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 1e90_1_A DATA FIRST_RESID 143 DATA SEQUENCE ASEETLAFQR QLNALIGYDV TDVSNVHDDE LEFTRRRLVT PRMAEVAGRD DATA SEQUENCE PKLYAMHPWV TSKPLPEYLL KKITNNCVFI VIHRSTTSQT IKVSADDTPG DATA SEQUENCE TILQSFFTKM XXXXXXXXXX XXXNERDFVL RVCGRDEYLV GETPIKNFQW DATA SEQUENCE VRQCLKNGEE IHLVLDTPPD PALDEVRKEX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXCDRKFR VKIRGIDIPV LPRTADLTVF VEANIQYGQQ DATA SEQUENCE VLCQRRTSPK PFTEEVLWNV WLEFSIKIKD LPKGALLNLQ IYCXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXQLLY YVNLLLIDHR FLLRHGEYVL HMWQLSXXXX DATA SEQUENCE XXXXFNADKL TSATNPDKEN SMSISILLDX XXHPIALPXX 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 XXXXXXXKER 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 0.000 177.591 177.584 0.011 0.000 1.274 143 A CA 0.000 52.045 52.037 0.013 0.000 0.836 143 A CB 0.000 19.009 19.000 0.015 0.000 0.831 144 S N 0.159 115.863 115.700 0.008 0.000 2.592 144 S HA 0.203 4.671 4.470 -0.003 0.000 0.256 144 S C 0.998 175.605 174.600 0.012 0.000 1.369 144 S CA 0.428 58.631 58.200 0.006 0.000 0.984 144 S CB 0.702 63.901 63.200 -0.002 0.000 0.919 144 S HN 0.516 nan 8.310 nan 0.000 0.576 145 E N 0.402 120.609 120.200 0.011 0.000 2.150 145 E HA -0.138 4.211 4.350 -0.003 0.000 0.193 145 E C 1.883 178.498 176.600 0.026 0.000 0.985 145 E CA 1.260 57.670 56.400 0.016 0.000 0.814 145 E CB -0.318 29.389 29.700 0.012 0.000 0.752 145 E HN 0.814 nan 8.360 nan 0.000 0.466 146 E N -0.207 120.004 120.200 0.018 0.000 2.051 146 E HA -0.109 4.239 4.350 -0.003 0.000 0.192 146 E C 1.929 178.557 176.600 0.047 0.000 0.991 146 E CA 1.979 58.391 56.400 0.021 0.000 0.799 146 E CB -0.316 29.377 29.700 -0.011 0.000 0.748 146 E HN 0.113 nan 8.360 nan 0.000 0.449 147 T N 1.194 115.770 114.554 0.036 0.000 2.652 147 T HA -0.159 4.189 4.350 -0.003 0.000 0.267 147 T C 1.897 176.663 174.700 0.111 0.000 1.039 147 T CA 1.590 63.729 62.100 0.066 0.000 1.153 147 T CB -0.387 68.505 68.868 0.040 0.000 0.863 147 T HN 0.121 nan 8.240 nan 0.000 0.428 148 L N 0.828 122.093 121.223 0.070 0.000 2.012 148 L HA -0.137 4.201 4.340 -0.003 0.000 0.210 148 L C 3.144 180.058 176.870 0.073 0.000 1.073 148 L CA 1.317 56.192 54.840 0.059 0.000 0.748 148 L CB -0.911 41.168 42.059 0.033 0.000 0.891 148 L HN 0.265 nan 8.230 nan 0.000 0.431 149 A N 0.227 123.096 122.820 0.082 0.000 1.884 149 A HA -0.312 4.006 4.320 -0.003 0.000 0.219 149 A C 2.185 179.851 177.584 0.137 0.000 1.197 149 A CA 2.034 54.125 52.037 0.090 0.000 0.637 149 A CB -1.035 18.017 19.000 0.087 0.000 0.827 149 A HN 0.365 nan 8.150 nan 0.000 0.450 150 F N 0.513 120.463 119.950 -0.000 0.000 2.043 150 F HA -0.281 4.245 4.527 -0.002 0.000 0.297 150 F C 2.517 178.318 175.800 0.002 0.000 1.121 150 F CA 2.493 60.494 58.000 0.001 0.000 1.199 150 F CB -0.834 38.164 39.000 -0.002 0.000 0.968 150 F HN 0.353 nan 8.300 nan 0.000 0.478 151 Q N 0.732 120.551 119.800 0.032 0.000 2.077 151 Q HA -0.259 4.079 4.340 -0.003 0.000 0.206 151 Q C 2.474 178.412 176.000 -0.104 0.000 0.989 151 Q CA 2.377 58.132 55.803 -0.080 0.000 0.853 151 Q CB -0.598 28.139 28.738 -0.003 0.000 0.907 151 Q HN 0.469 nan 8.270 nan 0.000 0.418 152 R N -0.144 120.329 120.500 -0.046 0.000 2.115 152 R HA -0.281 4.057 4.340 -0.003 0.000 0.239 152 R C 2.381 178.643 176.300 -0.062 0.000 1.133 152 R CA 2.330 58.404 56.100 -0.043 0.000 0.935 152 R CB -0.445 29.849 30.300 -0.010 0.000 0.853 152 R HN 0.689 nan 8.270 nan 0.000 0.433 153 Q N 0.111 119.871 119.800 -0.066 0.000 2.124 153 Q HA -0.162 4.176 4.340 -0.003 0.000 0.202 153 Q C 2.311 178.237 176.000 -0.122 0.000 0.977 153 Q CA 1.561 57.323 55.803 -0.068 0.000 0.850 153 Q CB -0.437 28.280 28.738 -0.034 0.000 0.901 153 Q HN 0.413 nan 8.270 nan 0.000 0.429 154 L N 1.127 122.206 121.223 -0.240 0.000 1.989 154 L HA -0.209 4.129 4.340 -0.003 0.000 0.211 154 L C 2.239 179.034 176.870 -0.125 0.000 1.071 154 L CA 1.414 56.106 54.840 -0.247 0.000 0.749 154 L CB -0.776 41.057 42.059 -0.377 0.000 0.890 154 L HN 0.374 nan 8.230 nan 0.000 0.431 155 N N 0.395 119.029 118.700 -0.111 0.000 2.149 155 N HA -0.196 4.543 4.740 -0.003 0.000 0.188 155 N C 1.831 177.311 175.510 -0.050 0.000 1.019 155 N CA 1.602 54.606 53.050 -0.078 0.000 0.857 155 N CB -0.397 38.034 38.487 -0.094 0.000 0.997 155 N HN 0.359 nan 8.380 nan 0.000 0.426 156 A N 1.536 124.329 122.820 -0.045 0.000 1.883 156 A HA -0.072 4.247 4.320 -0.003 0.000 0.217 156 A C 2.447 180.029 177.584 -0.002 0.000 1.186 156 A CA 0.995 53.022 52.037 -0.017 0.000 0.624 156 A CB -0.770 18.224 19.000 -0.009 0.000 0.822 156 A HN 0.203 nan 8.150 nan 0.000 0.444 157 L N -0.692 120.530 121.223 -0.002 0.000 2.056 157 L HA -0.150 4.188 4.340 -0.003 0.000 0.207 157 L C 2.490 179.350 176.870 -0.017 0.000 1.078 157 L CA 1.180 56.045 54.840 0.042 0.000 0.749 157 L CB -0.463 41.642 42.059 0.077 0.000 0.901 157 L HN 0.388 nan 8.230 nan 0.000 0.433 158 I N -0.495 120.047 120.570 -0.048 0.000 2.226 158 I HA -0.203 3.965 4.170 -0.003 0.000 0.245 158 I C 1.777 177.848 176.117 -0.076 0.000 1.100 158 I CA 1.330 62.573 61.300 -0.096 0.000 1.374 158 I CB -0.534 37.451 38.000 -0.025 0.000 1.057 158 I HN 0.509 nan 8.210 nan 0.000 0.413 159 G N -0.498 108.295 108.800 -0.011 0.000 2.176 159 G HA2 -0.304 3.655 3.960 -0.003 0.000 0.232 159 G HA3 -0.304 3.655 3.960 -0.003 0.000 0.232 159 G C -0.058 174.915 174.900 0.123 0.000 0.986 159 G CA 0.037 45.154 45.100 0.029 0.000 0.643 159 G HN 0.353 nan 8.290 nan 0.000 0.522 160 Y N 0.279 120.556 120.300 -0.039 0.000 2.571 160 Y HA 0.559 5.108 4.550 -0.003 0.000 0.341 160 Y C -1.479 174.404 175.900 -0.028 0.000 1.076 160 Y CA -1.196 56.891 58.100 -0.022 0.000 1.029 160 Y CB 1.972 40.425 38.460 -0.013 0.000 1.308 160 Y HN 0.052 nan 8.280 nan 0.000 0.461 161 D N 3.353 123.280 120.400 -0.789 0.000 2.468 161 D HA 0.211 4.850 4.640 -0.003 0.000 0.218 161 D C 0.973 176.938 176.300 -0.559 0.000 1.155 161 D CA -0.083 53.595 54.000 -0.537 0.000 0.924 161 D CB 0.744 41.288 40.800 -0.427 0.000 1.029 161 D HN 0.489 nan 8.370 nan 0.000 0.515 162 V N 1.756 121.565 119.914 -0.175 0.000 3.186 162 V HA -0.153 3.966 4.120 -0.003 0.000 0.270 162 V C 1.695 177.772 176.094 -0.029 0.000 1.149 162 V CA 1.975 64.281 62.300 0.010 0.000 1.160 162 V CB -1.490 30.365 31.823 0.054 0.000 0.758 162 V HN 0.641 nan 8.190 nan 0.000 0.516 163 T N -2.587 111.914 114.554 -0.088 0.000 3.051 163 T HA 0.033 4.382 4.350 -0.003 0.000 0.255 163 T C 0.757 175.420 174.700 -0.061 0.000 1.085 163 T CA 0.455 62.522 62.100 -0.055 0.000 1.109 163 T CB -0.473 68.363 68.868 -0.052 0.000 0.921 163 T HN 0.565 nan 8.240 nan 0.000 0.488 164 D N 0.650 120.976 120.400 -0.122 0.000 2.548 164 D HA 0.033 4.672 4.640 -0.003 0.000 0.231 164 D C 0.542 176.828 176.300 -0.023 0.000 1.142 164 D CA 0.409 54.348 54.000 -0.101 0.000 0.866 164 D CB 0.684 41.366 40.800 -0.197 0.000 1.190 164 D HN 0.067 nan 8.370 nan 0.000 0.469 165 V N 2.357 122.264 119.914 -0.012 0.000 3.372 165 V HA -0.023 4.095 4.120 -0.003 0.000 0.304 165 V C 1.785 177.886 176.094 0.012 0.000 1.530 165 V CA 0.537 62.843 62.300 0.010 0.000 1.080 165 V CB 0.009 31.836 31.823 0.007 0.000 0.929 165 V HN 0.717 nan 8.190 nan 0.000 0.455 166 S N 0.610 116.312 115.700 0.003 0.000 2.442 166 S HA -0.103 4.365 4.470 -0.003 0.000 0.236 166 S C 1.031 175.638 174.600 0.012 0.000 1.007 166 S CA 1.716 59.916 58.200 0.000 0.000 0.965 166 S CB -0.317 62.875 63.200 -0.014 0.000 0.773 166 S HN 0.587 nan 8.310 nan 0.000 0.504 167 N N 0.699 119.419 118.700 0.033 0.000 2.844 167 N HA 0.421 5.159 4.740 -0.003 0.000 0.268 167 N C -1.110 174.439 175.510 0.065 0.000 1.574 167 N CA -0.328 52.748 53.050 0.043 0.000 0.838 167 N CB 1.359 39.867 38.487 0.035 0.000 1.177 167 N HN 0.340 nan 8.380 nan 0.000 0.495 168 V N -0.308 119.646 119.914 0.067 0.000 3.098 168 V HA 0.465 4.583 4.120 -0.003 0.000 0.294 168 V C 0.006 176.142 176.094 0.070 0.000 1.351 168 V CA -0.854 61.475 62.300 0.049 0.000 0.999 168 V CB 1.633 33.458 31.823 0.003 0.000 1.104 168 V HN 0.533 nan 8.190 nan 0.000 0.438 169 H N 1.117 120.239 119.070 0.086 0.000 2.592 169 H HA 0.473 5.028 4.556 -0.002 0.000 0.279 169 H C -0.338 175.050 175.328 0.100 0.000 1.089 169 H CA 0.466 56.561 56.048 0.078 0.000 1.150 169 H CB 0.590 30.451 29.762 0.164 0.000 1.575 169 H HN 0.965 nan 8.280 nan 0.000 0.547 170 D N 0.861 121.157 120.400 -0.172 0.000 3.376 170 D HA -0.046 4.592 4.640 -0.003 0.000 0.344 170 D C -0.778 175.518 176.300 -0.007 0.000 1.428 170 D CA -0.264 53.707 54.000 -0.048 0.000 0.949 170 D CB 0.432 41.218 40.800 -0.023 0.000 1.451 170 D HN 0.116 nan 8.370 nan 0.000 0.578 171 D N -1.044 119.402 120.400 0.075 0.000 2.804 171 D HA 0.109 4.747 4.640 -0.003 0.000 0.308 171 D C 0.612 176.940 176.300 0.046 0.000 1.371 171 D CA -0.292 53.764 54.000 0.092 0.000 0.823 171 D CB 0.480 41.374 40.800 0.156 0.000 1.126 171 D HN 0.502 nan 8.370 nan 0.000 0.467 172 E N 0.535 120.639 120.200 -0.160 0.000 2.047 172 E HA -0.087 4.262 4.350 -0.003 0.000 0.191 172 E C 1.888 178.535 176.600 0.077 0.000 0.987 172 E CA 0.566 56.734 56.400 -0.386 0.000 0.799 172 E CB 0.188 29.714 29.700 -0.291 0.000 0.752 172 E HN 0.299 nan 8.360 nan 0.000 0.449 173 L N 0.631 121.885 121.223 0.051 0.000 1.970 173 L HA -0.232 4.106 4.340 -0.003 0.000 0.212 173 L C 2.687 179.573 176.870 0.026 0.000 1.071 173 L CA 1.573 56.379 54.840 -0.056 0.000 0.751 173 L CB -0.465 41.530 42.059 -0.106 0.000 0.889 173 L HN 0.144 nan 8.230 nan 0.000 0.432 174 E N 0.052 120.287 120.200 0.059 0.000 2.118 174 E HA -0.277 4.072 4.350 -0.003 0.000 0.195 174 E C 1.917 178.586 176.600 0.114 0.000 0.992 174 E CA 1.307 57.752 56.400 0.075 0.000 0.804 174 E CB -0.311 29.440 29.700 0.084 0.000 0.741 174 E HN 0.368 nan 8.360 nan 0.000 0.458 175 F N 0.213 120.178 119.950 0.024 0.000 2.216 175 F HA -0.144 4.381 4.527 -0.002 0.000 0.300 175 F C 1.945 177.783 175.800 0.063 0.000 1.085 175 F CA 1.782 59.822 58.000 0.065 0.000 1.326 175 F CB -0.305 38.757 39.000 0.102 0.000 1.027 175 F HN -0.015 nan 8.300 nan 0.000 0.497 176 T N 0.179 114.756 114.554 0.037 0.000 2.978 176 T HA -0.031 4.317 4.350 -0.003 0.000 0.262 176 T C 1.947 176.609 174.700 -0.062 0.000 1.063 176 T CA 0.836 62.920 62.100 -0.027 0.000 1.140 176 T CB -0.157 68.776 68.868 0.108 0.000 0.886 176 T HN 0.229 nan 8.240 nan 0.000 0.470 177 R N 0.972 121.454 120.500 -0.031 0.000 2.120 177 R HA 0.050 4.388 4.340 -0.003 0.000 0.234 177 R C 2.624 178.898 176.300 -0.044 0.000 1.123 177 R CA 1.074 57.163 56.100 -0.019 0.000 0.975 177 R CB -0.114 30.186 30.300 0.000 0.000 0.866 177 R HN 0.312 nan 8.270 nan 0.000 0.446 178 R N -0.017 120.429 120.500 -0.091 0.000 2.093 178 R HA 0.059 4.398 4.340 -0.003 0.000 0.224 178 R C 2.161 178.369 176.300 -0.153 0.000 1.101 178 R CA 0.668 56.704 56.100 -0.107 0.000 0.979 178 R CB -0.009 30.227 30.300 -0.107 0.000 0.877 178 R HN 0.131 nan 8.270 nan 0.000 0.441 179 R N 0.584 120.927 120.500 -0.262 0.000 2.235 179 R HA 0.009 4.347 4.340 -0.003 0.000 0.213 179 R C 1.806 178.047 176.300 -0.098 0.000 1.059 179 R CA 0.732 56.691 56.100 -0.234 0.000 0.997 179 R CB 0.019 30.099 30.300 -0.367 0.000 0.884 179 R HN 0.240 nan 8.270 nan 0.000 0.462 180 L N 0.022 121.208 121.223 -0.062 0.000 2.509 180 L HA -0.000 4.338 4.340 -0.003 0.000 0.222 180 L C 2.008 178.876 176.870 -0.002 0.000 1.123 180 L CA 0.041 54.875 54.840 -0.010 0.000 0.856 180 L CB 0.049 42.118 42.059 0.016 0.000 0.985 180 L HN -0.076 nan 8.230 nan 0.000 0.456 181 V N -0.462 119.442 119.914 -0.016 0.000 2.332 181 V HA -0.278 3.840 4.120 -0.003 0.000 0.248 181 V C 2.493 178.583 176.094 -0.006 0.000 1.055 181 V CA 2.352 64.648 62.300 -0.006 0.000 1.038 181 V CB -0.952 30.863 31.823 -0.012 0.000 0.651 181 V HN 0.448 nan 8.190 nan 0.000 0.450 182 T N 0.278 114.826 114.554 -0.011 0.000 2.668 182 T HA -0.079 4.270 4.350 -0.003 0.000 0.262 182 T C 0.090 174.791 174.700 0.002 0.000 1.045 182 T CA 1.915 64.012 62.100 -0.006 0.000 1.152 182 T CB -1.215 67.649 68.868 -0.007 0.000 0.864 182 T HN 0.402 nan 8.240 nan 0.000 0.419 183 P HA -0.082 nan 4.420 nan 0.000 0.216 183 P C 1.517 178.827 177.300 0.016 0.000 1.150 183 P CA 1.058 64.169 63.100 0.019 0.000 0.843 183 P CB -0.031 31.688 31.700 0.033 0.000 0.787 184 R N -0.265 120.245 120.500 0.017 0.000 2.082 184 R HA -0.135 4.203 4.340 -0.003 0.000 0.234 184 R C 2.123 178.420 176.300 -0.006 0.000 1.136 184 R CA 2.148 58.257 56.100 0.015 0.000 0.935 184 R CB -0.742 29.571 30.300 0.020 0.000 0.842 184 R HN 0.133 nan 8.270 nan 0.000 0.430 185 M N -0.018 119.576 119.600 -0.009 0.000 2.159 185 M HA -0.082 4.397 4.480 -0.003 0.000 0.263 185 M C 2.386 178.672 176.300 -0.023 0.000 1.063 185 M CA 1.639 56.927 55.300 -0.020 0.000 1.110 185 M CB -0.177 32.414 32.600 -0.016 0.000 1.374 185 M HN 0.317 nan 8.290 nan 0.000 0.411 186 A N -0.320 122.492 122.820 -0.013 0.000 2.121 186 A HA -0.160 4.159 4.320 -0.003 0.000 0.218 186 A C 1.957 179.530 177.584 -0.019 0.000 1.154 186 A CA 1.860 53.890 52.037 -0.011 0.000 0.679 186 A CB -0.430 18.570 19.000 0.000 0.000 0.795 186 A HN 0.438 nan 8.150 nan 0.000 0.458 187 E N -0.696 119.487 120.200 -0.027 0.000 2.201 187 E HA 0.022 4.371 4.350 -0.003 0.000 0.193 187 E C 1.766 178.313 176.600 -0.087 0.000 0.957 187 E CA 0.938 57.312 56.400 -0.044 0.000 0.858 187 E CB -0.250 29.430 29.700 -0.033 0.000 0.816 187 E HN 0.163 nan 8.360 nan 0.000 0.475 188 V N 1.458 121.316 119.914 -0.092 0.000 2.231 188 V HA -0.311 3.807 4.120 -0.003 0.000 0.248 188 V C 2.419 178.445 176.094 -0.113 0.000 1.054 188 V CA 2.267 64.488 62.300 -0.131 0.000 1.015 188 V CB -1.132 30.636 31.823 -0.093 0.000 0.638 188 V HN 0.442 nan 8.190 nan 0.000 0.444 189 A N 0.133 122.911 122.820 -0.071 0.000 2.067 189 A HA 0.026 4.345 4.320 -0.003 0.000 0.219 189 A C 2.136 179.691 177.584 -0.049 0.000 1.158 189 A CA 1.540 53.544 52.037 -0.054 0.000 0.661 189 A CB -0.775 18.203 19.000 -0.037 0.000 0.801 189 A HN 0.610 nan 8.150 nan 0.000 0.452 190 G N -0.236 108.534 108.800 -0.051 0.000 3.141 190 G HA2 0.226 4.184 3.960 -0.003 0.000 0.218 190 G HA3 0.226 4.184 3.960 -0.003 0.000 0.218 190 G C 0.635 175.508 174.900 -0.046 0.000 1.170 190 G CA -0.074 45.004 45.100 -0.038 0.000 0.769 190 G HN 0.701 nan 8.290 nan 0.000 0.546 191 R N 0.463 120.915 120.500 -0.080 0.000 2.346 191 R HA 0.408 4.747 4.340 -0.003 0.000 0.311 191 R C -1.389 174.884 176.300 -0.046 0.000 0.983 191 R CA -0.795 55.254 56.100 -0.085 0.000 0.880 191 R CB 1.201 31.376 30.300 -0.208 0.000 1.100 191 R HN -0.057 nan 8.270 nan 0.000 0.453 192 D N 4.764 125.166 120.400 0.004 0.000 2.450 192 D HA 0.014 4.652 4.640 -0.003 0.000 0.247 192 D C -1.134 175.201 