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 1e7v_1_A DATA FIRST_RESID 143 DATA SEQUENCE ASEETLAFQR QLNALIGYDV TDVSNVHDDE LEFTRRRLVT PRMAEVAGRD DATA SEQUENCE PKLYAMHPWV TSKPLPEYLL KKITNNCVFI VIHRSTTSQT IKVSADDTPG DATA SEQUENCE TILQSFFTKM AXXXXXXXXX XXXXXXDFVL RVCGRDEYLV GETPIKNFQW DATA SEQUENCE VRQCLKNGEE IHLVLDTPPD PALDEVRKEX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XLWDCDRKFR VKIRGIDIPV LPRTADLTVF VEANIQYGQQ DATA SEQUENCE VLCQRRTSPK PFTEEVLWNV WLEFSIKIKD LPKGALLNLQ IYCXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXQLLY YVNLLLIDHR FLLRHGEYVL HMWQLSXXXX DATA SEQUENCE XXXXFNADKL TSATNPDKEN SMSISILLDN YCHPIALPKX XXXXXXXXXX DATA SEQUENCE XXXEMPNQLR KQLEAIIATD PLNPLTAEDK ELLWHFRYES LKDPKAYPKL DATA SEQUENCE FSSVKWGQQE IVAKTYQLLA KREVWDQSAL DVGLTMQLLD CNFSDENVRA DATA SEQUENCE IAVQKLESLE DDDVLHYLLQ LVQAVKFEPY HDSALARFLL KRGLRNKRIG DATA SEQUENCE HFLFWFLRSE IAQSRHYQQR FAVILEAYLR GCGTAMLHDF TQQVQVIDML DATA SEQUENCE QKVTIDIKSL SAEKYDVSSQ VISQLKQKLE NLQNLNLPQS FRVPYDPGLK DATA SEQUENCE AGALVIEKCK VMASKKKPLW LEFKCADPTA LSNETIGIIF KHGDDLRQDM DATA SEQUENCE LILQILRIME SIWETESLDL CLLPYGCIST GDKIGMIEIV KDATTIAKIQ DATA SEQUENCE QSTVGNTGAF KDEVLSHWLK EKCPIEEKFQ AAVERFVYSC AGYCVATFVL DATA SEQUENCE GIGDRHNDNI MISETGNLFH IDFGHIXXXX XXXXXXNKER VPFVLTPDFL DATA SEQUENCE FVMGTSGKKT SLHFQKFQDV CVKAYLALRH HTNLLIILFS MMLMTGMPQL DATA SEQUENCE TSKEDIEYIR DALTVGKSEE DAKKYFLDQI EVCRDKGWTV QFNWFLHLVL DATA SEQUENCE GI 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 A HA 0.000 nan 4.320 nan 0.000 0.244 143 A C 0.000 177.592 177.584 0.013 0.000 1.274 143 A CA 0.000 52.046 52.037 0.015 0.000 0.836 143 A CB 0.000 19.007 19.000 0.011 0.000 0.831 144 S N 0.101 115.808 115.700 0.012 0.000 2.587 144 S HA 0.243 4.711 4.470 -0.004 0.000 0.252 144 S C 0.891 175.499 174.600 0.014 0.000 1.282 144 S CA 0.648 58.854 58.200 0.009 0.000 0.977 144 S CB 0.306 63.508 63.200 0.003 0.000 1.015 144 S HN 0.251 nan 8.310 nan 0.000 0.557 145 E N -0.160 120.048 120.200 0.012 0.000 2.340 145 E HA 0.019 4.367 4.350 -0.004 0.000 0.194 145 E C 1.784 178.400 176.600 0.026 0.000 0.996 145 E CA 0.132 56.542 56.400 0.017 0.000 0.869 145 E CB -0.080 29.627 29.700 0.012 0.000 0.835 145 E HN 0.571 nan 8.360 nan 0.000 0.493 146 E N 0.307 120.517 120.200 0.018 0.000 1.998 146 E HA -0.117 4.231 4.350 -0.004 0.000 0.196 146 E C 2.018 178.648 176.600 0.050 0.000 1.003 146 E CA 1.651 58.060 56.400 0.015 0.000 0.829 146 E CB -0.564 29.126 29.700 -0.017 0.000 0.777 146 E HN 0.171 nan 8.360 nan 0.000 0.460 147 T N 2.392 116.973 114.554 0.045 0.000 2.803 147 T HA -0.177 4.171 4.350 -0.004 0.000 0.269 147 T C 1.961 176.758 174.700 0.160 0.000 1.052 147 T CA 0.941 63.110 62.100 0.115 0.000 1.136 147 T CB -0.330 68.586 68.868 0.079 0.000 0.864 147 T HN -0.005 nan 8.240 nan 0.000 0.467 148 L N 1.342 122.619 121.223 0.090 0.000 2.012 148 L HA -0.030 4.308 4.340 -0.004 0.000 0.210 148 L C 2.667 179.582 176.870 0.075 0.000 1.073 148 L CA 1.967 56.847 54.840 0.067 0.000 0.748 148 L CB -0.914 41.168 42.059 0.038 0.000 0.891 148 L HN 0.257 nan 8.230 nan 0.000 0.431 149 A N -1.561 121.311 122.820 0.088 0.000 1.969 149 A HA -0.222 4.096 4.320 -0.004 0.000 0.218 149 A C 2.206 179.871 177.584 0.134 0.000 1.169 149 A CA 1.437 53.525 52.037 0.085 0.000 0.635 149 A CB -1.015 18.030 19.000 0.075 0.000 0.810 149 A HN 0.510 nan 8.150 nan 0.000 0.445 150 F N 0.848 120.799 119.950 0.001 0.000 2.102 150 F HA -0.207 4.318 4.527 -0.002 0.000 0.298 150 F C 2.348 178.151 175.800 0.005 0.000 1.105 150 F CA 2.250 60.253 58.000 0.004 0.000 1.239 150 F CB -0.630 38.371 39.000 0.002 0.000 0.991 150 F HN 0.333 nan 8.300 nan 0.000 0.474 151 Q N 0.889 120.670 119.800 -0.032 0.000 2.135 151 Q HA -0.230 4.108 4.340 -0.004 0.000 0.204 151 Q C 2.484 178.403 176.000 -0.136 0.000 0.981 151 Q CA 2.102 57.818 55.803 -0.145 0.000 0.856 151 Q CB -0.547 28.171 28.738 -0.033 0.000 0.902 151 Q HN 0.488 nan 8.270 nan 0.000 0.425 152 R N 0.052 120.513 120.500 -0.065 0.000 2.094 152 R HA -0.261 4.077 4.340 -0.004 0.000 0.239 152 R C 2.266 178.525 176.300 -0.068 0.000 1.137 152 R CA 2.161 58.229 56.100 -0.052 0.000 0.943 152 R CB -0.390 29.901 30.300 -0.014 0.000 0.850 152 R HN 0.672 nan 8.270 nan 0.000 0.433 153 Q N 0.155 119.912 119.800 -0.072 0.000 2.083 153 Q HA -0.113 4.225 4.340 -0.004 0.000 0.198 153 Q C 2.381 178.312 176.000 -0.114 0.000 0.969 153 Q CA 1.205 56.971 55.803 -0.063 0.000 0.838 153 Q CB -0.454 28.274 28.738 -0.017 0.000 0.900 153 Q HN 0.377 nan 8.270 nan 0.000 0.436 154 L N 1.298 122.376 121.223 -0.242 0.000 2.013 154 L HA -0.235 4.103 4.340 -0.004 0.000 0.212 154 L C 2.020 178.811 176.870 -0.132 0.000 1.073 154 L CA 1.505 56.196 54.840 -0.248 0.000 0.753 154 L CB -0.730 41.087 42.059 -0.404 0.000 0.890 154 L HN 0.408 nan 8.230 nan 0.000 0.432 155 N N 0.089 118.716 118.700 -0.121 0.000 2.381 155 N HA -0.123 4.615 4.740 -0.004 0.000 0.182 155 N C 1.717 177.191 175.510 -0.061 0.000 1.025 155 N CA 1.332 54.330 53.050 -0.088 0.000 0.888 155 N CB -0.224 38.199 38.487 -0.106 0.000 0.965 155 N HN 0.337 nan 8.380 nan 0.000 0.438 156 A N 0.542 123.331 122.820 -0.051 0.000 2.016 156 A HA 0.105 4.423 4.320 -0.004 0.000 0.217 156 A C 2.269 179.850 177.584 -0.004 0.000 1.162 156 A CA 0.440 52.464 52.037 -0.022 0.000 0.662 156 A CB -0.307 18.686 19.000 -0.011 0.000 0.812 156 A HN 0.160 nan 8.150 nan 0.000 0.450 157 L N -0.204 121.016 121.223 -0.005 0.000 2.162 157 L HA -0.040 4.298 4.340 -0.004 0.000 0.205 157 L C 2.130 178.964 176.870 -0.061 0.000 1.086 157 L CA 0.360 55.220 54.840 0.034 0.000 0.778 157 L CB -0.205 41.911 42.059 0.097 0.000 0.928 157 L HN 0.299 nan 8.230 nan 0.000 0.446 158 I N -0.188 120.326 120.570 -0.093 0.000 2.286 158 I HA -0.062 4.106 4.170 -0.004 0.000 0.245 158 I C 1.787 177.847 176.117 -0.094 0.000 1.104 158 I CA 1.523 62.733 61.300 -0.149 0.000 1.397 158 I CB -1.516 36.451 38.000 -0.055 0.000 1.072 158 I HN 0.444 nan 8.210 nan 0.000 0.417 159 G N 0.200 108.986 108.800 -0.024 0.000 2.141 159 G HA2 -0.293 3.665 3.960 -0.004 0.000 0.231 159 G HA3 -0.293 3.665 3.960 -0.004 0.000 0.231 159 G C -0.010 174.951 174.900 0.101 0.000 0.984 159 G CA 0.249 45.362 45.100 0.022 0.000 0.660 159 G HN 0.442 nan 8.290 nan 0.000 0.525 160 Y N 0.006 120.277 120.300 -0.048 0.000 2.552 160 Y HA 0.523 5.071 4.550 -0.003 0.000 0.337 160 Y C -1.317 174.556 175.900 -0.043 0.000 1.094 160 Y CA -1.049 57.030 58.100 -0.035 0.000 1.028 160 Y CB 1.825 40.269 38.460 -0.026 0.000 1.321 160 Y HN 0.074 nan 8.280 nan 0.000 0.456 161 D N 4.135 124.026 120.400 -0.847 0.000 2.453 161 D HA 0.212 4.850 4.640 -0.004 0.000 0.223 161 D C 1.114 177.096 176.300 -0.529 0.000 1.183 161 D CA 0.142 53.805 54.000 -0.562 0.000 0.933 161 D CB 0.751 41.279 40.800 -0.454 0.000 1.038 161 D HN 0.493 nan 8.370 nan 0.000 0.513 162 V N 1.849 121.696 119.914 -0.113 0.000 2.324 162 V HA -0.281 3.837 4.120 -0.004 0.000 0.250 162 V C 2.288 178.388 176.094 0.010 0.000 1.060 162 V CA 2.226 64.578 62.300 0.086 0.000 1.042 162 V CB -1.977 29.886 31.823 0.067 0.000 0.650 162 V HN 0.657 nan 8.190 nan 0.000 0.450 163 T N -0.896 113.626 114.554 -0.052 0.000 2.759 163 T HA -0.238 4.110 4.350 -0.004 0.000 0.269 163 T C 0.926 175.599 174.700 -0.044 0.000 1.042 163 T CA 1.130 63.205 62.100 -0.041 0.000 1.140 163 T CB -0.985 67.853 68.868 -0.049 0.000 0.864 163 T HN 0.673 nan 8.240 nan 0.000 0.455 164 D N 1.844 122.187 120.400 -0.096 0.000 2.795 164 D HA -0.021 4.617 4.640 -0.004 0.000 0.221 164 D C 0.739 177.028 176.300 -0.019 0.000 1.108 164 D CA 1.027 54.976 54.000 -0.085 0.000 0.832 164 D CB 0.524 41.220 40.800 -0.174 0.000 1.183 164 D HN 0.418 nan 8.370 nan 0.000 0.503 165 V N 0.609 120.511 119.914 -0.019 0.000 3.261 165 V HA 0.170 4.288 4.120 -0.004 0.000 0.330 165 V C 1.353 177.441 176.094 -0.010 0.000 1.461 165 V CA 0.420 62.715 62.300 -0.007 0.000 1.127 165 V CB -0.429 31.391 31.823 -0.005 0.000 1.044 165 V HN 0.520 nan 8.190 nan 0.000 0.499 166 S N 0.530 116.220 115.700 -0.016 0.000 2.387 166 S HA -0.005 4.463 4.470 -0.004 0.000 0.226 166 S C 1.150 175.738 174.600 -0.020 0.000 1.026 166 S CA 1.428 59.614 58.200 -0.023 0.000 0.972 166 S CB -0.585 62.593 63.200 -0.037 0.000 0.814 166 S HN 0.618 nan 8.310 nan 0.000 0.477 167 N N 1.471 120.164 118.700 -0.012 0.000 3.234 167 N HA 0.431 5.169 4.740 -0.004 0.000 0.272 167 N C -1.136 174.362 175.510 -0.021 0.000 1.254 167 N CA -0.286 52.753 53.050 -0.019 0.000 1.087 167 N CB 0.612 39.084 38.487 -0.025 0.000 1.356 167 N HN 0.341 nan 8.380 nan 0.000 0.511 168 V N -0.135 119.767 119.914 -0.020 0.000 3.177 168 V HA 0.336 4.454 4.120 -0.004 0.000 0.287 168 V C -0.021 176.057 176.094 -0.027 0.000 1.465 168 V CA -0.995 61.245 62.300 -0.101 0.000 1.020 168 V CB 1.653 33.417 31.823 -0.099 0.000 1.152 168 V HN 0.543 nan 8.190 nan 0.000 0.448 169 H N 0.146 119.278 119.070 0.104 0.000 2.674 169 H HA 0.569 5.123 4.556 -0.003 0.000 0.274 169 H C -0.341 175.073 175.328 0.143 0.000 1.121 169 H CA 0.471 56.594 56.048 0.125 0.000 1.132 169 H CB 0.942 30.863 29.762 0.265 0.000 1.606 169 H HN 0.989 nan 8.280 nan 0.000 0.558 170 D N -0.144 120.283 120.400 0.044 0.000 2.879 170 D HA -0.010 4.628 4.640 -0.004 0.000 0.346 170 D C -0.994 175.347 176.300 0.068 0.000 1.390 170 D CA -0.673 53.399 54.000 0.120 0.000 0.838 170 D CB 0.356 41.304 40.800 0.247 0.000 1.416 170 D HN -0.041 nan 8.370 nan 0.000 0.493 171 D N -0.888 119.589 120.400 0.128 0.000 3.035 171 D HA 0.126 4.764 4.640 -0.004 0.000 0.290 171 D C 0.241 176.550 176.300 0.015 0.000 1.360 171 D CA -0.326 53.730 54.000 0.094 0.000 0.862 171 D CB 0.510 41.392 40.800 0.137 0.000 1.078 171 D HN 0.551 nan 8.370 nan 0.000 0.487 172 E N 0.255 120.369 120.200 -0.144 0.000 2.072 172 E HA -0.056 4.292 4.350 -0.004 0.000 0.190 172 E C 1.867 178.458 176.600 -0.015 0.000 0.982 172 E CA 0.325 56.482 56.400 -0.405 0.000 0.803 172 E CB 0.260 29.863 29.700 -0.162 0.000 0.755 172 E HN 0.322 nan 8.360 nan 0.000 0.453 173 L N 0.723 121.912 121.223 -0.055 0.000 1.955 173 L HA -0.232 4.106 4.340 -0.004 0.000 0.213 173 L C 2.708 179.569 176.870 -0.015 0.000 1.072 173 L CA 1.660 56.427 54.840 -0.121 0.000 0.755 173 L CB -0.602 41.367 42.059 -0.150 0.000 0.888 173 L HN 0.154 nan 8.230 nan 0.000 0.432 174 E N 0.212 120.425 120.200 0.022 0.000 2.097 174 E HA -0.298 4.050 4.350 -0.004 0.000 0.196 174 E C 1.951 178.604 176.600 0.089 0.000 1.000 174 E CA 1.553 57.983 56.400 0.050 0.000 0.804 174 E CB -0.407 29.331 29.700 0.063 0.000 0.740 174 E HN 0.337 nan 8.360 nan 0.000 0.454 175 F N 0.596 120.534 119.950 -0.019 0.000 2.126 175 F HA -0.203 4.322 4.527 -0.003 0.000 0.299 175 F C 2.114 177.924 175.800 0.017 0.000 1.096 175 F CA 2.078 60.086 58.000 0.013 0.000 1.255 175 F CB -0.656 38.345 39.000 0.003 0.000 0.997 175 F HN 0.017 nan 8.300 nan 0.000 0.479 176 T N 0.400 114.970 114.554 0.026 0.000 2.857 176 T HA -0.112 4.236 4.350 -0.004 0.000 0.266 176 T C 2.027 176.685 174.700 -0.071 0.000 1.048 176 T CA 1.274 63.354 62.100 -0.034 0.000 1.139 176 T CB -0.231 68.688 68.868 0.086 0.000 0.874 176 T HN 0.245 nan 8.240 nan 0.000 0.455 177 R N 0.792 121.267 120.500 -0.042 0.000 2.091 177 R HA 0.016 4.354 4.340 -0.004 0.000 0.238 177 R C 2.768 179.035 176.300 -0.055 0.000 1.136 177 R CA 1.241 57.323 56.100 -0.030 0.000 0.959 177 R CB -0.166 30.128 30.300 -0.011 0.000 0.856 177 R HN 0.305 nan 8.270 nan 0.000 0.437 178 R N 0.201 120.645 120.500 -0.093 0.000 2.075 178 R HA -0.042 4.296 4.340 -0.004 0.000 0.232 178 R C 2.247 178.458 176.300 -0.148 0.000 1.126 178 R CA 1.223 57.259 56.100 -0.107 0.000 0.963 178 R CB -0.106 30.131 30.300 -0.105 0.000 0.858 178 R HN 0.182 nan 8.270 nan 0.000 0.435 179 R N 0.428 120.772 120.500 -0.260 0.000 2.237 179 R HA -0.035 4.303 4.340 -0.004 0.000 0.219 179 R C 2.020 178.261 176.300 -0.099 0.000 1.080 179 R CA 0.730 56.697 56.100 -0.222 0.000 0.995 179 R CB -0.069 30.026 30.300 -0.342 0.000 0.875 179 R HN 0.250 nan 8.270 nan 0.000 0.462 180 L N -0.179 121.003 121.223 -0.068 0.000 2.270 180 L HA -0.049 4.289 4.340 -0.004 0.000 0.210 180 L C 2.130 178.994 176.870 -0.009 0.000 1.104 180 L CA 0.313 55.144 54.840 -0.016 0.000 0.804 180 L CB -0.182 41.882 42.059 0.008 0.000 0.937 180 L HN -0.058 nan 8.230 nan 0.000 0.450 181 V N -0.137 119.765 119.914 -0.020 0.000 2.453 181 V HA -0.321 3.797 4.120 -0.004 0.000 0.252 181 V C 2.477 178.565 176.094 -0.010 0.000 1.068 181 V CA 2.356 64.650 62.300 -0.010 0.000 1.070 181 V CB -1.037 30.778 31.823 -0.013 0.000 0.664 181 V HN 0.497 nan 8.190 nan 0.000 0.461 182 T N -0.049 114.496 114.554 -0.015 0.000 2.698 182 T HA -0.048 4.300 4.350 -0.004 0.000 0.260 182 T C 0.038 174.737 174.700 -0.001 0.000 1.044 182 T CA 1.648 63.743 62.100 -0.009 0.000 1.149 182 T CB -1.131 67.732 68.868 -0.009 0.000 0.864 182 T HN 0.432 nan 8.240 nan 0.000 0.419 183 P HA -0.034 nan 4.420 nan 0.000 0.218 183 P C 1.468 178.773 177.300 0.009 0.000 1.148 183 P CA 0.945 64.055 63.100 0.016 0.000 0.822 183 P CB 0.014 31.733 31.700 0.032 0.000 0.784 184 R N -0.073 120.431 120.500 0.006 0.000 2.082 184 R HA -0.090 4.248 4.340 -0.004 0.000 0.228 184 R C 2.159 178.447 176.300 -0.021 0.000 1.140 184 R CA 2.033 58.132 56.100 -0.003 0.000 0.920 184 R CB -0.844 29.457 30.300 0.001 0.000 0.828 184 R HN 0.072 nan 8.270 nan 0.000 0.430 185 M N 0.320 119.908 119.600 -0.019 0.000 2.144 185 M HA -0.174 4.303 4.480 -0.004 0.000 0.260 185 M C 2.434 178.716 176.300 -0.029 0.000 1.067 185 M CA 1.892 57.176 55.300 -0.027 0.000 1.095 185 M CB -0.335 32.254 32.600 -0.019 0.000 1.365 185 M HN 0.385 nan 8.290 nan 0.000 0.406 186 A N -0.243 122.565 122.820 -0.019 0.000 1.969 186 A HA -0.179 4.139 4.320 -0.004 0.000 0.218 186 A C 1.982 179.550 177.584 -0.026 0.000 1.169 186 A CA 1.988 54.016 52.037 -0.016 0.000 0.635 186 A CB -0.484 18.515 19.000 -0.003 0.000 0.810 186 A HN 0.452 nan 8.150 nan 0.000 0.445 187 E N -0.292 119.888 120.200 -0.034 0.000 2.122 187 E HA -0.036 4.312 4.350 -0.004 0.000 0.190 187 E C 1.784 178.326 176.600 -0.097 0.000 0.977 187 E CA 1.153 57.521 56.400 -0.053 0.000 0.820 187 E CB -0.293 29.381 29.700 -0.043 0.000 0.770 187 E HN 0.215 nan 8.360 nan 0.000 0.462 188 V N 1.150 121.002 119.914 -0.104 0.000 2.287 188 V HA -0.273 3.844 4.120 -0.004 0.000 0.248 188 V C 2.421 178.440 176.094 -0.125 0.000 1.053 188 V CA 1.994 64.207 62.300 -0.145 0.000 1.027 188 V CB -1.068 30.691 31.823 -0.108 0.000 0.646 188 V HN 0.440 nan 8.190 nan 0.000 0.447 189 A N 0.408 123.180 122.820 -0.081 0.000 1.972 189 A HA -0.041 4.277 4.320 -0.004 0.000 0.219 189 A C 2.246 179.796 177.584 -0.057 0.000 1.169 189 A CA 1.757 53.758 52.037 -0.061 0.000 0.635 189 A CB -0.932 18.043 19.000 -0.041 0.000 0.810 189 A HN 0.575 nan 8.150 nan 0.000 0.446 190 G N -0.313 108.453 108.800 -0.058 0.000 2.985 190 G HA2 0.175 4.133 3.960 -0.004 0.000 0.209 190 G HA3 0.175 4.133 3.960 -0.004 0.000 0.209 190 G C 0.703 175.571 174.900 -0.053 0.000 1.165 190 G CA 0.117 45.191 45.100 -0.044 0.000 0.776 190 G HN 0.734 nan 8.290 nan 0.000 0.541 191 R N 0.581 121.024 120.500 -0.096 0.000 2.294 191 R HA 0.392 4.729 4.340 -0.004 0.000 0.319 191 R C -1.348 174.905 176.300 -0.077 0.000 0.984 191 R CA -0.820 55.215 56.100 -0.108 0.000 0.861 191 R CB 1.134 31.291 30.300 -0.237 0.000 1.104 191 R HN -0.064 nan 8.270 nan 0.000 0.451 192 D N 5.398 125.790 120.400 -0.014 0.000 2.412 192 D HA 0.016 4.654 4.640 -0.004 0.000 0.257 192 D C -1.138 175.193 176.300 0.053 0.000 1.217 192 D CA -1.758 52.252 54.000 0.016 0.000 0.897 192 D CB 1.214 42.034 40.800 0.033 0.000 1.132 192 D HN 0.404 nan 8.370 nan 0.000 0.493 193 P HA -0.226 nan 4.420 nan 0.000 0.216 193 P C 0.756 178.119 177.300 0.105 0.000 1.150 193 P CA 1.421 64.574 63.100 0.089 0.000 0.843 193 P CB 0.344 32.066 31.700 0.038 0.000 0.787 194 K N 0.058 120.489 120.400 0.051 0.000 1.963 194 K HA -0.056 4.262 4.320 -0.004 0.000 0.216 194 K C 2.435 179.051 176.600 0.026 0.000 1.045 194 K CA 1.137 57.432 56.287 0.013 0.000 0.954 194 K CB -0.979 31.520 32.500 -0.002 0.000 0.732 194 K HN 0.056 nan 8.250 nan 0.000 0.442 195 L N 0.359 121.615 121.223 0.055 0.000 2.189 195 L HA -0.248 4.090 4.340 -0.004 0.000 0.214 195 L C 2.538 179.489 176.870 0.136 0.000 1.097 195 L CA 1.109 55.995 54.840 0.076 0.000 0.764 195 L CB -0.403 41.709 42.059 0.089 0.000 0.900 195 L HN 0.291 nan 8.230 nan 0.000 0.436 196 Y N 0.441 120.754 120.300 0.021 0.000 2.184 196 Y HA -0.165 4.382 4.550 -0.004 0.000 0.290 196 Y C 2.454 178.391 175.900 0.061 0.000 1.129 196 Y CA 1.076 59.202 58.100 0.042 0.000 1.144 196 Y CB -0.346 38.125 38.460 0.018 0.000 0.995 196 Y HN 0.070 nan 8.280 nan 0.000 0.513 197 A N 0.024 122.827 122.820 -0.028 0.000 2.070 197 A HA -0.152 4.166 4.320 -0.004 0.000 0.220 197 A C 2.076 179.619 177.584 -0.069 0.000 1.159 197 A CA 1.879 53.833 52.037 -0.139 0.000 0.656 197 A CB -0.713 18.236 19.000 -0.085 0.000 0.800 197 A HN 0.594 nan 8.150 nan 0.000 0.453 198 M N -0.102 119.454 119.600 -0.074 0.000 2.371 198 M HA 0.069 4.547 4.480 -0.004 0.000 0.246 198 M C 0.076 176.283 176.300 -0.155 0.000 1.103 198 M CA 0.045 55.248 55.300 -0.161 0.000 1.010 198 M CB 0.015 32.399 32.600 -0.360 0.000 1.457 198 M HN 0.721 nan 8.290 nan 0.000 0.486 199 H N -1.085 117.984 119.070 -0.002 0.000 2.207 199 H HA -0.105 4.448 4.556 -0.004 0.000 0.325 199 H C -2.590 172.823 175.328 0.141 0.000 0.959 199 H CA -0.299 55.771 56.048 0.036 0.000 1.085 199 H CB -2.327 27.411 29.762 -0.040 0.000 1.582 199 H HN 0.161 nan 8.280 nan 0.000 0.361 200 P HA -0.076 nan 4.420 nan 0.000 0.264 200 P C 0.102 177.577 177.300 0.291 0.000 1.183 200 P CA 0.207 63.427 63.100 0.200 0.000 0.763 200 P CB 0.350 32.181 31.700 0.219 0.000 0.807 201 W N 6.394 127.780 121.300 0.144 0.000 2.299 201 W HA 0.452 5.110 4.660 -0.004 0.000 0.319 201 W C -1.221 175.325 176.519 0.044 0.000 1.008 201 W CA -0.852 56.566 57.345 0.121 0.000 1.384 201 W CB 0.398 29.957 29.460 0.165 0.000 1.220 201 W HN 0.175 nan 8.180 nan 0.000 0.402 202 V N 2.952 123.034 119.914 0.279 0.000 3.074 202 V HA 0.891 5.009 4.120 -0.004 0.000 0.314 202 V C -0.913 175.206 176.094 0.043 0.000 1.117 202 V CA -0.843 61.419 62.300 -0.063 0.000 1.014 202 V CB 1.637 33.265 31.823 -0.324 0.000 1.057 202 V HN 0.345 nan 8.190 nan 0.000 0.438 203 T N 0.478 115.002 114.554 -0.051 0.000 2.886 203 T HA 0.503 4.851 4.350 -0.004 0.000 0.292 203 T C 0.450 175.133 174.700 -0.028 0.000 1.012 203 T CA 0.232 62.335 62.100 0.005 0.000 0.982 203 T CB 1.591 70.464 68.868 0.008 0.000 1.018 203 T HN 1.656 nan 8.240 nan 0.000 0.451 204 S N 3.381 119.080 115.700 -0.002 0.000 2.622 204 S HA 0.366 4.834 4.470 -0.004 0.000 0.236 204 S C 0.360 174.953 174.600 -0.010 0.000 0.956 204 S CA -0.542 57.650 58.200 -0.013 0.000 0.971 204 S CB -0.342 62.858 63.200 -0.001 0.000 0.782 204 S HN 0.632 nan 8.310 nan 0.000 0.468 205 K N 1.820 122.214 120.400 -0.011 0.000 2.087 205 K HA 0.491 4.809 4.320 -0.004 0.000 0.255 205 K C -2.686 173.894 176.600 -0.033 0.000 0.988 205 K CA -2.170 54.108 56.287 -0.016 0.000 0.915 205 K CB 0.232 32.724 32.500 -0.012 0.000 1.043 205 K HN 0.107 nan 8.250 nan 0.000 0.457 206 P HA 0.034 nan 4.420 nan 0.000 0.271 206 P C -0.749 176.504 177.300 -0.077 0.000 1.233 206 P CA -0.273 62.797 63.100 -0.050 0.000 0.789 206 P CB 0.453 32.126 31.700 -0.045 0.000 0.951 207 L N 3.535 124.705 121.223 -0.088 0.000 2.342 207 L HA 0.235 4.573 4.340 -0.004 0.000 0.285 207 L C -1.881 174.875 176.870 -0.190 0.000 1.095 207 L CA -1.748 53.015 54.840 -0.128 0.000 0.843 207 L CB 0.281 42.281 42.059 -0.098 0.000 1.201 207 L HN 0.296 nan 8.230 nan 0.000 0.445 208 P HA -0.145 nan 4.420 nan 0.000 0.271 208 P C 0.538 177.593 177.300 -0.410 0.000 1.212 208 P CA 0.139 62.966 63.100 -0.454 0.000 0.788 208 P CB 0.587 31.704 31.700 -0.972 0.000 0.865 209 E N 0.520 120.548 120.200 -0.287 0.000 2.106 209 E HA -0.223 4.125 4.350 -0.004 0.000 0.192 209 E C 1.486 178.025 176.600 -0.102 0.000 0.984 209 E CA 0.950 57.272 56.400 -0.130 0.000 0.806 209 E CB -0.331 29.356 29.700 -0.021 0.000 0.750 209 E HN 0.616 nan 8.360 nan 0.000 0.458 210 Y N -0.811 119.471 120.300 -0.031 0.000 2.509 210 Y HA 0.065 4.612 4.550 -0.004 0.000 0.293 210 Y C 1.671 177.541 175.900 -0.050 0.000 1.133 210 Y CA 0.398 58.468 58.100 -0.049 0.000 1.283 210 Y CB -0.312 38.106 38.460 -0.070 0.000 1.001 210 Y HN -0.016 nan 8.280 nan 0.000 0.555 211 L N -0.473 120.588 121.223 -0.270 0.000 2.221 211 L HA 0.034 4.372 4.340 -0.004 0.000 0.202 211 L C 2.190 179.002 176.870 -0.098 0.000 1.074 211 L CA 0.366 55.122 54.840 -0.141 0.000 0.795 211 L CB -0.338 41.578 42.059 -0.237 0.000 0.960 211 L HN 0.289 nan 8.230 nan 0.000 0.458 212 L N 0.618 121.763 121.223 -0.130 0.000 2.261 212 L HA -0.188 4.150 4.340 -0.004 0.000 0.216 212 L C 2.261 179.107 176.870 -0.040 0.000 1.114 212 L CA 1.685 56.479 54.840 -0.077 0.000 0.777 212 L CB -0.453 41.557 42.059 -0.083 0.000 0.910 212 L HN 0.041 nan 8.230 nan 0.000 0.440 213 K N -0.457 119.925 120.400 -0.029 0.000 2.167 213 K HA -0.053 4.265 4.320 -0.004 0.000 0.203 213 K C 1.987 178.587 176.600 0.000 0.000 1.052 213 K CA 1.200 57.484 56.287 -0.006 0.000 0.956 213 K CB 0.054 32.560 32.500 0.010 0.000 0.735 213 K HN 0.310 nan 8.250 nan 0.000 0.451 214 K N -0.012 120.387 120.400 -0.001 0.000 2.098 214 K HA 0.092 4.410 4.320 -0.004 0.000 0.203 214 K C 0.331 176.939 176.600 0.013 0.000 1.051 214 K CA 0.416 56.705 56.287 0.004 0.000 0.957 214 K CB -0.028 32.473 32.500 0.002 0.000 0.738 214 K HN 0.106 nan 8.250 nan 0.000 0.447 215 I N 2.402 122.977 120.570 0.009 0.000 2.710 215 I HA -0.061 4.107 4.170 -0.004 0.000 0.286 215 I C -0.055 176.079 176.117 0.028 0.000 1.181 215 I CA 0.536 61.850 61.300 0.023 0.000 1.430 215 I CB 0.654 38.658 38.000 0.006 0.000 1.367 215 I HN -0.003 nan 8.210 nan 0.000 0.577 216 T N 6.197 120.783 114.554 0.053 0.000 2.853 216 T HA 0.186 4.534 4.350 -0.004 0.000 0.317 216 T C -0.063 174.659 174.700 0.038 0.000 1.059 216 T CA -0.460 61.671 62.100 0.051 0.000 0.954 216 T CB -0.126 68.789 68.868 0.079 0.000 0.994 216 T HN 0.611 nan 8.240 nan 0.000 0.479 217 N N 3.795 122.507 118.700 0.019 0.000 2.586 217 N HA -0.225 4.513 4.740 -0.004 0.000 0.282 217 N C 0.275 175.784 175.510 -0.001 0.000 1.171 217 N CA 0.461 53.516 53.050 0.008 0.000 0.733 217 N CB -1.143 37.350 38.487 0.010 0.000 0.910 217 N HN 0.968 nan 8.380 nan 0.000 0.548 218 N N -1.058 117.639 118.700 -0.005 0.000 2.702 218 N HA -0.261 4.476 4.740 -0.004 0.000 0.261 218 N C -1.245 174.248 175.510 -0.028 0.000 0.965 218 N CA 0.948 53.990 53.050 -0.014 0.000 0.795 218 N CB -0.693 37.786 38.487 -0.014 0.000 0.909 218 N HN 0.537 nan 8.380 nan 0.000 0.546 219 C N 0.633 119.916 119.300 -0.029 0.000 2.642 219 C HA 0.565 5.023 4.460 -0.004 0.000 0.344 219 C C -0.077 174.872 174.990 -0.067 0.000 1.110 219 C CA -0.801 58.169 59.018 -0.081 0.000 1.298 219 C CB 1.527 29.202 27.740 -0.109 0.000 1.827 219 C HN 0.219 nan 8.230 nan 0.000 0.467 220 V N 3.673 123.516 119.914 -0.120 0.000 2.914 220 V HA 0.748 4.865 4.120 -0.004 0.000 0.314 220 V C -1.370 174.633 176.094 -0.152 0.000 1.084 220 V CA -0.439 61.844 62.300 -0.029 0.000 0.963 220 V CB 2.038 33.864 31.823 0.006 0.000 1.025 220 V HN 0.689 nan 8.190 nan 0.000 0.432 221 F N 6.134 126.067 119.950 -0.028 0.000 2.420 221 F HA 0.711 5.236 4.527 -0.004 0.000 0.342 221 F C 0.365 176.137 175.800 -0.047 0.000 1.113 221 F CA -0.523 57.459 58.000 -0.030 0.000 1.059 221 F CB 1.486 40.469 39.000 -0.027 0.000 1.128 221 F HN 0.486 nan 8.300 nan 0.000 0.475 222 I N 0.080 120.709 120.570 0.097 0.000 2.934 222 I HA 0.860 5.028 4.170 -0.004 0.000 0.306 222 I C -1.634 174.513 176.117 0.050 0.000 1.110 222 I CA -1.222 60.098 61.300 0.033 0.000 1.019 222 I CB 2.321 40.316 38.000 -0.009 0.000 1.227 222 I HN 0.183 nan 8.210 nan 0.000 0.434 223 V N 5.187 125.131 119.914 0.051 0.000 2.444 223 V HA 0.508 4.626 4.120 -0.004 0.000 0.294 223 V C -0.025 176.186 176.094 0.196 0.000 1.022 223 V CA -0.388 61.995 62.300 0.137 0.000 0.850 223 V CB 1.464 33.475 31.823 0.314 0.000 0.992 223 V HN 0.540 nan 8.190 nan 0.000 0.426 224 I N 4.373 124.993 120.570 0.083 0.000 2.392 224 I HA 0.540 4.707 4.170 -0.004 0.000 0.295 224 I C -0.375 175.776 176.117 0.056 0.000 0.985 224 I CA -0.476 60.865 61.300 0.068 0.000 1.221 224 I CB 1.481 39.398 38.000 -0.137 0.000 1.366 224 I HN 0.642 nan 8.210 nan 0.000 0.467 225 H N 4.317 123.371 119.070 -0.026 0.000 2.710 225 H HA 0.691 5.245 4.556 -0.004 0.000 0.361 225 H C -0.677 174.632 175.328 -0.033 0.000 1.175 225 H CA -1.048 54.994 56.048 -0.011 0.000 1.206 225 H CB 1.635 31.393 29.762 -0.006 0.000 1.750 225 H HN 0.387 nan 8.280 nan 0.000 0.553 226 R N 1.324 121.883 120.500 0.099 0.000 3.154 226 R HA 0.185 4.523 4.340 -0.004 0.000 0.260 226 R C -1.190 175.133 176.300 0.037 0.000 1.515 226 R CA 0.081 56.205 56.100 0.040 0.000 0.997 226 R CB 0.095 30.401 30.300 0.010 0.000 1.437 226 R HN 1.007 nan 8.270 nan 0.000 0.398 227 S N 1.767 117.492 115.700 0.042 0.000 3.341 227 S HA -0.225 4.243 4.470 -0.004 0.000 0.414 227 S C 0.583 175.203 174.600 0.032 0.000 0.869 227 S CA 1.259 59.479 58.200 0.033 0.000 1.349 227 S CB -1.880 61.334 63.200 0.023 0.000 0.938 227 S HN 1.044 nan 8.310 nan 0.000 0.615 228 T N -0.910 113.670 114.554 0.043 0.000 11.675 228 T HA -0.269 4.079 4.350 -0.004 0.000 0.407 228 T C 0.712 175.420 174.700 0.012 0.000 1.535 228 T CA 1.984 64.103 62.100 0.032 0.000 2.503 228 T CB -2.002 66.878 68.868 0.019 0.000 2.785 228 T HN 1.302 nan 8.240 nan 0.000 0.895 229 T N 3.393 117.952 114.554 0.008 0.000 2.853 229 T HA 0.479 4.827 4.350 -0.004 0.000 0.298 229 T C -0.016 174.642 174.700 -0.070 0.000 0.978 229 T CA 0.181 62.274 62.100 -0.013 0.000 1.152 229 T CB 0.594 69.469 68.868 0.010 0.000 0.914 229 T HN 0.405 nan 8.240 nan 0.000 0.539 230 S N 4.037 119.666 115.700 -0.119 0.000 2.677 230 S HA 0.463 4.931 4.470 -0.004 0.000 0.283 230 S C -0.999 173.523 174.600 -0.131 0.000 1.159 230 S CA -1.040 56.999 58.200 -0.269 0.000 1.001 230 S CB 1.660 64.597 63.200 -0.437 0.000 1.032 230 S HN 0.549 nan 8.310 nan 0.000 0.487 231 Q N 1.237 120.985 119.800 -0.087 0.000 2.389 231 Q HA 0.555 4.893 4.340 -0.004 0.000 0.277 231 Q C -0.999 175.017 176.000 0.028 0.000 1.082 231 Q CA -0.673 55.132 55.803 0.003 0.000 0.810 231 Q CB 2.179 30.953 28.738 0.061 0.000 1.374 231 Q HN 0.562 nan 8.270 nan 0.000 0.422 232 T N 2.005 116.595 114.554 0.060 0.000 2.824 232 T HA 0.714 5.062 4.350 -0.004 0.000 0.280 232 T C 0.026 174.780 174.700 0.090 0.000 0.995 232 T CA -0.366 61.788 62.100 0.092 0.000 1.009 232 T CB 0.512 69.461 68.868 0.135 0.000 0.955 232 T HN 0.325 nan 8.240 nan 0.000 0.452 233 I N 3.671 124.280 120.570 0.064 0.000 2.478 233 I HA 0.352 4.520 4.170 -0.004 0.000 0.287 233 I C -0.095 175.970 176.117 -0.087 0.000 1.042 233 I CA -1.089 60.219 61.300 0.013 0.000 1.067 233 I CB 1.897 39.920 38.000 0.038 0.000 1.233 233 I HN 0.521 nan 8.210 nan 0.000 0.431 234 K N 6.481 126.746 120.400 -0.226 0.000 2.234 234 K HA 0.738 5.055 4.320 -0.004 0.000 0.277 234 K C -0.664 175.746 176.600 -0.317 0.000 1.038 234 K CA -0.585 55.392 56.287 -0.517 0.000 0.888 234 K CB 1.758 33.550 32.500 -1.180 0.000 1.091 234 K HN 0.445 nan 8.250 nan 0.000 0.467 235 V N -0.922 118.847 119.914 -0.242 0.000 3.158 235 V HA 0.530 4.648 4.120 -0.004 0.000 0.311 235 V C -0.008 176.012 176.094 -0.123 0.000 1.181 235 V CA -1.202 61.011 62.300 -0.145 0.000 1.054 235 V CB 1.411 33.182 31.823 -0.087 0.000 1.085 235 V HN 0.897 nan 8.190 nan 0.000 0.446 236 S N 0.756 116.410 115.700 -0.078 0.000 2.564 236 S HA 0.489 4.957 4.470 -0.004 0.000 0.278 236 S C 1.136 175.716 174.600 -0.033 0.000 1.333 236 S CA 0.105 58.273 58.200 -0.052 0.000 1.048 236 S CB 1.113 64.293 63.200 -0.033 0.000 0.900 236 S HN 2.035 nan 8.310 nan 0.000 0.505 237 A N 1.484 124.291 122.820 -0.022 0.000 2.248 237 A HA 0.028 4.345 4.320 -0.004 0.000 0.210 237 A C 1.209 178.803 177.584 0.016 0.000 1.174 237 A CA 0.835 52.871 52.037 -0.001 0.000 0.750 237 A CB -0.468 18.532 19.000 -0.001 0.000 0.780 237 A HN 0.895 nan 8.150 nan 0.000 0.478 238 D N -0.009 120.396 120.400 0.009 0.000 2.398 238 D HA 0.044 4.681 4.640 -0.004 0.000 0.210 238 D C -0.645 175.671 176.300 0.026 0.000 1.094 238 D CA -0.101 53.911 54.000 0.019 0.000 0.839 238 D CB 0.232 41.037 40.800 0.008 0.000 0.963 238 D HN 0.332 nan 8.370 nan 0.000 0.506 239 D N 1.210 121.623 120.400 0.021 0.000 2.372 239 D HA 0.092 4.730 4.640 -0.004 0.000 0.243 239 D C 0.425 176.753 176.300 0.045 0.000 1.121 239 D CA 0.571 54.582 54.000 0.019 0.000 0.898 239 D CB 1.355 42.153 40.800 -0.004 0.000 1.202 239 D HN -0.190 nan 8.370 nan 0.000 0.428 240 T N 2.392 116.971 114.554 0.043 0.000 2.909 240 T HA 0.186 4.533 4.350 -0.004 0.000 0.289 240 T C -1.508 173.212 174.700 0.033 0.000 1.005 240 T CA -1.378 60.763 62.100 0.068 0.000 1.084 240 T CB 1.503 70.406 68.868 0.059 0.000 0.975 240 T HN 0.107 nan 8.240 nan 0.000 0.509 241 P HA -0.084 nan 4.420 nan 0.000 0.221 241 P C 1.445 178.721 177.300 -0.040 0.000 1.141 241 P CA 0.700 63.776 63.100 -0.040 0.000 0.794 241 P CB 0.074 31.750 31.700 -0.040 0.000 0.764 242 G N -1.571 107.226 108.800 -0.005 0.000 2.411 242 G HA2 -0.141 3.817 3.960 -0.004 0.000 0.213 242 G HA3 -0.141 3.817 3.960 -0.004 0.000 0.213 242 G C 1.411 176.294 174.900 -0.028 0.000 1.166 242 G CA 0.803 45.895 45.100 -0.013 0.000 0.802 242 G HN 0.152 nan 8.290 nan 0.000 0.533 243 T N 2.082 116.629 114.554 -0.011 0.000 2.881 243 T HA -0.042 4.306 4.350 -0.004 0.000 0.270 243 T C 2.232 176.915 174.700 -0.028 0.000 1.068 243 T CA 0.510 62.604 62.100 -0.010 0.000 1.131 243 T CB -0.041 68.828 68.868 0.001 0.000 0.871 243 T HN 0.110 nan 8.240 nan 0.000 0.479 244 I N 0.730 121.271 120.570 -0.048 0.000 2.676 