614 R HA 0.034 4.372 4.340 -0.003 0.000 0.298 614 R C 0.578 177.014 176.300 0.227 0.000 0.999 614 R CA -0.069 56.164 56.100 0.223 0.000 1.082 614 R CB 0.263 30.689 30.300 0.211 0.000 1.246 614 R HN 0.615 nan 8.270 nan 0.000 0.553 615 E N -0.193 120.104 120.200 0.163 0.000 2.108 615 E HA -0.290 4.058 4.350 -0.003 0.000 0.203 615 E C 1.682 178.359 176.600 0.127 0.000 1.022 615 E CA 1.949 58.423 56.400 0.123 0.000 0.823 615 E CB -0.016 29.738 29.700 0.090 0.000 0.744 615 E HN 0.142 nan 8.360 nan 0.000 0.456 616 V N 0.832 120.843 119.914 0.162 0.000 2.453 616 V HA -0.166 3.952 4.120 -0.003 0.000 0.247 616 V C 1.728 177.900 176.094 0.131 0.000 1.048 616 V CA 1.425 63.806 62.300 0.134 0.000 1.049 616 V CB -0.325 31.593 31.823 0.159 0.000 0.672 616 V HN 0.533 nan 8.190 nan 0.000 0.457 617 W N 0.788 122.098 121.300 0.016 0.000 2.379 617 W HA -0.154 4.504 4.660 -0.004 0.000 0.307 617 W C 1.970 178.438 176.519 -0.085 0.000 1.200 617 W CA 1.772 59.047 57.345 -0.117 0.000 1.297 617 W CB -0.472 28.910 29.460 -0.130 0.000 1.140 617 W HN 0.355 nan 8.180 nan 0.000 0.507 618 D N 0.484 120.955 120.400 0.119 0.000 2.182 618 D HA -0.232 4.406 4.640 -0.003 0.000 0.201 618 D C 2.023 178.261 176.300 -0.104 0.000 0.986 618 D CA 1.723 55.729 54.000 0.011 0.000 0.847 618 D CB -0.521 40.346 40.800 0.112 0.000 0.942 618 D HN 0.388 nan 8.370 nan 0.000 0.467 619 Q N 0.366 120.116 119.800 -0.082 0.000 2.245 619 Q HA -0.003 4.335 4.340 -0.003 0.000 0.201 619 Q C 0.762 176.671 176.000 -0.152 0.000 0.955 619 Q CA 0.151 55.900 55.803 -0.089 0.000 0.870 619 Q CB 0.256 28.965 28.738 -0.047 0.000 0.945 619 Q HN 0.190 nan 8.270 nan 0.000 0.461 620 S N -0.001 115.554 115.700 -0.240 0.000 2.584 620 S HA 0.431 4.899 4.470 -0.003 0.000 0.270 620 S C 0.248 174.680 174.600 -0.280 0.000 1.346 620 S CA -0.545 57.493 58.200 -0.270 0.000 1.018 620 S CB 1.079 64.061 63.200 -0.362 0.000 0.899 620 S HN 0.258 nan 8.310 nan 0.000 0.542 621 A N 1.481 124.171 122.820 -0.217 0.000 2.406 621 A HA 0.455 4.773 4.320 -0.003 0.000 0.243 621 A C 0.090 177.529 177.584 -0.241 0.000 1.082 621 A CA -0.617 51.308 52.037 -0.186 0.000 0.786 621 A CB -0.186 18.734 19.000 -0.132 0.000 1.029 621 A HN 1.046 nan 8.150 nan 0.000 0.495 622 L N 1.416 122.522 121.223 -0.196 0.000 2.360 622 L HA 0.260 4.598 4.340 -0.003 0.000 0.276 622 L C -0.198 176.568 176.870 -0.172 0.000 1.121 622 L CA 0.323 55.037 54.840 -0.209 0.000 0.845 622 L CB 0.472 42.444 42.059 -0.144 0.000 1.143 622 L HN 0.657 nan 8.230 nan 0.000 0.452 623 D N 4.211 124.492 120.400 -0.198 0.000 2.460 623 D HA 0.121 4.759 4.640 -0.003 0.000 0.232 623 D C 0.875 177.094 176.300 -0.136 0.000 1.079 623 D CA -0.308 53.610 54.000 -0.137 0.000 0.864 623 D CB 1.571 42.295 40.800 -0.126 0.000 1.048 623 D HN 0.461 nan 8.370 nan 0.000 0.523 624 V N 3.915 123.739 119.914 -0.151 0.000 2.490 624 V HA -0.132 3.986 4.120 -0.003 0.000 0.250 624 V C 2.484 178.464 176.094 -0.189 0.000 1.061 624 V CA 2.031 64.181 62.300 -0.250 0.000 1.064 624 V CB -0.508 31.023 31.823 -0.486 0.000 0.670 624 V HN 0.685 nan 8.190 nan 0.000 0.461 625 G N 0.083 108.821 108.800 -0.102 0.000 2.545 625 G HA2 -0.256 3.702 3.960 -0.003 0.000 0.217 625 G HA3 -0.256 3.702 3.960 -0.003 0.000 0.217 625 G C 1.574 176.463 174.900 -0.017 0.000 1.218 625 G CA 1.168 46.244 45.100 -0.040 0.000 0.787 625 G HN 0.419 nan 8.290 nan 0.000 0.571 626 L N 0.420 121.643 121.223 -0.002 0.000 2.013 626 L HA -0.178 4.160 4.340 -0.003 0.000 0.212 626 L C 3.292 180.196 176.870 0.056 0.000 1.073 626 L CA 2.085 56.958 54.840 0.055 0.000 0.753 626 L CB -0.983 41.127 42.059 0.086 0.000 0.890 626 L HN 0.283 nan 8.230 nan 0.000 0.432 627 T N -0.466 114.099 114.554 0.019 0.000 2.635 627 T HA -0.264 4.084 4.350 -0.003 0.000 0.267 627 T C 1.910 176.585 174.700 -0.042 0.000 1.040 627 T CA 1.529 63.634 62.100 0.008 0.000 1.156 627 T CB -0.175 68.652 68.868 -0.069 0.000 0.863 627 T HN 0.204 nan 8.240 nan 0.000 0.430 628 M N 1.193 120.758 119.600 -0.059 0.000 2.175 628 M HA -0.067 4.411 4.480 -0.003 0.000 0.264 628 M C 2.397 178.688 176.300 -0.015 0.000 1.063 628 M CA 1.424 56.701 55.300 -0.038 0.000 1.119 628 M CB -0.979 31.598 32.600 -0.040 0.000 1.377 628 M HN 0.411 nan 8.290 nan 0.000 0.415 629 Q N 0.117 119.911 119.800 -0.010 0.000 2.170 629 Q HA -0.081 4.257 4.340 -0.003 0.000 0.203 629 Q C 1.945 177.902 176.000 -0.072 0.000 0.976 629 Q CA 0.988 56.802 55.803 0.018 0.000 0.858 629 Q CB -0.173 28.599 28.738 0.057 0.000 0.907 629 Q HN 0.506 nan 8.270 nan 0.000 0.433 630 L N 0.027 121.108 121.223 -0.237 0.000 2.492 630 L HA -0.011 4.327 4.340 -0.003 0.000 0.223 630 L C 1.589 178.286 176.870 -0.287 0.000 1.132 630 L CA 0.284 54.775 54.840 -0.582 0.000 0.850 630 L CB 0.115 41.894 42.059 -0.468 0.000 0.966 630 L HN 0.202 nan 8.230 nan 0.000 0.454 631 L N -0.413 120.758 121.223 -0.088 0.000 2.607 631 L HA 0.069 4.407 4.340 -0.003 0.000 0.228 631 L C 0.797 177.725 176.870 0.095 0.000 1.123 631 L CA -0.427 54.425 54.840 0.020 0.000 0.890 631 L CB -0.409 41.669 42.059 0.033 0.000 1.103 631 L HN 0.304 nan 8.230 nan 0.000 0.468 632 D N -0.620 119.795 120.400 0.024 0.000 2.425 632 D HA -0.059 4.579 4.640 -0.003 0.000 0.274 632 D C 1.438 177.445 176.300 -0.488 0.000 1.242 632 D CA -0.179 53.645 54.000 -0.292 0.000 1.060 632 D CB 0.236 40.902 40.800 -0.224 0.000 1.112 632 D HN 0.135 nan 8.370 nan 0.000 0.561 633 C N -1.815 116.919 119.300 -0.942 0.000 2.522 633 C HA 0.226 4.683 4.460 -0.003 0.000 0.271 633 C C 1.366 176.160 174.990 -0.328 0.000 1.425 633 C CA -0.286 58.360 59.018 -0.620 0.000 1.751 633 C CB -1.937 25.439 27.740 -0.606 0.000 1.775 633 C HN 0.466 nan 8.230 nan 0.000 0.557 634 N N -0.548 117.958 118.700 -0.323 0.000 2.398 634 N HA 0.249 4.987 4.740 -0.003 0.000 0.188 634 N C -0.723 174.245 175.510 -0.903 0.000 1.122 634 N CA 0.412 53.133 53.050 -0.549 0.000 0.866 634 N CB 0.052 38.157 38.487 -0.637 0.000 0.970 634 N HN 0.554 nan 8.380 nan 0.000 0.462 635 F N -1.019 118.826 119.950 -0.175 0.000 2.539 635 F HA 0.396 4.921 4.527 -0.003 0.000 0.318 635 F C 0.309 175.945 175.800 -0.274 0.000 1.135 635 F CA -0.864 57.015 58.000 -0.202 0.000 0.915 635 F CB 2.095 41.013 39.000 -0.137 0.000 1.176 635 F HN -0.250 nan 8.300 nan 0.000 0.440 636 S N 0.817 116.332 115.700 -0.308 0.000 3.031 636 S HA 0.075 4.543 4.470 -0.003 0.000 0.253 636 S C -0.893 173.477 174.600 -0.383 0.000 0.996 636 S CA -0.417 57.533 58.200 -0.416 0.000 1.098 636 S CB -0.102 62.656 63.200 -0.737 0.000 1.042 636 S HN 0.671 nan 8.310 nan 0.000 0.593 637 D N 1.470 121.713 120.400 -0.262 0.000 2.349 637 D HA 0.316 4.954 4.640 -0.003 0.000 0.232 637 D C 1.009 177.272 176.300 -0.061 0.000 1.071 637 D CA -0.286 53.630 54.000 -0.140 0.000 0.832 637 D CB 0.831 41.482 40.800 -0.247 0.000 1.086 637 D HN 0.011 nan 8.370 nan 0.000 0.504 638 E N 2.000 122.205 120.200 0.009 0.000 2.136 638 E HA -0.308 4.040 4.350 -0.003 0.000 0.208 638 E C 1.138 177.702 176.600 -0.060 0.000 1.035 638 E CA 1.368 57.773 56.400 0.009 0.000 0.838 638 E CB 0.114 29.851 29.700 0.062 0.000 0.748 638 E HN 0.533 nan 8.360 nan 0.000 0.459 639 N N -0.067 118.566 118.700 -0.111 0.000 2.216 639 N HA -0.101 4.637 4.740 -0.003 0.000 0.183 639 N C 2.005 177.361 175.510 -0.257 0.000 1.017 639 N CA 0.908 53.824 53.050 -0.224 0.000 0.861 639 N CB -0.239 37.962 38.487 -0.476 0.000 0.986 639 N HN 0.034 nan 8.380 nan 0.000 0.428 640 V N 2.093 121.847 119.914 -0.266 0.000 2.261 640 V HA -0.214 3.904 4.120 -0.003 0.000 0.246 640 V C 2.401 178.288 176.094 -0.345 0.000 1.047 640 V CA 1.611 63.640 62.300 -0.451 0.000 1.015 640 V CB -0.497 31.077 31.823 -0.415 0.000 0.642 640 V HN 0.251 nan 8.190 nan 0.000 0.446 641 R N 0.240 120.614 120.500 -0.209 0.000 2.096 641 R HA -0.104 4.234 4.340 -0.003 0.000 0.235 641 R C 2.436 178.663 176.300 -0.122 0.000 1.127 641 R CA 1.417 57.429 56.100 -0.146 0.000 0.968 641 R CB -0.655 29.604 30.300 -0.068 0.000 0.861 641 R HN 0.543 nan 8.270 nan 0.000 0.440 642 A N 1.855 124.610 122.820 -0.107 0.000 1.933 642 A HA -0.157 4.161 4.320 -0.003 0.000 0.218 642 A C 2.212 179.755 177.584 -0.068 0.000 1.175 642 A CA 1.567 53.563 52.037 -0.068 0.000 0.628 642 A CB -0.613 18.355 19.000 -0.052 0.000 0.814 642 A HN 0.476 nan 8.150 nan 0.000 0.444 643 I N -3.123 117.370 120.570 -0.129 0.000 2.676 643 I HA 0.098 4.266 4.170 -0.003 0.000 0.259 643 I C 2.214 178.367 176.117 0.060 0.000 1.194 643 I CA 1.192 62.441 61.300 -0.086 0.000 1.473 643 I CB -0.325 37.474 38.000 -0.335 0.000 1.096 643 I HN 0.143 nan 8.210 nan 0.000 0.443 644 A N 1.579 124.380 122.820 -0.032 0.000 1.854 644 A HA -0.037 4.281 4.320 -0.003 0.000 0.214 644 A C 2.371 179.946 177.584 -0.015 0.000 1.192 644 A CA 1.940 54.008 52.037 0.051 0.000 0.611 644 A CB -1.141 17.821 19.000 -0.063 0.000 0.832 644 A HN 0.294 nan 8.150 nan 0.000 0.442 645 V N 0.682 120.540 119.914 -0.094 0.000 2.392 645 V HA -0.351 3.767 4.120 -0.003 0.000 0.249 645 V C 2.722 178.723 176.094 -0.154 0.000 1.059 645 V CA 2.317 64.494 62.300 -0.205 0.000 1.051 645 V CB -0.989 30.741 31.823 -0.154 0.000 0.658 645 V HN 0.758 nan 8.190 nan 0.000 0.455 646 Q N 0.379 120.166 119.800 -0.021 0.000 2.062 646 Q HA -0.363 3.975 4.340 -0.003 0.000 0.209 646 Q C 2.293 178.310 176.000 0.028 0.000 0.996 646 Q CA 2.551 58.380 55.803 0.043 0.000 0.859 646 Q CB -0.133 28.675 28.738 0.115 0.000 0.920 646 Q HN 0.501 nan 8.270 nan 0.000 0.415 647 K N 0.177 120.605 120.400 0.046 0.000 2.211 647 K HA -0.032 4.286 4.320 -0.003 0.000 0.203 647 K C 2.031 178.580 176.600 -0.086 0.000 1.050 647 K CA 0.753 57.021 56.287 -0.032 0.000 0.945 647 K CB -0.137 32.336 32.500 -0.045 0.000 0.732 647 K HN 0.279 nan 8.250 nan 0.000 0.451 648 L N 0.555 121.688 121.223 -0.151 0.000 2.093 648 L HA -0.151 4.187 4.340 -0.003 0.000 0.208 648 L C 1.944 178.803 176.870 -0.018 0.000 1.085 648 L CA 0.919 55.637 54.840 -0.205 0.000 0.755 648 L CB -0.484 41.216 42.059 -0.598 0.000 0.904 648 L HN 0.160 nan 8.230 nan 0.000 0.435 649 E N 0.470 120.692 120.200 0.036 0.000 2.236 649 E HA -0.257 4.091 4.350 -0.003 0.000 0.205 649 E C 2.123 178.831 176.600 0.180 0.000 1.028 649 E CA 1.861 58.408 56.400 0.245 0.000 0.827 649 E CB -0.413 29.389 29.700 0.170 0.000 0.735 649 E HN 0.619 nan 8.360 nan 0.000 0.470 650 S N -0.135 115.620 115.700 0.090 0.000 2.650 650 S HA 0.094 4.562 4.470 -0.003 0.000 0.219 650 S C 0.973 175.621 174.600 0.079 0.000 0.960 650 S CA -0.201 58.038 58.200 0.064 0.000 0.925 650 S CB -0.208 62.998 63.200 0.011 0.000 0.775 650 S HN 0.056 nan 8.310 nan 0.000 0.525 651 L N 3.250 124.548 121.223 0.126 0.000 2.360 651 L HA 0.248 4.586 4.340 -0.003 0.000 0.276 651 L C 0.777 177.741 176.870 0.156 0.000 1.121 651 L CA -0.421 54.508 54.840 0.148 0.000 0.845 651 L CB 0.580 42.765 42.059 0.209 0.000 1.143 651 L HN 0.467 nan 8.230 nan 0.000 0.452 652 E N 2.413 122.692 120.200 0.132 0.000 2.349 652 E HA 0.067 4.415 4.350 -0.003 0.000 0.262 652 E C -0.340 176.351 176.600 0.151 0.000 1.088 652 E CA -0.844 55.629 56.400 0.122 0.000 0.899 652 E CB 1.104 30.862 29.700 0.098 0.000 1.044 652 E HN 0.492 nan 8.360 nan 0.000 0.420 653 D N 1.751 122.232 120.400 0.134 0.000 2.116 653 D HA -0.236 4.402 4.640 -0.003 0.000 0.193 653 D C 1.299 177.699 176.300 0.168 0.000 0.998 653 D CA 1.898 55.978 54.000 0.132 0.000 0.836 653 D CB -0.413 40.450 40.800 0.106 0.000 0.951 653 D HN 0.717 nan 8.370 nan 0.000 0.449 654 D N 0.923 121.454 120.400 0.218 0.000 2.347 654 D HA -0.217 4.421 4.640 -0.003 0.000 0.189 654 D C 1.325 177.793 176.300 0.279 0.000 1.020 654 D CA 1.995 56.157 54.000 0.270 0.000 0.875 654 D CB 0.006 40.946 40.800 0.232 0.000 0.928 654 D HN 0.085 nan 8.370 nan 0.000 0.454 655 D N -0.965 119.621 120.400 0.310 0.000 2.213 655 D HA -0.038 4.600 4.640 -0.003 0.000 0.205 655 D C 2.366 178.884 176.300 0.364 0.000 0.961 655 D CA 0.397 54.645 54.000 0.414 0.000 0.853 655 D CB -0.149 40.860 40.800 0.348 0.000 0.967 655 D HN 0.228 nan 8.370 nan 0.000 0.496 656 V N 1.565 121.642 119.914 0.272 0.000 2.332 656 V HA -0.235 3.883 4.120 -0.003 0.000 0.248 656 V C 2.687 178.892 176.094 0.185 0.000 1.055 656 V CA 1.187 63.645 62.300 0.264 0.000 1.038 656 V CB -0.605 31.336 31.823 0.197 0.000 0.651 656 V HN 0.171 nan 8.190 nan 0.000 0.450 657 L N -0.774 120.496 121.223 0.078 0.000 2.079 657 L HA -0.250 4.088 4.340 -0.003 0.000 0.210 657 L C 2.518 179.301 176.870 -0.146 0.000 1.081 657 L CA 1.939 56.740 54.840 -0.064 0.000 0.752 657 L CB -0.834 41.139 42.059 -0.144 0.000 0.896 657 L HN 0.408 nan 8.230 nan 0.000 0.433 658 H N -1.754 117.260 119.070 -0.095 0.000 2.319 658 H HA -0.199 4.355 4.556 -0.003 0.000 0.299 658 H C 1.298 176.380 175.328 -0.411 0.000 1.092 658 H CA 2.263 58.098 56.048 -0.355 0.000 1.302 658 H CB -0.050 29.331 29.762 -0.636 0.000 1.373 658 H HN 0.323 nan 8.280 nan 0.000 0.497 659 Y N -1.160 119.242 120.300 0.169 0.000 2.467 659 Y HA 0.070 4.618 4.550 -0.003 0.000 0.250 659 Y C 1.655 177.632 175.900 0.127 0.000 1.155 659 Y CA -0.469 57.703 58.100 0.120 0.000 1.249 659 Y CB 0.424 38.949 38.460 0.109 0.000 1.146 659 Y HN 0.094 nan 8.280 nan 0.000 0.524 660 L N 0.229 121.601 121.223 0.248 0.000 2.013 660 L HA -0.252 4.086 4.340 -0.003 0.000 0.212 660 L C 2.206 179.254 176.870 0.297 0.000 1.073 660 L CA 1.685 56.685 54.840 0.267 0.000 0.753 660 L CB -0.786 41.411 42.059 0.231 0.000 0.890 660 L HN 0.319 nan 8.230 nan 0.000 0.432 661 L N -0.907 120.475 121.223 0.264 0.000 2.012 661 L HA -0.264 4.074 4.340 -0.003 0.000 0.210 661 L C 2.529 179.383 176.870 -0.027 0.000 1.073 661 L CA 1.903 56.726 54.840 -0.028 0.000 0.748 661 L CB -0.662 41.185 42.059 -0.353 0.000 0.891 661 L HN 0.389 nan 8.230 nan 0.000 0.431 662 Q N -1.019 118.807 119.800 0.043 0.000 2.079 662 Q HA -0.107 4.231 4.340 -0.003 0.000 0.200 662 Q C 2.216 178.268 176.000 0.088 0.000 0.974 662 Q CA 1.659 57.497 55.803 0.059 0.000 0.840 662 Q CB -0.222 28.584 28.738 0.114 0.000 0.898 662 Q HN 0.532 nan 8.270 nan 0.000 0.430 663 L N -0.733 120.572 121.223 0.137 0.000 2.042 663 L HA -0.208 4.130 4.340 -0.003 0.000 0.210 663 L C 2.131 179.075 176.870 0.122 0.000 1.076 663 L CA 0.905 55.830 54.840 0.141 0.000 0.749 663 L CB -0.549 41.630 42.059 0.200 0.000 0.893 663 L HN 0.141 nan 8.230 nan 0.000 0.432 664 V N -0.893 119.091 119.914 0.115 0.000 2.427 664 V HA -0.220 3.898 4.120 -0.003 0.000 0.248 664 V C 2.529 178.634 176.094 0.019 0.000 1.051 664 V CA 1.348 63.698 62.300 0.083 0.000 1.048 664 V CB -0.459 31.404 31.823 0.068 0.000 0.666 664 V HN 0.460 nan 8.190 nan 0.000 0.456 665 Q N 0.087 119.855 119.800 -0.053 0.000 2.119 665 Q HA -0.085 4.253 4.340 -0.003 0.000 0.201 665 Q C 2.441 178.317 176.000 -0.207 0.000 0.972 665 Q CA 1.707 57.431 55.803 -0.131 0.000 0.847 665 Q CB -0.607 28.043 28.738 -0.148 0.000 0.903 665 Q HN 0.638 nan 8.270 nan 0.000 0.433 666 A N 0.583 123.357 122.820 -0.076 0.000 2.076 666 A HA -0.104 4.214 4.320 -0.003 0.000 0.220 666 A C 2.334 179.854 177.584 -0.107 0.000 1.160 666 A CA 1.022 53.040 52.037 -0.031 0.000 0.653 666 A CB -0.544 18.549 19.000 0.154 0.000 0.801 666 A HN 0.200 nan 8.150 nan 0.000 0.455 667 V N 0.131 120.013 119.914 -0.052 0.000 2.688 667 V HA -0.282 3.836 4.120 -0.003 0.000 0.256 667 V C 2.288 178.217 176.094 -0.275 0.000 1.084 667 V CA 2.203 64.472 62.300 -0.053 0.000 1.103 667 V CB -0.660 31.230 31.823 0.111 0.000 0.688 667 V HN 0.576 nan 8.190 nan 0.000 0.480 668 K N -0.517 119.548 120.400 -0.558 0.000 2.280 668 K HA -0.088 4.230 4.320 -0.003 0.000 0.202 668 K C 1.652 177.923 176.600 -0.549 0.000 1.047 668 K CA 1.366 57.095 56.287 -0.930 0.000 0.942 668 K CB -0.201 31.527 32.500 -1.287 0.000 0.739 668 K HN 0.531 nan 8.250 nan 0.000 0.457 669 F N 1.295 121.175 119.950 -0.118 0.000 2.765 669 F HA 0.080 4.605 4.527 -0.003 0.000 0.302 669 F C 0.708 176.466 175.800 -0.070 0.000 1.111 669 F CA -0.386 57.571 58.000 -0.071 0.000 1.359 669 F CB 0.270 39.238 39.000 -0.053 0.000 1.097 669 F HN -0.200 nan 8.300 nan 0.000 0.577 670 E N 1.953 122.185 120.200 0.053 0.000 2.324 670 E HA 0.037 4.385 4.350 -0.003 0.000 0.271 670 E C -1.567 175.001 176.600 -0.052 0.000 1.028 670 E CA -1.388 55.022 56.400 0.016 0.000 0.890 670 E CB 0.901 30.617 29.700 0.027 0.000 1.004 670 E HN 0.074 nan 8.360 nan 0.000 0.431 671 P HA -0.116 nan 4.420 nan 0.000 0.216 671 P C -0.319 176.688 177.300 -0.487 0.000 1.150 671 P CA 1.402 64.284 63.100 -0.363 0.000 0.837 671 P CB 0.130 31.515 31.700 -0.525 0.000 0.786 672 Y N -2.704 117.527 120.300 -0.116 0.000 2.468 672 Y HA 0.242 4.790 4.550 -0.003 0.000 0.342 672 Y C 2.003 177.854 175.900 -0.083 0.000 1.021 672 Y CA -0.909 57.100 58.100 -0.152 0.000 1.079 672 Y CB 0.993 39.406 38.460 -0.079 0.000 1.226 672 Y HN -0.117 nan 8.280 nan 0.000 0.460 673 H N -0.282 118.879 119.070 0.152 0.000 2.290 673 H HA -0.160 4.394 4.556 -0.003 0.000 0.298 673 H C 0.360 175.729 175.328 0.068 0.000 1.087 673 H CA 1.528 57.609 56.048 0.055 0.000 1.291 673 H CB -0.098 29.679 29.762 0.025 0.000 1.369 673 H HN 0.601 nan 8.280 nan 0.000 0.492 674 D N 1.240 121.785 120.400 0.241 0.000 2.382 674 D HA 0.142 4.780 4.640 -0.003 0.000 0.245 674 D C -0.278 176.112 176.300 0.150 0.000 1.120 674 D CA 0.271 54.368 54.000 0.162 0.000 0.890 674 D CB 0.778 41.669 40.800 0.152 0.000 1.201 674 D HN 0.377 nan 8.370 nan 0.000 0.433 675 S N 0.934 116.706 115.700 0.121 0.000 2.597 675 S HA 0.486 4.954 4.470 -0.003 0.000 0.274 675 S C 0.692 175.354 174.600 0.104 0.000 1.132 675 S CA -0.326 57.940 58.200 0.110 0.000 0.835 675 S CB 0.859 64.123 63.200 0.108 0.000 1.092 675 S HN 0.415 nan 8.310 nan 0.000 0.457 676 A N 0.983 123.857 122.820 0.090 0.000 1.896 676 A HA -0.135 4.183 4.320 -0.003 0.000 0.220 676 A C 2.023 179.686 177.584 0.132 0.000 1.206 676 A CA 2.292 54.384 52.037 0.093 0.000 0.647 676 A CB -1.043 17.988 19.000 0.051 0.000 0.828 676 A HN 1.206 nan 8.150 nan 0.000 0.455 677 L N -0.614 120.674 121.223 0.108 0.000 2.027 677 L HA -0.028 4.310 4.340 -0.003 0.000 0.206 677 L C 2.774 179.769 176.870 0.207 0.000 1.074 677 L CA 2.282 57.209 54.840 0.145 0.000 0.745 677 L CB -0.817 41.297 42.059 0.092 0.000 0.898 677 L HN 0.373 nan 8.230 nan 0.000 0.433 678 A N -0.441 122.471 122.820 0.154 0.000 1.883 678 A HA -0.264 4.054 4.320 -0.003 0.000 0.217 678 A C 2.397 180.070 177.584 0.148 0.000 1.186 678 A CA 2.063 54.187 52.037 0.145 0.000 0.624 678 A CB -0.590 18.478 19.000 0.114 0.000 0.822 678 A HN 0.463 nan 8.150 nan 0.000 0.444 679 R N -1.870 118.717 120.500 0.145 0.000 2.148 679 R HA -0.013 4.325 4.340 -0.003 0.000 0.227 679 R C 1.805 178.206 176.300 0.168 0.000 1.103 679 R CA 1.348 57.526 56.100 0.131 0.000 0.983 679 R CB -0.484 29.884 30.300 0.113 0.000 0.874 679 R HN 0.675 nan 8.270 nan 0.000 0.451 680 F N 0.358 120.345 119.950 0.061 0.000 2.163 680 F HA -0.028 4.497 4.527 -0.003 0.000 0.297 680 F C 1.498 177.340 175.800 0.069 0.000 1.094 680 F CA 1.153 59.190 58.000 0.062 0.000 1.290 680 F CB -0.011 39.025 39.000 0.061 0.000 1.017 680 F HN -0.110 nan 8.300 nan 0.000 0.483 681 L N 0.009 121.351 121.223 0.200 0.000 2.017 681 L HA -0.235 4.103 4.340 -0.003 0.000 0.208 681 L C 2.600 179.453 176.870 -0.028 0.000 1.073 681 L CA 1.114 55.991 54.840 0.061 0.000 0.745 681 L CB -0.884 41.267 42.059 0.154 0.000 0.894 681 L HN 0.274 nan 8.230 nan 0.000 0.432 682 L N 0.079 121.326 121.223 0.040 0.000 1.997 682 L HA -0.323 4.015 4.340 -0.003 0.000 0.216 682 L C 2.761 179.652 176.870 0.035 0.000 1.074 682 L CA 1.865 56.746 54.840 0.069 0.000 0.763 682 L CB -0.277 41.832 42.059 0.082 0.000 0.890 682 L HN 0.313 nan 8.230 nan 0.000 0.434 683 K N -0.869 119.511 120.400 -0.034 0.000 2.020 683 K HA -0.205 4.113 4.320 -0.003 0.000 0.212 683 K C 2.070 178.611 176.600 -0.098 0.000 1.050 683 K CA 1.384 57.631 56.287 -0.067 0.000 0.929 683 K CB -0.126 32.316 32.500 -0.098 0.000 0.714 683 K HN 0.248 nan 8.250 nan 0.000 0.443 684 R N -0.175 120.188 120.500 -0.228 0.000 2.115 684 R HA -0.025 4.313 4.340 -0.003 0.000 0.226 684 R C 2.310 178.580 176.300 -0.049 0.000 1.100 684 R CA 1.198 57.172 56.100 -0.211 0.000 0.980 684 R CB -0.953 29.092 30.300 -0.424 0.000 0.875 684 R HN 0.380 nan 8.270 nan 0.000 0.445 685 G N 0.604 109.403 108.800 -0.003 0.000 2.421 685 G HA2 -0.142 3.816 3.960 -0.003 0.000 0.217 685 G HA3 -0.142 3.816 3.960 -0.003 0.000 0.217 685 G C 1.522 176.635 174.900 0.355 0.000 1.143 685 G CA 0.056 45.219 45.100 0.104 0.000 0.784 685 G HN 0.194 nan 8.290 nan 0.000 0.541 686 L N -0.404 120.983 121.223 0.273 0.000 2.217 686 L HA 0.126 4.464 4.340 -0.003 0.000 0.211 686 L C 2.806 179.725 176.870 0.082 0.000 1.107 686 L CA 0.492 55.429 54.840 0.163 0.000 0.783 686 L CB -0.162 41.910 42.059 0.021 0.000 0.919 686 L HN 0.168 nan 8.230 nan 0.000 0.442 687 R N -0.012 120.538 120.500 0.085 0.000 2.200 687 R HA -0.012 4.326 4.340 -0.003 0.000 0.208 687 R C 0.411 176.844 176.300 0.221 0.000 1.033 687 R CA 0.441 56.590 56.100 0.081 0.000 1.000 687 R CB 0.360 30.676 30.300 0.026 0.000 0.906 687 R HN 0.190 nan 8.270 nan 0.000 0.462 688 N N 0.540 119.378 118.700 0.231 0.000 2.533 688 N HA 0.077 4.815 4.740 -0.003 0.000 0.289 688 N C -0.370 175.218 175.510 0.131 0.000 1.103 688 N CA -0.189 52.967 53.050 0.177 0.000 0.877 688 N CB 1.645 40.184 38.487 0.087 0.000 1.419 688 N HN -0.060 nan 8.380 nan 0.000 0.517 689 K N 1.633 122.031 120.400 -0.003 0.000 2.160 689 K HA -0.182 4.135 4.320 -0.003 0.000 0.206 689 K C 1.651 178.151 176.600 -0.166 0.000 1.047 689 K CA 1.269 57.462 56.287 -0.156 0.000 0.930 689 K CB 0.294 32.486 32.500 -0.514 0.000 0.720 689 K HN 0.461 nan 8.250 nan 0.000 0.450 690 R N 1.155 121.544 120.500 -0.185 0.000 2.066 690 R HA -0.035 4.303 4.340 -0.003 0.000 0.232 690 R C 2.200 178.489 176.300 -0.018 0.000 1.131 690 R CA 1.090 57.072 56.100 -0.197 0.000 0.955 690 R CB -0.080 30.053 30.300 -0.278 0.000 0.851 690 R HN 0.109 nan 8.270 nan 0.000 0.432 691 I N 0.069 120.642 120.570 0.005 0.000 2.286 691 I HA -0.154 4.014 4.170 -0.003 0.000 0.248 691 I C 2.386 178.480 176.117 -0.037 0.000 1.115 691 I CA 1.361 62.674 61.300 0.022 0.000 1.392 691 I CB -0.790 37.214 38.000 0.006 0.000 1.065 691 I HN 0.431 nan 8.210 nan 0.000 0.418 692 G N 0.219 109.029 108.800 0.016 0.000 2.440 692 G HA2 -0.347 3.611 3.960 -0.003 0.000 0.218 692 G HA3 -0.347 3.611 3.960 -0.003 0.000 0.218 692 G C 1.488 176.332 174.900 -0.094 0.000 1.154 692 G CA 1.366 46.446 45.100 -0.034 0.000 0.767 692 G HN 0.436 nan 8.290 nan 0.000 0.552 693 H N -0.244 118.789 119.070 -0.062 0.000 2.293 693 H HA 0.012 4.566 4.556 -0.004 0.000 0.300 693 H C 2.235 177.491 175.328 -0.120 0.000 1.082 693 H CA 1.783 57.803 56.048 -0.046 0.000 1.308 693 H CB -0.320 29.222 29.762 -0.367 0.000 1.375 693 H HN 0.367 nan 8.280 nan 0.000 0.495 694 F N -0.642 119.247 119.950 -0.102 0.000 2.186 694 F HA -0.099 4.426 4.527 -0.003 0.000 0.299 694 F C 2.347 177.618 175.800 -0.882 0.000 1.090 694 F CA 0.525 58.214 58.000 -0.519 0.000 1.307 694 F CB -0.239 38.388 39.000 -0.622 0.000 1.019 694 F HN 0.231 nan 8.300 nan 0.000 0.489 695 L N 0.059 121.029 121.223 -0.422 0.000 2.012 695 L HA -0.242 4.096 4.340 -0.003 0.000 0.210 695 L C 2.189 178.810 176.870 -0.415 0.000 1.073 695 L CA 1.688 56.284 54.840 -0.406 0.000 0.748 695 L CB -1.236 40.582 42.059 -0.402 0.000 0.891 695 L HN 0.211 nan 8.230 nan 0.000 0.431 696 F N -0.828 118.712 119.950 -0.683 0.000 2.065 696 F HA -0.286 4.239 4.527 -0.003 0.000 0.298 696 F C 1.920 177.335 175.800 -0.642 0.000 1.112 696 F CA 2.117 59.635 58.000 -0.804 0.000 1.212 696 F CB -0.727 37.533 39.000 -1.232 0.000 0.975 696 F HN 0.139 nan 8.300 nan 0.000 0.476 697 W N -0.160 120.982 121.300 -0.264 0.000 2.388 697 W HA -0.117 4.541 4.660 -0.003 0.000 0.294 697 W C 2.467 178.991 176.519 0.008 0.000 1.212 697 W CA 1.274 58.525 57.345 -0.157 0.000 1.271 697 W CB -0.782 28.709 29.460 0.053 0.000 1.126 697 W HN 0.041 nan 8.180 nan 0.000 0.535 698 F N -0.484 119.462 119.950 -0.006 0.000 2.186 698 F HA -0.191 4.334 4.527 -0.003 0.000 0.299 698 F C 2.070 177.683 175.800 -0.311 0.000 1.090 698 F CA 0.510 58.443 58.000 -0.111 0.000 1.307 698 F CB -0.680 38.263 39.000 -0.096 0.000 1.019 698 F HN -0.170 nan 8.300 nan 0.000 0.489 699 L N -0.215 120.881 121.223 -0.212 0.000 2.131 699 L HA -0.126 4.212 4.340 -0.003 0.000 0.206 699 L C 2.546 179.174 176.870 -0.403 0.000 1.087 699 L CA 0.954 55.544 54.840 -0.417 0.000 0.767 699 L CB -0.456 41.389 42.059 -0.357 0.000 0.917 699 L HN 0.016 nan 8.230 nan 0.000 0.441 700 R N -0.584 119.623 120.500 -0.489 0.000 2.090 700 R HA -0.151 4.187 4.340 -0.003 0.000 0.228 700 R C 2.565 178.741 176.300 -0.205 0.000 1.110 700 R CA 1.332 57.145 56.100 -0.479 0.000 0.973 700 R CB -0.120 29.647 30.300 -0.890 0.000 0.869 700 R HN 0.207 nan 8.270 nan 0.000 0.440 701 S N 0.334 115.977 115.700 -0.096 0.000 2.370 701 S HA -0.159 4.309 4.470 -0.003 0.000 0.226 701 S C 1.620 176.176 174.600 -0.072 0.000 1.033 701 S CA 1.397 59.589 58.200 -0.014 0.000 1.011 701 S CB -0.094 63.120 63.200 0.023 0.000 0.852 701 S HN 0.358 nan 8.310 nan 0.000 0.457 702 E N 0.726 120.823 120.200 -0.172 0.000 2.051 702 E HA 0.055 4.403 4.350 -0.003 0.000 0.189 702 E C 2.137 178.721 176.600 -0.027 0.000 0.979 702 E CA 0.767 57.081 56.400 -0.144 0.000 0.803 702 E CB -0.572 28.908 29.700 -0.367 0.000 0.761 702 E HN 0.575 nan 8.360 nan 0.000 0.451 703 I N 1.544 122.081 120.570 -0.054 0.000 2.145 703 I HA -0.339 3.829 4.170 -0.003 0.000 0.244 703 I C 2.420 178.548 176.117 0.020 0.000 1.075 703 I CA 1.509 62.806 61.300 -0.005 0.000 1.332 703 I CB -0.273 37.695 38.000 -0.053 0.000 1.033 703 I HN 0.023 nan 8.210 nan 0.000 0.410 704 A N 0.124 122.948 122.820 0.006 0.000 1.940 704 A HA -0.256 4.062 4.320 -0.003 0.000 0.219 704 A C 2.085 179.706 177.584 0.062 0.000 1.176 704 A CA 2.094 54.155 52.037 0.040 0.000 0.631 704 A CB -0.528 18.495 19.000 0.038 0.000 0.814 704 A HN 0.706 nan 8.150 nan 0.000 0.446 705 Q N -1.590 118.243 119.800 0.055 0.000 2.139 705 Q HA 0.337 4.675 4.340 -0.003 0.000 0.219 705 Q C -0.011 176.041 176.000 0.088 0.000 0.805 705 Q CA 0.444 56.289 55.803 0.071 0.000 1.024 705 Q CB 0.230 29.005 28.738 0.061 0.000 1.163 705 Q HN 0.316 nan 8.270 nan 0.000 0.485 706 S N 0.669 116.430 115.700 0.103 0.000 2.664 706 S HA 0.346 4.814 4.470 -0.003 0.000 0.262 706 S C 0.526 175.207 174.600 0.135 0.000 1.229 706 S CA -0.727 57.561 58.200 0.147 0.000 1.151 706 S CB 0.791 64.106 63.200 0.193 0.000 1.054 706 S HN 0.352 nan 8.310 nan 0.000 0.483 707 R N 2.307 122.879 120.500 0.120 0.000 2.152 707 R HA -0.084 4.254 4.340 -0.003 0.000 0.232 707 R C 0.944 177.219 176.300 -0.042 0.000 1.117 707 R CA 1.436 57.590 56.100 0.089 0.000 0.981 707 R CB -0.506 29.917 30.300 0.206 0.000 0.870 707 R HN 0.734 nan 8.270 nan 0.000 0.451 708 H N -1.229 117.656 119.070 -0.309 0.000 2.421 708 H HA -0.105 4.449 4.556 -0.003 0.000 0.298 708 H C 0.621 175.588 175.328 -0.601 0.000 1.087 708 H CA 1.448 57.128 56.048 -0.615 0.000 1.330 708 H CB 0.023 29.346 29.762 -0.731 0.000 1.388 708 H HN 0.267 nan 8.280 nan 0.000 0.526 709 Y N -0.431 119.874 120.300 0.008 0.000 2.610 709 Y HA 0.037 4.584 4.550 -0.004 0.000 0.254 709 Y C 1.925 177.777 175.900 -0.081 0.000 1.110 709 Y CA -0.335 57.710 58.100 -0.090 0.000 1.238 709 Y CB 0.484 38.884 38.460 -0.099 0.000 1.322 709 Y HN 0.202 nan 8.280 nan 0.000 0.547 710 Q N 0.519 120.335 119.800 0.026 0.000 2.135 710 Q HA -0.241 4.097 4.340 -0.003 0.000 0.204 710 Q C 1.206 176.966 176.000 -0.401 0.000 0.981 710 Q CA 1.913 57.645 55.803 -0.118 0.000 0.856 710 Q CB -0.304 28.318 28.738 -0.193 0.000 0.902 710 Q HN 0.546 nan 8.270 nan 0.000 0.425 711 Q N 0.567 120.083 119.800 -0.473 0.000 2.050 711 Q HA -0.150 4.188 4.340 -0.003 0.000 0.202 711 Q C 2.292 178.063 176.000 -0.381 0.000 0.980 711 Q CA 1.640 57.133 55.803 -0.516 0.000 0.840 711 Q CB -0.189 28.359 28.738 -0.317 0.000 0.898 711 Q HN 0.420 nan 8.270 nan 0.000 0.424 712 R N 0.201 120.486 120.500 -0.357 0.000 2.073 712 R HA -0.089 4.248 4.340 -0.003 0.000 0.229 712 R C 1.996 178.146 176.300 -0.250 0.000 1.120 712 R CA 1.038 56.900 56.100 -0.396 0.000 0.967 712 R CB -0.153 29.983 30.300 -0.273 0.000 0.862 712 R HN 0.200 nan 8.270 nan 0.000 0.436 713 F N 0.757 120.648 119.950 -0.098 0.000 2.146 713 F HA -0.102 4.423 4.527 -0.004 0.000 0.298 713 F C 2.669 178.391 175.800 -0.129 0.000 1.096 713 F CA 0.718 58.659 58.000 -0.099 0.000 1.275 713 F CB -0.266 38.676 39.000 -0.097 0.000 1.008 713 F HN 0.200 nan 8.300 nan 0.000 0.480 714 A N 0.110 122.931 122.820 0.002 0.000 1.892 714 A HA -0.189 4.129 4.320 -0.003 0.000 0.218 714 A C 2.275 179.853 177.584 -0.010 0.000 1.188 714 A CA 2.047 54.068 52.037 -0.027 0.000 0.631 714 A CB -1.274 17.694 19.000 -0.053 0.000 0.822 714 A HN 0.186 nan 8.150 nan 0.000 0.447 715 V N 0.081 119.967 119.914 -0.046 0.000 2.392 715 V HA -0.277 3.841 4.120 -0.003 0.000 0.249 715 V C 2.371 178.465 176.094 -0.001 0.000 1.059 715 V CA 2.081 64.359 62.300 -0.037 0.000 1.051 715 V CB -0.652 31.117 31.823 -0.090 0.000 0.658 715 V HN 0.587 nan 8.190 nan 0.000 0.455 716 I N -0.989 119.597 120.570 0.027 0.000 2.439 716 I HA -0.196 3.972 4.170 -0.003 0.000 0.251 716 I C 2.290 178.448 176.117 0.069 0.000 1.139 716 I CA 1.173 62.512 61.300 0.065 0.000 1.438 716 I CB -0.167 37.904 38.000 0.118 0.000 1.085 716 I HN 0.281 nan 8.210 nan 0.000 0.427 717 L N 0.629 121.873 121.223 0.035 0.000 2.023 717 L HA -0.201 4.137 4.340 -0.003 0.000 0.205 717 L C 2.665 179.572 176.870 0.062 0.000 1.073 717 L CA 1.584 56.434 54.840 0.016 0.000 0.745 717 L CB -0.408 41.589 42.059 -0.104 0.000 0.900 717 L HN 0.305 nan 8.230 nan 0.000 0.435 718 E N 0.156 120.362 120.200 0.010 0.000 2.070 718 E HA -0.305 4.043 4.350 -0.003 0.000 0.197 718 E C 1.966 178.565 176.600 -0.001 0.000 1.004 718 E CA 1.547 57.936 56.400 -0.018 0.000 0.805 718 E CB -0.002 29.677 29.700 -0.035 0.000 0.744 718 E HN 0.560 nan 8.360 nan 0.000 0.451 719 A N 0.827 123.662 122.820 0.025 0.000 1.869 719 A HA -0.266 4.051 4.320 -0.003 0.000 0.218 719 A C 2.141 179.760 177.584 0.059 0.000 1.203 719 A CA 1.964 54.022 52.037 0.036 0.000 0.638 719 A CB -1.386 17.644 19.000 0.050 0.000 0.831 719 A HN 0.615 nan 8.150 nan 0.000 0.450 720 Y N 0.505 120.799 120.300 -0.010 0.000 2.081 720 Y HA -0.209 4.340 4.550 -0.003 0.000 0.280 720 Y C 2.030 177.944 175.900 0.023 0.000 1.163 720 Y CA 2.063 60.164 58.100 0.003 0.000 1.135 720 Y CB -0.451 38.004 38.460 -0.008 0.000 0.970 720 Y HN 0.217 nan 8.280 nan 0.000 0.498 721 L N 0.037 121.230 121.223 -0.049 0.000 2.187 721 L HA -0.216 4.122 4.340 -0.003 0.000 0.213 721 L C 2.264 179.073 176.870 -0.102 0.000 1.100 721 L CA 1.336 56.109 54.840 -0.112 0.000 0.765 721 L CB -0.461 41.600 42.059 0.003 0.000 0.904 721 L HN 0.222 nan 8.230 nan 0.000 0.437 722 R N -0.469 119.990 120.500 -0.070 0.000 2.323 722 R HA 0.016 4.354 4.340 -0.003 0.000 0.198 722 R C 1.473 177.759 176.300 -0.023 0.000 0.988 722 R CA 0.660 56.772 56.100 0.020 0.000 1.041 722 R CB 0.044 30.360 30.300 0.027 0.000 0.926 722 R HN 0.329 nan 8.270 nan 0.000 0.476 723 G N -0.749 107.967 108.800 -0.140 0.000 3.651 723 G HA2 -0.039 3.918 3.960 -0.003 0.000 0.267 723 G HA3 -0.039 3.918 3.960 -0.003 0.000 0.267 723 G C 0.979 175.751 174.900 -0.212 0.000 1.009 723 G CA -0.243 44.766 45.100 -0.152 0.000 0.866 723 G HN 0.386 nan 8.290 nan 0.000 0.488 724 C N -0.753 118.379 119.300 -0.279 0.000 2.514 724 C HA 0.605 5.063 4.460 -0.003 0.000 0.271 724 C C 1.479 176.494 174.990 0.041 0.000 1.399 724 C CA -0.177 58.736 59.018 -0.175 0.000 1.765 724 C CB -0.941 26.601 27.740 -0.331 0.000 1.893 724 C HN 1.231 nan 8.230 nan 0.000 0.531 725 G N 0.493 109.292 108.800 -0.002 0.000 2.587 725 G HA2 0.084 4.042 3.960 -0.003 0.000 0.686 725 G HA3 0.084 4.042 3.960 -0.003 0.000 0.686 725 G C 0.280 175.198 174.900 0.030 0.000 1.236 725 G CA 0.234 45.353 45.100 0.032 0.000 0.820 725 G HN 0.860 nan 8.290 nan 0.000 0.645 726 T N -1.243 113.320 114.554 0.015 0.000 2.915 726 T HA 0.221 4.569 4.350 -0.003 0.000 0.269 726 T C 2.644 177.353 174.700 0.014 0.000 1.071 726 T CA 2.247 64.360 62.100 0.021 0.000 1.132 726 T CB -0.252 68.608 68.868 -0.012 0.000 0.878 726 T HN 2.075 nan 8.240 nan 0.000 0.479 727 A N 2.460 125.273 122.820 -0.012 0.000 1.859 727 A HA -0.064 4.254 4.320 -0.003 0.000 0.217 727 A C 2.559 180.100 177.584 -0.071 0.000 1.198 727 A CA 2.084 54.093 52.037 -0.045 0.000 0.629 727 A CB -0.825 18.137 19.000 -0.063 0.000 0.830 727 A HN 0.535 nan 8.150 nan 0.000 0.446 728 M N -1.171 118.363 119.600 -0.111 0.000 2.156 728 M HA -0.009 4.469 4.480 -0.003 0.000 0.264 728 M C 2.254 178.394 176.300 -0.266 0.000 1.067 728 M CA 1.054 56.179 55.300 -0.292 0.000 1.131 728 M CB -0.616 31.850 32.600 -0.223 0.000 1.368 728 M HN 0.362 nan 8.290 nan 0.000 0.416 729 L N -0.481 120.745 121.223 0.004 0.000 2.137 729 L HA -0.289 4.049 4.340 -0.003 0.000 0.213 729 L C 2.559 179.467 176.870 0.064 0.000 1.085 729 L CA 1.593 