176.300 0.059 0.000 1.162 192 D CA -1.540 52.476 54.000 0.027 0.000 0.879 192 D CB 1.227 42.050 40.800 0.039 0.000 1.163 192 D HN 0.384 nan 8.370 nan 0.000 0.472 193 P HA -0.219 nan 4.420 nan 0.000 0.215 193 P C 0.809 178.160 177.300 0.084 0.000 1.157 193 P CA 1.476 64.619 63.100 0.071 0.000 0.868 193 P CB 0.282 32.000 31.700 0.030 0.000 0.788 194 K N -0.118 120.306 120.400 0.040 0.000 1.973 194 K HA -0.054 4.265 4.320 -0.003 0.000 0.212 194 K C 2.490 179.096 176.600 0.009 0.000 1.047 194 K CA 1.176 57.467 56.287 0.006 0.000 0.937 194 K CB -0.847 31.650 32.500 -0.006 0.000 0.721 194 K HN 0.102 nan 8.250 nan 0.000 0.440 195 L N 0.138 121.385 121.223 0.041 0.000 2.129 195 L HA -0.228 4.111 4.340 -0.003 0.000 0.212 195 L C 2.463 179.391 176.870 0.098 0.000 1.087 195 L CA 1.141 56.013 54.840 0.053 0.000 0.757 195 L CB -0.363 41.737 42.059 0.068 0.000 0.896 195 L HN 0.260 nan 8.230 nan 0.000 0.434 196 Y N -0.019 120.283 120.300 0.003 0.000 2.519 196 Y HA 0.005 4.553 4.550 -0.003 0.000 0.287 196 Y C 2.234 178.150 175.900 0.028 0.000 1.128 196 Y CA 0.530 58.645 58.100 0.024 0.000 1.282 196 Y CB -0.016 38.452 38.460 0.012 0.000 1.027 196 Y HN 0.073 nan 8.280 nan 0.000 0.551 197 A N -0.151 122.637 122.820 -0.054 0.000 1.935 197 A HA -0.004 4.315 4.320 -0.003 0.000 0.214 197 A C 1.906 179.385 177.584 -0.175 0.000 1.178 197 A CA 1.383 53.332 52.037 -0.147 0.000 0.640 197 A CB -0.377 18.559 19.000 -0.106 0.000 0.825 197 A HN 0.475 nan 8.150 nan 0.000 0.447 198 M N 0.656 120.119 119.600 -0.229 0.000 2.371 198 M HA 0.094 4.572 4.480 -0.003 0.000 0.246 198 M C -0.126 175.911 176.300 -0.439 0.000 1.103 198 M CA -0.098 54.925 55.300 -0.462 0.000 1.010 198 M CB -0.028 32.196 32.600 -0.627 0.000 1.457 198 M HN 0.676 nan 8.290 nan 0.000 0.486 199 H N -0.729 118.280 119.070 -0.100 0.000 2.133 199 H HA -0.104 4.450 4.556 -0.003 0.000 0.319 199 H C -2.647 172.733 175.328 0.087 0.000 0.911 199 H CA -0.389 55.642 56.048 -0.029 0.000 1.058 199 H CB -2.046 27.666 29.762 -0.084 0.000 1.594 199 H HN 0.165 nan 8.280 nan 0.000 0.331 200 P HA -0.047 nan 4.420 nan 0.000 0.267 200 P C 0.029 177.453 177.300 0.207 0.000 1.200 200 P CA 0.048 63.223 63.100 0.126 0.000 0.772 200 P CB 0.416 32.192 31.700 0.127 0.000 0.855 201 W N 5.448 126.771 121.300 0.039 0.000 2.336 201 W HA 0.479 5.137 4.660 -0.003 0.000 0.315 201 W C -1.362 175.100 176.519 -0.095 0.000 1.016 201 W CA -0.830 56.527 57.345 0.020 0.000 1.318 201 W CB 0.527 30.049 29.460 0.104 0.000 1.247 201 W HN 0.238 nan 8.180 nan 0.000 0.414 202 V N 2.644 122.676 119.914 0.196 0.000 3.156 202 V HA 0.924 5.043 4.120 -0.003 0.000 0.311 202 V C -1.008 175.093 176.094 0.012 0.000 1.208 202 V CA -0.936 61.284 62.300 -0.133 0.000 1.063 202 V CB 1.543 33.110 31.823 -0.427 0.000 1.098 202 V HN 0.430 nan 8.190 nan 0.000 0.452 203 T N -0.324 114.192 114.554 -0.064 0.000 2.993 203 T HA 0.484 4.832 4.350 -0.003 0.000 0.312 203 T C 0.291 174.977 174.700 -0.024 0.000 1.115 203 T CA 0.276 62.374 62.100 -0.003 0.000 1.027 203 T CB 1.625 70.503 68.868 0.017 0.000 1.116 203 T HN 1.812 nan 8.240 nan 0.000 0.464 204 S N 3.041 118.739 115.700 -0.003 0.000 2.597 204 S HA 0.346 4.814 4.470 -0.003 0.000 0.224 204 S C 0.360 174.959 174.600 -0.001 0.000 0.955 204 S CA -0.518 57.677 58.200 -0.008 0.000 0.933 204 S CB -0.366 62.833 63.200 -0.002 0.000 0.788 204 S HN 0.656 nan 8.310 nan 0.000 0.488 205 K N 2.868 123.270 120.400 0.005 0.000 2.118 205 K HA 0.412 4.730 4.320 -0.003 0.000 0.264 205 K C -2.526 174.065 176.600 -0.015 0.000 1.000 205 K CA -2.090 54.199 56.287 0.004 0.000 0.929 205 K CB 0.236 32.748 32.500 0.020 0.000 1.021 205 K HN 0.197 nan 8.250 nan 0.000 0.463 206 P HA 0.056 nan 4.420 nan 0.000 0.274 206 P C -0.480 176.781 177.300 -0.066 0.000 1.231 206 P CA -0.255 62.822 63.100 -0.038 0.000 0.790 206 P CB 0.591 32.270 31.700 -0.036 0.000 0.951 207 L N 4.116 125.293 121.223 -0.078 0.000 2.562 207 L HA 0.088 4.426 4.340 -0.003 0.000 0.271 207 L C -1.639 175.117 176.870 -0.189 0.000 1.167 207 L CA -1.380 53.387 54.840 -0.121 0.000 0.917 207 L CB -0.462 41.538 42.059 -0.097 0.000 1.187 207 L HN 0.290 nan 8.230 nan 0.000 0.482 208 P HA -0.101 nan 4.420 nan 0.000 0.271 208 P C 0.564 177.606 177.300 -0.430 0.000 1.233 208 P CA -0.102 62.712 63.100 -0.477 0.000 0.795 208 P CB 0.567 31.644 31.700 -1.039 0.000 0.936 209 E N 0.282 120.290 120.200 -0.320 0.000 2.107 209 E HA -0.206 4.142 4.350 -0.003 0.000 0.191 209 E C 1.389 177.916 176.600 -0.121 0.000 0.982 209 E CA 0.852 57.161 56.400 -0.152 0.000 0.809 209 E CB -0.347 29.328 29.700 -0.041 0.000 0.756 209 E HN 0.589 nan 8.360 nan 0.000 0.459 210 Y N -0.824 119.461 120.300 -0.026 0.000 2.616 210 Y HA 0.093 4.642 4.550 -0.003 0.000 0.296 210 Y C 1.502 177.374 175.900 -0.046 0.000 1.154 210 Y CA 0.320 58.393 58.100 -0.045 0.000 1.325 210 Y CB -0.287 38.133 38.460 -0.067 0.000 1.007 210 Y HN -0.001 nan 8.280 nan 0.000 0.542 211 L N -1.154 119.957 121.223 -0.188 0.000 2.470 211 L HA 0.073 4.411 4.340 -0.003 0.000 0.219 211 L C 1.882 178.710 176.870 -0.071 0.000 1.071 211 L CA 0.017 54.805 54.840 -0.087 0.000 0.850 211 L CB -0.162 41.792 42.059 -0.175 0.000 1.040 211 L HN 0.203 nan 8.230 nan 0.000 0.475 212 L N 0.687 121.851 121.223 -0.099 0.000 2.043 212 L HA -0.246 4.092 4.340 -0.003 0.000 0.212 212 L C 2.524 179.379 176.870 -0.026 0.000 1.075 212 L CA 1.804 56.608 54.840 -0.060 0.000 0.752 212 L CB -0.480 41.542 42.059 -0.063 0.000 0.891 212 L HN 0.090 nan 8.230 nan 0.000 0.432 213 K N -0.345 120.048 120.400 -0.012 0.000 2.009 213 K HA -0.158 4.161 4.320 -0.003 0.000 0.210 213 K C 1.967 178.573 176.600 0.009 0.000 1.049 213 K CA 1.316 57.606 56.287 0.005 0.000 0.929 213 K CB -0.168 32.342 32.500 0.017 0.000 0.714 213 K HN 0.002 nan 8.250 nan 0.000 0.440 214 K N 0.261 120.667 120.400 0.011 0.000 2.366 214 K HA -0.118 4.201 4.320 -0.003 0.000 0.202 214 K C 0.333 176.946 176.600 0.021 0.000 1.045 214 K CA 0.907 57.203 56.287 0.014 0.000 0.934 214 K CB -0.404 32.104 32.500 0.012 0.000 0.746 214 K HN 0.278 nan 8.250 nan 0.000 0.470 215 I N 1.025 121.603 120.570 0.014 0.000 2.412 215 I HA 0.071 4.239 4.170 -0.003 0.000 0.296 215 I C -0.136 175.996 176.117 0.026 0.000 0.987 215 I CA -0.383 60.931 61.300 0.022 0.000 1.180 215 I CB 1.954 39.955 38.000 0.001 0.000 1.340 215 I HN -0.246 nan 8.210 nan 0.000 0.455 216 T N 5.087 119.670 114.554 0.047 0.000 2.772 216 T HA 0.243 4.591 4.350 -0.003 0.000 0.288 216 T C -0.121 174.596 174.700 0.028 0.000 0.994 216 T CA -0.462 61.665 62.100 0.045 0.000 0.951 216 T CB 0.258 69.171 68.868 0.076 0.000 0.933 216 T HN 0.598 nan 8.240 nan 0.000 0.447 217 N N 3.979 122.686 118.700 0.012 0.000 2.642 217 N HA -0.198 4.540 4.740 -0.003 0.000 0.269 217 N C 0.221 175.720 175.510 -0.019 0.000 1.073 217 N CA 0.260 53.309 53.050 -0.002 0.000 0.748 217 N CB -0.973 37.517 38.487 0.004 0.000 0.894 217 N HN 0.765 nan 8.380 nan 0.000 0.548 218 N N -1.474 117.213 118.700 -0.022 0.000 2.701 218 N HA -0.228 4.511 4.740 -0.003 0.000 0.252 218 N C -0.987 174.486 175.510 -0.062 0.000 1.002 218 N CA 1.240 54.269 53.050 -0.036 0.000 0.758 218 N CB -1.073 37.394 38.487 -0.032 0.000 0.937 218 N HN 0.567 nan 8.380 nan 0.000 0.538 219 C N -0.539 118.717 119.300 -0.073 0.000 2.712 219 C HA 0.761 5.219 4.460 -0.003 0.000 0.308 219 C C 0.119 175.007 174.990 -0.169 0.000 1.201 219 C CA -0.708 58.215 59.018 -0.159 0.000 1.554 219 C CB 2.348 29.964 27.740 -0.207 0.000 2.117 219 C HN 0.118 nan 8.230 nan 0.000 0.480 220 V N 2.217 121.963 119.914 -0.281 0.000 2.888 220 V HA 0.584 4.702 4.120 -0.003 0.000 0.309 220 V C -1.245 174.646 176.094 -0.337 0.000 1.114 220 V CA -0.457 61.738 62.300 -0.176 0.000 0.940 220 V CB 1.909 33.686 31.823 -0.077 0.000 1.021 220 V HN 0.698 nan 8.190 nan 0.000 0.426 221 F N 5.231 125.156 119.950 -0.042 0.000 2.436 221 F HA 0.747 5.273 4.527 -0.003 0.000 0.340 221 F C 0.047 175.804 175.800 -0.072 0.000 1.113 221 F CA -0.894 57.077 58.000 -0.049 0.000 1.022 221 F CB 1.760 40.735 39.000 -0.042 0.000 1.128 221 F HN 0.328 nan 8.300 nan 0.000 0.466 222 I N 1.385 121.992 120.570 0.063 0.000 2.582 222 I HA 0.625 4.794 4.170 -0.003 0.000 0.292 222 I C -1.318 174.770 176.117 -0.048 0.000 1.066 222 I CA -1.225 60.059 61.300 -0.027 0.000 1.053 222 I CB 1.209 39.161 38.000 -0.080 0.000 1.241 222 I HN 0.242 nan 8.210 nan 0.000 0.421 223 V N 6.400 126.251 119.914 -0.106 0.000 2.333 223 V HA 0.402 4.520 4.120 -0.003 0.000 0.274 223 V C 0.320 176.461 176.094 0.078 0.000 1.028 223 V CA -0.477 61.797 62.300 -0.044 0.000 0.851 223 V CB 1.063 32.790 31.823 -0.159 0.000 1.000 223 V HN 0.466 nan 8.190 nan 0.000 0.456 224 I N 4.969 125.560 120.570 0.035 0.000 2.336 224 I HA 0.458 4.627 4.170 -0.003 0.000 0.292 224 I C 0.298 176.549 176.117 0.224 0.000 0.991 224 I CA -0.224 61.057 61.300 -0.031 0.000 1.227 224 I CB 0.740 38.401 38.000 -0.565 0.000 1.366 224 I HN 0.638 nan 8.210 nan 0.000 0.466 225 H N 5.317 124.370 119.070 -0.028 0.000 2.529 225 H HA 0.620 5.174 4.556 -0.003 0.000 0.348 225 H C -0.383 174.977 175.328 0.054 0.000 1.152 225 H CA -1.051 55.020 56.048 0.040 0.000 1.202 225 H CB 2.608 32.402 29.762 0.054 0.000 1.562 225 H HN 0.359 nan 8.280 nan 0.000 0.515 226 R N 1.987 122.606 120.500 0.197 0.000 2.680 226 R HA 0.224 4.562 4.340 -0.003 0.000 0.278 226 R C -0.701 175.668 176.300 0.114 0.000 1.582 226 R CA 0.093 56.282 56.100 0.147 0.000 1.177 226 R CB 0.044 30.428 30.300 0.140 0.000 1.232 226 R HN 0.945 nan 8.270 nan 0.000 0.528 227 S N 0.793 116.559 115.700 0.110 0.000 3.973 227 S HA -0.251 4.217 4.470 -0.003 0.000 0.627 227 S C 0.751 175.400 174.600 0.082 0.000 2.126 227 S CA 1.072 59.322 58.200 0.084 0.000 4.069 227 S CB -1.510 61.729 63.200 0.065 0.000 0.220 227 S HN 0.627 nan 8.310 nan 0.000 0.739 228 T N 2.221 116.808 114.554 0.055 0.000 3.169 228 T HA 0.317 4.665 4.350 -0.003 0.000 0.250 228 T C 0.200 174.910 174.700 0.017 0.000 1.111 228 T CA 0.879 63.002 62.100 0.037 0.000 1.010 228 T CB -0.287 68.597 68.868 0.027 0.000 0.984 228 T HN 0.594 nan 8.240 nan 0.000 0.537 229 T N 3.220 117.792 114.554 0.030 0.000 2.758 229 T HA 0.516 4.864 4.350 -0.003 0.000 0.285 229 T C -0.177 174.528 174.700 0.007 0.000 0.981 229 T CA -0.670 61.442 62.100 0.020 0.000 0.965 229 T CB 0.995 69.887 68.868 0.041 0.000 0.927 229 T HN 0.269 nan 8.240 nan 0.000 0.448 230 S N 3.107 118.770 115.700 -0.062 0.000 2.548 230 S HA 0.735 5.203 4.470 -0.003 0.000 0.276 230 S C -1.229 173.344 174.600 -0.045 0.000 1.129 230 S CA -1.040 57.069 58.200 -0.153 0.000 0.931 230 S CB 2.328 65.139 63.200 -0.648 0.000 1.068 230 S HN 0.500 nan 8.310 nan 0.000 0.480 231 Q N 0.766 120.602 119.800 0.059 0.000 2.413 231 Q HA 0.692 5.031 4.340 -0.003 0.000 0.276 231 Q C -1.341 174.721 176.000 0.103 0.000 1.099 231 Q CA -0.225 55.647 55.803 0.115 0.000 0.814 231 Q CB 2.304 31.189 28.738 0.246 0.000 1.379 231 Q HN 0.779 nan 8.270 nan 0.000 0.436 232 T N 3.275 117.885 114.554 0.093 0.000 2.771 232 T HA 0.700 5.049 4.350 -0.003 0.000 0.281 232 T C -0.686 174.097 174.700 0.139 0.000 0.982 232 T CA -0.227 61.929 62.100 0.093 0.000 0.978 232 T CB 0.296 69.209 68.868 0.074 0.000 0.930 232 T HN 0.442 nan 8.240 nan 0.000 0.447 233 I N 2.394 123.039 120.570 0.126 0.000 2.785 233 I HA 0.495 4.663 4.170 -0.003 0.000 0.302 233 I C -0.090 176.045 176.117 0.030 0.000 1.069 233 I CA -0.847 60.514 61.300 0.102 0.000 1.045 233 I CB 2.062 40.120 38.000 0.097 0.000 1.236 233 I HN 0.368 nan 8.210 nan 0.000 0.429 234 K N 4.472 124.819 120.400 -0.088 0.000 2.425 234 K HA 0.760 5.078 4.320 -0.003 0.000 0.259 234 K C -1.470 174.959 176.600 -0.286 0.000 0.978 234 K CA -0.426 55.611 56.287 -0.417 0.000 0.883 234 K CB 1.062 33.203 32.500 -0.598 0.000 1.110 234 K HN 0.516 nan 8.250 nan 0.000 0.436 235 V N 0.929 120.679 119.914 -0.274 0.000 3.166 235 V HA 0.492 4.611 4.120 -0.003 0.000 0.317 235 V C 0.003 175.991 176.094 -0.176 0.000 1.136 235 V CA -1.178 61.017 62.300 -0.176 0.000 1.035 235 V CB 1.496 33.243 31.823 -0.127 0.000 1.110 235 V HN 0.849 nan 8.190 nan 0.000 0.450 236 S N 0.490 116.120 115.700 -0.116 0.000 2.562 236 S HA 0.547 5.015 4.470 -0.003 0.000 0.275 236 S C 0.954 175.511 174.600 -0.073 0.000 1.281 236 S CA 0.062 58.206 58.200 -0.092 0.000 1.045 236 S CB 1.343 64.505 63.200 -0.063 0.000 0.962 236 S HN 1.533 nan 8.310 nan 0.000 0.503 237 A N 1.556 124.339 122.820 -0.061 0.000 2.259 237 A HA 0.049 4.367 4.320 -0.003 0.000 0.212 237 A C 0.616 178.193 177.584 -0.013 0.000 1.178 237 A CA 1.127 53.142 52.037 -0.037 0.000 0.734 237 A CB -0.761 18.221 19.000 -0.031 0.000 0.774 237 A HN 0.897 nan 8.150 nan 0.000 0.481 238 D N -0.685 119.705 120.400 -0.017 0.000 2.469 238 D HA 0.098 4.736 4.640 -0.003 0.000 0.213 238 D C -0.543 175.760 176.300 0.004 0.000 1.135 238 D CA -0.352 53.649 54.000 0.001 0.000 0.834 238 D CB 0.364 41.161 40.800 -0.005 0.000 1.009 238 D HN 0.248 nan 8.370 nan 0.000 0.507 239 D N 1.492 121.884 120.400 -0.013 0.000 2.345 239 D HA 0.098 4.736 4.640 -0.003 0.000 0.247 239 D C 0.707 177.006 176.300 -0.001 0.000 1.108 239 D CA 0.351 54.341 54.000 -0.017 0.000 0.894 239 D CB 1.217 41.991 40.800 -0.044 0.000 1.203 239 D HN 0.079 nan 8.370 nan 0.000 0.430 240 T N -1.043 113.515 114.554 0.007 0.000 2.909 240 T HA 0.254 4.602 4.350 -0.003 0.000 0.289 240 T C -1.937 172.752 174.700 -0.019 0.000 1.005 240 T CA -1.755 60.363 62.100 0.031 0.000 1.084 240 T CB 1.602 70.496 68.868 0.044 0.000 0.975 240 T HN -0.038 nan 8.240 nan 0.000 0.509 241 P HA -0.066 nan 4.420 nan 0.000 0.221 241 P C 1.526 178.781 177.300 -0.074 0.000 1.141 241 P CA 1.169 64.210 63.100 -0.097 0.000 0.794 241 P CB -0.230 31.412 31.700 -0.097 0.000 0.764 242 G N -1.678 107.101 108.800 -0.036 0.000 2.441 242 G HA2 -0.122 3.836 3.960 -0.003 0.000 0.212 242 G HA3 -0.122 3.836 3.960 -0.003 0.000 0.212 242 G C 1.319 176.180 174.900 -0.064 0.000 1.164 242 G CA 0.636 45.713 45.100 -0.038 0.000 0.811 242 G HN 0.155 nan 8.290 nan 0.000 0.535 243 T N 1.499 116.025 114.554 -0.046 0.000 3.098 243 T HA 0.057 4.406 4.350 -0.003 0.000 0.266 243 T C 2.133 176.789 174.700 -0.073 0.000 1.145 243 T CA 0.517 62.589 62.100 -0.048 0.000 1.092 243 T CB -0.033 68.817 68.868 -0.030 0.000 0.908 243 T HN 0.272 nan 8.240 nan 0.000 0.526 244 I N -0.016 120.494 120.570 -0.100 0.000 2.512 244 I HA 0.047 4.216 4.170 -0.003 0.000 0.247 244 I C 2.143 178.160 176.117 -0.165 0.000 1.094 244 I CA 0.671 61.898 61.300 -0.121 0.000 1.427 244 I CB -0.263 37.648 38.000 -0.148 0.000 1.149 244 I HN 0.141 nan 8.210 nan 0.000 0.438 245 L N 0.611 121.689 121.223 -0.242 0.000 2.046 245 L HA -0.243 4.095 4.340 -0.003 0.000 0.208 245 L C 2.737 179.182 