244 I HA 0.020 4.188 4.170 -0.004 0.000 0.259 244 I C 1.924 177.985 176.117 -0.094 0.000 1.194 244 I CA 1.091 62.350 61.300 -0.068 0.000 1.473 244 I CB -0.960 36.980 38.000 -0.100 0.000 1.096 244 I HN 0.323 nan 8.210 nan 0.000 0.443 245 L N -0.540 120.600 121.223 -0.139 0.000 2.286 245 L HA -0.003 4.335 4.340 -0.004 0.000 0.203 245 L C 2.530 179.206 176.870 -0.323 0.000 1.068 245 L CA 0.410 55.083 54.840 -0.278 0.000 0.811 245 L CB -0.632 41.229 42.059 -0.330 0.000 0.989 245 L HN 0.148 nan 8.230 nan 0.000 0.467 246 Q N 0.119 119.826 119.800 -0.154 0.000 2.096 246 Q HA -0.251 4.087 4.340 -0.004 0.000 0.204 246 Q C 2.249 178.263 176.000 0.023 0.000 0.982 246 Q CA 2.190 57.976 55.803 -0.029 0.000 0.850 246 Q CB -0.018 28.734 28.738 0.023 0.000 0.901 246 Q HN 0.333 nan 8.270 nan 0.000 0.422 247 S N -0.794 114.915 115.700 0.015 0.000 2.461 247 S HA -0.067 4.401 4.470 -0.004 0.000 0.228 247 S C 1.384 176.021 174.600 0.063 0.000 1.005 247 S CA 0.360 58.582 58.200 0.036 0.000 0.942 247 S CB -0.326 62.888 63.200 0.023 0.000 0.776 247 S HN 0.546 nan 8.310 nan 0.000 0.514 248 F N 1.562 121.447 119.950 -0.108 0.000 2.128 248 F HA 0.123 4.647 4.527 -0.004 0.000 0.295 248 F C 1.553 177.379 175.800 0.043 0.000 1.100 248 F CA 1.290 59.236 58.000 -0.089 0.000 1.260 248 F CB -0.755 38.124 39.000 -0.202 0.000 1.009 248 F HN 0.285 nan 8.300 nan 0.000 0.476 249 F N 0.374 120.269 119.950 -0.092 0.000 2.287 249 F HA -0.209 4.315 4.527 -0.003 0.000 0.301 249 F C 1.745 177.425 175.800 -0.201 0.000 1.069 249 F CA 0.973 58.860 58.000 -0.188 0.000 1.372 249 F CB -0.588 38.410 39.000 -0.003 0.000 1.056 249 F HN 0.100 nan 8.300 nan 0.000 0.523 250 T N -3.304 111.274 114.554 0.040 0.000 3.240 250 T HA 0.225 4.573 4.350 -0.004 0.000 0.248 250 T C 0.714 175.378 174.700 -0.059 0.000 0.929 250 T CA -0.409 61.688 62.100 -0.004 0.000 0.939 250 T CB 0.240 69.123 68.868 0.026 0.000 1.114 250 T HN 0.008 nan 8.240 nan 0.000 0.558 251 K N 0.283 120.596 120.400 -0.145 0.000 2.574 251 K HA 0.412 4.730 4.320 -0.004 0.000 0.215 251 K C 0.040 176.536 176.600 -0.173 0.000 1.485 251 K CA 0.357 56.561 56.287 -0.140 0.000 1.006 251 K CB 1.006 33.426 32.500 -0.132 0.000 1.254 251 K HN 0.434 nan 8.250 nan 0.000 0.580 252 M N 0.155 119.596 119.600 -0.264 0.000 2.421 252 M HA 0.488 4.966 4.480 -0.004 0.000 0.287 252 M C -0.967 175.224 176.300 -0.182 0.000 1.183 252 M CA -0.693 54.478 55.300 -0.215 0.000 0.916 252 M CB 2.593 35.036 32.600 -0.262 0.000 1.701 252 M HN -0.047 nan 8.290 nan 0.000 0.470 270 F N 1.196 121.205 119.950 0.099 0.000 2.456 270 F HA 0.645 5.171 4.527 -0.003 0.000 0.364 270 F C 0.539 176.351 175.800 0.020 0.000 1.092 270 F CA -0.586 57.451 58.000 0.061 0.000 1.125 270 F CB 1.009 40.059 39.000 0.084 0.000 1.543 270 F HN -0.225 nan 8.300 nan 0.000 0.504 271 V N 0.881 120.943 119.914 0.247 0.000 3.147 271 V HA 0.456 4.574 4.120 -0.004 0.000 0.299 271 V C -1.691 174.452 176.094 0.082 0.000 1.302 271 V CA -0.966 61.404 62.300 0.116 0.000 1.015 271 V CB 2.193 34.069 31.823 0.088 0.000 1.086 271 V HN 0.532 nan 8.190 nan 0.000 0.437 272 L N 5.766 126.991 121.223 0.005 0.000 2.268 272 L HA 0.616 4.954 4.340 -0.004 0.000 0.289 272 L C 0.294 177.125 176.870 -0.064 0.000 1.064 272 L CA -0.031 54.769 54.840 -0.066 0.000 0.824 272 L CB 0.741 42.714 42.059 -0.143 0.000 1.202 272 L HN 0.661 nan 8.230 nan 0.000 0.433 273 R N 2.472 122.918 120.500 -0.090 0.000 2.720 273 R HA 0.676 5.014 4.340 -0.004 0.000 0.272 273 R C -0.996 175.127 176.300 -0.294 0.000 0.991 273 R CA -0.699 55.253 56.100 -0.246 0.000 1.010 273 R CB 1.780 31.904 30.300 -0.294 0.000 1.141 273 R HN 0.309 nan 8.270 nan 0.000 0.494 274 V N 2.602 122.251 119.914 -0.442 0.000 2.583 274 V HA 0.136 4.254 4.120 -0.004 0.000 0.287 274 V C 0.103 175.984 176.094 -0.355 0.000 1.051 274 V CA -0.748 61.275 62.300 -0.461 0.000 1.010 274 V CB 1.134 32.396 31.823 -0.934 0.000 0.988 274 V HN 0.835 nan 8.190 nan 0.000 0.478 275 C N 4.742 123.905 119.300 -0.228 0.000 2.638 275 C HA 0.434 4.892 4.460 -0.004 0.000 0.410 275 C C 1.640 176.527 174.990 -0.173 0.000 1.404 275 C CA 0.825 59.727 59.018 -0.193 0.000 1.651 275 C CB -1.095 26.524 27.740 -0.201 0.000 2.495 275 C HN 1.358 nan 8.230 nan 0.000 0.606 276 G N 3.706 112.406 108.800 -0.167 0.000 2.179 276 G HA2 -0.215 3.743 3.960 -0.004 0.000 0.260 276 G HA3 -0.215 3.743 3.960 -0.004 0.000 0.260 276 G C -0.012 174.783 174.900 -0.176 0.000 0.977 276 G CA 0.246 45.264 45.100 -0.137 0.000 0.641 276 G HN 0.773 nan 8.290 nan 0.000 0.533 277 R N -0.394 119.946 120.500 -0.268 0.000 2.771 277 R HA 0.390 4.728 4.340 -0.004 0.000 0.274 277 R C -1.442 174.634 176.300 -0.374 0.000 0.987 277 R CA -0.963 54.950 56.100 -0.311 0.000 0.908 277 R CB 1.181 31.223 30.300 -0.431 0.000 1.213 277 R HN 0.020 nan 8.270 nan 0.000 0.468 278 D N 2.167 122.381 120.400 -0.310 0.000 2.713 278 D HA 0.065 4.703 4.640 -0.004 0.000 0.229 278 D C -0.784 175.256 176.300 -0.434 0.000 1.136 278 D CA 0.416 54.192 54.000 -0.374 0.000 1.010 278 D CB 0.605 41.329 40.800 -0.127 0.000 1.084 278 D HN 0.274 nan 8.370 nan 0.000 0.495 279 E N 1.095 120.901 120.200 -0.656 0.000 2.220 279 E HA 0.206 4.554 4.350 -0.004 0.000 0.256 279 E C -1.417 174.825 176.600 -0.596 0.000 0.881 279 E CA -0.652 55.440 56.400 -0.514 0.000 0.766 279 E CB 0.579 30.017 29.700 -0.436 0.000 1.187 279 E HN 0.070 nan 8.360 nan 0.000 0.419 280 Y N 3.466 123.618 120.300 -0.246 0.000 2.342 280 Y HA 0.368 4.916 4.550 -0.003 0.000 0.334 280 Y C 0.157 175.989 175.900 -0.113 0.000 1.067 280 Y CA -0.985 57.007 58.100 -0.181 0.000 1.128 280 Y CB 1.153 39.518 38.460 -0.159 0.000 1.200 280 Y HN 0.372 nan 8.280 nan 0.000 0.464 281 L N 5.632 126.816 121.223 -0.066 0.000 2.449 281 L HA 0.401 4.739 4.340 -0.004 0.000 0.255 281 L C -0.572 176.239 176.870 -0.100 0.000 1.167 281 L CA -0.631 54.006 54.840 -0.339 0.000 1.090 281 L CB -0.664 40.952 42.059 -0.739 0.000 1.385 281 L HN 0.449 nan 8.230 nan 0.000 0.411 282 V N -1.316 118.706 119.914 0.179 0.000 2.914 282 V HA 1.091 5.209 4.120 -0.004 0.000 0.314 282 V C 0.231 176.477 176.094 0.253 0.000 1.084 282 V CA -0.290 62.107 62.300 0.162 0.000 0.963 282 V CB 1.574 33.442 31.823 0.076 0.000 1.025 282 V HN 0.685 nan 8.190 nan 0.000 0.432 283 G N 1.746 110.652 108.800 0.176 0.000 2.371 283 G HA2 0.074 4.032 3.960 -0.004 0.000 0.663 283 G HA3 0.074 4.032 3.960 -0.004 0.000 0.663 283 G C -0.744 174.238 174.900 0.136 0.000 1.311 283 G CA -0.411 44.775 45.100 0.144 0.000 0.985 283 G HN 0.905 nan 8.290 nan 0.000 0.566 284 E N 1.443 121.694 120.200 0.086 0.000 2.232 284 E HA 0.351 4.699 4.350 -0.004 0.000 0.296 284 E C 0.394 177.027 176.600 0.054 0.000 1.372 284 E CA 0.549 56.990 56.400 0.068 0.000 1.527 284 E CB -0.002 29.725 29.700 0.045 0.000 1.424 284 E HN 0.799 nan 8.360 nan 0.000 0.485 285 T N -1.928 112.679 114.554 0.087 0.000 2.909 285 T HA 0.495 4.843 4.350 -0.004 0.000 0.299 285 T C -2.857 171.928 174.700 0.142 0.000 1.073 285 T CA -2.520 59.599 62.100 0.032 0.000 0.999 285 T CB 2.154 70.925 68.868 -0.162 0.000 1.098 285 T HN -0.189 nan 8.240 nan 0.000 0.477 286 P HA 0.183 nan 4.420 nan 0.000 0.267 286 P C 1.454 178.916 177.300 0.270 0.000 1.200 286 P CA -0.581 62.596 63.100 0.128 0.000 0.772 286 P CB 0.308 32.042 31.700 0.058 0.000 0.855 287 I N 1.728 122.457 120.570 0.265 0.000 2.700 287 I HA -0.239 3.929 4.170 -0.004 0.000 0.261 287 I C 1.435 177.741 176.117 0.315 0.000 1.219 287 I CA 1.318 62.816 61.300 0.331 0.000 1.463 287 I CB -0.758 37.289 38.000 0.078 0.000 1.092 287 I HN 0.297 nan 8.210 nan 0.000 0.452 288 K N 0.629 121.131 120.400 0.170 0.000 2.366 288 K HA 0.019 4.337 4.320 -0.004 0.000 0.198 288 K C 0.808 177.449 176.600 0.069 0.000 1.044 288 K CA 0.809 57.151 56.287 0.092 0.000 0.973 288 K CB -0.359 32.161 32.500 0.034 0.000 0.767 288 K HN 0.251 nan 8.250 nan 0.000 0.475 289 N N 0.522 119.254 118.700 0.053 0.000 2.313 289 N HA 0.106 4.844 4.740 -0.004 0.000 0.207 289 N C -1.168 174.228 175.510 -0.190 0.000 1.141 289 N CA 0.121 53.120 53.050 -0.085 0.000 0.830 289 N CB 0.038 38.434 38.487 -0.153 0.000 1.008 289 N HN 0.099 nan 8.380 nan 0.000 0.481 290 F N 1.137 121.082 119.950 -0.008 0.000 2.385 290 F HA 0.251 4.776 4.527 -0.004 0.000 0.360 290 F C 1.718 177.471 175.800 -0.078 0.000 1.122 290 F CA -0.735 57.261 58.000 -0.006 0.000 1.090 290 F CB 1.419 40.444 39.000 0.042 0.000 1.150 290 F HN -0.183 nan 8.300 nan 0.000 0.472 291 Q N 3.485 123.226 119.800 -0.098 0.000 2.096 291 Q HA -0.314 4.024 4.340 -0.004 0.000 0.208 291 Q C 2.235 178.140 176.000 -0.159 0.000 0.993 291 Q CA 1.952 57.551 55.803 -0.339 0.000 0.862 291 Q CB -0.545 27.531 28.738 -1.104 0.000 0.915 291 Q HN 0.876 nan 8.270 nan 0.000 0.416 292 W N 1.129 122.311 121.300 -0.197 0.000 2.317 292 W HA -0.230 4.428 4.660 -0.003 0.000 0.318 292 W C 1.950 178.427 176.519 -0.071 0.000 1.227 292 W CA 1.860 59.136 57.345 -0.115 0.000 1.269 292 W CB -0.181 29.249 29.460 -0.050 0.000 1.155 292 W HN 0.002 nan 8.180 nan 0.000 0.484 293 V N 1.784 121.769 119.914 0.118 0.000 2.278 293 V HA -0.367 3.751 4.120 -0.004 0.000 0.251 293 V C 2.543 178.576 176.094 -0.101 0.000 1.062 293 V CA 2.491 64.794 62.300 0.005 0.000 1.038 293 V CB -1.118 30.763 31.823 0.096 0.000 0.646 293 V HN 0.220 nan 8.190 nan 0.000 0.447 294 R N -0.469 119.980 120.500 -0.084 0.000 2.092 294 R HA -0.186 4.151 4.340 -0.004 0.000 0.231 294 R C 2.442 178.650 176.300 -0.153 0.000 1.119 294 R CA 1.590 57.631 56.100 -0.098 0.000 0.970 294 R CB -0.391 29.861 30.300 -0.081 0.000 0.864 294 R HN 0.614 nan 8.270 nan 0.000 0.440 295 Q N 0.491 120.140 119.800 -0.253 0.000 2.084 295 Q HA -0.193 4.145 4.340 -0.004 0.000 0.202 295 Q C 2.144 177.929 176.000 -0.357 0.000 0.978 295 Q CA 1.786 57.399 55.803 -0.317 0.000 0.844 295 Q CB -0.029 28.435 28.738 -0.457 0.000 0.898 295 Q HN 0.396 nan 8.270 nan 0.000 0.426 296 C N 0.240 119.256 119.300 -0.473 0.000 2.432 296 C HA -0.141 4.317 4.460 -0.004 0.000 0.277 296 C C 2.617 177.485 174.990 -0.203 0.000 1.249 296 C CA 0.531 59.321 59.018 -0.380 0.000 1.725 296 C CB -1.155 26.354 27.740 -0.386 0.000 2.028 296 C HN 0.531 nan 8.230 nan 0.000 0.477 297 L N 0.914 122.046 121.223 -0.152 0.000 1.989 297 L HA -0.214 4.124 4.340 -0.004 0.000 0.211 297 L C 2.752 179.586 176.870 -0.060 0.000 1.071 297 L CA 1.814 56.605 54.840 -0.081 0.000 0.749 297 L CB -0.776 41.252 42.059 -0.052 0.000 0.890 297 L HN 0.382 nan 8.230 nan 0.000 0.431 298 K N 0.202 120.570 120.400 -0.054 0.000 2.063 298 K HA -0.179 4.139 4.320 -0.004 0.000 0.208 298 K C 1.574 178.132 176.600 -0.070 0.000 1.048 298 K CA 1.599 57.869 56.287 -0.028 0.000 0.928 298 K CB -0.032 32.461 32.500 -0.012 0.000 0.713 298 K HN 0.369 nan 8.250 nan 0.000 0.442 299 N N 0.019 118.659 118.700 -0.099 0.000 2.461 299 N HA -0.011 4.727 4.740 -0.004 0.000 0.188 299 N C 0.498 175.962 175.510 -0.075 0.000 1.134 299 N CA 1.006 54.002 53.050 -0.091 0.000 0.878 299 N CB 0.505 38.924 38.487 -0.113 0.000 0.972 299 N HN 0.417 nan 8.380 nan 0.000 0.456 300 G N 1.515 110.269 108.800 -0.076 0.000 2.314 300 G HA2 -0.268 3.690 3.960 -0.004 0.000 0.292 300 G HA3 -0.268 3.690 3.960 -0.004 0.000 0.292 300 G C -0.439 174.424 174.900 -0.061 0.000 1.059 300 G CA 0.176 45.239 45.100 -0.061 0.000 0.982 300 G HN 0.423 nan 8.290 nan 0.000 0.505 301 E N -0.293 119.856 120.200 -0.086 0.000 2.244 301 E HA 0.445 4.792 4.350 -0.004 0.000 0.266 301 E C 0.086 176.627 176.600 -0.098 0.000 0.914 301 E CA -0.982 55.375 56.400 -0.073 0.000 0.794 301 E CB 1.611 31.263 29.700 -0.081 0.000 1.210 301 E HN 0.515 nan 8.360 nan 0.000 0.414 302 E N 1.150 121.297 120.200 -0.089 0.000 2.404 302 E HA 0.119 4.467 4.350 -0.004 0.000 0.261 302 E C -0.238 176.175 176.600 -0.312 0.000 1.074 302 E CA 0.124 56.387 56.400 -0.228 0.000 0.917 302 E CB 0.673 30.172 29.700 -0.335 0.000 0.965 302 E HN 0.328 nan 8.360 nan 0.000 0.433 303 I N 2.999 123.395 120.570 -0.291 0.000 2.317 303 I HA 0.125 4.293 4.170 -0.004 0.000 0.286 303 I C -0.584 175.459 176.117 -0.124 0.000 1.119 303 I CA -0.347 60.884 61.300 -0.115 0.000 1.228 303 I CB -0.225 37.762 38.000 -0.021 0.000 1.476 303 I HN 0.346 nan 8.210 nan 0.000 0.514 304 H N 6.029 125.193 119.070 0.157 0.000 2.668 304 H HA 0.561 5.115 4.556 -0.004 0.000 0.303 304 H C -0.532 174.799 175.328 0.004 0.000 1.074 304 H CA -0.247 55.863 56.048 0.103 0.000 1.406 304 H CB 0.754 30.515 29.762 -0.002 0.000 1.442 304 H HN 0.409 nan 8.280 nan 0.000 0.482 305 L N 3.278 124.569 121.223 0.113 0.000 2.386 305 L HA 0.447 4.785 4.340 -0.004 0.000 0.271 305 L C -0.628 176.238 176.870 -0.006 0.000 0.993 305 L CA -1.143 53.688 54.840 -0.014 0.000 0.819 305 L CB 2.173 44.200 42.059 -0.055 0.000 1.294 305 L HN 0.362 nan 8.230 nan 0.000 0.414 306 V N 4.217 124.087 119.914 -0.074 0.000 2.394 306 V HA 0.392 4.509 4.120 -0.004 0.000 0.282 306 V C -0.442 175.623 176.094 -0.048 0.000 1.031 306 V CA -0.662 61.614 62.300 -0.041 0.000 0.881 306 V CB 1.743 33.528 31.823 -0.065 0.000 0.982 306 V HN 0.593 nan 8.190 nan 0.000 0.451 307 L N 8.840 130.028 121.223 -0.059 0.000 2.342 307 L HA 0.493 4.831 4.340 -0.004 0.000 0.285 307 L C -0.098 176.778 176.870 0.011 0.000 1.095 307 L CA 0.547 55.345 54.840 -0.070 0.000 0.843 307 L CB 0.053 41.996 42.059 -0.193 0.000 1.201 307 L HN 0.879 nan 8.230 nan 0.000 0.445 308 D N 1.979 122.466 120.400 0.145 0.000 2.714 308 D HA 0.343 4.981 4.640 -0.004 0.000 0.278 308 D C -0.778 175.777 176.300 0.425 0.000 1.102 308 D CA -0.600 53.566 54.000 0.275 0.000 1.108 308 D CB 1.054 41.950 40.800 0.159 0.000 1.444 308 D HN 0.301 nan 8.370 nan 0.000 0.568 309 T N 1.091 115.829 114.554 0.306 0.000 2.897 309 T HA 0.432 4.780 4.350 -0.004 0.000 0.294 309 T C -2.272 172.442 174.700 0.023 0.000 1.004 309 T CA -0.673 61.465 62.100 0.064 0.000 1.106 309 T CB 1.035 69.864 68.868 -0.066 0.000 0.949 309 T HN 0.207 nan 8.240 nan 0.000 0.520 310 P HA 0.175 nan 4.420 nan 0.000 0.269 310 P C -2.264 174.952 177.300 -0.140 0.000 1.209 310 P CA -1.078 61.936 63.100 -0.143 0.000 0.776 310 P CB -0.235 31.373 31.700 -0.153 0.000 0.876 311 P HA 0.074 nan 4.420 nan 0.000 0.276 311 P C -0.581 176.654 177.300 -0.109 0.000 1.230 311 P CA -0.022 63.002 63.100 -0.126 0.000 0.776 311 P CB 0.428 32.042 31.700 -0.144 0.000 0.888 312 D N 4.945 125.302 120.400 -0.072 0.000 2.368 312 D HA -0.006 4.632 4.640 -0.004 0.000 0.268 312 D C -1.048 175.224 176.300 -0.048 0.000 1.298 312 D CA -1.579 52.386 54.000 -0.059 0.000 0.938 312 D CB 0.307 41.079 40.800 -0.047 0.000 1.101 312 D HN 0.224 nan 8.370 nan 0.000 0.509 313 P HA -0.088 nan 4.420 nan 0.000 0.242 313 P C 0.314 177.616 177.300 0.002 0.000 1.198 313 P CA 0.371 63.465 63.100 -0.010 0.000 0.756 313 P CB 0.153 31.851 31.700 -0.004 0.000 0.911 314 A N -0.641 122.170 122.820 -0.015 0.000 2.308 314 A HA 0.191 4.509 4.320 -0.004 0.000 0.217 314 A C 1.885 179.459 177.584 -0.017 0.000 1.216 314 A CA -0.004 52.024 52.037 -0.015 0.000 0.864 314 A CB -0.727 18.259 19.000 -0.024 0.000 0.902 314 A HN 0.166 nan 8.150 nan 0.000 0.499 315 L N -0.581 120.631 121.223 -0.018 0.000 2.558 315 L HA 0.078 4.416 4.340 -0.004 0.000 0.225 315 L C 0.258 177.122 176.870 -0.010 0.000 1.128 315 L CA 0.260 55.086 54.840 -0.024 0.000 0.868 315 L CB 0.008 42.046 42.059 -0.034 0.000 1.006 315 L HN 0.177 nan 8.230 nan 0.000 0.454 316 D N 0.416 120.828 120.400 0.020 0.000 2.491 316 D HA 0.021 4.658 4.640 -0.004 0.000 0.228 316 D C 0.470 176.802 176.300 0.052 0.000 1.183 316 D CA 0.079 54.120 54.000 0.069 0.000 0.827 316 D CB 0.282 41.200 40.800 0.197 0.000 0.989 316 D HN 0.334 nan 8.370 nan 0.000 0.494 317 E N 1.006 121.213 120.200 0.011 0.000 2.384 317 E HA 0.111 4.458 4.350 -0.004 0.000 0.266 317 E C -0.511 176.079 176.600 -0.017 0.000 1.012 317 E CA -0.128 56.266 56.400 -0.011 0.000 0.901 317 E CB 1.051 30.735 29.700 -0.027 0.000 0.967 317 E HN -0.192 nan 8.360 nan 0.000 0.435 318 V N 5.258 125.153 119.914 -0.031 0.000 2.481 318 V HA 0.247 4.365 4.120 -0.004 0.000 0.286 318 V C 0.851 176.902 176.094 -0.072 0.000 1.042 318 V CA -0.428 61.849 62.300 -0.038 0.000 0.928 318 V CB 1.397 33.197 31.823 -0.040 0.000 0.986 318 V HN 0.745 nan 8.190 nan 0.000 0.462 319 R N 2.761 123.192 120.500 -0.115 0.000 2.893 319 R HA 0.143 4.481 4.340 -0.004 0.000 0.279 319 R C 0.375 176.575 176.300 -0.165 0.000 1.076 319 R CA -0.400 55.572 56.100 -0.213 0.000 1.203 319 R CB 0.398 30.405 30.300 -0.488 0.000 1.137 319 R HN 0.817 nan 8.270 nan 0.000 0.541 320 K N 1.213 121.505 120.400 -0.179 0.000 2.401 320 K HA 0.024 4.342 4.320 -0.004 0.000 0.278 320 K C -0.287 176.255 176.600 -0.097 0.000 1.018 320 K CA -0.270 55.946 56.287 -0.118 0.000 0.981 320 K CB 0.960 33.395 32.500 -0.108 0.000 0.933 320 K HN 0.333 nan 8.250 nan 0.000 0.477 355 W N 1.867 123.191 121.300 0.042 0.000 3.194 355 W HA 0.187 4.845 4.660 -0.003 0.000 0.408 355 W C 0.556 177.087 176.519 0.020 0.000 1.072 355 W CA 0.120 57.480 57.345 0.025 0.000 1.953 355 W CB -0.344 29.124 29.460 0.014 0.000 1.091 355 W HN 0.650 nan 8.180 nan 0.000 0.699 356 D N -2.549 117.977 120.400 0.209 0.000 2.469 356 D HA 0.049 4.687 4.640 -0.004 0.000 0.213 356 D C 0.392 176.749 176.300 0.094 0.000 1.135 356 D CA 0.046 54.127 54.000 0.135 0.000 0.834 356 D CB -0.604 40.264 40.800 0.113 0.000 1.009 356 D HN -0.232 nan 8.370 nan 0.000 0.507 357 C N 2.305 121.660 119.300 0.091 0.000 2.615 357 C HA 0.190 4.648 4.460 -0.004 0.000 0.503 357 C C 1.042 176.044 174.990 0.019 0.000 1.039 357 C CA -0.844 58.190 59.018 0.027 0.000 1.226 357 C CB -1.321 26.419 27.740 0.000 0.000 1.447 357 C HN 0.312 nan 8.230 nan 0.000 0.572 358 D N 0.841 121.254 120.400 0.021 0.000 2.403 358 D HA -0.075 4.562 4.640 -0.004 0.000 0.227 358 D C 1.249 177.550 176.300 0.002 0.000 0.995 358 D CA 0.688 54.700 54.000 0.020 0.000 0.928 358 D CB 0.190 41.000 40.800 0.015 0.000 0.887 358 D HN 0.449 nan 8.370 nan 0.000 0.529 359 R N 2.164 122.644 120.500 -0.034 0.000 2.623 359 R HA -0.016 4.322 4.340 -0.004 0.000 0.271 359 R C 0.321 176.623 176.300 0.002 0.000 1.043 359 R CA -0.008 56.062 56.100 -0.051 0.000 1.083 359 R CB 0.421 30.640 30.300 -0.134 0.000 0.974 359 R HN -0.218 nan 8.270 nan 0.000 0.436 360 K N 3.294 123.703 120.400 0.014 0.000 2.440 360 K HA -0.049 4.269 4.320 -0.004 0.000 0.270 360 K C 0.136 176.813 176.600 0.128 0.000 0.980 360 K CA 0.157 56.493 56.287 0.080 0.000 0.953 360 K CB 0.089 32.625 32.500 0.060 0.000 0.925 360 K HN 0.464 nan 8.250 nan 0.000 0.497 361 F N 2.168 122.175 119.950 0.094 0.000 2.382 361 F HA 0.282 4.807 4.527 -0.004 0.000 0.331 361 F C 0.351 176.305 175.800 0.256 0.000 1.121 361 F CA -0.222 57.865 58.000 0.144 0.000 1.183 361 F CB 0.778 39.854 39.000 0.127 0.000 1.207 361 F HN 0.577 nan 8.300 nan 0.000 0.555 362 R N 3.756 123.705 120.500 -0.918 0.000 2.664 362 R HA 0.677 5.015 4.340 -0.004 0.000 0.260 362 R C -2.528 173.541 176.300 -0.385 0.000 1.062 362 R CA -1.126 54.747 56.100 -0.378 0.000 0.902 362 R CB 1.288 31.576 30.300 -0.020 0.000 1.258 362 R HN 0.676 nan 8.270 nan 0.000 0.465 363 V N 1.594 121.491 119.914 -0.028 0.000 2.760 363 V HA 0.540 4.658 4.120 -0.004 0.000 0.309 363 V C -1.159 174.789 176.094 -0.244 0.000 1.077 363 V CA -0.767 61.493 62.300 -0.067 0.000 0.910 363 V CB 2.119 34.002 31.823 0.099 0.000 1.008 363 V HN 0.835 nan 8.190 nan 0.000 0.424 364 K N 6.269 126.206 120.400 -0.772 0.000 2.156 364 K HA 0.540 4.858 4.320 -0.004 0.000 0.271 364 K C -1.081 175.258 176.600 -0.436 0.000 0.995 364 K CA -0.776 54.951 56.287 -0.933 0.000 0.890 364 K CB 1.212 32.571 32.500 -1.901 0.000 1.073 364 K HN 0.644 nan 8.250 nan 0.000 0.454 365 I N 6.200 126.612 120.570 -0.264 0.000 2.306 365 I HA 0.200 4.368 4.170 -0.004 0.000 0.288 365 I C 1.317 177.429 176.117 -0.008 0.000 1.036 365 I CA -0.291 60.949 61.300 -0.100 0.000 1.221 365 I CB 0.903 38.854 38.000 -0.081 0.000 1.385 365 I HN 0.719 nan 8.210 nan 0.000 0.472 366 R N 4.053 124.550 120.500 -0.005 0.000 2.055 366 R HA 0.286 4.624 4.340 -0.004 0.000 0.228 366 R C 0.854 177.232 176.300 0.131 0.000 1.143 366 R CA 0.667 56.787 56.100 0.034 0.000 0.945 366 R CB 0.083 30.378 30.300 -0.008 0.000 0.841 366 R HN 0.754 nan 8.270 nan 0.000 0.429 367 G N 0.751 109.642 108.800 0.151 0.000 2.377 367 G HA2 0.343 4.301 3.960 -0.004 0.000 0.297 367 G HA3 0.343 4.301 3.960 -0.004 0.000 0.297 367 G C -1.311 173.674 174.900 0.142 0.000 1.547 367 G CA -0.951 44.264 45.100 0.192 0.000 0.833 367 G HN 0.207 nan 8.290 nan 0.000 0.583 368 I N -1.401 119.273 120.570 0.174 0.000 2.437 368 I HA 0.848 5.016 4.170 -0.004 0.000 0.298 368 I C -1.163 174.963 176.117 0.014 0.000 0.984 368 I CA -0.809 60.555 61.300 0.105 0.000 1.214 368 I CB 2.208 40.334 38.000 0.212 0.000 1.365 368 I HN 0.279 nan 8.210 nan 0.000 0.469 369 D N 5.079 125.450 120.400 -0.048 0.000 2.780 369 D HA 0.670 5.308 4.640 -0.004 0.000 0.242 369 D C -1.315 174.926 176.300 -0.099 0.000 1.135 369 D CA -0.325 53.631 54.000 -0.073 0.000 0.859 369 D CB 2.844 43.600 40.800 -0.074 0.000 1.530 369 D HN 0.721 nan 8.370 nan 0.000 0.493 370 I N 3.378 123.887 120.570 -0.101 0.000 2.586 370 I HA 0.334 4.502 4.170 -0.004 0.000 0.288 370 I C -2.144 173.915 176.117 -0.096 0.000 1.147 370 I CA -2.302 58.933 61.300 -0.108 0.000 1.047 370 I CB 2.347 40.273 38.000 -0.123 0.000 1.244 370 I HN 0.258 nan 8.210 nan 0.000 0.429 371 P HA -0.127 nan 4.420 nan 0.000 0.216 371 P C -0.453 176.809 177.300 -0.063 0.000 1.154 371 P CA 1.170 64.236 63.100 -0.057 0.000 0.865 371 P CB 0.050 31.726 31.700 -0.040 0.000 0.789 372 V N -1.000 118.879 119.914 -0.058 0.000 2.841 372 V HA 0.371 4.489 4.120 -0.004 0.000 0.310 372 V C -0.112 175.947 176.094 -0.058 0.000 1.090 372 V CA -1.060 61.207 62.300 -0.054 0.000 0.930 372 V CB 2.074 33.883 31.823 -0.023 0.000 1.014 372 V HN -0.134 nan 8.190 nan 0.000 0.425 373 L N 1.810 122.983 121.223 -0.084 0.000 2.322 373 L HA 0.910 5.248 4.340 -0.004 0.000 0.269 373 L C -2.487 174.385 176.870 0.003 0.000 1.012 373 L CA -1.945 52.844 54.840 -0.085 0.000 0.815 373 L CB 0.524 42.418 42.059 -0.274 0.000 1.295 373 L HN 0.356 nan 8.230 nan 0.000 0.438 374 P HA 0.133 nan 4.420 nan 0.000 0.269 374 P C 0.225 177.558 177.300 0.056 0.000 1.217 374 P CA -0.442 62.710 63.100 0.086 0.000 0.783 374 P CB 0.562 32.345 31.700 0.138 0.000 0.898 375 R N 0.052 120.582 120.500 0.049 0.000 2.070 375 R HA -0.089 4.249 4.340 -0.004 0.000 0.232 375 R C 0.939 177.264 176.300 0.043 0.000 1.138 375 R CA 1.372 57.493 56.100 0.036 0.000 0.936 375 R CB -1.633 28.686 30.300 0.032 0.000 0.839 375 R HN 0.430 nan 8.270 nan 0.000 0.429 376 T N 0.856 115.442 114.554 0.053 0.000 2.734 376 T HA 0.303 4.650 4.350 -0.004 0.000 0.269 376 T C 0.279 175.024 174.700 0.076 0.000 0.964 376 T CA -0.010 62.125 62.100 0.058 0.000 1.226 376 T CB 0.120 69.023 68.868 0.059 0.000 0.910 376 T HN 0.450 nan 8.240 nan 0.000 0.534 377 A N 4.457 127.314 122.820 0.062 0.000 2.336 377 A HA 0.523 4.841 4.320 -0.004 0.000 0.278 377 A C 0.638 178.272 177.584 0.084 0.000 1.371 377 A CA -0.296 51.782 52.037 0.070 0.000 0.842 377 A CB 0.102 19.126 19.000 0.040 0.000 1.363 377 A HN 0.892 nan 8.150 nan 0.000 0.517 378 D N -1.215 119.237 120.400 0.085 0.000 2.848 378 D HA -0.113 4.525 4.640 -0.004 0.000 0.245 378 D C -0.877 175.493 176.300 0.116 0.000 1.122 378 D CA 0.972 55.025 54.000 0.088 0.000 0.769 378 D CB -1.293 39.546 40.800 0.064 0.000 1.025 378 D HN 0.423 nan 8.370 nan 0.000 0.423 379 L N -0.418 120.907 121.223 0.170 0.000 2.301 379 L HA 0.661 4.999 4.340 -0.004 0.000 0.264 379 L C 0.721 177.708 176.870 0.194 0.000 1.016 379 L CA -0.699 54.252 54.840 0.185 0.000 0.821 379 L CB 2.289 44.502 42.059 0.256 0.000 1.346 379 L HN 0.000 nan 8.230 nan 0.000 0.429 380 T N 1.335 115.972 114.554 0.140 0.000 2.841 380 T HA 0.710 5.058 4.350 -0.004 0.000 0.283 380 T C -1.075 173.705 174.700 0.133 0.000 1.000 380 T CA -0.481 61.721 62.100 0.169 0.000 0.977 380 T CB 1.283 70.255 68.868 0.174 0.000 0.979 380 T HN 0.507 nan 8.240 nan 0.000 0.446 381 V N 2.858 122.899 119.914 0.212 0.000 3.049 381 V HA 1.020 5.138 4.120 -0.004 0.000 0.309 381 V C -1.397 174.983 176.094 0.477 0.000 1.148 381 V CA -1.326 61.068 62.300 0.156 0.000 0.990 381 V CB 1.542 33.325 31.823 -0.067 0.000 1.039 381 V HN 0.965 nan 8.190 nan 0.000 0.430 382 F N 0.751 120.838 119.950 0.228 0.000 2.654 382 F HA 0.898 5.423 4.527 -0.003 0.000 0.308 382 F C -1.160 174.572 175.800 -0.113 0.000 1.108 382 F CA -1.351 56.657 58.000 0.014 0.000 0.957 382 F CB 1.420 40.408 39.000 -0.019 0.000 1.309 382 F HN 0.424 nan 8.300 nan 0.000 0.446 383 V N 1.775 121.468 119.914 -0.367 0.000 2.432 383 V HA 0.291 4.409 4.120 -0.004 0.000 0.275 383 V C -0.305 175.800 176.094 0.019 0.000 1.043 383 V CA -0.391 61.774 62.300 -0.225 0.000 0.925 383 V CB 1.199 32.807 31.823 -0.358 0.000 0.985 383 V HN 0.865 nan 8.190 nan 0.000 0.466 384 E N 3.985 124.269 120.200 0.139 0.000 2.073 384 E HA 0.614 4.962 4.350 -0.004 0.000 0.269 384 E C -0.410 176.314 176.600 0.207 0.000 0.917 384 E CA -0.635 55.912 56.400 0.245 0.000 0.757 384 E CB 1.220 31.168 29.700 0.412 0.000 1.111 384 E HN 0.817 nan 8.360 nan 0.000 0.410 385 A N 5.088 128.043 122.820 0.225 0.000 2.260 385 A HA 0.391 4.709 4.320 -0.004 0.000 0.308 385 A C -0.576 177.261 177.584 0.421 0.000 1.254 385 A CA -0.516 51.715 52.037 0.325 0.000 0.874 385 A CB 0.357 19.624 19.000 0.445 0.000 1.153 385 A HN 0.800 nan 8.150 nan 0.000 0.527 386 N N 1.606 120.432 118.700 0.210 0.000 2.272 386 N HA 0.435 5.173 4.740 -0.004 0.000 0.305 386 N C -1.152 174.281 175.510 -0.127 0.000 1.103 386 N CA -0.823 52.285 53.050 0.096 0.000 0.791 386 N CB 1.686 40.231 38.487 0.097 0.000 1.356 386 N HN 0.402 nan 8.380 nan 0.000 0.486 387 I N 2.480 122.906 120.570 -0.240 0.000 2.317 387 I HA 0.170 4.338 4.170 -0.004 0.000 0.286 387 I C 0.289 176.322 176.117 -0.141 0.000 1.119 387 I CA 0.064 61.172 61.300 -0.321 0.000 1.228 387 I CB -0.031 37.686 38.000 -0.471 0.000 1.476 387 I HN 0.456 nan 8.210 nan 0.000 0.514 388 Q N 3.506 123.255 119.800 -0.085 0.000 2.312 388 Q HA 0.384 4.722 4.340 -0.004 0.000 0.236 388 Q C -1.465 174.562 176.000 0.045 0.000 0.965 388 Q CA -0.125 55.662 55.803 -0.027 0.000 0.894 388 Q CB 1.806 30.521 28.738 -0.038 0.000 1.225 388 Q HN 0.432 nan 8.270 nan 0.000 0.478 389 Y N -1.007 119.211 120.300 -0.136 0.000 2.314 389 Y HA 0.319 4.867 4.550 -0.004 0.000 0.317 389 Y C 0.154 175.932 175.900 -0.205 0.000 1.234 389 Y CA 0.304 58.301 58.100 -0.171 0.000 1.111 389 Y CB 1.389 39.760 38.460 -0.147 0.000 1.283 389 Y HN 0.760 nan 8.280 nan 0.000 0.418 390 G N 4.639 113.097 108.800 -0.569 0.000 2.283 390 G HA2 -0.363 3.595 3.960 -0.004 0.000 0.280 390 G HA3 -0.363 3.595 3.960 -0.004 0.000 0.280 390 G C 0.568 175.287 174.900 -0.302 0.000 1.029 390 G CA 1.677 46.487 45.100 -0.484 0.000 0.840 390 G HN 1.295 nan 8.290 nan 0.000 0.505 391 Q N -2.771 116.898 119.800 -0.219 0.000 2.258 391 Q HA -0.290 4.048 4.340 -0.004 0.000 0.167 391 Q C 0.836 176.764 176.000 -0.120 0.000 0.586 391 Q CA 2.591 58.297 55.803 -0.162 0.000 1.398 391 Q CB -1.334 27.289 28.738 -0.193 0.000 1.415 391 Q HN 1.296 nan 8.270 nan 0.000 0.903 392 Q N 0.350 120.092 119.800 -0.097 0.000 2.230 392 Q HA 0.558 4.896 4.340 -0.004 0.000 0.248 392 Q C 0.144 176.137 176.000 -0.011 0.000 0.915 392 Q CA -0.250 55.524 55.803 -0.049 0.000 0.900 392 Q CB 1.813 30.535 28.738 -0.026 0.000 1.229 392 Q HN 0.345 nan 8.270 nan 0.000 0.439 393 V N 1.670 121.581 119.914 -0.005 0.000 2.461 393 V HA 0.184 4.302 4.120 -0.004 0.000 0.275 393 V C 0.565 176.666 176.094 0.011 0.000 1.047 393 V CA -0.394 61.911 62.300 0.009 0.000 0.955 393 V CB 0.454 32.293 31.823 0.027 0.000 0.988 393 V HN 0.974 nan 8.190 nan 0.000 0.471 394 L N 2.926 124.146 121.223 -0.004 0.000 2.168 394 L HA 0.300 4.638 4.340 -0.004 0.000 0.203 394 L C 1.023 177.902 176.870 0.015 0.000 1.078 394 L CA 1.004 55.835 54.840 -0.014 0.000 0.780 394 L CB 0.357 42.380 42.059 -0.061 0.000 0.939 394 L HN 0.796 nan 8.230 nan 0.000 0.451 395 C N -1.272 118.048 119.300 0.033 0.000 3.288 395 C HA 0.520 4.978 4.460 -0.004 0.000 0.318 395 C C -1.268 173.884 174.990 0.270 0.000 1.356 395 C CA -0.577 58.540 59.018 0.165 0.000 1.359 395 C CB 2.138 30.042 27.740 0.272 0.000 1.688 395 C HN 0.354 nan 8.230 nan 0.000 0.467 396 Q N 2.446 122.457 119.800 0.352 0.000 2.309 396 Q HA 0.655 4.992 4.340 -0.004 0.000 0.273 396 Q C -1.495 174.625 176.000 0.201 0.000 1.040 396 Q CA -0.586 55.421 55.803 0.339 0.000 0.834 396 Q CB 1.674 30.516 28.738 0.172 0.000 1.345 396 Q HN 0.741 nan 8.270 nan 0.000 0.414 397 R N 2.140 122.726 120.500 0.143 0.000 2.740 397 R HA 0.621 4.959 4.340 -0.004 0.000 0.273 397 R C -0.844 175.441 176.300 -0.024 0.000 0.998 397 R CA -0.642 55.393 56.100 -0.109 0.000 0.900 397 R CB 2.263 32.251 30.300 -0.520 0.000 1.223 397 R HN 0.732 nan 8.270 nan 0.000 0.466 398 R N -0.459 119.997 120.500 -0.074 0.000 3.045 398 R HA 0.618 4.956 4.340 -0.004 0.000 0.245 398 R C -0.261 175.957 176.300 -0.137 0.000 1.333 398 R CA -0.736 55.337 56.100 -0.045 0.000 1.036 398 R CB 1.833 32.085 30.300 -0.080 0.000 1.340 398 R HN 0.789 nan 8.270 nan 0.000 0.488 399 T N -2.100 112.348 114.554 -0.176 0.000 2.888 399 T HA 0.346 4.694 4.350 -0.004 0.000 0.288 399 T C -0.323 174.293 174.700 -0.140 0.000 1.063 399 T CA -0.995 60.921 62.100 -0.307 0.000 1.010 399 T CB 1.482 69.802 68.868 -0.914 0.000 1.214 399 T HN 0.528 nan 8.240 nan 0.000 0.533 400 S N 1.096 116.807 115.700 0.017 0.000 2.465 400 S HA 0.343 4.810 4.470 -0.004 0.000 0.280 400 S C -2.696 172.132 174.600 0.379 0.000 1.232 400 S CA -1.060 57.243 58.200 0.171 0.000 1.066 400 S CB -0.504 62.824 63.200 0.213 0.000 0.929 400 S HN 0.565 nan 8.310 nan 0.000 0.494 401 P HA 0.109 nan 4.420 nan 0.000 0.258 401 P C -0.286 177.211 177.300 0.329 0.000 1.187 401 