56.504 54.840 0.119 0.000 0.760 729 L CB -0.747 41.405 42.059 0.154 0.000 0.893 729 L HN 0.373 nan 8.230 nan 0.000 0.434 730 H N -0.445 118.591 119.070 -0.058 0.000 2.395 730 H HA -0.135 4.419 4.556 -0.003 0.000 0.299 730 H C 1.825 177.101 175.328 -0.088 0.000 1.070 730 H CA 1.725 57.743 56.048 -0.050 0.000 1.356 730 H CB 0.157 29.889 29.762 -0.050 0.000 1.401 730 H HN 0.256 nan 8.280 nan 0.000 0.524 731 D N -0.014 120.276 120.400 -0.184 0.000 2.097 731 D HA -0.155 4.483 4.640 -0.003 0.000 0.197 731 D C 2.023 178.169 176.300 -0.256 0.000 0.984 731 D CA 1.210 55.052 54.000 -0.264 0.000 0.826 731 D CB -0.638 39.937 40.800 -0.375 0.000 0.973 731 D HN 0.437 nan 8.370 nan 0.000 0.460 732 F N 1.087 120.894 119.950 -0.238 0.000 2.126 732 F HA -0.182 4.343 4.527 -0.003 0.000 0.299 732 F C 2.622 178.308 175.800 -0.189 0.000 1.096 732 F CA 1.015 58.785 58.000 -0.383 0.000 1.255 732 F CB -0.618 37.913 39.000 -0.780 0.000 0.997 732 F HN -0.085 nan 8.300 nan 0.000 0.479 733 T N -0.577 113.975 114.554 -0.005 0.000 2.746 733 T HA -0.221 4.127 4.350 -0.003 0.000 0.267 733 T C 1.841 176.507 174.700 -0.057 0.000 1.039 733 T CA 1.365 63.447 62.100 -0.029 0.000 1.142 733 T CB -0.328 68.500 68.868 -0.067 0.000 0.866 733 T HN 0.341 nan 8.240 nan 0.000 0.444 734 Q N 0.616 120.334 119.800 -0.138 0.000 2.084 734 Q HA -0.124 4.214 4.340 -0.003 0.000 0.202 734 Q C 2.622 178.632 176.000 0.016 0.000 0.978 734 Q CA 1.257 57.012 55.803 -0.081 0.000 0.844 734 Q CB -0.169 28.513 28.738 -0.093 0.000 0.898 734 Q HN 0.626 nan 8.270 nan 0.000 0.426 735 Q N -0.156 119.711 119.800 0.111 0.000 2.050 735 Q HA -0.142 4.196 4.340 -0.003 0.000 0.202 735 Q C 2.261 178.404 176.000 0.239 0.000 0.980 735 Q CA 1.501 57.447 55.803 0.237 0.000 0.840 735 Q CB -0.088 28.943 28.738 0.489 0.000 0.898 735 Q HN 0.196 nan 8.270 nan 0.000 0.424 736 V N 1.064 121.122 119.914 0.241 0.000 2.332 736 V HA -0.322 3.796 4.120 -0.003 0.000 0.248 736 V C 2.211 178.371 176.094 0.110 0.000 1.055 736 V CA 1.967 64.399 62.300 0.220 0.000 1.038 736 V CB -0.609 31.307 31.823 0.156 0.000 0.651 736 V HN 0.373 nan 8.190 nan 0.000 0.450 737 Q N -0.551 119.274 119.800 0.043 0.000 2.014 737 Q HA -0.222 4.116 4.340 -0.003 0.000 0.207 737 Q C 2.319 178.288 176.000 -0.051 0.000 0.993 737 Q CA 2.671 58.469 55.803 -0.007 0.000 0.850 737 Q CB -0.402 28.319 28.738 -0.028 0.000 0.916 737 Q HN 0.536 nan 8.270 nan 0.000 0.417 738 V N 1.360 121.195 119.914 -0.130 0.000 2.219 738 V HA -0.326 3.792 4.120 -0.003 0.000 0.248 738 V C 2.277 178.271 176.094 -0.167 0.000 1.053 738 V CA 2.264 64.404 62.300 -0.266 0.000 1.009 738 V CB -0.944 30.460 31.823 -0.698 0.000 0.636 738 V HN 0.581 nan 8.190 nan 0.000 0.445 739 I N -0.926 119.612 120.570 -0.054 0.000 2.335 739 I HA -0.232 3.936 4.170 -0.003 0.000 0.251 739 I C 2.201 178.329 176.117 0.018 0.000 1.129 739 I CA 1.973 63.306 61.300 0.055 0.000 1.402 739 I CB -0.730 37.416 38.000 0.243 0.000 1.069 739 I HN 0.332 nan 8.210 nan 0.000 0.424 740 E N 1.037 121.254 120.200 0.027 0.000 2.106 740 E HA -0.154 4.194 4.350 -0.003 0.000 0.192 740 E C 2.275 178.854 176.600 -0.036 0.000 0.984 740 E CA 1.606 58.015 56.400 0.015 0.000 0.806 740 E CB -0.222 29.494 29.700 0.027 0.000 0.750 740 E HN 0.591 nan 8.360 nan 0.000 0.458 741 M N 0.271 119.832 119.600 -0.066 0.000 2.175 741 M HA -0.136 4.342 4.480 -0.003 0.000 0.264 741 M C 2.235 178.457 176.300 -0.131 0.000 1.063 741 M CA 1.269 56.519 55.300 -0.083 0.000 1.119 741 M CB -0.204 32.345 32.600 -0.085 0.000 1.377 741 M HN 0.137 nan 8.290 nan 0.000 0.415 742 L N -0.365 120.725 121.223 -0.221 0.000 2.109 742 L HA -0.178 4.160 4.340 -0.003 0.000 0.207 742 L C 2.498 179.181 176.870 -0.311 0.000 1.086 742 L CA 1.169 55.777 54.840 -0.387 0.000 0.760 742 L CB -0.581 40.981 42.059 -0.828 0.000 0.910 742 L HN 0.360 nan 8.230 nan 0.000 0.437 743 Q N 0.034 119.722 119.800 -0.186 0.000 2.170 743 Q HA -0.206 4.132 4.340 -0.003 0.000 0.203 743 Q C 2.144 178.117 176.000 -0.045 0.000 0.976 743 Q CA 1.252 57.029 55.803 -0.044 0.000 0.858 743 Q CB 0.020 28.785 28.738 0.044 0.000 0.907 743 Q HN 0.435 nan 8.270 nan 0.000 0.433 744 K N -0.031 120.335 120.400 -0.057 0.000 2.001 744 K HA -0.171 4.147 4.320 -0.003 0.000 0.214 744 K C 2.068 178.641 176.600 -0.046 0.000 1.050 744 K CA 1.718 57.977 56.287 -0.046 0.000 0.934 744 K CB -0.256 32.218 32.500 -0.044 0.000 0.718 744 K HN 0.044 nan 8.250 nan 0.000 0.443 745 V N 1.391 121.267 119.914 -0.063 0.000 2.407 745 V HA -0.235 3.883 4.120 -0.003 0.000 0.248 745 V C 2.177 178.257 176.094 -0.023 0.000 1.055 745 V CA 2.113 64.384 62.300 -0.049 0.000 1.049 745 V CB -0.745 31.035 31.823 -0.071 0.000 0.662 745 V HN 0.425 nan 8.190 nan 0.000 0.455 746 T N 0.529 115.070 114.554 -0.021 0.000 2.746 746 T HA -0.106 4.242 4.350 -0.003 0.000 0.267 746 T C 1.854 176.584 174.700 0.049 0.000 1.039 746 T CA 1.537 63.662 62.100 0.041 0.000 1.142 746 T CB -0.257 68.669 68.868 0.097 0.000 0.866 746 T HN 0.313 nan 8.240 nan 0.000 0.444 747 L N 0.761 121.988 121.223 0.007 0.000 2.131 747 L HA 0.006 4.344 4.340 -0.003 0.000 0.206 747 L C 2.294 179.163 176.870 -0.003 0.000 1.087 747 L CA 0.970 55.800 54.840 -0.017 0.000 0.767 747 L CB -0.480 41.517 42.059 -0.104 0.000 0.917 747 L HN 0.073 nan 8.230 nan 0.000 0.441 748 D N 0.104 120.499 120.400 -0.008 0.000 2.218 748 D HA -0.170 4.468 4.640 -0.003 0.000 0.204 748 D C 2.078 178.382 176.300 0.006 0.000 0.976 748 D CA 1.207 55.205 54.000 -0.004 0.000 0.853 748 D CB -0.073 40.721 40.800 -0.010 0.000 0.939 748 D HN 0.194 nan 8.370 nan 0.000 0.481 749 I N 0.656 121.235 120.570 0.016 0.000 2.406 749 I HA -0.125 4.043 4.170 -0.003 0.000 0.249 749 I C 2.068 178.201 176.117 0.028 0.000 1.122 749 I CA 1.016 62.330 61.300 0.023 0.000 1.431 749 I CB -0.080 37.940 38.000 0.034 0.000 1.087 749 I HN -0.121 nan 8.210 nan 0.000 0.424 750 K N -0.096 120.330 120.400 0.043 0.000 2.097 750 K HA -0.082 4.235 4.320 -0.003 0.000 0.205 750 K C 2.176 178.791 176.600 0.025 0.000 1.050 750 K CA 1.527 57.843 56.287 0.049 0.000 0.938 750 K CB -0.181 32.379 32.500 0.100 0.000 0.718 750 K HN 0.221 nan 8.250 nan 0.000 0.442 751 S N 1.379 117.091 115.700 0.019 0.000 2.399 751 S HA -0.051 4.417 4.470 -0.003 0.000 0.231 751 S C 1.660 176.258 174.600 -0.004 0.000 1.022 751 S CA 0.920 59.125 58.200 0.008 0.000 0.983 751 S CB -0.065 63.138 63.200 0.005 0.000 0.803 751 S HN 0.218 nan 8.310 nan 0.000 0.480 752 L N 1.668 122.889 121.223 -0.004 0.000 2.592 752 L HA 0.196 4.534 4.340 -0.003 0.000 0.227 752 L C 0.754 177.610 176.870 -0.023 0.000 1.127 752 L CA -0.172 54.663 54.840 -0.009 0.000 0.884 752 L CB -0.120 41.938 42.059 -0.001 0.000 1.065 752 L HN 0.227 nan 8.230 nan 0.000 0.457 753 S N -0.604 115.073 115.700 -0.039 0.000 2.566 753 S HA 0.737 5.205 4.470 -0.003 0.000 0.298 753 S C 0.144 174.649 174.600 -0.158 0.000 1.083 753 S CA -0.647 57.505 58.200 -0.079 0.000 0.978 753 S CB 2.167 65.336 63.200 -0.052 0.000 1.073 753 S HN 0.083 nan 8.310 nan 0.000 0.491 754 A N 1.444 124.072 122.820 -0.321 0.000 2.632 754 A HA 0.063 4.381 4.320 -0.003 0.000 0.229 754 A C 1.367 178.754 177.584 -0.329 0.000 1.047 754 A CA 0.738 52.425 52.037 -0.583 0.000 0.754 754 A CB -0.644 17.437 19.000 -1.531 0.000 0.969 754 A HN 1.163 nan 8.150 nan 0.000 0.509 755 E N 0.566 120.615 120.200 -0.252 0.000 2.233 755 E HA -0.208 4.140 4.350 -0.003 0.000 0.199 755 E C 1.448 178.001 176.600 -0.079 0.000 1.004 755 E CA 2.445 58.779 56.400 -0.109 0.000 0.819 755 E CB 0.071 29.739 29.700 -0.053 0.000 0.738 755 E HN 0.676 nan 8.360 nan 0.000 0.478 756 K N -1.470 118.865 120.400 -0.108 0.000 2.929 756 K HA -0.023 4.295 4.320 -0.003 0.000 0.188 756 K C -0.542 176.053 176.600 -0.008 0.000 1.654 756 K CA 0.272 56.540 56.287 -0.032 0.000 1.349 756 K CB -0.047 32.469 32.500 0.026 0.000 1.879 756 K HN 0.138 nan 8.250 nan 0.000 0.626 757 Y N 3.958 124.269 120.300 0.019 0.000 2.745 757 Y HA 0.198 4.746 4.550 -0.003 0.000 0.335 757 Y C -0.495 175.415 175.900 0.016 0.000 1.212 757 Y CA -0.975 57.135 58.100 0.016 0.000 1.535 757 Y CB -0.697 37.771 38.460 0.014 0.000 1.220 757 Y HN 0.075 nan 8.280 nan 0.000 0.531 758 D N 1.787 122.312 120.400 0.208 0.000 3.719 758 D HA -0.186 4.452 4.640 -0.003 0.000 0.073 758 D C -0.364 176.013 176.300 0.129 0.000 0.961 758 D CA 0.736 54.826 54.000 0.151 0.000 0.547 758 D CB 0.268 41.154 40.800 0.142 0.000 0.865 758 D HN 0.603 nan 8.370 nan 0.000 0.378 759 V N 2.432 122.389 119.914 0.073 0.000 2.557 759 V HA 0.041 4.159 4.120 -0.003 0.000 0.301 759 V C 1.311 177.442 176.094 0.063 0.000 1.026 759 V CA 0.417 62.749 62.300 0.053 0.000 1.137 759 V CB 0.776 32.621 31.823 0.036 0.000 0.917 759 V HN 0.651 nan 8.190 nan 0.000 0.484 760 S N 3.629 119.366 115.700 0.061 0.000 2.624 760 S HA 0.165 4.633 4.470 -0.003 0.000 0.263 760 S C 1.523 176.146 174.600 0.038 0.000 1.287 760 S CA 0.019 58.255 58.200 0.060 0.000 0.990 760 S CB 1.329 64.568 63.200 0.064 0.000 0.950 760 S HN 1.062 nan 8.310 nan 0.000 0.561 761 S N 0.275 115.994 115.700 0.032 0.000 2.383 761 S HA -0.214 4.253 4.470 -0.003 0.000 0.227 761 S C 1.856 176.467 174.600 0.019 0.000 1.026 761 S CA 1.199 59.412 58.200 0.021 0.000 0.981 761 S CB -0.995 62.215 63.200 0.017 0.000 0.818 761 S HN 0.831 nan 8.310 nan 0.000 0.472 762 Q N 0.362 120.175 119.800 0.022 0.000 2.297 762 Q HA -0.074 4.264 4.340 -0.003 0.000 0.208 762 Q C 1.849 177.860 176.000 0.017 0.000 0.981 762 Q CA 1.450 57.264 55.803 0.019 0.000 0.876 762 Q CB -0.229 28.522 28.738 0.021 0.000 0.921 762 Q HN 0.603 nan 8.270 nan 0.000 0.446 763 V N 0.066 119.992 119.914 0.020 0.000 2.446 763 V HA -0.200 3.918 4.120 -0.003 0.000 0.244 763 V C 2.141 178.245 176.094 0.018 0.000 1.039 763 V CA 0.788 63.099 62.300 0.018 0.000 1.045 763 V CB -0.310 31.526 31.823 0.021 0.000 0.681 763 V HN 0.392 nan 8.190 nan 0.000 0.459 764 I N 0.369 120.949 120.570 0.017 0.000 2.208 764 I HA -0.219 3.949 4.170 -0.003 0.000 0.245 764 I C 2.704 178.827 176.117 0.011 0.000 1.097 764 I CA 1.935 63.243 61.300 0.014 0.000 1.363 764 I CB -1.085 36.921 38.000 0.010 0.000 1.051 764 I HN 0.384 nan 8.210 nan 0.000 0.413 765 S N -0.016 115.690 115.700 0.010 0.000 2.354 765 S HA -0.243 4.225 4.470 -0.003 0.000 0.219 765 S C 1.998 176.603 174.600 0.007 0.000 1.035 765 S CA 1.416 59.620 58.200 0.008 0.000 1.037 765 S CB -0.140 63.065 63.200 0.008 0.000 0.956 765 S HN 0.387 nan 8.310 nan 0.000 0.428 766 Q N 0.666 120.471 119.800 0.008 0.000 2.062 766 Q HA -0.134 4.204 4.340 -0.003 0.000 0.209 766 Q C 2.240 178.243 176.000 0.005 0.000 0.996 766 Q CA 1.555 57.362 55.803 0.006 0.000 0.859 766 Q CB -0.959 27.783 28.738 0.007 0.000 0.920 766 Q HN 0.543 nan 8.270 nan 0.000 0.415 767 L N 1.032 122.261 121.223 0.009 0.000 1.989 767 L HA -0.235 4.103 4.340 -0.003 0.000 0.211 767 L C 2.155 179.027 176.870 0.004 0.000 1.071 767 L CA 1.921 56.767 54.840 0.010 0.000 0.749 767 L CB -0.537 41.536 42.059 0.023 0.000 0.890 767 L HN 0.235 nan 8.230 nan 0.000 0.431 768 K N -0.560 119.844 120.400 0.005 0.000 2.032 768 K HA -0.264 4.054 4.320 -0.003 0.000 0.209 768 K C 2.080 178.677 176.600 -0.004 0.000 1.048 768 K CA 1.868 58.155 56.287 -0.000 0.000 0.927 768 K CB -0.124 32.378 32.500 0.002 0.000 0.712 768 K HN 0.436 nan 8.250 nan 0.000 0.441 769 Q N 0.927 120.726 119.800 -0.002 0.000 2.030 769 Q HA -0.205 4.133 4.340 -0.003 0.000 0.204 769 Q C 2.079 178.075 176.000 -0.007 0.000 0.986 769 Q CA 1.785 57.586 55.803 -0.003 0.000 0.843 769 Q CB 0.047 28.785 28.738 -0.001 0.000 0.904 769 Q HN 0.122 nan 8.270 nan 0.000 0.420 770 K N -0.071 120.324 120.400 -0.008 0.000 2.148 770 K HA -0.122 4.196 4.320 -0.003 0.000 0.204 770 K C 2.002 178.591 176.600 -0.019 0.000 1.050 770 K CA 0.756 57.035 56.287 -0.012 0.000 0.942 770 K CB 0.014 32.506 32.500 -0.013 0.000 0.724 770 K HN 0.214 nan 8.250 nan 0.000 0.446 771 L N 0.594 121.804 121.223 -0.022 0.000 2.056 771 L HA -0.151 4.187 4.340 -0.003 0.000 0.207 771 L C 2.541 179.395 176.870 -0.028 0.000 1.078 771 L CA 1.347 56.167 54.840 -0.033 0.000 0.749 771 L CB -0.367 41.668 42.059 -0.040 0.000 0.901 771 L HN 0.304 nan 8.230 nan 0.000 0.433 772 E N 0.567 120.756 120.200 -0.019 0.000 2.085 772 E HA -0.297 4.051 4.350 -0.003 0.000 0.194 772 E C 1.870 178.464 176.600 -0.009 0.000 0.994 772 E CA 1.559 57.951 56.400 -0.013 0.000 0.801 772 E CB -0.097 29.598 29.700 -0.008 0.000 0.743 772 E HN 0.481 nan 8.360 nan 0.000 0.453 773 N N -0.670 118.024 118.700 -0.010 0.000 2.443 773 N HA -0.112 4.626 4.740 -0.003 0.000 0.184 773 N C 1.654 177.158 175.510 -0.009 0.000 1.037 773 N CA 0.318 53.364 53.050 -0.008 0.000 0.896 773 N CB 0.153 38.635 38.487 -0.009 0.000 0.959 773 N HN 0.204 nan 8.380 nan 0.000 0.442 774 L N -0.639 120.576 121.223 -0.014 0.000 2.286 774 L HA 0.048 4.386 4.340 -0.003 0.000 0.203 774 L C 2.300 179.167 176.870 -0.004 0.000 1.068 774 L CA 0.198 55.029 54.840 -0.014 0.000 0.811 774 L CB -0.435 41.608 42.059 -0.027 0.000 0.989 774 L HN 0.115 nan 8.230 nan 0.000 0.467 775 Q N 1.122 120.919 119.800 -0.005 0.000 2.217 775 Q HA -0.258 4.080 4.340 -0.003 0.000 0.209 775 Q C 1.736 177.746 176.000 0.016 0.000 0.988 775 Q CA 2.053 57.859 55.803 0.006 0.000 0.878 775 Q CB -0.171 28.564 28.738 -0.004 0.000 0.909 775 Q HN 0.394 nan 8.270 nan 0.000 0.424 776 N N -1.138 117.568 118.700 0.010 0.000 2.093 776 N HA -0.018 4.720 4.740 -0.003 0.000 0.191 776 N C -0.009 175.511 175.510 0.017 0.000 1.062 776 N CA 1.738 54.796 53.050 0.013 0.000 0.854 776 N CB -0.075 38.417 38.487 0.009 0.000 1.043 776 N HN 0.097 nan 8.380 nan 0.000 0.438 777 S N -0.147 115.560 115.700 0.012 0.000 2.499 777 S HA 0.370 4.838 4.470 -0.003 0.000 0.238 777 S C 0.069 174.675 174.600 0.011 0.000 1.205 777 S CA -0.619 57.590 58.200 0.014 0.000 1.203 777 S CB 1.064 64.271 63.200 0.011 0.000 0.954 777 S HN 0.283 nan 8.310 nan 0.000 0.484 778 Q N 0.237 120.043 119.800 0.010 0.000 1.914 778 Q HA 0.301 4.639 4.340 -0.003 0.000 0.153 778 Q C 0.302 176.304 176.000 0.004 0.000 0.517 778 Q CA -0.290 55.514 55.803 0.003 0.000 0.790 778 Q CB -0.099 28.635 28.738 -0.007 0.000 0.992 778 Q HN 0.460 nan 8.270 nan 0.000 0.318 779 L N 5.564 126.789 121.223 0.004 0.000 2.737 779 L HA -0.039 4.299 4.340 -0.003 0.000 0.279 779 L C -2.053 174.843 176.870 0.044 0.000 1.200 779 L CA -0.694 54.154 54.840 0.013 0.000 0.952 779 L CB 0.280 42.366 42.059 0.045 0.000 1.240 779 L HN 0.035 nan 8.230 nan 0.000 0.486 780 P HA -0.014 nan 4.420 nan 0.000 0.268 780 P C 0.441 177.822 177.300 0.135 0.000 1.208 780 P CA -0.267 62.877 63.100 0.074 0.000 0.777 780 P CB 0.493 32.229 31.700 0.061 0.000 0.875 781 E N 0.139 120.410 120.200 0.119 0.000 2.068 781 E HA -0.132 4.216 4.350 -0.003 0.000 0.207 781 E C 0.365 177.065 176.600 0.168 0.000 1.032 781 E CA 1.735 58.208 56.400 0.122 0.000 0.839 781 E CB -0.380 29.375 29.700 0.091 0.000 0.758 781 E HN 0.469 nan 8.360 nan 0.000 0.457 782 S N -1.177 114.632 115.700 0.181 0.000 2.806 782 S HA 0.711 5.179 4.470 -0.003 0.000 0.306 782 S C -0.714 174.068 174.600 0.304 0.000 1.167 782 S CA -0.751 57.554 58.200 0.174 0.000 0.847 782 S CB 1.939 65.162 63.200 0.038 0.000 1.216 782 S HN 0.257 nan 8.310 nan 0.000 0.532 783 F N -1.432 118.487 119.950 -0.052 0.000 2.714 783 F HA 0.516 5.041 4.527 -0.004 0.000 0.313 783 F C -1.226 174.493 175.800 -0.135 0.000 1.104 783 F CA -1.169 56.783 58.000 -0.081 0.000 1.005 783 F CB 0.679 39.640 39.000 -0.064 0.000 1.268 783 F HN 0.397 nan 8.300 nan 0.000 0.449 784 R N 2.019 122.454 120.500 -0.107 0.000 2.537 784 R HA 0.475 4.813 4.340 -0.003 0.000 0.280 784 R C -0.782 175.379 176.300 -0.232 0.000 1.058 784 R CA -0.749 55.211 56.100 -0.234 0.000 1.057 784 R CB 1.338 31.524 30.300 -0.189 0.000 0.973 784 R HN 0.584 nan 8.270 nan 0.000 0.438 785 V N 6.528 126.186 119.914 -0.427 0.000 2.446 785 V HA 0.017 4.135 4.120 -0.003 0.000 0.276 785 V C -1.392 174.433 176.094 -0.448 0.000 1.030 785 V CA -1.045 60.939 62.300 -0.527 0.000 1.033 785 V CB 1.081 32.468 31.823 -0.727 0.000 0.993 785 V HN 0.649 nan 8.190 nan 0.000 0.477 786 P HA -0.156 nan 4.420 nan 0.000 0.219 786 P C 0.963 178.190 177.300 -0.121 0.000 1.146 786 P CA 1.409 64.350 63.100 -0.264 0.000 0.808 786 P CB -0.026 31.202 31.700 -0.787 0.000 0.779 787 Y N -2.779 117.506 120.300 -0.024 0.000 2.466 787 Y HA 0.431 4.979 4.550 -0.003 0.000 0.272 787 Y C 0.051 176.049 175.900 0.164 0.000 1.169 787 Y CA -0.696 57.487 58.100 0.139 0.000 1.285 787 Y CB -0.528 37.972 38.460 0.067 0.000 