176.870 -0.710 0.000 1.077 245 L CA 1.560 56.109 54.840 -0.484 0.000 0.747 245 L CB -0.642 41.167 42.059 -0.417 0.000 0.896 245 L HN 0.389 nan 8.230 nan 0.000 0.432 246 Q N -0.362 119.222 119.800 -0.360 0.000 2.084 246 Q HA -0.244 4.095 4.340 -0.003 0.000 0.202 246 Q C 2.284 178.217 176.000 -0.112 0.000 0.978 246 Q CA 2.041 57.726 55.803 -0.198 0.000 0.844 246 Q CB -0.064 28.636 28.738 -0.063 0.000 0.898 246 Q HN 0.328 nan 8.270 nan 0.000 0.426 247 S N -0.864 114.786 115.700 -0.083 0.000 2.515 247 S HA -0.060 4.408 4.470 -0.003 0.000 0.231 247 S C 1.198 175.821 174.600 0.037 0.000 0.987 247 S CA 0.256 58.445 58.200 -0.018 0.000 0.936 247 S CB -0.234 62.956 63.200 -0.018 0.000 0.766 247 S HN 0.534 nan 8.310 nan 0.000 0.528 248 F N 0.657 120.494 119.950 -0.190 0.000 2.530 248 F HA 0.381 4.907 4.527 -0.003 0.000 0.292 248 F C 1.205 177.050 175.800 0.074 0.000 1.109 248 F CA 0.262 58.195 58.000 -0.111 0.000 1.450 248 F CB -0.206 38.678 39.000 -0.195 0.000 1.114 248 F HN 0.287 nan 8.300 nan 0.000 0.560 249 F N -0.109 119.801 119.950 -0.067 0.000 2.615 249 F HA -0.094 4.431 4.527 -0.002 0.000 0.297 249 F C 2.390 178.103 175.800 -0.144 0.000 1.124 249 F CA 0.750 58.657 58.000 -0.155 0.000 1.451 249 F CB -0.388 38.578 39.000 -0.056 0.000 1.103 249 F HN 0.052 nan 8.300 nan 0.000 0.569 250 T N -1.773 112.822 114.554 0.069 0.000 2.814 250 T HA -0.090 4.259 4.350 -0.003 0.000 0.254 250 T C 1.862 176.542 174.700 -0.033 0.000 1.037 250 T CA 0.658 62.768 62.100 0.018 0.000 1.143 250 T CB -0.293 68.585 68.868 0.017 0.000 0.866 250 T HN 0.098 nan 8.240 nan 0.000 0.431 251 K N 0.483 120.851 120.400 -0.054 0.000 1.978 251 K HA 0.006 4.324 4.320 -0.003 0.000 0.214 251 K C 1.301 177.828 176.600 -0.121 0.000 1.049 251 K CA 0.991 57.237 56.287 -0.068 0.000 0.939 251 K CB -0.249 32.227 32.500 -0.040 0.000 0.721 251 K HN 0.369 nan 8.250 nan 0.000 0.441 267 E N -0.230 120.033 120.200 0.105 0.000 2.905 267 E HA 0.262 4.610 4.350 -0.003 0.000 0.197 267 E C 0.222 176.932 176.600 0.183 0.000 1.016 267 E CA -0.075 56.360 56.400 0.059 0.000 1.307 267 E CB 1.176 30.892 29.700 0.026 0.000 1.255 267 E HN -0.010 nan 8.360 nan 0.000 0.527 268 R N 1.804 122.461 120.500 0.261 0.000 3.782 268 R HA 0.093 4.432 4.340 -0.003 0.000 0.291 268 R C -0.468 176.023 176.300 0.317 0.000 1.539 268 R CA 0.222 56.552 56.100 0.385 0.000 1.345 268 R CB -0.201 30.265 30.300 0.278 0.000 1.408 268 R HN -0.029 nan 8.270 nan 0.000 0.654 269 D N 0.218 120.845 120.400 0.378 0.000 2.738 269 D HA 0.106 4.744 4.640 -0.003 0.000 0.246 269 D C -0.836 175.479 176.300 0.025 0.000 1.270 269 D CA 0.175 54.272 54.000 0.162 0.000 0.833 269 D CB 0.034 40.854 40.800 0.032 0.000 1.040 269 D HN 0.103 nan 8.370 nan 0.000 0.487 270 F N -0.742 119.293 119.950 0.142 0.000 2.679 270 F HA 0.569 5.094 4.527 -0.002 0.000 0.341 270 F C 0.064 175.930 175.800 0.109 0.000 1.095 270 F CA -1.093 56.990 58.000 0.139 0.000 1.004 270 F CB 1.539 40.665 39.000 0.211 0.000 1.388 270 F HN -0.308 nan 8.300 nan 0.000 0.505 271 V N 1.386 121.478 119.914 0.297 0.000 3.147 271 V HA 0.506 4.625 4.120 -0.003 0.000 0.299 271 V C -1.806 174.368 176.094 0.134 0.000 1.302 271 V CA -0.896 61.511 62.300 0.178 0.000 1.015 271 V CB 2.365 34.283 31.823 0.159 0.000 1.086 271 V HN 0.585 nan 8.190 nan 0.000 0.437 272 L N 5.555 126.806 121.223 0.048 0.000 2.278 272 L HA 0.632 4.970 4.340 -0.003 0.000 0.287 272 L C 0.234 177.053 176.870 -0.085 0.000 1.072 272 L CA -0.082 54.728 54.840 -0.050 0.000 0.819 272 L CB 0.955 42.935 42.059 -0.130 0.000 1.176 272 L HN 0.632 nan 8.230 nan 0.000 0.435 273 R N 2.287 122.681 120.500 -0.177 0.000 2.854 273 R HA 0.610 4.948 4.340 -0.003 0.000 0.271 273 R C -1.179 174.893 176.300 -0.380 0.000 0.996 273 R CA -0.771 55.090 56.100 -0.398 0.000 0.961 273 R CB 2.226 32.178 30.300 -0.581 0.000 1.182 273 R HN 0.309 nan 8.270 nan 0.000 0.479 274 V N 2.983 122.597 119.914 -0.500 0.000 2.488 274 V HA 0.078 4.196 4.120 -0.003 0.000 0.277 274 V C 0.236 176.078 176.094 -0.420 0.000 1.046 274 V CA -0.586 61.394 62.300 -0.533 0.000 0.986 274 V CB 0.836 32.063 31.823 -0.994 0.000 0.989 274 V HN 0.814 nan 8.190 nan 0.000 0.475 275 C N 5.288 124.412 119.300 -0.294 0.000 2.419 275 C HA 0.337 4.795 4.460 -0.003 0.000 0.398 275 C C 1.630 176.495 174.990 -0.208 0.000 1.498 275 C CA 0.819 59.698 59.018 -0.231 0.000 1.494 275 C CB -1.493 26.117 27.740 -0.216 0.000 2.485 275 C HN 1.399 nan 8.230 nan 0.000 0.608 276 G N 3.824 112.514 108.800 -0.185 0.000 2.160 276 G HA2 -0.232 3.727 3.960 -0.003 0.000 0.251 276 G HA3 -0.232 3.727 3.960 -0.003 0.000 0.251 276 G C -0.128 174.659 174.900 -0.187 0.000 1.008 276 G CA 0.267 45.276 45.100 -0.151 0.000 0.724 276 G HN 0.836 nan 8.290 nan 0.000 0.514 277 R N -0.732 119.609 120.500 -0.266 0.000 2.604 277 R HA 0.267 4.605 4.340 -0.003 0.000 0.270 277 R C -1.480 174.626 176.300 -0.323 0.000 1.052 277 R CA -0.981 54.947 56.100 -0.287 0.000 0.902 277 R CB 1.088 31.145 30.300 -0.405 0.000 1.233 277 R HN 0.051 nan 8.270 nan 0.000 0.455 278 D N 2.377 122.649 120.400 -0.214 0.000 2.713 278 D HA 0.060 4.699 4.640 -0.003 0.000 0.229 278 D C -0.730 175.503 176.300 -0.111 0.000 1.136 278 D CA 0.555 54.457 54.000 -0.163 0.000 1.010 278 D CB 0.650 41.466 40.800 0.025 0.000 1.084 278 D HN 0.264 nan 8.370 nan 0.000 0.495 279 E N 1.121 121.086 120.200 -0.392 0.000 2.283 279 E HA 0.211 4.559 4.350 -0.003 0.000 0.258 279 E C -1.531 174.825 176.600 -0.407 0.000 0.893 279 E CA -0.645 55.600 56.400 -0.259 0.000 0.798 279 E CB 0.677 30.217 29.700 -0.268 0.000 1.242 279 E HN 0.030 nan 8.360 nan 0.000 0.414 280 Y N 3.202 123.385 120.300 -0.195 0.000 2.360 280 Y HA 0.417 4.966 4.550 -0.003 0.000 0.337 280 Y C 0.026 175.907 175.900 -0.032 0.000 1.039 280 Y CA -0.966 57.053 58.100 -0.135 0.000 1.109 280 Y CB 1.239 39.616 38.460 -0.138 0.000 1.201 280 Y HN 0.387 nan 8.280 nan 0.000 0.458 281 L N 5.552 126.795 121.223 0.033 0.000 2.315 281 L HA 0.515 4.853 4.340 -0.003 0.000 0.278 281 L C -0.516 176.338 176.870 -0.027 0.000 1.088 281 L CA -0.608 54.139 54.840 -0.155 0.000 0.899 281 L CB -0.412 41.307 42.059 -0.568 0.000 1.277 281 L HN 0.487 nan 8.230 nan 0.000 0.431 282 V N -0.736 119.346 119.914 0.280 0.000 3.167 282 V HA 1.064 5.182 4.120 -0.003 0.000 0.310 282 V C 0.183 176.458 176.094 0.302 0.000 1.207 282 V CA -0.387 62.040 62.300 0.211 0.000 1.059 282 V CB 1.440 33.332 31.823 0.116 0.000 1.079 282 V HN 0.762 nan 8.190 nan 0.000 0.446 283 G N 0.541 109.448 108.800 0.178 0.000 2.663 283 G HA2 -0.022 3.936 3.960 -0.003 0.000 0.686 283 G HA3 -0.022 3.936 3.960 -0.003 0.000 0.686 283 G C -0.626 174.362 174.900 0.146 0.000 1.288 283 G CA -0.266 44.918 45.100 0.140 0.000 0.836 283 G HN 1.070 nan 8.290 nan 0.000 0.584 284 E N 1.306 121.560 120.200 0.090 0.000 1.842 284 E HA 0.368 4.716 4.350 -0.003 0.000 0.278 284 E C 0.214 176.860 176.600 0.077 0.000 1.171 284 E CA 0.576 57.022 56.400 0.076 0.000 1.127 284 E CB -0.055 29.673 29.700 0.047 0.000 1.100 284 E HN 0.560 nan 8.360 nan 0.000 0.456 285 T N 1.603 116.241 114.554 0.141 0.000 2.956 285 T HA 0.338 4.686 4.350 -0.003 0.000 0.312 285 T C -2.696 172.160 174.700 0.260 0.000 1.151 285 T CA -1.579 60.596 62.100 0.125 0.000 1.024 285 T CB 2.204 71.040 68.868 -0.055 0.000 1.140 285 T HN -0.026 nan 8.240 nan 0.000 0.473 286 P HA 0.128 nan 4.420 nan 0.000 0.268 286 P C 1.196 178.674 177.300 0.297 0.000 1.204 286 P CA -0.448 62.747 63.100 0.158 0.000 0.768 286 P CB 0.201 31.949 31.700 0.080 0.000 0.842 287 I N 3.266 123.946 120.570 0.184 0.000 2.399 287 I HA -0.294 3.874 4.170 -0.003 0.000 0.254 287 I C 1.597 177.845 176.117 0.218 0.000 1.146 287 I CA 1.629 63.000 61.300 0.119 0.000 1.412 287 I CB -1.207 36.749 38.000 -0.074 0.000 1.076 287 I HN 0.295 nan 8.210 nan 0.000 0.432 288 K N 0.262 120.745 120.400 0.137 0.000 2.439 288 K HA -0.015 4.304 4.320 -0.003 0.000 0.197 288 K C 0.872 177.532 176.600 0.100 0.000 1.041 288 K CA 1.101 57.440 56.287 0.086 0.000 0.970 288 K CB -0.559 31.958 32.500 0.028 0.000 0.773 288 K HN 0.322 nan 8.250 nan 0.000 0.479 289 N N 0.387 119.176 118.700 0.149 0.000 2.314 289 N HA 0.103 4.841 4.740 -0.003 0.000 0.200 289 N C -1.061 174.416 175.510 -0.055 0.000 1.135 289 N CA 0.139 53.203 53.050 0.023 0.000 0.835 289 N CB 0.088 38.549 38.487 -0.044 0.000 0.989 289 N HN 0.080 nan 8.380 nan 0.000 0.478 290 F N 1.123 121.055 119.950 -0.030 0.000 2.410 290 F HA 0.267 4.792 4.527 -0.003 0.000 0.349 290 F C 1.775 177.501 175.800 -0.124 0.000 1.117 290 F CA -0.717 57.259 58.000 -0.039 0.000 1.104 290 F CB 1.373 40.379 39.000 0.011 0.000 1.122 290 F HN -0.192 nan 8.300 nan 0.000 0.483 291 Q N 3.179 122.875 119.800 -0.174 0.000 2.077 291 Q HA -0.288 4.050 4.340 -0.003 0.000 0.206 291 Q C 2.246 178.102 176.000 -0.240 0.000 0.989 291 Q CA 1.744 57.292 55.803 -0.425 0.000 0.853 291 Q CB -0.530 27.438 28.738 -1.282 0.000 0.907 291 Q HN 0.880 nan 8.270 nan 0.000 0.418 292 W N 1.153 122.296 121.300 -0.263 0.000 2.338 292 W HA -0.199 4.460 4.660 -0.002 0.000 0.304 292 W C 1.797 178.264 176.519 -0.086 0.000 1.212 292 W CA 1.519 58.775 57.345 -0.149 0.000 1.264 292 W CB 0.026 29.443 29.460 -0.071 0.000 1.142 292 W HN -0.029 nan 8.180 nan 0.000 0.512 293 V N 1.558 121.505 119.914 0.055 0.000 2.255 293 V HA -0.314 3.804 4.120 -0.003 0.000 0.247 293 V C 2.519 178.546 176.094 -0.112 0.000 1.051 293 V CA 2.293 64.578 62.300 -0.024 0.000 1.018 293 V CB -0.989 30.867 31.823 0.055 0.000 0.641 293 V HN 0.136 nan 8.190 nan 0.000 0.445 294 R N -0.416 120.028 120.500 -0.093 0.000 2.148 294 R HA -0.178 4.160 4.340 -0.003 0.000 0.227 294 R C 2.380 178.594 176.300 -0.142 0.000 1.103 294 R CA 1.351 57.393 56.100 -0.096 0.000 0.983 294 R CB -0.287 29.966 30.300 -0.078 0.000 0.874 294 R HN 0.607 nan 8.270 nan 0.000 0.451 295 Q N 0.246 119.897 119.800 -0.248 0.000 2.123 295 Q HA -0.146 4.192 4.340 -0.003 0.000 0.199 295 Q C 1.988 177.773 176.000 -0.359 0.000 0.966 295 Q CA 1.371 56.986 55.803 -0.313 0.000 0.845 295 Q CB 0.084 28.552 28.738 -0.451 0.000 0.907 295 Q HN 0.385 nan 8.270 nan 0.000 0.439 296 C N 0.330 119.359 119.300 -0.453 0.000 2.446 296 C HA -0.091 4.368 4.460 -0.003 0.000 0.277 296 C C 2.598 177.480 174.990 -0.180 0.000 1.275 296 C CA 0.328 59.128 59.018 -0.363 0.000 1.727 296 C CB -1.077 26.451 27.740 -0.354 0.000 2.010 296 C HN 0.525 nan 8.230 nan 0.000 0.486 297 L N 0.987 122.131 121.223 -0.131 0.000 1.970 297 L HA -0.235 4.103 4.340 -0.003 0.000 0.212 297 L C 2.768 179.611 176.870 -0.046 0.000 1.071 297 L CA 1.873 56.676 54.840 -0.062 0.000 0.751 297 L CB -0.798 41.237 42.059 -0.040 0.000 0.889 297 L HN 0.381 nan 8.230 nan 0.000 0.432 298 K N 0.254 120.631 120.400 -0.040 0.000 2.044 298 K HA -0.206 4.113 4.320 -0.003 0.000 0.210 298 K C 1.444 178.005 176.600 -0.064 0.000 1.049 298 K CA 1.798 58.072 56.287 -0.020 0.000 0.927 298 K CB -0.094 32.398 32.500 -0.014 0.000 0.713 298 K HN 0.372 nan 8.250 nan 0.000 0.443 299 N N 0.177 118.821 118.700 -0.093 0.000 2.449 299 N HA -0.005 4.733 4.740 -0.003 0.000 0.191 299 N C 0.532 176.003 175.510 -0.066 0.000 1.161 299 N CA 0.942 53.940 53.050 -0.087 0.000 0.863 299 N CB 0.428 38.847 38.487 -0.113 0.000 0.980 299 N HN 0.442 nan 8.380 nan 0.000 0.458 300 G N 1.229 109.995 108.800 -0.057 0.000 2.361 300 G HA2 -0.300 3.659 3.960 -0.003 0.000 0.294 300 G HA3 -0.300 3.659 3.960 -0.003 0.000 0.294 300 G C -0.096 174.785 174.900 -0.032 0.000 1.004 300 G CA 0.495 45.573 45.100 -0.037 0.000 0.870 300 G HN 0.424 nan 8.290 nan 0.000 0.510 301 E N -0.283 119.887 120.200 -0.049 0.000 2.232 301 E HA 0.405 4.753 4.350 -0.003 0.000 0.265 301 E C 0.189 176.791 176.600 0.004 0.000 1.001 301 E CA -0.784 55.603 56.400 -0.022 0.000 0.870 301 E CB 1.135 30.806 29.700 -0.048 0.000 1.175 301 E HN 0.549 nan 8.360 nan 0.000 0.407 302 E N 0.995 121.245 120.200 0.083 0.000 2.366 302 E HA 0.169 4.517 4.350 -0.003 0.000 0.266 302 E C -0.618 176.071 176.600 0.148 0.000 1.051 302 E CA -0.337 56.123 56.400 0.101 0.000 0.884 302 E CB 0.668 30.485 29.700 0.196 0.000 1.006 302 E HN 0.210 nan 8.360 nan 0.000 0.417 303 I N 3.229 123.818 120.570 0.032 0.000 2.276 303 I HA 0.093 4.262 4.170 -0.003 0.000 0.290 303 I C -0.593 175.530 176.117 0.011 0.000 1.109 303 I CA -0.162 61.201 61.300 0.104 0.000 1.229 303 I CB -0.250 37.787 38.000 0.062 0.000 1.452 303 I HN 0.343 nan 8.210 nan 0.000 0.497 304 H N 6.246 125.376 119.070 0.101 0.000 2.594 304 H HA 0.601 5.155 4.556 -0.003 0.000 0.304 304 H C -0.446 174.789 175.328 -0.154 0.000 1.068 304 H CA -0.307 55.716 56.048 -0.042 0.000 1.308 304 H CB 0.636 30.323 29.762 -0.124 0.000 1.409 304 H HN 0.406 nan 8.280 nan 0.000 0.460 305 L N 2.874 124.029 121.223 -0.112 0.000 2.342 305 L HA 0.563 4.902 4.340 -0.003 0.000 0.271 305 L C -0.396 176.366 176.870 -0.181 0.000 1.008 305 L CA -1.222 53.518 54.840 -0.166 0.000 0.818 305 L CB 2.076 44.040 42.059 -0.158 0.000 1.296 305 L HN 0.321 nan 8.230 nan 0.000 0.427 306 V N 3.208 123.022 119.914 -0.167 0.000 2.555 306 V HA 0.394 4.513 4.120 -0.003 0.000 0.302 306 V C -0.612 175.467 176.094 -0.026 0.000 1.038 306 V CA -0.717 61.531 62.300 -0.085 0.000 0.887 306 V CB 2.047 33.816 31.823 -0.091 0.000 0.991 306 V HN 0.558 nan 8.190 nan 0.000 0.434 307 L N 8.161 129.413 121.223 0.049 0.000 2.312 307 L HA 0.496 4.834 4.340 -0.003 0.000 0.287 307 L C -0.191 176.837 176.870 0.262 0.000 1.091 307 L CA 0.385 55.313 54.840 0.147 0.000 0.846 307 L CB -0.056 42.094 42.059 0.153 0.000 1.219 307 L HN 0.854 nan 8.230 nan 0.000 0.439 308 D N 1.751 122.290 120.400 0.232 0.000 2.585 308 D HA 0.337 4.976 4.640 -0.003 0.000 0.254 308 D C -0.665 175.703 176.300 0.112 0.000 1.067 308 D CA -0.617 53.496 54.000 0.189 0.000 1.090 308 D CB 0.984 41.837 40.800 0.088 0.000 1.408 308 D HN 0.249 nan 8.370 nan 0.000 0.554 309 T N 1.215 115.751 114.554 -0.032 0.000 2.884 309 T HA 0.386 4.734 4.350 -0.003 0.000 0.298 309 T C -2.269 172.410 174.700 -0.035 0.000 0.998 309 T CA -0.628 61.379 62.100 -0.156 0.000 1.124 309 T CB 0.821 69.568 68.868 -0.201 0.000 0.931 309 T HN 0.208 nan 8.240 nan 0.000 0.531 310 P HA 0.190 nan 4.420 nan 0.000 0.271 310 P C -2.126 175.110 177.300 -0.106 0.000 1.220 310 P CA -1.160 61.893 63.100 -0.078 0.000 0.768 310 P CB -0.240 31.410 31.700 -0.083 0.000 0.848 311 P HA 0.004 nan 4.420 nan 0.000 0.269 311 P C -0.545 176.692 177.300 -0.105 0.000 1.209 311 P CA 0.162 63.191 63.100 -0.118 0.000 0.776 311 P CB 0.537 32.142 31.700 -0.158 0.000 0.876 312 D N 3.760 124.117 120.400 -0.072 0.000 2.336 312 D HA 0.073 4.711 4.640 -0.003 0.000 0.249 312 D C -1.079 175.193 176.300 -0.047 0.000 1.213 312 D CA -2.213 51.753 54.000 -0.057 0.000 