P CA 0.318 63.626 63.100 0.347 0.000 0.767 401 P CB 0.206 32.008 31.700 0.170 0.000 0.770 402 K N 4.762 125.402 120.400 0.399 0.000 2.306 402 K HA 0.571 4.889 4.320 -0.004 0.000 0.236 402 K C -2.586 174.131 176.600 0.194 0.000 1.013 402 K CA -2.440 53.978 56.287 0.217 0.000 0.857 402 K CB 0.802 33.341 32.500 0.064 0.000 1.214 402 K HN 0.126 nan 8.250 nan 0.000 0.449 403 P HA -0.000 nan 4.420 nan 0.000 0.272 403 P C -1.024 176.409 177.300 0.221 0.000 1.230 403 P CA -0.129 63.060 63.100 0.149 0.000 0.788 403 P CB 0.316 32.068 31.700 0.085 0.000 0.949 404 F N 2.317 122.294 119.950 0.045 0.000 2.390 404 F HA 0.472 4.997 4.527 -0.004 0.000 0.361 404 F C 0.277 176.086 175.800 0.014 0.000 1.124 404 F CA 0.052 58.078 58.000 0.042 0.000 1.149 404 F CB -0.100 38.944 39.000 0.074 0.000 1.160 404 F HN 0.073 nan 8.300 nan 0.000 0.501 405 T N 3.556 117.979 114.554 -0.218 0.000 2.883 405 T HA 0.258 4.606 4.350 -0.004 0.000 0.301 405 T C 0.929 175.418 174.700 -0.351 0.000 1.158 405 T CA -0.443 61.486 62.100 -0.286 0.000 1.007 405 T CB 1.198 69.983 68.868 -0.138 0.000 1.186 405 T HN 0.666 nan 8.240 nan 0.000 0.499 406 E N 0.832 120.861 120.200 -0.286 0.000 2.197 406 E HA -0.190 4.158 4.350 -0.004 0.000 0.205 406 E C 0.513 177.011 176.600 -0.170 0.000 1.029 406 E CA 1.309 57.574 56.400 -0.224 0.000 0.828 406 E CB 0.117 29.728 29.700 -0.149 0.000 0.737 406 E HN 0.593 nan 8.360 nan 0.000 0.464 407 E N 0.023 120.134 120.200 -0.149 0.000 2.246 407 E HA 0.330 4.677 4.350 -0.004 0.000 0.266 407 E C -1.736 174.771 176.600 -0.155 0.000 0.880 407 E CA -0.432 55.893 56.400 -0.125 0.000 0.762 407 E CB 1.923 31.562 29.700 -0.102 0.000 1.180 407 E HN -0.165 nan 8.360 nan 0.000 0.416 408 V N 6.298 126.100 119.914 -0.187 0.000 2.380 408 V HA 0.271 4.389 4.120 -0.004 0.000 0.272 408 V C -0.056 175.722 176.094 -0.527 0.000 1.011 408 V CA -0.574 61.501 62.300 -0.376 0.000 0.826 408 V CB 0.747 32.328 31.823 -0.405 0.000 1.040 408 V HN 0.710 nan 8.190 nan 0.000 0.441 409 L N 3.023 124.006 121.223 -0.399 0.000 2.439 409 L HA 0.410 4.748 4.340 -0.004 0.000 0.261 409 L C 0.669 177.298 176.870 -0.403 0.000 1.153 409 L CA 0.188 54.870 54.840 -0.263 0.000 0.808 409 L CB 1.111 43.092 42.059 -0.130 0.000 1.126 409 L HN 0.591 nan 8.230 nan 0.000 0.460 410 W N -0.393 120.913 121.300 0.010 0.000 5.070 410 W HA 0.072 4.730 4.660 -0.004 0.000 0.176 410 W C 0.778 177.296 176.519 -0.001 0.000 1.077 410 W CA 0.131 57.485 57.345 0.014 0.000 1.880 410 W CB -0.072 29.399 29.460 0.019 0.000 0.615 410 W HN 0.700 nan 8.180 nan 0.000 1.044 411 N N 0.881 119.708 118.700 0.211 0.000 2.735 411 N HA -0.175 4.563 4.740 -0.004 0.000 0.248 411 N C -1.251 174.310 175.510 0.085 0.000 1.083 411 N CA 0.639 53.740 53.050 0.085 0.000 0.703 411 N CB -1.109 37.422 38.487 0.074 0.000 1.005 411 N HN -0.199 nan 8.380 nan 0.000 0.550 412 V N 0.672 120.637 119.914 0.085 0.000 2.435 412 V HA 0.444 4.561 4.120 -0.004 0.000 0.290 412 V C 0.471 176.552 176.094 -0.021 0.000 1.030 412 V CA -0.603 61.742 62.300 0.075 0.000 0.881 412 V CB 0.919 32.789 31.823 0.078 0.000 0.983 412 V HN 0.248 nan 8.190 nan 0.000 0.445 413 W N 4.646 125.939 121.300 -0.013 0.000 2.316 413 W HA 0.576 5.234 4.660 -0.004 0.000 0.311 413 W C -0.212 176.247 176.519 -0.100 0.000 1.217 413 W CA -0.275 57.042 57.345 -0.047 0.000 1.199 413 W CB 0.951 30.382 29.460 -0.048 0.000 1.202 413 W HN 0.363 nan 8.180 nan 0.000 0.528 414 L N 4.003 125.287 121.223 0.101 0.000 2.277 414 L HA 0.294 4.632 4.340 -0.004 0.000 0.284 414 L C 0.015 176.805 176.870 -0.134 0.000 1.028 414 L CA -0.613 54.162 54.840 -0.109 0.000 0.835 414 L CB 1.050 42.974 42.059 -0.224 0.000 1.215 414 L HN 0.398 nan 8.230 nan 0.000 0.425 415 E N 3.319 123.432 120.200 -0.144 0.000 2.115 415 E HA 0.374 4.722 4.350 -0.004 0.000 0.282 415 E C -0.794 175.719 176.600 -0.146 0.000 0.987 415 E CA -0.577 55.775 56.400 -0.081 0.000 0.797 415 E CB 0.882 30.556 29.700 -0.043 0.000 1.086 415 E HN 0.266 nan 8.360 nan 0.000 0.397 416 F N 1.363 121.392 119.950 0.131 0.000 2.251 416 F HA 0.168 4.693 4.527 -0.003 0.000 0.302 416 F C 1.730 177.600 175.800 0.116 0.000 1.143 416 F CA -0.244 57.855 58.000 0.164 0.000 1.104 416 F CB 0.854 40.033 39.000 0.299 0.000 1.516 416 F HN 0.450 nan 8.300 nan 0.000 0.511 417 S N -0.279 115.620 115.700 0.332 0.000 2.452 417 S HA 0.143 4.611 4.470 -0.004 0.000 0.225 417 S C 0.690 175.379 174.600 0.147 0.000 1.057 417 S CA -0.239 58.066 58.200 0.175 0.000 0.949 417 S CB 0.015 63.286 63.200 0.119 0.000 0.836 417 S HN 0.430 nan 8.310 nan 0.000 0.518 418 I N 3.509 124.165 120.570 0.143 0.000 2.741 418 I HA -0.033 4.135 4.170 -0.004 0.000 0.288 418 I C -0.311 175.867 176.117 0.103 0.000 1.192 418 I CA 0.065 61.407 61.300 0.070 0.000 1.426 418 I CB 0.429 38.423 38.000 -0.010 0.000 1.367 418 I HN 0.119 nan 8.210 nan 0.000 0.563 419 K N 7.383 127.823 120.400 0.066 0.000 2.258 419 K HA 0.126 4.444 4.320 -0.004 0.000 0.264 419 K C 1.071 177.723 176.600 0.086 0.000 1.007 419 K CA -0.777 55.558 56.287 0.080 0.000 0.941 419 K CB 0.943 33.472 32.500 0.047 0.000 0.966 419 K HN 0.537 nan 8.250 nan 0.000 0.480 420 I N 2.604 123.246 120.570 0.119 0.000 2.315 420 I HA -0.303 3.865 4.170 -0.004 0.000 0.251 420 I C 2.101 178.296 176.117 0.131 0.000 1.125 420 I CA 1.786 63.163 61.300 0.127 0.000 1.392 420 I CB -1.189 36.890 38.000 0.131 0.000 1.065 420 I HN 0.707 nan 8.210 nan 0.000 0.424 421 K N 0.390 120.875 120.400 0.143 0.000 2.283 421 K HA -0.135 4.183 4.320 -0.004 0.000 0.202 421 K C 1.108 177.809 176.600 0.167 0.000 1.048 421 K CA 1.392 57.820 56.287 0.235 0.000 0.948 421 K CB -0.153 32.452 32.500 0.175 0.000 0.742 421 K HN 0.226 nan 8.250 nan 0.000 0.458 422 D N 1.111 121.548 120.400 0.061 0.000 2.305 422 D HA 0.058 4.696 4.640 -0.004 0.000 0.206 422 D C 0.480 176.764 176.300 -0.026 0.000 0.974 422 D CA 0.194 54.187 54.000 -0.011 0.000 0.871 422 D CB 0.077 40.849 40.800 -0.046 0.000 0.947 422 D HN 0.163 nan 8.370 nan 0.000 0.516 423 L N 4.029 125.242 121.223 -0.016 0.000 2.660 423 L HA 0.032 4.369 4.340 -0.004 0.000 0.272 423 L C -1.864 174.993 176.870 -0.022 0.000 1.194 423 L CA -0.725 54.070 54.840 -0.074 0.000 0.945 423 L CB -0.123 41.878 42.059 -0.096 0.000 1.212 423 L HN -0.125 nan 8.230 nan 0.000 0.490 424 P HA 0.088 nan 4.420 nan 0.000 0.281 424 P C -0.898 176.441 177.300 0.064 0.000 1.249 424 P CA -0.788 62.271 63.100 -0.069 0.000 0.810 424 P CB 1.030 32.489 31.700 -0.401 0.000 1.008 425 K N 1.280 121.781 120.400 0.168 0.000 2.402 425 K HA 0.293 4.611 4.320 -0.004 0.000 0.285 425 K C 0.923 177.709 176.600 0.310 0.000 1.054 425 K CA 0.836 57.237 56.287 0.190 0.000 1.001 425 K CB -0.919 31.655 32.500 0.123 0.000 0.946 425 K HN 0.811 nan 8.250 nan 0.000 0.473 426 G N 2.080 111.038 108.800 0.262 0.000 2.192 426 G HA2 -0.187 3.771 3.960 -0.004 0.000 0.193 426 G HA3 -0.187 3.771 3.960 -0.004 0.000 0.193 426 G C -0.025 174.923 174.900 0.080 0.000 0.999 426 G CA -0.188 44.970 45.100 0.098 0.000 0.659 426 G HN 0.867 nan 8.290 nan 0.000 0.503 427 A N 0.313 123.251 122.820 0.195 0.000 2.425 427 A HA 0.752 5.070 4.320 -0.004 0.000 0.249 427 A C 0.298 177.861 177.584 -0.034 0.000 1.084 427 A CA 0.209 52.342 52.037 0.160 0.000 0.781 427 A CB 0.429 19.435 19.000 0.010 0.000 1.019 427 A HN 0.825 nan 8.150 nan 0.000 0.490 428 L N 2.065 123.250 121.223 -0.063 0.000 2.346 428 L HA 0.375 4.712 4.340 -0.004 0.000 0.276 428 L C -0.552 176.246 176.870 -0.120 0.000 1.006 428 L CA -0.943 53.837 54.840 -0.099 0.000 0.817 428 L CB 1.816 43.824 42.059 -0.084 0.000 1.272 428 L HN 0.694 nan 8.230 nan 0.000 0.421 429 L N 4.185 125.337 121.223 -0.120 0.000 2.328 429 L HA 0.260 4.598 4.340 -0.004 0.000 0.280 429 L C 0.116 176.967 176.870 -0.032 0.000 1.111 429 L CA 0.238 55.013 54.840 -0.108 0.000 0.909 429 L CB -0.018 41.995 42.059 -0.076 0.000 1.277 429 L HN 0.537 nan 8.230 nan 0.000 0.433 430 N N 5.983 124.678 118.700 -0.008 0.000 2.402 430 N HA 0.144 4.882 4.740 -0.004 0.000 0.252 430 N C -1.152 174.415 175.510 0.094 0.000 1.118 430 N CA -0.321 52.761 53.050 0.053 0.000 0.945 430 N CB 0.450 38.967 38.487 0.051 0.000 1.147 430 N HN 0.665 nan 8.380 nan 0.000 0.495 431 L N 3.127 124.410 121.223 0.101 0.000 2.276 431 L HA 0.335 4.673 4.340 -0.004 0.000 0.286 431 L C 0.405 177.346 176.870 0.119 0.000 1.061 431 L CA -0.401 54.500 54.840 0.102 0.000 0.807 431 L CB 1.319 43.416 42.059 0.063 0.000 1.177 431 L HN 0.411 nan 8.230 nan 0.000 0.429 432 Q N 3.842 123.704 119.800 0.103 0.000 2.484 432 Q HA 0.702 5.040 4.340 -0.004 0.000 0.285 432 Q C -1.235 174.730 176.000 -0.058 0.000 1.097 432 Q CA -0.913 54.913 55.803 0.038 0.000 0.802 432 Q CB 3.467 32.209 28.738 0.005 0.000 1.444 432 Q HN 0.493 nan 8.270 nan 0.000 0.429 433 I N 1.282 121.720 120.570 -0.219 0.000 2.534 433 I HA 0.381 4.549 4.170 -0.004 0.000 0.288 433 I C -1.469 174.326 176.117 -0.537 0.000 1.077 433 I CA -0.715 60.426 61.300 -0.265 0.000 1.051 433 I CB 1.396 39.382 38.000 -0.023 0.000 1.234 433 I HN 0.532 nan 8.210 nan 0.000 0.425 434 Y N 4.450 124.380 120.300 -0.616 0.000 2.446 434 Y HA 0.570 5.118 4.550 -0.003 0.000 0.338 434 Y C 0.306 175.938 175.900 -0.446 0.000 1.055 434 Y CA -0.463 57.321 58.100 -0.527 0.000 1.101 434 Y CB 1.910 40.015 38.460 -0.592 0.000 1.221 434 Y HN 0.599 nan 8.280 nan 0.000 0.460 460 L N 4.477 125.613 121.223 -0.144 0.000 2.367 460 L HA 0.297 4.635 4.340 -0.004 0.000 0.275 460 L C -0.519 176.119 176.870 -0.386 0.000 1.129 460 L CA 0.757 55.249 54.840 -0.580 0.000 0.839 460 L CB 0.601 42.316 42.059 -0.572 0.000 1.133 460 L HN 0.904 nan 8.230 nan 0.000 0.453 461 L N 4.069 125.018 121.223 -0.456 0.000 2.641 461 L HA 0.265 4.602 4.340 -0.004 0.000 0.207 461 L C -0.632 175.893 176.870 -0.575 0.000 1.049 461 L CA -0.246 54.255 54.840 -0.565 0.000 0.866 461 L CB 0.210 41.779 42.059 -0.817 0.000 1.264 461 L HN 0.437 nan 8.230 nan 0.000 0.483 462 Y N -0.482 119.776 120.300 -0.069 0.000 2.524 462 Y HA 0.540 5.087 4.550 -0.004 0.000 0.344 462 Y C -0.688 175.250 175.900 0.064 0.000 1.012 462 Y CA -1.496 56.603 58.100 -0.002 0.000 1.068 462 Y CB 1.467 39.909 38.460 -0.030 0.000 1.249 462 Y HN 0.008 nan 8.280 nan 0.000 0.468 463 Y N -0.663 119.767 120.300 0.216 0.000 2.571 463 Y HA 0.847 5.395 4.550 -0.004 0.000 0.341 463 Y C -2.121 173.915 175.900 0.226 0.000 1.076 463 Y CA -1.536 56.655 58.100 0.152 0.000 1.029 463 Y CB 1.391 39.915 38.460 0.106 0.000 1.308 463 Y HN 0.596 nan 8.280 nan 0.000 0.461 464 V N 2.966 123.044 119.914 0.272 0.000 3.048 464 V HA 0.570 4.688 4.120 -0.004 0.000 0.303 464 V C -1.885 174.328 176.094 0.199 0.000 1.214 464 V CA -0.718 61.702 62.300 0.200 0.000 0.984 464 V CB 2.410 34.243 31.823 0.017 0.000 1.054 464 V HN 1.021 nan 8.190 nan 0.000 0.430 465 N N 3.288 122.099 118.700 0.185 0.000 2.381 465 N HA 0.800 5.538 4.740 -0.004 0.000 0.294 465 N C -1.731 173.793 175.510 0.023 0.000 1.216 465 N CA -0.426 52.684 53.050 0.101 0.000 0.803 465 N CB 2.518 41.075 38.487 0.117 0.000 1.372 465 N HN 0.598 nan 8.380 nan 0.000 0.500 466 L N 0.854 122.054 121.223 -0.039 0.000 2.588 466 L HA 0.436 4.774 4.340 -0.004 0.000 0.263 466 L C -1.573 175.240 176.870 -0.094 0.000 0.935 466 L CA -0.375 54.409 54.840 -0.093 0.000 0.891 466 L CB 1.408 43.313 42.059 -0.258 0.000 1.318 466 L HN 0.452 nan 8.230 nan 0.000 0.409 467 L N 5.545 126.729 121.223 -0.064 0.000 2.462 467 L HA 0.167 4.505 4.340 -0.004 0.000 0.272 467 L C 1.175 178.015 176.870 -0.050 0.000 1.166 467 L CA 0.108 54.901 54.840 -0.080 0.000 0.880 467 L CB 0.684 42.693 42.059 -0.084 0.000 1.142 467 L HN 0.766 nan 8.230 nan 0.000 0.473 468 L N 4.497 125.682 121.223 -0.063 0.000 2.240 468 L HA 0.081 4.419 4.340 -0.004 0.000 0.211 468 L C 0.469 177.347 176.870 0.013 0.000 1.106 468 L CA 0.843 55.651 54.840 -0.053 0.000 0.793 468 L CB 0.029 41.998 42.059 -0.150 0.000 0.927 468 L HN 0.504 nan 8.230 nan 0.000 0.446 469 I N 0.473 121.067 120.570 0.040 0.000 2.382 469 I HA 0.131 4.299 4.170 -0.004 0.000 0.286 469 I C -0.520 175.657 176.117 0.101 0.000 1.002 469 I CA -0.965 60.368 61.300 0.055 0.000 1.135 469 I CB 1.449 39.475 38.000 0.044 0.000 1.288 469 I HN 0.060 nan 8.210 nan 0.000 0.448 470 D N 4.261 124.671 120.400 0.016 0.000 2.393 470 D HA -0.023 4.615 4.640 -0.004 0.000 0.246 470 D C 1.351 177.504 176.300 -0.245 0.000 1.275 470 D CA -0.118 53.870 54.000 -0.021 0.000 0.979 470 D CB 0.375 41.028 40.800 -0.245 0.000 1.101 470 D HN 0.560 nan 8.370 nan 0.000 0.505 471 H N -0.827 118.124 119.070 -0.199 0.000 2.557 471 H HA -0.008 4.546 4.556 -0.004 0.000 0.287 471 H C 0.577 175.680 175.328 -0.374 0.000 1.043 471 H CA 0.676 56.464 56.048 -0.434 0.000 1.226 471 H CB -0.405 29.152 29.762 -0.341 0.000 1.361 471 H HN 0.402 nan 8.280 nan 0.000 0.592 472 R N -0.537 119.682 120.500 -0.470 0.000 2.509 472 R HA 0.124 4.462 4.340 -0.004 0.000 0.300 472 R C -0.374 176.070 176.300 0.239 0.000 0.985 472 R CA -0.259 55.781 56.100 -0.100 0.000 1.092 472 R CB 0.287 30.438 30.300 -0.249 0.000 1.237 472 R HN 0.068 nan 8.270 nan 0.000 0.546 473 F N -0.396 119.443 119.950 -0.184 0.000 2.953 473 F HA -0.264 4.261 4.527 -0.004 0.000 0.292 473 F C 0.072 175.817 175.800 -0.091 0.000 0.747 473 F CA 0.235 58.166 58.000 -0.114 0.000 1.222 473 F CB -1.945 36.989 39.000 -0.111 0.000 1.457 473 F HN 0.001 nan 8.300 nan 0.000 0.383 474 L N -0.048 121.194 121.223 0.032 0.000 2.416 474 L HA 0.555 4.893 4.340 -0.004 0.000 0.262 474 L C 0.735 177.653 176.870 0.079 0.000 1.093 474 L CA -1.203 53.667 54.840 0.051 0.000 0.801 474 L CB 0.782 42.854 42.059 0.022 0.000 1.191 474 L HN 0.014 nan 8.230 nan 0.000 0.459 475 L N 1.038 122.352 121.223 0.153 0.000 2.490 475 L HA 0.387 4.725 4.340 -0.004 0.000 0.245 475 L C -0.059 176.955 176.870 0.240 0.000 1.185 475 L CA 0.065 55.020 54.840 0.192 0.000 0.813 475 L CB 0.740 42.942 42.059 0.239 0.000 1.233 475 L HN 0.504 nan 8.230 nan 0.000 0.489 476 R N 0.695 121.345 120.500 0.249 0.000 2.513 476 R HA 0.465 4.803 4.340 -0.004 0.000 0.301 476 R C -1.199 175.281 176.300 0.299 0.000 0.968 476 R CA -0.440 55.777 56.100 0.194 0.000 0.872 476 R CB 0.626 30.959 30.300 0.055 0.000 1.177 476 R HN 0.885 nan 8.270 nan 0.000 0.444 477 H N 1.549 120.784 119.070 0.275 0.000 2.960 477 H HA 0.781 5.335 4.556 -0.004 0.000 0.303 477 H C -0.073 175.464 175.328 0.349 0.000 1.412 477 H CA -0.692 55.523 56.048 0.279 0.000 1.227 477 H CB 1.197 31.096 29.762 0.228 0.000 1.912 477 H HN 0.836 nan 8.280 nan 0.000 0.583 478 G N -0.120 108.879 108.800 0.331 0.000 2.712 478 G HA2 -0.142 3.816 3.960 -0.004 0.000 0.683 478 G HA3 -0.142 3.816 3.960 -0.004 0.000 0.683 478 G C -0.904 174.086 174.900 0.150 0.000 1.320 478 G CA -0.284 44.913 45.100 0.161 0.000 0.847 478 G HN 0.757 nan 8.290 nan 0.000 0.553 479 E N -0.560 119.624 120.200 -0.027 0.000 2.313 479 E HA 0.656 5.004 4.350 -0.004 0.000 0.272 479 E C -1.093 175.377 176.600 -0.216 0.000 1.038 479 E CA -0.192 56.195 56.400 -0.022 0.000 0.863 479 E CB 1.114 30.789 29.700 -0.042 0.000 1.060 479 E HN 0.399 nan 8.360 nan 0.000 0.402 480 Y N 0.190 120.458 120.300 -0.052 0.000 2.470 480 Y HA 0.277 4.824 4.550 -0.004 0.000 0.341 480 Y C -0.357 175.488 175.900 -0.091 0.000 1.021 480 Y CA -0.767 57.286 58.100 -0.077 0.000 1.025 480 Y CB 2.073 40.458 38.460 -0.124 0.000 1.266 480 Y HN 0.094 nan 8.280 nan 0.000 0.448 481 V N 5.305 125.229 119.914 0.018 0.000 2.266 481 V HA 0.315 4.433 4.120 -0.004 0.000 0.266 481 V C -0.502 175.515 176.094 -0.128 0.000 1.036 481 V CA -0.626 61.628 62.300 -0.076 0.000 0.828 481 V CB 0.132 31.904 31.823 -0.085 0.000 1.081 481 V HN 0.554 nan 8.190 nan 0.000 0.449 482 L N 3.973 125.116 121.223 -0.132 0.000 2.281 482 L HA 0.457 4.795 4.340 -0.004 0.000 0.285 482 L C 0.418 177.102 176.870 -0.309 0.000 1.074 482 L CA -0.287 54.468 54.840 -0.141 0.000 0.817 482 L CB 0.328 42.325 42.059 -0.103 0.000 1.168 482 L HN 0.500 nan 8.230 nan 0.000 0.434 483 H N 5.232 124.193 119.070 -0.183 0.000 2.782 483 H HA 0.284 4.838 4.556 -0.003 0.000 0.285 483 H C 0.104 175.175 175.328 -0.428 0.000 1.093 483 H CA -0.249 55.633 56.048 -0.277 0.000 1.410 483 H CB 0.858 30.448 29.762 -0.287 0.000 1.439 483 H HN 0.547 nan 8.280 nan 0.000 0.469 484 M N 2.047 121.458 119.600 -0.315 0.000 2.103 484 M HA 0.068 4.546 4.480 -0.004 0.000 0.291 484 M C -0.110 175.942 176.300 -0.414 0.000 1.216 484 M CA 0.559 55.660 55.300 -0.333 0.000 1.132 484 M CB 0.728 33.226 32.600 -0.170 0.000 1.396 484 M HN 0.454 nan 8.290 nan 0.000 0.479 485 W N 0.001 121.109 121.300 -0.319 0.000 2.627 485 W HA 0.466 5.124 4.660 -0.004 0.000 0.339 485 W C -0.158 176.293 176.519 -0.114 0.000 1.058 485 W CA -0.512 56.628 57.345 -0.342 0.000 1.223 485 W CB 0.963 29.976 29.460 -0.745 0.000 1.389 485 W HN 0.446 nan 8.180 nan 0.000 0.541 486 Q N 1.899 121.909 119.800 0.350 0.000 2.226 486 Q HA 0.550 4.888 4.340 -0.004 0.000 0.256 486 Q C -1.209 174.913 176.000 0.202 0.000 0.962 486 Q CA -0.756 55.214 55.803 0.279 0.000 0.887 486 Q CB 1.454 30.365 28.738 0.287 0.000 1.282 486 Q HN 0.541 nan 8.270 nan 0.000 0.449 487 L N 2.130 123.394 121.223 0.068 0.000 2.272 487 L HA 0.288 4.626 4.340 -0.004 0.000 0.289 487 L C 0.453 177.320 176.870 -0.005 0.000 1.032 487 L CA -0.254 54.619 54.840 0.056 0.000 0.810 487 L CB 1.673 43.722 42.059 -0.017 0.000 1.205 487 L HN 0.668 nan 8.230 nan 0.000 0.422 498 N N -0.262 118.500 118.700 0.103 0.000 2.745 498 N HA 0.553 5.291 4.740 -0.004 0.000 0.256 498 N C 0.156 175.668 175.510 0.004 0.000 1.268 498 N CA -0.154 52.914 53.050 0.030 0.000 0.887 498 N CB 0.941 39.419 38.487 -0.015 0.000 1.575 498 N HN 0.105 nan 8.380 nan 0.000 0.496 499 A N 0.382 123.197 122.820 -0.007 0.000 1.958 499 A HA -0.245 4.073 4.320 -0.004 0.000 0.221 499 A C 1.224 178.808 177.584 -0.000 0.000 1.178 499 A CA 2.150 54.153 52.037 -0.056 0.000 0.642 499 A CB -0.922 17.880 19.000 -0.330 0.000 0.816 499 A HN 0.778 nan 8.150 nan 0.000 0.453 500 D N -0.300 120.048 120.400 -0.085 0.000 2.178 500 D HA -0.113 4.525 4.640 -0.004 0.000 0.201 500 D C 1.748 177.999 176.300 -0.081 0.000 0.980 500 D CA 1.216 55.109 54.000 -0.179 0.000 0.842 500 D CB -0.306 40.050 40.800 -0.740 0.000 0.948 500 D HN 0.506 nan 8.370 nan 0.000 0.472 501 K N 0.022 120.305 120.400 -0.196 0.000 2.360 501 K HA -0.025 4.293 4.320 -0.004 0.000 0.201 501 K C 1.676 178.202 176.600 -0.124 0.000 1.046 501 K CA 0.412 56.427 56.287 -0.454 0.000 0.945 501 K CB 0.057 32.276 32.500 -0.469 0.000 0.750 501 K HN 0.222 nan 8.250 nan 0.000 0.464 502 L N 0.151 121.385 121.223 0.018 0.000 2.567 502 L HA 0.027 4.365 4.340 -0.004 0.000 0.225 502 L C 1.140 178.070 176.870 0.100 0.000 1.119 502 L CA -0.127 54.753 54.840 0.066 0.000 0.871 502 L CB 0.194 42.306 42.059 0.087 0.000 1.036 502 L HN -0.018 nan 8.230 nan 0.000 0.459 503 T N -0.485 114.123 114.554 0.090 0.000 2.928 503 T HA -0.031 4.317 4.350 -0.004 0.000 0.305 503 T C 1.382 176.091 174.700 0.015 0.000 1.035 503 T CA 0.443 62.476 62.100 -0.112 0.000 1.145 503 T CB 0.850 69.456 68.868 -0.438 0.000 0.963 503 T HN 0.376 nan 8.240 nan 0.000 0.545 504 S N 3.596 119.271 115.700 -0.041 0.000 2.527 504 S HA 0.288 4.755 4.470 -0.004 0.000 0.222 504 S C 1.044 175.721 174.600 0.128 0.000 0.985 504 S CA 0.016 58.236 58.200 0.033 0.000 0.921 504 S CB -0.131 63.036 63.200 -0.054 0.000 0.772 504 S HN 0.969 nan 8.310 nan 0.000 0.529 505 A N 2.591 125.468 122.820 0.096 0.000 2.462 505 A HA 0.505 4.823 4.320 -0.004 0.000 0.243 505 A C 0.770 178.521 177.584 0.278 0.000 1.076 505 A CA 0.053 52.181 52.037 0.153 0.000 0.773 505 A CB -0.088 18.955 19.000 0.072 0.000 1.010 505 A HN 0.596 nan 8.150 nan 0.000 0.493 506 T N 0.291 114.905 114.554 0.098 0.000 2.934 506 T HA 0.376 4.724 4.350 -0.004 0.000 0.283 506 T C 0.133 174.515 174.700 -0.531 0.000 1.005 506 T CA -0.919 61.097 62.100 -0.141 0.000 1.041 506 T CB 0.754 69.625 68.868 0.005 0.000 1.042 506 T HN 0.597 nan 8.240 nan 0.000 0.505 507 N N 2.863 120.896 118.700 -1.111 0.000 2.452 507 N HA 0.149 4.887 4.740 -0.004 0.000 0.266 507 N C -1.170 173.997 175.510 -0.571 0.000 1.175 507 N CA -2.185 50.045 53.050 -1.367 0.000 0.945 507 N CB 1.085 38.765 38.487 -1.345 0.000 1.063 507 N HN 0.420 nan 8.380 nan 0.000 0.472 508 P HA -0.105 nan 4.420 nan 0.000 0.217 508 P C 0.065 177.227 177.300 -0.231 0.000 1.151 508 P CA 0.715 63.689 63.100 -0.210 0.000 0.828 508 P CB 0.139 31.796 31.700 -0.072 0.000 0.788 509 D N 1.214 121.487 120.400 -0.212 0.000 2.479 509 D HA -0.034 4.604 4.640 -0.004 0.000 0.253 509 D C 0.907 177.056 176.300 -0.251 0.000 1.278 509 D CA 0.242 54.139 54.000 -0.172 0.000 1.145 509 D CB 0.079 40.818 40.800 -0.101 0.000 1.118 509 D HN 0.135 nan 8.370 nan 0.000 0.513 510 K N 1.556 121.755 120.400 -0.335 0.000 2.418 510 K HA -0.012 4.306 4.320 -0.004 0.000 0.195 510 K C 0.993 177.458 176.600 -0.225 0.000 1.035 510 K CA 0.423 56.404 56.287 -0.511 0.000 1.003 510 K CB 0.581 32.695 32.500 -0.643 0.000 0.793 510 K HN 0.419 nan 8.250 nan 0.000 0.494 511 E N 0.390 120.506 120.200 -0.140 0.000 2.479 511 E HA 0.057 4.405 4.350 -0.004 0.000 0.193 511 E C 0.626 177.196 176.600 -0.051 0.000 1.049 511 E CA 0.108 56.462 56.400 -0.077 0.000 0.870 511 E CB 0.332 29.994 29.700 -0.062 0.000 0.944 511 E HN 0.258 nan 8.360 nan 0.000 0.492 512 N N -0.242 118.426 118.700 -0.053 0.000 1.952 512 N HA -0.025 4.713 4.740 -0.004 0.000 0.231 512 N C 0.154 175.644 175.510 -0.033 0.000 1.378 512 N CA 0.190 53.222 53.050 -0.030 0.000 0.828 512 N CB 0.959 39.439 38.487 -0.013 0.000 1.097 512 N HN -0.024 nan 8.380 nan 0.000 0.476 513 S N 0.941 116.609 115.700 -0.053 0.000 2.601 513 S HA 0.456 4.924 4.470 -0.004 0.000 0.271 513 S C 0.361 174.894 174.600 -0.112 0.000 1.305 513 S CA -0.582 57.569 58.200 -0.082 0.000 1.022 513 S CB 1.520 64.648 63.200 -0.120 0.000 0.940 513 S HN 0.158 nan 8.310 nan 0.000 0.525 514 M N 3.562 122.982 119.600 -0.302 0.000 2.245 514 M HA 0.388 4.865 4.480 -0.004 0.000 0.344 514 M C -0.028 176.092 176.300 -0.300 0.000 1.170 514 M CA 0.420 55.477 55.300 -0.405 0.000 1.135 514 M CB 0.586 32.622 32.600 -0.940 0.000 1.574 514 M HN 0.926 nan 8.290 nan 0.000 0.452 515 S N 5.476 121.014 115.700 -0.270 0.000 2.677 515 S HA 0.870 5.338 4.470 -0.004 0.000 0.304 515 S C -0.746 173.717 174.600 -0.228 0.000 1.108 515 S CA -1.000 56.972 58.200 -0.379 0.000 0.944 515 S CB 1.472 64.319 63.200 -0.588 0.000 1.127 515 S HN 1.004 nan 8.310 nan 0.000 0.511 516 I N 0.628 121.072 120.570 -0.211 0.000 2.722 516 I HA 0.568 4.736 4.170 -0.004 0.000 0.295 516 I C -1.515 174.553 176.117 -0.082 0.000 1.161 516 I CA -0.374 60.873 61.300 -0.089 0.000 1.032 516 I CB 2.206 40.181 38.000 -0.041 0.000 1.244 516 I HN 0.785 nan 8.210 nan 0.000 0.421 517 S N 7.771 123.451 115.700 -0.033 0.000 2.454 517 S HA 0.747 5.215 4.470 -0.004 0.000 0.306 517 S C -0.407 174.186 174.600 -0.011 0.000 1.100 517 S CA -0.589 57.596 58.200 -0.024 0.000 1.087 517 S CB 1.361 64.546 63.200 -0.026 0.000 1.019 517 S HN 0.598 nan 8.310 nan 0.000 0.480 518 I N -0.179 120.393 120.570 0.003 0.000 3.343 518 I HA 0.897 5.065 4.170 -0.004 0.000 0.315 518 I C -1.861 174.252 176.117 -0.007 0.000 1.153 518 I CA -1.541 59.744 61.300 -0.025 0.000 0.952 518 I CB 1.954 39.945 38.000 -0.014 0.000 1.287 518 I HN 0.532 nan 8.210 nan 0.000 0.472 519 L N 2.405 123.580 121.223 -0.081 0.000 2.493 519 L HA 0.679 5.017 4.340 -0.004 0.000 0.265 519 L C -2.242 174.608 176.870 -0.033 0.000 0.954 519 L CA -0.279 54.536 54.840 -0.043 0.000 0.844 519 L CB 1.892 43.867 42.059 -0.140 0.000 1.302 519 L HN 0.613 nan 8.230 nan 0.000 0.405 520 L N 3.999 125.309 121.223 0.145 0.000 2.322 520 L HA 0.491 4.829 4.340 -0.004 0.000 0.281 520 L C -0.343 176.706 176.870 0.298 0.000 1.014 520 L CA -0.218 54.743 54.840 0.202 0.000 0.815 520 L CB 1.388 43.591 42.059 0.240 0.000 1.247 520 L HN 0.604 nan 8.230 nan 0.000 0.421 521 D N 2.873 123.460 120.400 0.313 0.000 4.812 521 D HA -0.248 4.390 4.640 -0.004 0.000 0.206 521 D C 0.588 177.047 176.300 0.266 0.000 1.283 521 D CA 0.701 54.870 54.000 0.281 0.000 0.795 521 D CB 0.029 40.911 40.800 0.137 0.000 1.274 521 D HN 0.544 nan 8.370 nan 0.000 0.710 522 N N 2.800 121.647 118.700 0.246 0.000 3.127 522 N HA -0.077 4.661 4.740 -0.004 0.000 0.317 522 N C 0.145 175.711 175.510 0.094 0.000 1.242 522 N CA -0.348 52.805 53.050 0.172 0.000 1.203 522 N CB 0.077 38.657 38.487 0.156 0.000 1.462 522 N HN 0.320 nan 8.380 nan 0.000 0.546 523 Y N 0.270 120.519 120.300 -0.086 0.000 2.677 523 Y HA 0.177 4.725 4.550 -0.004 0.000 0.428 523 Y C 1.414 177.134 175.900 -0.301 0.000 1.390 523 Y CA -0.716 57.301 58.100 -0.138 0.000 1.815 523 Y CB -0.169 38.244 38.460 -0.078 0.000 1.738 523 Y HN 0.199 nan 8.280 nan 0.000 0.662 524 C N -0.077 118.747 119.300 -0.794 0.000 3.635 524 C HA 0.135 4.593 4.460 -0.004 0.000 0.137 524 C C -0.137 174.392 174.990 -0.769 0.000 2.670 524 C CA -0.125 58.411 59.018 -0.803 0.000 1.726 524 C CB -0.800 26.497 27.740 -0.739 0.000 2.207 524 C HN 0.632 nan 8.230 nan 0.000 0.230 525 H N 0.179 119.172 119.070 -0.128 0.000 2.429 525 H HA 0.341 4.895 4.556 -0.003 0.000 0.231 525 H C -2.651 172.695 175.328 0.031 0.000 1.416 525 H CA -1.333 54.695 56.048 -0.034 0.000 1.443 525 H CB -0.541 29.205 29.762 -0.026 0.000 1.591 525 H HN 0.399 nan 8.280 nan 0.000 0.507 526 P HA 0.169 nan 4.420 nan 0.000 0.269 526 P C 0.054 177.406 177.300 0.085 0.000 1.209 526 P CA 0.086 63.270 63.100 0.139 0.000 0.776 526 P CB 1.165 32.966 31.700 0.168 0.000 0.876 527 I N 1.202 121.772 120.570 0.000 0.000 2.468 527 I HA 0.364 4.532 4.170 -0.004 0.000 0.285 527 I C -0.023 175.975 176.117 -0.197 0.000 1.039 527 I CA -1.043 60.228 61.300 -0.050 0.000 1.074 527 I CB 2.061 40.026 38.000 -0.058 0.000 1.228 527 I HN 0.260 nan 8.210 nan 0.000 0.436 528 A N 8.140 130.874 122.820 -0.145 0.000 2.981 528 A HA 0.422 4.740 4.320 -0.004 0.000 0.280 528 A C 0.273 177.680 177.584 -0.295 0.000 1.743 528 A CA -0.224 51.628 52.037 -0.307 0.000 1.430 528 A CB -0.716 18.279 19.000 -0.009 0.000 1.085 528 A HN 0.692 nan 8.150 nan 0.000 0.597 529 L N 2.011 122.879 121.223 -0.592 0.000 2.525 529 L HA 0.100 4.438 4.340 -0.004 0.000 0.278 529 L C -1.873 174.772 176.870 -0.374 0.000 1.218 529 L CA -1.269 53.285 54.840 -0.476 0.000 0.878 529 L CB 0.037 41.836 42.059 -0.433 0.000 1.127 529 L HN 0.372 nan 8.230 nan 0.000 0.492 530 P HA 0.021 nan 4.420 nan 0.000 0.265 530 P C -0.433 176.932 177.300 0.107 0.000 1.193 530 P CA -0.200 62.858 63.100 -0.071 0.000 0.765 530 P CB 0.358 31.924 31.700 -0.224 0.000 0.823 547 M N 4.178 123.773 119.600 -0.009 0.000 2.346 547 M HA 0.334 4.812 4.480 -0.004 0.000 0.287 547 M C -2.809 173.453 176.300 -0.063 0.000 1.100 547 M CA -1.485 53.780 55.300 -0.058 0.000 0.950 547 M CB 2.055 34.510 32.600 -0.241 0.000 1.815 547 M HN 0.322 nan 8.290 nan 0.000 0.497 548 P HA 0.103 nan 4.420 nan 0.000 0.263 548 P C 0.508 177.773 177.300 -0.058 0.000 1.247 548 P CA 0.195 63.278 63.100 -0.029 0.000 0.876 548 P CB 0.128 31.828 31.700 0.001 0.000 0.928 549 N N 3.510 122.178 118.700 -0.054 0.000 2.165 549 N HA -0.346 4.392 4.740 -0.004 0.000 0.200 549 N C 1.503 176.980 175.510 -0.055 0.000 0.991 549 N CA 2.240 55.256 53.050 -0.057 0.000 0.904 549 N CB -0.040 38.424 38.487 -0.038 0.000 1.068 549 N HN 0.338 nan 8.380 nan 0.000 0.530 550 Q N 0.594 120.371 119.800 -0.039 0.000 2.096 550 Q HA -0.076 4.262 4.340 -0.004 0.000 0.204 550 Q C 2.194 178.172 176.000 -0.037 0.000 0.982 550 Q CA 1.311 57.096 55.803 -0.030 0.000 0.850 550 Q CB -0.749 27.978 28.738 -0.017 0.000 0.901 550 Q HN 0.498 nan 8.270 nan 0.000 0.422 551 L N 0.216 121.412 121.223 -0.045 0.000 2.046 551 L HA -0.120 4.218 4.340 -0.004 0.000 0.208 551 L C 2.401 179.215 176.870 -0.093 0.000 1.077 551 L CA 1.994 56.806 54.840 -0.048 0.000 0.747 551 L CB -0.624 41.410 42.059 -0.041 0.000 0.896 551 L HN 0.219 nan 8.230 nan 0.000 0.432 552 R N 0.028 120.446 120.500 -0.136 0.000 2.097 552 R HA -0.192 4.146 4.340 -0.004 0.000 0.236 552 R C 2.136 178.385 176.300 -0.085 0.000 1.135 552 R CA 1.712 57.723 56.100 -0.149 0.000 0.934 552 R CB -0.333 29.886 30.300 -0.135 0.000 0.846 552 R HN 0.164 nan 8.270 nan 0.000 0.431 553 K N 0.166 120.530 120.400 -0.060 0.000 2.286 553 K HA -0.220 4.097 4.320 -0.004 0.000 0.203 553 K C 1.983 178.567 176.600 -0.027 0.000 1.045 553 K CA 1.461 57.725 56.287 -0.038 0.000 0.935 553 K CB -0.128 32.354 32.500 -0.030 0.000 0.737 553 K HN 0.318 nan 8.250 nan 0.000 0.460 554 Q N 0.602 120.386 119.800 -0.027 0.000 2.165 554 Q HA 0.032 4.370 4.340 -0.004 0.000 0.197 554 Q C 1.976 177.974 176.000 -0.004 0.000 0.952 554 Q CA 0.532 56.330 55.803 -0.009 0.000 0.848 554 Q CB -0.163 28.575 28.738 0.001 0.000 0.931 554 Q HN 0.194 nan 8.270 nan 0.000 0.470 555 L N 0.862 122.074 121.223 -0.017 0.000 2.012 555 L HA -0.188 4.150 4.340 -0.004 0.000 0.210 555 L C 1.755 178.622 176.870 -0.006 0.000 1.073 555 L CA 2.009 56.845 54.840 -0.006 0.000 0.748 555 L CB -0.387 41.645 42.059 -0.045 0.000 0.891 555 L HN 0.266 nan 8.230 nan 0.000 0.431 556 E N -0.269 119.918 120.200 -0.021 0.000 2.085 556 E HA -0.262 4.086 4.350 -0.004 0.000 0.194 556 E C 2.135 178.733 176.600 -0.003 0.000 0.994 556 E CA 1.174 57.566 56.400 -0.013 0.000 0.801 556 E CB -0.452 29.235 29.700 -0.023 0.000 0.743 556 E HN 0.667 nan 8.360 nan 0.000 0.453 557 A N 0.799 123.617 122.820 -0.003 0.000 2.131 557 A HA -0.174 4.144 4.320 -0.004 0.000 0.220 557 A C 2.054 179.644 177.584 0.009 0.000 1.158 557 A CA 1.094 53.132 52.037 0.001 0.000 0.665 557 A CB -0.493 18.507 19.000 0.001 0.000 0.795 557 A HN 0.176 nan 8.150 nan 0.000 0.460 558 I N -1.032 119.547 120.570 0.015 0.000 2.556 558 I HA -0.074 4.094 4.170 -0.004 0.000 0.251 558 I C 1.976 178.110 176.117 0.029 0.000 1.105 558 I CA 0.680 61.995 61.300 0.025 0.000 1.436 558 I CB -0.259 37.761 38.000 0.033 0.000 