1.078 787 Y HN -0.183 nan 8.280 nan 0.000 0.523 788 D N 1.168 121.533 120.400 -0.060 0.000 2.752 788 D HA 0.158 4.796 4.640 -0.003 0.000 0.242 788 D C -2.511 173.617 176.300 -0.287 0.000 1.295 788 D CA -1.819 52.153 54.000 -0.046 0.000 0.846 788 D CB 1.254 42.072 40.800 0.030 0.000 1.454 788 D HN -0.038 nan 8.370 nan 0.000 0.535 789 P HA 0.034 nan 4.420 nan 0.000 0.230 789 P C 1.385 178.424 177.300 -0.436 0.000 1.158 789 P CA 0.429 63.113 63.100 -0.692 0.000 0.769 789 P CB 0.305 31.236 31.700 -1.282 0.000 0.807 790 G N 0.251 108.874 108.800 -0.294 0.000 2.422 790 G HA2 -0.100 3.858 3.960 -0.003 0.000 0.218 790 G HA3 -0.100 3.858 3.960 -0.003 0.000 0.218 790 G C 0.699 175.461 174.900 -0.229 0.000 1.140 790 G CA 0.064 45.038 45.100 -0.210 0.000 0.775 790 G HN 0.249 nan 8.290 nan 0.000 0.545 791 L N 1.013 122.089 121.223 -0.246 0.000 2.290 791 L HA 0.325 4.663 4.340 -0.003 0.000 0.284 791 L C -0.143 176.538 176.870 -0.314 0.000 1.078 791 L CA -0.299 54.392 54.840 -0.247 0.000 0.815 791 L CB 1.391 43.318 42.059 -0.219 0.000 1.162 791 L HN -0.033 nan 8.230 nan 0.000 0.435 792 K N 4.042 124.271 120.400 -0.286 0.000 2.389 792 K HA 0.485 4.803 4.320 -0.003 0.000 0.261 792 K C -0.425 175.952 176.600 -0.371 0.000 1.014 792 K CA -0.516 55.571 56.287 -0.333 0.000 0.920 792 K CB 1.726 34.095 32.500 -0.219 0.000 1.149 792 K HN 0.629 nan 8.250 nan 0.000 0.444 793 A N 2.667 125.093 122.820 -0.655 0.000 2.440 793 A HA 0.466 4.784 4.320 -0.003 0.000 0.251 793 A C 0.708 178.111 177.584 -0.302 0.000 1.089 793 A CA 0.080 51.757 52.037 -0.600 0.000 0.779 793 A CB 0.598 18.863 19.000 -1.226 0.000 1.022 793 A HN 0.851 nan 8.150 nan 0.000 0.492 794 G N 0.477 109.274 108.800 -0.005 0.000 3.411 794 G HA2 0.549 4.507 3.960 -0.003 0.000 0.186 794 G HA3 0.549 4.507 3.960 -0.003 0.000 0.186 794 G C 0.465 175.527 174.900 0.271 0.000 1.766 794 G CA 0.268 45.432 45.100 0.107 0.000 0.971 794 G HN 1.386 nan 8.290 nan 0.000 0.590 795 A N -0.931 122.009 122.820 0.200 0.000 2.293 795 A HA 0.678 4.996 4.320 -0.003 0.000 0.302 795 A C 0.095 177.751 177.584 0.119 0.000 1.119 795 A CA -0.539 51.604 52.037 0.176 0.000 0.823 795 A CB 0.415 19.471 19.000 0.095 0.000 1.097 795 A HN 0.491 nan 8.150 nan 0.000 0.491 796 L N 0.575 121.784 121.223 -0.023 0.000 2.483 796 L HA 0.259 4.597 4.340 -0.003 0.000 0.275 796 L C 0.975 177.776 176.870 -0.115 0.000 1.220 796 L CA 0.070 54.752 54.840 -0.263 0.000 0.833 796 L CB 0.691 42.560 42.059 -0.315 0.000 1.102 796 L HN 0.775 nan 8.230 nan 0.000 0.490 797 A N 3.026 125.773 122.820 -0.122 0.000 3.079 797 A HA 0.374 4.692 4.320 -0.003 0.000 0.315 797 A C 0.947 178.513 177.584 -0.031 0.000 1.334 797 A CA -0.492 51.524 52.037 -0.034 0.000 1.048 797 A CB -0.321 18.687 19.000 0.013 0.000 1.156 797 A HN 0.701 nan 8.150 nan 0.000 0.523 798 I N 0.486 121.033 120.570 -0.039 0.000 2.185 798 I HA -0.315 3.853 4.170 -0.003 0.000 0.246 798 I C 2.195 178.311 176.117 -0.002 0.000 1.088 798 I CA 1.837 63.120 61.300 -0.028 0.000 1.347 798 I CB -0.443 37.544 38.000 -0.023 0.000 1.041 798 I HN 0.573 nan 8.210 nan 0.000 0.415 799 E N 0.705 120.908 120.200 0.004 0.000 2.114 799 E HA -0.247 4.101 4.350 -0.003 0.000 0.199 799 E C 1.793 178.405 176.600 0.019 0.000 1.008 799 E CA 1.520 57.926 56.400 0.010 0.000 0.810 799 E CB -0.245 29.462 29.700 0.012 0.000 0.739 799 E HN 0.486 nan 8.360 nan 0.000 0.456 800 K N -0.548 119.875 120.400 0.039 0.000 2.417 800 K HA 0.159 4.477 4.320 -0.003 0.000 0.196 800 K C -0.383 176.290 176.600 0.122 0.000 1.023 800 K CA -0.218 56.112 56.287 0.071 0.000 1.122 800 K CB 0.315 32.883 32.500 0.114 0.000 0.850 800 K HN 0.088 nan 8.250 nan 0.000 0.521 801 C N 2.512 121.868 119.300 0.093 0.000 2.364 801 C HA 0.457 4.915 4.460 -0.003 0.000 0.356 801 C C 0.149 175.197 174.990 0.097 0.000 1.201 801 C CA -0.850 58.252 59.018 0.140 0.000 2.227 801 C CB 0.545 28.328 27.740 0.070 0.000 2.387 801 C HN 0.436 nan 8.230 nan 0.000 0.546 802 K N 0.361 120.849 120.400 0.147 0.000 2.556 802 K HA 0.652 4.970 4.320 -0.003 0.000 0.289 802 K C -2.047 174.631 176.600 0.130 0.000 1.040 802 K CA -0.500 55.838 56.287 0.086 0.000 0.894 802 K CB 0.824 33.322 32.500 -0.004 0.000 1.547 802 K HN 0.299 nan 8.250 nan 0.000 0.417 803 V N 1.947 121.914 119.914 0.087 0.000 2.435 803 V HA 0.351 4.469 4.120 -0.003 0.000 0.290 803 V C 0.257 176.404 176.094 0.088 0.000 1.030 803 V CA -0.814 61.545 62.300 0.099 0.000 0.881 803 V CB 1.346 33.210 31.823 0.068 0.000 0.983 803 V HN 0.628 nan 8.190 nan 0.000 0.445 804 M N 3.663 123.334 119.600 0.120 0.000 2.217 804 M HA 0.366 4.844 4.480 -0.003 0.000 0.354 804 M C 0.599 176.937 176.300 0.063 0.000 1.225 804 M CA -0.217 55.143 55.300 0.100 0.000 1.137 804 M CB 1.189 33.881 32.600 0.153 0.000 1.576 804 M HN 0.711 nan 8.290 nan 0.000 0.461 805 A N 2.812 125.655 122.820 0.038 0.000 3.037 805 A HA 0.245 4.563 4.320 -0.003 0.000 0.272 805 A C 0.908 178.512 177.584 0.033 0.000 1.723 805 A CA 0.049 52.106 52.037 0.033 0.000 1.413 805 A CB -0.406 18.608 19.000 0.022 0.000 1.112 805 A HN 0.951 nan 8.150 nan 0.000 0.606 806 S N 1.546 117.268 115.700 0.037 0.000 2.650 806 S HA 0.224 4.692 4.470 -0.003 0.000 0.182 806 S C 1.386 176.000 174.600 0.024 0.000 0.832 806 S CA 1.109 59.326 58.200 0.028 0.000 0.860 806 S CB 0.023 63.241 63.200 0.031 0.000 0.818 806 S HN 0.836 nan 8.310 nan 0.000 0.600 807 K N -1.201 119.211 120.400 0.021 0.000 1.730 807 K HA 0.095 4.413 4.320 -0.003 0.000 0.106 807 K C -0.364 176.241 176.600 0.008 0.000 2.380 807 K CA -0.298 55.997 56.287 0.013 0.000 1.129 807 K CB -0.468 32.037 32.500 0.008 0.000 2.650 807 K HN 0.310 nan 8.250 nan 0.000 0.393 808 K N 1.551 121.958 120.400 0.011 0.000 2.127 808 K HA 0.369 4.687 4.320 -0.003 0.000 0.240 808 K C -0.383 176.243 176.600 0.043 0.000 1.024 808 K CA -0.782 55.518 56.287 0.021 0.000 0.918 808 K CB 0.585 33.087 32.500 0.003 0.000 1.108 808 K HN -0.101 nan 8.250 nan 0.000 0.485 809 K N 2.032 122.473 120.400 0.067 0.000 2.679 809 K HA 0.290 4.608 4.320 -0.003 0.000 0.188 809 K C -2.572 174.094 176.600 0.111 0.000 1.055 809 K CA -1.972 54.362 56.287 0.078 0.000 1.006 809 K CB 0.857 33.395 32.500 0.064 0.000 1.317 809 K HN 0.452 nan 8.250 nan 0.000 0.584 810 P HA 0.201 nan 4.420 nan 0.000 0.274 810 P C -0.152 177.262 177.300 0.191 0.000 1.237 810 P CA -0.425 62.770 63.100 0.158 0.000 0.793 810 P CB 1.143 32.921 31.700 0.130 0.000 0.977 811 L N 1.424 122.792 121.223 0.243 0.000 2.309 811 L HA 0.369 4.707 4.340 -0.003 0.000 0.282 811 L C 0.245 177.307 176.870 0.320 0.000 1.036 811 L CA -0.583 54.415 54.840 0.263 0.000 0.806 811 L CB 1.291 43.495 42.059 0.243 0.000 1.220 811 L HN 0.467 nan 8.230 nan 0.000 0.429 812 W N 6.520 127.896 121.300 0.127 0.000 2.288 812 W HA 0.458 5.116 4.660 -0.003 0.000 0.325 812 W C -1.716 174.879 176.519 0.128 0.000 1.019 812 W CA -0.600 56.818 57.345 0.122 0.000 1.403 812 W CB 0.713 30.219 29.460 0.077 0.000 1.226 812 W HN 0.363 nan 8.180 nan 0.000 0.391 813 L N 5.334 126.688 121.223 0.219 0.000 2.330 813 L HA 0.549 4.887 4.340 -0.003 0.000 0.271 813 L C -0.045 176.933 176.870 0.180 0.000 1.013 813 L CA -0.806 54.163 54.840 0.214 0.000 0.816 813 L CB 2.132 44.364 42.059 0.287 0.000 1.287 813 L HN 0.254 nan 8.230 nan 0.000 0.435 814 E N 1.649 121.912 120.200 0.105 0.000 2.331 814 E HA 0.557 4.905 4.350 -0.003 0.000 0.275 814 E C -1.726 174.882 176.600 0.015 0.000 0.895 814 E CA -0.600 55.911 56.400 0.186 0.000 0.753 814 E CB 2.784 32.616 29.700 0.220 0.000 1.216 814 E HN 0.191 nan 8.360 nan 0.000 0.434 815 F N 0.949 120.961 119.950 0.102 0.000 2.561 815 F HA 0.416 4.941 4.527 -0.004 0.000 0.321 815 F C 0.555 176.384 175.800 0.047 0.000 1.065 815 F CA -0.968 57.083 58.000 0.085 0.000 0.934 815 F CB 1.391 40.437 39.000 0.077 0.000 1.215 815 F HN 0.081 nan 8.300 nan 0.000 0.471 816 K N 0.502 121.029 120.400 0.211 0.000 2.202 816 K HA 0.319 4.637 4.320 -0.003 0.000 0.264 816 K C -0.661 175.999 176.600 0.100 0.000 1.010 816 K CA -0.504 55.857 56.287 0.124 0.000 0.940 816 K CB 1.035 33.585 32.500 0.084 0.000 0.983 816 K HN 0.693 nan 8.250 nan 0.000 0.475 817 C N 2.383 121.709 119.300 0.043 0.000 2.394 817 C HA 0.342 4.800 4.460 -0.003 0.000 0.362 817 C C 1.516 176.492 174.990 -0.023 0.000 1.268 817 C CA -0.446 58.564 59.018 -0.015 0.000 1.828 817 C CB -0.966 26.761 27.740 -0.022 0.000 2.442 817 C HN 0.879 nan 8.230 nan 0.000 0.549 818 A N 3.841 126.629 122.820 -0.054 0.000 2.248 818 A HA 0.066 4.384 4.320 -0.003 0.000 0.210 818 A C 0.703 178.260 177.584 -0.044 0.000 1.174 818 A CA 0.817 52.831 52.037 -0.038 0.000 0.750 818 A CB -0.358 18.611 19.000 -0.052 0.000 0.780 818 A HN 0.919 nan 8.150 nan 0.000 0.478 819 D N -0.414 119.951 120.400 -0.059 0.000 2.317 819 D HA 0.318 4.956 4.640 -0.003 0.000 0.234 819 D C -1.400 174.873 176.300 -0.045 0.000 1.112 819 D CA -2.108 51.854 54.000 -0.063 0.000 0.840 819 D CB 1.475 42.218 40.800 -0.095 0.000 1.078 819 D HN 0.053 nan 8.370 nan 0.000 0.486 820 P HA -0.076 nan 4.420 nan 0.000 0.227 820 P C 1.026 178.312 177.300 -0.024 0.000 1.161 820 P CA 0.753 63.842 63.100 -0.018 0.000 0.788 820 P CB 0.063 31.759 31.700 -0.007 0.000 0.822 821 T N -2.026 112.503 114.554 -0.041 0.000 2.962 821 T HA 0.110 4.458 4.350 -0.003 0.000 0.270 821 T C 1.221 175.875 174.700 -0.076 0.000 1.088 821 T CA 0.377 62.444 62.100 -0.054 0.000 1.127 821 T CB -0.994 67.828 68.868 -0.076 0.000 0.883 821 T HN 0.137 nan 8.240 nan 0.000 0.493 822 A N 1.554 124.330 122.820 -0.073 0.000 2.515 822 A HA 0.418 4.736 4.320 -0.003 0.000 0.263 822 A C 0.567 178.116 177.584 -0.058 0.000 1.096 822 A CA -0.360 51.633 52.037 -0.074 0.000 0.769 822 A CB -0.472 18.492 19.000 -0.060 0.000 1.040 822 A HN 0.476 nan 8.150 nan 0.000 0.505 823 L N 3.316 124.489 121.223 -0.084 0.000 2.803 823 L HA 0.205 4.543 4.340 -0.003 0.000 0.241 823 L C 0.838 177.677 176.870 -0.052 0.000 1.404 823 L CA 0.891 55.687 54.840 -0.074 0.000 1.211 823 L CB -0.900 41.075 42.059 -0.139 0.000 1.585 823 L HN 0.718 nan 8.230 nan 0.000 0.430 824 S N -0.814 114.871 115.700 -0.024 0.000 2.611 824 S HA 0.396 4.864 4.470 -0.003 0.000 0.268 824 S C 0.089 174.694 174.600 0.009 0.000 1.156 824 S CA -0.689 57.508 58.200 -0.005 0.000 0.817 824 S CB 0.902 64.102 63.200 0.001 0.000 1.122 824 S HN 0.477 nan 8.310 nan 0.000 0.466 825 N N 0.259 118.972 118.700 0.021 0.000 2.181 825 N HA 0.184 4.922 4.740 -0.003 0.000 0.207 825 N C -0.617 174.919 175.510 0.043 0.000 1.182 825 N CA -0.392 52.676 53.050 0.030 0.000 0.893 825 N CB 0.565 39.069 38.487 0.030 0.000 1.032 825 N HN 0.504 nan 8.380 nan 0.000 0.513 826 E N 2.455 122.683 120.200 0.047 0.000 2.465 826 E HA -0.022 4.326 4.350 -0.003 0.000 0.260 826 E C 0.389 177.033 176.600 0.073 0.000 0.980 826 E CA 0.301 56.740 56.400 0.065 0.000 0.927 826 E CB 0.596 30.336 29.700 0.066 0.000 0.934 826 E HN 0.256 nan 8.360 nan 0.000 0.459 827 T N 0.189 114.800 114.554 0.096 0.000 2.754 827 T HA 0.315 4.663 4.350 -0.003 0.000 0.286 827 T C 0.593 175.365 174.700 0.121 0.000 0.997 827 T CA -0.599 61.571 62.100 0.116 0.000 0.982 827 T CB 0.525 69.479 68.868 0.143 0.000 1.027 827 T HN 0.299 nan 8.240 nan 0.000 0.529 828 I N 1.640 122.299 120.570 0.148 0.000 2.307 828 I HA 0.364 4.532 4.170 -0.003 0.000 0.287 828 I C 1.138 177.382 176.117 0.212 0.000 1.054 828 I CA -0.704 60.676 61.300 0.134 0.000 1.218 828 I CB 0.358 38.386 38.000 0.047 0.000 1.398 828 I HN 0.881 nan 8.210 nan 0.000 0.475 829 G N 7.290 116.171 108.800 0.136 0.000 2.432 829 G HA2 0.667 4.625 3.960 -0.003 0.000 0.257 829 G HA3 0.667 4.625 3.960 -0.003 0.000 0.257 829 G C -0.545 174.378 174.900 0.040 0.000 1.238 829 G CA -0.213 44.915 45.100 0.046 0.000 0.838 829 G HN 0.539 nan 8.290 nan 0.000 0.547 830 I N 1.136 121.731 120.570 0.042 0.000 2.656 830 I HA 0.335 4.503 4.170 -0.003 0.000 0.292 830 I C -0.529 175.561 176.117 -0.045 0.000 1.144 830 I CA -0.674 60.660 61.300 0.058 0.000 1.038 830 I CB 2.549 40.703 38.000 0.258 0.000 1.244 830 I HN 0.255 nan 8.210 nan 0.000 0.420 831 I N 4.421 124.894 120.570 -0.162 0.000 2.437 831 I HA 0.388 4.556 4.170 -0.003 0.000 0.298 831 I C -1.148 174.883 176.117 -0.143 0.000 0.984 831 I CA -0.444 60.800 61.300 -0.093 0.000 1.214 831 I CB 1.457 39.371 38.000 -0.144 0.000 1.365 831 I HN 0.330 nan 8.210 nan 0.000 0.469 832 F N 5.155 125.145 119.950 0.067 0.000 2.445 832 F HA 0.429 4.954 4.527 -0.004 0.000 0.348 832 F C 0.037 175.889 175.800 0.087 0.000 1.125 832 F CA -0.587 57.464 58.000 0.084 0.000 0.983 832 F CB 1.402 40.461 39.000 0.098 0.000 1.198 832 F HN 0.259 nan 8.300 nan 0.000 0.436 833 K N 2.902 123.407 120.400 0.176 0.000 2.345 833 K HA 0.393 4.711 4.320 -0.003 0.000 0.255 833 K C -1.552 175.164 176.600 0.193 0.000 0.934 833 K CA -0.804 55.573 56.287 0.150 0.000 0.801 833 K CB 1.081 33.618 32.500 0.063 0.000 1.137 833 K HN 0.695 nan 8.250 nan 0.000 0.424 834 H N 1.893 121.026 119.070 0.105 0.000 2.466 834 H HA 0.504 5.058 4.556 -0.003 0.000 0.338 834 H C 0.521 175.886 175.328 0.063 0.000 1.091 834 H CA 0.821 56.919 56.048 0.084 0.000 1.207 834 H CB 1.774 31.586 29.762 0.083 0.000 1.466 834 H HN 0.775 nan 8.280 nan 0.000 0.493 835 G N 3.908 112.318 108.800 -0.650 0.000 2.380 835 G HA2 -0.188 3.769 3.960 -0.003 0.000 0.197 835 G HA3 -0.188 3.769 3.960 -0.003 0.000 0.197 835 G C -0.523 174.260 174.900 -0.195 0.000 1.001 835 G CA -0.047 44.728 45.100 -0.541 0.000 0.668 835 G HN 0.652 nan 8.290 nan 0.000 0.483 836 D N 0.976 121.313 120.400 -0.104 0.000 2.168 836 D HA 0.503 5.141 4.640 -0.003 0.000 0.246 836 D C -0.709 175.581 176.300 -0.016 0.000 1.050 836 D CA -0.289 53.688 54.000 -0.040 0.000 0.857 836 D CB 1.673 42.462 40.800 -0.019 0.000 1.169 836 D HN 0.136 nan 8.370 nan 0.000 0.453 837 D N 2.584 122.976 120.400 -0.013 0.000 2.435 837 D HA 0.014 4.652 4.640 -0.003 0.000 0.230 837 D C 0.683 176.969 176.300 -0.023 0.000 1.215 837 D CA -0.331 53.662 54.000 -0.011 0.000 0.947 837 D CB 0.295 41.081 40.800 -0.022 0.000 1.048 837 D HN 0.039 nan 8.370 nan 0.000 0.512 838 L N 3.348 124.568 121.223 -0.005 0.000 2.362 838 L HA 0.046 4.383 4.340 -0.003 0.000 0.219 838 L C 2.161 179.014 176.870 -0.028 0.000 1.134 838 L CA 0.932 55.770 54.840 -0.003 0.000 0.807 838 L CB -0.684 41.380 42.059 0.008 0.000 0.927 838 L HN 0.457 nan 8.230 nan 0.000 0.447 839 R N -0.810 119.661 120.500 -0.048 0.000 2.105 839 R HA -0.199 4.139 4.340 -0.003 0.000 0.239 839 R C 2.133 178.373 176.300 -0.101 0.000 1.135 839 R CA 1.300 57.348 56.100 -0.087 0.000 0.967 839 R CB -0.224 30.023 30.300 -0.089 0.000 0.861 839 R HN 0.519 nan 8.270 nan 0.000 0.442 840 Q N 0.488 120.231 119.800 -0.094 0.000 2.050 840 Q HA -0.192 4.146 4.340 -0.003 0.000 0.202 840 Q C 1.545 177.517 176.000 -0.046 0.000 0.980 840 Q CA 1.987 57.729 55.803 -0.102 0.000 0.840 840 Q CB -0.114 28.524 28.738 -0.166 0.000 0.898 840 Q HN 0.386 nan 8.270 nan 0.000 0.424 841 D N 0.237 120.641 120.400 0.008 0.000 2.104 841 D HA -0.186 4.452 4.640 -0.003 0.000 0.194 841 D C 1.864 178.156 176.300 -0.015 0.000 0.994 841 D CA 1.364 55.418 54.000 0.090 0.000 0.830 841 D CB -0.031 40.855 40.800 0.143 0.000 0.959 841 D HN 0.178 nan 8.370 nan 0.000 0.452 842 M N -0.175 119.383 119.600 -0.069 0.000 2.073 842 M HA -0.174 4.304 4.480 -0.003 0.000 0.258 842 M C 1.868 178.064 176.300 -0.174 0.000 1.070 842 M CA 0.947 56.164 55.300 -0.137 0.000 1.103 842 M CB -0.324 32.162 32.600 -0.190 0.000 1.321 842 M HN 0.103 nan 8.290 nan 0.000 0.405 843 L N 0.577 121.701 121.223 -0.165 0.000 2.013 843 L HA -0.245 4.093 4.340 -0.003 0.000 0.212 843 L C 2.368 179.152 176.870 -0.143 0.000 1.073 843 L CA 1.845 56.593 54.840 -0.153 0.000 0.753 843 L CB -1.154 40.828 42.059 -0.128 0.000 0.890 843 L HN 0.293 nan 8.230 nan 0.000 0.432 844 I N -1.464 119.016 120.570 -0.151 0.000 2.163 844 I HA -0.233 3.935 4.170 -0.003 0.000 0.240 844 I C 2.434 178.367 176.117 -0.306 0.000 1.081 844 I CA 0.750 61.911 61.300 -0.232 0.000 1.353 844 I CB -1.191 36.609 38.000 -0.333 0.000 1.054 844 I HN 0.169 nan 8.210 nan 0.000 0.407 845 L N 0.628 121.676 121.223 -0.292 0.000 2.089 845 L HA -0.250 4.088 4.340 -0.003 0.000 0.213 845 L C 2.600 179.337 176.870 -0.222 0.000 1.079 845 L CA 1.835 56.506 54.840 -0.282 0.000 0.758 845 L CB -1.586 40.307 42.059 -0.276 0.000 0.891 845 L HN 0.370 nan 8.230 nan 0.000 0.433 846 Q N -0.298 119.385 119.800 -0.195 0.000 2.123 846 Q HA -0.078 4.260 4.340 -0.003 0.000 0.199 846 Q C 2.236 178.141 176.000 -0.159 0.000 0.966 