0.870 312 D CB 0.477 41.249 40.800 -0.048 0.000 1.076 312 D HN 0.162 nan 8.370 nan 0.000 0.483 313 P HA -0.205 nan 4.420 nan 0.000 0.222 313 P C 0.895 178.194 177.300 -0.002 0.000 1.142 313 P CA 0.753 63.848 63.100 -0.009 0.000 0.788 313 P CB 0.124 31.826 31.700 0.004 0.000 0.767 314 A N -0.120 122.689 122.820 -0.017 0.000 2.121 314 A HA -0.064 4.254 4.320 -0.003 0.000 0.218 314 A C 2.231 179.801 177.584 -0.022 0.000 1.154 314 A CA 0.786 52.812 52.037 -0.019 0.000 0.679 314 A CB -1.331 17.654 19.000 -0.026 0.000 0.795 314 A HN 0.193 nan 8.150 nan 0.000 0.458 315 L N -0.639 120.568 121.223 -0.027 0.000 2.478 315 L HA -0.043 4.295 4.340 -0.003 0.000 0.223 315 L C 0.773 177.629 176.870 -0.023 0.000 1.140 315 L CA 0.580 55.400 54.840 -0.035 0.000 0.842 315 L CB -0.193 41.839 42.059 -0.045 0.000 0.953 315 L HN 0.267 nan 8.230 nan 0.000 0.452 316 D N -0.224 120.178 120.400 0.004 0.000 2.340 316 D HA -0.015 4.623 4.640 -0.003 0.000 0.217 316 D C 0.651 176.977 176.300 0.042 0.000 1.081 316 D CA 0.055 54.083 54.000 0.047 0.000 0.842 316 D CB 0.237 41.121 40.800 0.140 0.000 0.934 316 D HN 0.345 nan 8.370 nan 0.000 0.511 317 E N 1.227 121.431 120.200 0.007 0.000 2.653 317 E HA -0.038 4.311 4.350 -0.003 0.000 0.264 317 E C -0.586 176.005 176.600 -0.015 0.000 0.949 317 E CA 0.235 56.629 56.400 -0.010 0.000 0.953 317 E CB 0.766 30.451 29.700 -0.026 0.000 0.925 317 E HN -0.207 nan 8.360 nan 0.000 0.475 318 V N 5.747 125.645 119.914 -0.027 0.000 2.427 318 V HA 0.262 4.380 4.120 -0.003 0.000 0.286 318 V C 0.734 176.789 176.094 -0.064 0.000 1.034 318 V CA -0.515 61.765 62.300 -0.033 0.000 0.893 318 V CB 1.439 33.240 31.823 -0.037 0.000 0.982 318 V HN 0.739 nan 8.190 nan 0.000 0.452 319 R N 2.778 123.219 120.500 -0.098 0.000 2.861 319 R HA 0.103 4.442 4.340 -0.003 0.000 0.268 319 R C 0.410 176.620 176.300 -0.151 0.000 1.027 319 R CA -0.182 55.804 56.100 -0.190 0.000 1.163 319 R CB 0.423 30.466 30.300 -0.429 0.000 1.060 319 R HN 0.773 nan 8.270 nan 0.000 0.483 320 K N 1.523 121.827 120.400 -0.161 0.000 2.412 320 K HA 0.041 4.359 4.320 -0.003 0.000 0.281 320 K C -0.204 176.335 176.600 -0.102 0.000 1.027 320 K CA -0.202 56.018 56.287 -0.112 0.000 0.989 320 K CB 0.971 33.410 32.500 -0.103 0.000 0.935 320 K HN 0.356 nan 8.250 nan 0.000 0.475 358 D N 1.130 121.537 120.400 0.011 0.000 2.310 358 D HA -0.067 4.571 4.640 -0.003 0.000 0.212 358 D C 1.116 177.427 176.300 0.017 0.000 0.965 358 D CA 0.962 54.969 54.000 0.010 0.000 0.879 358 D CB 0.277 41.078 40.800 0.002 0.000 0.921 358 D HN 0.471 nan 8.370 nan 0.000 0.510 359 R N 1.395 121.904 120.500 0.017 0.000 2.538 359 R HA 0.019 4.358 4.340 -0.003 0.000 0.282 359 R C -0.232 176.097 176.300 0.049 0.000 1.009 359 R CA 0.067 56.176 56.100 0.016 0.000 1.063 359 R CB 0.285 30.585 30.300 -0.000 0.000 0.945 359 R HN -0.070 nan 8.270 nan 0.000 0.414 360 K N 4.195 124.624 120.400 0.049 0.000 2.382 360 K HA -0.027 4.291 4.320 -0.003 0.000 0.275 360 K C 0.101 176.791 176.600 0.150 0.000 1.009 360 K CA -0.026 56.323 56.287 0.103 0.000 0.970 360 K CB 0.127 32.678 32.500 0.085 0.000 0.934 360 K HN 0.458 nan 8.250 nan 0.000 0.479 361 F N 3.301 123.304 119.950 0.089 0.000 2.518 361 F HA 0.092 4.618 4.527 -0.003 0.000 0.359 361 F C 0.621 176.575 175.800 0.257 0.000 1.118 361 F CA 0.051 58.118 58.000 0.112 0.000 1.287 361 F CB 0.616 39.630 39.000 0.022 0.000 1.132 361 F HN 0.554 nan 8.300 nan 0.000 0.587 362 R N 4.699 124.770 120.500 -0.716 0.000 2.668 362 R HA 0.793 5.131 4.340 -0.003 0.000 0.272 362 R C -2.413 173.652 176.300 -0.392 0.000 1.019 362 R CA -1.116 54.823 56.100 -0.268 0.000 0.894 362 R CB 1.678 31.955 30.300 -0.038 0.000 1.228 362 R HN 0.616 nan 8.270 nan 0.000 0.460 363 V N 1.204 121.149 119.914 0.052 0.000 2.962 363 V HA 0.585 4.704 4.120 -0.003 0.000 0.313 363 V C -1.330 174.760 176.094 -0.007 0.000 1.099 363 V CA -0.909 61.426 62.300 0.058 0.000 0.971 363 V CB 2.339 34.263 31.823 0.169 0.000 1.028 363 V HN 0.867 nan 8.190 nan 0.000 0.430 364 K N 5.622 125.826 120.400 -0.326 0.000 2.307 364 K HA 0.561 4.879 4.320 -0.003 0.000 0.263 364 K C -1.179 175.234 176.600 -0.312 0.000 0.973 364 K CA -0.732 55.187 56.287 -0.613 0.000 0.846 364 K CB 1.255 32.913 32.500 -1.402 0.000 1.100 364 K HN 0.601 nan 8.250 nan 0.000 0.438 365 I N 6.446 126.891 120.570 -0.208 0.000 2.291 365 I HA 0.171 4.340 4.170 -0.003 0.000 0.290 365 I C 1.241 177.350 176.117 -0.013 0.000 1.050 365 I CA -0.104 61.143 61.300 -0.089 0.000 1.245 365 I CB 0.845 38.782 38.000 -0.104 0.000 1.405 365 I HN 0.738 nan 8.210 nan 0.000 0.478 366 R N 4.113 124.606 120.500 -0.011 0.000 2.066 366 R HA 0.299 4.638 4.340 -0.003 0.000 0.224 366 R C 0.912 177.286 176.300 0.123 0.000 1.122 366 R CA 0.502 56.613 56.100 0.019 0.000 0.974 366 R CB 0.151 30.433 30.300 -0.032 0.000 0.871 366 R HN 0.729 nan 8.270 nan 0.000 0.435 367 G N 0.958 109.850 108.800 0.153 0.000 2.328 367 G HA2 0.363 4.322 3.960 -0.003 0.000 0.295 367 G HA3 0.363 4.322 3.960 -0.003 0.000 0.295 367 G C -1.632 173.360 174.900 0.153 0.000 1.413 367 G CA -0.905 44.319 45.100 0.206 0.000 0.817 367 G HN 0.187 nan 8.290 nan 0.000 0.546 368 I N -1.923 118.742 120.570 0.158 0.000 2.569 368 I HA 0.836 5.005 4.170 -0.003 0.000 0.296 368 I C -1.661 174.463 176.117 0.012 0.000 1.028 368 I CA -0.997 60.356 61.300 0.088 0.000 1.082 368 I CB 2.513 40.617 38.000 0.174 0.000 1.264 368 I HN 0.259 nan 8.210 nan 0.000 0.429 369 D N 5.993 126.367 120.400 -0.043 0.000 2.629 369 D HA 0.646 5.285 4.640 -0.003 0.000 0.250 369 D C -1.080 175.166 176.300 -0.091 0.000 1.126 369 D CA -0.146 53.816 54.000 -0.063 0.000 0.852 369 D CB 2.988 43.754 40.800 -0.056 0.000 1.335 369 D HN 0.666 nan 8.370 nan 0.000 0.518 370 I N 3.085 123.591 120.570 -0.107 0.000 2.512 370 I HA 0.300 4.469 4.170 -0.003 0.000 0.287 370 I C -2.075 173.975 176.117 -0.112 0.000 1.069 370 I CA -2.508 58.716 61.300 -0.126 0.000 1.056 370 I CB 2.386 40.286 38.000 -0.167 0.000 1.229 370 I HN 0.200 nan 8.210 nan 0.000 0.429 371 P HA -0.136 nan 4.420 nan 0.000 0.215 371 P C -0.296 176.958 177.300 -0.076 0.000 1.163 371 P CA 1.191 64.250 63.100 -0.069 0.000 0.894 371 P CB 0.100 31.769 31.700 -0.052 0.000 0.791 372 V N -1.802 118.069 119.914 -0.072 0.000 3.102 372 V HA 0.482 4.600 4.120 -0.003 0.000 0.312 372 V C -0.116 175.929 176.094 -0.082 0.000 1.135 372 V CA -0.957 61.301 62.300 -0.069 0.000 1.022 372 V CB 2.069 33.872 31.823 -0.034 0.000 1.056 372 V HN -0.142 nan 8.190 nan 0.000 0.436 373 L N -0.119 121.050 121.223 -0.090 0.000 2.341 373 L HA 0.902 5.240 4.340 -0.003 0.000 0.254 373 L C -2.751 174.120 176.870 0.002 0.000 1.040 373 L CA -2.015 52.772 54.840 -0.088 0.000 0.837 373 L CB 0.594 42.468 42.059 -0.308 0.000 1.425 373 L HN 0.361 nan 8.230 nan 0.000 0.414 374 P HA 0.175 nan 4.420 nan 0.000 0.268 374 P C 0.300 177.639 177.300 0.066 0.000 1.208 374 P CA -0.525 62.633 63.100 0.097 0.000 0.777 374 P CB 0.595 32.393 31.700 0.163 0.000 0.875 375 R N 0.513 121.047 120.500 0.057 0.000 2.088 375 R HA -0.099 4.239 4.340 -0.003 0.000 0.232 375 R C 0.881 177.212 176.300 0.052 0.000 1.136 375 R CA 1.479 57.605 56.100 0.044 0.000 0.926 375 R CB -1.657 28.666 30.300 0.038 0.000 0.837 375 R HN 0.432 nan 8.270 nan 0.000 0.429 376 T N 0.387 114.979 114.554 0.062 0.000 2.761 376 T HA 0.188 4.537 4.350 -0.003 0.000 0.262 376 T C 0.503 175.257 174.700 0.090 0.000 0.968 376 T CA 0.343 62.483 62.100 0.068 0.000 1.235 376 T CB 0.326 69.235 68.868 0.069 0.000 0.925 376 T HN 0.464 nan 8.240 nan 0.000 0.545 377 A N 4.357 127.222 122.820 0.074 0.000 2.507 377 A HA 0.289 4.607 4.320 -0.003 0.000 0.270 377 A C 1.090 178.728 177.584 0.090 0.000 1.318 377 A CA -0.381 51.704 52.037 0.080 0.000 0.924 377 A CB 0.268 19.290 19.000 0.036 0.000 1.061 377 A HN 0.781 nan 8.150 nan 0.000 0.516 378 D N 0.550 121.007 120.400 0.095 0.000 2.615 378 D HA 0.237 4.875 4.640 -0.003 0.000 0.236 378 D C 0.210 176.583 176.300 0.120 0.000 1.233 378 D CA 0.077 54.132 54.000 0.092 0.000 0.829 378 D CB 0.365 41.205 40.800 0.067 0.000 1.024 378 D HN 0.404 nan 8.370 nan 0.000 0.490 379 L N -0.066 121.262 121.223 0.175 0.000 2.472 379 L HA 0.264 4.602 4.340 -0.003 0.000 0.260 379 L C 0.948 177.941 176.870 0.203 0.000 1.209 379 L CA 0.223 55.179 54.840 0.193 0.000 0.817 379 L CB 0.771 42.993 42.059 0.271 0.000 1.106 379 L HN -0.144 nan 8.230 nan 0.000 0.479 380 T N 0.793 115.431 114.554 0.141 0.000 2.900 380 T HA 0.686 5.034 4.350 -0.003 0.000 0.295 380 T C -1.037 173.725 174.700 0.103 0.000 1.044 380 T CA -0.513 61.681 62.100 0.157 0.000 0.995 380 T CB 1.478 70.442 68.868 0.159 0.000 1.072 380 T HN 0.527 nan 8.240 nan 0.000 0.473 381 V N 2.189 122.208 119.914 0.176 0.000 3.147 381 V HA 1.010 5.128 4.120 -0.003 0.000 0.306 381 V C -1.450 174.905 176.094 0.435 0.000 1.209 381 V CA -1.260 61.120 62.300 0.133 0.000 1.023 381 V CB 1.499 33.233 31.823 -0.149 0.000 1.059 381 V HN 1.023 nan 8.190 nan 0.000 0.435 382 F N 0.597 120.669 119.950 0.204 0.000 2.685 382 F HA 0.958 5.484 4.527 -0.003 0.000 0.315 382 F C -1.259 174.495 175.800 -0.076 0.000 1.126 382 F CA -1.412 56.633 58.000 0.075 0.000 0.950 382 F CB 1.526 40.550 39.000 0.040 0.000 1.360 382 F HN 0.424 nan 8.300 nan 0.000 0.469 383 V N 1.216 120.991 119.914 -0.231 0.000 2.370 383 V HA 0.382 4.500 4.120 -0.003 0.000 0.283 383 V C -0.552 175.566 176.094 0.039 0.000 1.023 383 V CA -0.609 61.565 62.300 -0.209 0.000 0.857 383 V CB 1.196 32.794 31.823 -0.375 0.000 0.985 383 V HN 0.847 nan 8.190 nan 0.000 0.443 384 E N 3.447 123.718 120.200 0.117 0.000 2.134 384 E HA 0.673 5.022 4.350 -0.003 0.000 0.278 384 E C -0.559 176.145 176.600 0.173 0.000 0.959 384 E CA -0.609 55.939 56.400 0.248 0.000 0.783 384 E CB 1.516 31.497 29.700 0.469 0.000 1.095 384 E HN 0.839 nan 8.360 nan 0.000 0.399 385 A N 5.281 128.217 122.820 0.194 0.000 2.287 385 A HA 0.473 4.791 4.320 -0.003 0.000 0.317 385 A C -0.836 176.988 177.584 0.399 0.000 1.220 385 A CA -0.832 51.379 52.037 0.290 0.000 0.835 385 A CB 0.687 19.930 19.000 0.405 0.000 1.180 385 A HN 0.683 nan 8.150 nan 0.000 0.500 386 N N 1.826 120.686 118.700 0.266 0.000 2.269 386 N HA 0.430 5.168 4.740 -0.003 0.000 0.304 386 N C -1.130 174.402 175.510 0.037 0.000 1.072 386 N CA -0.351 52.822 53.050 0.206 0.000 0.802 386 N CB 2.023 40.595 38.487 0.142 0.000 1.348 386 N HN 0.550 nan 8.380 nan 0.000 0.484 387 I N 2.273 122.817 120.570 -0.042 0.000 2.316 387 I HA 0.127 4.295 4.170 -0.003 0.000 0.286 387 I C 0.520 176.592 176.117 -0.075 0.000 1.107 387 I CA -0.276 60.908 61.300 -0.194 0.000 1.219 387 I CB 0.177 37.971 38.000 -0.344 0.000 1.455 387 I HN 0.186 nan 8.210 nan 0.000 0.498 388 Q N 4.477 124.251 119.800 -0.043 0.000 2.256 388 Q HA 0.478 4.816 4.340 -0.003 0.000 0.232 388 Q C -1.249 174.792 176.000 0.068 0.000 0.965 388 Q CA -0.575 55.229 55.803 0.001 0.000 0.908 388 Q CB 2.213 30.942 28.738 -0.016 0.000 1.209 388 Q HN 0.465 nan 8.270 nan 0.000 0.489 389 Y N -1.612 118.614 120.300 -0.124 0.000 2.264 389 Y HA 0.311 4.859 4.550 -0.003 0.000 0.315 389 Y C 0.061 175.842 175.900 -0.198 0.000 1.262 389 Y CA 0.485 58.487 58.100 -0.165 0.000 1.176 389 Y CB 0.935 39.304 38.460 -0.152 0.000 1.283 389 Y HN 0.794 nan 8.280 nan 0.000 0.405 390 G N 4.505 112.985 108.800 -0.534 0.000 2.198 390 G HA2 -0.331 3.627 3.960 -0.003 0.000 0.260 390 G HA3 -0.331 3.627 3.960 -0.003 0.000 0.260 390 G C 0.458 175.182 174.900 -0.295 0.000 1.025 390 G CA 1.363 46.178 45.100 -0.475 0.000 0.769 390 G HN 1.386 nan 8.290 nan 0.000 0.507 391 Q N -2.357 117.314 119.800 -0.215 0.000 2.324 391 Q HA -0.264 4.074 4.340 -0.003 0.000 0.200 391 Q C 0.594 176.524 176.000 -0.116 0.000 0.645 391 Q CA 2.594 58.301 55.803 -0.159 0.000 1.377 391 Q CB -1.271 27.350 28.738 -0.195 0.000 1.486 391 Q HN 1.412 nan 8.270 nan 0.000 0.796 392 Q N -0.212 119.536 119.800 -0.087 0.000 2.274 392 Q HA 0.601 4.939 4.340 -0.003 0.000 0.260 392 Q C -0.049 175.950 176.000 -0.002 0.000 0.974 392 Q CA -0.382 55.395 55.803 -0.044 0.000 0.876 392 Q CB 2.059 30.779 28.738 -0.030 0.000 1.297 392 Q HN 0.360 nan 8.270 nan 0.000 0.446 393 V N 2.025 121.943 119.914 0.008 0.000 2.432 393 V HA 0.191 4.309 4.120 -0.003 0.000 0.271 393 V C 0.749 176.865 176.094 0.036 0.000 1.046 393 V CA -0.409 61.909 62.300 0.030 0.000 0.945 393 V CB 0.330 32.182 31.823 0.049 0.000 0.992 393 V HN 0.974 nan 8.190 nan 0.000 0.471 394 L N 2.775 124.018 121.223 0.033 0.000 2.209 394 L HA 0.246 4.584 4.340 -0.003 0.000 0.207 394 L C 0.968 177.871 176.870 0.054 0.000 1.094 394 L CA 0.920 55.775 54.840 0.025 0.000 0.790 394 L CB 0.199 42.252 42.059 -0.011 0.000 0.932 394 L HN 0.775 nan 8.230 nan 0.000 0.447 395 C N -1.499 117.859 119.300 0.098 0.000 3.288 395 C HA 0.519 4.977 4.460 -0.003 0.000 0.318 395 C C -1.187 173.972 174.990 0.282 0.000 1.356 395 C CA -0.653 58.486 59.018 0.202 0.000 1.359 395 C CB 2.216 30.149 27.740 0.321 0.000 1.688 395 C HN 0.389 nan 8.230 nan 0.000 0.467 396 Q N 2.229 122.195 119.800 0.277 0.000 2.353 396 Q HA 0.692 5.030 4.340 -0.003 0.000 0.275 396 Q C -1.643 174.388 176.000 0.051 0.000 1.029 396 Q CA -0.577 55.363 55.803 0.230 0.000 0.848 396 Q CB 1.630 30.452 28.738 0.140 0.000 1.390 396 Q HN 0.772 nan 8.270 nan 0.000 0.401 397 R N 2.086 122.575 120.500 -0.018 0.000 2.707 397 R HA 0.648 4.987 4.340 -0.003 0.000 0.272 397 R C -0.979 175.282 176.300 -0.065 0.000 1.011 397 R CA -0.713 55.271 56.100 -0.194 0.000 0.893 397 R CB 2.418 32.358 30.300 -0.600 0.000 1.233 397 R HN 0.783 nan 8.270 nan 0.000 0.464 398 R N -0.548 119.901 120.500 -0.085 0.000 2.846 398 R HA 0.552 4.890 4.340 -0.003 0.000 0.263 398 R C -0.400 175.830 176.300 -0.116 0.000 1.080 398 R CA -0.764 55.320 56.100 -0.027 0.000 0.961 398 R CB 2.188 32.482 30.300 -0.010 0.000 1.231 398 R HN 0.809 nan 8.270 nan 0.000 0.465 399 T N -2.167 112.303 114.554 -0.139 0.000 2.927 399 T HA 0.394 4.742 4.350 -0.003 0.000 0.286 399 T C 0.076 174.714 174.700 -0.103 0.000 1.040 399 T CA -0.885 61.062 62.100 -0.255 0.000 1.010 399 T CB 1.434 69.833 68.868 -0.782 0.000 1.177 399 T HN 0.573 nan 8.240 nan 0.000 0.546 400 S N 0.850 116.578 115.700 0.047 0.000 2.549 400 S HA 0.376 4.845 4.470 -0.003 0.000 0.283 400 S C -2.690 172.124 174.600 0.356 0.000 1.320 400 S CA -0.928 57.377 58.200 0.174 0.000 1.058 400 S CB -0.438 62.898 63.200 0.227 0.000 0.882 400 S HN 0.591 nan 8.310 nan 0.000 0.498 401 P HA 0.335 nan 4.420 nan 0.000 0.271 401 P C -0.455 177.034 177.300 0.316 0.000 1.216 401 P CA -0.269 63.020 63.100 0.316 0.000 0.776 401 P CB 0.457 32.249 31.700 0.153 0.000 0.881 402 K N 2.842 123.453 120.400 0.351 0.000 2.495 402 K HA 0.492 4.810 4.320 -0.003 0.000 0.268 402 K C -2.725 