1.139 558 I HN 0.201 nan 8.210 nan 0.000 0.438 559 I N 1.400 121.986 120.570 0.027 0.000 2.530 559 I HA -0.239 3.929 4.170 -0.004 0.000 0.257 559 I C 2.158 178.294 176.117 0.031 0.000 1.179 559 I CA 1.145 62.467 61.300 0.035 0.000 1.440 559 I CB -0.371 37.648 38.000 0.031 0.000 1.087 559 I HN 0.178 nan 8.210 nan 0.000 0.440 560 A N -0.177 122.654 122.820 0.018 0.000 2.379 560 A HA 0.187 4.505 4.320 -0.004 0.000 0.236 560 A C 0.856 178.446 177.584 0.011 0.000 1.272 560 A CA -0.045 51.998 52.037 0.010 0.000 0.886 560 A CB -0.379 18.621 19.000 -0.000 0.000 0.962 560 A HN 0.200 nan 8.150 nan 0.000 0.504 561 T N 2.780 117.345 114.554 0.019 0.000 2.869 561 T HA 0.265 4.613 4.350 -0.004 0.000 0.295 561 T C 0.158 174.870 174.700 0.021 0.000 0.987 561 T CA -0.384 61.727 62.100 0.018 0.000 1.109 561 T CB 0.628 69.510 68.868 0.024 0.000 0.932 561 T HN 0.616 nan 8.240 nan 0.000 0.518 562 D N 3.572 123.980 120.400 0.013 0.000 2.370 562 D HA -0.034 4.603 4.640 -0.004 0.000 0.235 562 D C -1.986 174.331 176.300 0.027 0.000 1.228 562 D CA -1.241 52.768 54.000 0.014 0.000 0.884 562 D CB 0.448 41.249 40.800 0.002 0.000 1.201 562 D HN 0.164 nan 8.370 nan 0.000 0.456 563 P HA -0.009 nan 4.420 nan 0.000 0.222 563 P C 1.512 178.837 177.300 0.042 0.000 1.147 563 P CA 0.756 63.884 63.100 0.047 0.000 0.790 563 P CB 0.153 31.883 31.700 0.050 0.000 0.780 564 L N -1.677 119.565 121.223 0.032 0.000 2.162 564 L HA 0.011 4.349 4.340 -0.004 0.000 0.205 564 L C 1.092 177.975 176.870 0.020 0.000 1.086 564 L CA 0.201 55.058 54.840 0.029 0.000 0.778 564 L CB -0.724 41.354 42.059 0.032 0.000 0.928 564 L HN -0.056 nan 8.230 nan 0.000 0.446 565 N N 1.631 120.343 118.700 0.019 0.000 2.438 565 N HA 0.053 4.791 4.740 -0.004 0.000 0.267 565 N C -2.086 173.434 175.510 0.017 0.000 1.222 565 N CA -1.011 52.048 53.050 0.016 0.000 0.930 565 N CB 0.564 39.060 38.487 0.015 0.000 1.083 565 N HN -0.022 nan 8.380 nan 0.000 0.476 566 P HA 0.124 nan 4.420 nan 0.000 0.277 566 P C -0.949 176.359 177.300 0.014 0.000 1.276 566 P CA -0.393 62.711 63.100 0.007 0.000 0.788 566 P CB 0.800 32.497 31.700 -0.005 0.000 1.114 567 L N -0.354 120.877 121.223 0.014 0.000 2.322 567 L HA 0.520 4.858 4.340 -0.004 0.000 0.269 567 L C 1.122 178.000 176.870 0.014 0.000 1.012 567 L CA -0.221 54.632 54.840 0.021 0.000 0.815 567 L CB 1.117 43.195 42.059 0.032 0.000 1.295 567 L HN 0.517 nan 8.230 nan 0.000 0.438 568 T N -2.264 112.300 114.554 0.017 0.000 2.922 568 T HA 0.688 5.036 4.350 -0.004 0.000 0.281 568 T C 1.108 175.816 174.700 0.013 0.000 1.005 568 T CA -0.135 61.972 62.100 0.012 0.000 0.982 568 T CB 1.180 70.055 68.868 0.012 0.000 1.158 568 T HN 0.577 nan 8.240 nan 0.000 0.566 569 A N 0.342 123.166 122.820 0.007 0.000 1.852 569 A HA -0.177 4.141 4.320 -0.004 0.000 0.217 569 A C 2.202 179.795 177.584 0.014 0.000 1.215 569 A CA 2.277 54.316 52.037 0.003 0.000 0.641 569 A CB -1.530 17.469 19.000 -0.002 0.000 0.838 569 A HN 1.046 nan 8.150 nan 0.000 0.450 570 E N -0.739 119.470 120.200 0.016 0.000 2.171 570 E HA -0.276 4.072 4.350 -0.004 0.000 0.197 570 E C 1.481 178.107 176.600 0.043 0.000 0.997 570 E CA 1.376 57.792 56.400 0.026 0.000 0.810 570 E CB -0.178 29.535 29.700 0.022 0.000 0.738 570 E HN 0.559 nan 8.360 nan 0.000 0.467 571 D N 0.443 120.866 120.400 0.039 0.000 2.103 571 D HA -0.174 4.464 4.640 -0.004 0.000 0.190 571 D C 1.852 178.192 176.300 0.068 0.000 0.997 571 D CA 1.407 55.437 54.000 0.050 0.000 0.833 571 D CB -0.054 40.769 40.800 0.039 0.000 0.961 571 D HN 0.204 nan 8.370 nan 0.000 0.447 572 K N 0.445 120.880 120.400 0.058 0.000 2.097 572 K HA -0.080 4.238 4.320 -0.004 0.000 0.205 572 K C 2.198 178.868 176.600 0.117 0.000 1.050 572 K CA 0.752 57.083 56.287 0.073 0.000 0.938 572 K CB -0.012 32.507 32.500 0.031 0.000 0.718 572 K HN 0.197 nan 8.250 nan 0.000 0.442 573 E N 1.067 121.319 120.200 0.088 0.000 2.051 573 E HA -0.184 4.164 4.350 -0.004 0.000 0.192 573 E C 2.062 178.758 176.600 0.159 0.000 0.991 573 E CA 0.948 57.417 56.400 0.115 0.000 0.799 573 E CB -0.049 29.682 29.700 0.053 0.000 0.748 573 E HN 0.204 nan 8.360 nan 0.000 0.449 574 L N 0.710 122.010 121.223 0.127 0.000 2.141 574 L HA -0.145 4.193 4.340 -0.004 0.000 0.209 574 L C 2.260 179.266 176.870 0.226 0.000 1.094 574 L CA 0.580 55.519 54.840 0.165 0.000 0.763 574 L CB 0.000 42.142 42.059 0.138 0.000 0.908 574 L HN 0.164 nan 8.230 nan 0.000 0.437 575 L N -0.561 120.768 121.223 0.177 0.000 2.072 575 L HA -0.208 4.129 4.340 -0.004 0.000 0.205 575 L C 2.149 179.109 176.870 0.149 0.000 1.079 575 L CA 1.815 56.746 54.840 0.152 0.000 0.752 575 L CB -1.045 41.079 42.059 0.110 0.000 0.906 575 L HN 0.523 nan 8.230 nan 0.000 0.436 576 W N -0.210 121.080 121.300 -0.017 0.000 2.352 576 W HA -0.326 4.332 4.660 -0.004 0.000 0.322 576 W C 2.502 178.972 176.519 -0.082 0.000 1.208 576 W CA 1.838 59.137 57.345 -0.076 0.000 1.286 576 W CB -0.737 28.672 29.460 -0.085 0.000 1.167 576 W HN 0.435 nan 8.180 nan 0.000 0.469 577 H N -0.033 118.862 119.070 -0.291 0.000 2.286 577 H HA -0.282 4.272 4.556 -0.003 0.000 0.284 577 H C 0.603 175.512 175.328 -0.698 0.000 1.116 577 H CA 2.739 58.440 56.048 -0.578 0.000 1.175 577 H CB -1.200 28.209 29.762 -0.589 0.000 1.347 577 H HN 0.055 nan 8.280 nan 0.000 0.475 578 F N 0.601 120.421 119.950 -0.217 0.000 2.640 578 F HA 0.211 4.736 4.527 -0.004 0.000 0.354 578 F C 1.457 177.089 175.800 -0.280 0.000 1.213 578 F CA -0.409 57.459 58.000 -0.220 0.000 1.314 578 F CB 0.234 39.190 39.000 -0.072 0.000 1.679 578 F HN 0.015 nan 8.300 nan 0.000 0.622 579 R N -0.144 120.142 120.500 -0.357 0.000 2.070 579 R HA -0.173 4.165 4.340 -0.004 0.000 0.233 579 R C 1.297 177.370 176.300 -0.378 0.000 1.137 579 R CA 1.701 57.498 56.100 -0.505 0.000 0.945 579 R CB -0.570 29.224 30.300 -0.843 0.000 0.845 579 R HN 0.427 nan 8.270 nan 0.000 0.430 580 Y N 0.181 120.353 120.300 -0.214 0.000 2.497 580 Y HA -0.079 4.469 4.550 -0.004 0.000 0.292 580 Y C 2.075 177.933 175.900 -0.070 0.000 1.137 580 Y CA 0.840 58.864 58.100 -0.128 0.000 1.285 580 Y CB -0.050 38.348 38.460 -0.103 0.000 0.991 580 Y HN 0.053 nan 8.280 nan 0.000 0.556 581 E N -0.560 119.695 120.200 0.092 0.000 2.250 581 E HA -0.025 4.323 4.350 -0.004 0.000 0.192 581 E C 1.991 178.591 176.600 0.001 0.000 0.986 581 E CA 0.768 57.196 56.400 0.046 0.000 0.849 581 E CB -0.030 29.684 29.700 0.022 0.000 0.797 581 E HN 0.122 nan 8.360 nan 0.000 0.482 582 S N -0.059 115.618 115.700 -0.039 0.000 2.527 582 S HA 0.032 4.500 4.470 -0.004 0.000 0.222 582 S C 1.355 175.896 174.600 -0.098 0.000 0.985 582 S CA 0.017 58.175 58.200 -0.070 0.000 0.921 582 S CB 0.048 63.175 63.200 -0.121 0.000 0.772 582 S HN 0.183 nan 8.310 nan 0.000 0.529 583 L N 1.360 122.511 121.223 -0.120 0.000 2.554 583 L HA 0.236 4.574 4.340 -0.004 0.000 0.226 583 L C 1.489 178.459 176.870 0.166 0.000 1.137 583 L CA 1.154 55.941 54.840 -0.089 0.000 0.863 583 L CB -0.158 41.798 42.059 -0.172 0.000 0.985 583 L HN 0.017 nan 8.230 nan 0.000 0.451 584 K N -1.013 119.460 120.400 0.121 0.000 2.361 584 K HA 0.043 4.361 4.320 -0.004 0.000 0.196 584 K C -0.136 176.551 176.600 0.145 0.000 1.039 584 K CA 0.309 56.673 56.287 0.128 0.000 1.001 584 K CB 0.204 32.746 32.500 0.071 0.000 0.795 584 K HN 0.168 nan 8.250 nan 0.000 0.495 585 D N 0.110 120.618 120.400 0.181 0.000 2.462 585 D HA 0.168 4.806 4.640 -0.004 0.000 0.245 585 D C -2.152 174.312 176.300 0.273 0.000 1.122 585 D CA -2.541 51.556 54.000 0.161 0.000 0.864 585 D CB 1.776 42.633 40.800 0.095 0.000 1.098 585 D HN -0.275 nan 8.370 nan 0.000 0.541 586 P HA -0.207 nan 4.420 nan 0.000 0.216 586 P C 0.603 178.047 177.300 0.240 0.000 1.157 586 P CA 1.411 64.588 63.100 0.128 0.000 0.880 586 P CB 0.190 31.850 31.700 -0.067 0.000 0.791 587 K N -1.036 119.455 120.400 0.153 0.000 2.589 587 K HA -0.023 4.295 4.320 -0.004 0.000 0.195 587 K C 1.549 178.250 176.600 0.169 0.000 1.040 587 K CA 0.880 57.247 56.287 0.134 0.000 0.950 587 K CB -0.338 32.201 32.500 0.065 0.000 0.781 587 K HN 0.167 nan 8.250 nan 0.000 0.486 588 A N -0.534 122.438 122.820 0.253 0.000 2.229 588 A HA 0.065 4.383 4.320 -0.004 0.000 0.211 588 A C 1.204 178.893 177.584 0.176 0.000 1.193 588 A CA -0.158 51.990 52.037 0.184 0.000 0.879 588 A CB -0.062 19.009 19.000 0.118 0.000 0.911 588 A HN 0.134 nan 8.150 nan 0.000 0.492 589 Y N 1.034 121.319 120.300 -0.025 0.000 2.102 589 Y HA -0.160 4.388 4.550 -0.004 0.000 0.280 589 Y C -0.338 175.603 175.900 0.069 0.000 1.178 589 Y CA 2.363 60.405 58.100 -0.097 0.000 1.146 589 Y CB -1.869 36.537 38.460 -0.090 0.000 0.968 589 Y HN 0.280 nan 8.280 nan 0.000 0.504 590 P HA -0.173 nan 4.420 nan 0.000 0.215 590 P C 1.619 179.148 177.300 0.381 0.000 1.157 590 P CA 1.929 65.199 63.100 0.284 0.000 0.868 590 P CB 0.058 31.881 31.700 0.205 0.000 0.788 591 K N -0.732 119.797 120.400 0.215 0.000 2.026 591 K HA -0.109 4.209 4.320 -0.004 0.000 0.208 591 K C 2.039 178.706 176.600 0.112 0.000 1.048 591 K CA 1.021 57.400 56.287 0.153 0.000 0.929 591 K CB -1.462 31.095 32.500 0.096 0.000 0.713 591 K HN 0.122 nan 8.250 nan 0.000 0.439 592 L N 0.585 121.799 121.223 -0.016 0.000 1.989 592 L HA -0.106 4.232 4.340 -0.004 0.000 0.211 592 L C 2.135 178.954 176.870 -0.086 0.000 1.071 592 L CA 1.687 56.423 54.840 -0.173 0.000 0.749 592 L CB -0.841 40.894 42.059 -0.540 0.000 0.890 592 L HN 0.050 nan 8.230 nan 0.000 0.431 593 F N -0.065 120.009 119.950 0.206 0.000 2.333 593 F HA -0.128 4.397 4.527 -0.003 0.000 0.300 593 F C 2.405 178.518 175.800 0.521 0.000 1.083 593 F CA 0.867 59.098 58.000 0.386 0.000 1.395 593 F CB -0.572 38.716 39.000 0.480 0.000 1.056 593 F HN 0.339 nan 8.300 nan 0.000 0.529 594 S N -2.223 113.797 115.700 0.534 0.000 2.593 594 S HA 0.042 4.509 4.470 -0.004 0.000 0.217 594 S C 1.172 175.882 174.600 0.183 0.000 0.966 594 S CA 0.208 58.587 58.200 0.298 0.000 0.914 594 S CB -0.130 63.145 63.200 0.126 0.000 0.776 594 S HN 0.103 nan 8.310 nan 0.000 0.523 595 S N 1.006 116.798 115.700 0.154 0.000 2.568 595 S HA 0.341 4.809 4.470 -0.004 0.000 0.232 595 S C 0.090 174.640 174.600 -0.084 0.000 0.975 595 S CA -0.399 57.836 58.200 0.059 0.000 0.949 595 S CB 0.412 63.675 63.200 0.104 0.000 0.829 595 S HN 0.352 nan 8.310 nan 0.000 0.479 596 V N 2.586 122.404 119.914 -0.161 0.000 2.439 596 V HA 0.262 4.380 4.120 -0.004 0.000 0.282 596 V C 0.087 175.791 176.094 -0.650 0.000 1.039 596 V CA -0.637 61.286 62.300 -0.627 0.000 0.913 596 V CB 1.427 32.658 31.823 -0.986 0.000 0.983 596 V HN 0.197 nan 8.190 nan 0.000 0.460 597 K N 4.747 124.732 120.400 -0.691 0.000 2.150 597 K HA 0.130 4.448 4.320 -0.004 0.000 0.261 597 K C 0.101 176.451 176.600 -0.417 0.000 1.127 597 K CA 0.058 56.091 56.287 -0.424 0.000 0.989 597 K CB 0.212 32.477 32.500 -0.391 0.000 1.475 597 K HN 0.687 nan 8.250 nan 0.000 0.391 598 W N 0.866 122.044 121.300 -0.204 0.000 2.525 598 W HA -0.048 4.610 4.660 -0.003 0.000 0.259 598 W C 1.922 178.232 176.519 -0.348 0.000 1.253 598 W CA 0.369 57.551 57.345 -0.272 0.000 1.262 598 W CB 0.027 29.277 29.460 -0.350 0.000 1.122 598 W HN 0.629 nan 8.180 nan 0.000 0.607 599 G N -0.199 108.539 108.800 -0.102 0.000 2.776 599 G HA2 -0.050 3.908 3.960 -0.004 0.000 0.209 599 G HA3 -0.050 3.908 3.960 -0.004 0.000 0.209 599 G C 0.373 175.192 174.900 -0.135 0.000 1.145 599 G CA -0.082 44.939 45.100 -0.133 0.000 0.791 599 G HN 0.209 nan 8.290 nan 0.000 0.530 600 Q N -0.494 119.204 119.800 -0.169 0.000 2.320 600 Q HA 0.232 4.570 4.340 -0.004 0.000 0.268 600 Q C 0.883 176.766 176.000 -0.195 0.000 1.023 600 Q CA -0.587 55.112 55.803 -0.172 0.000 0.744 600 Q CB 1.818 30.438 28.738 -0.197 0.000 1.246 600 Q HN 0.244 nan 8.270 nan 0.000 0.462 601 Q N 2.208 121.900 119.800 -0.181 0.000 2.173 601 Q HA -0.296 4.042 4.340 -0.004 0.000 0.208 601 Q C 0.545 176.361 176.000 -0.307 0.000 0.989 601 Q CA 2.503 58.154 55.803 -0.255 0.000 0.872 601 Q CB 0.225 28.779 28.738 -0.306 0.000 0.909 601 Q HN 0.620 nan 8.270 nan 0.000 0.420 602 E N 0.704 120.756 120.200 -0.247 0.000 2.023 602 E HA -0.135 4.213 4.350 -0.004 0.000 0.196 602 E C 2.047 178.541 176.600 -0.176 0.000 1.003 602 E CA 1.825 58.102 56.400 -0.206 0.000 0.809 602 E CB -0.420 29.192 29.700 -0.146 0.000 0.755 602 E HN 0.507 nan 8.360 nan 0.000 0.449 603 I N 0.334 120.779 120.570 -0.207 0.000 2.208 603 I HA -0.266 3.902 4.170 -0.004 0.000 0.245 603 I C 2.138 178.119 176.117 -0.226 0.000 1.097 603 I CA 0.742 61.893 61.300 -0.248 0.000 1.363 603 I CB -0.282 37.411 38.000 -0.512 0.000 1.051 603 I HN 0.003 nan 8.210 nan 0.000 0.413 604 V N 1.103 120.859 119.914 -0.264 0.000 2.287 604 V HA -0.330 3.788 4.120 -0.004 0.000 0.248 604 V C 2.763 178.747 176.094 -0.183 0.000 1.053 604 V CA 2.095 64.264 62.300 -0.218 0.000 1.027 604 V CB -1.051 30.673 31.823 -0.164 0.000 0.646 604 V HN 0.521 nan 8.190 nan 0.000 0.447 605 A N -0.483 122.196 122.820 -0.236 0.000 1.940 605 A HA -0.275 4.043 4.320 -0.004 0.000 0.219 605 A C 2.293 179.867 177.584 -0.018 0.000 1.176 605 A CA 2.159 54.077 52.037 -0.199 0.000 0.631 605 A CB -0.439 18.404 19.000 -0.261 0.000 0.814 605 A HN 0.578 nan 8.150 nan 0.000 0.446 606 K N -0.962 119.454 120.400 0.027 0.000 2.062 606 K HA -0.071 4.247 4.320 -0.004 0.000 0.205 606 K C 2.110 178.805 176.600 0.157 0.000 1.051 606 K CA 1.618 57.971 56.287 0.110 0.000 0.941 606 K CB -0.400 32.212 32.500 0.186 0.000 0.719 606 K HN 0.525 nan 8.250 nan 0.000 0.440 607 T N 0.693 115.379 114.554 0.220 0.000 2.699 607 T HA -0.205 4.143 4.350 -0.004 0.000 0.268 607 T C 1.729 176.623 174.700 0.323 0.000 1.036 607 T CA 1.448 63.707 62.100 0.265 0.000 1.147 607 T CB -0.528 68.471 68.868 0.217 0.000 0.862 607 T HN 0.295 nan 8.240 nan 0.000 0.446 608 Y N 1.633 121.986 120.300 0.088 0.000 2.293 608 Y HA -0.132 4.416 4.550 -0.004 0.000 0.291 608 Y C 2.978 178.919 175.900 0.068 0.000 1.137 608 Y CA 0.508 58.665 58.100 0.095 0.000 1.202 608 Y CB -0.263 38.263 38.460 0.110 0.000 0.990 608 Y HN 0.289 nan 8.280 nan 0.000 0.537 609 Q N 0.108 120.036 119.800 0.214 0.000 2.170 609 Q HA -0.208 4.130 4.340 -0.004 0.000 0.203 609 Q C 2.261 178.313 176.000 0.088 0.000 0.976 609 Q CA 1.249 57.136 55.803 0.140 0.000 0.858 609 Q CB -0.168 28.644 28.738 0.123 0.000 0.907 609 Q HN 0.564 nan 8.270 nan 0.000 0.433 610 L N 0.314 121.537 121.223 -0.000 0.000 2.017 610 L HA -0.191 4.147 4.340 -0.004 0.000 0.208 610 L C 2.091 178.930 176.870 -0.052 0.000 1.073 610 L CA 0.999 55.732 54.840 -0.179 0.000 0.745 610 L CB -0.200 41.676 42.059 -0.304 0.000 0.894 610 L HN 0.284 nan 8.230 nan 0.000 0.432 611 L N -0.651 120.581 121.223 0.015 0.000 2.549 611 L HA -0.159 4.179 4.340 -0.004 0.000 0.230 611 L C 2.583 179.480 176.870 0.045 0.000 1.162 611 L CA 0.408 55.261 54.840 0.022 0.000 0.834 611 L CB -0.587 41.437 42.059 -0.058 0.000 0.947 611 L HN 0.268 nan 8.230 nan 0.000 0.452 612 A N 0.153 123.012 122.820 0.066 0.000 1.902 612 A HA -0.144 4.174 4.320 -0.004 0.000 0.217 612 A C 1.312 178.950 177.584 0.090 0.000 1.181 612 A CA 1.181 53.268 52.037 0.083 0.000 0.623 612 A CB -0.110 18.950 19.000 0.099 0.000 0.818 612 A HN 0.282 nan 8.150 nan 0.000 0.443 613 K N 0.417 120.878 120.400 0.103 0.000 2.356 613 K HA 0.322 4.640 4.320 -0.004 0.000 0.243 613 K C -0.151 176.530 176.600 0.134 0.000 1.072 613 K CA -0.157 56.200 56.287 0.116 0.000 1.014 613 K CB 0.763 33.344 32.500 0.134 0.000 1.523 613 K HN 0.289 nan 8.250 nan 0.000 0.455 614 R N 1.413 122.004 120.500 0.151 0.000 2.426 614 R HA 0.032 4.370 4.340 -0.004 0.000 0.263 614 R C 0.588 177.026 176.300 0.229 0.000 0.961 614 R CA -0.026 56.210 56.100 0.227 0.000 1.086 614 R CB 0.173 30.616 30.300 0.239 0.000 1.186 614 R HN 0.545 nan 8.270 nan 0.000 0.537 615 E N 0.874 121.169 120.200 0.159 0.000 2.065 615 E HA -0.234 4.113 4.350 -0.004 0.000 0.201 615 E C 1.952 178.626 176.600 0.124 0.000 1.016 615 E CA 2.149 58.620 56.400 0.118 0.000 0.818 615 E CB -0.166 29.588 29.700 0.090 0.000 0.749 615 E HN 0.226 nan 8.360 nan 0.000 0.453 616 V N -0.355 119.656 119.914 0.162 0.000 2.469 616 V HA -0.226 3.891 4.120 -0.004 0.000 0.251 616 V C 1.998 178.192 176.094 0.166 0.000 1.064 616 V CA 1.827 64.223 62.300 0.160 0.000 1.066 616 V CB -1.013 30.936 31.823 0.211 0.000 0.667 616 V HN 0.434 nan 8.190 nan 0.000 0.461 617 W N 1.523 122.847 121.300 0.041 0.000 2.539 617 W HA -0.030 4.627 4.660 -0.004 0.000 0.299 617 W C 2.044 178.525 176.519 -0.063 0.000 1.165 617 W CA 1.247 58.547 57.345 -0.074 0.000 1.400 617 W CB 0.010 29.448 29.460 -0.037 0.000 1.123 617 W HN 0.316 nan 8.180 nan 0.000 0.533 618 D N 0.518 120.976 120.400 0.096 0.000 2.221 618 D HA -0.217 4.421 4.640 -0.004 0.000 0.204 618 D C 1.839 178.074 176.300 -0.110 0.000 0.982 618 D CA 1.473 55.462 54.000 -0.018 0.000 0.857 618 D CB -0.429 40.420 40.800 0.081 0.000 0.934 618 D HN 0.446 nan 8.370 nan 0.000 0.475 619 Q N 0.353 120.101 119.800 -0.086 0.000 2.392 619 Q HA 0.043 4.381 4.340 -0.004 0.000 0.203 619 Q C 0.689 176.598 176.000 -0.151 0.000 0.917 619 Q CA -0.134 55.615 55.803 -0.090 0.000 0.939 619 Q CB 0.496 29.212 28.738 -0.036 0.000 1.063 619 Q HN 0.168 nan 8.270 nan 0.000 0.516 620 S N 0.172 115.719 115.700 -0.254 0.000 2.593 620 S HA 0.466 4.934 4.470 -0.004 0.000 0.269 620 S C 0.117 174.523 174.600 -0.322 0.000 1.334 620 S CA -0.687 57.329 58.200 -0.307 0.000 1.015 620 S CB 1.322 64.244 63.200 -0.463 0.000 0.912 620 S HN 0.205 nan 8.310 nan 0.000 0.541 621 A N 2.234 124.901 122.820 -0.256 0.000 2.362 621 A HA 0.493 4.811 4.320 -0.004 0.000 0.276 621 A C 0.117 177.544 177.584 -0.262 0.000 1.153 621 A CA -0.721 51.189 52.037 -0.211 0.000 0.813 621 A CB -0.202 18.713 19.000 -0.142 0.000 1.081 621 A HN 1.098 nan 8.150 nan 0.000 0.507 622 L N 2.167 123.246 121.223 -0.240 0.000 2.653 622 L HA 0.028 4.366 4.340 -0.004 0.000 0.288 622 L C -0.255 176.500 176.870 -0.191 0.000 1.243 622 L CA 1.108 55.805 54.840 -0.237 0.000 0.906 622 L CB 0.127 42.092 42.059 -0.156 0.000 1.154 622 L HN 0.669 nan 8.230 nan 0.000 0.498 623 D N 3.829 124.105 120.400 -0.206 0.000 2.421 623 D HA 0.161 4.799 4.640 -0.004 0.000 0.254 623 D C 0.860 177.073 176.300 -0.144 0.000 1.238 623 D CA -0.376 53.537 54.000 -0.145 0.000 0.919 623 D CB 1.392 42.112 40.800 -0.134 0.000 1.152 623 D HN 0.382 nan 8.370 nan 0.000 0.552 624 V N 3.440 123.244 119.914 -0.184 0.000 2.380 624 V HA -0.170 3.948 4.120 -0.004 0.000 0.251 624 V C 2.494 178.451 176.094 -0.228 0.000 1.063 624 V CA 2.359 64.475 62.300 -0.305 0.000 1.055 624 V CB -0.632 30.814 31.823 -0.628 0.000 0.657 624 V HN 0.651 nan 8.190 nan 0.000 0.455 625 G N -0.424 108.294 108.800 -0.137 0.000 2.545 625 G HA2 -0.277 3.681 3.960 -0.004 0.000 0.217 625 G HA3 -0.277 3.681 3.960 -0.004 0.000 0.217 625 G C 1.630 176.507 174.900 -0.038 0.000 1.218 625 G CA 1.228 46.291 45.100 -0.063 0.000 0.787 625 G HN 0.433 nan 8.290 nan 0.000 0.571 626 L N 0.295 121.507 121.223 -0.018 0.000 1.970 626 L HA -0.148 4.190 4.340 -0.004 0.000 0.212 626 L C 3.205 180.099 176.870 0.041 0.000 1.071 626 L CA 2.242 57.104 54.840 0.037 0.000 0.751 626 L CB -0.704 41.400 42.059 0.074 0.000 0.889 626 L HN 0.282 nan 8.230 nan 0.000 0.432 627 T N 0.036 114.604 114.554 0.023 0.000 2.653 627 T HA -0.291 4.057 4.350 -0.004 0.000 0.268 627 T C 1.938 176.607 174.700 -0.051 0.000 1.035 627 T CA 1.893 64.001 62.100 0.013 0.000 1.154 627 T CB -0.219 68.618 68.868 -0.051 0.000 0.862 627 T HN 0.245 nan 8.240 nan 0.000 0.441 628 M N 1.197 120.755 119.600 -0.070 0.000 2.106 628 M HA -0.147 4.331 4.480 -0.004 0.000 0.259 628 M C 2.382 178.660 176.300 -0.038 0.000 1.068 628 M CA 1.616 56.885 55.300 -0.052 0.000 1.100 628 M CB -1.222 31.347 32.600 -0.051 0.000 1.351 628 M HN 0.395 nan 8.290 nan 0.000 0.404 629 Q N -0.049 119.733 119.800 -0.029 0.000 2.308 629 Q HA -0.119 4.219 4.340 -0.004 0.000 0.209 629 Q C 1.927 177.867 176.000 -0.101 0.000 0.985 629 Q CA 0.936 56.734 55.803 -0.007 0.000 0.881 629 Q CB -0.211 28.544 28.738 0.030 0.000 0.917 629 Q HN 0.551 nan 8.270 nan 0.000 0.443 630 L N -0.377 120.692 121.223 -0.258 0.000 2.509 630 L HA 0.020 4.358 4.340 -0.004 0.000 0.222 630 L C 1.426 178.131 176.870 -0.275 0.000 1.123 630 L CA 0.227 54.718 54.840 -0.581 0.000 0.856 630 L CB 0.139 41.889 42.059 -0.514 0.000 0.985 630 L HN 0.207 nan 8.230 nan 0.000 0.456 631 L N -0.214 120.947 121.223 -0.103 0.000 2.667 631 L HA 0.094 4.432 4.340 -0.004 0.000 0.232 631 L C 0.597 177.474 176.870 0.012 0.000 1.138 631 L CA -0.449 54.385 54.840 -0.011 0.000 0.921 631 L CB -0.324 41.747 42.059 0.021 0.000 1.180 631 L HN 0.266 nan 8.230 nan 0.000 0.487 632 D N -0.951 119.379 120.400 -0.116 0.000 2.440 632 D HA -0.030 4.608 4.640 -0.004 0.000 0.269 632 D C 1.536 177.333 176.300 -0.838 0.000 1.249 632 D CA -0.229 53.388 54.000 -0.638 0.000 1.055 632 D CB 0.311 40.838 40.800 -0.455 0.000 1.104 632 D HN 0.141 nan 8.370 nan 0.000 0.561 633 C N -1.513 117.001 119.300 -1.311 0.000 2.419 633 C HA 0.020 4.478 4.460 -0.004 0.000 0.283 633 C C 1.721 176.443 174.990 -0.447 0.000 1.373 633 C CA 0.280 58.856 59.018 -0.736 0.000 1.781 633 C CB -1.892 25.525 27.740 -0.538 0.000 1.886 633 C HN 0.557 nan 8.230 nan 0.000 0.520 634 N N -0.381 118.044 118.700 -0.458 0.000 2.494 634 N HA 0.126 4.864 4.740 -0.004 0.000 0.182 634 N C -0.563 174.386 175.510 -0.935 0.000 1.076 634 N CA 0.635 53.302 53.050 -0.639 0.000 0.908 634 N CB -0.038 38.030 38.487 -0.699 0.000 0.967 634 N HN 0.541 nan 8.380 nan 0.000 0.449 635 F N -0.637 119.129 119.950 -0.307 0.000 2.460 635 F HA 0.368 4.893 4.527 -0.004 0.000 0.341 635 F C 0.555 176.084 175.800 -0.451 0.000 1.130 635 F CA -0.824 56.962 58.000 -0.357 0.000 0.962 635 F CB 1.943 40.793 39.000 -0.251 0.000 1.171 635 F HN -0.199 nan 8.300 nan 0.000 0.436 636 S N 0.044 115.387 115.700 -0.596 0.000 2.539 636 S HA -0.017 4.451 4.470 -0.004 0.000 0.221 636 S C 0.017 174.316 174.600 -0.502 0.000 0.987 636 S CA -0.274 57.532 58.200 -0.656 0.000 0.929 636 S CB -0.102 62.437 63.200 -1.102 0.000 0.832 636 S HN 0.637 nan 8.310 nan 0.000 0.492 637 D N 1.884 122.005 120.400 -0.466 0.000 2.312 637 D HA 0.103 4.741 4.640 -0.004 0.000 0.252 637 D C 0.928 177.184 176.300 -0.074 0.000 1.150 637 D CA 0.073 53.948 54.000 -0.209 0.000 0.870 637 D CB 1.168 41.733 40.800 -0.392 0.000 1.153 637 D HN 0.135 nan 8.370 nan 0.000 0.457 638 E N 3.156 123.388 120.200 0.054 0.000 2.026 638 E HA -0.303 4.045 4.350 -0.004 0.000 0.206 638 E C 1.355 177.944 176.600 -0.019 0.000 1.028 638 E CA 1.935 58.368 56.400 0.056 0.000 0.845 638 E CB 0.121 29.900 29.700 0.131 0.000 0.772 638 E HN 0.496 nan 8.360 nan 0.000 0.462 639 N N -0.460 118.212 118.700 -0.047 0.000 2.061 639 N HA -0.189 4.549 4.740 -0.004 0.000 0.193 639 N C 1.747 177.102 175.510 -0.258 0.000 1.030 639 N CA 1.535 54.469 53.050 -0.194 0.000 0.856 639 N CB -0.386 37.823 38.487 -0.463 0.000 1.023 639 N HN 0.008 nan 8.380 nan 0.000 0.424 640 V N 1.063 120.793 119.914 -0.307 0.000 2.231 640 V HA -0.311 3.807 4.120 -0.004 0.000 0.250 640 V C 2.206 178.074 176.094 -0.377 0.000 1.058 640 V CA 1.888 63.896 62.300 -0.487 0.000 1.022 640 V CB -0.467 31.079 31.823 -0.462 0.000 0.640 640 V HN 0.336 nan 8.190 nan 0.000 0.445 641 R N 0.001 120.351 120.500 -0.249 0.000 2.105 641 R HA -0.143 4.195 4.340 -0.004 0.000 0.239 641 R C 2.386 178.605 176.300 -0.136 0.000 1.135 641 R CA 1.434 57.427 56.100 -0.180 0.000 0.967 641 R CB -0.683 29.558 30.300 -0.098 0.000 0.861 641 R HN 0.565 nan 8.270 nan 0.000 0.442 642 A N 1.793 124.547 122.820 -0.111 0.000 1.978 642 A HA -0.169 4.149 4.320 -0.004 0.000 0.220 642 A C 2.207 179.753 177.584 -0.064 0.000 1.170 642 A CA 1.629 53.626 52.037 -0.066 0.000 0.636 642 A CB -0.701 18.274 19.000 -0.042 0.000 0.810 642 A HN 0.516 nan 8.150 nan 0.000 0.448 643 I N -3.193 117.309 120.570 -0.114 0.000 2.439 643 I HA 0.048 4.216 4.170 -0.004 0.000 0.251 643 I C 2.312 178.478 176.117 0.082 0.000 1.139 643 I CA 1.249 62.528 61.300 -0.035 0.000 1.438 643 I CB -0.398 37.464 38.000 -0.230 0.000 1.085 643 I HN 0.148 nan 8.210 nan 0.000 0.427 644 A N 1.709 124.508 122.820 -0.035 0.000 1.855 644 A HA -0.064 4.254 4.320 -0.004 0.000 0.215 644 A C 2.383 179.933 177.584 -0.057 0.000 1.191 644 A CA 2.074 54.120 52.037 0.014 0.000 0.613 644 A CB -1.177 17.772 19.000 -0.085 0.000 0.829 644 A HN 0.324 nan 8.150 nan 0.000 0.442 645 V N 0.577 120.422 119.914 -0.115 0.000 2.392 645 V HA -0.303 3.815 4.120 -0.004 0.000 0.249 645 V C 2.731 178.688 176.094 -0.227 0.000 1.059 645 V CA 2.185 64.347 62.300 -0.229 0.000 1.051 645 V CB -0.869 30.866 31.823 -0.147 0.000 0.658 645 V HN 0.692 nan 8.190 nan 0.000 0.455 646 Q N 0.120 119.879 119.800 -0.069 0.000 2.170 646 Q HA -0.214 4.124 4.340 -0.004 0.000 0.203 646 Q C 2.096 178.084 176.000 -0.020 0.000 0.976 646 Q CA 1.330 57.128 55.803 -0.008 0.000 0.858 646 Q CB -0.008 28.769 28.738 0.064 0.000 0.907 646 Q HN 0.490 nan 8.270 nan 0.000 0.433 647 K N 0.267 120.655 120.400 -0.021 0.000 2.305 647 K HA 0.065 4.383 4.320 -0.004 0.000 0.199 647 K C 2.201 178.730 176.600 -0.119 0.000 1.047 647 K CA 0.186 56.428 56.287 -0.076 0.000 0.976 647 K CB -0.115 32.322 32.500 -0.106 0.000 0.765 647 K HN 0.264 nan 8.250 nan 0.000 0.474 648 L N 1.375 122.468 121.223 -0.216 0.000 2.046 648 L HA -0.159 4.179 4.340 -0.004 0.000 0.208 648 L C 2.011 178.824 176.870 -0.094 0.000 1.077 648 L CA 1.071 55.738 54.840 -0.289 0.000 0.747 648 L CB -0.449 41.169 42.059 -0.736 0.000 0.896 648 L HN 0.141 nan 8.230 nan 0.000 0.432 649 E N -0.344 119.817 120.200 -0.064 0.000 2.253 649 E HA -0.288 4.060 4.350 -0.004 0.000 0.202 649 E C 2.211 178.926 176.600 0.192 0.000 1.014 649 E CA 1.632 58.200 56.400 0.280 0.000 0.823 649 E CB -0.388 29.421 29.700 0.182 0.000 0.736 649 E HN 0.376 nan 8.360 nan 0.000 0.478 650 S N -0.189 115.561 115.700 0.083 0.000 2.515 650 S HA -0.022 4.446 4.470 -0.004 0.000 0.231 650 S C 0.973 175.621 174.600 0.079 0.000 0.987 650 S CA -0.125 58.107 58.200 0.054 0.000 0.936 650 S CB -0.094 63.099 63.200 -0.012 0.000 0.766 650 S HN 0.084 nan 8.310 nan 0.000 0.528 651 L N 2.902 124.203 121.223 0.130 0.000 2.426 651 L HA 0.244 4.582 4.340 -0.004 0.000 0.271 651 L C 0.575 177.539 176.870 0.157 0.000 1.169 651 L CA -0.415 54.517 54.840 0.153 0.000 0.836 651 L CB 0.513 42.702 42.059 0.218 0.000 1.112 651 L HN 0.423 nan 8.230 nan 0.000 0.465 652 E N 1.330 121.611 120.200 0.135 0.000 2.318 652 E HA 0.095 4.443 4.350 -0.004 0.000 0.265 652 E C -0.304 176.383 176.600 0.145 0.000 1.069 652 E CA -0.872 55.602 56.400 0.123 0.000 0.893 652 E CB 0.989 30.750 29.700 0.102 0.000 1.076 652 E HN 0.458 nan 8.360 nan 0.000 0.414 653 D N 1.530 122.005 120.400 0.124 0.000 2.191 653 D HA -0.246 4.392 4.640 -0.004 0.000 0.195 653 D C 1.281 177.668 176.300 0.145 0.000 1.003 653 D CA 1.920 55.988 54.000 0.114 0.000 0.867 653 D CB -0.256 40.597 40.800 0.090 0.000 0.926 653 D HN 0.689 nan 8.370 nan 0.000 0.450 654 D N 0.036 120.562 120.400 0.210 0.000 2.123 654 D HA -0.136 4.502 4.640 -0.004 0.000 0.196 654 D C 1.488 177.981 176.300 0.323 0.000 0.992 654 D CA 1.156 55.341 54.000 0.309 0.000 0.833 654 D CB 0.191 41.196 40.800 0.342 0.000 0.954 654 D HN 0.058 nan 8.370 nan 0.000 0.455 655 D N -0.484 120.086 120.400 0.283 0.000 2.123 655 D HA -0.096 4.542 4.640 -0.004 0.000 0.200 655 D C 2.325 178.824 176.300 0.332 0.000 0.976 655 D CA 0.520 54.717 54.000 0.328 0.000 0.831 655 D CB -0.247 40.727 40.800 0.290 0.000 0.974 655 D HN 0.142 nan 8.370 nan 0.000 0.469 656 V N 1.561 121.638 119.914 0.271 0.000 2.453 656 V HA -0.237 3.880 4.120 -0.004 0.000 0.252 656 V C 2.606 178.807 176.094 0.178 0.000 1.068 656 V CA 1.187 63.640 62.300 0.255 0.000 1.070 656 V CB -0.455 31.478 31.823 0.184 0.000 0.664 656 V HN 0.204 nan 8.190 nan 0.000 0.461 657 L N -1.283 119.996 121.223 0.094 0.000 2.156 657 L HA -0.133 4.204 4.340 -0.004 0.000 0.208 657 L C 2.455 179.236 176.870 -0.148 0.000 1.095 657 L CA 1.376 56.188 54.840 -0.046 0.000 0.770 657 L CB -0.544 41.425 42.059 -0.150 0.000 0.914 657 L HN 0.393 nan 8.230 nan 0.000 0.439 658 H N -1.931 117.061 119.070 -0.130 0.000 2.395 658 H HA -0.120 4.434 4.556 -0.003 0.000 0.299 658 H C 1.313 176.355 175.328 -0.476 0.000 1.070 658 H CA 1.776 57.605 56.048 -0.364 0.000 1.356 658 H CB 0.084 29.496 29.762 -0.583 0.000 1.401 658 H HN 0.286 nan 8.280 nan 0.000 0.524 659 Y N -1.073 119.305 120.300 0.130 0.000 2.462 659 Y HA 0.022 4.570 4.550 -0.004 0.000 0.261 659 Y C 1.833 177.775 175.900 0.069 0.000 1.146 659 Y CA -0.423 57.722 58.100 0.076 0.000 1.283 659 Y CB 0.287 38.796 38.460 0.082 0.000 1.090 659 Y HN 0.104 nan 8.280 nan 0.000 0.526 660 L N 0.276 121.611 121.223 0.188 0.000 2.034 660 L HA -0.284 4.054 4.340 -0.004 0.000 0.217 660 L C 2.174 179.140 176.870 0.159 0.000 1.077 660 L CA 1.689 56.666 54.840 0.227 0.000 0.769 660 L CB -0.957 41.287 42.059 0.308 0.000 0.890 660 L HN 0.295 nan 8.230 nan 0.000 0.435 661 L N -0.531 120.662 121.223 -0.050 0.000 1.970 661 L HA -0.249 4.089 4.340 -0.004 0.000 0.212 661 L C 2.628 179.397 176.870 -0.169 0.000 1.071 661 L CA 1.942 56.539 54.840 -0.403 0.000 0.751 661 L CB -1.005 40.670 42.059 -0.639 0.000 0.889 661 L HN 0.458 nan 8.230 nan 0.000 0.432 662 Q N -0.574 119.191 119.800 -0.058 0.000 2.124 662 Q HA -0.192 4.145 4.340 -0.004 0.000 0.202 662 Q C 2.326 178.358 176.000 0.052 0.000 0.977 662 Q CA 1.797 57.604 55.803 0.007 0.000 0.850 662 Q CB -0.524 28.261 28.738 0.078 0.000 0.901 662 Q HN 0.538 nan 8.270 nan 0.000 0.429 663 L N 0.020 121.306 121.223 0.104 0.000 2.056 663 L HA -0.142 4.196 4.340 -0.004 0.000 0.207 663 L C 2.504 179.437 176.870 0.106 0.000 1.078 663 L CA 0.662 55.579 54.840 0.128 0.000 0.749 663 L CB -0.659 41.519 42.059 0.198 0.000 0.901 663 L HN -0.018 nan 8.230 nan 0.000 0.433 664 V N -0.580 119.381 119.914 0.078 0.000 2.343 664 V HA -0.265 3.853 4.120 -0.004 0.000 0.247 664 V C 2.566 