846 Q CA 1.245 56.947 55.803 -0.169 0.000 0.845 846 Q CB -0.103 28.536 28.738 -0.165 0.000 0.907 846 Q HN 0.504 nan 8.270 nan 0.000 0.439 847 I N -0.260 120.217 120.570 -0.154 0.000 2.286 847 I HA -0.257 3.911 4.170 -0.003 0.000 0.248 847 I C 1.824 177.824 176.117 -0.195 0.000 1.115 847 I CA 0.505 61.719 61.300 -0.143 0.000 1.392 847 I CB -0.225 37.715 38.000 -0.100 0.000 1.065 847 I HN 0.226 nan 8.210 nan 0.000 0.418 848 L N 0.694 121.791 121.223 -0.210 0.000 2.043 848 L HA -0.246 4.092 4.340 -0.003 0.000 0.212 848 L C 2.703 179.451 176.870 -0.204 0.000 1.075 848 L CA 1.879 56.587 54.840 -0.220 0.000 0.752 848 L CB -0.550 41.385 42.059 -0.206 0.000 0.891 848 L HN 0.141 nan 8.230 nan 0.000 0.432 849 R N -0.892 119.510 120.500 -0.162 0.000 2.075 849 R HA -0.114 4.224 4.340 -0.003 0.000 0.232 849 R C 2.301 178.526 176.300 -0.126 0.000 1.126 849 R CA 1.599 57.636 56.100 -0.105 0.000 0.963 849 R CB -0.627 29.630 30.300 -0.071 0.000 0.858 849 R HN 0.359 nan 8.270 nan 0.000 0.435 850 I N 1.178 121.636 120.570 -0.187 0.000 2.118 850 I HA -0.348 3.820 4.170 -0.003 0.000 0.241 850 I C 2.625 178.504 176.117 -0.397 0.000 1.070 850 I CA 1.610 62.735 61.300 -0.291 0.000 1.327 850 I CB -0.223 37.622 38.000 -0.260 0.000 1.034 850 I HN 0.156 nan 8.210 nan 0.000 0.405 851 M N -0.413 118.907 119.600 -0.467 0.000 2.082 851 M HA -0.266 4.212 4.480 -0.003 0.000 0.258 851 M C 2.222 177.984 176.300 -0.896 0.000 1.069 851 M CA 1.794 56.590 55.300 -0.839 0.000 1.102 851 M CB -0.658 31.385 32.600 -0.927 0.000 1.336 851 M HN 0.230 nan 8.290 nan 0.000 0.404 852 E N 0.217 120.154 120.200 -0.438 0.000 2.110 852 E HA -0.168 4.180 4.350 -0.003 0.000 0.193 852 E C 2.165 178.722 176.600 -0.073 0.000 0.988 852 E CA 1.820 58.157 56.400 -0.105 0.000 0.804 852 E CB -0.089 29.614 29.700 0.005 0.000 0.745 852 E HN 0.579 nan 8.360 nan 0.000 0.458 853 S N 0.500 116.093 115.700 -0.178 0.000 2.414 853 S HA -0.045 4.423 4.470 -0.003 0.000 0.227 853 S C 2.087 176.553 174.600 -0.222 0.000 1.022 853 S CA 0.301 58.396 58.200 -0.175 0.000 0.958 853 S CB -0.373 62.606 63.200 -0.369 0.000 0.797 853 S HN 0.159 nan 8.310 nan 0.000 0.493 854 I N 0.144 120.481 120.570 -0.388 0.000 2.226 854 I HA -0.133 4.035 4.170 -0.003 0.000 0.245 854 I C 2.267 178.276 176.117 -0.180 0.000 1.100 854 I CA 1.202 62.239 61.300 -0.437 0.000 1.374 854 I CB -0.453 37.139 38.000 -0.681 0.000 1.057 854 I HN 0.384 nan 8.210 nan 0.000 0.413 855 W N 1.238 122.494 121.300 -0.074 0.000 2.465 855 W HA -0.114 4.544 4.660 -0.003 0.000 0.268 855 W C 2.377 178.929 176.519 0.055 0.000 1.242 855 W CA 0.702 58.038 57.345 -0.014 0.000 1.248 855 W CB -0.928 28.505 29.460 -0.045 0.000 1.118 855 W HN 0.335 nan 8.180 nan 0.000 0.587 856 E N 0.401 120.732 120.200 0.218 0.000 2.072 856 E HA -0.208 4.140 4.350 -0.003 0.000 0.191 856 E C 2.291 178.970 176.600 0.132 0.000 0.985 856 E CA 2.348 58.871 56.400 0.204 0.000 0.801 856 E CB -0.111 29.656 29.700 0.112 0.000 0.750 856 E HN 0.146 nan 8.360 nan 0.000 0.452 857 T N -0.873 113.725 114.554 0.075 0.000 2.778 857 T HA -0.183 4.165 4.350 -0.003 0.000 0.269 857 T C 1.115 175.877 174.700 0.104 0.000 1.050 857 T CA 1.585 63.725 62.100 0.066 0.000 1.137 857 T CB -0.198 68.702 68.868 0.054 0.000 0.860 857 T HN 0.217 nan 8.240 nan 0.000 0.468 858 E N 0.571 120.866 120.200 0.159 0.000 2.585 858 E HA 0.355 4.703 4.350 -0.003 0.000 0.206 858 E C 0.025 176.732 176.600 0.177 0.000 1.007 858 E CA -0.025 56.472 56.400 0.160 0.000 1.028 858 E CB 0.450 30.269 29.700 0.197 0.000 1.087 858 E HN 0.441 nan 8.360 nan 0.000 0.455 859 S N 0.324 116.147 115.700 0.205 0.000 3.586 859 S HA -0.176 4.292 4.470 -0.003 0.000 0.309 859 S C -0.007 174.847 174.600 0.424 0.000 1.195 859 S CA 0.459 58.816 58.200 0.262 0.000 0.895 859 S CB -1.462 61.834 63.200 0.160 0.000 0.983 859 S HN 0.377 nan 8.310 nan 0.000 0.563 860 L N 1.416 122.854 121.223 0.358 0.000 2.329 860 L HA 0.661 4.999 4.340 -0.003 0.000 0.279 860 L C -0.422 176.386 176.870 -0.103 0.000 1.014 860 L CA -0.530 54.374 54.840 0.107 0.000 0.814 860 L CB 1.660 43.719 42.059 -0.000 0.000 1.257 860 L HN 0.075 nan 8.230 nan 0.000 0.424 861 D N 3.352 123.475 120.400 -0.461 0.000 2.440 861 D HA 0.246 4.884 4.640 -0.003 0.000 0.252 861 D C -0.055 176.049 176.300 -0.327 0.000 1.180 861 D CA -0.369 53.258 54.000 -0.621 0.000 0.894 861 D CB 1.234 41.240 40.800 -1.322 0.000 1.111 861 D HN 0.208 nan 8.370 nan 0.000 0.544 862 L N 2.885 123.969 121.223 -0.232 0.000 2.700 862 L HA 0.182 4.519 4.340 -0.003 0.000 0.234 862 L C 0.514 177.316 176.870 -0.113 0.000 1.156 862 L CA -0.025 54.675 54.840 -0.233 0.000 0.946 862 L CB -1.154 40.530 42.059 -0.625 0.000 1.216 862 L HN 0.639 nan 8.230 nan 0.000 0.493 863 C N 0.710 119.951 119.300 -0.098 0.000 4.028 863 C HA -0.197 4.261 4.460 -0.003 0.000 0.300 863 C C 1.510 176.522 174.990 0.038 0.000 1.399 863 C CA -0.253 58.741 59.018 -0.040 0.000 2.051 863 C CB -3.119 24.605 27.740 -0.028 0.000 1.318 863 C HN 0.339 nan 8.230 nan 0.000 0.696 864 L N -0.676 120.545 121.223 -0.002 0.000 2.456 864 L HA 0.326 4.663 4.340 -0.003 0.000 0.246 864 L C 0.660 177.627 176.870 0.163 0.000 1.238 864 L CA -0.054 54.787 54.840 0.001 0.000 0.826 864 L CB 0.077 42.032 42.059 -0.172 0.000 1.150 864 L HN 0.188 nan 8.230 nan 0.000 0.514 865 L N 2.135 123.542 121.223 0.307 0.000 2.511 865 L HA 0.299 4.637 4.340 -0.003 0.000 0.252 865 L C -2.212 174.735 176.870 0.129 0.000 1.542 865 L CA -1.214 53.694 54.840 0.114 0.000 0.822 865 L CB 0.725 42.715 42.059 -0.115 0.000 1.050 865 L HN 0.227 nan 8.230 nan 0.000 0.516 866 P HA 0.080 nan 4.420 nan 0.000 0.249 866 P C -0.308 176.882 177.300 -0.183 0.000 1.737 866 P CA -0.207 62.839 63.100 -0.091 0.000 1.128 866 P CB -0.767 30.874 31.700 -0.098 0.000 1.942 867 Y N 0.353 120.622 120.300 -0.052 0.000 2.709 867 Y HA 0.317 4.864 4.550 -0.004 0.000 0.348 867 Y C 1.062 176.873 175.900 -0.148 0.000 1.267 867 Y CA -0.873 57.146 58.100 -0.135 0.000 1.486 867 Y CB -0.496 37.852 38.460 -0.186 0.000 1.356 867 Y HN 0.291 nan 8.280 nan 0.000 0.639 868 G N 0.218 108.927 108.800 -0.151 0.000 2.442 868 G HA2 0.343 4.301 3.960 -0.003 0.000 0.249 868 G HA3 0.343 4.301 3.960 -0.003 0.000 0.249 868 G C -1.251 173.485 174.900 -0.274 0.000 1.263 868 G CA -0.118 44.835 45.100 -0.244 0.000 0.846 868 G HN 1.212 nan 8.290 nan 0.000 0.555 869 C N 4.603 123.849 119.300 -0.090 0.000 2.817 869 C HA 0.571 5.029 4.460 -0.003 0.000 0.385 869 C C -1.097 173.911 174.990 0.030 0.000 1.050 869 C CA -1.078 57.924 59.018 -0.027 0.000 1.245 869 C CB -0.190 27.558 27.740 0.013 0.000 1.706 869 C HN 0.587 nan 8.230 nan 0.000 0.488 870 I N 5.011 125.604 120.570 0.039 0.000 2.406 870 I HA 0.371 4.539 4.170 -0.003 0.000 0.290 870 I C 0.542 176.660 176.117 0.001 0.000 0.999 870 I CA 0.317 61.641 61.300 0.041 0.000 1.124 870 I CB 1.965 39.930 38.000 -0.059 0.000 1.289 870 I HN 0.819 nan 8.210 nan 0.000 0.441 871 S N 3.744 119.464 115.700 0.035 0.000 2.523 871 S HA 0.337 4.805 4.470 -0.003 0.000 0.275 871 S C 0.980 175.643 174.600 0.106 0.000 1.281 871 S CA -0.114 58.111 58.200 0.042 0.000 1.050 871 S CB 0.519 63.726 63.200 0.013 0.000 0.937 871 S HN 0.782 nan 8.310 nan 0.000 0.492 872 T N 1.763 116.388 114.554 0.117 0.000 2.955 872 T HA 0.541 4.889 4.350 -0.003 0.000 0.251 872 T C 0.883 175.685 174.700 0.170 0.000 1.002 872 T CA 0.275 62.496 62.100 0.202 0.000 0.970 872 T CB 0.244 69.235 68.868 0.205 0.000 1.091 872 T HN 0.870 nan 8.240 nan 0.000 0.495 873 G N 0.805 109.680 108.800 0.126 0.000 2.588 873 G HA2 0.424 4.382 3.960 -0.003 0.000 0.281 873 G HA3 0.424 4.382 3.960 -0.003 0.000 0.281 873 G C -2.032 172.928 174.900 0.099 0.000 1.223 873 G CA -0.496 44.668 45.100 0.107 0.000 0.871 873 G HN 0.113 nan 8.290 nan 0.000 0.492 874 D N 0.772 121.235 120.400 0.105 0.000 2.338 874 D HA 0.289 4.927 4.640 -0.003 0.000 0.255 874 D C 0.450 176.847 176.300 0.162 0.000 1.237 874 D CA 0.048 54.116 54.000 0.113 0.000 0.883 874 D CB 0.191 41.055 40.800 0.107 0.000 1.087 874 D HN 0.504 nan 8.370 nan 0.000 0.485 875 K N 1.951 122.428 120.400 0.129 0.000 3.071 875 K HA -0.233 4.085 4.320 -0.003 0.000 0.262 875 K C -0.532 176.179 176.600 0.185 0.000 0.977 875 K CA 0.401 56.759 56.287 0.118 0.000 0.721 875 K CB -1.275 31.277 32.500 0.085 0.000 1.293 875 K HN 0.528 nan 8.250 nan 0.000 0.475 876 I N -1.315 119.351 120.570 0.161 0.000 2.715 876 I HA 0.541 4.709 4.170 -0.003 0.000 0.288 876 I C -0.230 175.968 176.117 0.135 0.000 1.371 876 I CA 0.103 61.518 61.300 0.191 0.000 1.056 876 I CB 1.854 39.990 38.000 0.227 0.000 1.339 876 I HN 0.182 nan 8.210 nan 0.000 0.425 877 G N 6.672 115.537 108.800 0.108 0.000 2.490 877 G HA2 0.613 4.571 3.960 -0.003 0.000 0.308 877 G HA3 0.613 4.571 3.960 -0.003 0.000 0.308 877 G C -1.628 173.175 174.900 -0.162 0.000 1.286 877 G CA -0.453 44.657 45.100 0.017 0.000 0.825 877 G HN 0.782 nan 8.290 nan 0.000 0.479 878 M N -0.998 118.433 119.600 -0.282 0.000 2.690 878 M HA 0.898 5.376 4.480 -0.003 0.000 0.302 878 M C -1.633 174.526 176.300 -0.236 0.000 1.234 878 M CA -0.979 54.004 55.300 -0.528 0.000 0.853 878 M CB 2.467 34.578 32.600 -0.816 0.000 1.748 878 M HN 0.448 nan 8.290 nan 0.000 0.469 879 I N 0.433 120.856 120.570 -0.245 0.000 2.722 879 I HA 0.346 4.514 4.170 -0.003 0.000 0.295 879 I C -0.754 175.156 176.117 -0.346 0.000 1.161 879 I CA -0.611 60.562 61.300 -0.212 0.000 1.032 879 I CB 2.562 40.474 38.000 -0.147 0.000 1.244 879 I HN 0.841 nan 8.210 nan 0.000 0.421 880 E N 5.305 125.158 120.200 -0.578 0.000 2.354 880 E HA 0.381 4.728 4.350 -0.003 0.000 0.269 880 E C -1.084 175.305 176.600 -0.351 0.000 1.036 880 E CA -0.444 55.577 56.400 -0.632 0.000 0.876 880 E CB 1.138 30.376 29.700 -0.769 0.000 1.009 880 E HN 0.417 nan 8.360 nan 0.000 0.416 881 I N 4.769 125.183 120.570 -0.259 0.000 2.297 881 I HA 0.111 4.279 4.170 -0.003 0.000 0.291 881 I C -0.221 175.820 176.117 -0.128 0.000 1.033 881 I CA -0.719 60.409 61.300 -0.287 0.000 1.253 881 I CB 1.374 39.107 38.000 -0.444 0.000 1.396 881 I HN 0.301 nan 8.210 nan 0.000 0.476 882 V N 6.872 126.722 119.914 -0.107 0.000 2.655 882 V HA 0.018 4.136 4.120 -0.003 0.000 0.300 882 V C 0.509 176.646 176.094 0.071 0.000 1.044 882 V CA -0.111 62.165 62.300 -0.040 0.000 1.095 882 V CB 0.865 32.598 31.823 -0.150 0.000 0.952 882 V HN 0.544 nan 8.190 nan 0.000 0.485 883 K N 3.562 124.015 120.400 0.088 0.000 2.276 883 K HA 0.271 4.589 4.320 -0.003 0.000 0.283 883 K C 0.213 176.913 176.600 0.166 0.000 1.044 883 K CA 0.152 56.519 56.287 0.133 0.000 0.944 883 K CB 0.119 32.688 32.500 0.114 0.000 1.012 883 K HN 0.742 nan 8.250 nan 0.000 0.472 884 D N 0.657 121.177 120.400 0.200 0.000 2.873 884 D HA -0.180 4.458 4.640 -0.003 0.000 0.228 884 D C -0.907 175.554 176.300 0.268 0.000 1.122 884 D CA 0.943 55.070 54.000 0.211 0.000 0.758 884 D CB -1.159 39.741 40.800 0.167 0.000 1.094 884 D HN 0.509 nan 8.370 nan 0.000 0.434 885 A N 0.172 123.160 122.820 0.280 0.000 2.317 885 A HA 0.690 5.008 4.320 -0.003 0.000 0.327 885 A C 0.366 178.060 177.584 0.182 0.000 1.178 885 A CA -0.111 52.099 52.037 0.288 0.000 0.817 885 A CB 1.499 20.750 19.000 0.419 0.000 1.189 885 A HN 0.008 nan 8.150 nan 0.000 0.489 886 T N 1.562 116.150 114.554 0.057 0.000 2.863 886 T HA 0.468 4.816 4.350 -0.003 0.000 0.285 886 T C 0.225 174.779 174.700 -0.243 0.000 1.009 886 T CA -0.190 61.860 62.100 -0.083 0.000 0.989 886 T CB 1.348 70.119 68.868 -0.160 0.000 1.004 886 T HN 0.647 nan 8.240 nan 0.000 0.455 887 T N 2.854 117.274 114.554 -0.224 0.000 2.940 887 T HA 0.128 4.476 4.350 -0.003 0.000 0.309 887 T C 1.815 176.320 174.700 -0.324 0.000 1.056 887 T CA -0.174 61.757 62.100 -0.281 0.000 1.137 887 T CB 0.209 68.943 68.868 -0.224 0.000 0.976 887 T HN 0.431 nan 8.240 nan 0.000 0.547 888 I N 1.791 122.172 120.570 -0.316 0.000 2.353 888 I HA -0.145 4.023 4.170 -0.003 0.000 0.248 888 I C 2.764 178.722 176.117 -0.264 0.000 1.119 888 I CA 0.962 62.100 61.300 -0.270 0.000 1.417 888 I CB -0.735 37.187 38.000 -0.129 0.000 1.078 888 I HN 0.786 nan 8.210 nan 0.000 0.421 889 A N 1.151 123.798 122.820 -0.288 0.000 1.896 889 A HA -0.325 3.993 4.320 -0.003 0.000 0.220 889 A C 2.406 179.880 177.584 -0.184 0.000 1.206 889 A CA 2.315 54.197 52.037 -0.259 0.000 0.647 889 A CB -0.661 18.178 19.000 -0.268 0.000 0.828 889 A HN 0.348 nan 8.150 nan 0.000 0.455 890 K N -0.745 119.546 120.400 -0.182 0.000 2.155 890 K HA 0.043 4.361 4.320 -0.003 0.000 0.203 890 K C 1.798 178.310 176.600 -0.147 0.000 1.052 890 K CA 1.080 57.288 56.287 -0.133 0.000 0.948 890 K CB -0.227 32.204 32.500 -0.115 0.000 0.728 890 K HN 0.589 nan 8.250 nan 0.000 0.448 891 I N 0.883 121.303 120.570 -0.250 0.000 2.493 891 I HA -0.243 3.925 4.170 -0.003 0.000 0.254 891 I C 2.405 178.430 176.117 -0.153 0.000 1.160 891 I CA 0.760 61.890 61.300 -0.283 0.000 1.445 891 I CB -0.106 37.551 38.000 -0.571 0.000 1.086 891 I HN 0.226 nan 8.210 nan 0.000 0.433 892 Q N 0.465 120.167 119.800 -0.164 0.000 1.984 892 Q HA -0.209 4.129 4.340 -0.003 0.000 0.196 892 Q C 2.140 178.101 176.000 -0.064 0.000 0.975 892 Q CA 1.369 57.089 55.803 -0.139 0.000 0.827 892 Q CB -0.444 28.126 28.738 -0.280 0.000 0.894 892 Q HN 0.486 nan 8.270 nan 0.000 0.438 893 Q N 0.522 120.292 119.800 -0.051 0.000 2.308 893 Q HA -0.164 4.174 4.340 -0.003 0.000 0.209 893 Q C 2.034 178.030 176.000 -0.007 0.000 0.985 893 Q CA 1.362 57.165 55.803 0.000 0.000 0.881 893 Q CB -0.071 28.671 28.738 0.006 0.000 0.917 893 Q HN 0.253 nan 8.270 nan 0.000 0.443 894 S N -0.050 115.638 115.700 -0.020 0.000 2.369 894 S HA -0.188 4.280 4.470 -0.003 0.000 0.225 894 S C 1.083 175.682 174.600 -0.003 0.000 1.043 894 S CA 1.679 59.878 58.200 -0.002 0.000 1.074 894 S CB -0.730 62.481 63.200 0.019 0.000 0.962 894 S HN 0.661 nan 8.310 nan 0.000 0.433 895 T N 0.051 114.599 114.554 -0.010 0.000 2.776 895 T HA 0.492 4.840 4.350 -0.003 0.000 0.292 895 T C 1.053 175.745 174.700 -0.012 0.000 0.921 895 T CA -0.026 62.064 62.100 -0.018 0.000 1.038 895 T CB 0.289 69.139 68.868 -0.031 0.000 0.910 895 T HN 0.526 nan 8.240 nan 0.000 0.536 896 V N 3.111 123.019 119.914 -0.011 0.000 0.579 896 V HA -0.375 3.743 4.120 -0.003 0.000 0.092 896 V C 2.008 178.106 176.094 0.007 0.000 1.890 896 V CA 2.319 64.615 62.300 -0.006 0.000 3.424 896 V CB -2.173 29.642 31.823 -0.013 0.000 0.714 896 V HN 2.186 nan 8.190 nan 0.000 0.740 897 G N 0.912 109.725 108.800 0.021 0.000 2.326 897 G HA2 -0.364 3.593 3.960 -0.003 0.000 0.286 897 G HA3 -0.364 3.593 3.960 -0.003 0.000 0.286 897 G C -0.104 174.825 174.900 0.048 0.000 1.096 897 G CA 0.699 45.830 45.100 0.053 0.000 1.003 897 G HN 1.222 nan 8.290 nan 0.000 0.503 898 N N 0.540 119.254 118.700 0.024 0.000 3.027 898 N HA 0.206 4.944 4.740 -0.003 0.000 0.309 898 N C 1.886 177.395 175.510 -0.002 0.000 1.222 898 N CA 0.619 53.667 53.050 -0.003 0.000 1.187 898 N CB -0.268 38.199 38.487 -0.033 0.000 1.458 898 N HN 0.478 nan 8.380 nan 0.000 0.535 899 T N -0.074 114.501 114.554 0.035 0.000 10.684 899 T HA -0.295 4.053 4.350 -0.003 0.000 0.419 899 T C 1.047 175.779 174.700 0.053 0.000 1.443 899 T CA 1.841 63.974 62.100 0.055 0.000 2.429 899 T CB -1.070 67.817 68.868 0.031 0.000 2.927 899 T HN 0.653 nan 8.240 nan 0.000 1.083 900 G N 0.034 108.780 108.800 -0.090 0.000 4.490 900 G HA2 0.516 4.474 3.960 -0.003 0.000 0.233 900 G HA3 0.516 4.474 3.960 -0.003 0.000 0.233 900 G C -0.019 174.331 174.900 -0.917 0.000 1.027 900 G CA 0.402 45.188 45.100 -0.523 0.000 0.829 900 G HN 1.000 nan 8.290 nan 0.000 0.343 901 A N 1.176 123.748 122.820 -0.415 0.000 2.473 901 A HA 0.635 4.953 4.320 -0.003 0.000 0.282 901 A C -0.486 176.944 177.584 -0.257 0.000 1.163 901 A CA 0.198 52.021 52.037 -0.357 0.000 0.827 901 A CB -0.582 18.311 19.000 -0.178 0.000 1.098 901 A HN 0.302 nan 8.150 nan 0.000 0.515 902 F N 2.152 121.826 119.950 -0.461 0.000 2.443 902 F HA 0.497 5.022 4.527 -0.003 0.000 0.335 902 F C 0.208 175.607 175.800 -0.668 0.000 1.104 902 F CA -0.956 56.580 58.000 -0.773 0.000 1.013 902 F CB 2.228 40.287 39.000 -1.570 0.000 1.136 902 F HN 0.418 nan 8.300 nan 0.000 0.470 903 K N 1.207 121.463 120.400 -0.241 0.000 2.324 903 K HA 0.313 4.631 4.320 -0.003 0.000 0.253 903 K C -0.674 175.957 176.600 0.051 0.000 0.932 903 K CA -0.752 55.490 56.287 -0.075 0.000 0.799 903 K CB 1.519 33.980 32.500 -0.065 0.000 1.154 903 K HN 0.295 nan 8.250 nan 0.000 0.425 904 D N 1.015 121.497 120.400 0.136 0.000 2.323 904 D HA -0.083 4.555 4.640 -0.003 0.000 0.209 904 D C 0.745 