173.979 176.600 0.173 0.000 1.008 402 K CA -2.264 54.138 56.287 0.193 0.000 0.882 402 K CB 1.802 34.331 32.500 0.048 0.000 1.443 402 K HN 0.275 nan 8.250 nan 0.000 0.447 403 P HA 0.001 nan 4.420 nan 0.000 0.271 403 P C -0.776 176.650 177.300 0.211 0.000 1.216 403 P CA -0.132 63.050 63.100 0.137 0.000 0.771 403 P CB 0.304 32.049 31.700 0.074 0.000 0.864 404 F N 3.625 123.606 119.950 0.052 0.000 2.462 404 F HA 0.276 4.801 4.527 -0.003 0.000 0.360 404 F C 0.665 176.476 175.800 0.019 0.000 1.134 404 F CA 0.078 58.109 58.000 0.052 0.000 1.148 404 F CB -0.381 38.668 39.000 0.083 0.000 1.147 404 F HN 0.206 nan 8.300 nan 0.000 0.550 405 T N 3.144 117.666 114.554 -0.053 0.000 2.910 405 T HA 0.281 4.629 4.350 -0.003 0.000 0.287 405 T C 0.984 175.520 174.700 -0.274 0.000 1.050 405 T CA -0.499 61.491 62.100 -0.185 0.000 1.011 405 T CB 1.202 70.013 68.868 -0.094 0.000 1.195 405 T HN 0.625 nan 8.240 nan 0.000 0.540 406 E N 0.266 120.333 120.200 -0.221 0.000 2.333 406 E HA -0.023 4.326 4.350 -0.003 0.000 0.198 406 E C 0.398 176.916 176.600 -0.136 0.000 1.007 406 E CA 0.630 56.914 56.400 -0.193 0.000 0.845 406 E CB 0.211 29.827 29.700 -0.139 0.000 0.766 406 E HN 0.561 nan 8.360 nan 0.000 0.507 407 E N 0.173 120.303 120.200 -0.117 0.000 2.311 407 E HA 0.282 4.630 4.350 -0.003 0.000 0.281 407 E C -1.831 174.697 176.600 -0.121 0.000 0.905 407 E CA -0.428 55.915 56.400 -0.096 0.000 0.778 407 E CB 1.939 31.587 29.700 -0.087 0.000 1.240 407 E HN -0.175 nan 8.360 nan 0.000 0.410 408 V N 5.740 125.571 119.914 -0.139 0.000 2.447 408 V HA 0.390 4.508 4.120 -0.003 0.000 0.292 408 V C -0.199 175.661 176.094 -0.390 0.000 1.021 408 V CA -0.652 61.454 62.300 -0.322 0.000 0.850 408 V CB 1.215 32.802 31.823 -0.394 0.000 1.005 408 V HN 0.659 nan 8.190 nan 0.000 0.426 409 L N 3.453 124.436 121.223 -0.399 0.000 2.344 409 L HA 0.544 4.883 4.340 -0.003 0.000 0.272 409 L C 0.330 176.981 176.870 -0.364 0.000 1.035 409 L CA -0.258 54.437 54.840 -0.243 0.000 0.807 409 L CB 2.010 43.988 42.059 -0.134 0.000 1.237 409 L HN 0.658 nan 8.230 nan 0.000 0.442 410 W N -0.166 121.126 121.300 -0.014 0.000 4.634 410 W HA 0.049 4.708 4.660 -0.003 0.000 0.188 410 W C 0.822 177.318 176.519 -0.037 0.000 1.087 410 W CA 0.071 57.409 57.345 -0.012 0.000 1.788 410 W CB 0.108 29.566 29.460 -0.004 0.000 0.651 410 W HN 0.741 nan 8.180 nan 0.000 0.982 411 N N 1.192 119.992 118.700 0.166 0.000 2.721 411 N HA -0.181 4.557 4.740 -0.003 0.000 0.249 411 N C -1.148 174.354 175.510 -0.013 0.000 1.072 411 N CA 0.656 53.712 53.050 0.010 0.000 0.710 411 N CB -1.119 37.373 38.487 0.009 0.000 0.993 411 N HN -0.202 nan 8.380 nan 0.000 0.547 412 V N 0.714 120.637 119.914 0.015 0.000 2.427 412 V HA 0.396 4.515 4.120 -0.003 0.000 0.286 412 V C 0.522 176.572 176.094 -0.073 0.000 1.034 412 V CA -0.620 61.693 62.300 0.020 0.000 0.893 412 V CB 0.847 32.710 31.823 0.067 0.000 0.982 412 V HN 0.250 nan 8.190 nan 0.000 0.452 413 W N 4.859 126.157 121.300 -0.003 0.000 2.311 413 W HA 0.552 5.210 4.660 -0.003 0.000 0.310 413 W C -0.198 176.278 176.519 -0.072 0.000 1.274 413 W CA -0.268 57.057 57.345 -0.032 0.000 1.215 413 W CB 0.813 30.254 29.460 -0.032 0.000 1.227 413 W HN 0.356 nan 8.180 nan 0.000 0.523 414 L N 3.888 125.215 121.223 0.173 0.000 2.294 414 L HA 0.321 4.659 4.340 -0.003 0.000 0.283 414 L C -0.032 176.820 176.870 -0.030 0.000 1.015 414 L CA -0.642 54.179 54.840 -0.031 0.000 0.831 414 L CB 1.271 43.243 42.059 -0.144 0.000 1.217 414 L HN 0.391 nan 8.230 nan 0.000 0.420 415 E N 3.258 123.407 120.200 -0.085 0.000 2.113 415 E HA 0.406 4.754 4.350 -0.003 0.000 0.273 415 E C -0.981 175.579 176.600 -0.068 0.000 0.924 415 E CA -0.677 55.717 56.400 -0.010 0.000 0.764 415 E CB 1.045 30.741 29.700 -0.008 0.000 1.104 415 E HN 0.241 nan 8.360 nan 0.000 0.406 416 F N 1.048 121.058 119.950 0.100 0.000 2.368 416 F HA 0.095 4.621 4.527 -0.003 0.000 0.308 416 F C 1.969 177.821 175.800 0.086 0.000 1.198 416 F CA -0.157 57.916 58.000 0.122 0.000 1.130 416 F CB 0.955 40.083 39.000 0.215 0.000 1.300 416 F HN 0.529 nan 8.300 nan 0.000 0.537 417 S N 0.146 116.005 115.700 0.265 0.000 2.456 417 S HA 0.110 4.578 4.470 -0.003 0.000 0.224 417 S C 0.709 175.387 174.600 0.130 0.000 1.035 417 S CA -0.182 58.105 58.200 0.145 0.000 0.940 417 S CB -0.368 62.886 63.200 0.090 0.000 0.799 417 S HN 0.502 nan 8.310 nan 0.000 0.508 418 I N 2.593 123.252 120.570 0.148 0.000 2.692 418 I HA 0.137 4.306 4.170 -0.003 0.000 0.284 418 I C -0.308 175.865 176.117 0.093 0.000 1.159 418 I CA -0.464 60.882 61.300 0.077 0.000 1.423 418 I CB 0.656 38.667 38.000 0.020 0.000 1.380 418 I HN 0.125 nan 8.210 nan 0.000 0.580 419 K N 6.778 127.207 120.400 0.049 0.000 2.237 419 K HA 0.219 4.537 4.320 -0.003 0.000 0.270 419 K C 0.976 177.604 176.600 0.047 0.000 1.015 419 K CA -0.429 55.892 56.287 0.055 0.000 0.949 419 K CB 1.290 33.805 32.500 0.025 0.000 0.976 419 K HN 0.607 nan 8.250 nan 0.000 0.472 420 I N 2.253 122.872 120.570 0.082 0.000 2.315 420 I HA -0.363 3.805 4.170 -0.003 0.000 0.251 420 I C 2.202 178.329 176.117 0.016 0.000 1.125 420 I CA 1.594 62.940 61.300 0.076 0.000 1.392 420 I CB -0.328 37.738 38.000 0.111 0.000 1.065 420 I HN 0.645 nan 8.210 nan 0.000 0.424 421 K N -0.051 120.354 120.400 0.009 0.000 2.288 421 K HA -0.107 4.212 4.320 -0.003 0.000 0.201 421 K C 1.039 177.618 176.600 -0.036 0.000 1.048 421 K CA 1.215 57.497 56.287 -0.009 0.000 0.956 421 K CB -0.149 32.348 32.500 -0.005 0.000 0.746 421 K HN 0.278 nan 8.250 nan 0.000 0.461 422 D N 1.320 121.692 120.400 -0.047 0.000 2.333 422 D HA 0.052 4.690 4.640 -0.003 0.000 0.208 422 D C 0.484 176.714 176.300 -0.116 0.000 0.984 422 D CA 0.216 54.170 54.000 -0.076 0.000 0.873 422 D CB 0.125 40.884 40.800 -0.069 0.000 0.935 422 D HN 0.182 nan 8.370 nan 0.000 0.521 423 L N 3.987 125.134 121.223 -0.127 0.000 2.660 423 L HA 0.036 4.374 4.340 -0.003 0.000 0.272 423 L C -1.852 174.909 176.870 -0.180 0.000 1.194 423 L CA -0.776 53.953 54.840 -0.186 0.000 0.945 423 L CB -0.155 41.781 42.059 -0.205 0.000 1.212 423 L HN -0.144 nan 8.230 nan 0.000 0.490 424 P HA 0.090 nan 4.420 nan 0.000 0.284 424 P C -0.866 176.342 177.300 -0.153 0.000 1.253 424 P CA -0.758 62.180 63.100 -0.270 0.000 0.800 424 P CB 1.062 32.405 31.700 -0.595 0.000 0.961 425 K N 1.642 122.015 120.400 -0.046 0.000 2.395 425 K HA 0.275 4.594 4.320 -0.003 0.000 0.283 425 K C 0.893 177.622 176.600 0.214 0.000 1.068 425 K CA 0.822 57.117 56.287 0.012 0.000 1.039 425 K CB -0.891 31.538 32.500 -0.118 0.000 0.924 425 K HN 0.818 nan 8.250 nan 0.000 0.468 426 G N 2.127 111.079 108.800 0.253 0.000 2.227 426 G HA2 -0.171 3.787 3.960 -0.003 0.000 0.168 426 G HA3 -0.171 3.787 3.960 -0.003 0.000 0.168 426 G C -0.029 174.989 174.900 0.197 0.000 1.006 426 G CA -0.196 45.049 45.100 0.241 0.000 0.684 426 G HN 0.859 nan 8.290 nan 0.000 0.489 427 A N 0.461 123.397 122.820 0.194 0.000 2.425 427 A HA 0.725 5.043 4.320 -0.003 0.000 0.249 427 A C 0.302 177.861 177.584 -0.042 0.000 1.084 427 A CA 0.337 52.449 52.037 0.124 0.000 0.781 427 A CB 0.354 19.296 19.000 -0.096 0.000 1.019 427 A HN 0.812 nan 8.150 nan 0.000 0.490 428 L N 1.818 123.007 121.223 -0.058 0.000 2.346 428 L HA 0.424 4.763 4.340 -0.003 0.000 0.274 428 L C -0.586 176.213 176.870 -0.118 0.000 1.007 428 L CA -0.902 53.880 54.840 -0.097 0.000 0.818 428 L CB 1.824 43.839 42.059 -0.074 0.000 1.284 428 L HN 0.679 nan 8.230 nan 0.000 0.424 429 L N 4.092 125.242 121.223 -0.121 0.000 2.315 429 L HA 0.302 4.641 4.340 -0.003 0.000 0.278 429 L C -0.024 176.829 176.870 -0.027 0.000 1.088 429 L CA 0.142 54.919 54.840 -0.105 0.000 0.899 429 L CB 0.216 42.214 42.059 -0.102 0.000 1.277 429 L HN 0.525 nan 8.230 nan 0.000 0.431 430 N N 6.297 125.002 118.700 0.008 0.000 2.415 430 N HA 0.166 4.904 4.740 -0.003 0.000 0.246 430 N C -1.219 174.343 175.510 0.087 0.000 1.078 430 N CA -0.326 52.758 53.050 0.057 0.000 0.942 430 N CB 0.528 39.047 38.487 0.054 0.000 1.140 430 N HN 0.658 nan 8.380 nan 0.000 0.501 431 L N 2.974 124.248 121.223 0.085 0.000 2.265 431 L HA 0.339 4.678 4.340 -0.003 0.000 0.288 431 L C 0.423 177.340 176.870 0.078 0.000 1.058 431 L CA -0.414 54.469 54.840 0.073 0.000 0.809 431 L CB 1.182 43.264 42.059 0.038 0.000 1.179 431 L HN 0.388 nan 8.230 nan 0.000 0.429 432 Q N 3.441 123.258 119.800 0.029 0.000 2.433 432 Q HA 0.629 4.968 4.340 -0.003 0.000 0.279 432 Q C -1.243 174.632 176.000 -0.209 0.000 1.105 432 Q CA -0.960 54.799 55.803 -0.073 0.000 0.815 432 Q CB 3.474 32.115 28.738 -0.162 0.000 1.403 432 Q HN 0.402 nan 8.270 nan 0.000 0.435 433 I N 2.022 122.406 120.570 -0.311 0.000 2.436 433 I HA 0.357 4.525 4.170 -0.003 0.000 0.289 433 I C -1.107 174.654 176.117 -0.594 0.000 1.010 433 I CA -0.608 60.494 61.300 -0.330 0.000 1.098 433 I CB 0.878 38.873 38.000 -0.008 0.000 1.266 433 I HN 0.599 nan 8.210 nan 0.000 0.434 434 Y N 4.208 124.138 120.300 -0.616 0.000 2.409 434 Y HA 0.478 5.026 4.550 -0.003 0.000 0.339 434 Y C 0.556 176.191 175.900 -0.442 0.000 1.033 434 Y CA -0.177 57.576 58.100 -0.579 0.000 1.094 434 Y CB 1.940 39.888 38.460 -0.855 0.000 1.210 434 Y HN 0.614 nan 8.280 nan 0.000 0.456 460 L N 4.670 125.956 121.223 0.104 0.000 2.416 460 L HA 0.288 4.626 4.340 -0.003 0.000 0.272 460 L C -0.581 176.135 176.870 -0.257 0.000 1.161 460 L CA 0.834 55.486 54.840 -0.313 0.000 0.845 460 L CB 0.703 42.595 42.059 -0.279 0.000 1.119 460 L HN 0.966 nan 8.230 nan 0.000 0.464 461 L N 3.684 124.696 121.223 -0.352 0.000 2.746 461 L HA 0.262 4.601 4.340 -0.003 0.000 0.230 461 L C -0.772 175.728 176.870 -0.618 0.000 1.034 461 L CA -0.304 54.241 54.840 -0.492 0.000 0.922 461 L CB 0.387 42.066 42.059 -0.634 0.000 1.496 461 L HN 0.434 nan 8.230 nan 0.000 0.498 462 Y N -0.330 119.937 120.300 -0.054 0.000 2.499 462 Y HA 0.544 5.092 4.550 -0.003 0.000 0.347 462 Y C -0.769 175.160 175.900 0.048 0.000 0.987 462 Y CA -1.389 56.703 58.100 -0.014 0.000 1.044 462 Y CB 1.597 40.034 38.460 -0.040 0.000 1.245 462 Y HN 0.015 nan 8.280 nan 0.000 0.461 463 Y N -0.259 120.150 120.300 0.181 0.000 2.558 463 Y HA 0.812 5.360 4.550 -0.003 0.000 0.333 463 Y C -2.240 173.789 175.900 0.215 0.000 1.125 463 Y CA -1.482 56.694 58.100 0.127 0.000 1.039 463 Y CB 1.196 39.705 38.460 0.082 0.000 1.331 463 Y HN 0.590 nan 8.280 nan 0.000 0.456 464 V N 3.136 123.206 119.914 0.260 0.000 3.048 464 V HA 0.577 4.695 4.120 -0.003 0.000 0.303 464 V C -1.924 174.281 176.094 0.184 0.000 1.214 464 V CA -0.734 61.681 62.300 0.192 0.000 0.984 464 V CB 2.432 34.252 31.823 -0.004 0.000 1.054 464 V HN 1.000 nan 8.190 nan 0.000 0.430 465 N N 3.475 122.276 118.700 0.169 0.000 2.292 465 N HA 0.753 5.491 4.740 -0.003 0.000 0.303 465 N C -1.641 173.871 175.510 0.004 0.000 1.140 465 N CA -0.400 52.700 53.050 0.083 0.000 0.788 465 N CB 2.523 41.066 38.487 0.094 0.000 1.361 465 N HN 0.589 nan 8.380 nan 0.000 0.489 466 L N 1.105 122.296 121.223 -0.053 0.000 2.470 466 L HA 0.471 4.809 4.340 -0.003 0.000 0.268 466 L C -1.425 175.387 176.870 -0.097 0.000 0.964 466 L CA -0.443 54.333 54.840 -0.106 0.000 0.839 466 L CB 1.506 43.422 42.059 -0.239 0.000 1.276 466 L HN 0.436 nan 8.230 nan 0.000 0.403 467 L N 6.023 127.209 121.223 -0.061 0.000 2.433 467 L HA 0.180 4.519 4.340 -0.003 0.000 0.275 467 L C 1.203 178.039 176.870 -0.057 0.000 1.128 467 L CA -0.023 54.764 54.840 -0.089 0.000 0.875 467 L CB 0.769 42.759 42.059 -0.115 0.000 1.171 467 L HN 0.787 nan 8.230 nan 0.000 0.463 468 L N 4.170 125.333 121.223 -0.099 0.000 2.141 468 L HA -0.063 4.275 4.340 -0.003 0.000 0.209 468 L C 0.307 177.160 176.870 -0.028 0.000 1.094 468 L CA 1.041 55.817 54.840 -0.108 0.000 0.763 468 L CB -0.028 41.879 42.059 -0.254 0.000 0.908 468 L HN 0.508 nan 8.230 nan 0.000 0.437 469 I N 0.293 120.864 120.570 0.000 0.000 2.330 469 I HA 0.113 4.281 4.170 -0.003 0.000 0.289 469 I C -0.091 176.105 176.117 0.131 0.000 1.001 469 I CA -0.833 60.489 61.300 0.038 0.000 1.193 469 I CB 1.042 39.041 38.000 -0.002 0.000 1.345 469 I HN 0.031 nan 8.210 nan 0.000 0.461 470 D N 4.166 124.624 120.400 0.097 0.000 2.398 470 D HA 0.021 4.660 4.640 -0.003 0.000 0.247 470 D C 1.315 177.648 176.300 0.055 0.000 1.227 470 D CA -0.051 54.036 54.000 0.146 0.000 0.980 470 D CB 0.305 41.091 40.800 -0.023 0.000 1.106 470 D HN 0.612 nan 8.370 nan 0.000 0.493 471 H N -0.498 118.585 119.070 0.021 0.000 2.541 471 H HA -0.037 4.517 4.556 -0.003 0.000 0.289 471 H C 0.817 176.034 175.328 -0.185 0.000 1.054 471 H CA 0.835 56.770 56.048 -0.189 0.000 1.250 471 H CB -0.309 29.337 29.762 -0.193 0.000 1.369 471 H HN 0.400 nan 8.280 nan 0.000 0.578 472 R N -0.711 119.561 120.500 -0.379 0.000 2.362 472 R HA 0.093 4.431 4.340 -0.003 0.000 0.227 472 R C -0.271 176.217 176.300 0.313 0.000 0.905 472 R CA -0.055 55.984 56.100 -0.102 0.000 1.067 472 R CB 0.343 30.451 30.300 -0.320 0.000 1.078 472 R HN 0.119 nan 8.270 nan 0.000 0.516 473 F N -0.789 119.069 119.950 -0.153 0.000 2.681 473 F HA -0.223 4.302 4.527 -0.003 0.000 0.299 473 F C -0.023 175.751 175.800 -0.043 0.000 0.676 473 F CA 0.035 57.991 58.000 -0.073 0.000 1.496 473 F CB -1.946 37.021 39.000 -0.055 0.000 1.827 473 F HN -0.078 nan 8.300 nan 0.000 0.328 474 L N 0.579 121.853 121.223 0.084 0.000 2.399 474 L HA 0.538 4.876 4.340 -0.003 0.000 0.265 474 L C 0.361 177.287 176.870 0.094 0.000 1.089 474 L CA -1.185 53.701 54.840 0.077 0.000 0.802 474 L CB 0.930 43.011 42.059 0.038 0.000 1.180 474 L HN -0.001 nan 8.230 nan 0.000 0.454 475 L N 2.125 123.423 121.223 0.125 0.000 2.281 475 L HA 0.303 4.641 4.340 -0.003 0.000 0.285 475 L C 0.316 177.327 176.870 0.234 0.000 1.074 475 L CA 0.004 54.929 54.840 0.141 0.000 0.817 475 L CB 0.775 42.913 42.059 0.132 0.000 1.168 475 L HN 0.437 nan 8.230 nan 0.000 0.434 476 R N 4.738 125.357 120.500 0.198 0.000 2.538 476 R HA 0.193 4.531 4.340 -0.003 0.000 0.282 476 R C -0.447 176.050 176.300 0.328 0.000 1.009 476 R CA 0.613 56.850 56.100 0.229 0.000 1.063 476 R CB 0.073 30.408 30.300 0.058 0.000 0.945 476 R HN 0.866 nan 8.270 nan 0.000 0.414 477 H N 1.479 120.698 119.070 0.248 0.000 2.947 477 H HA 0.641 5.196 4.556 -0.003 0.000 0.290 477 H C -0.054 175.515 175.328 0.402 0.000 1.430 477 H CA -0.550 55.656 56.048 0.264 0.000 1.189 477 H CB 0.695 30.581 29.762 0.205 0.000 1.875 477 H HN 0.842 nan 8.280 nan 0.000 0.568 478 G N 0.208 109.110 108.800 0.170 0.000 2.757 478 G HA2 -0.141 3.818 3.960 -0.003 0.000 0.638 478 G HA3 -0.141 3.818 3.960 -0.003 0.000 0.638 478 G C -1.014 173.998 174.900 0.186 0.000 1.344 478 G CA -0.309 44.829 45.100 0.063 0.000 0.855 478 G HN 0.759 nan 8.290 nan 0.000 0.537 479 E N -0.418 119.787 120.200 0.007 0.000 2.301 479 E HA 0.566 4.915 4.350 -0.003 0.000 0.275 479 E C -0.988 175.535 