178.662 176.094 0.004 0.000 1.051 664 V CA 1.522 63.843 62.300 0.037 0.000 1.036 664 V CB -0.531 31.279 31.823 -0.020 0.000 0.654 664 V HN 0.488 nan 8.190 nan 0.000 0.451 665 Q N -0.241 119.520 119.800 -0.065 0.000 2.230 665 Q HA -0.012 4.326 4.340 -0.004 0.000 0.202 665 Q C 2.369 178.248 176.000 -0.202 0.000 0.963 665 Q CA 1.515 57.239 55.803 -0.132 0.000 0.866 665 Q CB -0.525 28.116 28.738 -0.161 0.000 0.931 665 Q HN 0.660 nan 8.270 nan 0.000 0.452 666 A N 0.424 123.210 122.820 -0.057 0.000 2.121 666 A HA -0.062 4.256 4.320 -0.004 0.000 0.218 666 A C 2.283 179.847 177.584 -0.033 0.000 1.154 666 A CA 0.739 52.790 52.037 0.022 0.000 0.679 666 A CB -0.370 18.728 19.000 0.164 0.000 0.795 666 A HN 0.185 nan 8.150 nan 0.000 0.458 667 V N 0.187 120.096 119.914 -0.009 0.000 2.720 667 V HA -0.256 3.861 4.120 -0.004 0.000 0.256 667 V C 2.177 178.145 176.094 -0.211 0.000 1.082 667 V CA 2.144 64.445 62.300 0.002 0.000 1.101 667 V CB -0.668 31.264 31.823 0.182 0.000 0.693 667 V HN 0.575 nan 8.190 nan 0.000 0.479 668 K N -0.514 119.579 120.400 -0.512 0.000 2.362 668 K HA -0.041 4.277 4.320 -0.004 0.000 0.200 668 K C 1.505 177.786 176.600 -0.531 0.000 1.046 668 K CA 1.225 56.953 56.287 -0.931 0.000 0.952 668 K CB -0.162 31.502 32.500 -1.392 0.000 0.753 668 K HN 0.520 nan 8.250 nan 0.000 0.466 669 F N 1.101 120.955 119.950 -0.159 0.000 2.727 669 F HA 0.106 4.631 4.527 -0.003 0.000 0.302 669 F C 0.662 176.398 175.800 -0.106 0.000 1.097 669 F CA -0.520 57.411 58.000 -0.116 0.000 1.330 669 F CB 0.381 39.322 39.000 -0.098 0.000 1.084 669 F HN -0.181 nan 8.300 nan 0.000 0.578 670 E N 2.757 122.992 120.200 0.057 0.000 2.338 670 E HA 0.049 4.397 4.350 -0.004 0.000 0.272 670 E C -1.494 175.063 176.600 -0.071 0.000 1.029 670 E CA -1.473 54.934 56.400 0.012 0.000 0.872 670 E CB 0.781 30.500 29.700 0.032 0.000 1.015 670 E HN 0.045 nan 8.360 nan 0.000 0.417 671 P HA -0.055 nan 4.420 nan 0.000 0.224 671 P C -0.242 176.663 177.300 -0.659 0.000 1.157 671 P CA 1.025 63.883 63.100 -0.403 0.000 0.799 671 P CB 0.333 31.745 31.700 -0.480 0.000 0.809 672 Y N -1.803 118.419 120.300 -0.129 0.000 2.549 672 Y HA 0.316 4.864 4.550 -0.004 0.000 0.339 672 Y C 2.255 178.053 175.900 -0.171 0.000 1.053 672 Y CA -0.839 57.143 58.100 -0.197 0.000 1.105 672 Y CB 0.663 39.081 38.460 -0.071 0.000 1.258 672 Y HN -0.168 nan 8.280 nan 0.000 0.478 673 H N -0.411 118.760 119.070 0.169 0.000 2.423 673 H HA -0.068 4.486 4.556 -0.003 0.000 0.297 673 H C -0.213 175.178 175.328 0.106 0.000 1.075 673 H CA 1.195 57.292 56.048 0.082 0.000 1.342 673 H CB 0.042 29.829 29.762 0.042 0.000 1.395 673 H HN 0.577 nan 8.280 nan 0.000 0.530 674 D N 0.915 121.470 120.400 0.258 0.000 2.193 674 D HA 0.300 4.938 4.640 -0.004 0.000 0.244 674 D C -0.441 175.961 176.300 0.170 0.000 1.064 674 D CA -0.419 53.692 54.000 0.185 0.000 0.845 674 D CB 1.119 42.018 40.800 0.165 0.000 1.148 674 D HN 0.223 nan 8.370 nan 0.000 0.464 675 S N 1.697 117.481 115.700 0.141 0.000 2.643 675 S HA 0.624 5.092 4.470 -0.004 0.000 0.270 675 S C 0.776 175.448 174.600 0.121 0.000 1.166 675 S CA -0.377 57.900 58.200 0.129 0.000 0.815 675 S CB 0.844 64.119 63.200 0.125 0.000 1.139 675 S HN 0.418 nan 8.310 nan 0.000 0.472 676 A N 0.266 123.149 122.820 0.104 0.000 1.902 676 A HA 0.045 4.363 4.320 -0.004 0.000 0.217 676 A C 1.996 179.666 177.584 0.142 0.000 1.181 676 A CA 1.817 53.918 52.037 0.105 0.000 0.623 676 A CB -0.978 18.060 19.000 0.062 0.000 0.818 676 A HN 1.054 nan 8.150 nan 0.000 0.443 677 L N -0.365 120.932 121.223 0.123 0.000 2.044 677 L HA 0.057 4.395 4.340 -0.004 0.000 0.205 677 L C 2.620 179.620 176.870 0.218 0.000 1.075 677 L CA 2.141 57.078 54.840 0.161 0.000 0.747 677 L CB -0.836 41.289 42.059 0.110 0.000 0.903 677 L HN 0.306 nan 8.230 nan 0.000 0.435 678 A N -0.191 122.733 122.820 0.173 0.000 1.908 678 A HA -0.243 4.075 4.320 -0.004 0.000 0.218 678 A C 2.431 180.113 177.584 0.165 0.000 1.181 678 A CA 1.992 54.131 52.037 0.170 0.000 0.627 678 A CB -0.580 18.511 19.000 0.151 0.000 0.818 678 A HN 0.529 nan 8.150 nan 0.000 0.445 679 R N -2.150 118.449 120.500 0.164 0.000 2.092 679 R HA -0.058 4.280 4.340 -0.004 0.000 0.231 679 R C 1.979 178.380 176.300 0.170 0.000 1.119 679 R CA 1.460 57.648 56.100 0.147 0.000 0.970 679 R CB -0.443 29.937 30.300 0.133 0.000 0.864 679 R HN 0.601 nan 8.270 nan 0.000 0.440 680 F N 1.329 121.322 119.950 0.073 0.000 2.171 680 F HA -0.127 4.398 4.527 -0.003 0.000 0.300 680 F C 1.681 177.529 175.800 0.080 0.000 1.090 680 F CA 1.337 59.380 58.000 0.072 0.000 1.293 680 F CB -0.061 38.979 39.000 0.068 0.000 1.013 680 F HN -0.113 nan 8.300 nan 0.000 0.486 681 L N -0.384 120.915 121.223 0.127 0.000 2.027 681 L HA -0.216 4.122 4.340 -0.004 0.000 0.206 681 L C 2.561 179.417 176.870 -0.023 0.000 1.074 681 L CA 1.081 55.935 54.840 0.023 0.000 0.745 681 L CB -0.934 41.192 42.059 0.112 0.000 0.898 681 L HN 0.227 nan 8.230 nan 0.000 0.433 682 L N 0.277 121.528 121.223 0.046 0.000 1.971 682 L HA -0.315 4.022 4.340 -0.004 0.000 0.215 682 L C 2.869 179.772 176.870 0.054 0.000 1.072 682 L CA 1.868 56.762 54.840 0.090 0.000 0.758 682 L CB -0.349 41.768 42.059 0.097 0.000 0.889 682 L HN 0.333 nan 8.230 nan 0.000 0.433 683 K N -0.467 119.926 120.400 -0.011 0.000 2.001 683 K HA -0.252 4.066 4.320 -0.004 0.000 0.214 683 K C 2.115 178.660 176.600 -0.093 0.000 1.050 683 K CA 1.608 57.865 56.287 -0.050 0.000 0.934 683 K CB -0.094 32.366 32.500 -0.066 0.000 0.718 683 K HN 0.210 nan 8.250 nan 0.000 0.443 684 R N -0.177 120.183 120.500 -0.234 0.000 2.189 684 R HA -0.029 4.309 4.340 -0.004 0.000 0.223 684 R C 2.301 178.577 176.300 -0.040 0.000 1.092 684 R CA 1.137 57.113 56.100 -0.206 0.000 0.989 684 R CB -0.844 29.209 30.300 -0.412 0.000 0.876 684 R HN 0.514 nan 8.270 nan 0.000 0.457 685 G N 0.657 109.468 108.800 0.019 0.000 2.395 685 G HA2 -0.138 3.820 3.960 -0.004 0.000 0.214 685 G HA3 -0.138 3.820 3.960 -0.004 0.000 0.214 685 G C 1.475 176.576 174.900 0.335 0.000 1.177 685 G CA -0.045 45.140 45.100 0.143 0.000 0.794 685 G HN 0.202 nan 8.290 nan 0.000 0.532 686 L N -0.162 121.217 121.223 0.260 0.000 2.456 686 L HA 0.124 4.462 4.340 -0.004 0.000 0.224 686 L C 2.670 179.563 176.870 0.038 0.000 1.148 686 L CA 0.343 55.267 54.840 0.140 0.000 0.825 686 L CB -0.099 41.971 42.059 0.018 0.000 0.937 686 L HN 0.133 nan 8.230 nan 0.000 0.450 687 R N -0.058 120.485 120.500 0.073 0.000 2.334 687 R HA 0.082 4.420 4.340 -0.004 0.000 0.216 687 R C -0.049 176.364 176.300 0.188 0.000 0.905 687 R CA 0.096 56.226 56.100 0.050 0.000 1.064 687 R CB 0.384 30.691 30.300 0.012 0.000 1.046 687 R HN 0.237 nan 8.270 nan 0.000 0.508 688 N N 0.074 118.941 118.700 0.278 0.000 2.452 688 N HA 0.061 4.799 4.740 -0.004 0.000 0.277 688 N C -0.397 175.249 175.510 0.228 0.000 1.078 688 N CA -0.268 52.934 53.050 0.253 0.000 0.947 688 N CB 1.779 40.344 38.487 0.130 0.000 1.655 688 N HN -0.197 nan 8.380 nan 0.000 0.490 689 K N 1.385 121.833 120.400 0.081 0.000 2.103 689 K HA 0.052 4.370 4.320 -0.004 0.000 0.204 689 K C 1.735 178.308 176.600 -0.045 0.000 1.052 689 K CA 0.789 57.033 56.287 -0.072 0.000 0.945 689 K CB 0.284 32.530 32.500 -0.424 0.000 0.722 689 K HN 0.429 nan 8.250 nan 0.000 0.443 690 R N 0.892 121.365 120.500 -0.046 0.000 2.070 690 R HA -0.093 4.245 4.340 -0.004 0.000 0.232 690 R C 2.291 178.658 176.300 0.112 0.000 1.138 690 R CA 1.505 57.592 56.100 -0.023 0.000 0.936 690 R CB -0.351 29.861 30.300 -0.146 0.000 0.839 690 R HN 0.134 nan 8.270 nan 0.000 0.429 691 I N -0.264 120.351 120.570 0.075 0.000 2.151 691 I HA -0.244 3.924 4.170 -0.004 0.000 0.243 691 I C 2.494 178.628 176.117 0.029 0.000 1.080 691 I CA 1.623 62.969 61.300 0.077 0.000 1.339 691 I CB -0.702 37.324 38.000 0.042 0.000 1.039 691 I HN 0.399 nan 8.210 nan 0.000 0.409 692 G N -0.420 108.425 108.800 0.076 0.000 2.442 692 G HA2 -0.350 3.608 3.960 -0.004 0.000 0.219 692 G HA3 -0.350 3.608 3.960 -0.004 0.000 0.219 692 G C 1.479 176.356 174.900 -0.038 0.000 1.141 692 G CA 1.363 46.481 45.100 0.030 0.000 0.763 692 G HN 0.447 nan 8.290 nan 0.000 0.554 693 H N -0.019 119.041 119.070 -0.017 0.000 2.321 693 H HA 0.004 4.558 4.556 -0.004 0.000 0.300 693 H C 2.110 177.291 175.328 -0.246 0.000 1.087 693 H CA 1.621 57.632 56.048 -0.063 0.000 1.319 693 H CB -0.367 29.222 29.762 -0.289 0.000 1.379 693 H HN 0.359 nan 8.280 nan 0.000 0.501 694 F N -0.685 119.096 119.950 -0.282 0.000 2.325 694 F HA -0.030 4.495 4.527 -0.003 0.000 0.299 694 F C 2.396 177.594 175.800 -1.003 0.000 1.090 694 F CA 0.550 58.125 58.000 -0.709 0.000 1.392 694 F CB -0.188 38.393 39.000 -0.697 0.000 1.053 694 F HN 0.188 nan 8.300 nan 0.000 0.521 695 L N -0.998 119.946 121.223 -0.464 0.000 2.141 695 L HA -0.180 4.158 4.340 -0.004 0.000 0.209 695 L C 2.245 178.805 176.870 -0.516 0.000 1.094 695 L CA 1.253 55.844 54.840 -0.416 0.000 0.763 695 L CB -0.519 41.306 42.059 -0.389 0.000 0.908 695 L HN 0.144 nan 8.230 nan 0.000 0.437 696 F N -0.775 118.698 119.950 -0.796 0.000 2.051 696 F HA -0.235 4.290 4.527 -0.003 0.000 0.296 696 F C 1.869 177.181 175.800 -0.813 0.000 1.122 696 F CA 1.868 59.307 58.000 -0.936 0.000 1.201 696 F CB -0.629 37.553 39.000 -1.363 0.000 0.978 696 F HN 0.059 nan 8.300 nan 0.000 0.472 697 W N -0.012 121.073 121.300 -0.359 0.000 2.335 697 W HA -0.195 4.463 4.660 -0.004 0.000 0.311 697 W C 2.544 178.963 176.519 -0.168 0.000 1.213 697 W CA 1.653 58.834 57.345 -0.274 0.000 1.274 697 W CB -0.979 28.335 29.460 -0.242 0.000 1.148 697 W HN 0.042 nan 8.180 nan 0.000 0.498 698 F N -0.157 119.775 119.950 -0.030 0.000 2.126 698 F HA -0.257 4.269 4.527 -0.003 0.000 0.299 698 F C 2.143 177.746 175.800 -0.328 0.000 1.096 698 F CA 0.673 58.593 58.000 -0.134 0.000 1.255 698 F CB -0.877 38.045 39.000 -0.131 0.000 0.997 698 F HN -0.170 nan 8.300 nan 0.000 0.479 699 L N -0.230 120.827 121.223 -0.277 0.000 2.109 699 L HA -0.155 4.183 4.340 -0.004 0.000 0.207 699 L C 2.534 179.148 176.870 -0.427 0.000 1.086 699 L CA 1.019 55.551 54.840 -0.513 0.000 0.760 699 L CB -0.611 41.164 42.059 -0.474 0.000 0.910 699 L HN 0.053 nan 8.230 nan 0.000 0.437 700 R N 0.431 120.644 120.500 -0.477 0.000 2.096 700 R HA -0.163 4.175 4.340 -0.004 0.000 0.235 700 R C 2.608 178.809 176.300 -0.165 0.000 1.127 700 R CA 1.683 57.524 56.100 -0.432 0.000 0.968 700 R CB -0.108 29.754 30.300 -0.730 0.000 0.861 700 R HN 0.466 nan 8.270 nan 0.000 0.440 701 S N 0.353 116.018 115.700 -0.058 0.000 2.382 701 S HA -0.112 4.356 4.470 -0.004 0.000 0.228 701 S C 1.553 176.142 174.600 -0.018 0.000 1.027 701 S CA 0.974 59.186 58.200 0.020 0.000 0.991 701 S CB -0.148 63.096 63.200 0.074 0.000 0.823 701 S HN 0.323 nan 8.310 nan 0.000 0.469 702 E N 1.441 121.586 120.200 -0.093 0.000 2.107 702 E HA 0.113 4.461 4.350 -0.004 0.000 0.191 702 E C 2.085 178.728 176.600 0.072 0.000 0.982 702 E CA 0.691 57.078 56.400 -0.021 0.000 0.809 702 E CB -0.441 29.185 29.700 -0.124 0.000 0.756 702 E HN 0.618 nan 8.360 nan 0.000 0.459 703 I N 1.083 121.660 120.570 0.011 0.000 2.315 703 I HA -0.207 3.961 4.170 -0.004 0.000 0.248 703 I C 2.372 178.512 176.117 0.038 0.000 1.117 703 I CA 1.083 62.401 61.300 0.029 0.000 1.404 703 I CB -0.222 37.764 38.000 -0.023 0.000 1.071 703 I HN -0.017 nan 8.210 nan 0.000 0.419 704 A N -0.338 122.500 122.820 0.030 0.000 1.968 704 A HA -0.161 4.157 4.320 -0.004 0.000 0.217 704 A C 2.206 179.836 177.584 0.075 0.000 1.169 704 A CA 1.342 53.414 52.037 0.058 0.000 0.638 704 A CB -0.233 18.803 19.000 0.061 0.000 0.812 704 A HN 0.465 nan 8.150 nan 0.000 0.446 705 Q N -1.257 118.585 119.800 0.072 0.000 2.442 705 Q HA 0.120 4.458 4.340 -0.004 0.000 0.228 705 Q C 0.662 176.719 176.000 0.096 0.000 0.902 705 Q CA 0.490 56.341 55.803 0.080 0.000 0.933 705 Q CB 0.444 29.221 28.738 0.065 0.000 1.071 705 Q HN 0.488 nan 8.270 nan 0.000 0.562 706 S N 1.036 116.801 115.700 0.109 0.000 2.410 706 S HA 0.164 4.631 4.470 -0.004 0.000 0.304 706 S C 0.797 175.471 174.600 0.122 0.000 1.095 706 S CA -0.691 57.597 58.200 0.148 0.000 1.089 706 S CB 0.604 63.923 63.200 0.198 0.000 0.968 706 S HN 0.321 nan 8.310 nan 0.000 0.480 707 R N 3.376 123.937 120.500 0.101 0.000 2.246 707 R HA 0.090 4.428 4.340 -0.004 0.000 0.199 707 R C 0.792 177.056 176.300 -0.060 0.000 0.984 707 R CA 0.623 56.753 56.100 0.050 0.000 1.015 707 R CB -0.598 29.786 30.300 0.140 0.000 0.930 707 R HN 0.669 nan 8.270 nan 0.000 0.475 708 H N -0.017 118.904 119.070 -0.248 0.000 2.357 708 H HA -0.041 4.513 4.556 -0.004 0.000 0.301 708 H C 0.574 175.565 175.328 -0.562 0.000 1.082 708 H CA 1.880 57.611 56.048 -0.528 0.000 1.342 708 H CB -0.005 29.407 29.762 -0.583 0.000 1.389 708 H HN 0.229 nan 8.280 nan 0.000 0.511 709 Y N 0.292 120.569 120.300 -0.037 0.000 2.453 709 Y HA 0.024 4.572 4.550 -0.004 0.000 0.247 709 Y C 2.154 177.939 175.900 -0.192 0.000 1.124 709 Y CA -0.178 57.809 58.100 -0.188 0.000 1.243 709 Y CB 0.283 38.531 38.460 -0.354 0.000 1.213 709 Y HN 0.239 nan 8.280 nan 0.000 0.523 710 Q N 0.648 120.454 119.800 0.009 0.000 2.173 710 Q HA -0.307 4.031 4.340 -0.004 0.000 0.208 710 Q C 1.273 177.097 176.000 -0.295 0.000 0.989 710 Q CA 2.206 57.965 55.803 -0.075 0.000 0.872 710 Q CB -0.457 28.162 28.738 -0.198 0.000 0.909 710 Q HN 0.552 nan 8.270 nan 0.000 0.420 711 Q N 0.601 120.146 119.800 -0.425 0.000 2.020 711 Q HA -0.168 4.170 4.340 -0.004 0.000 0.202 711 Q C 2.317 178.150 176.000 -0.278 0.000 0.982 711 Q CA 1.709 57.250 55.803 -0.437 0.000 0.838 711 Q CB -0.244 28.291 28.738 -0.339 0.000 0.899 711 Q HN 0.436 nan 8.270 nan 0.000 0.423 712 R N 0.250 120.589 120.500 -0.268 0.000 2.081 712 R HA -0.136 4.202 4.340 -0.004 0.000 0.235 712 R C 2.006 178.246 176.300 -0.099 0.000 1.131 712 R CA 1.364 57.337 56.100 -0.213 0.000 0.960 712 R CB -0.195 30.053 30.300 -0.087 0.000 0.856 712 R HN 0.236 nan 8.270 nan 0.000 0.436 713 F N 0.202 120.132 119.950 -0.033 0.000 2.206 713 F HA -0.037 4.488 4.527 -0.004 0.000 0.298 713 F C 2.591 178.338 175.800 -0.087 0.000 1.090 713 F CA 0.325 58.294 58.000 -0.051 0.000 1.323 713 F CB -0.128 38.839 39.000 -0.055 0.000 1.028 713 F HN 0.209 nan 8.300 nan 0.000 0.492 714 A N -0.069 122.796 122.820 0.075 0.000 1.940 714 A HA -0.149 4.169 4.320 -0.004 0.000 0.219 714 A C 2.225 179.836 177.584 0.044 0.000 1.176 714 A CA 1.750 53.813 52.037 0.044 0.000 0.631 714 A CB -1.097 17.960 19.000 0.096 0.000 0.814 714 A HN 0.191 nan 8.150 nan 0.000 0.446 715 V N 0.153 120.081 119.914 0.024 0.000 2.427 715 V HA -0.221 3.897 4.120 -0.004 0.000 0.248 715 V C 2.361 178.483 176.094 0.046 0.000 1.051 715 V CA 1.841 64.151 62.300 0.017 0.000 1.048 715 V CB -0.597 31.207 31.823 -0.032 0.000 0.666 715 V HN 0.581 nan 8.190 nan 0.000 0.456 716 I N -0.756 119.864 120.570 0.083 0.000 2.394 716 I HA -0.218 3.950 4.170 -0.004 0.000 0.251 716 I C 2.349 178.517 176.117 0.085 0.000 1.136 716 I CA 1.314 62.679 61.300 0.107 0.000 1.425 716 I CB -0.236 37.872 38.000 0.180 0.000 1.079 716 I HN 0.279 nan 8.210 nan 0.000 0.425 717 L N 0.796 122.042 121.223 0.039 0.000 2.005 717 L HA -0.224 4.114 4.340 -0.004 0.000 0.207 717 L C 2.644 179.556 176.870 0.069 0.000 1.072 717 L CA 1.696 56.535 54.840 -0.002 0.000 0.744 717 L CB -0.383 41.588 42.059 -0.147 0.000 0.895 717 L HN 0.317 nan 8.230 nan 0.000 0.433 718 E N 0.117 120.334 120.200 0.027 0.000 2.065 718 E HA -0.318 4.030 4.350 -0.004 0.000 0.201 718 E C 1.965 178.589 176.600 0.040 0.000 1.016 718 E CA 1.769 58.177 56.400 0.014 0.000 0.818 718 E CB -0.113 29.587 29.700 -0.001 0.000 0.749 718 E HN 0.540 nan 8.360 nan 0.000 0.453 719 A N -0.266 122.589 122.820 0.059 0.000 2.024 719 A HA -0.196 4.122 4.320 -0.004 0.000 0.220 719 A C 1.970 179.602 177.584 0.080 0.000 1.164 719 A CA 1.536 53.610 52.037 0.062 0.000 0.643 719 A CB -0.734 18.305 19.000 0.064 0.000 0.806 719 A HN 0.661 nan 8.150 nan 0.000 0.451 720 Y N -0.117 120.195 120.300 0.020 0.000 2.314 720 Y HA 0.130 4.678 4.550 -0.003 0.000 0.294 720 Y C 1.695 177.642 175.900 0.078 0.000 1.119 720 Y CA 1.156 59.279 58.100 0.038 0.000 1.179 720 Y CB -0.121 38.348 38.460 0.015 0.000 1.025 720 Y HN 0.155 nan 8.280 nan 0.000 0.541 721 L N 0.183 121.385 121.223 -0.035 0.000 2.376 721 L HA -0.060 4.278 4.340 -0.004 0.000 0.219 721 L C 1.927 178.784 176.870 -0.021 0.000 1.133 721 L CA 0.887 55.706 54.840 -0.034 0.000 0.816 721 L CB -0.314 41.796 42.059 0.085 0.000 0.933 721 L HN 0.117 nan 8.230 nan 0.000 0.449 722 R N -0.291 120.203 120.500 -0.010 0.000 2.310 722 R HA 0.090 4.428 4.340 -0.004 0.000 0.202 722 R C 1.257 177.566 176.300 0.015 0.000 0.933 722 R CA 0.544 56.691 56.100 0.077 0.000 1.054 722 R CB 0.280 30.635 30.300 0.091 0.000 0.985 722 R HN 0.302 nan 8.270 nan 0.000 0.489 723 G N -0.748 107.997 108.800 -0.092 0.000 4.399 723 G HA2 -0.056 3.902 3.960 -0.004 0.000 0.268 723 G HA3 -0.056 3.902 3.960 -0.004 0.000 0.268 723 G C 0.852 175.653 174.900 -0.164 0.000 1.038 723 G CA -0.208 44.827 45.100 -0.108 0.000 0.811 723 G HN 0.383 nan 8.290 nan 0.000 0.408 724 C N -0.802 118.357 119.300 -0.235 0.000 2.533 724 C HA 0.639 5.096 4.460 -0.004 0.000 0.272 724 C C 1.464 176.490 174.990 0.059 0.000 1.371 724 C CA 0.432 59.359 59.018 -0.151 0.000 1.758 724 C CB -0.744 26.786 27.740 -0.350 0.000 1.972 724 C HN 1.351 nan 8.230 nan 0.000 0.522 725 G N -0.460 108.353 108.800 0.022 0.000 2.371 725 G HA2 0.128 4.086 3.960 -0.004 0.000 0.663 725 G HA3 0.128 4.086 3.960 -0.004 0.000 0.663 725 G C 0.034 174.952 174.900 0.031 0.000 1.311 725 G CA 0.053 45.182 45.100 0.048 0.000 0.985 725 G HN 0.163 nan 8.290 nan 0.000 0.566 726 T N 0.687 115.253 114.554 0.020 0.000 3.009 726 T HA 0.299 4.646 4.350 -0.004 0.000 0.258 726 T C 2.742 177.449 174.700 0.011 0.000 1.063 726 T CA 2.275 64.388 62.100 0.022 0.000 1.139 726 T CB -0.255 68.612 68.868 -0.001 0.000 0.890 726 T HN 1.346 nan 8.240 nan 0.000 0.471 727 A N 2.125 124.931 122.820 -0.023 0.000 1.855 727 A HA -0.021 4.297 4.320 -0.004 0.000 0.215 727 A C 2.329 179.835 177.584 -0.131 0.000 1.191 727 A CA 1.290 53.302 52.037 -0.042 0.000 0.613 727 A CB -0.617 18.340 19.000 -0.073 0.000 0.829 727 A HN 0.369 nan 8.150 nan 0.000 0.442 728 M N -1.306 118.154 119.600 -0.232 0.000 2.159 728 M HA -0.121 4.357 4.480 -0.004 0.000 0.263 728 M C 2.148 178.107 176.300 -0.568 0.000 1.063 728 M CA 1.208 56.187 55.300 -0.536 0.000 1.110 728 M CB -0.744 31.591 32.600 -0.441 0.000 1.374 728 M HN 0.372 nan 8.290 nan 0.000 0.411 729 L N -0.171 120.968 121.223 -0.140 0.000 2.127 729 L HA -0.213 4.125 4.340 -0.004 0.000 0.211 729 L C 2.547 179.438 176.870 0.036 0.000 1.089 729 L CA 1.946 56.821 54.840 0.059 0.000 0.757 729 L CB -0.866 41.268 42.059 0.126 0.000 0.899 729 L HN 0.326 nan 8.230 nan 0.000 0.434 730 H N -1.118 117.889 119.070 -0.104 0.000 2.372 730 H HA -0.073 4.481 4.556 -0.003 0.000 0.301 730 H C 1.857 177.121 175.328 -0.107 0.000 1.065 730 H CA 1.685 57.690 56.048 -0.072 0.000 1.364 730 H CB -0.021 29.702 29.762 -0.065 0.000 1.406 730 H HN 0.301 nan 8.280 nan 0.000 0.521 731 D N 0.084 120.228 120.400 -0.428 0.000 2.104 731 D HA -0.183 4.455 4.640 -0.004 0.000 0.194 731 D C 2.096 178.209 176.300 -0.311 0.000 0.994 731 D CA 1.311 55.038 54.000 -0.455 0.000 0.830 731 D CB -0.450 40.053 40.800 -0.495 0.000 0.959 731 D HN 0.437 nan 8.370 nan 0.000 0.452 732 F N 1.276 121.053 119.950 -0.288 0.000 2.216 732 F HA -0.164 4.361 4.527 -0.003 0.000 0.300 732 F C 2.702 178.370 175.800 -0.220 0.000 1.085 732 F CA 0.728 58.474 58.000 -0.424 0.000 1.326 732 F CB -0.304 38.211 39.000 -0.809 0.000 1.027 732 F HN -0.082 nan 8.300 nan 0.000 0.497 733 T N -0.865 113.687 114.554 -0.004 0.000 2.737 733 T HA -0.172 4.176 4.350 -0.004 0.000 0.265 733 T C 1.921 176.609 174.700 -0.020 0.000 1.038 733 T CA 1.018 63.123 62.100 0.009 0.000 1.144 733 T CB -0.233 68.650 68.868 0.025 0.000 0.866 733 T HN 0.134 nan 8.240 nan 0.000 0.434 734 Q N 1.373 121.105 119.800 -0.113 0.000 2.124 734 Q HA -0.076 4.262 4.340 -0.004 0.000 0.202 734 Q C 2.409 178.389 176.000 -0.033 0.000 0.977 734 Q CA 1.419 57.179 55.803 -0.072 0.000 0.850 734 Q CB -0.446 28.225 28.738 -0.112 0.000 0.901 734 Q HN 0.664 nan 8.270 nan 0.000 0.429 735 Q N -0.178 119.642 119.800 0.034 0.000 2.016 735 Q HA -0.077 4.261 4.340 -0.004 0.000 0.200 735 Q C 2.300 178.381 176.000 0.136 0.000 0.978 735 Q CA 1.420 57.277 55.803 0.089 0.000 0.833 735 Q CB -0.126 28.841 28.738 0.382 0.000 0.895 735 Q HN 0.164 nan 8.270 nan 0.000 0.427 736 V N 1.160 121.195 119.914 0.203 0.000 2.392 736 V HA -0.317 3.801 4.120 -0.004 0.000 0.249 736 V C 2.287 178.440 176.094 0.098 0.000 1.059 736 V CA 2.084 64.505 62.300 0.202 0.000 1.051 736 V CB -0.580 31.332 31.823 0.148 0.000 0.658 736 V HN 0.374 nan 8.190 nan 0.000 0.455 737 Q N -0.484 119.338 119.800 0.038 0.000 2.020 737 Q HA -0.180 4.158 4.340 -0.004 0.000 0.202 737 Q C 2.306 178.282 176.000 -0.039 0.000 0.982 737 Q CA 2.311 58.118 55.803 0.006 0.000 0.838 737 Q CB -0.218 28.521 28.738 0.002 0.000 0.899 737 Q HN 0.484 nan 8.270 nan 0.000 0.423 738 V N 0.750 120.584 119.914 -0.133 0.000 2.287 738 V HA -0.316 3.802 4.120 -0.004 0.000 0.248 738 V C 2.208 178.209 176.094 -0.155 0.000 1.053 738 V CA 1.925 64.080 62.300 -0.242 0.000 1.027 738 V CB -0.500 30.893 31.823 -0.716 0.000 0.646 738 V HN 0.419 nan 8.190 nan 0.000 0.447 739 I N -0.151 120.378 120.570 -0.069 0.000 2.127 739 I HA -0.263 3.905 4.170 -0.004 0.000 0.241 739 I C 2.360 178.523 176.117 0.076 0.000 1.075 739 I CA 1.818 63.179 61.300 0.101 0.000 1.334 739 I CB -0.534 37.598 38.000 0.220 0.000 1.040 739 I HN 0.348 nan 8.210 nan 0.000 0.405 740 D N 0.498 120.940 120.400 0.069 0.000 2.149 740 D HA -0.192 4.445 4.640 -0.004 0.000 0.198 740 D C 2.276 178.579 176.300 0.005 0.000 0.990 740 D CA 1.455 55.488 54.000 0.054 0.000 0.839 740 D CB -0.141 40.690 40.800 0.053 0.000 0.948 740 D HN 0.376 nan 8.370 nan 0.000 0.460 741 M N -0.284 119.300 119.600 -0.027 0.000 2.319 741 M HA -0.040 4.438 4.480 -0.004 0.000 0.265 741 M C 2.016 178.255 176.300 -0.101 0.000 1.068 741 M CA 0.751 56.022 55.300 -0.048 0.000 1.118 741 M CB 0.054 32.630 32.600 -0.040 0.000 1.395 741 M HN -0.021 nan 8.290 nan 0.000 0.435 742 L N -0.534 120.577 121.223 -0.186 0.000 2.529 742 L HA -0.039 4.299 4.340 -0.004 0.000 0.223 742 L C 2.500 179.178 176.870 -0.320 0.000 1.113 742 L CA 0.102 54.713 54.840 -0.382 0.000 0.861 742 L CB -0.262 41.291 42.059 -0.844 0.000 1.012 742 L HN 0.294 nan 8.230 nan 0.000 0.461 743 Q N 0.354 120.086 119.800 -0.113 0.000 2.079 743 Q HA -0.215 4.123 4.340 -0.004 0.000 0.200 743 Q C 2.019 178.015 176.000 -0.007 0.000 0.974 743 Q CA 1.219 57.037 55.803 0.025 0.000 0.840 743 Q CB -0.028 28.766 28.738 0.095 0.000 0.898 743 Q HN 0.419 nan 8.270 nan 0.000 0.430 744 K N 0.498 120.881 120.400 -0.028 0.000 2.032 744 K HA -0.131 4.187 4.320 -0.004 0.000 0.209 744 K C 2.141 178.717 176.600 -0.040 0.000 1.048 744 K CA 1.267 57.537 56.287 -0.029 0.000 0.927 744 K CB 0.072 32.557 32.500 -0.024 0.000 0.712 744 K HN -0.024 nan 8.250 nan 0.000 0.441 745 V N 1.019 120.899 119.914 -0.057 0.000 2.237 745 V HA -0.282 3.836 4.120 -0.004 0.000 0.245 745 V C 2.204 178.278 176.094 -0.033 0.000 1.046 745 V CA 2.428 64.698 62.300 -0.050 0.000 1.007 745 V CB -0.930 30.850 31.823 -0.072 0.000 0.638 745 V HN 0.484 nan 8.190 nan 0.000 0.445 746 T N 0.527 115.061 114.554 -0.034 0.000 2.684 746 T HA -0.266 4.082 4.350 -0.004 0.000 0.267 746 T C 1.699 176.411 174.700 0.020 0.000 1.032 746 T CA 2.372 64.492 62.100 0.034 0.000 1.155 746 T CB -0.401 68.535 68.868 0.113 0.000 0.857 746 T HN 0.412 nan 8.240 nan 0.000 0.457 747 I N 0.463 121.010 120.570 -0.038 0.000 2.852 747 I HA -0.025 4.143 4.170 -0.004 0.000 0.264 747 I C 1.863 177.932 176.117 -0.080 0.000 1.179 747 I CA 0.744 61.967 61.300 -0.128 0.000 1.480 747 I CB -0.157 37.708 38.000 -0.225 0.000 1.111 747 I HN 0.045 nan 8.210 nan 0.000 0.441 748 D N 0.773 121.145 120.400 -0.047 0.000 2.277 748 D HA -0.025 4.613 4.640 -0.004 0.000 0.208 748 D C 2.144 178.435 176.300 -0.015 0.000 0.962 748 D CA 0.931 54.912 54.000 -0.030 0.000 0.865 748 D CB 0.238 41.023 40.800 -0.025 0.000 0.939 748 D HN 0.194 nan 8.370 nan 0.000 0.510 749 I N 0.763 121.329 120.570 -0.006 0.000 2.585 749 I HA -0.098 4.070 4.170 -0.004 0.000 0.254 749 I C 2.192 178.320 176.117 0.018 0.000 1.129 749 I CA 0.617 61.923 61.300 0.010 0.000 1.455 749 I CB -0.612 37.401 38.000 0.021 0.000 1.111 749 I HN -0.016 nan 8.210 nan 0.000 0.433 750 K N 1.904 122.315 120.400 0.019 0.000 2.211 750 K HA -0.139 4.179 4.320 -0.004 0.000 0.203 750 K C 2.037 178.646 176.600 0.016 0.000 1.050 750 K CA 1.673 57.979 56.287 0.032 0.000 0.945 750 K CB -0.037 32.492 32.500 0.048 0.000 0.732 750 K HN 0.382 nan 8.250 nan 0.000 0.451 751 S N 1.135 116.834 115.700 -0.002 0.000 2.374 751 S HA -0.169 4.299 4.470 -0.004 0.000 0.227 751 S C 1.246 175.847 174.600 0.002 0.000 1.037 751 S CA 0.721 58.919 58.200 -0.004 0.000 1.024 751 S CB -0.734 62.459 63.200 -0.012 0.000 0.861 751 S HN 0.293 nan 8.310 nan 0.000 0.456 752 L N 2.947 124.173 121.223 0.004 0.000 2.433 752 L HA 0.335 4.673 4.340 -0.004 0.000 0.284 752 L C 0.509 177.383 176.870 0.007 0.000 1.120 752 L CA 0.131 54.974 54.840 0.005 0.000 0.879 752 L CB -0.253 41.810 42.059 0.007 0.000 1.232 752 L HN 0.463 nan 8.230 nan 0.000 0.454 753 S N 2.380 118.080 115.700 -0.000 0.000 3.024 753 S HA -0.090 4.378 4.470 -0.004 0.000 0.819 753 S C 0.328 174.923 174.600 -0.008 0.000 0.863 753 S CA 0.344 58.539 58.200 -0.008 0.000 1.423 753 S CB -0.355 62.844 63.200 -0.002 0.000 1.032 753 S HN 0.918 nan 8.310 nan 0.000 0.510 754 A N 4.444 127.248 122.820 -0.026 0.000 1.937 754 A HA 0.405 4.723 4.320 -0.004 0.000 0.198 754 A C 1.442 178.978 177.584 -0.081 0.000 1.635 754 A CA 0.789 52.811 52.037 -0.025 0.000 1.111 754 A CB -0.304 18.697 19.000 0.001 0.000 1.165 754 A HN 0.841 nan 8.150 nan 0.000 0.460 755 E N 0.066 120.205 120.200 -0.101 0.000 2.358 755 E HA -0.052 4.296 4.350 -0.004 0.000 0.195 755 E C -0.470 175.948 176.600 -0.303 0.000 1.010 755 E CA 0.624 56.929 56.400 -0.157 0.000 0.856 755 E CB 0.160 29.798 29.700 -0.104 0.000 0.795 755 E HN 0.122 nan 8.360 nan 0.000 0.504 756 K N 1.114 121.344 120.400 -0.284 0.000 2.604 756 K HA 0.122 4.440 4.320 -0.004 0.000 0.247 756 K C -1.376 175.071 176.600 -0.256 0.000 0.956 756 K CA -0.789 55.268 56.287 -0.384 0.000 0.896 756 K CB 0.752 33.146 32.500 -0.176 0.000 1.131 756 K HN 0.052 nan 8.250 nan 0.000 0.440 757 Y N 0.728 121.027 120.300 -0.001 0.000 2.828 757 Y HA 0.163 4.711 4.550 -0.004 0.000 0.364 757 Y C 0.202 176.102 175.900 0.000 0.000 1.277 757 Y CA -0.413 57.688 58.100 0.001 0.000 1.713 757 Y CB 0.019 38.477 38.460 -0.003 0.000 1.278 757 Y HN 0.315 nan 8.280 nan 0.000 0.502 758 D N 3.358 123.839 120.400 0.136 0.000 2.472 758 D HA 0.117 4.755 4.640 -0.004 0.000 0.248 758 D C -0.997 175.339 176.300 0.059 0.000 1.271 758 D CA -0.382 53.672 54.000 0.090 0.000 0.888 758 D CB 1.214 42.049 40.800 0.057 0.000 1.337 758 D HN 0.339 nan 8.370 nan 0.000 0.526 759 V N 2.748 122.697 119.914 0.058 0.000 2.427 759 V HA -0.051 4.067 4.120 -0.004 0.000 0.240 759 V C 1.061 177.171 176.094 0.027 0.000 1.128 759 V CA 0.266 62.590 62.300 0.039 0.000 1.262 759 V CB -0.863 30.977 31.823 0.029 0.000 1.277 759 V HN 0.381 nan 8.190 nan 0.000 0.482 760 S N 3.517 119.232 115.700 0.025 0.000 2.550 760 S HA -0.050 4.418 4.470 -0.004 0.000 0.285 760 S C 1.620 176.228 174.600 0.013 0.000 1.326 760 S CA 0.333 58.544 58.200 0.017 0.000 1.037 760 S CB 0.658 63.867 63.200 0.015 0.000 0.838 760 S HN 1.044 nan 8.310 nan 0.000 0.519 761 S N 1.491 117.197 115.700 0.010 0.000 2.481 761 S HA -0.162 4.306 4.470 -0.004 0.000 0.231 761 S C 1.587 176.191 174.600 0.007 0.000 0.996 761 S CA 0.753 58.957 58.200 0.007 0.000 0.942 761 S CB -0.327 62.876 63.200 0.006 0.000 0.768 761 S HN 0.855 nan 8.310 nan 0.000 0.520 762 Q N 0.440 120.244 119.800 0.008 0.000 2.204 762 Q HA 0.251 4.588 4.340 -0.004 0.000 0.198 762 Q C 2.009 178.013 176.000 0.008 0.000 0.946 762 Q CA 0.842 56.649 55.803 0.007 0.000 0.859 762 Q CB -0.623 28.119 28.738 0.006 0.000 0.946 762 Q HN 0.361 nan 8.270 nan 0.000 0.474 763 V N 1.192 121.112 119.914 0.010 0.000 2.913 763 V HA -0.138 3.979 4.120 -0.004 0.000 0.260 763 V C 1.897 177.999 176.094 0.013 0.000 1.098 763 V CA 1.046 63.353 62.300 0.012 0.000 1.121 763 V CB -0.328 31.505 31.823 0.017 0.000 0.714 763 V HN 0.411 nan 8.190 nan 0.000 0.487 764 I N -0.437 120.140 120.570 0.011 0.000 2.286 764 I HA -0.148 4.020 4.170 -0.004 0.000 0.245 764 I C 2.623 178.745 176.117 0.008 0.000 1.104 764 I CA 1.810 63.116 61.300 0.010 0.000 1.397 764 I CB -0.461 37.542 38.000 0.005 0.000 1.072 764 I HN 0.337 nan 8.210 nan 0.000 0.417 765 S N -0.047 115.657 115.700 0.006 0.000 2.414 765 S HA -0.192 4.276 4.470 -0.004 0.000 0.227 765 S C 1.995 176.598 174.600 0.004 0.000 1.022 765 S CA 1.073 59.276 58.200 0.005 0.000 0.958 765 S CB -0.114 63.088 63.200 0.004 0.000 0.797 765 S HN 0.413 nan 8.310 nan 0.000 0.493 766 Q N -0.104 119.699 119.800 0.005 0.000 2.297 766 Q HA 0.018 4.355 4.340 -0.004 0.000 0.204 766 Q C 2.017 178.019 176.000 0.003 0.000 0.962 766 Q CA 0.664 56.470 55.803 0.004 0.000 0.879 766 Q CB -0.070 28.670 28.738 0.004 0.000 0.947 766 Q HN 0.471 nan 8.270 nan 0.000 0.462 767 L N 0.808 122.035 121.223 0.007 0.000 2.007 767 L HA -0.127 4.211 4.340 -0.004 0.000 0.205 767 L C 1.660 178.531 176.870 0.002 0.000 1.073 767 L CA 1.889 56.733 54.840 0.007 0.000 0.744 767 L CB -0.546 41.523 42.059 0.018 0.000 0.898 767 L HN 0.165 nan 8.230 nan 0.000 0.435 768 K N -0.404 119.998 120.400 0.003 0.000 2.152 768 K HA -0.253 4.065 4.320 -0.004 0.000 0.206 768 K C 1.988 178.586 176.600 -0.003 0.000 1.048 768 K CA 1.462 57.749 56.287 -0.001 0.000 0.933 768 K CB -0.093 32.407 32.500 0.002 0.000 0.721 768 K HN 0.248 