176.916 176.300 -0.216 0.000 0.973 904 D CA 0.675 54.784 54.000 0.182 0.000 0.874 904 D CB 0.359 41.275 40.800 0.194 0.000 0.930 904 D HN 0.515 nan 8.370 nan 0.000 0.521 905 E N 0.350 120.336 120.200 -0.356 0.000 2.230 905 E HA -0.023 4.325 4.350 -0.003 0.000 0.192 905 E C 2.212 178.721 176.600 -0.152 0.000 0.987 905 E CA 0.096 56.165 56.400 -0.553 0.000 0.841 905 E CB 0.412 29.906 29.700 -0.343 0.000 0.783 905 E HN 0.123 nan 8.360 nan 0.000 0.481 906 V N 1.804 121.697 119.914 -0.035 0.000 2.233 906 V HA -0.285 3.833 4.120 -0.003 0.000 0.247 906 V C 2.642 178.825 176.094 0.149 0.000 1.050 906 V CA 1.500 63.837 62.300 0.061 0.000 1.010 906 V CB -0.800 31.032 31.823 0.015 0.000 0.637 906 V HN 0.227 nan 8.190 nan 0.000 0.444 907 L N 0.442 121.724 121.223 0.097 0.000 1.997 907 L HA -0.337 4.001 4.340 -0.003 0.000 0.227 907 L C 2.711 179.709 176.870 0.214 0.000 1.087 907 L CA 2.488 57.389 54.840 0.102 0.000 0.797 907 L CB -0.756 41.298 42.059 -0.008 0.000 0.902 907 L HN 0.484 nan 8.230 nan 0.000 0.441 908 N N -0.901 117.907 118.700 0.179 0.000 2.192 908 N HA -0.253 4.485 4.740 -0.003 0.000 0.188 908 N C 1.740 177.434 175.510 0.306 0.000 1.013 908 N CA 1.767 54.972 53.050 0.258 0.000 0.863 908 N CB -0.162 38.525 38.487 0.333 0.000 0.990 908 N HN 0.478 nan 8.380 nan 0.000 0.430 909 H N -1.641 117.542 119.070 0.189 0.000 2.276 909 H HA -0.124 4.429 4.556 -0.003 0.000 0.301 909 H C 1.693 177.130 175.328 0.181 0.000 1.073 909 H CA 2.057 58.188 56.048 0.138 0.000 1.311 909 H CB -0.332 29.480 29.762 0.084 0.000 1.379 909 H HN 0.315 nan 8.280 nan 0.000 0.494 910 W N 1.004 122.420 121.300 0.195 0.000 2.290 910 W HA -0.299 4.359 4.660 -0.004 0.000 0.311 910 W C 1.795 178.391 176.519 0.127 0.000 1.238 910 W CA 1.800 59.212 57.345 0.113 0.000 1.255 910 W CB -0.493 29.000 29.460 0.056 0.000 1.145 910 W HN 0.198 nan 8.180 nan 0.000 0.506 911 L N 0.653 122.109 121.223 0.388 0.000 2.046 911 L HA -0.223 4.115 4.340 -0.003 0.000 0.208 911 L C 2.506 179.530 176.870 0.257 0.000 1.077 911 L CA 2.053 57.052 54.840 0.264 0.000 0.747 911 L CB -1.020 41.210 42.059 0.285 0.000 0.896 911 L HN -0.143 nan 8.230 nan 0.000 0.432 912 K N 0.068 120.656 120.400 0.312 0.000 2.211 912 K HA -0.181 4.137 4.320 -0.003 0.000 0.203 912 K C 1.967 178.551 176.600 -0.026 0.000 1.050 912 K CA 1.291 57.613 56.287 0.059 0.000 0.945 912 K CB -0.108 32.236 32.500 -0.260 0.000 0.732 912 K HN 0.307 nan 8.250 nan 0.000 0.451 913 E N 0.132 120.288 120.200 -0.073 0.000 2.072 913 E HA -0.126 4.222 4.350 -0.003 0.000 0.191 913 E C 0.674 177.139 176.600 -0.224 0.000 0.985 913 E CA 0.895 57.205 56.400 -0.149 0.000 0.801 913 E CB 0.176 29.753 29.700 -0.204 0.000 0.750 913 E HN 0.091 nan 8.360 nan 0.000 0.452 914 K N 0.444 120.619 120.400 -0.374 0.000 2.476 914 K HA 0.097 4.415 4.320 -0.003 0.000 0.196 914 K C 0.109 176.619 176.600 -0.150 0.000 1.025 914 K CA 0.061 56.135 56.287 -0.355 0.000 1.138 914 K CB 0.676 32.769 32.500 -0.679 0.000 0.860 914 K HN -0.131 nan 8.250 nan 0.000 0.515 915 S N 1.462 117.130 115.700 -0.054 0.000 2.774 915 S HA 0.349 4.817 4.470 -0.003 0.000 0.297 915 S C -2.211 172.400 174.600 0.019 0.000 1.143 915 S CA -1.543 56.680 58.200 0.039 0.000 1.090 915 S CB 1.319 64.641 63.200 0.203 0.000 1.019 915 S HN -0.138 nan 8.310 nan 0.000 0.482 916 P HA 0.023 nan 4.420 nan 0.000 0.215 916 P C 0.568 177.866 177.300 -0.002 0.000 1.157 916 P CA 0.934 64.028 63.100 -0.009 0.000 0.859 916 P CB -0.107 31.589 31.700 -0.007 0.000 0.786 917 T N -3.005 111.561 114.554 0.020 0.000 2.902 917 T HA 0.268 4.616 4.350 -0.003 0.000 0.283 917 T C 1.074 175.806 174.700 0.052 0.000 1.009 917 T CA -0.712 61.401 62.100 0.023 0.000 1.051 917 T CB 1.400 70.284 68.868 0.026 0.000 0.999 917 T HN -0.157 nan 8.240 nan 0.000 0.474 918 E N 0.863 121.080 120.200 0.029 0.000 2.171 918 E HA -0.191 4.157 4.350 -0.003 0.000 0.197 918 E C 1.697 178.379 176.600 0.137 0.000 0.997 918 E CA 1.404 57.839 56.400 0.058 0.000 0.810 918 E CB -0.064 29.645 29.700 0.016 0.000 0.738 918 E HN 0.888 nan 8.360 nan 0.000 0.467 919 E N 1.374 121.629 120.200 0.092 0.000 2.007 919 E HA -0.155 4.193 4.350 -0.003 0.000 0.194 919 E C 1.733 178.392 176.600 0.098 0.000 0.999 919 E CA 1.661 58.112 56.400 0.085 0.000 0.811 919 E CB -0.087 29.644 29.700 0.051 0.000 0.762 919 E HN 0.099 nan 8.360 nan 0.000 0.450 920 K N -0.731 119.722 120.400 0.088 0.000 2.280 920 K HA -0.107 4.211 4.320 -0.003 0.000 0.202 920 K C 2.046 178.705 176.600 0.099 0.000 1.047 920 K CA 0.889 57.220 56.287 0.073 0.000 0.942 920 K CB -0.286 32.246 32.500 0.054 0.000 0.739 920 K HN 0.152 nan 8.250 nan 0.000 0.457 921 F N 2.312 122.265 119.950 0.005 0.000 2.039 921 F HA -0.204 4.320 4.527 -0.003 0.000 0.294 921 F C 2.355 178.167 175.800 0.020 0.000 1.130 921 F CA 1.461 59.465 58.000 0.006 0.000 1.189 921 F CB -0.082 38.915 39.000 -0.004 0.000 0.983 921 F HN -0.074 nan 8.300 nan 0.000 0.471 922 Q N 0.611 120.487 119.800 0.127 0.000 2.181 922 Q HA -0.179 4.159 4.340 -0.003 0.000 0.205 922 Q C 2.392 178.364 176.000 -0.047 0.000 0.980 922 Q CA 1.404 57.217 55.803 0.017 0.000 0.862 922 Q CB -1.060 27.770 28.738 0.152 0.000 0.905 922 Q HN 0.581 nan 8.270 nan 0.000 0.429 923 A N 0.700 123.513 122.820 -0.011 0.000 1.972 923 A HA -0.054 4.264 4.320 -0.003 0.000 0.219 923 A C 2.289 179.849 177.584 -0.039 0.000 1.169 923 A CA 1.679 53.712 52.037 -0.007 0.000 0.635 923 A CB -0.464 18.541 19.000 0.008 0.000 0.810 923 A HN 0.363 nan 8.150 nan 0.000 0.446 924 A N -0.557 122.197 122.820 -0.110 0.000 1.897 924 A HA 0.067 4.385 4.320 -0.003 0.000 0.215 924 A C 2.205 179.707 177.584 -0.138 0.000 1.181 924 A CA 1.594 53.561 52.037 -0.117 0.000 0.620 924 A CB -0.846 18.041 19.000 -0.189 0.000 0.821 924 A HN 0.351 nan 8.150 nan 0.000 0.443 925 V N 0.335 120.053 119.914 -0.327 0.000 2.295 925 V HA -0.281 3.837 4.120 -0.003 0.000 0.246 925 V C 2.564 178.614 176.094 -0.073 0.000 1.049 925 V CA 2.487 64.620 62.300 -0.278 0.000 1.024 925 V CB -0.865 30.700 31.823 -0.430 0.000 0.648 925 V HN 0.772 nan 8.190 nan 0.000 0.447 926 E N 0.993 121.173 120.200 -0.033 0.000 2.068 926 E HA -0.320 4.028 4.350 -0.003 0.000 0.207 926 E C 2.325 179.057 176.600 0.219 0.000 1.032 926 E CA 2.416 58.892 56.400 0.127 0.000 0.839 926 E CB -0.430 29.335 29.700 0.108 0.000 0.758 926 E HN 0.447 nan 8.360 nan 0.000 0.457 927 R N -1.336 119.243 120.500 0.133 0.000 2.081 927 R HA -0.141 4.197 4.340 -0.003 0.000 0.235 927 R C 2.403 178.820 176.300 0.195 0.000 1.131 927 R CA 1.496 57.678 56.100 0.136 0.000 0.960 927 R CB -0.622 29.724 30.300 0.078 0.000 0.856 927 R HN 0.336 nan 8.270 nan 0.000 0.436 928 F N 0.746 120.723 119.950 0.046 0.000 2.091 928 F HA -0.290 4.235 4.527 -0.003 0.000 0.299 928 F C 1.963 177.813 175.800 0.083 0.000 1.103 928 F CA 1.773 59.788 58.000 0.025 0.000 1.228 928 F CB -0.464 38.501 39.000 -0.059 0.000 0.984 928 F HN -0.182 nan 8.300 nan 0.000 0.477 929 V N -0.462 119.584 119.914 0.220 0.000 2.252 929 V HA -0.381 3.737 4.120 -0.003 0.000 0.249 929 V C 2.132 178.221 176.094 -0.008 0.000 1.056 929 V CA 2.441 64.834 62.300 0.155 0.000 1.022 929 V CB -1.178 30.727 31.823 0.137 0.000 0.641 929 V HN 0.387 nan 8.190 nan 0.000 0.445 930 Y N 1.423 121.690 120.300 -0.055 0.000 2.163 930 Y HA -0.202 4.346 4.550 -0.003 0.000 0.288 930 Y C 2.933 178.734 175.900 -0.165 0.000 1.136 930 Y CA 1.628 59.640 58.100 -0.146 0.000 1.147 930 Y CB -0.898 37.473 38.460 -0.149 0.000 0.987 930 Y HN 0.370 nan 8.280 nan 0.000 0.509 931 S N -1.048 114.685 115.700 0.055 0.000 2.353 931 S HA -0.313 4.155 4.470 -0.003 0.000 0.222 931 S C 2.228 176.846 174.600 0.030 0.000 1.035 931 S CA 1.217 59.452 58.200 0.058 0.000 1.025 931 S CB -1.487 61.763 63.200 0.082 0.000 0.902 931 S HN 0.617 nan 8.310 nan 0.000 0.440 932 C N 2.550 121.710 119.300 -0.233 0.000 2.413 932 C HA 0.033 4.491 4.460 -0.003 0.000 0.278 932 C C 3.208 178.226 174.990 0.046 0.000 1.224 932 C CA 1.187 60.095 59.018 -0.183 0.000 1.732 932 C CB -1.760 25.688 27.740 -0.486 0.000 2.050 932 C HN 0.674 nan 8.230 nan 0.000 0.463 933 A N 0.500 123.291 122.820 -0.047 0.000 1.915 933 A HA -0.083 4.235 4.320 -0.003 0.000 0.220 933 A C 2.490 179.883 177.584 -0.318 0.000 1.198 933 A CA 2.727 54.535 52.037 -0.382 0.000 0.647 933 A CB -1.702 16.925 19.000 -0.620 0.000 0.825 933 A HN 0.830 nan 8.150 nan 0.000 0.456 934 G N -1.989 106.651 108.800 -0.268 0.000 2.491 934 G HA2 -0.273 3.685 3.960 -0.003 0.000 0.218 934 G HA3 -0.273 3.685 3.960 -0.003 0.000 0.218 934 G C 1.493 176.268 174.900 -0.209 0.000 1.180 934 G CA 1.397 46.301 45.100 -0.326 0.000 0.774 934 G HN 0.608 nan 8.290 nan 0.000 0.562 935 Y N -0.300 119.965 120.300 -0.057 0.000 2.420 935 Y HA 0.029 4.577 4.550 -0.003 0.000 0.292 935 Y C 3.060 178.907 175.900 -0.089 0.000 1.119 935 Y CA 0.227 58.294 58.100 -0.056 0.000 1.229 935 Y CB -0.124 38.299 38.460 -0.062 0.000 1.026 935 Y HN 0.224 nan 8.280 nan 0.000 0.554 936 C N -0.870 118.418 119.300 -0.020 0.000 2.413 936 C HA -0.176 4.282 4.460 -0.003 0.000 0.277 936 C C 2.695 177.519 174.990 -0.278 0.000 1.228 936 C CA 1.150 59.915 59.018 -0.422 0.000 1.731 936 C CB -1.117 26.229 27.740 -0.657 0.000 2.042 936 C HN 0.339 nan 8.230 nan 0.000 0.468 937 V N 1.293 121.148 119.914 -0.099 0.000 2.261 937 V HA -0.197 3.921 4.120 -0.003 0.000 0.246 937 V C 2.704 178.928 176.094 0.216 0.000 1.047 937 V CA 2.309 64.654 62.300 0.075 0.000 1.015 937 V CB -1.343 30.461 31.823 -0.031 0.000 0.642 937 V HN 0.609 nan 8.190 nan 0.000 0.446 938 A N -0.890 122.032 122.820 0.171 0.000 1.898 938 A HA -0.244 4.074 4.320 -0.003 0.000 0.216 938 A C 2.457 180.114 177.584 0.121 0.000 1.181 938 A CA 2.531 54.643 52.037 0.125 0.000 0.620 938 A CB -0.991 18.035 19.000 0.043 0.000 0.819 938 A HN 0.458 nan 8.150 nan 0.000 0.442 939 T N -1.509 113.140 114.554 0.159 0.000 2.777 939 T HA -0.128 4.220 4.350 -0.003 0.000 0.266 939 T C 1.608 176.519 174.700 0.351 0.000 1.040 939 T CA 1.682 63.910 62.100 0.213 0.000 1.141 939 T CB -0.425 68.556 68.868 0.189 0.000 0.868 939 T HN 0.414 nan 8.240 nan 0.000 0.444 940 F N 1.901 122.012 119.950 0.269 0.000 2.069 940 F HA -0.051 4.474 4.527 -0.003 0.000 0.298 940 F C 2.239 178.249 175.800 0.349 0.000 1.113 940 F CA 0.965 59.195 58.000 0.383 0.000 1.214 940 F CB -1.056 38.233 39.000 0.481 0.000 0.978 940 F HN -0.001 nan 8.300 nan 0.000 0.474 941 V N 1.004 120.928 119.914 0.018 0.000 2.324 941 V HA -0.313 3.805 4.120 -0.003 0.000 0.250 941 V C 2.499 178.535 176.094 -0.097 0.000 1.060 941 V CA 2.145 64.347 62.300 -0.163 0.000 1.042 941 V CB -0.824 30.971 31.823 -0.046 0.000 0.650 941 V HN 0.391 nan 8.190 nan 0.000 0.450 942 L N 0.087 121.298 121.223 -0.019 0.000 2.492 942 L HA 0.276 4.614 4.340 -0.003 0.000 0.223 942 L C 1.562 178.421 176.870 -0.017 0.000 1.132 942 L CA 0.761 55.571 54.840 -0.051 0.000 0.850 942 L CB -0.572 41.506 42.059 0.031 0.000 0.966 942 L HN 0.546 nan 8.230 nan 0.000 0.454 943 G N 1.928 110.770 108.800 0.070 0.000 2.298 943 G HA2 -0.274 3.684 3.960 -0.003 0.000 0.287 943 G HA3 -0.274 3.684 3.960 -0.003 0.000 0.287 943 G C 0.426 175.349 174.900 0.038 0.000 1.075 943 G CA 0.541 45.585 45.100 -0.094 0.000 0.960 943 G HN 0.610 nan 8.290 nan 0.000 0.502 944 I N -3.706 116.982 120.570 0.195 0.000 3.621 944 I HA 0.522 4.689 4.170 -0.003 0.000 0.325 944 I C 1.305 177.632 176.117 0.349 0.000 1.554 944 I CA -0.023 61.432 61.300 0.257 0.000 1.053 944 I CB 0.388 38.553 38.000 0.274 0.000 1.302 944 I HN 0.064 nan 8.210 nan 0.000 0.518 945 G N 0.254 109.288 108.800 0.390 0.000 2.712 945 G HA2 -0.066 3.892 3.960 -0.003 0.000 0.212 945 G HA3 -0.066 3.892 3.960 -0.003 0.000 0.212 945 G C 0.263 175.419 174.900 0.426 0.000 1.142 945 G CA 0.187 45.573 45.100 0.477 0.000 0.789 945 G HN 0.336 nan 8.290 nan 0.000 0.535 946 D N 0.978 121.601 120.400 0.371 0.000 2.500 946 D HA 0.288 4.926 4.640 -0.003 0.000 0.219 946 D C 0.042 176.564 176.300 0.370 0.000 1.137 946 D CA -0.098 54.144 54.000 0.402 0.000 0.946 946 D CB 0.231 41.276 40.800 0.408 0.000 1.022 946 D HN -0.017 nan 8.370 nan 0.000 0.518 947 R N 1.377 121.980 120.500 0.171 0.000 2.795 947 R HA 0.270 4.608 4.340 -0.003 0.000 0.275 947 R C -0.341 175.644 176.300 -0.525 0.000 0.981 947 R CA -0.920 55.051 56.100 -0.215 0.000 0.917 947 R CB 1.238 31.488 30.300 -0.082 0.000 1.202 947 R HN 0.409 nan 8.270 nan 0.000 0.469 948 H N 1.263 119.738 119.070 -0.991 0.000 2.562 948 H HA 0.159 4.713 4.556 -0.003 0.000 0.352 948 H C 1.040 176.135 175.328 -0.389 0.000 1.125 948 H CA 0.142 55.719 56.048 -0.786 0.000 1.379 948 H CB 0.764 30.069 29.762 -0.762 0.000 1.464 948 H HN 0.397 nan 8.280 nan 0.000 0.563 949 N N 2.615 120.921 118.700 -0.657 0.000 2.073 949 N HA -0.275 4.463 4.740 -0.003 0.000 0.199 949 N C 1.330 176.445 175.510 -0.658 0.000 1.023 949 N CA 1.906 54.582 53.050 -0.624 0.000 0.880 949 N CB -0.425 37.715 38.487 -0.577 0.000 1.052 949 N HN 0.800 nan 8.380 nan 0.000 0.449 950 D N 0.169 120.016 120.400 -0.922 0.000 2.154 950 D HA -0.139 4.499 4.640 -0.003 0.000 0.190 950 D C 0.629 176.694 176.300 -0.392 0.000 1.003 950 D CA 1.425 55.132 54.000 -0.489 0.000 0.849 950 D CB -0.363 40.263 40.800 -0.290 0.000 0.942 950 D HN 0.447 nan 8.370 nan 0.000 0.446 951 N N -0.938 117.514 118.700 -0.413 0.000 2.362 951 N HA 0.163 4.901 4.740 -0.003 0.000 0.211 951 N C -0.570 174.643 175.510 -0.495 0.000 1.170 951 N CA -0.176 52.637 53.050 -0.395 0.000 0.828 951 N CB 0.569 38.844 38.487 -0.354 0.000 1.034 951 N HN 0.249 nan 8.380 nan 0.000 0.475 952 I N 1.135 121.402 120.570 -0.505 0.000 2.466 952 I HA 0.329 4.497 4.170 -0.003 0.000 0.289 952 I C -0.467 175.345 176.117 -0.508 0.000 1.026 952 I CA -0.494 60.472 61.300 -0.556 0.000 1.078 952 I CB 1.663 39.390 38.000 -0.454 0.000 1.249 952 I HN -0.130 nan 8.210 nan 0.000 0.429 953 M N 6.183 125.344 119.600 -0.731 0.000 2.821 953 M HA 0.650 5.128 4.480 -0.003 0.000 0.304 953 M C -0.857 175.095 176.300 -0.580 0.000 1.233 953 M CA -0.892 53.972 55.300 -0.727 0.000 0.851 953 M CB 3.206 35.227 32.600 -0.966 0.000 1.723 953 M HN 0.457 nan 8.290 nan 0.000 0.493 954 I N 0.458 120.843 120.570 -0.308 0.000 2.752 954 I HA 0.408 4.576 4.170 -0.003 0.000 0.295 954 I C -0.595 175.618 176.117 0.159 0.000 1.219 954 I CA -0.390 60.894 61.300 -0.026 0.000 1.030 954 I CB 2.563 40.529 38.000 -0.055 0.000 1.259 954 I HN 0.871 nan 8.210 nan 0.000 0.423 955 T N 1.406 116.154 114.554 0.322 0.000 2.899 955 T HA 0.312 4.660 4.350 -0.003 0.000 0.284 955 T C 0.822 175.782 174.700 0.434 0.000 1.004 955 T CA -0.393 61.920 62.100 0.355 0.000 1.043 955 T CB 1.419 70.458 68.868 0.284 0.000 1.013 955 T HN 0.714 nan 8.240 nan 0.000 0.518 956 E N 0.138 120.578 120.200 0.399 0.000 2.267 956 E HA -0.122 4.226 4.350 -0.003 0.000 0.197 956 E C 1.567 178.258 176.600 0.152 0.000 0.998 956 E CA 1.218 57.760 56.400 0.236 0.000 0.830 956 E CB -0.104 29.629 29.700 0.055 0.000 0.751 956 E HN 0.765 nan 8.360 nan 0.000 0.491 957 T N -1.341 113.313 114.554 0.166 0.000 3.188 957 T HA 0.233 4.581 4.350 -0.003 0.000 0.250 957 T C 0.989 175.760 174.700 0.120 0.000 1.077 957 T CA 0.688 62.852 62.100 0.107 0.000 0.967 957 T CB -0.042 68.876 68.868 0.083 0.000 1.006 957 T HN 0.365 nan 8.240 nan 0.000 0.552 958 G N 1.709 110.622 108.800 0.188 0.000 2.157 958 G HA2 -0.214 3.744 3.960 -0.003 0.000 0.248 958 G HA3 -0.214 3.744 3.960 -0.003 0.000 0.248 958 G C -0.003 175.049 174.900 0.254 0.000 0.979 958 G CA -0.091 45.132 45.100 0.206 0.000 0.650 958 G HN 0.580 nan 8.290 nan 0.000 0.529 959 N N 0.522 119.365 118.700 0.237 0.000 2.420 959 N HA 0.445 5.183 4.740 -0.003 0.000 0.249 959 N C 0.198 175.897 175.510 0.315 0.000 1.033 959 N CA -0.309 52.886 53.050 0.242 0.000 0.944 959 N CB 0.968 39.577 38.487 0.203 0.000 1.113 959 N HN 0.481 nan 8.380 nan 0.000 0.502 960 L N 5.021 126.375 121.223 0.219 0.000 2.371 960 L HA 0.528 4.866 4.340 -0.003 0.000 0.272 960 L C -0.815 176.191 176.870 0.226 0.000 1.124 960 L CA -0.425 54.483 54.840 0.114 0.000 0.816 960 L CB 0.199 42.148 42.059 -0.183 0.000 1.129 960 L HN 0.518 nan 8.230 nan 0.000 0.448 961 F N 0.957 120.810 119.950 -0.161 0.000 2.713 961 F HA 0.488 5.013 4.527 -0.003 0.000 0.311 961 F C -1.081 174.546 175.800 -0.287 0.000 1.141 961 F CA -1.079 56.630 58.000 -0.485 0.000 0.939 961 F CB 0.954 39.925 39.000 -0.048 0.000 1.325 961 F HN 0.394 nan 8.300 nan 0.000 0.453 962 H N 1.751 120.560 119.070 -0.434 0.000 2.508 962 H HA 0.793 5.346 4.556 -0.003 0.000 0.344 962 