176.600 -0.128 0.000 1.030 479 E CA 0.055 56.467 56.400 0.019 0.000 0.852 479 E CB 1.361 31.038 29.700 -0.039 0.000 1.060 479 E HN 0.383 nan 8.360 nan 0.000 0.401 480 Y N -0.298 119.960 120.300 -0.070 0.000 2.457 480 Y HA 0.264 4.813 4.550 -0.003 0.000 0.343 480 Y C -0.295 175.533 175.900 -0.120 0.000 0.994 480 Y CA -0.831 57.212 58.100 -0.094 0.000 1.031 480 Y CB 1.951 40.336 38.460 -0.124 0.000 1.246 480 Y HN 0.111 nan 8.280 nan 0.000 0.449 481 V N 5.441 125.337 119.914 -0.029 0.000 2.327 481 V HA 0.350 4.468 4.120 -0.003 0.000 0.272 481 V C -0.599 175.358 176.094 -0.227 0.000 1.019 481 V CA -0.670 61.547 62.300 -0.139 0.000 0.814 481 V CB 0.479 32.206 31.823 -0.160 0.000 1.040 481 V HN 0.550 nan 8.190 nan 0.000 0.440 482 L N 4.095 125.187 121.223 -0.219 0.000 2.292 482 L HA 0.551 4.890 4.340 -0.003 0.000 0.284 482 L C 0.116 176.761 176.870 -0.374 0.000 1.065 482 L CA -0.554 54.144 54.840 -0.236 0.000 0.806 482 L CB 0.698 42.661 42.059 -0.161 0.000 1.175 482 L HN 0.494 nan 8.230 nan 0.000 0.431 483 H N 4.879 123.828 119.070 -0.201 0.000 2.761 483 H HA 0.350 4.904 4.556 -0.003 0.000 0.284 483 H C 0.004 175.060 175.328 -0.453 0.000 1.105 483 H CA -0.264 55.613 56.048 -0.285 0.000 1.352 483 H CB 0.970 30.562 29.762 -0.283 0.000 1.423 483 H HN 0.537 nan 8.280 nan 0.000 0.464 484 M N 1.913 121.336 119.600 -0.295 0.000 2.103 484 M HA 0.123 4.602 4.480 -0.003 0.000 0.291 484 M C -0.164 175.856 176.300 -0.465 0.000 1.216 484 M CA 0.290 55.377 55.300 -0.355 0.000 1.132 484 M CB 0.800 33.324 32.600 -0.127 0.000 1.396 484 M HN 0.406 nan 8.290 nan 0.000 0.479 485 W N -0.036 121.067 121.300 -0.328 0.000 2.578 485 W HA 0.502 5.161 4.660 -0.003 0.000 0.346 485 W C -0.211 176.192 176.519 -0.193 0.000 1.075 485 W CA -0.508 56.629 57.345 -0.347 0.000 1.233 485 W CB 0.763 29.844 29.460 -0.631 0.000 1.358 485 W HN 0.456 nan 8.180 nan 0.000 0.574 486 Q N 2.385 122.317 119.800 0.221 0.000 2.230 486 Q HA 0.476 4.814 4.340 -0.003 0.000 0.253 486 Q C -1.028 175.038 176.000 0.109 0.000 0.919 486 Q CA -0.776 55.082 55.803 0.092 0.000 0.908 486 Q CB 1.473 30.274 28.738 0.105 0.000 1.245 486 Q HN 0.632 nan 8.270 nan 0.000 0.437 487 L N 2.423 123.658 121.223 0.020 0.000 2.292 487 L HA 0.368 4.706 4.340 -0.003 0.000 0.284 487 L C -0.162 176.704 176.870 -0.007 0.000 1.065 487 L CA -0.057 54.824 54.840 0.069 0.000 0.806 487 L CB 1.568 43.633 42.059 0.011 0.000 1.175 487 L HN 0.685 nan 8.230 nan 0.000 0.431 498 N N 0.323 119.105 118.700 0.137 0.000 2.831 498 N HA 0.621 5.360 4.740 -0.003 0.000 0.276 498 N C 0.337 175.881 175.510 0.055 0.000 1.416 498 N CA -0.041 53.046 53.050 0.061 0.000 0.799 498 N CB 0.844 39.335 38.487 0.008 0.000 1.554 498 N HN 0.184 nan 8.380 nan 0.000 0.541 499 A N -0.270 122.579 122.820 0.048 0.000 1.933 499 A HA -0.151 4.168 4.320 -0.003 0.000 0.218 499 A C 1.200 178.837 177.584 0.089 0.000 1.175 499 A CA 1.773 53.839 52.037 0.048 0.000 0.628 499 A CB -0.949 17.932 19.000 -0.198 0.000 0.814 499 A HN 0.752 nan 8.150 nan 0.000 0.444 500 D N 0.046 120.447 120.400 0.002 0.000 2.178 500 D HA -0.118 4.520 4.640 -0.003 0.000 0.201 500 D C 1.469 177.783 176.300 0.023 0.000 0.980 500 D CA 1.143 55.111 54.000 -0.052 0.000 0.842 500 D CB -0.300 40.175 40.800 -0.541 0.000 0.948 500 D HN 0.488 nan 8.370 nan 0.000 0.472 501 K N 0.152 120.509 120.400 -0.071 0.000 2.574 501 K HA 0.047 4.365 4.320 -0.003 0.000 0.193 501 K C 1.498 178.078 176.600 -0.033 0.000 1.035 501 K CA 0.157 56.291 56.287 -0.254 0.000 0.982 501 K CB 0.214 32.453 32.500 -0.435 0.000 0.795 501 K HN 0.214 nan 8.250 nan 0.000 0.491 502 L N -0.494 120.775 121.223 0.075 0.000 2.638 502 L HA 0.052 4.390 4.340 -0.003 0.000 0.232 502 L C 1.165 178.094 176.870 0.097 0.000 1.099 502 L CA -0.158 54.738 54.840 0.094 0.000 0.883 502 L CB 0.388 42.525 42.059 0.131 0.000 1.136 502 L HN -0.017 nan 8.230 nan 0.000 0.492 503 T N -0.295 114.292 114.554 0.054 0.000 2.937 503 T HA -0.040 4.308 4.350 -0.003 0.000 0.316 503 T C 1.352 176.038 174.700 -0.023 0.000 1.079 503 T CA 0.577 62.566 62.100 -0.186 0.000 1.131 503 T CB 0.856 69.380 68.868 -0.573 0.000 1.000 503 T HN 0.372 nan 8.240 nan 0.000 0.549 504 S N 2.989 118.654 115.700 -0.058 0.000 2.503 504 S HA 0.361 4.830 4.470 -0.003 0.000 0.217 504 S C 1.049 175.729 174.600 0.132 0.000 0.999 504 S CA 0.014 58.228 58.200 0.024 0.000 0.914 504 S CB -0.064 63.094 63.200 -0.070 0.000 0.782 504 S HN 0.975 nan 8.310 nan 0.000 0.520 505 A N 2.600 125.486 122.820 0.110 0.000 2.483 505 A HA 0.505 4.824 4.320 -0.003 0.000 0.238 505 A C 0.721 178.506 177.584 0.336 0.000 1.070 505 A CA 0.068 52.227 52.037 0.203 0.000 0.770 505 A CB -0.124 18.957 19.000 0.136 0.000 1.008 505 A HN 0.567 nan 8.150 nan 0.000 0.497 506 T N 0.241 114.882 114.554 0.144 0.000 2.925 506 T HA 0.390 4.738 4.350 -0.003 0.000 0.285 506 T C 0.080 174.423 174.700 -0.596 0.000 1.021 506 T CA -0.992 61.003 62.100 -0.176 0.000 1.042 506 T CB 0.844 69.674 68.868 -0.063 0.000 1.037 506 T HN 0.590 nan 8.240 nan 0.000 0.481 507 N N 3.143 121.084 118.700 -1.266 0.000 2.434 507 N HA 0.077 4.815 4.740 -0.003 0.000 0.268 507 N C -1.069 174.122 175.510 -0.532 0.000 1.256 507 N CA -1.919 50.336 53.050 -1.325 0.000 0.914 507 N CB 0.940 38.740 38.487 -1.144 0.000 1.088 507 N HN 0.422 nan 8.380 nan 0.000 0.478 508 P HA -0.125 nan 4.420 nan 0.000 0.216 508 P C -0.012 177.168 177.300 -0.199 0.000 1.153 508 P CA 0.824 63.827 63.100 -0.162 0.000 0.848 508 P CB 0.074 31.754 31.700 -0.034 0.000 0.787 509 D N 0.435 120.718 120.400 -0.195 0.000 2.346 509 D HA 0.001 4.640 4.640 -0.003 0.000 0.267 509 D C 1.084 177.209 176.300 -0.292 0.000 1.320 509 D CA 0.262 54.154 54.000 -0.179 0.000 0.951 509 D CB 0.342 41.079 40.800 -0.106 0.000 1.079 509 D HN 0.021 nan 8.370 nan 0.000 0.509 510 K N 2.324 122.506 120.400 -0.363 0.000 2.128 510 K HA -0.006 4.312 4.320 -0.003 0.000 0.202 510 K C 1.442 177.860 176.600 -0.303 0.000 1.050 510 K CA 0.456 56.390 56.287 -0.589 0.000 0.966 510 K CB 0.264 32.374 32.500 -0.650 0.000 0.759 510 K HN 0.445 nan 8.250 nan 0.000 0.454 511 E N 0.823 120.912 120.200 -0.185 0.000 2.396 511 E HA -0.122 4.226 4.350 -0.003 0.000 0.200 511 E C 0.942 177.493 176.600 -0.081 0.000 1.023 511 E CA 0.704 57.040 56.400 -0.107 0.000 0.857 511 E CB 0.056 29.710 29.700 -0.077 0.000 0.775 511 E HN 0.303 nan 8.360 nan 0.000 0.525 512 N N -0.302 118.344 118.700 -0.090 0.000 2.266 512 N HA -0.012 4.727 4.740 -0.003 0.000 0.217 512 N C 0.321 175.802 175.510 -0.048 0.000 1.211 512 N CA 0.230 53.249 53.050 -0.053 0.000 0.881 512 N CB 0.754 39.224 38.487 -0.029 0.000 1.153 512 N HN -0.015 nan 8.380 nan 0.000 0.489 513 S N 0.812 116.463 115.700 -0.082 0.000 2.617 513 S HA 0.436 4.905 4.470 -0.003 0.000 0.269 513 S C 0.317 174.863 174.600 -0.091 0.000 1.292 513 S CA -0.634 57.521 58.200 -0.075 0.000 1.010 513 S CB 1.559 64.682 63.200 -0.128 0.000 0.944 513 S HN 0.119 nan 8.310 nan 0.000 0.536 514 M N 2.941 122.402 119.600 -0.230 0.000 2.243 514 M HA 0.390 4.869 4.480 -0.003 0.000 0.341 514 M C -0.218 175.952 176.300 -0.217 0.000 1.130 514 M CA 0.400 55.474 55.300 -0.378 0.000 1.162 514 M CB 0.675 32.650 32.600 -1.041 0.000 1.497 514 M HN 0.909 nan 8.290 nan 0.000 0.456 515 S N 4.719 120.308 115.700 -0.186 0.000 2.536 515 S HA 0.754 5.222 4.470 -0.003 0.000 0.287 515 S C -0.947 173.545 174.600 -0.179 0.000 1.101 515 S CA -1.037 57.020 58.200 -0.239 0.000 0.950 515 S CB 1.399 64.388 63.200 -0.351 0.000 1.056 515 S HN 0.826 nan 8.310 nan 0.000 0.481 516 I N 2.139 122.602 120.570 -0.177 0.000 2.378 516 I HA 0.594 4.762 4.170 -0.003 0.000 0.291 516 I C -0.725 175.334 176.117 -0.096 0.000 0.992 516 I CA -0.121 61.124 61.300 -0.091 0.000 1.154 516 I CB 1.838 39.800 38.000 -0.063 0.000 1.315 516 I HN 0.749 nan 8.210 nan 0.000 0.448 517 S N 8.297 123.967 115.700 -0.051 0.000 2.433 517 S HA 0.743 5.211 4.470 -0.003 0.000 0.310 517 S C -0.295 174.289 174.600 -0.027 0.000 1.097 517 S CA -0.551 57.621 58.200 -0.045 0.000 1.103 517 S CB 0.575 63.749 63.200 -0.043 0.000 0.992 517 S HN 0.597 nan 8.310 nan 0.000 0.469 518 I N 0.383 120.945 120.570 -0.014 0.000 3.264 518 I HA 0.862 5.031 4.170 -0.003 0.000 0.315 518 I C -1.764 174.348 176.117 -0.008 0.000 1.154 518 I CA -1.435 59.846 61.300 -0.031 0.000 0.962 518 I CB 1.822 39.805 38.000 -0.028 0.000 1.265 518 I HN 0.477 nan 8.210 nan 0.000 0.463 519 L N 2.788 123.968 121.223 -0.071 0.000 2.422 519 L HA 0.744 5.083 4.340 -0.003 0.000 0.264 519 L C -2.016 174.856 176.870 0.003 0.000 0.984 519 L CA -0.407 54.413 54.840 -0.033 0.000 0.819 519 L CB 1.925 43.903 42.059 -0.136 0.000 1.330 519 L HN 0.651 nan 8.230 nan 0.000 0.410 520 L N 3.833 125.134 121.223 0.131 0.000 2.365 520 L HA 0.550 4.888 4.340 -0.003 0.000 0.273 520 L C -0.086 176.934 176.870 0.249 0.000 1.000 520 L CA -0.349 54.599 54.840 0.180 0.000 0.819 520 L CB 1.657 43.830 42.059 0.190 0.000 1.284 520 L HN 0.674 nan 8.230 nan 0.000 0.418 526 P HA 0.165 nan 4.420 nan 0.000 0.267 526 P C 0.000 177.348 177.300 0.079 0.000 1.209 526 P CA 0.023 63.159 63.100 0.061 0.000 0.763 526 P CB 0.687 32.418 31.700 0.051 0.000 0.816 527 I N 2.184 122.796 120.570 0.071 0.000 2.441 527 I HA 0.474 4.643 4.170 -0.003 0.000 0.295 527 I C 0.329 176.500 176.117 0.091 0.000 0.994 527 I CA -0.787 60.563 61.300 0.084 0.000 1.144 527 I CB 1.832 39.870 38.000 0.063 0.000 1.314 527 I HN 0.246 nan 8.210 nan 0.000 0.445 528 A N 7.283 130.185 122.820 0.136 0.000 2.302 528 A HA 0.581 4.900 4.320 -0.003 0.000 0.295 528 A C -0.132 177.574 177.584 0.203 0.000 1.235 528 A CA -0.438 51.684 52.037 0.141 0.000 0.876 528 A CB -0.223 18.851 19.000 0.122 0.000 1.133 528 A HN 0.706 nan 8.150 nan 0.000 0.533 529 L N 4.087 125.379 121.223 0.116 0.000 2.410 529 L HA 0.204 4.543 4.340 -0.003 0.000 0.273 529 L C -1.449 175.501 176.870 0.133 0.000 1.152 529 L CA -1.323 53.568 54.840 0.085 0.000 0.855 529 L CB -0.221 41.864 42.059 0.043 0.000 1.129 529 L HN 0.577 nan 8.230 nan 0.000 0.463 547 M N 1.176 120.693 119.600 -0.138 0.000 2.449 547 M HA 0.523 5.001 4.480 -0.003 0.000 0.291 547 M C -2.892 173.328 176.300 -0.132 0.000 1.148 547 M CA -1.611 53.577 55.300 -0.186 0.000 0.925 547 M CB 1.286 33.507 32.600 -0.631 0.000 1.767 547 M HN 0.277 nan 8.290 nan 0.000 0.503 548 P HA 0.109 nan 4.420 nan 0.000 0.269 548 P C 0.104 177.367 177.300 -0.062 0.000 1.205 548 P CA -0.004 63.071 63.100 -0.042 0.000 0.780 548 P CB 0.485 32.181 31.700 -0.006 0.000 0.858 549 N N 0.821 119.496 118.700 -0.042 0.000 2.166 549 N HA -0.177 4.561 4.740 -0.003 0.000 0.186 549 N C 1.416 176.906 175.510 -0.034 0.000 1.019 549 N CA 1.339 54.364 53.050 -0.041 0.000 0.856 549 N CB -0.232 38.239 38.487 -0.027 0.000 0.993 549 N HN 0.385 nan 8.380 nan 0.000 0.426 550 Q N -0.126 119.661 119.800 -0.021 0.000 2.245 550 Q HA -0.005 4.333 4.340 -0.003 0.000 0.201 550 Q C 1.858 177.851 176.000 -0.011 0.000 0.955 550 Q CA 0.347 56.143 55.803 -0.012 0.000 0.870 550 Q CB -0.049 28.688 28.738 -0.002 0.000 0.945 550 Q HN 0.273 nan 8.270 nan 0.000 0.461 551 L N 0.669 121.882 121.223 -0.016 0.000 2.027 551 L HA -0.141 4.198 4.340 -0.003 0.000 0.206 551 L C 2.581 179.417 176.870 -0.058 0.000 1.074 551 L CA 1.632 56.468 54.840 -0.008 0.000 0.745 551 L CB -0.554 41.512 42.059 0.012 0.000 0.898 551 L HN 0.092 nan 8.230 nan 0.000 0.433 552 R N 0.230 120.663 120.500 -0.111 0.000 2.082 552 R HA -0.187 4.151 4.340 -0.003 0.000 0.234 552 R C 2.139 178.400 176.300 -0.065 0.000 1.136 552 R CA 1.882 57.906 56.100 -0.128 0.000 0.935 552 R CB -0.360 29.866 30.300 -0.124 0.000 0.842 552 R HN 0.247 nan 8.270 nan 0.000 0.430 553 K N -0.472 119.902 120.400 -0.043 0.000 2.360 553 K HA -0.171 4.148 4.320 -0.003 0.000 0.201 553 K C 1.911 178.504 176.600 -0.010 0.000 1.046 553 K CA 1.288 57.561 56.287 -0.024 0.000 0.945 553 K CB 0.003 32.492 32.500 -0.018 0.000 0.750 553 K HN 0.188 nan 8.250 nan 0.000 0.464 554 Q N 0.523 120.320 119.800 -0.005 0.000 2.402 554 Q HA 0.046 4.385 4.340 -0.003 0.000 0.206 554 Q C 1.614 177.627 176.000 0.021 0.000 0.919 554 Q CA 0.334 56.144 55.803 0.012 0.000 0.923 554 Q CB 0.240 28.992 28.738 0.022 0.000 1.048 554 Q HN 0.191 nan 8.270 nan 0.000 0.515 555 L N 0.309 121.539 121.223 0.012 0.000 2.068 555 L HA 0.019 4.358 4.340 -0.003 0.000 0.204 555 L C 1.528 178.408 176.870 0.017 0.000 1.076 555 L CA 1.811 56.665 54.840 0.024 0.000 0.753 555 L CB -0.250 41.808 42.059 -0.001 0.000 0.910 555 L HN 0.170 nan 8.230 nan 0.000 0.439 556 E N -0.160 120.040 120.200 0.001 0.000 2.204 556 E HA -0.172 4.177 4.350 -0.003 0.000 0.195 556 E C 2.086 178.693 176.600 0.010 0.000 0.990 556 E CA 0.899 57.301 56.400 0.004 0.000 0.821 556 E CB -0.273 29.423 29.700 -0.007 0.000 0.750 556 E HN 0.646 nan 8.360 nan 0.000 0.477 557 A N 1.374 124.200 122.820 0.010 0.000 1.930 557 A HA -0.135 4.184 4.320 -0.003 0.000 0.217 557 A C 2.124 179.719 177.584 0.019 0.000 1.175 557 A CA 0.845 52.890 52.037 0.012 0.000 0.627 557 A CB -0.200 18.806 19.000 0.011 0.000 0.815 557 A HN 0.086 nan 8.150 nan 0.000 0.443 558 I N 0.027 120.612 120.570 0.025 0.000 2.233 558 I HA -0.159 4.009 4.170 -0.003 0.000 0.243 558 I C 2.394 178.533 176.117 0.037 0.000 1.093 558 I CA 1.127 62.446 61.300 0.032 0.000 1.380 558 I CB -1.190 36.834 38.000 0.040 0.000 1.067 558 I HN 0.283 nan 8.210 nan 0.000 0.413 559 I N 1.270 121.863 120.570 0.038 0.000 2.335 559 I HA -0.255 3.913 4.170 -0.003 0.000 0.251 559 I C 2.492 178.634 176.117 0.042 0.000 1.129 559 I CA 1.322 62.650 61.300 0.047 0.000 1.402 559 I CB -0.424 37.603 38.000 0.046 0.000 1.069 559 I HN 0.117 nan 8.210 nan 0.000 0.424 560 A N 0.011 122.848 122.820 0.028 0.000 2.209 560 A HA 0.005 4.323 4.320 -0.003 0.000 0.212 560 A C 1.242 178.837 177.584 0.018 0.000 1.158 560 A CA 0.562 52.611 52.037 0.019 0.000 0.742 560 A CB -0.772 18.234 19.000 0.010 0.000 0.790 560 A HN 0.338 nan 8.150 nan 0.000 0.472 561 T N 2.161 116.729 114.554 0.023 0.000 2.856 561 T HA 0.272 4.620 4.350 -0.003 0.000 0.306 561 T C 0.302 175.015 174.700 0.023 0.000 1.062 561 T CA -0.040 62.072 62.100 0.020 0.000 1.083 561 T CB 0.557 69.439 68.868 0.024 0.000 0.984 561 T HN 0.600 nan 8.240 nan 0.000 0.542 562 D N 1.603 122.012 120.400 0.014 0.000 2.384 562 D HA 0.064 4.703 4.640 -0.003 0.000 0.244 562 D C -2.001 174.314 176.300 0.026 0.000 1.251 562 D CA -1.600 52.408 54.000 0.013 0.000 0.961 562 D CB 0.189 40.988 40.800 -0.002 0.000 1.116 562 D HN 0.122 nan 8.370 nan 0.000 0.484 563 P HA 0.003 nan 4.420 nan 0.000 0.216 563 P C 1.482 178.802 177.300 0.032 0.000 1.153 563 P CA 0.895 64.020 63.100 0.042 0.000 0.844 563 P CB 0.127 31.854 31.700 0.044 0.000 0.787 564 L N -1.735 119.502 121.223 