nan 8.250 nan 0.000 0.447 769 Q N 1.728 121.528 119.800 -0.001 0.000 2.084 769 Q HA -0.112 4.226 4.340 -0.004 0.000 0.202 769 Q C 1.536 177.534 176.000 -0.003 0.000 0.978 769 Q CA 1.706 57.508 55.803 -0.001 0.000 0.844 769 Q CB 0.107 28.846 28.738 0.001 0.000 0.898 769 Q HN 0.181 nan 8.270 nan 0.000 0.426 770 K N -0.318 120.078 120.400 -0.005 0.000 2.097 770 K HA -0.075 4.243 4.320 -0.004 0.000 0.206 770 K C 2.040 178.634 176.600 -0.012 0.000 1.049 770 K CA 1.232 57.514 56.287 -0.009 0.000 0.933 770 K CB -0.188 32.304 32.500 -0.013 0.000 0.717 770 K HN 0.256 nan 8.250 nan 0.000 0.442 771 L N 1.157 122.371 121.223 -0.015 0.000 2.191 771 L HA -0.165 4.173 4.340 -0.004 0.000 0.212 771 L C 2.303 179.170 176.870 -0.005 0.000 1.103 771 L CA 0.905 55.735 54.840 -0.017 0.000 0.769 771 L CB -0.413 41.628 42.059 -0.029 0.000 0.908 771 L HN 0.181 nan 8.230 nan 0.000 0.438 772 E N 0.316 120.515 120.200 -0.002 0.000 2.051 772 E HA -0.177 4.171 4.350 -0.004 0.000 0.192 772 E C 1.896 178.501 176.600 0.007 0.000 0.991 772 E CA 0.971 57.374 56.400 0.004 0.000 0.799 772 E CB -0.337 29.365 29.700 0.003 0.000 0.748 772 E HN 0.545 nan 8.360 nan 0.000 0.449 773 N N 0.893 119.596 118.700 0.004 0.000 2.120 773 N HA -0.125 4.613 4.740 -0.004 0.000 0.188 773 N C 2.221 177.737 175.510 0.009 0.000 1.024 773 N CA 0.924 53.978 53.050 0.006 0.000 0.852 773 N CB -0.231 38.258 38.487 0.002 0.000 1.003 773 N HN 0.164 nan 8.380 nan 0.000 0.424 774 L N 0.807 122.034 121.223 0.008 0.000 2.027 774 L HA -0.068 4.270 4.340 -0.004 0.000 0.206 774 L C 2.210 179.097 176.870 0.028 0.000 1.074 774 L CA 0.901 55.749 54.840 0.013 0.000 0.745 774 L CB -0.525 41.537 42.059 0.004 0.000 0.898 774 L HN 0.031 nan 8.230 nan 0.000 0.433 775 Q N 0.543 120.362 119.800 0.031 0.000 2.541 775 Q HA -0.103 4.235 4.340 -0.004 0.000 0.215 775 Q C 1.462 177.485 176.000 0.039 0.000 0.977 775 Q CA 0.429 56.259 55.803 0.045 0.000 0.934 775 Q CB -0.275 28.486 28.738 0.040 0.000 0.988 775 Q HN 0.498 nan 8.270 nan 0.000 0.521 776 N N -0.176 118.542 118.700 0.030 0.000 2.004 776 N HA -0.149 4.588 4.740 -0.004 0.000 0.196 776 N C 1.149 176.678 175.510 0.031 0.000 1.064 776 N CA 1.270 54.336 53.050 0.026 0.000 0.855 776 N CB 0.095 38.595 38.487 0.020 0.000 1.056 776 N HN 0.225 nan 8.380 nan 0.000 0.423 777 L N -1.021 120.221 121.223 0.033 0.000 4.368 777 L HA 0.121 4.459 4.340 -0.004 0.000 0.430 777 L C 0.487 177.380 176.870 0.038 0.000 1.098 777 L CA 0.146 55.008 54.840 0.036 0.000 1.557 777 L CB -0.266 41.811 42.059 0.029 0.000 1.638 777 L HN 0.179 nan 8.230 nan 0.000 0.622 778 N N -0.712 118.009 118.700 0.035 0.000 2.395 778 N HA 0.063 4.801 4.740 -0.004 0.000 0.175 778 N C 0.686 176.220 175.510 0.040 0.000 1.029 778 N CA -0.013 53.057 53.050 0.034 0.000 0.897 778 N CB 0.199 38.701 38.487 0.025 0.000 0.991 778 N HN 0.175 nan 8.380 nan 0.000 0.441 779 L N 1.952 123.203 121.223 0.047 0.000 2.361 779 L HA 0.338 4.676 4.340 -0.004 0.000 0.278 779 L C -2.408 174.515 176.870 0.088 0.000 1.113 779 L CA -1.951 52.925 54.840 0.061 0.000 0.849 779 L CB 0.359 42.463 42.059 0.076 0.000 1.155 779 L HN -0.004 nan 8.230 nan 0.000 0.452 780 P HA 0.016 nan 4.420 nan 0.000 0.261 780 P C -0.283 177.123 177.300 0.176 0.000 1.183 780 P CA 0.054 63.227 63.100 0.121 0.000 0.761 780 P CB 0.660 32.425 31.700 0.109 0.000 0.785 781 Q N 0.785 120.665 119.800 0.133 0.000 2.061 781 Q HA -0.078 4.260 4.340 -0.004 0.000 0.204 781 Q C 0.271 176.344 176.000 0.123 0.000 0.984 781 Q CA 1.390 57.266 55.803 0.122 0.000 0.846 781 Q CB -0.215 28.570 28.738 0.079 0.000 0.902 781 Q HN 0.366 nan 8.270 nan 0.000 0.421 782 S N -0.455 115.303 115.700 0.096 0.000 2.542 782 S HA 0.736 5.204 4.470 -0.004 0.000 0.293 782 S C -1.038 173.601 174.600 0.065 0.000 1.089 782 S CA -0.882 57.316 58.200 -0.003 0.000 0.961 782 S CB 1.276 64.448 63.200 -0.047 0.000 1.062 782 S HN 0.319 nan 8.310 nan 0.000 0.483 783 F N -0.684 119.199 119.950 -0.113 0.000 2.688 783 F HA 0.612 5.137 4.527 -0.004 0.000 0.308 783 F C -0.938 174.749 175.800 -0.188 0.000 1.117 783 F CA -1.331 56.581 58.000 -0.148 0.000 0.976 783 F CB 0.950 39.874 39.000 -0.127 0.000 1.291 783 F HN 0.333 nan 8.300 nan 0.000 0.439 784 R N 1.816 122.295 120.500 -0.034 0.000 2.438 784 R HA 0.505 4.843 4.340 -0.004 0.000 0.287 784 R C -0.891 175.374 176.300 -0.058 0.000 1.077 784 R CA -0.897 55.103 56.100 -0.167 0.000 1.034 784 R CB 1.468 31.633 30.300 -0.225 0.000 0.993 784 R HN 0.590 nan 8.270 nan 0.000 0.459 785 V N 6.607 126.363 119.914 -0.263 0.000 2.421 785 V HA -0.005 4.113 4.120 -0.004 0.000 0.271 785 V C -1.372 174.474 176.094 -0.414 0.000 1.031 785 V CA -0.993 61.091 62.300 -0.360 0.000 1.032 785 V CB 0.881 32.373 31.823 -0.553 0.000 1.009 785 V HN 0.666 nan 8.190 nan 0.000 0.477 786 P HA -0.227 nan 4.420 nan 0.000 0.218 786 P C 1.214 178.364 177.300 -0.250 0.000 1.154 786 P CA 1.896 64.733 63.100 -0.439 0.000 0.872 786 P CB -0.072 30.989 31.700 -1.065 0.000 0.790 787 Y N -2.480 117.792 120.300 -0.046 0.000 2.546 787 Y HA 0.347 4.895 4.550 -0.003 0.000 0.287 787 Y C 0.136 176.210 175.900 0.291 0.000 1.158 787 Y CA -0.329 57.884 58.100 0.189 0.000 1.307 787 Y CB -0.720 37.802 38.460 0.102 0.000 1.036 787 Y HN -0.144 nan 8.280 nan 0.000 0.532 788 D N 1.234 121.654 120.400 0.034 0.000 2.586 788 D HA 0.210 4.847 4.640 -0.004 0.000 0.254 788 D C -2.178 174.057 176.300 -0.109 0.000 1.248 788 D CA -2.274 51.804 54.000 0.131 0.000 0.843 788 D CB 1.064 41.978 40.800 0.189 0.000 1.332 788 D HN -0.090 nan 8.370 nan 0.000 0.523 789 P HA -0.129 nan 4.420 nan 0.000 0.217 789 P C 1.463 178.588 177.300 -0.292 0.000 1.148 789 P CA 1.087 63.889 63.100 -0.496 0.000 0.834 789 P CB 0.249 31.458 31.700 -0.818 0.000 0.783 790 G N -0.250 108.476 108.800 -0.124 0.000 2.471 790 G HA2 -0.091 3.867 3.960 -0.004 0.000 0.219 790 G HA3 -0.091 3.867 3.960 -0.004 0.000 0.219 790 G C 0.803 175.621 174.900 -0.137 0.000 1.125 790 G CA -0.025 45.020 45.100 -0.092 0.000 0.775 790 G HN 0.246 nan 8.290 nan 0.000 0.548 791 L N 1.043 122.185 121.223 -0.135 0.000 2.305 791 L HA 0.333 4.671 4.340 -0.004 0.000 0.281 791 L C -0.191 176.535 176.870 -0.240 0.000 1.085 791 L CA -0.509 54.237 54.840 -0.157 0.000 0.813 791 L CB 1.353 43.342 42.059 -0.117 0.000 1.157 791 L HN -0.092 nan 8.230 nan 0.000 0.436 792 K N 3.683 123.939 120.400 -0.241 0.000 2.367 792 K HA 0.508 4.825 4.320 -0.004 0.000 0.263 792 K C -0.720 175.657 176.600 -0.371 0.000 1.000 792 K CA -0.363 55.742 56.287 -0.303 0.000 0.891 792 K CB 1.786 34.156 32.500 -0.217 0.000 1.117 792 K HN 0.621 nan 8.250 nan 0.000 0.443 793 A N 2.770 125.198 122.820 -0.654 0.000 2.309 793 A HA 0.691 5.009 4.320 -0.004 0.000 0.298 793 A C 0.589 177.840 177.584 -0.555 0.000 1.165 793 A CA -0.111 51.503 52.037 -0.705 0.000 0.821 793 A CB 0.964 19.219 19.000 -1.242 0.000 1.102 793 A HN 0.750 nan 8.150 nan 0.000 0.500 794 G N 0.289 108.972 108.800 -0.195 0.000 3.271 794 G HA2 0.586 4.544 3.960 -0.004 0.000 0.174 794 G HA3 0.586 4.544 3.960 -0.004 0.000 0.174 794 G C 0.606 175.594 174.900 0.146 0.000 1.385 794 G CA 0.128 45.206 45.100 -0.038 0.000 0.979 794 G HN 1.374 nan 8.290 nan 0.000 0.610 795 A N -0.999 121.904 122.820 0.138 0.000 2.409 795 A HA 0.517 4.835 4.320 -0.004 0.000 0.246 795 A C -0.065 177.641 177.584 0.202 0.000 1.099 795 A CA -0.101 52.036 52.037 0.166 0.000 0.789 795 A CB -0.004 19.049 19.000 0.089 0.000 1.053 795 A HN 0.479 nan 8.150 nan 0.000 0.503 796 L N 1.135 122.416 121.223 0.097 0.000 2.292 796 L HA 0.291 4.629 4.340 -0.004 0.000 0.284 796 L C -0.373 176.434 176.870 -0.105 0.000 1.065 796 L CA -0.559 54.193 54.840 -0.147 0.000 0.806 796 L CB 1.605 43.548 42.059 -0.194 0.000 1.175 796 L HN 0.450 nan 8.230 nan 0.000 0.431 797 V N 6.516 126.348 119.914 -0.137 0.000 2.071 797 V HA 0.012 4.130 4.120 -0.004 0.000 0.254 797 V C 1.471 177.533 176.094 -0.053 0.000 1.456 797 V CA 0.094 62.364 62.300 -0.050 0.000 1.383 797 V CB -0.321 31.498 31.823 -0.007 0.000 1.433 797 V HN 0.726 nan 8.190 nan 0.000 0.499 798 I N 0.888 121.426 120.570 -0.052 0.000 2.229 798 I HA -0.329 3.838 4.170 -0.004 0.000 0.250 798 I C 2.284 178.397 176.117 -0.006 0.000 1.096 798 I CA 1.512 62.791 61.300 -0.036 0.000 1.358 798 I CB -0.192 37.795 38.000 -0.022 0.000 1.047 798 I HN 0.475 nan 8.210 nan 0.000 0.422 799 E N 1.227 121.430 120.200 0.004 0.000 2.038 799 E HA -0.206 4.142 4.350 -0.004 0.000 0.195 799 E C 2.020 178.638 176.600 0.029 0.000 1.000 799 E CA 1.382 57.791 56.400 0.015 0.000 0.803 799 E CB -0.194 29.517 29.700 0.017 0.000 0.750 799 E HN 0.441 nan 8.360 nan 0.000 0.448 800 K N -0.254 120.176 120.400 0.051 0.000 2.504 800 K HA 0.073 4.391 4.320 -0.004 0.000 0.195 800 K C -0.054 176.640 176.600 0.156 0.000 1.036 800 K CA 0.022 56.367 56.287 0.097 0.000 0.984 800 K CB -0.062 32.524 32.500 0.143 0.000 0.788 800 K HN 0.120 nan 8.250 nan 0.000 0.488 801 C N 2.634 122.000 119.300 0.110 0.000 2.601 801 C HA 0.269 4.727 4.460 -0.004 0.000 0.409 801 C C 0.541 175.599 174.990 0.113 0.000 1.293 801 C CA -0.639 58.468 59.018 0.148 0.000 2.101 801 C CB -0.457 27.306 27.740 0.039 0.000 2.639 801 C HN 0.518 nan 8.230 nan 0.000 0.592 802 K N 0.632 121.128 120.400 0.160 0.000 2.454 802 K HA 0.739 5.057 4.320 -0.004 0.000 0.279 802 K C -2.089 174.584 176.600 0.122 0.000 1.020 802 K CA -0.738 55.597 56.287 0.080 0.000 0.850 802 K CB 1.021 33.510 32.500 -0.018 0.000 1.529 802 K HN 0.185 nan 8.250 nan 0.000 0.390 803 V N 2.019 121.978 119.914 0.075 0.000 2.349 803 V HA 0.303 4.421 4.120 -0.004 0.000 0.284 803 V C -0.267 175.871 176.094 0.074 0.000 1.014 803 V CA -0.725 61.632 62.300 0.095 0.000 0.826 803 V CB 0.970 32.835 31.823 0.071 0.000 1.009 803 V HN 0.669 nan 8.190 nan 0.000 0.431 804 M N 3.474 123.140 119.600 0.110 0.000 2.261 804 M HA 0.120 4.598 4.480 -0.004 0.000 0.350 804 M C 1.043 177.377 176.300 0.056 0.000 1.343 804 M CA 0.408 55.749 55.300 0.070 0.000 1.003 804 M CB 0.463 33.143 32.600 0.134 0.000 1.848 804 M HN 0.723 nan 8.290 nan 0.000 0.456 805 A N 3.561 126.393 122.820 0.019 0.000 3.029 805 A HA 0.235 4.552 4.320 -0.004 0.000 0.251 805 A C 0.605 178.204 177.584 0.026 0.000 1.749 805 A CA 0.024 52.079 52.037 0.029 0.000 1.386 805 A CB -0.460 18.537 19.000 -0.006 0.000 1.043 805 A HN 0.787 nan 8.150 nan 0.000 0.638 806 S N -0.751 114.989 115.700 0.066 0.000 2.623 806 S HA 0.471 4.938 4.470 -0.004 0.000 0.287 806 S C 1.298 175.995 174.600 0.162 0.000 1.123 806 S CA -0.265 57.975 58.200 0.067 0.000 1.016 806 S CB 0.764 64.005 63.200 0.067 0.000 1.233 806 S HN 0.435 nan 8.310 nan 0.000 0.512 807 K N 0.723 121.220 120.400 0.162 0.000 2.078 807 K HA 0.270 4.587 4.320 -0.004 0.000 0.203 807 K C 1.365 178.040 176.600 0.126 0.000 1.043 807 K CA 1.054 57.469 56.287 0.213 0.000 0.960 807 K CB -0.224 32.378 32.500 0.171 0.000 0.761 807 K HN 0.282 nan 8.250 nan 0.000 0.448 808 K N 1.433 121.893 120.400 0.099 0.000 2.546 808 K HA 0.129 4.447 4.320 -0.004 0.000 0.198 808 K C -0.786 175.883 176.600 0.116 0.000 1.028 808 K CA 0.112 56.457 56.287 0.098 0.000 1.150 808 K CB -0.058 32.489 32.500 0.080 0.000 0.876 808 K HN 0.034 nan 8.250 nan 0.000 0.508 809 K N 0.663 121.131 120.400 0.113 0.000 4.430 809 K HA -0.182 4.136 4.320 -0.004 0.000 0.283 809 K C -2.600 174.077 176.600 0.129 0.000 0.845 809 K CA 0.065 56.420 56.287 0.113 0.000 0.819 809 K CB -1.267 31.290 32.500 0.095 0.000 1.735 809 K HN 0.176 nan 8.250 nan 0.000 0.429 810 P HA 0.185 nan 4.420 nan 0.000 0.276 810 P C -0.004 177.416 177.300 0.201 0.000 1.252 810 P CA -0.477 62.729 63.100 0.176 0.000 0.802 810 P CB 0.684 32.484 31.700 0.166 0.000 1.035 811 L N 1.309 122.677 121.223 0.241 0.000 2.282 811 L HA 0.354 4.692 4.340 -0.004 0.000 0.288 811 L C -0.106 176.959 176.870 0.326 0.000 1.033 811 L CA -0.429 54.562 54.840 0.251 0.000 0.807 811 L CB 0.828 43.013 42.059 0.210 0.000 1.209 811 L HN 0.440 nan 8.230 nan 0.000 0.423 812 W N 7.042 128.409 121.300 0.112 0.000 2.295 812 W HA 0.456 5.114 4.660 -0.003 0.000 0.333 812 W C -1.670 174.906 176.519 0.096 0.000 0.990 812 W CA -0.619 56.793 57.345 0.110 0.000 1.453 812 W CB 0.645 30.149 29.460 0.073 0.000 1.263 812 W HN 0.389 nan 8.180 nan 0.000 0.380 813 L N 4.819 126.107 121.223 0.108 0.000 2.352 813 L HA 0.527 4.865 4.340 -0.004 0.000 0.269 813 L C 0.079 176.912 176.870 -0.062 0.000 1.034 813 L CA -0.731 54.132 54.840 0.039 0.000 0.806 813 L CB 1.784 43.898 42.059 0.092 0.000 1.244 813 L HN 0.226 nan 8.230 nan 0.000 0.447 814 E N 0.994 121.086 120.200 -0.180 0.000 2.308 814 E HA 0.549 4.897 4.350 -0.004 0.000 0.275 814 E C -1.696 174.751 176.600 -0.255 0.000 0.890 814 E CA -0.521 55.848 56.400 -0.052 0.000 0.754 814 E CB 2.500 32.244 29.700 0.073 0.000 1.207 814 E HN 0.194 nan 8.360 nan 0.000 0.426 815 F N 0.607 120.592 119.950 0.058 0.000 2.631 815 F HA 0.491 5.016 4.527 -0.004 0.000 0.328 815 F C 0.356 176.160 175.800 0.008 0.000 1.067 815 F CA -1.015 57.008 58.000 0.038 0.000 0.969 815 F CB 1.093 40.104 39.000 0.018 0.000 1.332 815 F HN 0.061 nan 8.300 nan 0.000 0.490 816 K N -0.049 120.467 120.400 0.194 0.000 2.087 816 K HA 0.442 4.760 4.320 -0.004 0.000 0.255 816 K C -0.980 175.644 176.600 0.040 0.000 0.988 816 K CA -0.730 55.612 56.287 0.091 0.000 0.915 816 K CB 1.585 34.122 32.500 0.061 0.000 1.043 816 K HN 0.677 nan 8.250 nan 0.000 0.457 817 C N 2.444 121.748 119.300 0.006 0.000 2.442 817 C HA 0.273 4.731 4.460 -0.004 0.000 0.362 817 C C 1.747 176.703 174.990 -0.058 0.000 1.242 817 C CA -0.309 58.683 59.018 -0.044 0.000 1.741 817 C CB -1.318 26.401 27.740 -0.036 0.000 2.378 817 C HN 0.912 nan 8.230 nan 0.000 0.549 818 A N 3.988 126.749 122.820 -0.099 0.000 1.986 818 A HA -0.109 4.209 4.320 -0.004 0.000 0.220 818 A C 1.227 178.769 177.584 -0.071 0.000 1.171 818 A CA 1.584 53.569 52.037 -0.087 0.000 0.640 818 A CB -0.439 18.481 19.000 -0.133 0.000 0.811 818 A HN 0.922 nan 8.150 nan 0.000 0.451 819 D N -0.108 120.242 120.400 -0.084 0.000 2.342 819 D HA 0.147 4.785 4.640 -0.004 0.000 0.260 819 D C -1.285 174.980 176.300 -0.058 0.000 1.278 819 D CA -1.951 52.003 54.000 -0.077 0.000 0.910 819 D CB 1.015 41.754 40.800 -0.102 0.000 1.079 819 D HN 0.192 nan 8.370 nan 0.000 0.496 820 P HA -0.108 nan 4.420 nan 0.000 0.226 820 P C 0.941 178.217 177.300 -0.039 0.000 1.153 820 P CA 0.816 63.897 63.100 -0.031 0.000 0.777 820 P CB -0.017 31.671 31.700 -0.019 0.000 0.794 821 T N -3.331 111.190 114.554 -0.055 0.000 3.148 821 T HA 0.319 4.667 4.350 -0.004 0.000 0.253 821 T C 0.991 175.634 174.700 -0.095 0.000 1.134 821 T CA -0.146 61.911 62.100 -0.072 0.000 1.051 821 T CB -0.729 68.089 68.868 -0.084 0.000 0.959 821 T HN 0.095 nan 8.240 nan 0.000 0.525 822 A N 1.493 124.266 122.820 -0.078 0.000 2.548 822 A HA 0.425 4.743 4.320 -0.004 0.000 0.247 822 A C 0.600 178.141 177.584 -0.071 0.000 1.067 822 A CA -0.396 51.599 52.037 -0.071 0.000 0.757 822 A CB -0.293 18.679 19.000 -0.047 0.000 0.996 822 A HN 0.472 nan 8.150 nan 0.000 0.504 823 L N 3.285 124.456 121.223 -0.086 0.000 2.821 823 L HA 0.328 4.666 4.340 -0.004 0.000 0.239 823 L C 0.657 177.497 176.870 -0.050 0.000 1.391 823 L CA 1.104 55.881 54.840 -0.105 0.000 1.231 823 L CB -1.223 40.724 42.059 -0.188 0.000 1.598 823 L HN 0.851 nan 8.230 nan 0.000 0.428 824 S N -0.800 114.885 115.700 -0.025 0.000 2.655 824 S HA 0.312 4.780 4.470 -0.004 0.000 0.263 824 S C -0.109 174.495 174.600 0.007 0.000 1.091 824 S CA -0.589 57.610 58.200 -0.001 0.000 0.865 824 S CB 0.526 63.737 63.200 0.019 0.000 1.146 824 S HN 0.257 nan 8.310 nan 0.000 0.482 825 N N 0.359 119.071 118.700 0.020 0.000 2.168 825 N HA 0.178 4.915 4.740 -0.004 0.000 0.216 825 N C -0.760 174.774 175.510 0.039 0.000 1.259 825 N CA 0.053 53.118 53.050 0.025 0.000 0.902 825 N CB 0.538 39.040 38.487 0.024 0.000 1.079 825 N HN 0.615 nan 8.380 nan 0.000 0.507 826 E N 1.636 121.864 120.200 0.047 0.000 2.508 826 E HA -0.046 4.302 4.350 -0.004 0.000 0.266 826 E C 0.694 177.335 176.600 0.068 0.000 1.010 826 E CA 0.546 56.984 56.400 0.063 0.000 0.955 826 E CB 0.496 30.237 29.700 0.069 0.000 0.946 826 E HN 0.204 nan 8.360 nan 0.000 0.454 827 T N -0.600 114.005 114.554 0.085 0.000 2.770 827 T HA 0.456 4.804 4.350 -0.004 0.000 0.281 827 T C 0.386 175.149 174.700 0.105 0.000 0.981 827 T CA -0.720 61.438 62.100 0.098 0.000 0.955 827 T CB 0.536 69.471 68.868 0.112 0.000 1.060 827 T HN 0.335 nan 8.240 nan 0.000 0.531 828 I N 1.171 121.824 120.570 0.139 0.000 2.354 828 I HA 0.425 4.593 4.170 -0.004 0.000 0.286 828 I C 0.822 177.051 176.117 0.186 0.000 1.007 828 I CA -0.892 60.493 61.300 0.142 0.000 1.167 828 I CB 1.141 39.204 38.000 0.105 0.000 1.320 828 I HN 0.913 nan 8.210 nan 0.000 0.458 829 G N 7.770 116.613 108.800 0.071 0.000 2.325 829 G HA2 0.701 4.659 3.960 -0.004 0.000 0.298 829 G HA3 0.701 4.659 3.960 -0.004 0.000 0.298 829 G C -0.563 174.315 174.900 -0.037 0.000 1.134 829 G CA -0.284 44.764 45.100 -0.087 0.000 0.876 829 G HN 0.512 nan 8.290 nan 0.000 0.452 830 I N 1.970 122.556 120.570 0.026 0.000 2.647 830 I HA 0.417 4.584 4.170 -0.004 0.000 0.295 830 I C -0.562 175.589 176.117 0.056 0.000 1.078 830 I CA -0.810 60.565 61.300 0.125 0.000 1.048 830 I CB 2.577 40.791 38.000 0.357 0.000 1.239 830 I HN 0.203 nan 8.210 nan 0.000 0.421 831 I N 4.595 125.158 120.570 -0.010 0.000 2.433 831 I HA 0.393 4.561 4.170 -0.004 0.000 0.292 831 I C -1.203 174.939 176.117 0.042 0.000 1.001 831 I CA -0.494 60.839 61.300 0.056 0.000 1.119 831 I CB 1.859 39.855 38.000 -0.007 0.000 1.289 831 I HN 0.317 nan 8.210 nan 0.000 0.438 832 F N 5.602 125.610 119.950 0.096 0.000 2.426 832 F HA 0.488 5.013 4.527 -0.004 0.000 0.348 832 F C 0.176 176.040 175.800 0.107 0.000 1.124 832 F CA -0.488 57.573 58.000 0.101 0.000 1.008 832 F CB 1.481 40.544 39.000 0.106 0.000 1.139 832 F HN 0.289 nan 8.300 nan 0.000 0.452 833 K N 2.405 122.934 120.400 0.215 0.000 2.375 833 K HA 0.483 4.801 4.320 -0.004 0.000 0.249 833 K C -1.875 174.844 176.600 0.199 0.000 0.942 833 K CA -0.889 55.509 56.287 0.184 0.000 0.806 833 K CB 1.732 34.297 32.500 0.108 0.000 1.227 833 K HN 0.765 nan 8.250 nan 0.000 0.430 834 H N 0.713 119.841 119.070 0.097 0.000 2.600 834 H HA 0.508 5.062 4.556 -0.004 0.000 0.357 834 H C 0.277 175.636 175.328 0.052 0.000 1.106 834 H CA 0.859 56.953 56.048 0.078 0.000 1.193 834 H CB 1.958 31.771 29.762 0.084 0.000 1.594 834 H HN 0.762 nan 8.280 nan 0.000 0.526 835 G N 4.103 112.631 108.800 -0.453 0.000 3.180 835 G HA2 -0.179 3.779 3.960 -0.004 0.000 0.197 835 G HA3 -0.179 3.779 3.960 -0.004 0.000 0.197 835 G C -0.561 174.215 174.900 -0.207 0.000 1.149 835 G CA -0.052 44.901 45.100 -0.244 0.000 0.847 835 G HN 0.613 nan 8.290 nan 0.000 0.469 836 D N 1.811 122.106 120.400 -0.175 0.000 2.175 836 D HA 0.404 5.042 4.640 -0.004 0.000 0.248 836 D C -0.894 175.312 176.300 -0.157 0.000 1.047 836 D CA -0.280 53.594 54.000 -0.210 0.000 0.883 836 D CB 1.781 42.491 40.800 -0.150 0.000 1.180 836 D HN 0.223 nan 8.370 nan 0.000 0.438 837 D N 2.443 122.746 120.400 -0.163 0.000 2.358 837 D HA 0.004 4.642 4.640 -0.004 0.000 0.258 837 D C 0.817 177.097 176.300 -0.033 0.000 1.223 837 D CA -0.122 53.842 54.000 -0.061 0.000 0.886 837 D CB 0.809 41.607 40.800 -0.003 0.000 1.120 837 D HN 0.331 nan 8.370 nan 0.000 0.482 838 L N 4.010 125.225 121.223 -0.013 0.000 2.612 838 L HA 0.098 4.436 4.340 -0.004 0.000 0.230 838 L C 2.304 179.175 176.870 0.001 0.000 1.140 838 L CA -0.015 54.829 54.840 0.008 0.000 0.896 838 L CB 0.063 42.130 42.059 0.014 0.000 1.065 838 L HN 0.288 nan 8.230 nan 0.000 0.447 839 R N -0.399 120.095 120.500 -0.010 0.000 2.119 839 R HA -0.087 4.251 4.340 -0.004 0.000 0.222 839 R C 2.115 178.383 176.300 -0.053 0.000 1.088 839 R CA 0.901 56.978 56.100 -0.038 0.000 0.984 839 R CB 0.069 30.345 30.300 -0.040 0.000 0.884 839 R HN 0.432 nan 8.270 nan 0.000 0.447 840 Q N 0.385 120.173 119.800 -0.019 0.000 2.050 840 Q HA -0.182 4.156 4.340 -0.004 0.000 0.202 840 Q C 1.375 177.352 176.000 -0.038 0.000 0.980 840 Q CA 1.870 57.666 55.803 -0.012 0.000 0.840 840 Q CB -0.031 28.738 28.738 0.052 0.000 0.898 840 Q HN 0.281 nan 8.270 nan 0.000 0.424 841 D N 0.245 120.651 120.400 0.009 0.000 2.092 841 D HA -0.187 4.451 4.640 -0.004 0.000 0.193 841 D C 1.815 178.036 176.300 -0.132 0.000 0.994 841 D CA 1.241 55.235 54.000 -0.010 0.000 0.828 841 D CB -0.097 40.782 40.800 0.131 0.000 0.963 841 D HN 0.144 nan 8.370 nan 0.000 0.450 842 M N -0.277 119.268 119.600 -0.093 0.000 2.163 842 M HA -0.226 4.252 4.480 -0.004 0.000 0.258 842 M C 2.119 178.296 176.300 -0.206 0.000 1.071 842 M CA 1.255 56.474 55.300 -0.134 0.000 1.093 842 M CB -0.435 32.096 32.600 -0.115 0.000 1.285 842 M HN 0.106 nan 8.290 nan 0.000 0.420 843 L N 0.500 121.604 121.223 -0.198 0.000 2.013 843 L HA -0.267 4.071 4.340 -0.004 0.000 0.212 843 L C 2.236 178.978 176.870 -0.214 0.000 1.073 843 L CA 1.741 56.458 54.840 -0.205 0.000 0.753 843 L CB -0.747 41.214 42.059 -0.163 0.000 0.890 843 L HN 0.300 nan 8.230 nan 0.000 0.432 844 I N -1.233 119.185 120.570 -0.254 0.000 2.142 844 I HA -0.272 3.896 4.170 -0.004 0.000 0.240 844 I C 2.330 178.206 176.117 -0.402 0.000 1.078 844 I CA 1.078 62.163 61.300 -0.359 0.000 1.343 844 I CB -1.218 36.397 38.000 -0.641 0.000 1.046 844 I HN 0.203 nan 8.210 nan 0.000 0.405 845 L N 0.253 121.218 121.223 -0.429 0.000 2.127 845 L HA -0.204 4.134 4.340 -0.004 0.000 0.211 845 L C 2.495 179.201 176.870 -0.274 0.000 1.089 845 L CA 1.545 56.158 54.840 -0.378 0.000 0.757 845 L CB -1.665 40.159 42.059 -0.391 0.000 0.899 845 L HN 0.317 nan 8.230 nan 0.000 0.434 846 Q N -0.281 119.371 119.800 -0.247 0.000 2.123 846 Q HA -0.086 4.252 4.340 -0.004 0.000 0.199 846 Q C 2.208 178.095 176.000 -0.188 0.000 0.966 846 Q CA 1.249 56.924 55.803 -0.214 0.000 0.845 846 Q CB -0.177 28.426 28.738 -0.224 0.000 0.907 846 Q HN 0.380 nan 8.270 nan 0.000 0.439 847 I N -0.362 120.102 120.570 -0.176 0.000 2.286 847 I HA -0.243 3.924 4.170 -0.004 0.000 0.248 847 I C 1.528 177.531 176.117 -0.191 0.000 1.115 847 I CA 0.585 61.798 61.300 -0.145 0.000 1.392 847 I CB -0.194 37.750 38.000 -0.093 0.000 1.065 847 I HN 0.206 nan 8.210 nan 0.000 0.418 848 L N -0.048 121.051 121.223 -0.206 0.000 2.017 848 L HA -0.193 4.145 4.340 -0.004 0.000 0.208 848 L C 2.574 179.320 176.870 -0.207 0.000 1.073 848 L CA 1.743 56.451 54.840 -0.220 0.000 0.745 848 L CB -0.904 41.031 42.059 -0.207 0.000 0.894 848 L HN 0.161 nan 8.230 nan 0.000 0.432 849 R N -0.435 119.967 120.500 -0.164 0.000 2.083 849 R HA -0.151 4.186 4.340 -0.004 0.000 0.237 849 R C 2.282 178.536 176.300 -0.078 0.000 1.137 849 R CA 1.671 57.718 56.100 -0.088 0.000 0.951 849 R CB -0.769 29.479 30.300 -0.087 0.000 0.851 849 R HN 0.364 nan 8.270 nan 0.000 0.434 850 I N 0.743 121.222 120.570 -0.152 0.000 2.163 850 I HA -0.337 3.831 4.170 -0.004 0.000 0.243 850 I C 2.641 178.546 176.117 -0.353 0.000 1.085 850 I CA 1.515 62.661 61.300 -0.256 0.000 1.347 850 I CB -0.287 37.568 38.000 -0.242 0.000 1.044 850 I HN 0.185 nan 8.210 nan 0.000 0.408 851 M N 0.226 119.574 119.600 -0.420 0.000 2.065 851 M HA -0.257 4.221 4.480 -0.004 0.000 0.259 851 M C 2.237 178.036 176.300 -0.835 0.000 1.069 851 M CA 1.973 56.821 55.300 -0.753 0.000 1.110 851 M CB -0.353 31.753 32.600 -0.824 0.000 1.328 851 M HN 0.162 nan 8.290 nan 0.000 0.405 852 E N -0.821 119.141 120.200 -0.396 0.000 2.085 852 E HA -0.216 4.132 4.350 -0.004 0.000 0.194 852 E C 2.049 178.625 176.600 -0.041 0.000 0.994 852 E CA 1.592 57.977 56.400 -0.025 0.000 0.801 852 E CB -0.259 29.468 29.700 0.045 0.000 0.743 852 E HN 0.442 nan 8.360 nan 0.000 0.453 853 S N 0.687 116.289 115.700 -0.164 0.000 2.368 853 S HA -0.144 4.324 4.470 -0.004 0.000 0.225 853 S C 2.010 176.485 174.600 -0.208 0.000 1.030 853 S CA 0.810 58.885 58.200 -0.209 0.000 0.999 853 S CB -0.182 62.727 63.200 -0.484 0.000 0.844 853 S HN 0.191 nan 8.310 nan 0.000 0.459 854 I N 0.088 120.452 120.570 -0.344 0.000 2.226 854 I HA -0.147 4.021 4.170 -0.004 0.000 0.245 854 I C 2.030 178.069 176.117 -0.130 0.000 1.100 854 I CA 0.973 62.035 61.300 -0.396 0.000 1.374 854 I CB -0.361 37.261 38.000 -0.629 0.000 1.057 854 I HN 0.445 nan 8.210 nan 0.000 0.413 855 W N 1.112 122.362 121.300 -0.083 0.000 2.465 855 W HA -0.116 4.542 4.660 -0.004 0.000 0.268 855 W C 2.406 178.951 176.519 0.044 0.000 1.242 855 W CA 0.734 58.060 57.345 -0.032 0.000 1.248 855 W CB -0.821 28.601 29.460 -0.064 0.000 1.118 855 W HN 0.314 nan 8.180 nan 0.000 0.587 856 E N 0.362 120.713 120.200 0.252 0.000 2.077 856 E HA -0.210 4.138 4.350 -0.004 0.000 0.193 856 E C 2.212 178.905 176.600 0.155 0.000 0.989 856 E CA 2.369 58.927 56.400 0.263 0.000 0.800 856 E CB 0.001 29.796 29.700 0.159 0.000 0.746 856 E HN 0.206 nan 8.360 nan 0.000 0.452 857 T N -1.043 113.570 114.554 0.097 0.000 2.746 857 T HA -0.109 4.239 4.350 -0.004 0.000 0.267 857 T C 1.438 176.210 174.700 0.120 0.000 1.039 857 T CA 1.027 63.177 62.100 0.084 0.000 1.142 857 T CB -0.165 68.758 68.868 0.092 0.000 0.866 857 T HN 0.075 nan 8.240 nan 0.000 0.444 858 E N 1.541 121.843 120.200 0.170 0.000 2.359 858 E HA 0.203 4.551 4.350 -0.004 0.000 0.187 858 E C -0.277 176.418 176.600 0.159 0.000 1.081 858 E CA -0.122 56.381 56.400 0.172 0.000 0.929 858 E CB -0.144 29.682 29.700 0.211 0.000 1.086 858 E HN 0.517 nan 8.360 nan 0.000 0.462 859 S N 0.595 116.399 115.700 0.173 0.000 3.267 859 S HA -0.193 4.275 4.470 -0.004 0.000 0.389 859 S C -0.305 174.444 174.600 0.247 0.000 0.863 859 S CA 0.545 58.877 58.200 0.219 0.000 1.354 859 S CB -0.902 62.367 63.200 0.115 0.000 1.008 859 S HN 0.327 nan 8.310 nan 0.000 0.602 860 L N 1.885 123.276 121.223 0.281 0.000 2.545 860 L HA 0.562 4.900 4.340 -0.004 0.000 0.258 860 L C -1.047 175.705 176.870 -0.197 0.000 0.942 860 L CA -0.646 54.207 54.840 0.021 0.000 0.855 860 L CB 2.056 44.064 42.059 -0.086 0.000 1.374 860 L HN 0.378 nan 8.230 nan 0.000 0.411 861 D N 3.004 123.165 120.400 -0.400 0.000 2.620 861 D HA 0.287 4.925 4.640 -0.004 0.000 0.252 861 D C -0.315 175.784 176.300 -0.334 0.000 1.207 861 D CA -0.364 53.327 54.000 -0.516 0.000 0.884 861 D CB 2.082 42.380 40.800 -0.836 0.000 1.262 861 D HN 0.312 nan 8.370 nan 0.000 0.552 862 L N 2.590 123.647 121.223 -0.276 0.000 2.640 862 L HA 0.154 4.492 4.340 -0.004 0.000 0.230 862 L C 1.035 177.864 176.870 -0.067 0.000 1.123 862 L CA 0.088 54.795 54.840 -0.222 0.000 0.900 862 L CB -1.138 40.583 42.059 -0.563 0.000 1.146 862 L HN 0.645 nan 8.230 nan 0.000 0.484 863 C N 0.519 119.774 119.300 -0.075 0.000 4.331 863 C HA -0.198 4.260 4.460 -0.004 0.000 0.293 863 C C 1.425 176.473 174.990 0.096 0.000 1.436 863 C CA -0.295 58.719 59.018 -0.006 0.000 1.993 863 C CB -3.003 24.747 27.740 0.017 0.000 1.266 863 C HN 0.341 nan 8.230 nan 0.000 0.795 864 L N -0.497 120.765 121.223 0.065 0.000 2.479 864 L HA 0.284 4.622 4.340 -0.004 0.000 0.270 864 L C 0.499 177.483 176.870 0.191 0.000 1.236 864 L CA 0.076 54.978 54.840 0.103 0.000 0.823 864 L CB 0.122 42.085 42.059 -0.160 0.000 1.098 864 L HN 0.146 nan 8.230 nan 0.000 0.500 865 L N 3.325 124.751 121.223 0.339 0.000 2.488 865 L HA 0.380 4.717 4.340 -0.004 0.000 0.250 865 L C -2.263 174.639 176.870 0.053 0.000 1.280 865 L CA -1.207 53.698 54.840 0.108 0.000 0.929 865 L CB 0.803 42.835 42.059 -0.045 0.000 1.200 865 L HN 0.238 nan 8.230 nan 0.000 0.495 866 P HA 0.148 nan 4.420 nan 0.000 0.244 866 P C -0.964 176.157 177.300 -0.299 0.000 1.769 866 P CA -0.193 62.778 63.100 -0.215 0.000 1.102 866 P CB -0.646 30.953 31.700 -0.167 0.000 1.937 867 Y N 0.097 120.328 120.300 -0.115 0.000 2.652 867 Y HA 0.351 4.899 4.550 -0.004 0.000 0.344 867 Y C 1.168 176.940 175.900 -0.212 0.000 1.254 867 Y CA -1.312 56.670 58.100 -0.196 0.000 1.480 867 Y CB -0.455 37.847 38.460 -0.263 0.000 1.345 867 Y HN 0.271 nan 8.280 nan 0.000 0.617 868 G N 0.773 109.454 108.800 -0.199 0.000 2.380 868 G HA2 0.292 4.250 3.960 -0.004 0.000 0.242 868 G HA3 0.292 4.250 3.960 -0.004 0.000 0.242 868 G C -1.086 173.636 174.900 -0.297 0.000 1.298 868 G CA -0.072 44.837 45.100 -0.318 0.000 0.878 868 G HN 1.121 nan 8.290 nan 0.000 0.542 869 C N 4.344 123.613 119.300 -0.052 0.000 2.752 869 C HA 0.645 5.103 4.460 -0.004 0.000 0.360 869 C C -1.150 173.888 174.990 0.081 0.000 1.081 869 C CA -0.997 58.030 59.018 0.015 0.000 1.272 869 C CB 0.367 28.136 27.740 0.047 0.000 1.754 869 C HN 0.599 nan 8.230 nan 0.000 0.483 870 I N 4.821 125.428 120.570 0.060 0.000 2.499 870 I HA 0.325 4.492 4.170 -0.004 0.000 0.288 870 I C 0.337 176.462 176.117 0.013 0.000 1.048 870 I CA 0.130 61.461 61.300 0.051 0.000 1.062 870 I CB 1.845 39.793 38.000 -0.086 0.000 1.238 870 I HN 0.753 nan 8.210 nan 0.000 0.426 871 S N 3.390 119.131 115.700 0.069 0.000 2.499 871 S HA 0.304 4.771 4.470 -0.004 0.000 0.275 871 S C 1.142 175.812 174.600 0.116 0.000 1.257 871 S CA -0.087 58.152 58.200 0.064 0.000 1.050 871 S CB 0.384 63.616 63.200 0.054 0.000 0.937 871 S HN 0.798 nan 8.310 nan 0.000 0.490 872 T N 1.973 116.593 114.554 0.111 0.000 3.018 872 T HA 0.503 4.851 4.350 -0.004 0.000 0.246 872 T C 0.858 175.661 174.700 0.172 0.000 1.026 872 T CA 0.326 62.540 62.100 0.191 0.000 1.081 872 T CB 0.153 69.126 68.868 0.174 0.000 0.970 872 T HN 0.746 nan 8.240 nan 0.000 0.475 873 G N 0.522 109.402 108.800 0.133 0.000 2.634 873 G HA2 0.444 4.402 3.960 -0.004 0.000 0.309 873 G HA3 0.444 4.402 3.960 -0.004 0.000 0.309 873 G C -2.002 172.959 174.900 0.102 0.000 1.299 873 G CA -0.642 44.530 45.100 0.121 0.000 0.798 873 G HN 0.070 nan 8.290 nan 0.000 0.490 874 D N 1.062 121.526 120.400 0.106 0.000 2.389 874 D HA 0.188 4.826 4.640 -0.004 0.000 0.263 874 D C 0.508 176.844 176.300 0.060 0.000 1.255 874 D CA 0.317 54.370 54.000 0.088 0.000 0.914 874 D CB 0.245 41.108 40.800 0.106 0.000 1.116 874 D HN 0.386 nan 8.370 nan 0.000 0.502 875 K N 2.147 122.540 120.400 -0.012 0.000 3.071 875 