H C -0.364 174.953 175.328 -0.017 0.000 1.192 962 H CA -0.413 55.534 56.048 -0.168 0.000 1.290 962 H CB 2.442 32.290 29.762 0.143 0.000 1.571 962 H HN 0.749 nan 8.280 nan 0.000 0.555 963 I N -2.243 118.139 120.570 -0.313 0.000 3.264 963 I HA 0.308 4.476 4.170 -0.003 0.000 0.315 963 I C -0.483 175.169 176.117 -0.776 0.000 1.154 963 I CA -0.970 60.093 61.300 -0.396 0.000 0.962 963 I CB 2.156 40.009 38.000 -0.244 0.000 1.265 963 I HN 0.513 nan 8.210 nan 0.000 0.463 964 D N 1.088 121.211 120.400 -0.462 0.000 2.716 964 D HA -0.212 4.426 4.640 -0.003 0.000 0.239 964 D C -0.018 176.113 176.300 -0.281 0.000 1.125 964 D CA 0.767 54.597 54.000 -0.282 0.000 0.681 964 D CB -1.034 39.633 40.800 -0.221 0.000 1.070 964 D HN 0.575 nan 8.370 nan 0.000 0.432 965 F N -0.333 119.678 119.950 0.102 0.000 2.772 965 F HA 0.211 4.736 4.527 -0.003 0.000 0.302 965 F C 2.213 178.032 175.800 0.033 0.000 1.225 965 F CA 0.372 58.421 58.000 0.081 0.000 1.429 965 F CB 0.039 39.090 39.000 0.085 0.000 1.104 965 F HN 0.173 nan 8.300 nan 0.000 0.550 966 G N 0.484 109.343 108.800 0.098 0.000 2.327 966 G HA2 0.040 3.998 3.960 -0.003 0.000 0.278 966 G HA3 0.040 3.998 3.960 -0.003 0.000 0.278 966 G C 0.034 175.000 174.900 0.110 0.000 1.145 966 G CA -0.068 45.061 45.100 0.048 0.000 1.097 966 G HN 0.315 nan 8.290 nan 0.000 0.430 982 R N -0.246 120.234 120.500 -0.033 0.000 2.947 982 R HA 0.866 5.204 4.340 -0.003 0.000 0.253 982 R C -1.267 175.038 176.300 0.008 0.000 1.208 982 R CA -1.160 54.944 56.100 0.006 0.000 1.012 982 R CB 1.659 31.989 30.300 0.050 0.000 1.267 982 R HN 0.435 nan 8.270 nan 0.000 0.473 983 V N 1.669 121.608 119.914 0.042 0.000 3.077 983 V HA 0.270 4.388 4.120 -0.003 0.000 0.299 983 V C -1.829 174.258 176.094 -0.013 0.000 1.276 983 V CA -1.628 60.656 62.300 -0.026 0.000 0.993 983 V CB 2.705 34.514 31.823 -0.022 0.000 1.076 983 V HN 0.589 nan 8.190 nan 0.000 0.434 984 P HA 0.020 nan 4.420 nan 0.000 0.215 984 P C -0.025 177.317 177.300 0.070 0.000 1.157 984 P CA 1.543 64.535 63.100 -0.180 0.000 0.863 984 P CB 0.066 31.339 31.700 -0.712 0.000 0.787 985 F N -4.140 115.844 119.950 0.057 0.000 2.985 985 F HA 0.551 5.076 4.527 -0.003 0.000 0.322 985 F C -1.215 174.657 175.800 0.119 0.000 1.187 985 F CA -1.733 56.365 58.000 0.163 0.000 0.910 985 F CB 0.403 39.528 39.000 0.209 0.000 1.411 985 F HN -0.479 nan 8.300 nan 0.000 0.492 986 V N 2.575 122.777 119.914 0.481 0.000 2.320 986 V HA 0.425 4.543 4.120 -0.003 0.000 0.265 986 V C -0.864 175.327 176.094 0.162 0.000 1.048 986 V CA -0.179 62.247 62.300 0.210 0.000 0.865 986 V CB 0.660 32.581 31.823 0.162 0.000 1.043 986 V HN 0.593 nan 8.190 nan 0.000 0.474 987 L N 7.048 128.246 121.223 -0.042 0.000 2.488 987 L HA 0.471 4.809 4.340 -0.003 0.000 0.250 987 L C 0.653 177.258 176.870 -0.443 0.000 1.280 987 L CA -0.033 54.741 54.840 -0.109 0.000 0.929 987 L CB 1.036 43.218 42.059 0.206 0.000 1.200 987 L HN 0.707 nan 8.230 nan 0.000 0.495 988 T N 0.355 114.350 114.554 -0.932 0.000 2.813 988 T HA 0.358 4.706 4.350 -0.003 0.000 0.297 988 T C -1.810 172.485 174.700 -0.674 0.000 1.036 988 T CA -1.298 60.251 62.100 -0.919 0.000 1.044 988 T CB 0.562 68.793 68.868 -1.062 0.000 0.993 988 T HN 0.286 nan 8.240 nan 0.000 0.535 989 P HA -0.094 nan 4.420 nan 0.000 0.219 989 P C 1.291 178.588 177.300 -0.005 0.000 1.146 989 P CA 0.976 63.861 63.100 -0.357 0.000 0.808 989 P CB -0.067 31.407 31.700 -0.377 0.000 0.779 990 D N -1.081 119.356 120.400 0.062 0.000 2.178 990 D HA -0.191 4.447 4.640 -0.003 0.000 0.201 990 D C 1.637 178.167 176.300 0.383 0.000 0.980 990 D CA 1.187 55.370 54.000 0.306 0.000 0.842 990 D CB -1.198 39.854 40.800 0.420 0.000 0.948 990 D HN 0.094 nan 8.370 nan 0.000 0.472 991 F N 1.068 121.059 119.950 0.068 0.000 2.060 991 F HA 0.072 4.597 4.527 -0.003 0.000 0.295 991 F C 2.598 178.461 175.800 0.105 0.000 1.120 991 F CA 0.199 58.292 58.000 0.155 0.000 1.205 991 F CB -1.224 37.935 39.000 0.265 0.000 0.986 991 F HN -0.070 nan 8.300 nan 0.000 0.470 992 L N -1.474 119.888 121.223 0.231 0.000 2.189 992 L HA -0.258 4.080 4.340 -0.003 0.000 0.214 992 L C 2.404 179.308 176.870 0.057 0.000 1.097 992 L CA 1.030 55.897 54.840 0.044 0.000 0.764 992 L CB -0.749 41.229 42.059 -0.136 0.000 0.900 992 L HN 0.029 nan 8.230 nan 0.000 0.436 993 F N -0.295 119.667 119.950 0.020 0.000 2.146 993 F HA -0.185 4.340 4.527 -0.003 0.000 0.298 993 F C 2.265 178.077 175.800 0.020 0.000 1.096 993 F CA 1.323 59.338 58.000 0.025 0.000 1.275 993 F CB -0.045 38.989 39.000 0.057 0.000 1.008 993 F HN -0.254 nan 8.300 nan 0.000 0.480 994 V N 0.351 120.376 119.914 0.185 0.000 2.469 994 V HA -0.344 3.774 4.120 -0.003 0.000 0.251 994 V C 2.142 178.226 176.094 -0.016 0.000 1.064 994 V CA 2.095 64.407 62.300 0.020 0.000 1.066 994 V CB -0.634 31.025 31.823 -0.273 0.000 0.667 994 V HN 0.377 nan 8.190 nan 0.000 0.461 995 M N -1.014 118.610 119.600 0.041 0.000 2.506 995 M HA 0.230 4.708 4.480 -0.003 0.000 0.260 995 M C 1.773 178.122 176.300 0.082 0.000 1.104 995 M CA 1.212 56.572 55.300 0.100 0.000 1.112 995 M CB 0.376 33.092 32.600 0.194 0.000 1.401 995 M HN 0.527 nan 8.290 nan 0.000 0.473 996 G N -0.378 108.381 108.800 -0.067 0.000 2.391 996 G HA2 -0.174 3.784 3.960 -0.003 0.000 0.204 996 G HA3 -0.174 3.784 3.960 -0.003 0.000 0.204 996 G C 0.389 175.155 174.900 -0.223 0.000 1.012 996 G CA -0.108 44.908 45.100 -0.139 0.000 0.651 996 G HN 0.349 nan 8.290 nan 0.000 0.494 997 T N 1.512 115.949 114.554 -0.196 0.000 2.802 997 T HA 0.473 4.821 4.350 -0.003 0.000 0.305 997 T C 0.826 175.394 174.700 -0.219 0.000 1.053 997 T CA 1.162 63.118 62.100 -0.240 0.000 1.058 997 T CB 1.149 69.771 68.868 -0.409 0.000 0.988 997 T HN 1.453 nan 8.240 nan 0.000 0.539 998 S N -0.593 115.017 115.700 -0.150 0.000 2.680 998 S HA 0.541 5.009 4.470 -0.003 0.000 0.153 998 S C 0.120 174.699 174.600 -0.035 0.000 1.224 998 S CA -0.352 57.825 58.200 -0.038 0.000 1.197 998 S CB 0.085 63.299 63.200 0.025 0.000 1.634 998 S HN 1.518 nan 8.310 nan 0.000 0.422 999 G N 2.020 110.767 108.800 -0.089 0.000 2.860 999 G HA2 0.035 3.993 3.960 -0.003 0.000 0.547 999 G HA3 0.035 3.993 3.960 -0.003 0.000 0.547 999 G C -0.106 174.740 174.900 -0.091 0.000 1.103 999 G CA -0.582 44.469 45.100 -0.081 0.000 1.126 999 G HN 0.766 nan 8.290 nan 0.000 0.490 1000 K N -0.078 120.248 120.400 -0.125 0.000 3.619 1000 K HA -0.190 4.127 4.320 -0.003 0.000 0.275 1000 K C 0.384 176.931 176.600 -0.088 0.000 0.993 1000 K CA 1.926 58.152 56.287 -0.101 0.000 0.787 1000 K CB -0.859 31.602 32.500 -0.066 0.000 1.431 1000 K HN 0.987 nan 8.250 nan 0.000 0.451 1001 K N -0.429 119.895 120.400 -0.126 0.000 2.175 1001 K HA 0.518 4.836 4.320 -0.003 0.000 0.257 1001 K C -1.029 175.512 176.600 -0.099 0.000 1.026 1001 K CA -0.654 55.577 56.287 -0.093 0.000 0.866 1001 K CB 1.829 34.273 32.500 -0.093 0.000 1.474 1001 K HN 0.080 nan 8.250 nan 0.000 0.442 1002 T N 1.032 115.565 114.554 -0.036 0.000 3.293 1002 T HA 0.240 4.588 4.350 -0.003 0.000 0.320 1002 T C -1.234 173.510 174.700 0.072 0.000 0.995 1002 T CA -0.777 61.360 62.100 0.063 0.000 1.041 1002 T CB 1.197 70.137 68.868 0.120 0.000 1.058 1002 T HN 0.634 nan 8.240 nan 0.000 0.453 1003 S N 3.077 118.848 115.700 0.119 0.000 2.722 1003 S HA 0.641 5.109 4.470 -0.003 0.000 0.292 1003 S C -2.029 172.652 174.600 0.136 0.000 1.135 1003 S CA -1.589 56.671 58.200 0.101 0.000 1.003 1003 S CB 1.512 64.763 63.200 0.084 0.000 1.067 1003 S HN 0.253 nan 8.310 nan 0.000 0.546 1004 P HA -0.115 nan 4.420 nan 0.000 0.215 1004 P C 1.281 178.584 177.300 0.006 0.000 1.157 1004 P CA 1.360 64.463 63.100 0.005 0.000 0.868 1004 P CB -0.120 31.536 31.700 -0.073 0.000 0.788 1005 H N -2.434 116.699 119.070 0.105 0.000 2.423 1005 H HA -0.047 4.507 4.556 -0.003 0.000 0.297 1005 H C 1.877 177.314 175.328 0.182 0.000 1.075 1005 H CA 1.018 57.140 56.048 0.122 0.000 1.342 1005 H CB -0.717 29.119 29.762 0.123 0.000 1.395 1005 H HN 0.118 nan 8.280 nan 0.000 0.530 1006 F N 2.055 122.105 119.950 0.166 0.000 2.186 1006 F HA -0.143 4.382 4.527 -0.003 0.000 0.299 1006 F C 2.405 178.307 175.800 0.171 0.000 1.090 1006 F CA 0.989 59.073 58.000 0.140 0.000 1.307 1006 F CB -0.092 38.934 39.000 0.044 0.000 1.019 1006 F HN 0.050 nan 8.300 nan 0.000 0.489 1007 Q N 0.352 120.194 119.800 0.069 0.000 2.045 1007 Q HA -0.305 4.033 4.340 -0.003 0.000 0.206 1007 Q C 2.304 178.254 176.000 -0.083 0.000 0.991 1007 Q CA 2.334 58.113 55.803 -0.040 0.000 0.851 1007 Q CB -0.404 28.344 28.738 0.016 0.000 0.911 1007 Q HN 0.385 nan 8.270 nan 0.000 0.418 1008 K N 0.224 120.608 120.400 -0.027 0.000 2.034 1008 K HA -0.247 4.071 4.320 -0.003 0.000 0.214 1008 K C 1.888 178.419 176.600 -0.115 0.000 1.051 1008 K CA 1.765 58.018 56.287 -0.057 0.000 0.931 1008 K CB -0.344 32.159 32.500 0.006 0.000 0.715 1008 K HN 0.153 nan 8.250 nan 0.000 0.446 1009 F N 1.814 121.641 119.950 -0.204 0.000 2.065 1009 F HA -0.310 4.215 4.527 -0.003 0.000 0.298 1009 F C 2.229 177.859 175.800 -0.284 0.000 1.112 1009 F CA 2.019 59.876 58.000 -0.238 0.000 1.212 1009 F CB -0.323 38.579 39.000 -0.163 0.000 0.975 1009 F HN 0.183 nan 8.300 nan 0.000 0.476 1010 Q N -0.239 119.426 119.800 -0.224 0.000 2.061 1010 Q HA -0.262 4.076 4.340 -0.003 0.000 0.204 1010 Q C 2.074 177.934 176.000 -0.233 0.000 0.984 1010 Q CA 1.760 57.418 55.803 -0.242 0.000 0.846 1010 Q CB -0.553 28.036 28.738 -0.249 0.000 0.902 1010 Q HN 0.467 nan 8.270 nan 0.000 0.421 1011 D N 0.755 121.034 120.400 -0.202 0.000 2.116 1011 D HA -0.173 4.465 4.640 -0.003 0.000 0.193 1011 D C 1.758 177.922 176.300 -0.227 0.000 0.998 1011 D CA 1.146 55.046 54.000 -0.166 0.000 0.836 1011 D CB -0.099 40.624 40.800 -0.129 0.000 0.951 1011 D HN 0.210 nan 8.370 nan 0.000 0.449 1012 I N 0.132 120.500 120.570 -0.337 0.000 2.113 1012 I HA -0.334 3.834 4.170 -0.003 0.000 0.238 1012 I C 2.838 178.691 176.117 -0.441 0.000 1.070 1012 I CA 0.803 61.851 61.300 -0.419 0.000 1.332 1012 I CB -0.404 37.241 38.000 -0.592 0.000 1.044 1012 I HN 0.130 nan 8.210 nan 0.000 0.402 1013 C N 0.251 119.235 119.300 -0.528 0.000 2.396 1013 C HA -0.157 4.301 4.460 -0.003 0.000 0.277 1013 C C 2.872 177.635 174.990 -0.378 0.000 1.231 1013 C CA 0.779 59.511 59.018 -0.476 0.000 1.775 1013 C CB -0.931 26.605 27.740 -0.339 0.000 2.036 1013 C HN 0.391 nan 8.230 nan 0.000 0.484 1014 V N 0.489 120.265 119.914 -0.231 0.000 2.346 1014 V HA -0.161 3.957 4.120 -0.003 0.000 0.244 1014 V C 2.384 178.410 176.094 -0.113 0.000 1.037 1014 V CA 1.699 63.930 62.300 -0.115 0.000 1.029 1014 V CB -0.587 31.215 31.823 -0.034 0.000 0.663 1014 V HN 0.542 nan 8.190 nan 0.000 0.454 1015 K N 0.846 121.161 120.400 -0.141 0.000 2.001 1015 K HA -0.240 4.078 4.320 -0.003 0.000 0.214 1015 K C 2.343 178.861 176.600 -0.136 0.000 1.050 1015 K CA 1.862 58.077 56.287 -0.120 0.000 0.934 1015 K CB -0.611 31.811 32.500 -0.131 0.000 0.718 1015 K HN 0.453 nan 8.250 nan 0.000 0.443 1016 A N 0.929 123.587 122.820 -0.271 0.000 1.883 1016 A HA -0.235 4.083 4.320 -0.003 0.000 0.217 1016 A C 2.148 179.746 177.584 0.024 0.000 1.186 1016 A CA 1.674 53.519 52.037 -0.319 0.000 0.624 1016 A CB -0.911 17.663 19.000 -0.710 0.000 0.822 1016 A HN 0.439 nan 8.150 nan 0.000 0.444 1017 Y N 0.511 120.640 120.300 -0.286 0.000 2.128 1017 Y HA -0.171 4.377 4.550 -0.003 0.000 0.284 1017 Y C 2.019 177.835 175.900 -0.140 0.000 1.154 1017 Y CA 1.711 59.644 58.100 -0.278 0.000 1.149 1017 Y CB -0.492 37.623 38.460 -0.575 0.000 0.976 1017 Y HN 0.227 nan 8.280 nan 0.000 0.505 1018 L N -0.604 120.479 121.223 -0.232 0.000 2.017 1018 L HA -0.213 4.125 4.340 -0.003 0.000 0.208 1018 L C 2.780 179.410 176.870 -0.400 0.000 1.073 1018 L CA 1.224 55.851 54.840 -0.356 0.000 0.745 1018 L CB -1.102 40.823 42.059 -0.224 0.000 0.894 1018 L HN 0.277 nan 8.230 nan 0.000 0.432 1019 A N 0.060 122.806 122.820 -0.123 0.000 1.948 1019 A HA -0.197 4.121 4.320 -0.003 0.000 0.220 1019 A C 2.254 179.907 177.584 0.115 0.000 1.177 1019 A CA 1.559 53.657 52.037 0.101 0.000 0.636 1019 A CB -0.706 18.506 19.000 0.353 0.000 0.815 1019 A HN 0.388 nan 8.150 nan 0.000 0.449 1020 L N -1.415 119.846 121.223 0.064 0.000 2.156 1020 L HA -0.131 4.207 4.340 -0.003 0.000 0.208 1020 L C 2.750 179.569 176.870 -0.084 0.000 1.095 1020 L CA 1.176 56.005 54.840 -0.019 0.000 0.770 1020 L CB -0.442 41.607 42.059 -0.017 0.000 0.914 1020 L HN 0.387 nan 8.230 nan 0.000 0.439 1021 R N -0.904 119.440 120.500 -0.260 0.000 2.189 1021 R HA -0.116 4.222 4.340 -0.003 0.000 0.223 1021 R C 1.827 178.036 176.300 -0.152 0.000 1.092 1021 R CA 0.709 56.646 56.100 -0.272 0.000 0.989 1021 R CB -0.381 29.664 30.300 -0.424 0.000 0.876 1021 R HN 0.504 nan 8.270 nan 0.000 0.457 1022 H N -0.905 118.105 119.070 -0.099 0.000 2.557 1022 H HA -0.053 4.500 4.556 -0.003 0.000 0.287 1022 H C 0.419 175.496 175.328 -0.419 0.000 1.043 1022 H CA 0.523 56.453 56.048 -0.196 0.000 1.226 1022 H CB 0.158 29.829 29.762 -0.152 0.000 1.361 1022 H HN 0.289 nan 8.280 nan 0.000 0.592 1023 H N -1.278 117.798 119.070 0.010 0.000 2.767 1023 H HA 0.097 4.651 4.556 -0.003 0.000 0.235 1023 H C 0.920 176.220 175.328 -0.046 0.000 1.256 1023 H CA -0.013 56.021 56.048 -0.024 0.000 0.957 1023 H CB 0.749 30.483 29.762 -0.046 0.000 2.117 1023 H HN 0.230 nan 8.280 nan 0.000 0.602 1024 T N 0.893 115.452 114.554 0.009 0.000 2.607 1024 T HA -0.193 4.155 4.350 -0.003 0.000 0.267 1024 T C 1.954 176.656 174.700 0.004 0.000 1.049 1024 T CA 1.808 63.896 62.100 -0.020 0.000 1.162 1024 T CB 0.026 68.864 68.868 -0.049 0.000 0.863 1024 T HN 0.392 nan 8.240 nan 0.000 0.424 1025 N N 0.874 119.581 118.700 0.010 0.000 2.037 1025 N HA -0.085 4.653 4.740 -0.003 0.000 0.196 1025 N C 1.744 177.280 175.510 0.042 0.000 1.034 1025 N CA 1.001 54.067 53.050 0.027 0.000 0.861 1025 N CB -0.579 37.921 38.487 0.022 0.000 1.039 1025 N HN 0.216 nan 8.380 nan 0.000 0.427 1026 L N 0.409 121.664 121.223 0.055 0.000 1.990 1026 L HA -0.209 4.129 4.340 -0.003 0.000 0.213 1026 L C 1.834 178.742 176.870 0.063 0.000 1.072 1026 L CA 1.539 56.416 54.840 0.062 0.000 0.755 1026 L CB -0.411 41.705 42.059 0.095 0.000 0.889 1026 L HN 0.279 nan 8.230 nan 0.000 0.432 1027 L N -0.577 120.674 121.223 0.046 0.000 2.056 1027 L HA -0.255 4.083 4.340 -0.003 0.000 0.207 1027 L C 2.509 179.431 176.870 0.088 0.000 1.078 1027 L CA 1.186 56.048 54.840 0.036 0.000 0.749 1027 L CB -0.418 41.623 42.059 -0.029 0.000 0.901 1027 L HN 0.249 nan 8.230 nan 0.000 0.433 1028 I N -0.528 120.085 120.570 0.072 0.000 2.208 1028 I HA -0.301 3.867 4.170 -0.003 0.000 0.245 1028 I C 2.470 178.681 176.117 0.157 0.000 1.097 1028 I CA 1.186 62.559 61.300 0.122 0.000 1.363 1028 I CB -0.149 37.895 38.000 0.074 0.000 1.051 1028 I HN 0.208 nan 8.210 nan 0.000 0.413 1029 I N 0.568 121.203 120.570 0.107 0.000 2.233 1029 I HA -0.204 3.964 4.170 -0.003 0.000 0.243 1029 I C 2.231 178.410 176.117 0.103 0.000 1.093 1029 I CA 1.559 62.913 61.300 0.090 0.000 1.380 1029 I CB -0.276 37.761 38.000 0.062 0.000 1.067 1029 I HN 0.058 nan 8.210 nan 0.000 0.413 1030 L N -0.818 120.475 121.223 0.117 0.000 1.989 1030 L HA -0.263 4.075 4.340 -0.003 0.000 0.211 1030 L C 2.543 179.500 176.870 0.144 0.000 1.071 1030 L CA 1.837 56.751 54.840 0.123 0.000 0.749 1030 L CB -0.999 41.135 42.059 0.124 0.000 0.890 1030 L HN 0.256 nan 8.230 nan 0.000 0.431 1031 F N 1.431 121.389 119.950 0.013 0.000 2.065 1031 F HA -0.315 4.209 4.527 -0.003 0.000 0.298 1031 F C 2.917 178.726 175.800 0.016 0.000 1.112 1031 F CA 1.901 59.907 58.000 0.010 0.000 1.212 1031 F CB -0.499 38.511 39.000 0.017 0.000 0.975 1031 F HN 0.163 nan 8.300 nan 0.000 0.476 1032 S N 0.023 115.736 115.700 0.021 0.000 2.402 1032 S HA -0.236 4.232 4.470 -0.003 0.000 0.229 1032 S C 2.113 176.647 174.600 -0.109 0.000 1.021 1032 S CA 1.382 59.515 58.200 -0.113 0.000 0.974 1032 S CB -0.775 62.431 63.200 0.012 0.000 0.800 1032 S HN 0.519 nan 8.310 nan 0.000 0.484 1033 M N 0.599 120.186 119.600 -0.023 0.000 2.132 1033 M HA 0.004 4.482 4.480 -0.003 0.000 0.263 1033 M C 2.485 178.792 176.300 0.011 0.000 1.065 1033 M CA 1.663 56.994 55.300 0.052 0.000 1.122 1033 M CB -0.486 32.182 32.600 0.115 0.000 1.365 1033 M HN 0.461 nan 8.290 nan 0.000 0.411 1034 M N 0.826 120.388 119.600 -0.064 0.000 2.073 1034 M HA -0.275 4.203 4.480 -0.003 0.000 0.258 1034 M C 1.898 178.097 176.300 -0.169 0.000 1.070 1034 M CA 1.875 57.104 55.300 -0.119 0.000 1.103 1034 M CB -0.169 32.348 32.600 -0.139 0.000 1.321 1034 M HN 0.237 nan 8.290 nan 0.000 0.405 1035 L N -0.556 120.502 121.223 -0.275 0.000 