0.022 0.000 2.552 564 L HA 0.008 4.347 4.340 -0.003 0.000 0.227 564 L C 0.863 177.740 176.870 0.012 0.000 1.146 564 L CA 0.093 54.944 54.840 0.017 0.000 0.858 564 L CB -0.917 41.155 42.059 0.020 0.000 0.969 564 L HN -0.014 nan 8.230 nan 0.000 0.451 565 N N 1.608 120.317 118.700 0.014 0.000 2.411 565 N HA 0.160 4.899 4.740 -0.003 0.000 0.259 565 N C -2.028 173.489 175.510 0.012 0.000 1.103 565 N CA -1.403 51.654 53.050 0.012 0.000 0.954 565 N CB 0.798 39.293 38.487 0.014 0.000 1.085 565 N HN -0.071 nan 8.380 nan 0.000 0.485 566 P HA 0.074 nan 4.420 nan 0.000 0.274 566 P C -0.705 176.600 177.300 0.009 0.000 1.264 566 P CA -0.101 62.999 63.100 0.001 0.000 0.795 566 P CB 1.026 32.721 31.700 -0.007 0.000 1.064 567 L N -0.628 120.599 121.223 0.007 0.000 2.319 567 L HA 0.475 4.814 4.340 -0.003 0.000 0.267 567 L C 1.108 177.983 176.870 0.007 0.000 1.011 567 L CA -0.786 54.062 54.840 0.014 0.000 0.818 567 L CB 1.916 43.988 42.059 0.021 0.000 1.316 567 L HN 0.471 nan 8.230 nan 0.000 0.432 568 T N -2.197 112.364 114.554 0.011 0.000 2.897 568 T HA 0.506 4.855 4.350 -0.003 0.000 0.278 568 T C 1.036 175.738 174.700 0.004 0.000 0.981 568 T CA -0.006 62.097 62.100 0.006 0.000 0.973 568 T CB 1.746 70.619 68.868 0.008 0.000 1.092 568 T HN 0.622 nan 8.240 nan 0.000 0.543 569 A N -0.011 122.807 122.820 -0.002 0.000 1.883 569 A HA -0.091 4.227 4.320 -0.003 0.000 0.217 569 A C 2.277 179.860 177.584 -0.001 0.000 1.186 569 A CA 2.032 54.064 52.037 -0.008 0.000 0.624 569 A CB -1.261 17.731 19.000 -0.013 0.000 0.822 569 A HN 1.029 nan 8.150 nan 0.000 0.444 570 E N -0.405 119.797 120.200 0.004 0.000 2.077 570 E HA -0.232 4.116 4.350 -0.003 0.000 0.193 570 E C 1.388 178.005 176.600 0.027 0.000 0.989 570 E CA 1.242 57.648 56.400 0.010 0.000 0.800 570 E CB -0.144 29.563 29.700 0.010 0.000 0.746 570 E HN 0.532 nan 8.360 nan 0.000 0.452 571 D N 0.771 121.188 120.400 0.028 0.000 2.103 571 D HA -0.195 4.444 4.640 -0.003 0.000 0.190 571 D C 1.874 178.204 176.300 0.051 0.000 0.997 571 D CA 1.415 55.438 54.000 0.040 0.000 0.833 571 D CB -0.154 40.665 40.800 0.032 0.000 0.961 571 D HN 0.181 nan 8.370 nan 0.000 0.447 572 K N 0.455 120.878 120.400 0.039 0.000 2.057 572 K HA -0.118 4.200 4.320 -0.003 0.000 0.207 572 K C 2.150 178.798 176.600 0.080 0.000 1.049 572 K CA 0.975 57.290 56.287 0.047 0.000 0.931 572 K CB -0.113 32.393 32.500 0.010 0.000 0.714 572 K HN 0.259 nan 8.250 nan 0.000 0.440 573 E N 0.687 120.921 120.200 0.056 0.000 2.153 573 E HA -0.201 4.147 4.350 -0.003 0.000 0.194 573 E C 1.946 178.607 176.600 0.100 0.000 0.988 573 E CA 0.790 57.234 56.400 0.073 0.000 0.811 573 E CB -0.023 29.686 29.700 0.015 0.000 0.746 573 E HN 0.098 nan 8.360 nan 0.000 0.466 574 L N 0.434 121.713 121.223 0.093 0.000 2.072 574 L HA -0.113 4.226 4.340 -0.003 0.000 0.205 574 L C 1.985 178.968 176.870 0.188 0.000 1.079 574 L CA 1.202 56.127 54.840 0.142 0.000 0.752 574 L CB -0.256 41.893 42.059 0.150 0.000 0.906 574 L HN 0.073 nan 8.230 nan 0.000 0.436 575 L N -1.202 120.107 121.223 0.143 0.000 2.017 575 L HA -0.257 4.082 4.340 -0.003 0.000 0.208 575 L C 2.302 179.227 176.870 0.093 0.000 1.073 575 L CA 1.982 56.889 54.840 0.112 0.000 0.745 575 L CB -1.320 40.785 42.059 0.076 0.000 0.894 575 L HN 0.532 nan 8.230 nan 0.000 0.432 576 W N -0.496 120.766 121.300 -0.064 0.000 2.381 576 W HA -0.268 4.390 4.660 -0.003 0.000 0.301 576 W C 2.694 179.147 176.519 -0.109 0.000 1.205 576 W CA 1.698 58.977 57.345 -0.111 0.000 1.285 576 W CB -0.361 29.030 29.460 -0.114 0.000 1.133 576 W HN 0.374 nan 8.180 nan 0.000 0.521 577 H N -0.506 118.444 119.070 -0.200 0.000 2.353 577 H HA -0.186 4.369 4.556 -0.003 0.000 0.298 577 H C 0.393 175.346 175.328 -0.624 0.000 1.103 577 H CA 2.119 57.875 56.048 -0.487 0.000 1.293 577 H CB -0.868 28.522 29.762 -0.621 0.000 1.372 577 H HN 0.004 nan 8.280 nan 0.000 0.501 578 F N 0.307 120.172 119.950 -0.143 0.000 2.578 578 F HA 0.286 4.811 4.527 -0.003 0.000 0.314 578 F C 1.334 177.000 175.800 -0.224 0.000 1.225 578 F CA -0.553 57.345 58.000 -0.170 0.000 1.215 578 F CB 0.409 39.377 39.000 -0.052 0.000 1.448 578 F HN -0.037 nan 8.300 nan 0.000 0.548 579 R N -0.349 119.987 120.500 -0.273 0.000 2.070 579 R HA -0.176 4.163 4.340 -0.003 0.000 0.233 579 R C 1.226 177.322 176.300 -0.340 0.000 1.137 579 R CA 1.768 57.602 56.100 -0.443 0.000 0.945 579 R CB -0.464 29.358 30.300 -0.796 0.000 0.845 579 R HN 0.414 nan 8.270 nan 0.000 0.430 580 Y N 0.327 120.505 120.300 -0.204 0.000 2.569 580 Y HA -0.141 4.408 4.550 -0.003 0.000 0.293 580 Y C 2.096 177.954 175.900 -0.070 0.000 1.144 580 Y CA 0.941 58.967 58.100 -0.124 0.000 1.321 580 Y CB 0.008 38.404 38.460 -0.106 0.000 0.982 580 Y HN 0.093 nan 8.280 nan 0.000 0.558 581 E N -0.942 119.301 120.200 0.072 0.000 2.251 581 E HA 0.004 4.352 4.350 -0.003 0.000 0.194 581 E C 2.008 178.606 176.600 -0.004 0.000 0.964 581 E CA 0.736 57.154 56.400 0.030 0.000 0.868 581 E CB 0.036 29.731 29.700 -0.009 0.000 0.828 581 E HN 0.085 nan 8.360 nan 0.000 0.481 582 S N 0.228 115.909 115.700 -0.033 0.000 2.527 582 S HA 0.018 4.486 4.470 -0.003 0.000 0.222 582 S C 1.518 176.060 174.600 -0.097 0.000 0.985 582 S CA 0.098 58.266 58.200 -0.054 0.000 0.921 582 S CB 0.038 63.189 63.200 -0.081 0.000 0.772 582 S HN 0.185 nan 8.310 nan 0.000 0.529 583 L N 1.935 123.072 121.223 -0.143 0.000 2.240 583 L HA 0.160 4.498 4.340 -0.003 0.000 0.211 583 L C 1.633 178.571 176.870 0.114 0.000 1.106 583 L CA 1.533 56.272 54.840 -0.168 0.000 0.793 583 L CB -0.265 41.649 42.059 -0.241 0.000 0.927 583 L HN 0.027 nan 8.230 nan 0.000 0.446 584 K N -0.630 119.829 120.400 0.098 0.000 2.515 584 K HA -0.061 4.257 4.320 -0.003 0.000 0.196 584 K C 0.034 176.731 176.600 0.162 0.000 1.038 584 K CA 0.403 56.769 56.287 0.132 0.000 0.967 584 K CB -0.127 32.419 32.500 0.077 0.000 0.780 584 K HN 0.252 nan 8.250 nan 0.000 0.483 585 D N -0.067 120.456 120.400 0.204 0.000 2.471 585 D HA 0.142 4.781 4.640 -0.003 0.000 0.245 585 D C -2.263 174.260 176.300 0.372 0.000 1.116 585 D CA -2.489 51.633 54.000 0.202 0.000 0.853 585 D CB 1.958 42.832 40.800 0.124 0.000 1.123 585 D HN -0.260 nan 8.370 nan 0.000 0.540 586 P HA -0.114 nan 4.420 nan 0.000 0.216 586 P C 0.736 178.227 177.300 0.319 0.000 1.150 586 P CA 1.259 64.484 63.100 0.208 0.000 0.843 586 P CB 0.296 31.942 31.700 -0.089 0.000 0.787 587 K N -0.889 119.633 120.400 0.203 0.000 2.574 587 K HA 0.056 4.375 4.320 -0.003 0.000 0.193 587 K C 1.648 178.378 176.600 0.217 0.000 1.035 587 K CA 0.786 57.178 56.287 0.174 0.000 0.982 587 K CB -0.259 32.296 32.500 0.091 0.000 0.795 587 K HN 0.130 nan 8.250 nan 0.000 0.491 588 A N -0.172 122.831 122.820 0.305 0.000 2.115 588 A HA 0.028 4.347 4.320 -0.003 0.000 0.211 588 A C 1.274 178.989 177.584 0.219 0.000 1.169 588 A CA 0.040 52.203 52.037 0.209 0.000 0.787 588 A CB -0.191 18.881 19.000 0.120 0.000 0.858 588 A HN 0.137 nan 8.150 nan 0.000 0.474 589 Y N 0.880 121.241 120.300 0.102 0.000 2.030 589 Y HA -0.213 4.335 4.550 -0.003 0.000 0.272 589 Y C -0.195 175.869 175.900 0.274 0.000 1.185 589 Y CA 2.645 60.832 58.100 0.144 0.000 1.120 589 Y CB -2.025 36.532 38.460 0.162 0.000 0.955 589 Y HN 0.267 nan 8.280 nan 0.000 0.495 590 P HA -0.200 nan 4.420 nan 0.000 0.213 590 P C 1.654 179.220 177.300 0.444 0.000 1.170 590 P CA 2.118 65.484 63.100 0.444 0.000 0.902 590 P CB 0.005 31.891 31.700 0.309 0.000 0.789 591 K N -0.756 119.796 120.400 0.254 0.000 2.032 591 K HA -0.156 4.163 4.320 -0.003 0.000 0.209 591 K C 2.059 178.730 176.600 0.118 0.000 1.048 591 K CA 1.174 57.558 56.287 0.162 0.000 0.927 591 K CB -1.524 31.039 32.500 0.105 0.000 0.712 591 K HN 0.119 nan 8.250 nan 0.000 0.441 592 L N 0.422 121.653 121.223 0.013 0.000 2.079 592 L HA -0.100 4.238 4.340 -0.003 0.000 0.210 592 L C 1.875 178.650 176.870 -0.158 0.000 1.081 592 L CA 1.624 56.359 54.840 -0.174 0.000 0.752 592 L CB -0.539 41.222 42.059 -0.495 0.000 0.896 592 L HN 0.043 nan 8.230 nan 0.000 0.433 593 F N -0.944 119.163 119.950 0.261 0.000 2.811 593 F HA 0.040 4.565 4.527 -0.002 0.000 0.301 593 F C 2.210 178.322 175.800 0.520 0.000 1.151 593 F CA 0.523 58.785 58.000 0.436 0.000 1.412 593 F CB -0.304 39.038 39.000 0.569 0.000 1.113 593 F HN 0.298 nan 8.300 nan 0.000 0.579 594 S N -2.602 113.346 115.700 0.413 0.000 2.524 594 S HA 0.046 4.514 4.470 -0.003 0.000 0.215 594 S C 1.397 176.081 174.600 0.140 0.000 0.986 594 S CA 0.059 58.387 58.200 0.215 0.000 0.911 594 S CB -0.114 63.106 63.200 0.034 0.000 0.805 594 S HN 0.054 nan 8.310 nan 0.000 0.501 595 S N 1.408 117.172 115.700 0.106 0.000 2.575 595 S HA 0.306 4.774 4.470 -0.003 0.000 0.215 595 S C 0.371 174.893 174.600 -0.130 0.000 0.966 595 S CA -0.280 57.930 58.200 0.017 0.000 0.911 595 S CB 0.084 63.320 63.200 0.060 0.000 0.780 595 S HN 0.392 nan 8.310 nan 0.000 0.514 596 V N 2.537 122.339 119.914 -0.187 0.000 2.649 596 V HA 0.191 4.309 4.120 -0.003 0.000 0.292 596 V C 0.382 176.069 176.094 -0.679 0.000 1.055 596 V CA -0.371 61.523 62.300 -0.676 0.000 1.023 596 V CB 1.125 32.281 31.823 -1.112 0.000 0.992 596 V HN 0.187 nan 8.190 nan 0.000 0.480 597 K N 4.130 124.077 120.400 -0.754 0.000 2.265 597 K HA 0.148 4.466 4.320 -0.003 0.000 0.242 597 K C 0.131 176.485 176.600 -0.409 0.000 1.137 597 K CA -0.021 55.998 56.287 -0.447 0.000 1.082 597 K CB 0.242 32.495 32.500 -0.411 0.000 1.731 597 K HN 0.707 nan 8.250 nan 0.000 0.392 598 W N 0.636 121.833 121.300 -0.171 0.000 2.421 598 W HA -0.073 4.585 4.660 -0.003 0.000 0.270 598 W C 1.833 178.173 176.519 -0.299 0.000 1.233 598 W CA 0.319 57.530 57.345 -0.222 0.000 1.226 598 W CB -0.017 29.308 29.460 -0.225 0.000 1.121 598 W HN 0.557 nan 8.180 nan 0.000 0.579 599 G N 0.166 108.932 108.800 -0.056 0.000 3.234 599 G HA2 0.044 4.003 3.960 -0.003 0.000 0.221 599 G HA3 0.044 4.003 3.960 -0.003 0.000 0.221 599 G C 0.143 174.974 174.900 -0.116 0.000 1.229 599 G CA -0.180 44.857 45.100 -0.105 0.000 0.909 599 G HN 0.211 nan 8.290 nan 0.000 0.510 600 Q N -0.533 119.183 119.800 -0.141 0.000 2.350 600 Q HA 0.149 4.487 4.340 -0.003 0.000 0.255 600 Q C 0.760 176.676 176.000 -0.140 0.000 0.951 600 Q CA -0.596 55.124 55.803 -0.139 0.000 0.751 600 Q CB 1.773 30.410 28.738 -0.169 0.000 1.296 600 Q HN 0.249 nan 8.270 nan 0.000 0.453 601 Q N 2.031 121.767 119.800 -0.107 0.000 2.156 601 Q HA -0.306 4.032 4.340 -0.003 0.000 0.211 601 Q C 0.591 176.533 176.000 -0.097 0.000 0.995 601 Q CA 2.785 58.530 55.803 -0.098 0.000 0.877 601 Q CB 0.210 28.906 28.738 -0.069 0.000 0.920 601 Q HN 0.622 nan 8.270 nan 0.000 0.416 602 E N 0.459 120.611 120.200 -0.080 0.000 2.031 602 E HA -0.130 4.218 4.350 -0.003 0.000 0.193 602 E C 2.014 178.582 176.600 -0.054 0.000 0.994 602 E CA 1.514 57.883 56.400 -0.052 0.000 0.800 602 E CB -0.356 29.323 29.700 -0.036 0.000 0.752 602 E HN 0.370 nan 8.360 nan 0.000 0.447 603 I N 0.726 121.219 120.570 -0.129 0.000 2.163 603 I HA -0.227 3.942 4.170 -0.003 0.000 0.243 603 I C 2.245 178.251 176.117 -0.185 0.000 1.085 603 I CA 1.070 62.240 61.300 -0.216 0.000 1.347 603 I CB -1.096 36.588 38.000 -0.526 0.000 1.044 603 I HN 0.012 nan 8.210 nan 0.000 0.408 604 V N 1.438 121.214 119.914 -0.230 0.000 2.295 604 V HA -0.266 3.853 4.120 -0.003 0.000 0.246 604 V C 2.880 178.894 176.094 -0.134 0.000 1.049 604 V CA 1.842 64.020 62.300 -0.202 0.000 1.024 604 V CB -1.315 30.420 31.823 -0.146 0.000 0.648 604 V HN 0.463 nan 8.190 nan 0.000 0.447 605 A N -0.136 122.603 122.820 -0.136 0.000 1.917 605 A HA -0.298 4.021 4.320 -0.003 0.000 0.219 605 A C 2.301 179.922 177.584 0.062 0.000 1.182 605 A CA 2.314 54.301 52.037 -0.082 0.000 0.633 605 A CB -0.511 18.462 19.000 -0.046 0.000 0.819 605 A HN 0.579 nan 8.150 nan 0.000 0.448 606 K N -1.083 119.381 120.400 0.107 0.000 2.097 606 K HA -0.088 4.231 4.320 -0.003 0.000 0.205 606 K C 2.123 178.844 176.600 0.202 0.000 1.050 606 K CA 1.628 58.017 56.287 0.170 0.000 0.938 606 K CB -0.412 32.240 32.500 0.254 0.000 0.718 606 K HN 0.515 nan 8.250 nan 0.000 0.442 607 T N 0.750 115.471 114.554 0.279 0.000 2.652 607 T HA -0.181 4.167 4.350 -0.003 0.000 0.267 607 T C 1.699 176.621 174.700 0.370 0.000 1.039 607 T CA 1.369 63.664 62.100 0.325 0.000 1.153 607 T CB -0.504 68.545 68.868 0.302 0.000 0.863 607 T HN 0.290 nan 8.240 nan 0.000 0.428 608 Y N 1.610 121.987 120.300 0.129 0.000 2.207 608 Y HA -0.225 4.324 4.550 -0.003 0.000 0.287 608 Y C 2.977 178.925 175.900 0.079 0.000 1.156 608 Y CA 0.797 58.963 58.100 0.109 0.000 1.182 608 Y CB -0.219 38.306 38.460 0.109 0.000 0.979 608 Y HN 0.326 nan 8.280 nan 0.000 0.521 609 Q N 0.061 120.004 119.800 0.240 0.000 2.050 609 Q HA -0.216 4.123 4.340 -0.003 0.000 0.202 609 Q C 2.380 178.440 176.000 0.101 0.000 0.980 609 Q CA 1.397 57.293 55.803 0.155 0.000 0.840 609 Q CB -0.285 28.538 28.738 0.142 0.000 0.898 609 Q HN 0.510 nan 8.270 nan 0.000 0.424 610 L N 0.706 121.946 121.223 0.027 0.000 1.990 610 L HA -0.262 4.077 4.340 -0.003 0.000 0.213 610 L C 2.195 179.020 176.870 -0.075 0.000 1.072 610 L CA 1.546 56.274 54.840 -0.186 0.000 0.755 610 L CB -0.300 41.582 42.059 -0.295 0.000 0.889 610 L HN 0.350 nan 8.230 nan 0.000 0.432 611 L N -0.527 120.716 121.223 0.033 0.000 2.131 611 L HA -0.195 4.144 4.340 -0.003 0.000 0.210 611 L C 2.842 179.729 176.870 0.028 0.000 1.092 611 L CA 0.917 55.776 54.840 0.032 0.000 0.759 611 L CB -0.694 41.352 42.059 -0.022 0.000 0.903 611 L HN 0.369 nan 8.230 nan 0.000 0.435 612 A N 0.176 123.024 122.820 0.047 0.000 1.915 612 A HA -0.238 4.081 4.320 -0.003 0.000 0.220 612 A C 1.334 178.960 177.584 0.070 0.000 1.198 612 A CA 1.576 53.647 52.037 0.058 0.000 0.647 612 A CB -0.464 18.586 19.000 0.083 0.000 0.825 612 A HN 0.341 nan 8.150 nan 0.000 0.456 613 K N 0.237 120.689 120.400 0.086 0.000 2.206 613 K HA 0.314 4.633 4.320 -0.003 0.000 0.268 613 K C -0.163 176.508 176.600 0.119 0.000 1.111 613 K CA -0.091 56.259 56.287 0.105 0.000 0.955 613 K CB 0.574 33.156 32.500 0.136 0.000 1.406 613 K HN 0.291 nan 8.250 nan 0.000 0.427 614 R N 1.922 122.502 120.500 0.134 0.000 2.700 614 R HA 0.049 4.387 4.340 -0.003 0.000 0.377 614 R C 0.492 176.920 176.300 0.214 0.000 1.130 614 R CA -0.068 56.156 56.100 0.207 0.000 1.055 614 R CB 0.321 30.746 30.300 0.209 0.000 1.387 614 R HN 0.583 nan 8.270 nan 0.000 0.580 615 E N 0.429 120.721 120.200 0.153 0.000 2.049 615 E HA -0.203 4.145 4.350 -0.003 0.000 0.198 615 E C 1.714 178.386 176.600 0.121 0.000 1.007 615 E CA 1.641 58.111 56.400 0.116 0.000 0.809 615 E CB 0.055 29.807 29.700 0.087 0.000 0.749 615 E HN 0.085 nan 8.360 nan 0.000 0.450 616 V N 1.231 121.237 119.914 0.153 0.000 2.324 616 V HA -0.256 3.863 4.120 -0.003 0.000 0.250 616 V C 1.969 178.147 176.094 0.140 0.000 1.060 616 V