K HA -0.202 4.116 4.320 -0.004 0.000 0.265 875 K C -0.363 176.162 176.600 -0.124 0.000 1.060 875 K CA 0.527 56.729 56.287 -0.142 0.000 0.767 875 K CB -1.735 30.563 32.500 -0.337 0.000 1.241 875 K HN 0.643 nan 8.250 nan 0.000 0.486 876 I N -1.794 118.793 120.570 0.027 0.000 2.882 876 I HA 0.583 4.750 4.170 -0.004 0.000 0.298 876 I C -0.004 176.165 176.117 0.086 0.000 1.462 876 I CA -0.126 61.239 61.300 0.109 0.000 1.000 876 I CB 2.355 40.505 38.000 0.250 0.000 1.340 876 I HN 0.246 nan 8.210 nan 0.000 0.462 877 G N 4.864 113.698 108.800 0.057 0.000 2.320 877 G HA2 0.429 4.386 3.960 -0.004 0.000 0.296 877 G HA3 0.429 4.386 3.960 -0.004 0.000 0.296 877 G C -1.660 173.103 174.900 -0.229 0.000 1.306 877 G CA -0.868 44.205 45.100 -0.046 0.000 0.836 877 G HN 0.607 nan 8.290 nan 0.000 0.517 878 M N -0.594 118.794 119.600 -0.354 0.000 2.573 878 M HA 0.880 5.358 4.480 -0.004 0.000 0.309 878 M C -0.593 175.605 176.300 -0.169 0.000 1.202 878 M CA -0.778 54.235 55.300 -0.478 0.000 0.975 878 M CB 1.919 34.157 32.600 -0.602 0.000 1.600 878 M HN 0.370 nan 8.290 nan 0.000 0.479 879 I N -0.017 120.466 120.570 -0.146 0.000 2.656 879 I HA 0.303 4.471 4.170 -0.004 0.000 0.292 879 I C -0.648 175.309 176.117 -0.266 0.000 1.144 879 I CA -0.690 60.521 61.300 -0.147 0.000 1.038 879 I CB 2.424 40.369 38.000 -0.093 0.000 1.244 879 I HN 0.835 nan 8.210 nan 0.000 0.420 880 E N 5.685 125.543 120.200 -0.571 0.000 2.383 880 E HA 0.322 4.670 4.350 -0.004 0.000 0.264 880 E C -1.110 175.303 176.600 -0.313 0.000 1.050 880 E CA -0.268 55.769 56.400 -0.604 0.000 0.896 880 E CB 1.062 30.287 29.700 -0.792 0.000 0.982 880 E HN 0.436 nan 8.360 nan 0.000 0.424 881 I N 4.770 125.209 120.570 -0.218 0.000 2.330 881 I HA 0.125 4.293 4.170 -0.004 0.000 0.289 881 I C -0.496 175.548 176.117 -0.121 0.000 1.001 881 I CA -0.854 60.297 61.300 -0.250 0.000 1.193 881 I CB 1.600 39.341 38.000 -0.430 0.000 1.345 881 I HN 0.334 nan 8.210 nan 0.000 0.461 882 V N 7.442 127.304 119.914 -0.087 0.000 2.470 882 V HA 0.082 4.199 4.120 -0.004 0.000 0.276 882 V C 0.539 176.698 176.094 0.108 0.000 1.040 882 V CA -0.352 61.941 62.300 -0.012 0.000 1.008 882 V CB 0.851 32.628 31.823 -0.076 0.000 0.990 882 V HN 0.612 nan 8.190 nan 0.000 0.477 883 K N 3.257 123.723 120.400 0.110 0.000 2.276 883 K HA 0.143 4.460 4.320 -0.004 0.000 0.259 883 K C 0.404 177.122 176.600 0.196 0.000 1.001 883 K CA 0.147 56.529 56.287 0.159 0.000 0.927 883 K CB 0.079 32.657 32.500 0.129 0.000 0.969 883 K HN 0.749 nan 8.250 nan 0.000 0.490 884 D N -0.401 120.128 120.400 0.215 0.000 2.697 884 D HA -0.220 4.418 4.640 -0.004 0.000 0.235 884 D C -1.163 175.312 176.300 0.292 0.000 1.167 884 D CA 1.326 55.465 54.000 0.231 0.000 0.656 884 D CB -1.092 39.820 40.800 0.186 0.000 1.025 884 D HN 0.510 nan 8.370 nan 0.000 0.419 885 A N -0.077 122.921 122.820 0.296 0.000 2.414 885 A HA 0.814 5.131 4.320 -0.004 0.000 0.306 885 A C 0.134 177.824 177.584 0.177 0.000 1.054 885 A CA -0.402 51.801 52.037 0.277 0.000 0.724 885 A CB 1.982 21.204 19.000 0.369 0.000 1.267 885 A HN 0.026 nan 8.150 nan 0.000 0.418 886 T N 0.369 114.931 114.554 0.014 0.000 2.896 886 T HA 0.617 4.965 4.350 -0.004 0.000 0.297 886 T C 0.125 174.678 174.700 -0.245 0.000 1.108 886 T CA -0.219 61.822 62.100 -0.097 0.000 1.004 886 T CB 1.560 70.345 68.868 -0.137 0.000 1.159 886 T HN 1.049 nan 8.240 nan 0.000 0.499 887 T N 0.823 115.249 114.554 -0.213 0.000 2.919 887 T HA 0.209 4.557 4.350 -0.004 0.000 0.302 887 T C 1.401 175.926 174.700 -0.292 0.000 1.031 887 T CA -0.756 61.196 62.100 -0.247 0.000 1.127 887 T CB -0.054 68.704 68.868 -0.183 0.000 0.952 887 T HN 0.414 nan 8.240 nan 0.000 0.540 888 I N 3.291 123.695 120.570 -0.277 0.000 2.493 888 I HA -0.021 4.146 4.170 -0.004 0.000 0.254 888 I C 2.655 178.625 176.117 -0.246 0.000 1.160 888 I CA 1.325 62.489 61.300 -0.226 0.000 1.445 888 I CB -1.952 36.002 38.000 -0.077 0.000 1.086 888 I HN 0.862 nan 8.210 nan 0.000 0.433 889 A N 0.743 123.405 122.820 -0.263 0.000 1.872 889 A HA -0.194 4.124 4.320 -0.004 0.000 0.214 889 A C 2.326 179.810 177.584 -0.167 0.000 1.187 889 A CA 1.380 53.264 52.037 -0.254 0.000 0.614 889 A CB -0.404 18.457 19.000 -0.231 0.000 0.826 889 A HN 0.185 nan 8.150 nan 0.000 0.442 890 K N 0.225 120.534 120.400 -0.152 0.000 2.152 890 K HA -0.012 4.305 4.320 -0.004 0.000 0.206 890 K C 1.542 178.072 176.600 -0.118 0.000 1.048 890 K CA 1.279 57.501 56.287 -0.109 0.000 0.933 890 K CB -0.513 31.922 32.500 -0.107 0.000 0.721 890 K HN 0.558 nan 8.250 nan 0.000 0.447 891 I N 0.317 120.764 120.570 -0.204 0.000 2.286 891 I HA -0.276 3.892 4.170 -0.004 0.000 0.248 891 I C 2.084 178.133 176.117 -0.112 0.000 1.115 891 I CA 1.074 62.243 61.300 -0.218 0.000 1.392 891 I CB -0.151 37.609 38.000 -0.400 0.000 1.065 891 I HN 0.259 nan 8.210 nan 0.000 0.418 892 Q N 0.254 119.971 119.800 -0.137 0.000 2.269 892 Q HA -0.112 4.226 4.340 -0.004 0.000 0.201 892 Q C 1.863 177.847 176.000 -0.028 0.000 0.946 892 Q CA 0.963 56.701 55.803 -0.109 0.000 0.877 892 Q CB 0.001 28.593 28.738 -0.243 0.000 0.963 892 Q HN 0.619 nan 8.270 nan 0.000 0.472 893 Q N -0.604 119.186 119.800 -0.017 0.000 2.444 893 Q HA 0.073 4.411 4.340 -0.004 0.000 0.206 893 Q C 1.323 177.332 176.000 0.014 0.000 0.948 893 Q CA 0.393 56.212 55.803 0.026 0.000 0.946 893 Q CB 0.503 29.265 28.738 0.041 0.000 1.027 893 Q HN 0.120 nan 8.270 nan 0.000 0.513 894 S N -0.873 114.831 115.700 0.007 0.000 2.641 894 S HA 0.010 4.478 4.470 -0.004 0.000 0.239 894 S C 1.730 176.346 174.600 0.027 0.000 1.081 894 S CA 0.277 58.492 58.200 0.024 0.000 0.904 894 S CB 0.393 63.622 63.200 0.047 0.000 0.803 894 S HN 0.240 nan 8.310 nan 0.000 0.510 895 T N 1.376 115.943 114.554 0.021 0.000 3.088 895 T HA 0.190 4.538 4.350 -0.004 0.000 0.259 895 T C 1.281 175.968 174.700 -0.022 0.000 1.122 895 T CA 0.615 62.722 62.100 0.012 0.000 1.095 895 T CB 0.194 69.066 68.868 0.008 0.000 0.930 895 T HN 0.130 nan 8.240 nan 0.000 0.508 896 V N -0.928 118.972 119.914 -0.025 0.000 3.442 896 V HA 0.648 4.766 4.120 -0.004 0.000 0.205 896 V C 1.003 177.081 176.094 -0.028 0.000 1.320 896 V CA 0.584 62.858 62.300 -0.043 0.000 1.306 896 V CB 0.581 32.365 31.823 -0.064 0.000 1.267 896 V HN 0.539 nan 8.190 nan 0.000 0.538 897 G N 0.437 109.233 108.800 -0.007 0.000 2.369 897 G HA2 -0.009 3.949 3.960 -0.004 0.000 0.293 897 G HA3 -0.009 3.949 3.960 -0.004 0.000 0.293 897 G C -1.350 173.575 174.900 0.041 0.000 1.301 897 G CA -0.311 44.794 45.100 0.008 0.000 0.913 897 G HN 0.089 nan 8.290 nan 0.000 0.540 898 N N 0.961 119.699 118.700 0.063 0.000 2.906 898 N HA 0.230 4.968 4.740 -0.004 0.000 0.282 898 N C 0.269 175.892 175.510 0.188 0.000 1.293 898 N CA 1.000 54.133 53.050 0.138 0.000 1.059 898 N CB 0.651 39.203 38.487 0.108 0.000 1.388 898 N HN 0.738 nan 8.380 nan 0.000 0.533 899 T N -2.806 111.777 114.554 0.047 0.000 2.864 899 T HA 0.521 4.869 4.350 -0.004 0.000 0.289 899 T C 1.101 175.406 174.700 -0.659 0.000 1.082 899 T CA -0.622 61.385 62.100 -0.155 0.000 1.009 899 T CB 1.488 70.270 68.868 -0.143 0.000 1.234 899 T HN 0.109 nan 8.240 nan 0.000 0.526 900 G N 0.442 108.651 108.800 -0.986 0.000 2.920 900 G HA2 0.415 4.373 3.960 -0.004 0.000 0.208 900 G HA3 0.415 4.373 3.960 -0.004 0.000 0.208 900 G C 0.598 174.640 174.900 -1.431 0.000 1.159 900 G CA 0.321 44.588 45.100 -1.388 0.000 0.784 900 G HN 1.027 nan 8.290 nan 0.000 0.535 901 A N 0.780 123.081 122.820 -0.864 0.000 2.410 901 A HA 0.605 4.922 4.320 -0.004 0.000 0.292 901 A C -0.697 176.483 177.584 -0.673 0.000 1.232 901 A CA -0.399 51.207 52.037 -0.717 0.000 0.893 901 A CB -0.466 18.289 19.000 -0.409 0.000 1.131 901 A HN 0.238 nan 8.150 nan 0.000 0.530 902 F N 3.420 122.949 119.950 -0.702 0.000 2.385 902 F HA 0.276 4.801 4.527 -0.003 0.000 0.360 902 F C 0.860 176.164 175.800 -0.826 0.000 1.122 902 F CA -0.927 56.513 58.000 -0.935 0.000 1.090 902 F CB 1.358 39.350 39.000 -1.680 0.000 1.150 902 F HN 0.353 nan 8.300 nan 0.000 0.472 903 K N 2.578 122.799 120.400 -0.298 0.000 2.298 903 K HA 0.080 4.398 4.320 -0.004 0.000 0.280 903 K C 0.076 176.592 176.600 -0.139 0.000 1.032 903 K CA -0.065 56.088 56.287 -0.223 0.000 0.958 903 K CB 1.172 33.545 32.500 -0.212 0.000 0.978 903 K HN 0.581 nan 8.250 nan 0.000 0.472 904 D N 1.876 122.216 120.400 -0.100 0.000 2.234 904 D HA -0.101 4.537 4.640 -0.004 0.000 0.205 904 D C 0.822 176.780 176.300 -0.571 0.000 0.962 904 D CA 1.156 55.095 54.000 -0.101 0.000 0.855 904 D CB 0.290 41.001 40.800 -0.148 0.000 0.951 904 D HN 0.519 nan 8.370 nan 0.000 0.500 905 E N 0.012 119.755 120.200 -0.762 0.000 2.478 905 E HA 0.036 4.384 4.350 -0.004 0.000 0.194 905 E C 1.908 178.270 176.600 -0.396 0.000 1.045 905 E CA -0.051 55.875 56.400 -0.790 0.000 0.868 905 E CB -0.013 29.298 29.700 -0.649 0.000 0.885 905 E HN 0.025 nan 8.360 nan 0.000 0.505 906 V N 1.144 120.882 119.914 -0.293 0.000 2.252 906 V HA -0.309 3.809 4.120 -0.004 0.000 0.249 906 V C 2.196 178.340 176.094 0.083 0.000 1.056 906 V CA 1.806 64.024 62.300 -0.136 0.000 1.022 906 V CB -0.466 31.301 31.823 -0.094 0.000 0.641 906 V HN 0.349 nan 8.190 nan 0.000 0.445 907 L N -0.295 120.996 121.223 0.113 0.000 1.971 907 L HA -0.252 4.086 4.340 -0.004 0.000 0.215 907 L C 2.755 179.810 176.870 0.309 0.000 1.072 907 L CA 2.278 57.232 54.840 0.190 0.000 0.758 907 L CB -0.469 41.690 42.059 0.167 0.000 0.889 907 L HN 0.445 nan 8.230 nan 0.000 0.433 908 S N -1.368 114.533 115.700 0.335 0.000 2.383 908 S HA -0.266 4.202 4.470 -0.004 0.000 0.229 908 S C 1.859 176.737 174.600 0.464 0.000 1.030 908 S CA 1.517 59.967 58.200 0.416 0.000 1.002 908 S CB -0.333 63.192 63.200 0.542 0.000 0.829 908 S HN 0.536 nan 8.310 nan 0.000 0.467 909 H N -1.287 117.926 119.070 0.238 0.000 2.421 909 H HA -0.028 4.526 4.556 -0.004 0.000 0.298 909 H C 1.444 176.874 175.328 0.170 0.000 1.087 909 H CA 1.427 57.570 56.048 0.159 0.000 1.330 909 H CB -0.547 29.287 29.762 0.120 0.000 1.388 909 H HN 0.645 nan 8.280 nan 0.000 0.526 910 W N 0.727 122.144 121.300 0.195 0.000 2.378 910 W HA -0.112 4.546 4.660 -0.004 0.000 0.313 910 W C 1.934 178.529 176.519 0.128 0.000 1.197 910 W CA 1.167 58.587 57.345 0.125 0.000 1.304 910 W CB -0.500 29.019 29.460 0.098 0.000 1.148 910 W HN 0.104 nan 8.180 nan 0.000 0.494 911 L N 0.800 122.265 121.223 0.403 0.000 2.083 911 L HA -0.225 4.112 4.340 -0.004 0.000 0.209 911 L C 2.490 179.475 176.870 0.191 0.000 1.083 911 L CA 1.735 56.726 54.840 0.252 0.000 0.752 911 L CB -0.845 41.457 42.059 0.405 0.000 0.899 911 L HN -0.039 nan 8.230 nan 0.000 0.433 912 K N 1.156 121.672 120.400 0.193 0.000 2.032 912 K HA -0.235 4.083 4.320 -0.004 0.000 0.209 912 K C 1.792 178.259 176.600 -0.222 0.000 1.048 912 K CA 2.015 58.160 56.287 -0.236 0.000 0.927 912 K CB -0.068 32.178 32.500 -0.423 0.000 0.712 912 K HN 0.456 nan 8.250 nan 0.000 0.441 913 E N -0.423 119.665 120.200 -0.186 0.000 2.482 913 E HA -0.051 4.297 4.350 -0.004 0.000 0.196 913 E C 1.349 177.805 176.600 -0.240 0.000 1.047 913 E CA 0.745 57.028 56.400 -0.196 0.000 0.869 913 E CB 0.137 29.741 29.700 -0.158 0.000 0.836 913 E HN 0.040 nan 8.360 nan 0.000 0.520 914 K N 0.238 120.447 120.400 -0.318 0.000 2.186 914 K HA 0.097 4.415 4.320 -0.004 0.000 0.202 914 K C 0.192 176.693 176.600 -0.164 0.000 1.052 914 K CA 0.800 56.870 56.287 -0.363 0.000 0.965 914 K CB 0.259 32.370 32.500 -0.649 0.000 0.746 914 K HN 0.342 nan 8.250 nan 0.000 0.457 915 C N 1.910 121.164 119.300 -0.076 0.000 2.814 915 C HA 0.352 4.810 4.460 -0.004 0.000 0.269 915 C C -1.249 173.730 174.990 -0.018 0.000 1.090 915 C CA -1.782 57.235 59.018 -0.003 0.000 1.492 915 C CB 1.080 28.870 27.740 0.084 0.000 1.825 915 C HN 0.134 nan 8.230 nan 0.000 0.442 916 P HA -0.128 nan 4.420 nan 0.000 0.216 916 P C 0.550 177.818 177.300 -0.053 0.000 1.150 916 P CA 1.081 64.130 63.100 -0.086 0.000 0.837 916 P CB 0.321 31.977 31.700 -0.073 0.000 0.786 917 I N 1.645 122.209 120.570 -0.011 0.000 2.664 917 I HA -0.054 4.114 4.170 -0.004 0.000 0.284 917 I C 1.867 178.015 176.117 0.053 0.000 1.154 917 I CA 0.017 61.324 61.300 0.013 0.000 1.402 917 I CB 0.286 38.298 38.000 0.020 0.000 1.395 917 I HN -0.094 nan 8.210 nan 0.000 0.545 918 E N 5.184 125.411 120.200 0.044 0.000 2.114 918 E HA -0.242 4.106 4.350 -0.004 0.000 0.199 918 E C 1.675 178.354 176.600 0.133 0.000 1.008 918 E CA 1.498 57.955 56.400 0.096 0.000 0.810 918 E CB -0.005 29.730 29.700 0.059 0.000 0.739 918 E HN 0.605 nan 8.360 nan 0.000 0.456 919 E N 0.847 121.095 120.200 0.080 0.000 2.058 919 E HA -0.181 4.167 4.350 -0.004 0.000 0.194 919 E C 2.089 178.731 176.600 0.070 0.000 0.997 919 E CA 1.005 57.443 56.400 0.064 0.000 0.801 919 E CB -0.194 29.529 29.700 0.038 0.000 0.746 919 E HN 0.314 nan 8.360 nan 0.000 0.450 920 K N 0.059 120.506 120.400 0.078 0.000 2.026 920 K HA -0.132 4.186 4.320 -0.004 0.000 0.208 920 K C 2.105 178.766 176.600 0.102 0.000 1.048 920 K CA 1.075 57.408 56.287 0.075 0.000 0.929 920 K CB -0.339 32.204 32.500 0.071 0.000 0.713 920 K HN 0.039 nan 8.250 nan 0.000 0.439 921 F N 2.503 122.451 119.950 -0.003 0.000 2.216 921 F HA -0.193 4.332 4.527 -0.004 0.000 0.300 921 F C 2.232 178.034 175.800 0.003 0.000 1.085 921 F CA 1.391 59.389 58.000 -0.003 0.000 1.326 921 F CB 0.058 39.050 39.000 -0.014 0.000 1.027 921 F HN 0.004 nan 8.300 nan 0.000 0.497 922 Q N 0.059 119.881 119.800 0.037 0.000 2.172 922 Q HA -0.018 4.320 4.340 -0.004 0.000 0.200 922 Q C 2.386 178.335 176.000 -0.085 0.000 0.964 922 Q CA 1.321 57.103 55.803 -0.035 0.000 0.855 922 Q CB -0.771 28.005 28.738 0.064 0.000 0.918 922 Q HN 0.525 nan 8.270 nan 0.000 0.444 923 A N 0.269 123.059 122.820 -0.050 0.000 2.030 923 A HA 0.220 4.538 4.320 -0.004 0.000 0.215 923 A C 2.203 179.751 177.584 -0.059 0.000 1.164 923 A CA 1.057 53.071 52.037 -0.039 0.000 0.697 923 A CB -0.248 18.746 19.000 -0.010 0.000 0.827 923 A HN 0.287 nan 8.150 nan 0.000 0.457 924 A N -0.297 122.468 122.820 -0.091 0.000 1.930 924 A HA 0.049 4.366 4.320 -0.004 0.000 0.217 924 A C 2.098 179.602 177.584 -0.134 0.000 1.175 924 A CA 1.681 53.673 52.037 -0.074 0.000 0.627 924 A CB -0.681 18.286 19.000 -0.054 0.000 0.815 924 A HN 0.336 nan 8.150 nan 0.000 0.443 925 V N -0.107 119.605 119.914 -0.335 0.000 2.453 925 V HA -0.207 3.911 4.120 -0.004 0.000 0.247 925 V C 2.421 178.389 176.094 -0.209 0.000 1.048 925 V CA 2.098 64.171 62.300 -0.377 0.000 1.049 925 V CB -0.577 30.873 31.823 -0.622 0.000 0.672 925 V HN 0.768 nan 8.190 nan 0.000 0.457 926 E N -0.132 119.976 120.200 -0.153 0.000 2.152 926 E HA -0.174 4.174 4.350 -0.004 0.000 0.192 926 E C 2.468 179.146 176.600 0.130 0.000 0.983 926 E CA 0.486 56.881 56.400 -0.008 0.000 0.818 926 E CB 0.056 29.774 29.700 0.030 0.000 0.758 926 E HN 0.315 nan 8.360 nan 0.000 0.467 927 R N 0.007 120.554 120.500 0.078 0.000 2.073 927 R HA -0.148 4.190 4.340 -0.004 0.000 0.234 927 R C 2.199 178.590 176.300 0.152 0.000 1.134 927 R CA 1.252 57.414 56.100 0.103 0.000 0.952 927 R CB -0.911 29.435 30.300 0.076 0.000 0.850 927 R HN 0.281 nan 8.270 nan 0.000 0.433 928 F N 1.191 121.135 119.950 -0.010 0.000 2.069 928 F HA -0.268 4.257 4.527 -0.004 0.000 0.298 928 F C 2.340 178.133 175.800 -0.010 0.000 1.113 928 F CA 1.562 59.537 58.000 -0.042 0.000 1.214 928 F CB -0.346 38.591 39.000 -0.105 0.000 0.978 928 F HN -0.248 nan 8.300 nan 0.000 0.474 929 V N -0.716 119.345 119.914 0.245 0.000 2.324 929 V HA -0.371 3.747 4.120 -0.004 0.000 0.250 929 V C 1.999 178.126 176.094 0.055 0.000 1.060 929 V CA 2.291 64.689 62.300 0.164 0.000 1.042 929 V CB -1.120 30.762 31.823 0.099 0.000 0.650 929 V HN 0.403 nan 8.190 nan 0.000 0.450 930 Y N 0.987 121.293 120.300 0.011 0.000 2.231 930 Y HA -0.158 4.390 4.550 -0.003 0.000 0.294 930 Y C 2.929 178.785 175.900 -0.074 0.000 1.120 930 Y CA 1.551 59.616 58.100 -0.058 0.000 1.141 930 Y CB -0.546 37.857 38.460 -0.095 0.000 1.022 930 Y HN 0.366 nan 8.280 nan 0.000 0.523 931 S N -1.042 114.716 115.700 0.096 0.000 2.359 931 S HA -0.304 4.164 4.470 -0.004 0.000 0.224 931 S C 2.215 176.833 174.600 0.029 0.000 1.035 931 S CA 1.260 59.508 58.200 0.080 0.000 1.018 931 S CB -1.464 61.765 63.200 0.048 0.000 0.876 931 S HN 0.607 nan 8.310 nan 0.000 0.448 932 C N 2.370 121.539 119.300 -0.218 0.000 2.413 932 C HA 0.054 4.512 4.460 -0.004 0.000 0.277 932 C C 3.180 178.239 174.990 0.116 0.000 1.228 932 C CA 1.206 60.081 59.018 -0.238 0.000 1.731 932 C CB -1.818 25.603 27.740 -0.532 0.000 2.042 932 C HN 0.709 nan 8.230 nan 0.000 0.468 933 A N 0.511 123.438 122.820 0.179 0.000 1.865 933 A HA 0.055 4.373 4.320 -0.004 0.000 0.217 933 A C 2.539 180.051 177.584 -0.120 0.000 1.191 933 A CA 2.404 54.441 52.037 -0.000 0.000 0.623 933 A CB -1.710 17.093 19.000 -0.329 0.000 0.826 933 A HN 0.768 nan 8.150 nan 0.000 0.444 934 G N -1.582 107.133 108.800 -0.142 0.000 2.529 934 G HA2 -0.306 3.652 3.960 -0.004 0.000 0.219 934 G HA3 -0.306 3.652 3.960 -0.004 0.000 0.219 934 G C 1.489 176.344 174.900 -0.076 0.000 1.177 934 G CA 1.419 46.400 45.100 -0.197 0.000 0.773 934 G HN 0.563 nan 8.290 nan 0.000 0.573 935 Y N 0.047 120.342 120.300 -0.008 0.000 2.293 935 Y HA -0.092 4.456 4.550 -0.004 0.000 0.291 935 Y C 3.172 179.062 175.900 -0.017 0.000 1.137 935 Y CA 0.721 58.795 58.100 -0.042 0.000 1.202 935 Y CB -0.489 37.859 38.460 -0.188 0.000 0.990 935 Y HN 0.239 nan 8.280 nan 0.000 0.537 936 C N -1.038 118.318 119.300 0.094 0.000 2.413 936 C HA -0.176 4.282 4.460 -0.004 0.000 0.276 936 C C 2.734 177.750 174.990 0.044 0.000 1.236 936 C CA 1.199 60.167 59.018 -0.084 0.000 1.735 936 C CB -1.133 26.365 27.740 -0.405 0.000 2.031 936 C HN 0.363 nan 8.230 nan 0.000 0.474 937 V N 1.248 121.242 119.914 0.134 0.000 2.307 937 V HA -0.164 3.954 4.120 -0.004 0.000 0.245 937 V C 2.694 179.022 176.094 0.390 0.000 1.045 937 V CA 2.208 64.706 62.300 0.331 0.000 1.024 937 V CB -1.405 30.519 31.823 0.168 0.000 0.651 937 V HN 0.589 nan 8.190 nan 0.000 0.449 938 A N -0.598 122.389 122.820 0.277 0.000 1.902 938 A HA -0.255 4.063 4.320 -0.004 0.000 0.217 938 A C 2.456 180.178 177.584 0.230 0.000 1.181 938 A CA 2.546 54.695 52.037 0.187 0.000 0.623 938 A CB -1.029 18.001 19.000 0.050 0.000 0.818 938 A HN 0.454 nan 8.150 nan 0.000 0.443 939 T N -1.685 113.036 114.554 0.278 0.000 2.867 939 T HA -0.111 4.237 4.350 -0.004 0.000 0.268 939 T C 1.527 176.510 174.700 0.472 0.000 1.057 939 T CA 1.614 63.932 62.100 0.364 0.000 1.136 939 T CB -0.424 68.666 68.868 0.370 0.000 0.874 939 T HN 0.433 nan 8.240 nan 0.000 0.466 940 F N 1.626 121.814 119.950 0.397 0.000 2.074 940 F HA 0.026 4.551 4.527 -0.004 0.000 0.293 940 F C 2.209 178.265 175.800 0.426 0.000 1.116 940 F CA 0.939 59.226 58.000 0.478 0.000 1.212 940 F CB -0.918 38.450 39.000 0.613 0.000 0.998 940 F HN -0.027 nan 8.300 nan 0.000 0.471 941 V N 1.262 121.244 119.914 0.114 0.000 2.380 941 V HA -0.317 3.801 4.120 -0.004 0.000 0.251 941 V C 2.489 178.562 176.094 -0.036 0.000 1.063 941 V CA 2.034 64.281 62.300 -0.088 0.000 1.055 941 V CB -0.964 30.888 31.823 0.049 0.000 0.657 941 V HN 0.399 nan 8.190 nan 0.000 0.455 942 L N 0.370 121.655 121.223 0.104 0.000 2.552 942 L HA 0.200 4.537 4.340 -0.004 0.000 0.227 942 L C 1.661 178.651 176.870 0.200 0.000 1.146 942 L CA 0.814 55.751 54.840 0.161 0.000 0.858 942 L CB -0.705 41.478 42.059 0.208 0.000 0.969 942 L HN 0.582 nan 8.230 nan 0.000 0.451 943 G N 1.750 110.664 108.800 0.190 0.000 2.246 943 G HA2 -0.285 3.673 3.960 -0.004 0.000 0.273 943 G HA3 -0.285 3.673 3.960 -0.004 0.000 0.273 943 G C 0.459 175.402 174.900 0.072 0.000 1.055 943 G CA 0.511 45.578 45.100 -0.055 0.000 0.851 943 G HN 0.614 nan 8.290 nan 0.000 0.500 944 I N -4.323 116.393 120.570 0.243 0.000 3.114 944 I HA 0.526 4.694 4.170 -0.004 0.000 0.326 944 I C 1.181 177.518 176.117 0.366 0.000 1.510 944 I CA -0.058 61.413 61.300 0.284 0.000 0.918 944 I CB 0.255 38.461 38.000 0.343 0.000 1.561 944 I HN 0.035 nan 8.210 nan 0.000 0.565 945 G N 0.422 109.465 108.800 0.406 0.000 2.712 945 G HA2 -0.089 3.869 3.960 -0.004 0.000 0.212 945 G HA3 -0.089 3.869 3.960 -0.004 0.000 0.212 945 G C 0.219 175.360 174.900 0.400 0.000 1.142 945 G CA 0.328 45.721 45.100 0.489 0.000 0.789 945 G HN 0.415 nan 8.290 nan 0.000 0.535 946 D N 0.941 121.538 120.400 0.328 0.000 2.467 946 D HA 0.283 4.920 4.640 -0.004 0.000 0.220 946 D C 0.379 176.847 176.300 0.279 0.000 1.103 946 D CA -0.388 53.821 54.000 0.348 0.000 0.886 946 D CB 0.196 41.228 40.800 0.386 0.000 1.025 946 D HN 0.368 nan 8.370 nan 0.000 0.514 947 R N 1.834 122.381 120.500 0.078 0.000 2.817 947 R HA 0.388 4.726 4.340 -0.004 0.000 0.268 947 R C -0.035 175.945 176.300 -0.533 0.000 1.027 947 R CA -0.919 54.937 56.100 -0.407 0.000 0.928 947 R CB 0.725 30.839 30.300 -0.310 0.000 1.228 947 R HN 0.201 nan 8.270 nan 0.000 0.469 948 H N 0.645 119.141 119.070 -0.956 0.000 2.830 948 H HA 0.042 4.596 4.556 -0.004 0.000 0.382 948 H C 0.667 175.846 175.328 -0.247 0.000 1.423 948 H CA 0.895 56.650 56.048 -0.489 0.000 1.464 948 H CB 0.627 30.157 29.762 -0.386 0.000 1.495 948 H HN 0.703 nan 8.280 nan 0.000 0.617 949 N N -0.006 118.226 118.700 -0.780 0.000 2.270 949 N HA -0.158 4.580 4.740 -0.004 0.000 0.181 949 N C 0.691 175.910 175.510 -0.485 0.000 1.016 949 N CA 0.707 53.407 53.050 -0.583 0.000 0.870 949 N CB 0.096 38.194 38.487 -0.648 0.000 0.979 949 N HN 0.585 nan 8.380 nan 0.000 0.431 950 D N 0.344 120.435 120.400 -0.514 0.000 2.269 950 D HA 0.005 4.643 4.640 -0.004 0.000 0.208 950 D C 0.511 176.672 176.300 -0.232 0.000 0.963 950 D CA 0.825 54.670 54.000 -0.258 0.000 0.864 950 D CB -0.089 40.664 40.800 -0.077 0.000 0.936 950 D HN 0.239 nan 8.370 nan 0.000 0.505 951 N N -0.543 117.995 118.700 -0.270 0.000 2.362 951 N HA 0.151 4.889 4.740 -0.004 0.000 0.211 951 N C -0.483 174.793 175.510 -0.390 0.000 1.170 951 N CA -0.011 52.860 53.050 -0.299 0.000 0.828 951 N CB 0.748 39.040 38.487 -0.326 0.000 1.034 951 N HN 0.192 nan 8.380 nan 0.000 0.475 952 I N 0.774 121.116 120.570 -0.381 0.000 2.619 952 I HA 0.385 4.553 4.170 -0.004 0.000 0.292 952 I C -0.623 175.236 176.117 -0.431 0.000 1.100 952 I CA -0.600 60.446 61.300 -0.423 0.000 1.043 952 I CB 2.069 39.854 38.000 -0.358 0.000 1.239 952 I HN -0.162 nan 8.210 nan 0.000 0.420 953 M N 5.665 124.870 119.600 -0.658 0.000 2.691 953 M HA 0.626 5.104 4.480 -0.004 0.000 0.293 953 M C -1.324 174.542 176.300 -0.723 0.000 1.259 953 M CA -0.938 53.887 55.300 -0.791 0.000 0.827 953 M CB 3.337 35.239 32.600 -1.163 0.000 1.753 953 M HN 0.334 nan 8.290 nan 0.000 0.465 954 I N 1.059 121.353 120.570 -0.460 0.000 2.752 954 I HA 0.467 4.635 4.170 -0.004 0.000 0.295 954 I C -0.979 175.160 176.117 0.037 0.000 1.219 954 I CA -0.139 61.058 61.300 -0.170 0.000 1.030 954 I CB 2.485 40.425 38.000 -0.099 0.000 1.259 954 I HN 0.895 nan 8.210 nan 0.000 0.423 955 S N 4.636 120.479 115.700 0.240 0.000 2.718 955 S HA 0.454 4.922 4.470 -0.004 0.000 0.300 955 S C 0.546 175.406 174.600 0.433 0.000 1.117 955 S CA -0.546 57.860 58.200 0.343 0.000 1.002 955 S CB 1.643 65.033 63.200 0.316 0.000 1.092 955 S HN 0.641 nan 8.310 nan 0.000 0.542 956 E N 0.307 120.742 120.200 0.392 0.000 2.515 956 E HA -0.039 4.309 4.350 -0.004 0.000 0.201 956 E C 0.659 177.364 176.600 0.175 0.000 1.071 956 E CA 1.090 57.641 56.400 0.252 0.000 0.880 956 E CB -0.351 29.418 29.700 0.116 0.000 0.828 956 E HN 0.849 nan 8.360 nan 0.000 0.540 957 T N -3.358 111.311 114.554 0.192 0.000 3.069 957 T HA 0.302 4.650 4.350 -0.004 0.000 0.252 957 T C 1.372 176.157 174.700 0.141 0.000 1.053 957 T CA 0.165 62.345 62.100 0.134 0.000 0.964 957 T CB 0.966 69.899 68.868 0.108 0.000 1.005 957 T HN 0.201 nan 8.240 nan 0.000 0.532 958 G N 1.721 110.648 108.800 0.211 0.000 2.141 958 G HA2 -0.227 3.731 3.960 -0.004 0.000 0.231 958 G HA3 -0.227 3.731 3.960 -0.004 0.000 0.231 958 G C -0.136 174.900 174.900 0.227 0.000 0.984 958 G CA -0.341 44.898 45.100 0.232 0.000 0.660 958 G HN 0.584 nan 8.290 nan 0.000 0.525 959 N N 0.260 119.079 118.700 0.199 0.000 2.434 959 N HA 0.533 5.271 4.740 -0.004 0.000 0.272 959 N C -0.267 175.325 175.510 0.137 0.000 1.040 959 N CA -0.315 52.836 53.050 0.169 0.000 0.956 959 N CB 1.257 39.868 38.487 0.206 0.000 1.108 959 N HN 0.355 nan 8.380 nan 0.000 0.481 960 L N 4.940 126.136 121.223 -0.044 0.000 2.309 960 L HA 0.654 4.992 4.340 -0.004 0.000 0.282 960 L C -1.168 175.604 176.870 -0.164 0.000 1.036 960 L CA -0.546 54.143 54.840 -0.252 0.000 0.806 960 L CB 0.534 42.199 42.059 -0.657 0.000 1.220 960 L HN 0.471 nan 8.230 nan 0.000 0.429 961 F N 1.340 121.048 119.950 -0.404 0.000 2.615 961 F HA 0.505 5.030 4.527 -0.003 0.000 0.312 961 F C -0.709 174.809 175.800 -0.469 0.000 1.119 961 F CA -0.896 56.601 58.000 -0.839 0.000 0.979 961 F CB 0.590 39.449 39.000 -0.235 0.000 1.266 961 F HN 0.514 nan 8.300 nan 0.000 0.444 962 H N 2.788 121.499 119.070 -0.598 0.000 2.597 962 H HA 0.775 5.329 4.556 -0.004 0.000 0.370 962 H C -0.041 175.398 175.328 0.184 0.000 1.281 962 H CA 0.070 56.025 56.048 -0.154 0.000 1.422 962 H CB 1.863 31.613 29.762 -0.021 0.000 1.524 962 H HN 0.792 nan 8.280 nan 0.000 0.607 963 I N -2.906 117.653 120.570 -0.018 0.000 3.464 963 I HA 0.248 4.416 4.170 -0.004 0.000 0.317 963 I C -0.896 175.076 176.117 -0.241 0.000 1.229 963 I CA -1.183 60.181 61.300 0.108 0.000 0.926 963 I CB 1.500 39.541 38.000 0.070 0.000 1.341 963 I HN 0.527 nan 8.210 nan 0.000 0.479 964 D N 0.876 121.299 120.400 0.038 0.000 3.060 964 D HA -0.250 4.388 4.640 -0.004 0.000 0.209 964 D C -0.646 175.618 176.300 -0.061 0.000 1.232 964 D CA 0.888 54.896 54.000 0.014 0.000 0.841 964 D CB -0.771 39.996 40.800 -0.056 0.000 0.863 964 D HN 0.521 nan 8.370 nan 0.000 0.389 965 F N 1.057 121.070 119.950 0.104 0.000 2.701 965 F HA 0.354 4.879 4.527 -0.004 0.000 0.295 965 F C 2.244 178.068 175.800 0.041 0.000 1.165 965 F CA 0.017 58.069 58.000 0.087 0.000 1.399 965 F CB 0.141 39.205 39.000 0.106 0.000 0.996 965 F HN 0.369 nan 8.300 nan 0.000 0.513 966 G N -0.102 108.764 108.800 0.111 0.000 2.721 966 G HA2 -0.237 3.721 3.960 -0.004 0.000 0.218 966 G HA3 -0.237 3.721 3.960 -0.004 0.000 0.218 966 G C 0.084 174.980 174.900 -0.007 0.000 1.265 966 G CA 0.624 45.702 45.100 -0.037 0.000 0.796 966 G HN 0.456 nan 8.290 nan 0.000 0.620 967 H N -1.404 117.696 119.070 0.049 0.000 2.646 967 H HA 0.693 5.247 4.556 -0.003 0.000 0.328 967 H C -0.583 174.772 175.328 0.045 0.000 0.998 967 H CA -0.657 55.416 56.048 0.043 0.000 1.225 967 H CB 1.935 31.710 29.762 0.021 0.000 1.457 967 H HN 0.329 nan 8.280 nan 0.000 0.505 980 K N 0.996 121.375 120.400 -0.035 0.000 2.809 980 K HA 0.350 4.668 4.320 -0.004 0.000 0.293 980 K C -1.311 175.257 176.600 -0.054 0.000 1.061 980 K CA -0.893 55.357 56.287 -0.061 0.000 0.837 980 K CB 0.762 33.203 32.500 -0.098 0.000 1.524 980 K HN 0.030 nan 8.250 nan 0.000 0.370 981 E N 1.236 121.392 120.200 -0.075 0.000 2.366 981 E HA 0.321 4.669 4.350 -0.004 0.000 0.266 981 E C -0.630 175.932 176.600 -0.063 0.000 1.051 981 E CA -0.169 56.195 56.400 -0.060 0.000 0.884 981 E CB 1.190 30.856 29.700 -0.057 0.000 1.006 981 E HN 0.426 nan 8.360 nan 0.000 0.417 982 R N 0.063 120.546 120.500 -0.028 0.000 2.817 982 R HA 0.668 5.006 4.340 -0.004 0.000 0.268 982 R C -1.296 175.005 176.300 0.002 0.000 1.027 982 R CA -0.868 55.236 56.100 0.007 0.000 0.928 982 R CB 2.198 32.520 30.300 0.036 0.000 1.228 982 R HN 0.299 nan 8.270 nan 0.000 0.469 983 V N 2.267 122.199 119.914 0.031 0.000 2.932 983 V HA 0.382 4.500 4.120 -0.004 0.000 0.307 983 V C -1.912 174.154 176.094 -0.048 0.000 1.147 983 V CA -1.989 60.284 62.300 -0.044 0.000 0.951 983 V CB 2.425 34.238 31.823 -0.017 0.000 1.031 983 V HN 0.711 nan 8.190 nan 0.000 0.426 984 P HA -0.018 nan 4.420 nan 0.000 0.215 984 P C -0.071 177.213 177.300 -0.027 0.000 1.157 984 P CA 1.576 64.513 63.100 -0.271 0.000 0.863 984 P CB 0.043 31.180 31.700 -0.938 0.000 0.787 985 F N -3.535 116.484 119.950 0.115 0.000 2.686 985 F HA 0.525 5.050 4.527 -0.003 0.000 0.311 985 F C -0.938 174.968 175.800 0.177 0.000 1.128 985 F CA -2.107 56.019 58.000 0.209 0.000 0.946 985 F CB 0.454 39.592 39.000 0.229 0.000 1.336 985 F HN -0.448 nan 8.300 nan 0.000 0.457 986 V N 2.608 122.831 119.914 0.515 0.000 2.405 986 V HA 0.315 4.433 4.120 -0.004 0.000 0.264 986 V C -0.406 175.910 176.094 0.370 0.000 1.048 986 V CA 0.049 62.543 62.300 0.324 0.000 0.966 986 V CB 0.686 32.655 31.823 0.244 0.000 1.015 986 V HN 0.660 nan 8.190 nan 0.000 0.477 987 L N 6.597 127.931 121.223 0.186 0.000 2.669 987 L HA 0.381 4.719 4.340 -0.004 0.000 0.273 987 L C 0.744 177.506 176.870 -0.180 0.000 1.441 987 L CA 0.029 54.973 54.840 0.174 0.000 0.745 987 L CB 0.824 43.087 42.059 0.341 0.000 1.044 987 L HN 0.749 nan 8.230 nan 0.000 0.523 988 T N -1.201 113.000 114.554 -0.590 0.000 2.795 988 T HA 0.194 4.542 4.350 -0.004 0.000 0.314 988 T C -1.668 172.560 174.700 -0.786 0.000 1.069 988 T CA -0.765 60.809 62.100 -0.877 0.000 1.071 988 T CB 0.221 68.411 68.868 -1.129 0.000 0.988 988 T HN 0.206 nan 8.240 nan 0.000 0.543 989 P HA -0.145 nan 4.420 nan 0.000 0.216 989 P C 1.360 178.570 177.300 -0.150 0.000 1.153 989 P CA 1.351 64.094 63.100 -0.594 0.000 0.858 989 P CB -0.097 31.132 31.700 -0.784 0.000 0.789 990 D N -1.593 118.763 120.400 -0.074 0.000 2.263 990 D HA -0.175 4.463 4.640 -0.004 0.000 0.208 990 D C 1.588 178.107 176.300 0.365 0.000 0.971 990 D CA 1.158 55.306 54.000 0.246 0.000 0.867 990 D CB -1.117 39.911 40.800 0.380 0.000 0.929 990 D HN 0.111 nan 8.370 nan 0.000 0.492 991 F N 0.946 120.938 119.950 0.071 0.000 2.074 991 F HA 0.156 4.681 4.527 -0.003 0.000 0.290 991 F C 2.550 178.392 175.800 0.070 0.000 1.118 991 F CA -0.039 58.060 58.000 0.165 0.000 1.199 991 F CB -1.226 37.912 39.000 0.230 0.000 1.012 991 F HN -0.084 nan 8.300 nan 0.000 0.472 992 L N -0.989 120.353 121.223 0.199 0.000 2.089 992 L HA -0.294 4.044 4.340 -0.004 0.000 0.213 992 L C 2.460 