2.083 1035 L HA -0.225 4.113 4.340 -0.003 0.000 0.209 1035 L C 2.526 179.322 176.870 -0.123 0.000 1.083 1035 L CA 1.369 56.059 54.840 -0.251 0.000 0.752 1035 L CB -0.582 41.260 42.059 -0.362 0.000 0.899 1035 L HN 0.491 nan 8.230 nan 0.000 0.433 1036 M N -0.844 118.716 119.600 -0.067 0.000 2.236 1036 M HA -0.107 4.371 4.480 -0.003 0.000 0.266 1036 M C 2.074 178.388 176.300 0.024 0.000 1.070 1036 M CA 1.997 57.305 55.300 0.015 0.000 1.137 1036 M CB -0.251 32.416 32.600 0.111 0.000 1.378 1036 M HN 0.338 nan 8.290 nan 0.000 0.426 1037 T N -3.841 110.714 114.554 0.002 0.000 3.069 1037 T HA 0.280 4.628 4.350 -0.003 0.000 0.252 1037 T C 1.291 175.934 174.700 -0.094 0.000 1.053 1037 T CA 0.498 62.553 62.100 -0.075 0.000 0.964 1037 T CB 0.322 69.106 68.868 -0.140 0.000 1.005 1037 T HN 0.374 nan 8.240 nan 0.000 0.532 1038 G N 0.805 109.553 108.800 -0.085 0.000 2.659 1038 G HA2 0.373 4.331 3.960 -0.003 0.000 0.197 1038 G HA3 0.373 4.331 3.960 -0.003 0.000 0.197 1038 G C 0.439 175.287 174.900 -0.087 0.000 1.099 1038 G CA -0.268 44.773 45.100 -0.098 0.000 0.759 1038 G HN 0.256 nan 8.290 nan 0.000 0.715 1039 M N 1.030 120.591 119.600 -0.065 0.000 2.531 1039 M HA 0.433 4.911 4.480 -0.003 0.000 0.262 1039 M C -1.917 174.402 176.300 0.032 0.000 1.168 1039 M CA -2.836 52.457 55.300 -0.011 0.000 0.926 1039 M CB -0.229 32.386 32.600 0.026 0.000 1.445 1039 M HN -0.113 nan 8.290 nan 0.000 0.531 1040 P HA 0.039 nan 4.420 nan 0.000 0.288 1040 P C -0.796 176.533 177.300 0.048 0.000 1.291 1040 P CA -0.381 62.766 63.100 0.079 0.000 0.766 1040 P CB 0.135 31.900 31.700 0.108 0.000 1.242 1041 Q N 0.200 120.035 119.800 0.060 0.000 2.271 1041 Q HA 0.209 4.547 4.340 -0.003 0.000 0.273 1041 Q C -0.246 175.791 176.000 0.062 0.000 1.051 1041 Q CA -0.391 55.463 55.803 0.086 0.000 0.901 1041 Q CB -0.122 28.700 28.738 0.140 0.000 1.174 1041 Q HN 0.258 nan 8.270 nan 0.000 0.385 1042 L N 2.156 123.363 121.223 -0.026 0.000 2.332 1042 L HA 0.633 4.971 4.340 -0.003 0.000 0.269 1042 L C -0.331 176.286 176.870 -0.422 0.000 1.016 1042 L CA -0.799 53.956 54.840 -0.142 0.000 0.809 1042 L CB 0.515 42.486 42.059 -0.147 0.000 1.280 1042 L HN 0.658 nan 8.230 nan 0.000 0.447 1043 T N -1.840 112.492 114.554 -0.371 0.000 2.776 1043 T HA 0.092 4.440 4.350 -0.003 0.000 0.292 1043 T C 1.032 175.462 174.700 -0.450 0.000 0.921 1043 T CA 0.022 61.808 62.100 -0.523 0.000 1.038 1043 T CB -0.034 68.709 68.868 -0.207 0.000 0.910 1043 T HN 0.704 nan 8.240 nan 0.000 0.536 1044 S N 2.360 117.669 115.700 -0.651 0.000 2.776 1044 S HA -0.033 4.435 4.470 -0.003 0.000 0.242 1044 S C 1.037 175.537 174.600 -0.168 0.000 0.977 1044 S CA 0.716 58.718 58.200 -0.330 0.000 0.985 1044 S CB -0.435 62.605 63.200 -0.266 0.000 0.782 1044 S HN 0.797 nan 8.310 nan 0.000 0.542 1045 K N -0.333 119.980 120.400 -0.145 0.000 2.641 1045 K HA 0.307 4.625 4.320 -0.003 0.000 0.222 1045 K C 1.870 178.457 176.600 -0.022 0.000 1.474 1045 K CA -0.194 56.062 56.287 -0.052 0.000 0.873 1045 K CB -0.450 32.036 32.500 -0.024 0.000 1.817 1045 K HN -0.099 nan 8.250 nan 0.000 0.419 1046 E N 1.776 121.960 120.200 -0.026 0.000 2.086 1046 E HA -0.261 4.087 4.350 -0.003 0.000 0.200 1046 E C 1.250 177.882 176.600 0.052 0.000 1.012 1046 E CA 1.748 58.158 56.400 0.017 0.000 0.812 1046 E CB -0.141 29.564 29.700 0.007 0.000 0.743 1046 E HN 0.246 nan 8.360 nan 0.000 0.453 1047 D N 0.011 120.422 120.400 0.018 0.000 2.097 1047 D HA -0.134 4.504 4.640 -0.003 0.000 0.197 1047 D C 2.073 178.483 176.300 0.184 0.000 0.984 1047 D CA 0.806 54.844 54.000 0.064 0.000 0.826 1047 D CB -0.115 40.672 40.800 -0.021 0.000 0.973 1047 D HN 0.225 nan 8.370 nan 0.000 0.460 1048 I N 0.951 121.610 120.570 0.149 0.000 2.315 1048 I HA -0.164 4.004 4.170 -0.003 0.000 0.248 1048 I C 2.295 178.595 176.117 0.305 0.000 1.117 1048 I CA 0.805 62.289 61.300 0.307 0.000 1.404 1048 I CB -1.350 36.747 38.000 0.162 0.000 1.071 1048 I HN -0.065 nan 8.210 nan 0.000 0.419 1049 E N 1.036 121.343 120.200 0.178 0.000 2.169 1049 E HA -0.304 4.044 4.350 -0.003 0.000 0.202 1049 E C 2.166 178.842 176.600 0.126 0.000 1.016 1049 E CA 1.560 58.034 56.400 0.122 0.000 0.817 1049 E CB -0.674 29.079 29.700 0.087 0.000 0.736 1049 E HN 0.574 nan 8.360 nan 0.000 0.462 1050 Y N 0.388 120.732 120.300 0.075 0.000 2.102 1050 Y HA -0.297 4.251 4.550 -0.003 0.000 0.280 1050 Y C 2.184 178.053 175.900 -0.053 0.000 1.178 1050 Y CA 2.216 60.339 58.100 0.039 0.000 1.146 1050 Y CB -0.363 38.142 38.460 0.075 0.000 0.968 1050 Y HN 0.205 nan 8.280 nan 0.000 0.504 1051 I N 0.217 120.827 120.570 0.066 0.000 2.252 1051 I HA -0.306 3.862 4.170 -0.003 0.000 0.245 1051 I C 2.751 178.741 176.117 -0.212 0.000 1.102 1051 I CA 1.766 62.949 61.300 -0.196 0.000 1.385 1051 I CB -0.395 37.295 38.000 -0.517 0.000 1.064 1051 I HN 0.320 nan 8.210 nan 0.000 0.414 1052 R N 1.116 121.551 120.500 -0.109 0.000 2.113 1052 R HA -0.267 4.071 4.340 -0.003 0.000 0.244 1052 R C 1.821 178.029 176.300 -0.153 0.000 1.142 1052 R CA 2.629 58.671 56.100 -0.096 0.000 0.953 1052 R CB -0.666 29.611 30.300 -0.039 0.000 0.860 1052 R HN 0.448 nan 8.270 nan 0.000 0.438 1053 D N 0.313 120.589 120.400 -0.206 0.000 2.117 1053 D HA -0.146 4.492 4.640 -0.003 0.000 0.198 1053 D C 1.926 178.052 176.300 -0.290 0.000 0.982 1053 D CA 1.555 55.410 54.000 -0.242 0.000 0.828 1053 D CB -0.348 40.307 40.800 -0.241 0.000 0.967 1053 D HN 0.502 nan 8.370 nan 0.000 0.464 1054 A N 1.136 123.698 122.820 -0.431 0.000 1.940 1054 A HA -0.111 4.207 4.320 -0.003 0.000 0.219 1054 A C 2.306 179.831 177.584 -0.099 0.000 1.176 1054 A CA 0.907 52.673 52.037 -0.452 0.000 0.631 1054 A CB -0.693 17.838 19.000 -0.782 0.000 0.814 1054 A HN 0.194 nan 8.150 nan 0.000 0.446 1055 L N -1.235 119.928 121.223 -0.099 0.000 2.558 1055 L HA 0.025 4.363 4.340 -0.003 0.000 0.225 1055 L C 1.182 178.038 176.870 -0.023 0.000 1.128 1055 L CA 0.704 55.536 54.840 -0.013 0.000 0.868 1055 L CB -0.223 41.773 42.059 -0.104 0.000 1.006 1055 L HN 0.460 nan 8.230 nan 0.000 0.454 1056 T N 0.201 114.708 114.554 -0.077 0.000 3.970 1056 T HA -0.148 4.200 4.350 -0.003 0.000 0.361 1056 T C 0.311 174.955 174.700 -0.094 0.000 0.758 1056 T CA -0.116 61.907 62.100 -0.128 0.000 1.940 1056 T CB -1.279 67.543 68.868 -0.077 0.000 1.821 1056 T HN 0.037 nan 8.240 nan 0.000 0.818 1057 V N 0.740 120.599 119.914 -0.091 0.000 3.061 1057 V HA 0.354 4.471 4.120 -0.003 0.000 0.306 1057 V C 2.094 178.155 176.094 -0.055 0.000 1.118 1057 V CA 1.064 63.323 62.300 -0.068 0.000 1.231 1057 V CB 0.471 32.261 31.823 -0.055 0.000 0.956 1057 V HN 1.505 nan 8.190 nan 0.000 0.499 1058 G N 2.160 110.936 108.800 -0.040 0.000 2.179 1058 G HA2 -0.217 3.741 3.960 -0.003 0.000 0.257 1058 G HA3 -0.217 3.741 3.960 -0.003 0.000 0.257 1058 G C 0.055 174.940 174.900 -0.026 0.000 1.010 1058 G CA 0.440 45.523 45.100 -0.028 0.000 0.736 1058 G HN 0.570 nan 8.290 nan 0.000 0.513 1059 K N 0.235 120.616 120.400 -0.031 0.000 2.350 1059 K HA 0.419 4.737 4.320 -0.003 0.000 0.241 1059 K C 0.434 177.027 176.600 -0.012 0.000 0.994 1059 K CA -0.901 55.375 56.287 -0.018 0.000 0.839 1059 K CB 1.173 33.662 32.500 -0.019 0.000 1.244 1059 K HN 0.345 nan 8.250 nan 0.000 0.443 1060 N N 0.045 118.747 118.700 0.003 0.000 2.408 1060 N HA 0.063 4.801 4.740 -0.003 0.000 0.260 1060 N C 0.409 175.927 175.510 0.014 0.000 1.242 1060 N CA -0.179 52.875 53.050 0.006 0.000 0.959 1060 N CB 0.919 39.415 38.487 0.014 0.000 1.201 1060 N HN 0.450 nan 8.380 nan 0.000 0.511 1061 E N -0.393 119.812 120.200 0.009 0.000 2.204 1061 E HA -0.172 4.176 4.350 -0.003 0.000 0.195 1061 E C 0.823 177.455 176.600 0.054 0.000 0.990 1061 E CA 1.076 57.482 56.400 0.010 0.000 0.821 1061 E CB 0.185 29.882 29.700 -0.005 0.000 0.750 1061 E HN 0.548 nan 8.360 nan 0.000 0.477 1062 E N 1.075 121.307 120.200 0.054 0.000 2.008 1062 E HA -0.148 4.200 4.350 -0.003 0.000 0.191 1062 E C 1.754 178.415 176.600 0.101 0.000 0.986 1062 E CA 0.787 57.230 56.400 0.071 0.000 0.807 1062 E CB -0.600 29.132 29.700 0.053 0.000 0.766 1062 E HN 0.190 nan 8.360 nan 0.000 0.450 1063 D N 0.993 121.446 120.400 0.088 0.000 2.172 1063 D HA -0.163 4.475 4.640 -0.003 0.000 0.196 1063 D C 1.731 178.135 176.300 0.174 0.000 0.999 1063 D CA 1.673 55.738 54.000 0.108 0.000 0.856 1063 D CB -0.106 40.734 40.800 0.067 0.000 0.934 1063 D HN 0.197 nan 8.370 nan 0.000 0.453 1064 A N 0.860 123.787 122.820 0.178 0.000 1.872 1064 A HA -0.161 4.157 4.320 -0.003 0.000 0.214 1064 A C 2.116 179.977 177.584 0.462 0.000 1.187 1064 A CA 1.550 53.776 52.037 0.316 0.000 0.614 1064 A CB -0.370 18.752 19.000 0.203 0.000 0.826 1064 A HN 0.139 nan 8.150 nan 0.000 0.442 1065 K N 0.020 120.607 120.400 0.312 0.000 2.026 1065 K HA -0.211 4.107 4.320 -0.003 0.000 0.208 1065 K C 2.256 179.018 176.600 0.270 0.000 1.048 1065 K CA 1.674 58.141 56.287 0.300 0.000 0.929 1065 K CB -0.192 32.413 32.500 0.175 0.000 0.713 1065 K HN 0.316 nan 8.250 nan 0.000 0.439 1066 K N 0.654 121.181 120.400 0.211 0.000 2.000 1066 K HA -0.274 4.044 4.320 -0.003 0.000 0.218 1066 K C 2.096 178.805 176.600 0.181 0.000 1.053 1066 K CA 2.167 58.553 56.287 0.165 0.000 0.946 1066 K CB -0.890 31.696 32.500 0.143 0.000 0.723 1066 K HN 0.341 nan 8.250 nan 0.000 0.446 1067 Y N 0.300 120.675 120.300 0.124 0.000 2.181 1067 Y HA -0.307 4.241 4.550 -0.003 0.000 0.284 1067 Y C 2.207 178.150 175.900 0.072 0.000 1.179 1067 Y CA 2.377 60.541 58.100 0.107 0.000 1.179 1067 Y CB -0.495 38.063 38.460 0.164 0.000 0.973 1067 Y HN 0.220 nan 8.280 nan 0.000 0.519 1068 F N -0.077 119.834 119.950 -0.065 0.000 2.098 1068 F HA -0.165 4.360 4.527 -0.003 0.000 0.294 1068 F C 2.063 177.742 175.800 -0.202 0.000 1.107 1068 F CA 1.585 59.419 58.000 -0.276 0.000 1.234 1068 F CB -0.786 38.030 39.000 -0.307 0.000 1.002 1068 F HN 0.016 nan 8.300 nan 0.000 0.472 1069 L N 0.200 121.414 121.223 -0.016 0.000 2.089 1069 L HA -0.315 4.023 4.340 -0.003 0.000 0.213 1069 L C 2.072 178.833 176.870 -0.182 0.000 1.079 1069 L CA 1.652 56.451 54.840 -0.068 0.000 0.758 1069 L CB -0.738 41.347 42.059 0.043 0.000 0.891 1069 L HN 0.152 nan 8.230 nan 0.000 0.433 1070 D N -0.971 119.300 120.400 -0.216 0.000 2.178 1070 D HA -0.165 4.473 4.640 -0.003 0.000 0.201 1070 D C 2.338 178.404 176.300 -0.390 0.000 0.980 1070 D CA 0.822 54.672 54.000 -0.250 0.000 0.842 1070 D CB -0.050 40.622 40.800 -0.214 0.000 0.948 1070 D HN 0.356 nan 8.370 nan 0.000 0.472 1071 Q N 0.447 119.881 119.800 -0.610 0.000 2.050 1071 Q HA -0.068 4.270 4.340 -0.003 0.000 0.202 1071 Q C 2.624 178.241 176.000 -0.638 0.000 0.980 1071 Q CA 0.494 55.848 55.803 -0.748 0.000 0.840 1071 Q CB -0.423 27.670 28.738 -1.075 0.000 0.898 1071 Q HN 0.427 nan 8.270 nan 0.000 0.424 1072 I N 1.235 121.508 120.570 -0.494 0.000 2.236 1072 I HA -0.283 3.885 4.170 -0.003 0.000 0.249 1072 I C 2.201 178.225 176.117 -0.154 0.000 1.102 1072 I CA 1.260 62.455 61.300 -0.175 0.000 1.365 1072 I CB -0.298 37.734 38.000 0.054 0.000 1.051 1072 I HN 0.216 nan 8.210 nan 0.000 0.420 1073 E N 0.471 120.566 120.200 -0.174 0.000 2.072 1073 E HA -0.116 4.232 4.350 -0.003 0.000 0.190 1073 E C 2.340 178.832 176.600 -0.181 0.000 0.982 1073 E CA 0.953 57.273 56.400 -0.134 0.000 0.803 1073 E CB -0.258 29.379 29.700 -0.106 0.000 0.755 1073 E HN 0.308 nan 8.360 nan 0.000 0.453 1074 V N 1.060 120.827 119.914 -0.244 0.000 2.982 1074 V HA -0.260 3.858 4.120 -0.003 0.000 0.265 1074 V C 2.260 178.205 176.094 -0.248 0.000 1.122 1074 V CA 1.210 63.370 62.300 -0.233 0.000 1.143 1074 V CB -0.748 30.918 31.823 -0.261 0.000 0.726 1074 V HN 0.300 nan 8.190 nan 0.000 0.507 1075 C N -0.294 118.828 119.300 -0.296 0.000 2.500 1075 C HA -0.024 4.433 4.460 -0.003 0.000 0.279 1075 C C 2.626 177.484 174.990 -0.219 0.000 1.288 1075 C CA 0.180 59.033 59.018 -0.276 0.000 1.710 1075 C CB -0.980 26.587 27.740 -0.288 0.000 2.052 1075 C HN 0.474 nan 8.230 nan 0.000 0.488 1076 R N 1.209 121.596 120.500 -0.188 0.000 2.316 1076 R HA -0.051 4.287 4.340 -0.003 0.000 0.202 1076 R C 0.853 177.066 176.300 -0.144 0.000 1.029 1076 R CA 0.810 56.805 56.100 -0.176 0.000 1.018 1076 R CB -0.363 29.842 30.300 -0.158 0.000 0.888 1076 R HN 0.636 nan 8.270 nan 0.000 0.471 1077 D N 0.242 120.562 120.400 -0.133 0.000 2.355 1077 D HA 0.018 4.656 4.640 -0.003 0.000 0.206 1077 D C 1.142 177.389 176.300 -0.088 0.000 1.010 1077 D CA 0.776 54.716 54.000 -0.100 0.000 0.875 1077 D CB 0.436 41.181 40.800 -0.091 0.000 0.966 1077 D HN 0.169 nan 8.370 nan 0.000 0.512 1078 K N 0.179 120.516 120.400 -0.106 0.000 2.355 1078 K HA 0.215 4.533 4.320 -0.003 0.000 0.198 1078 K C 1.450 178.006 176.600 -0.074 0.000 1.039 1078 K CA 0.312 56.557 56.287 -0.071 0.000 1.075 1078 K CB 1.502 33.963 32.500 -0.066 0.000 0.870 1078 K HN -0.014 nan 8.250 nan 0.000 0.540 1079 G N 2.136 110.833 108.800 -0.171 0.000 2.684 1079 G HA2 -0.336 3.622 3.960 -0.003 0.000 0.358 1079 G HA3 -0.336 3.622 3.960 -0.003 0.000 0.358 1079 G C 0.507 175.216 174.900 -0.317 0.000 1.164 1079 G CA 1.225 46.128 45.100 -0.328 0.000 0.935 1079 G HN 0.548 nan 8.290 nan 0.000 0.574 1080 W N 0.934 122.284 121.300 0.083 0.000 3.278 1080 W HA 0.392 5.050 4.660 -0.003 0.000 0.308 1080 W C 2.725 179.395 176.519 0.252 0.000 1.253 1080 W CA 0.409 57.875 57.345 0.202 0.000 1.759 1080 W CB 0.049 29.672 29.460 0.272 0.000 1.093 1080 W HN 0.386 nan 8.180 nan 0.000 0.648 1081 T N 0.583 115.336 114.554 0.331 0.000 2.652 1081 T HA -0.204 4.143 4.350 -0.003 0.000 0.267 1081 T C 1.783 176.654 174.700 0.285 0.000 1.039 1081 T CA 1.556 63.837 62.100 0.301 0.000 1.153 1081 T CB -0.463 68.494 68.868 0.149 0.000 0.863 1081 T HN -0.080 nan 8.240 nan 0.000 0.428 1082 V N 0.757 120.785 119.914 0.189 0.000 3.052 1082 V HA -0.015 4.103 4.120 -0.003 0.000 0.254 1082 V C 2.433 178.699 176.094 0.287 0.000 1.100 1082 V CA 0.961 63.311 62.300 0.083 0.000 1.112 1082 V CB -0.242 31.563 31.823 -0.029 0.000 0.738 1082 V HN 0.281 nan 8.190 nan 0.000 0.469 1083 Q N 0.195 120.293 119.800 0.497 0.000 2.020 1083 Q HA -0.208 4.130 4.340 -0.003 0.000 0.202 1083 Q C 1.974 178.429 176.000 0.758 0.000 0.982 1083 Q CA 2.192 58.424 55.803 0.714 0.000 0.838 1083 Q CB -0.610 28.560 28.738 0.721 0.000 0.899 1083 Q HN 0.585 nan 8.270 nan 0.000 0.423 1084 F N 1.009 121.272 119.950 0.522 0.000 2.126 1084 F HA -0.212 4.313 4.527 -0.003 0.000 0.299 1084 F C 1.873 177.752 175.800 0.131 0.000 1.096 1084 F CA 1.905 60.033 58.000 0.213 0.000 1.255 1084 F CB -0.618 38.417 39.000 0.057 0.000 0.997 1084 F HN 0.218 nan 8.300 nan 0.000 0.479 1085 N N -0.213 118.395 118.700 -0.154 0.000 2.289 1085 N HA -0.220 4.518 4.740 -0.003 0.000 0.184 1085 N C -0.118 175.277 175.510 -0.192 0.000 1.016 1085 N CA 0.401 53.247 53.050 -0.340 0.000 0.872 1085 N CB -0.525 37.823 38.487 -0.231 0.000 0.973 1085 N HN 0.348 nan 8.380 nan 0.000 0.433 1086 W N 0.918 122.215 121.300 -0.004 0.000 2.347 1086 W HA 0.083 4.741 4.660 -0.003 0.000 0.333 1086 W C 0.186 176.673 176.519 -0.053 0.000 1.383 1086 W CA -0.539 56.802 57.345 -0.005 0.000 1.283 1086 W CB -0.264 29.162 29.460 -0.056 0.000 1.253 1086 W HN -0.055 nan 8.180 nan 0.000 0.563 1087 F N 5.020 125.013 119.950 0.072 0.000 2.013 1087 F HA -0.253 4.272 4.527 -0.003 0.000 0.396 1087 F C 1.298 177.045 175.800 -0.088 0.000 0.967 1087 F CA -0.379 57.619 58.000 -0.003 0.000 0.879 1087 F CB -0.026 39.013 39.000 0.065 0.000 0.702 1087 F HN 0.279 nan 8.300 nan 0.000 0.480 1088 L N 4.681 125.818 121.223 -0.143 0.000 2.645 1088 L HA 0.007 4.345 4.340 -0.003 0.000 0.234 1088 L C 1.370 178.137 176.870 -0.172 0.000 1.165 1088 L CA 0.903 55.601 54.840 -0.237 0.000 0.944 1088 L CB -0.877 40.900 42.059 -0.470 0.000 1.149 1088 L HN 0.595 nan 8.230 nan 0.000 0.446 1089 H N -2.340 116.495 119.070 -0.391 0.000 2.506 1089 H HA 0.010 4.564 4.556 -0.003 0.000 0.289 1089 H C 1.892 177.070 175.328 -0.250 0.000 1.009 1089 H CA 0.558 56.271 56.048 -0.558 0.000 1.303 1089 H CB 0.684 29.590 29.762 -1.426 0.000 1.453 1089 H HN 0.187 nan 8.280 nan 0.000 0.526 1090 L N 0.823 122.040 121.223 -0.009 0.000 3.370 1090 L HA -0.376 3.962 4.340 -0.003 0.000 0.202 1090 L C 0.241 177.053 176.870 -0.097 0.000 4.089 1090 L CA 2.494 57.359 54.840 0.043 0.000 0.834 1090 L CB -1.074 41.017 42.059 0.054 0.000 3.243 1090 L HN 0.092 nan 8.230 nan 0.000 0.493 1091 V N 0.000 119.855 119.914 -0.098 0.000 2.409 1091 V HA 0.000 4.118 4.120 -0.003 0.000 0.244 1091 V CA 0.000 62.240 62.300 -0.100 0.000 1.235 1091 V CB 0.000 31.796 31.823 -0.045 0.000 1.184 1091 V HN 0.000 nan 8.190 nan 0.000 0.556