179.366 176.870 0.060 0.000 1.079 992 L CA 1.447 56.314 54.840 0.046 0.000 0.758 992 L CB -0.928 41.073 42.059 -0.096 0.000 0.891 992 L HN 0.033 nan 8.230 nan 0.000 0.433 993 F N 0.526 120.465 119.950 -0.018 0.000 2.065 993 F HA -0.237 4.288 4.527 -0.004 0.000 0.298 993 F C 2.269 178.074 175.800 0.008 0.000 1.112 993 F CA 1.829 59.829 58.000 0.000 0.000 1.212 993 F CB -0.364 38.659 39.000 0.039 0.000 0.975 993 F HN -0.237 nan 8.300 nan 0.000 0.476 994 V N 0.790 120.740 119.914 0.061 0.000 2.982 994 V HA -0.301 3.817 4.120 -0.004 0.000 0.265 994 V C 1.891 177.903 176.094 -0.137 0.000 1.122 994 V CA 1.849 64.074 62.300 -0.125 0.000 1.143 994 V CB -0.987 30.587 31.823 -0.415 0.000 0.726 994 V HN 0.443 nan 8.190 nan 0.000 0.507 995 M N -0.816 118.761 119.600 -0.038 0.000 2.428 995 M HA 0.365 4.843 4.480 -0.004 0.000 0.239 995 M C 1.682 178.057 176.300 0.126 0.000 1.121 995 M CA 0.943 56.299 55.300 0.094 0.000 1.019 995 M CB 0.855 33.564 32.600 0.183 0.000 1.485 995 M HN 0.440 nan 8.290 nan 0.000 0.484 996 G N 0.138 108.908 108.800 -0.050 0.000 2.436 996 G HA2 -0.187 3.771 3.960 -0.004 0.000 0.204 996 G HA3 -0.187 3.771 3.960 -0.004 0.000 0.204 996 G C 0.409 175.217 174.900 -0.152 0.000 1.026 996 G CA -0.234 44.814 45.100 -0.088 0.000 0.658 996 G HN 0.326 nan 8.290 nan 0.000 0.499 997 T N 2.612 117.073 114.554 -0.154 0.000 3.121 997 T HA 0.396 4.744 4.350 -0.004 0.000 0.256 997 T C 1.391 176.019 174.700 -0.120 0.000 0.942 997 T CA 1.031 62.996 62.100 -0.225 0.000 1.158 997 T CB 1.008 69.573 68.868 -0.503 0.000 0.963 997 T HN 0.400 nan 8.240 nan 0.000 0.660 998 S N 2.203 117.858 115.700 -0.075 0.000 2.515 998 S HA 0.130 4.598 4.470 -0.004 0.000 0.231 998 S C 1.448 176.125 174.600 0.129 0.000 0.987 998 S CA 1.012 59.278 58.200 0.110 0.000 0.936 998 S CB 0.030 63.281 63.200 0.086 0.000 0.766 998 S HN 0.865 nan 8.310 nan 0.000 0.528 999 G N 0.197 109.000 108.800 0.005 0.000 3.341 999 G HA2 0.345 4.303 3.960 -0.004 0.000 0.186 999 G HA3 0.345 4.303 3.960 -0.004 0.000 0.186 999 G C -0.571 174.275 174.900 -0.089 0.000 1.430 999 G CA -0.342 44.748 45.100 -0.017 0.000 0.961 999 G HN 0.171 nan 8.290 nan 0.000 0.767 1000 K N 1.294 121.640 120.400 -0.090 0.000 2.676 1000 K HA 0.239 4.557 4.320 -0.004 0.000 0.205 1000 K C -0.035 176.497 176.600 -0.112 0.000 1.084 1000 K CA -0.130 56.088 56.287 -0.115 0.000 1.057 1000 K CB 1.085 33.543 32.500 -0.070 0.000 0.791 1000 K HN 0.623 nan 8.250 nan 0.000 0.484 1001 K N -0.326 119.998 120.400 -0.128 0.000 2.185 1001 K HA 0.378 4.696 4.320 -0.004 0.000 0.240 1001 K C 0.017 176.548 176.600 -0.116 0.000 0.983 1001 K CA -0.598 55.641 56.287 -0.080 0.000 0.873 1001 K CB 1.392 33.866 32.500 -0.044 0.000 1.118 1001 K HN -0.198 nan 8.250 nan 0.000 0.441 1002 T N -0.263 114.307 114.554 0.026 0.000 2.813 1002 T HA 0.162 4.510 4.350 -0.004 0.000 0.297 1002 T C -0.258 174.527 174.700 0.142 0.000 1.036 1002 T CA -0.050 62.168 62.100 0.196 0.000 1.044 1002 T CB 0.630 69.643 68.868 0.241 0.000 0.993 1002 T HN 0.680 nan 8.240 nan 0.000 0.535 1003 S N 1.213 117.084 115.700 0.285 0.000 2.776 1003 S HA 0.491 4.959 4.470 -0.004 0.000 0.292 1003 S C 0.353 175.032 174.600 0.132 0.000 1.187 1003 S CA -0.554 57.738 58.200 0.153 0.000 0.834 1003 S CB 0.949 64.221 63.200 0.119 0.000 1.199 1003 S HN 0.634 nan 8.310 nan 0.000 0.514 1004 L N 1.876 123.109 121.223 0.015 0.000 1.993 1004 L HA 0.211 4.548 4.340 -0.004 0.000 0.206 1004 L C 2.192 179.036 176.870 -0.043 0.000 1.074 1004 L CA 2.138 56.928 54.840 -0.083 0.000 0.746 1004 L CB -1.255 40.651 42.059 -0.255 0.000 0.896 1004 L HN 0.842 nan 8.230 nan 0.000 0.435 1005 H N -1.274 117.847 119.070 0.086 0.000 2.389 1005 H HA -0.157 4.397 4.556 -0.003 0.000 0.299 1005 H C 2.077 177.490 175.328 0.141 0.000 1.081 1005 H CA 1.738 57.839 56.048 0.088 0.000 1.345 1005 H CB -0.562 29.243 29.762 0.071 0.000 1.393 1005 H HN 0.432 nan 8.280 nan 0.000 0.520 1006 F N 2.110 122.149 119.950 0.148 0.000 2.126 1006 F HA -0.196 4.329 4.527 -0.004 0.000 0.299 1006 F C 2.424 178.328 175.800 0.174 0.000 1.096 1006 F CA 1.446 59.526 58.000 0.134 0.000 1.255 1006 F CB -0.262 38.779 39.000 0.068 0.000 0.997 1006 F HN 0.047 nan 8.300 nan 0.000 0.479 1007 Q N -0.296 119.490 119.800 -0.022 0.000 2.167 1007 Q HA -0.226 4.112 4.340 -0.004 0.000 0.202 1007 Q C 2.136 178.065 176.000 -0.118 0.000 0.970 1007 Q CA 1.461 57.183 55.803 -0.135 0.000 0.855 1007 Q CB -0.163 28.564 28.738 -0.018 0.000 0.911 1007 Q HN 0.185 nan 8.270 nan 0.000 0.438 1008 K N 0.591 120.973 120.400 -0.029 0.000 2.097 1008 K HA -0.158 4.160 4.320 -0.004 0.000 0.206 1008 K C 1.516 178.038 176.600 -0.130 0.000 1.049 1008 K CA 0.994 57.251 56.287 -0.051 0.000 0.933 1008 K CB -0.477 32.046 32.500 0.039 0.000 0.717 1008 K HN 0.130 nan 8.250 nan 0.000 0.442 1009 F N 1.696 121.506 119.950 -0.233 0.000 2.026 1009 F HA -0.233 4.292 4.527 -0.004 0.000 0.296 1009 F C 1.907 177.539 175.800 -0.280 0.000 1.133 1009 F CA 2.034 59.878 58.000 -0.260 0.000 1.188 1009 F CB -0.604 38.293 39.000 -0.171 0.000 0.968 1009 F HN 0.132 nan 8.300 nan 0.000 0.476 1010 Q N -0.477 119.101 119.800 -0.370 0.000 2.234 1010 Q HA -0.248 4.090 4.340 -0.004 0.000 0.206 1010 Q C 1.765 177.579 176.000 -0.309 0.000 0.980 1010 Q CA 1.800 57.367 55.803 -0.394 0.000 0.869 1010 Q CB -0.461 28.091 28.738 -0.310 0.000 0.912 1010 Q HN 0.547 nan 8.270 nan 0.000 0.436 1011 D N -0.161 120.081 120.400 -0.264 0.000 2.123 1011 D HA -0.114 4.524 4.640 -0.004 0.000 0.200 1011 D C 1.722 177.869 176.300 -0.255 0.000 0.976 1011 D CA 0.804 54.684 54.000 -0.201 0.000 0.831 1011 D CB 0.231 40.944 40.800 -0.145 0.000 0.974 1011 D HN 0.022 nan 8.370 nan 0.000 0.469 1012 V N -0.152 119.545 119.914 -0.363 0.000 2.323 1012 V HA -0.216 3.902 4.120 -0.004 0.000 0.244 1012 V C 2.727 178.540 176.094 -0.468 0.000 1.041 1012 V CA 1.193 63.238 62.300 -0.426 0.000 1.025 1012 V CB -0.560 30.883 31.823 -0.634 0.000 0.656 1012 V HN 0.425 nan 8.190 nan 0.000 0.451 1013 C N 0.016 118.970 119.300 -0.578 0.000 2.382 1013 C HA -0.192 4.266 4.460 -0.004 0.000 0.281 1013 C C 2.745 177.425 174.990 -0.516 0.000 1.191 1013 C CA 1.521 60.193 59.018 -0.578 0.000 1.772 1013 C CB -1.029 26.374 27.740 -0.561 0.000 2.013 1013 C HN 0.439 nan 8.230 nan 0.000 0.437 1014 V N 1.239 120.937 119.914 -0.360 0.000 2.317 1014 V HA -0.324 3.794 4.120 -0.004 0.000 0.251 1014 V C 2.418 178.409 176.094 -0.171 0.000 1.065 1014 V CA 2.465 64.641 62.300 -0.208 0.000 1.049 1014 V CB -0.833 30.956 31.823 -0.056 0.000 0.651 1014 V HN 0.596 nan 8.190 nan 0.000 0.450 1015 K N 0.026 120.305 120.400 -0.203 0.000 2.097 1015 K HA -0.156 4.162 4.320 -0.004 0.000 0.206 1015 K C 2.115 178.598 176.600 -0.195 0.000 1.049 1015 K CA 1.559 57.743 56.287 -0.171 0.000 0.933 1015 K CB -0.253 32.144 32.500 -0.171 0.000 0.717 1015 K HN 0.483 nan 8.250 nan 0.000 0.442 1016 A N -0.255 122.391 122.820 -0.290 0.000 1.975 1016 A HA -0.100 4.218 4.320 -0.004 0.000 0.215 1016 A C 1.858 179.461 177.584 0.033 0.000 1.170 1016 A CA 0.604 52.481 52.037 -0.266 0.000 0.656 1016 A CB -0.581 17.997 19.000 -0.703 0.000 0.821 1016 A HN 0.528 nan 8.150 nan 0.000 0.449 1017 Y N 0.574 120.691 120.300 -0.305 0.000 2.421 1017 Y HA -0.030 4.517 4.550 -0.004 0.000 0.292 1017 Y C 1.616 177.418 175.900 -0.163 0.000 1.136 1017 Y CA 1.274 59.185 58.100 -0.315 0.000 1.255 1017 Y CB -0.164 37.816 38.460 -0.800 0.000 0.991 1017 Y HN 0.225 nan 8.280 nan 0.000 0.552 1018 L N -1.047 119.996 121.223 -0.300 0.000 2.202 1018 L HA 0.049 4.387 4.340 -0.004 0.000 0.205 1018 L C 2.711 179.267 176.870 -0.523 0.000 1.083 1018 L CA 0.763 55.362 54.840 -0.402 0.000 0.790 1018 L CB -0.885 41.027 42.059 -0.246 0.000 0.942 1018 L HN 0.160 nan 8.230 nan 0.000 0.452 1019 A N 0.323 122.984 122.820 -0.265 0.000 1.978 1019 A HA -0.168 4.150 4.320 -0.004 0.000 0.220 1019 A C 2.215 179.762 177.584 -0.062 0.000 1.170 1019 A CA 1.552 53.517 52.037 -0.120 0.000 0.636 1019 A CB -0.602 18.562 19.000 0.272 0.000 0.810 1019 A HN 0.390 nan 8.150 nan 0.000 0.448 1020 L N -1.660 119.518 121.223 -0.075 0.000 2.270 1020 L HA -0.020 4.318 4.340 -0.004 0.000 0.210 1020 L C 2.641 179.441 176.870 -0.117 0.000 1.104 1020 L CA 0.509 55.295 54.840 -0.089 0.000 0.804 1020 L CB -0.322 41.680 42.059 -0.096 0.000 0.937 1020 L HN 0.316 nan 8.230 nan 0.000 0.450 1021 R N -0.643 119.699 120.500 -0.263 0.000 2.152 1021 R HA -0.132 4.205 4.340 -0.004 0.000 0.232 1021 R C 1.875 178.137 176.300 -0.063 0.000 1.117 1021 R CA 1.050 57.020 56.100 -0.216 0.000 0.981 1021 R CB -0.430 29.682 30.300 -0.312 0.000 0.870 1021 R HN 0.553 nan 8.270 nan 0.000 0.451 1022 H N -1.149 117.846 119.070 -0.125 0.000 2.521 1022 H HA -0.015 4.539 4.556 -0.004 0.000 0.286 1022 H C 0.646 175.738 175.328 -0.393 0.000 1.034 1022 H CA 0.382 56.293 56.048 -0.228 0.000 1.278 1022 H CB 0.233 29.858 29.762 -0.228 0.000 1.386 1022 H HN 0.271 nan 8.280 nan 0.000 0.567 1023 H N -0.278 118.803 119.070 0.019 0.000 2.467 1023 H HA 0.117 4.671 4.556 -0.003 0.000 0.275 1023 H C 1.030 176.333 175.328 -0.041 0.000 1.131 1023 H CA -0.032 56.004 56.048 -0.020 0.000 0.989 1023 H CB 0.623 30.357 29.762 -0.047 0.000 1.696 1023 H HN 0.270 nan 8.280 nan 0.000 0.574 1024 T N 0.919 115.479 114.554 0.010 0.000 2.665 1024 T HA -0.171 4.176 4.350 -0.004 0.000 0.268 1024 T C 1.921 176.624 174.700 0.005 0.000 1.035 1024 T CA 1.429 63.520 62.100 -0.014 0.000 1.151 1024 T CB 0.134 68.978 68.868 -0.040 0.000 0.862 1024 T HN 0.415 nan 8.240 nan 0.000 0.438 1025 N N 1.070 119.775 118.700 0.009 0.000 2.166 1025 N HA 0.017 4.755 4.740 -0.004 0.000 0.186 1025 N C 1.782 177.314 175.510 0.037 0.000 1.019 1025 N CA 0.569 53.631 53.050 0.020 0.000 0.856 1025 N CB -0.634 37.861 38.487 0.014 0.000 0.993 1025 N HN 0.294 nan 8.380 nan 0.000 0.426 1026 L N -0.034 121.220 121.223 0.052 0.000 2.017 1026 L HA -0.145 4.193 4.340 -0.004 0.000 0.208 1026 L C 1.553 178.459 176.870 0.060 0.000 1.073 1026 L CA 1.076 55.950 54.840 0.056 0.000 0.745 1026 L CB -0.158 41.955 42.059 0.091 0.000 0.894 1026 L HN 0.108 nan 8.230 nan 0.000 0.432 1027 L N -0.363 120.892 121.223 0.053 0.000 2.046 1027 L HA -0.236 4.101 4.340 -0.004 0.000 0.208 1027 L C 2.416 179.345 176.870 0.099 0.000 1.077 1027 L CA 1.390 56.263 54.840 0.054 0.000 0.747 1027 L CB -0.972 41.089 42.059 0.004 0.000 0.896 1027 L HN 0.171 nan 8.230 nan 0.000 0.432 1028 I N -0.651 119.963 120.570 0.073 0.000 2.099 1028 I HA -0.303 3.865 4.170 -0.004 0.000 0.239 1028 I C 2.582 178.783 176.117 0.141 0.000 1.066 1028 I CA 1.419 62.781 61.300 0.105 0.000 1.324 1028 I CB -1.132 36.904 38.000 0.060 0.000 1.037 1028 I HN 0.210 nan 8.210 nan 0.000 0.401 1029 I N 0.716 121.341 120.570 0.092 0.000 2.208 1029 I HA -0.259 3.909 4.170 -0.004 0.000 0.245 1029 I C 2.435 178.604 176.117 0.086 0.000 1.097 1029 I CA 1.571 62.916 61.300 0.074 0.000 1.363 1029 I CB -0.335 37.692 38.000 0.044 0.000 1.051 1029 I HN 0.089 nan 8.210 nan 0.000 0.413 1030 L N -0.957 120.327 121.223 0.101 0.000 1.994 1030 L HA -0.235 4.102 4.340 -0.004 0.000 0.208 1030 L C 2.529 179.460 176.870 0.103 0.000 1.071 1030 L CA 1.821 56.721 54.840 0.099 0.000 0.745 1030 L CB -0.991 41.131 42.059 0.105 0.000 0.892 1030 L HN 0.273 nan 8.230 nan 0.000 0.431 1031 F N 0.347 120.309 119.950 0.020 0.000 2.161 1031 F HA -0.278 4.247 4.527 -0.003 0.000 0.300 1031 F C 2.853 178.674 175.800 0.034 0.000 1.089 1031 F CA 1.739 59.755 58.000 0.026 0.000 1.282 1031 F CB -0.257 38.765 39.000 0.038 0.000 1.010 1031 F HN 0.006 nan 8.300 nan 0.000 0.485 1032 S N -0.021 115.730 115.700 0.086 0.000 2.368 1032 S HA -0.198 4.270 4.470 -0.004 0.000 0.224 1032 S C 2.094 176.670 174.600 -0.040 0.000 1.029 1032 S CA 1.511 59.714 58.200 0.005 0.000 0.988 1032 S CB -0.261 62.978 63.200 0.064 0.000 0.838 1032 S HN 0.484 nan 8.310 nan 0.000 0.462 1033 M N 0.683 120.291 119.600 0.013 0.000 2.099 1033 M HA -0.049 4.429 4.480 -0.004 0.000 0.262 1033 M C 2.415 178.717 176.300 0.004 0.000 1.067 1033 M CA 1.873 57.222 55.300 0.082 0.000 1.124 1033 M CB -0.464 32.218 32.600 0.136 0.000 1.353 1033 M HN 0.511 nan 8.290 nan 0.000 0.410 1034 M N 0.830 120.385 119.600 -0.076 0.000 2.108 1034 M HA -0.261 4.217 4.480 -0.004 0.000 0.257 1034 M C 1.743 177.941 176.300 -0.170 0.000 1.071 1034 M CA 1.899 57.119 55.300 -0.134 0.000 1.093 1034 M CB -0.236 32.263 32.600 -0.168 0.000 1.345 1034 M HN 0.253 nan 8.290 nan 0.000 0.403 1035 L N -0.485 120.591 121.223 -0.245 0.000 2.217 1035 L HA -0.126 4.212 4.340 -0.004 0.000 0.211 1035 L C 2.429 179.240 176.870 -0.097 0.000 1.107 1035 L CA 0.920 55.633 54.840 -0.212 0.000 0.783 1035 L CB -0.549 41.333 42.059 -0.295 0.000 0.919 1035 L HN 0.484 nan 8.230 nan 0.000 0.442 1036 M N -0.914 118.659 119.600 -0.044 0.000 2.447 1036 M HA -0.033 4.445 4.480 -0.004 0.000 0.264 1036 M C 1.732 178.013 176.300 -0.031 0.000 1.095 1036 M CA 1.489 56.800 55.300 0.017 0.000 1.125 1036 M CB -0.218 32.468 32.600 0.144 0.000 1.389 1036 M HN 0.327 nan 8.290 nan 0.000 0.459 1037 T N -4.377 110.131 114.554 -0.077 0.000 3.040 1037 T HA 0.331 4.679 4.350 -0.004 0.000 0.266 1037 T C 1.191 175.816 174.700 -0.124 0.000 1.005 1037 T CA 0.306 62.315 62.100 -0.153 0.000 0.906 1037 T CB 0.385 69.110 68.868 -0.237 0.000 1.082 1037 T HN 0.345 nan 8.240 nan 0.000 0.531 1038 G N 1.029 109.769 108.800 -0.100 0.000 2.958 1038 G HA2 0.354 4.312 3.960 -0.004 0.000 0.225 1038 G HA3 0.354 4.312 3.960 -0.004 0.000 0.225 1038 G C 0.205 175.073 174.900 -0.053 0.000 1.036 1038 G CA -0.336 44.715 45.100 -0.083 0.000 0.880 1038 G HN 0.337 nan 8.290 nan 0.000 0.557 1039 M N 1.027 120.594 119.600 -0.056 0.000 2.101 1039 M HA 0.369 4.847 4.480 -0.004 0.000 0.340 1039 M C -2.203 174.077 176.300 -0.034 0.000 1.057 1039 M CA -3.076 52.204 55.300 -0.034 0.000 0.984 1039 M CB 1.552 34.126 32.600 -0.043 0.000 1.560 1039 M HN -0.216 nan 8.290 nan 0.000 0.435 1040 P HA -0.144 nan 4.420 nan 0.000 0.218 1040 P C 0.369 177.647 177.300 -0.036 0.000 1.148 1040 P CA 1.185 64.270 63.100 -0.025 0.000 0.822 1040 P CB 0.130 31.830 31.700 -0.000 0.000 0.784 1041 Q N 0.178 119.957 119.800 -0.035 0.000 2.443 1041 Q HA 0.057 4.395 4.340 -0.004 0.000 0.232 1041 Q C -0.004 175.980 176.000 -0.026 0.000 1.026 1041 Q CA 0.027 55.807 55.803 -0.038 0.000 0.924 1041 Q CB 0.157 28.875 28.738 -0.033 0.000 1.256 1041 Q HN 0.194 nan 8.270 nan 0.000 0.519 1042 L N 2.494 123.693 121.223 -0.039 0.000 2.480 1042 L HA 0.122 4.460 4.340 -0.004 0.000 0.243 1042 L C 0.382 177.336 176.870 0.139 0.000 1.315 1042 L CA -0.475 54.366 54.840 0.001 0.000 1.231 1042 L CB -0.489 41.417 42.059 -0.256 0.000 1.444 1042 L HN 0.720 nan 8.230 nan 0.000 0.409 1043 T N -1.595 113.025 114.554 0.110 0.000 2.939 1043 T HA 0.170 4.518 4.350 -0.004 0.000 0.319 1043 T C 0.620 175.430 174.700 0.183 0.000 1.082 1043 T CA -0.505 61.660 62.100 0.108 0.000 1.133 1043 T CB 0.843 69.733 68.868 0.037 0.000 1.019 1043 T HN 0.487 nan 8.240 nan 0.000 0.548 1044 S N 1.664 117.454 115.700 0.149 0.000 2.806 1044 S HA 0.537 5.005 4.470 -0.004 0.000 0.315 1044 S C 0.778 175.416 174.600 0.063 0.000 1.127 1044 S CA -1.240 57.032 58.200 0.120 0.000 0.918 1044 S CB 1.425 64.732 63.200 0.179 0.000 1.240 1044 S HN 0.609 nan 8.310 nan 0.000 0.552 1045 K N 1.129 121.546 120.400 0.028 0.000 2.103 1045 K HA -0.055 4.263 4.320 -0.004 0.000 0.207 1045 K C 1.697 178.345 176.600 0.080 0.000 1.048 1045 K CA 1.746 58.053 56.287 0.034 0.000 0.930 1045 K CB -0.614 31.891 32.500 0.008 0.000 0.716 1045 K HN 0.647 nan 8.250 nan 0.000 0.444 1046 E N 1.112 121.365 120.200 0.089 0.000 2.160 1046 E HA -0.175 4.173 4.350 -0.004 0.000 0.195 1046 E C 1.517 178.210 176.600 0.154 0.000 0.991 1046 E CA 1.391 57.857 56.400 0.111 0.000 0.810 1046 E CB -0.211 29.551 29.700 0.102 0.000 0.742 1046 E HN 0.289 nan 8.360 nan 0.000 0.466 1047 D N 0.256 120.748 120.400 0.154 0.000 2.097 1047 D HA -0.119 4.519 4.640 -0.004 0.000 0.197 1047 D C 1.922 178.417 176.300 0.325 0.000 0.984 1047 D CA 0.927 55.045 54.000 0.196 0.000 0.826 1047 D CB 0.009 40.888 40.800 0.131 0.000 0.973 1047 D HN 0.145 nan 8.370 nan 0.000 0.460 1048 I N 1.389 122.124 120.570 0.275 0.000 2.202 1048 I HA -0.174 3.994 4.170 -0.004 0.000 0.242 1048 I C 2.173 178.492 176.117 0.335 0.000 1.091 1048 I CA 0.972 62.512 61.300 0.399 0.000 1.368 1048 I CB -1.336 36.793 38.000 0.215 0.000 1.058 1048 I HN 0.036 nan 8.210 nan 0.000 0.410 1049 E N 0.261 120.578 120.200 0.195 0.000 2.233 1049 E HA -0.296 4.052 4.350 -0.004 0.000 0.199 1049 E C 2.097 178.738 176.600 0.068 0.000 1.004 1049 E CA 1.453 57.918 56.400 0.109 0.000 0.819 1049 E CB -0.473 29.278 29.700 0.086 0.000 0.738 1049 E HN 0.563 nan 8.360 nan 0.000 0.478 1050 Y N 1.037 121.359 120.300 0.036 0.000 2.151 1050 Y HA -0.281 4.267 4.550 -0.004 0.000 0.284 1050 Y C 2.158 177.950 175.900 -0.180 0.000 1.166 1050 Y CA 1.499 59.578 58.100 -0.035 0.000 1.163 1050 Y CB -0.215 38.247 38.460 0.003 0.000 0.974 1050 Y HN 0.032 nan 8.280 nan 0.000 0.511 1051 I N 0.814 121.200 120.570 -0.307 0.000 2.423 1051 I HA -0.267 3.901 4.170 -0.004 0.000 0.254 1051 I C 2.620 178.531 176.117 -0.342 0.000 1.151 1051 I CA 1.586 62.578 61.300 -0.513 0.000 1.421 1051 I CB -0.605 36.999 38.000 -0.660 0.000 1.079 1051 I HN 0.274 nan 8.210 nan 0.000 0.431 1052 R N -0.026 120.340 120.500 -0.223 0.000 2.093 1052 R HA -0.116 4.222 4.340 -0.004 0.000 0.224 1052 R C 1.717 177.902 176.300 -0.192 0.000 1.101 1052 R CA 1.533 57.540 56.100 -0.154 0.000 0.979 1052 R CB -0.163 30.091 30.300 -0.076 0.000 0.877 1052 R HN 0.328 nan 8.270 nan 0.000 0.441 1053 D N 0.316 120.561 120.400 -0.259 0.000 2.194 1053 D HA -0.052 4.586 4.640 -0.004 0.000 0.204 1053 D C 1.657 177.793 176.300 -0.273 0.000 0.964 1053 D CA 1.225 55.083 54.000 -0.237 0.000 0.846 1053 D CB -0.043 40.637 40.800 -0.200 0.000 0.962 1053 D HN 0.355 nan 8.370 nan 0.000 0.490 1054 A N 0.726 123.261 122.820 -0.475 0.000 1.930 1054 A HA -0.061 4.257 4.320 -0.004 0.000 0.217 1054 A C 2.192 179.761 177.584 -0.026 0.000 1.175 1054 A CA 0.756 52.536 52.037 -0.429 0.000 0.627 1054 A CB -0.598 17.860 19.000 -0.904 0.000 0.815 1054 A HN 0.199 nan 8.150 nan 0.000 0.443 1055 L N 0.519 121.679 121.223 -0.105 0.000 2.591 1055 L HA 0.014 4.352 4.340 -0.004 0.000 0.228 1055 L C 0.966 177.801 176.870 -0.059 0.000 1.133 1055 L CA 0.649 55.469 54.840 -0.032 0.000 0.880 1055 L CB -0.675 41.319 42.059 -0.109 0.000 1.033 1055 L HN 0.634 nan 8.230 nan 0.000 0.450 1056 T N -2.135 112.345 114.554 -0.124 0.000 3.433 1056 T HA -0.169 4.179 4.350 -0.004 0.000 0.412 1056 T C 0.090 174.723 174.700 -0.112 0.000 0.768 1056 T CA -0.148 61.841 62.100 -0.185 0.000 2.077 1056 T CB -2.882 65.824 68.868 -0.269 0.000 1.700 1056 T HN -0.007 nan 8.240 nan 0.000 0.666 1057 V N 1.298 121.155 119.914 -0.096 0.000 2.843 1057 V HA 0.550 4.668 4.120 -0.004 0.000 0.305 1057 V C 2.090 178.153 176.094 -0.053 0.000 1.065 1057 V CA 0.875 63.134 62.300 -0.068 0.000 1.116 1057 V CB 0.644 32.433 31.823 -0.057 0.000 0.968 1057 V HN 1.849 nan 8.190 nan 0.000 0.487 1058 G N 2.792 111.570 108.800 -0.038 0.000 2.176 1058 G HA2 -0.212 3.746 3.960 -0.004 0.000 0.253 1058 G HA3 -0.212 3.746 3.960 -0.004 0.000 0.253 1058 G C 0.040 174.927 174.900 -0.022 0.000 0.979 1058 G CA 0.379 45.464 45.100 -0.026 0.000 0.641 1058 G HN 0.629 nan 8.290 nan 0.000 0.530 1059 K N 0.631 121.015 120.400 -0.027 0.000 2.245 1059 K HA 0.783 5.101 4.320 -0.004 0.000 0.234 1059 K C 0.787 177.386 176.600 -0.003 0.000 1.021 1059 K CA 0.080 56.359 56.287 -0.013 0.000 0.898 1059 K CB 1.203 33.691 32.500 -0.020 0.000 1.163 1059 K HN 0.438 nan 8.250 nan 0.000 0.459 1060 S N -0.789 114.918 115.700 0.013 0.000 2.693 1060 S HA 0.238 4.706 4.470 -0.004 0.000 0.276 1060 S C 0.673 175.293 174.600 0.033 0.000 1.192 1060 S CA -0.504 57.707 58.200 0.019 0.000 0.994 1060 S CB 1.054 64.267 63.200 0.022 0.000 1.012 1060 S HN 0.525 nan 8.310 nan 0.000 0.550 1061 E N 0.446 120.668 120.200 0.036 0.000 2.118 1061 E HA -0.166 4.182 4.350 -0.004 0.000 0.195 1061 E C 1.665 178.307 176.600 0.069 0.000 0.992 1061 E CA 1.213 57.642 56.400 0.048 0.000 0.804 1061 E CB -0.059 29.672 29.700 0.051 0.000 0.741 1061 E HN 0.616 nan 8.360 nan 0.000 0.458 1062 E N 1.003 121.240 120.200 0.062 0.000 2.017 1062 E HA -0.186 4.162 4.350 -0.004 0.000 0.193 1062 E C 1.877 178.536 176.600 0.097 0.000 0.997 1062 E CA 0.785 57.228 56.400 0.071 0.000 0.804 1062 E CB -0.466 29.265 29.700 0.053 0.000 0.757 1062 E HN 0.266 nan 8.360 nan 0.000 0.448 1063 D N 0.330 120.783 120.400 0.089 0.000 2.133 1063 D HA -0.162 4.475 4.640 -0.004 0.000 0.195 1063 D C 1.757 178.161 176.300 0.174 0.000 0.997 1063 D CA 1.567 55.633 54.000 0.109 0.000 0.840 1063 D CB 0.152 40.997 40.800 0.075 0.000 0.947 1063 D HN 0.106 nan 8.370 nan 0.000 0.452 1064 A N 0.956 123.879 122.820 0.172 0.000 1.898 1064 A HA -0.166 4.152 4.320 -0.004 0.000 0.216 1064 A C 2.180 180.021 177.584 0.428 0.000 1.181 1064 A CA 1.784 54.000 52.037 0.297 0.000 0.620 1064 A CB -0.506 18.616 19.000 0.203 0.000 0.819 1064 A HN 0.245 nan 8.150 nan 0.000 0.442 1065 K N 0.045 120.611 120.400 0.277 0.000 2.020 1065 K HA -0.243 4.075 4.320 -0.004 0.000 0.212 1065 K C 1.953 178.697 176.600 0.240 0.000 1.050 1065 K CA 2.105 58.541 56.287 0.247 0.000 0.929 1065 K CB -0.180 32.403 32.500 0.138 0.000 0.714 1065 K HN 0.420 nan 8.250 nan 0.000 0.443 1066 K N -0.590 119.928 120.400 0.197 0.000 2.057 1066 K HA -0.170 4.148 4.320 -0.004 0.000 0.206 1066 K C 2.038 178.736 176.600 0.164 0.000 1.050 1066 K CA 1.512 57.889 56.287 0.150 0.000 0.935 1066 K CB -0.417 32.153 32.500 0.117 0.000 0.715 1066 K HN 0.241 nan 8.250 nan 0.000 0.439 1067 Y N 0.532 120.894 120.300 0.104 0.000 2.102 1067 Y HA -0.337 4.211 4.550 -0.004 0.000 0.280 1067 Y C 1.970 177.866 175.900 -0.007 0.000 1.178 1067 Y CA 1.682 59.826 58.100 0.072 0.000 1.146 1067 Y CB -0.339 38.207 38.460 0.143 0.000 0.968 1067 Y HN 0.046 nan 8.280 nan 0.000 0.504 1068 F N -0.193 119.731 119.950 -0.044 0.000 2.084 1068 F HA -0.181 4.344 4.527 -0.003 0.000 0.296 1068 F C 2.052 177.713 175.800 -0.231 0.000 1.111 1068 F CA 1.460 59.255 58.000 -0.342 0.000 1.224 1068 F CB -0.707 37.978 39.000 -0.526 0.000 0.991 1068 F HN 0.129 nan 8.300 nan 0.000 0.471 1069 L N 0.385 121.637 121.223 0.049 0.000 2.447 1069 L HA -0.203 4.135 4.340 -0.004 0.000 0.225 1069 L C 1.308 178.124 176.870 -0.090 0.000 1.148 1069 L CA 1.680 56.522 54.840 0.004 0.000 0.808 1069 L CB -0.929 41.166 42.059 0.059 0.000 0.928 1069 L HN 0.087 nan 8.230 nan 0.000 0.448 1070 D N -2.115 118.176 120.400 -0.181 0.000 2.240 1070 D HA -0.082 4.556 4.640 -0.004 0.000 0.206 1070 D C 2.075 178.182 176.300 -0.323 0.000 0.963 1070 D CA 0.390 54.268 54.000 -0.203 0.000 0.863 1070 D CB 0.155 40.839 40.800 -0.194 0.000 0.973 1070 D HN 0.219 nan 8.370 nan 0.000 0.501 1071 Q N 0.161 119.640 119.800 -0.534 0.000 2.124 1071 Q HA -0.042 4.296 4.340 -0.004 0.000 0.202 1071 Q C 2.261 177.930 176.000 -0.552 0.000 0.977 1071 Q CA 0.632 56.018 55.803 -0.695 0.000 0.850 1071 Q CB -0.054 28.038 28.738 -1.078 0.000 0.901 1071 Q HN 0.441 nan 8.270 nan 0.000 0.429 1072 I N 0.677 121.078 120.570 -0.282 0.000 2.454 1072 I HA -0.241 3.927 4.170 -0.004 0.000 0.254 1072 I C 2.145 178.260 176.117 -0.003 0.000 1.156 1072 I CA 0.914 62.241 61.300 0.046 0.000 1.433 1072 I CB -0.080 38.030 38.000 0.184 0.000 1.082 1072 I HN 0.135 nan 8.210 nan 0.000 0.432 1073 E N 0.801 120.950 120.200 -0.085 0.000 2.112 1073 E HA -0.101 4.247 4.350 -0.004 0.000 0.190 1073 E C 2.093 178.626 176.600 -0.112 0.000 0.979 1073 E CA 0.819 57.182 56.400 -0.061 0.000 0.814 1073 E CB -0.013 29.651 29.700 -0.060 0.000 0.762 1073 E HN 0.238 nan 8.360 nan 0.000 0.460 1074 V N -0.024 119.776 119.914 -0.191 0.000 2.720 1074 V HA -0.295 3.823 4.120 -0.004 0.000 0.256 1074 V C 2.195 178.180 176.094 -0.182 0.000 1.082 1074 V CA 1.603 63.787 62.300 -0.195 0.000 1.101 1074 V CB -0.639 31.025 31.823 -0.266 0.000 0.693 1074 V HN 0.428 nan 8.190 nan 0.000 0.479 1075 C N -0.867 118.317 119.300 -0.194 0.000 2.485 1075 C HA 0.057 4.515 4.460 -0.004 0.000 0.278 1075 C C 2.753 177.673 174.990 -0.115 0.000 1.356 1075 C CA 0.162 59.089 59.018 -0.151 0.000 1.747 1075 C CB -0.947 26.731 27.740 -0.104 0.000 2.001 1075 C HN 0.485 nan 8.230 nan 0.000 0.501 1076 R N 0.941 121.390 120.500 -0.085 0.000 2.235 1076 R HA -0.067 4.271 4.340 -0.004 0.000 0.213 1076 R C 1.192 177.436 176.300 -0.094 0.000 1.059 1076 R CA 0.992 57.039 56.100 -0.087 0.000 0.997 1076 R CB -0.075 30.197 30.300 -0.046 0.000 0.884 1076 R HN 0.575 nan 8.270 nan 0.000 0.462 1077 D N -0.220 120.128 120.400 -0.087 0.000 2.201 1077 D HA -0.064 4.574 4.640 -0.004 0.000 0.209 1077 D C 1.472 177.730 176.300 -0.070 0.000 0.961 1077 D CA 0.929 54.886 54.000 -0.072 0.000 0.861 1077 D CB 0.119 40.880 40.800 -0.066 0.000 0.997 1077 D HN -0.050 nan 8.370 nan 0.000 0.486 1078 K N 0.557 120.910 120.400 -0.078 0.000 2.217 1078 K HA 0.075 4.393 4.320 -0.004 0.000 0.202 1078 K C 1.531 178.091 176.600 -0.066 0.000 1.051 1078 K CA 0.819 57.073 56.287 -0.054 0.000 0.952 1078 K CB -0.483 31.989 32.500 -0.046 0.000 0.736 1078 K HN 0.193 nan 8.250 nan 0.000 0.453 1079 G N 0.297 109.007 108.800 -0.150 0.000 2.952 1079 G HA2 -0.353 3.605 3.960 -0.004 0.000 0.346 1079 G HA3 -0.353 3.605 3.960 -0.004 0.000 0.346 1079 G C 0.898 175.584 174.900 -0.356 0.000 1.191 1079 G CA 0.816 45.739 45.100 -0.295 0.000 0.961 1079 G HN 0.491 nan 8.290 nan 0.000 0.588 1080 W N 1.159 122.469 121.300 0.016 0.000 3.008 1080 W HA 0.393 5.051 4.660 -0.004 0.000 0.355 1080 W C 2.568 179.164 176.519 0.129 0.000 1.095 1080 W CA 0.420 57.821 57.345 0.093 0.000 1.738 1080 W CB 0.244 29.767 29.460 0.106 0.000 1.091 1080 W HN 0.435 nan 8.180 nan 0.000 0.574 1081 T N 1.278 115.976 114.554 0.240 0.000 2.570 1081 T HA -0.287 4.061 4.350 -0.004 0.000 0.266 1081 T C 1.835 176.676 174.700 0.234 0.000 1.071 1081 T CA 2.385 64.598 62.100 0.189 0.000 1.172 1081 T CB -0.819 68.097 68.868 0.080 0.000 0.864 1081 T HN -0.074 nan 8.240 nan 0.000 0.421 1082 V N 1.688 121.705 119.914 0.171 0.000 2.255 1082 V HA -0.202 3.915 4.120 -0.004 0.000 0.247 1082 V C 2.772 179.036 176.094 0.285 0.000 1.051 1082 V CA 1.598 63.977 62.300 0.131 0.000 1.018 1082 V CB -0.844 31.055 31.823 0.128 0.000 0.641 1082 V HN 0.384 nan 8.190 nan 0.000 0.445 1083 Q N -0.717 119.359 119.800 0.460 0.000 2.152 1083 Q HA -0.220 4.118 4.340 -0.004 0.000 0.206 1083 Q C 2.101 178.540 176.000 0.732 0.000 0.985 1083 Q CA 1.932 58.120 55.803 0.642 0.000 0.863 1083 Q CB -0.644 28.472 28.738 0.631 0.000 0.904 1083 Q HN 0.699 nan 8.270 nan 0.000 0.422 1084 F N 1.886 122.101 119.950 0.441 0.000 2.234 1084 F HA -0.140 4.385 4.527 -0.004 0.000 0.299 1084 F C 1.512 177.462 175.800 0.250 0.000 1.087 1084 F CA 1.142 59.298 58.000 0.260 0.000 1.340 1084 F CB -0.098 38.938 39.000 0.061 0.000 1.031 1084 F HN 0.084 nan 8.300 nan 0.000 0.500 1085 N N -0.722 118.060 118.700 0.137 0.000 2.171 1085 N HA -0.162 4.576 4.740 -0.004 0.000 0.184 1085 N C 1.587 177.084 175.510 -0.022 0.000 1.021 1085 N CA 1.630 54.635 53.050 -0.074 0.000 0.854 1085 N CB -0.740 37.644 38.487 -0.171 0.000 0.994 1085 N HN 0.416 nan 8.380 nan 0.000 0.426 1086 W N -0.153 121.248 121.300 0.169 0.000 2.374 1086 W HA -0.058 4.600 4.660 -0.003 0.000 0.288 1086 W C 1.717 178.188 176.519 -0.080 0.000 1.218 1086 W CA 0.058 57.465 57.345 0.104 0.000 1.245 1086 W CB -0.304 29.316 29.460 0.266 0.000 1.126 1086 W HN 0.028 nan 8.180 nan 0.000 0.545 1087 F N 0.265 120.314 119.950 0.165 0.000 2.234 1087 F HA -0.118 4.407 4.527 -0.004 0.000 0.299 1087 F C 1.894 177.632 175.800 -0.104 0.000 1.087 1087 F CA 1.556 59.579 58.000 0.039 0.000 1.340 1087 F CB -0.332 38.761 39.000 0.155 0.000 1.031 1087 F HN -0.260 nan 8.300 nan 0.000 0.500 1088 L N -1.126 120.082 121.223 -0.024 0.000 2.179 1088 L HA -0.150 4.188 4.340 -0.004 0.000 0.208 1088 L C 2.412 179.261 176.870 -0.035 0.000 1.096 1088 L CA 1.284 56.058 54.840 -0.110 0.000 0.779 1088 L CB -0.858 41.077 42.059 -0.208 0.000 0.922 1088 L HN 0.246 nan 8.230 nan 0.000 0.443 1089 H N -0.558 118.460 119.070 -0.086 0.000 2.343 1089 H HA -0.087 4.467 4.556 -0.003 0.000 0.303 1089 H C 2.140 177.447 175.328 -0.036 0.000 1.068 1089 H CA 0.902 56.936 56.048 -0.024 0.000 1.359 1089 H CB 0.511 30.318 29.762 0.076 0.000 1.402 1089 H HN 0.087 nan 8.280 nan 0.000 0.515 1090 L N -0.194 121.010 121.223 -0.031 0.000 2.071 1090 L HA -0.090 4.248 4.340 -0.004 0.000 0.201 1090 L C 2.549 179.300 176.870 -0.198 0.000 1.076 1090 L CA 0.770 55.502 54.840 -0.180 0.000 0.755 1090 L CB -0.457 41.405 42.059 -0.329 0.000 0.915 1090 L HN 0.147 nan 8.230 nan 0.000 0.445 1091 V N -0.699 118.990 119.914 -0.374 0.000 2.427 1091 V HA -0.183 3.935 4.120 -0.004 0.000 0.248 1091 V C 1.864 177.783 176.094 -0.292 0.000 1.051 1091 V CA 1.332 63.360 62.300 -0.453 0.000 1.048 1091 V CB -0.454 30.741 31.823 -1.046 0.000 0.666 1091 V HN 0.312 nan 8.190 nan 0.000 0.456 1092 L N 0.509 121.580 121.223 -0.254 0.000 2.700 1092 L HA 0.401 4.739 4.340 -0.004 0.000 0.234 1092 L C 1.665 178.509 176.870 -0.043 0.000 1.156 1092 L CA 0.454 55.223 54.840 -0.118 0.000 0.946 1092 L CB -0.498 41.503 42.059 -0.096 0.000 1.216 1092 L HN 0.494 nan 8.230 nan 0.000 0.493 1093 G N 1.676 110.465 108.800 -0.018 0.000 2.449 1093 G HA2 -0.302 3.656 3.960 -0.004 0.000 0.304 1093 G HA3 -0.302 3.656 3.960 -0.004 0.000 0.304 1093 G C 0.453 175.378 174.900 0.042 0.000 0.962 1093 G CA 0.504 45.626 45.100 0.037 0.000 0.943 1093 G HN 0.383 nan 8.290 nan 0.000 0.514 1094 I N 0.000 120.585 120.570 0.024 0.000 2.984 1094 I HA 0.000 4.168 4.170 -0.004 0.000 0.288 1094 I CA 0.000 61.289 61.300 -0.017 0.000 1.566 1094 I CB 0.000 37.969 38.000 -0.051 0.000 1.214 1094 I HN 0.000 nan 8.210 nan 0.000 0.494