CA 1.803 64.189 62.300 0.143 0.000 1.042 616 V CB -0.676 31.263 31.823 0.193 0.000 0.650 616 V HN 0.507 nan 8.190 nan 0.000 0.450 617 W N 1.137 122.460 121.300 0.039 0.000 2.408 617 W HA -0.118 4.541 4.660 -0.003 0.000 0.311 617 W C 2.193 178.672 176.519 -0.066 0.000 1.190 617 W CA 1.630 58.936 57.345 -0.065 0.000 1.321 617 W CB -0.281 29.156 29.460 -0.040 0.000 1.143 617 W HN 0.338 nan 8.180 nan 0.000 0.501 618 D N 0.294 120.767 120.400 0.122 0.000 2.158 618 D HA -0.229 4.409 4.640 -0.003 0.000 0.197 618 D C 1.896 178.138 176.300 -0.096 0.000 0.995 618 D CA 1.636 55.644 54.000 0.013 0.000 0.846 618 D CB -0.484 40.365 40.800 0.082 0.000 0.941 618 D HN 0.434 nan 8.370 nan 0.000 0.456 619 Q N 0.363 120.118 119.800 -0.076 0.000 2.392 619 Q HA 0.042 4.381 4.340 -0.003 0.000 0.203 619 Q C 0.744 176.656 176.000 -0.147 0.000 0.917 619 Q CA -0.181 55.570 55.803 -0.087 0.000 0.939 619 Q CB 0.497 29.213 28.738 -0.036 0.000 1.063 619 Q HN 0.172 nan 8.270 nan 0.000 0.516 620 S N 0.079 115.631 115.700 -0.246 0.000 2.589 620 S HA 0.449 4.917 4.470 -0.003 0.000 0.265 620 S C 0.184 174.600 174.600 -0.307 0.000 1.342 620 S CA -0.636 57.385 58.200 -0.298 0.000 1.005 620 S CB 1.133 64.052 63.200 -0.468 0.000 0.909 620 S HN 0.208 nan 8.310 nan 0.000 0.555 621 A N 1.173 123.839 122.820 -0.256 0.000 2.327 621 A HA 0.540 4.858 4.320 -0.003 0.000 0.283 621 A C -0.028 177.396 177.584 -0.267 0.000 1.127 621 A CA -0.748 51.162 52.037 -0.211 0.000 0.810 621 A CB 0.014 18.927 19.000 -0.144 0.000 1.066 621 A HN 1.003 nan 8.150 nan 0.000 0.492 622 L N 1.923 123.011 121.223 -0.225 0.000 2.540 622 L HA 0.139 4.478 4.340 -0.003 0.000 0.276 622 L C -0.182 176.576 176.870 -0.188 0.000 1.212 622 L CA 0.919 55.623 54.840 -0.227 0.000 0.893 622 L CB 0.180 42.148 42.059 -0.151 0.000 1.138 622 L HN 0.668 nan 8.230 nan 0.000 0.491 623 D N 4.127 124.401 120.400 -0.209 0.000 2.389 623 D HA 0.126 4.765 4.640 -0.003 0.000 0.256 623 D C 0.941 177.152 176.300 -0.149 0.000 1.239 623 D CA -0.332 53.577 54.000 -0.151 0.000 0.925 623 D CB 1.288 42.002 40.800 -0.142 0.000 1.145 623 D HN 0.418 nan 8.370 nan 0.000 0.542 624 V N 3.483 123.287 119.914 -0.182 0.000 2.278 624 V HA -0.239 3.879 4.120 -0.003 0.000 0.251 624 V C 2.587 178.554 176.094 -0.212 0.000 1.062 624 V CA 2.495 64.626 62.300 -0.282 0.000 1.038 624 V CB -0.707 30.781 31.823 -0.558 0.000 0.646 624 V HN 0.656 nan 8.190 nan 0.000 0.447 625 G N -0.766 107.948 108.800 -0.144 0.000 2.446 625 G HA2 -0.267 3.691 3.960 -0.003 0.000 0.217 625 G HA3 -0.267 3.691 3.960 -0.003 0.000 0.217 625 G C 1.648 176.526 174.900 -0.038 0.000 1.168 625 G CA 1.164 46.220 45.100 -0.074 0.000 0.771 625 G HN 0.461 nan 8.290 nan 0.000 0.551 626 L N 0.432 121.639 121.223 -0.027 0.000 2.056 626 L HA -0.073 4.265 4.340 -0.003 0.000 0.207 626 L C 3.013 179.903 176.870 0.034 0.000 1.078 626 L CA 1.969 56.825 54.840 0.026 0.000 0.749 626 L CB -0.533 41.548 42.059 0.036 0.000 0.901 626 L HN 0.246 nan 8.230 nan 0.000 0.433 627 T N 0.049 114.601 114.554 -0.003 0.000 2.788 627 T HA -0.183 4.166 4.350 -0.003 0.000 0.268 627 T C 1.965 176.630 174.700 -0.059 0.000 1.044 627 T CA 1.294 63.390 62.100 -0.007 0.000 1.139 627 T CB -0.098 68.734 68.868 -0.060 0.000 0.867 627 T HN 0.211 nan 8.240 nan 0.000 0.454 628 M N 1.361 120.918 119.600 -0.071 0.000 2.159 628 M HA -0.052 4.426 4.480 -0.003 0.000 0.263 628 M C 2.301 178.586 176.300 -0.025 0.000 1.063 628 M CA 1.384 56.654 55.300 -0.050 0.000 1.110 628 M CB -1.152 31.416 32.600 -0.053 0.000 1.374 628 M HN 0.364 nan 8.290 nan 0.000 0.411 629 Q N 0.011 119.802 119.800 -0.015 0.000 2.234 629 Q HA -0.083 4.255 4.340 -0.003 0.000 0.206 629 Q C 1.800 177.773 176.000 -0.045 0.000 0.980 629 Q CA 0.892 56.709 55.803 0.025 0.000 0.869 629 Q CB -0.160 28.618 28.738 0.068 0.000 0.912 629 Q HN 0.520 nan 8.270 nan 0.000 0.436 630 L N -0.093 120.988 121.223 -0.236 0.000 2.591 630 L HA 0.053 4.392 4.340 -0.003 0.000 0.228 630 L C 1.318 177.990 176.870 -0.330 0.000 1.133 630 L CA 0.162 54.628 54.840 -0.623 0.000 0.880 630 L CB 0.214 41.929 42.059 -0.574 0.000 1.033 630 L HN 0.196 nan 8.230 nan 0.000 0.450 631 L N -0.485 120.672 121.223 -0.110 0.000 2.808 631 L HA 0.132 4.470 4.340 -0.003 0.000 0.246 631 L C 0.483 177.394 176.870 0.068 0.000 1.153 631 L CA -0.387 54.449 54.840 -0.007 0.000 0.956 631 L CB -0.006 42.063 42.059 0.017 0.000 1.270 631 L HN 0.260 nan 8.230 nan 0.000 0.528 632 D N -1.040 119.332 120.400 -0.047 0.000 2.469 632 D HA -0.024 4.614 4.640 -0.003 0.000 0.278 632 D C 1.523 177.386 176.300 -0.729 0.000 1.231 632 D CA -0.193 53.512 54.000 -0.492 0.000 1.075 632 D CB 0.201 40.772 40.800 -0.383 0.000 1.121 632 D HN 0.124 nan 8.370 nan 0.000 0.571 633 C N -1.740 116.841 119.300 -1.198 0.000 2.437 633 C HA 0.083 4.541 4.460 -0.003 0.000 0.283 633 C C 1.713 176.448 174.990 -0.425 0.000 1.424 633 C CA 0.047 58.629 59.018 -0.728 0.000 1.782 633 C CB -1.940 25.431 27.740 -0.615 0.000 1.833 633 C HN 0.508 nan 8.230 nan 0.000 0.532 634 N N -0.432 118.030 118.700 -0.397 0.000 2.459 634 N HA 0.145 4.883 4.740 -0.003 0.000 0.181 634 N C -0.461 174.542 175.510 -0.845 0.000 1.046 634 N CA 0.733 53.439 53.050 -0.573 0.000 0.904 634 N CB -0.000 38.097 38.487 -0.649 0.000 0.964 634 N HN 0.552 nan 8.380 nan 0.000 0.444 635 F N -1.218 118.549 119.950 -0.306 0.000 2.507 635 F HA 0.415 4.940 4.527 -0.003 0.000 0.325 635 F C 0.615 176.131 175.800 -0.474 0.000 1.116 635 F CA -0.912 56.863 58.000 -0.376 0.000 0.930 635 F CB 2.127 40.971 39.000 -0.260 0.000 1.146 635 F HN -0.260 nan 8.300 nan 0.000 0.447 636 S N -0.475 114.864 115.700 -0.602 0.000 2.733 636 S HA 0.004 4.473 4.470 -0.003 0.000 0.247 636 S C -0.309 174.016 174.600 -0.458 0.000 1.043 636 S CA -0.347 57.459 58.200 -0.656 0.000 1.066 636 S CB 0.009 62.503 63.200 -1.176 0.000 1.045 636 S HN 0.666 nan 8.310 nan 0.000 0.586 637 D N 2.388 122.547 120.400 -0.402 0.000 2.317 637 D HA 0.053 4.691 4.640 -0.003 0.000 0.252 637 D C 1.017 177.282 176.300 -0.058 0.000 1.174 637 D CA 0.104 54.020 54.000 -0.141 0.000 0.866 637 D CB 1.089 41.732 40.800 -0.262 0.000 1.127 637 D HN 0.296 nan 8.370 nan 0.000 0.467 638 E N 3.735 123.955 120.200 0.034 0.000 2.097 638 E HA -0.307 4.041 4.350 -0.003 0.000 0.196 638 E C 1.275 177.844 176.600 -0.053 0.000 1.000 638 E CA 1.356 57.764 56.400 0.013 0.000 0.804 638 E CB 0.123 29.848 29.700 0.042 0.000 0.740 638 E HN 0.451 nan 8.360 nan 0.000 0.454 639 N N -0.339 118.309 118.700 -0.087 0.000 2.171 639 N HA -0.125 4.613 4.740 -0.003 0.000 0.184 639 N C 1.739 177.081 175.510 -0.281 0.000 1.021 639 N CA 1.449 54.349 53.050 -0.249 0.000 0.854 639 N CB -0.036 38.083 38.487 -0.614 0.000 0.994 639 N HN 0.060 nan 8.380 nan 0.000 0.426 640 V N 0.965 120.715 119.914 -0.274 0.000 2.295 640 V HA -0.200 3.918 4.120 -0.003 0.000 0.246 640 V C 2.313 178.170 176.094 -0.396 0.000 1.049 640 V CA 1.735 63.773 62.300 -0.437 0.000 1.024 640 V CB -0.473 31.103 31.823 -0.411 0.000 0.648 640 V HN 0.333 nan 8.190 nan 0.000 0.447 641 R N 0.179 120.519 120.500 -0.266 0.000 2.092 641 R HA -0.079 4.259 4.340 -0.003 0.000 0.231 641 R C 2.454 178.651 176.300 -0.171 0.000 1.119 641 R CA 1.334 57.307 56.100 -0.212 0.000 0.970 641 R CB -0.656 29.573 30.300 -0.119 0.000 0.864 641 R HN 0.526 nan 8.270 nan 0.000 0.440 642 A N 1.906 124.638 122.820 -0.146 0.000 1.948 642 A HA -0.199 4.119 4.320 -0.003 0.000 0.220 642 A C 2.171 179.687 177.584 -0.114 0.000 1.177 642 A CA 1.833 53.806 52.037 -0.106 0.000 0.636 642 A CB -0.599 18.348 19.000 -0.089 0.000 0.815 642 A HN 0.434 nan 8.150 nan 0.000 0.449 643 I N -2.475 117.991 120.570 -0.173 0.000 2.676 643 I HA 0.120 4.289 4.170 -0.003 0.000 0.259 643 I C 2.172 178.280 176.117 -0.015 0.000 1.194 643 I CA 1.167 62.389 61.300 -0.130 0.000 1.473 643 I CB -0.732 37.057 38.000 -0.351 0.000 1.096 643 I HN 0.135 nan 8.210 nan 0.000 0.443 644 A N 1.249 124.004 122.820 -0.108 0.000 1.854 644 A HA -0.015 4.304 4.320 -0.003 0.000 0.214 644 A C 2.340 179.872 177.584 -0.087 0.000 1.192 644 A CA 1.893 53.905 52.037 -0.042 0.000 0.611 644 A CB -1.206 17.713 19.000 -0.135 0.000 0.832 644 A HN 0.299 nan 8.150 nan 0.000 0.442 645 V N 0.745 120.569 119.914 -0.150 0.000 2.392 645 V HA -0.346 3.772 4.120 -0.003 0.000 0.249 645 V C 2.731 178.660 176.094 -0.274 0.000 1.059 645 V CA 2.305 64.442 62.300 -0.272 0.000 1.051 645 V CB -0.953 30.756 31.823 -0.190 0.000 0.658 645 V HN 0.771 nan 8.190 nan 0.000 0.455 646 Q N 0.147 119.882 119.800 -0.110 0.000 2.112 646 Q HA -0.283 4.055 4.340 -0.003 0.000 0.206 646 Q C 2.157 178.124 176.000 -0.056 0.000 0.987 646 Q CA 1.751 57.529 55.803 -0.042 0.000 0.858 646 Q CB -0.029 28.738 28.738 0.048 0.000 0.905 646 Q HN 0.477 nan 8.270 nan 0.000 0.420 647 K N 0.404 120.781 120.400 -0.039 0.000 2.288 647 K HA -0.005 4.314 4.320 -0.003 0.000 0.201 647 K C 2.094 178.605 176.600 -0.147 0.000 1.048 647 K CA 0.480 56.709 56.287 -0.096 0.000 0.956 647 K CB -0.134 32.300 32.500 -0.109 0.000 0.746 647 K HN 0.338 nan 8.250 nan 0.000 0.461 648 L N 1.195 122.268 121.223 -0.252 0.000 2.291 648 L HA -0.088 4.250 4.340 -0.003 0.000 0.214 648 L C 1.957 178.708 176.870 -0.197 0.000 1.120 648 L CA 0.712 55.353 54.840 -0.333 0.000 0.799 648 L CB -0.327 41.300 42.059 -0.721 0.000 0.925 648 L HN 0.093 nan 8.230 nan 0.000 0.446 649 E N -0.316 119.783 120.200 -0.168 0.000 2.267 649 E HA -0.223 4.125 4.350 -0.003 0.000 0.197 649 E C 2.263 178.943 176.600 0.134 0.000 0.998 649 E CA 1.290 57.773 56.400 0.138 0.000 0.830 649 E CB -0.132 29.618 29.700 0.083 0.000 0.751 649 E HN 0.320 nan 8.360 nan 0.000 0.491 650 S N -0.151 115.576 115.700 0.045 0.000 2.489 650 S HA 0.010 4.478 4.470 -0.003 0.000 0.228 650 S C 0.988 175.624 174.600 0.061 0.000 0.995 650 S CA -0.161 58.059 58.200 0.033 0.000 0.934 650 S CB -0.029 63.157 63.200 -0.022 0.000 0.771 650 S HN 0.086 nan 8.310 nan 0.000 0.522 651 L N 3.162 124.446 121.223 0.102 0.000 2.455 651 L HA 0.174 4.512 4.340 -0.003 0.000 0.272 651 L C 0.616 177.560 176.870 0.123 0.000 1.174 651 L CA -0.276 54.640 54.840 0.126 0.000 0.869 651 L CB 0.418 42.588 42.059 0.185 0.000 1.130 651 L HN 0.460 nan 8.230 nan 0.000 0.474 652 E N 2.293 122.549 120.200 0.093 0.000 2.349 652 E HA 0.066 4.414 4.350 -0.003 0.000 0.265 652 E C -0.206 176.430 176.600 0.060 0.000 1.064 652 E CA -0.860 55.581 56.400 0.069 0.000 0.886 652 E CB 1.057 30.790 29.700 0.056 0.000 1.036 652 E HN 0.501 nan 8.360 nan 0.000 0.413 653 D N 2.173 122.592 120.400 0.031 0.000 2.200 653 D HA -0.275 4.363 4.640 -0.003 0.000 0.192 653 D C 1.290 177.560 176.300 -0.051 0.000 1.008 653 D CA 2.195 56.187 54.000 -0.014 0.000 0.872 653 D CB -0.258 40.526 40.800 -0.028 0.000 0.923 653 D HN 0.719 nan 8.370 nan 0.000 0.447 654 D N 0.398 120.798 120.400 -0.000 0.000 2.123 654 D HA -0.152 4.486 4.640 -0.003 0.000 0.196 654 D C 1.506 177.725 176.300 -0.135 0.000 0.992 654 D CA 1.268 55.265 54.000 -0.005 0.000 0.833 654 D CB 0.055 40.942 40.800 0.146 0.000 0.954 654 D HN 0.053 nan 8.370 nan 0.000 0.455 655 D N -0.697 119.718 120.400 0.024 0.000 2.162 655 D HA -0.069 4.570 4.640 -0.003 0.000 0.203 655 D C 2.269 178.654 176.300 0.141 0.000 0.967 655 D CA 0.419 54.507 54.000 0.148 0.000 0.840 655 D CB 0.045 40.997 40.800 0.252 0.000 0.972 655 D HN 0.155 nan 8.370 nan 0.000 0.482 656 V N 1.521 121.499 119.914 0.106 0.000 2.469 656 V HA -0.218 3.901 4.120 -0.003 0.000 0.251 656 V C 2.626 178.734 176.094 0.024 0.000 1.064 656 V CA 1.034 63.411 62.300 0.128 0.000 1.066 656 V CB -0.427 31.439 31.823 0.072 0.000 0.667 656 V HN 0.205 nan 8.190 nan 0.000 0.461 657 L N -0.893 120.246 121.223 -0.139 0.000 2.093 657 L HA -0.191 4.147 4.340 -0.003 0.000 0.208 657 L C 2.482 179.210 176.870 -0.235 0.000 1.085 657 L CA 1.763 56.447 54.840 -0.261 0.000 0.755 657 L CB -0.664 41.130 42.059 -0.442 0.000 0.904 657 L HN 0.433 nan 8.230 nan 0.000 0.435 658 H N -1.920 117.021 119.070 -0.215 0.000 2.357 658 H HA -0.151 4.403 4.556 -0.002 0.000 0.301 658 H C 1.171 176.193 175.328 -0.509 0.000 1.082 658 H CA 1.609 57.395 56.048 -0.435 0.000 1.342 658 H CB 0.102 29.449 29.762 -0.692 0.000 1.389 658 H HN 0.314 nan 8.280 nan 0.000 0.511 659 Y N -0.559 119.806 120.300 0.109 0.000 2.485 659 Y HA 0.043 4.591 4.550 -0.003 0.000 0.260 659 Y C 1.686 177.620 175.900 0.057 0.000 1.173 659 Y CA -0.501 57.634 58.100 0.059 0.000 1.252 659 Y CB 0.374 38.869 38.460 0.059 0.000 1.123 659 Y HN 0.115 nan 8.280 nan 0.000 0.524 660 L N 0.378 121.702 121.223 0.168 0.000 1.990 660 L HA -0.243 4.095 4.340 -0.003 0.000 0.213 660 L C 2.193 179.144 176.870 0.136 0.000 1.072 660 L CA 1.713 56.671 54.840 0.196 0.000 0.755 660 L CB -0.907 41.298 42.059 0.244 0.000 0.889 660 L HN 0.313 nan 8.230 nan 0.000 0.432 661 L N -0.365 120.845 121.223 -0.021 0.000 1.971 661 L HA -0.270 4.069 4.340 -0.003 0.000 0.215 661 L C 2.595 179.316 176.870 -0.248 0.000 1.072 661 L CA 1.962 56.501 54.840 -0.501 0.000 0.758 661 L CB -1.074 40.543 42.059 -0.736 0.000 0.889 661 L HN 0.444 nan 8.230 nan 0.000 0.433 662 Q N -0.428 119.310 119.800 -0.104 0.000 2.061 662 Q HA -0.212 4.126 4.340 -0.003 0.000 0.204 662 Q C 2.389 178.391 176.000 0.004 0.000 0.984 662 Q CA 2.134 57.917 55.803 -0.034 0.000 0.846 662 Q CB -0.685 28.089 28.738 0.061 0.000 0.902 662 Q HN 0.566 nan 8.270 nan 0.000 0.421 663 L N 0.043 121.306 121.223 0.066 0.000 2.083 663 L HA -0.155 4.183 4.340 -0.003 0.000 0.209 663 L C 2.445 179.357 176.870 0.070 0.000 1.083 663 L CA 0.653 55.550 54.840 0.094 0.000 0.752 663 L CB -0.503 41.657 42.059 0.169 0.000 0.899 663 L HN 0.024 nan 8.230 nan 0.000 0.433 664 V N -0.800 119.134 119.914 0.033 0.000 2.515 664 V HA -0.219 3.899 4.120 -0.003 0.000 0.250 664 V C 2.483 178.572 176.094 -0.009 0.000 1.058 664 V CA 1.323 63.634 62.300 0.019 0.000 1.064 664 V CB -0.408 31.383 31.823 -0.053 0.000 0.675 664 V HN 0.470 nan 8.190 nan 0.000 0.461 665 Q N -0.090 119.646 119.800 -0.106 0.000 2.187 665 Q HA 0.025 4.363 4.340 -0.003 0.000 0.199 665 Q C 2.425 178.241 176.000 -0.307 0.000 0.957 665 Q CA 1.479 57.168 55.803 -0.189 0.000 0.857 665 Q CB -0.547 28.056 28.738 -0.225 0.000 0.929 665 Q HN 0.626 nan 8.270 nan 0.000 0.453 666 A N 0.560 123.282 122.820 -0.162 0.000 2.131 666 A HA -0.101 4.217 4.320 -0.003 0.000 0.220 666 A C 2.294 179.796 177.584 -0.136 0.000 1.158 666 A CA 0.997 52.973 52.037 -0.102 0.000 0.665 666 A CB -0.480 18.584 19.000 0.107 0.000 0.795 666 A HN 0.192 nan 8.150 nan 0.000 0.460 667 V N 0.043 119.897 119.914 -0.100 0.000 2.594 667 V HA -0.249 3.869 4.120 -0.003 0.000 0.253 667 V C 2.224 178.148 176.094 -0.283 0.000 1.069 667 V CA 2.145 64.394 62.300 -0.085 0.000 1.082 667 V CB -0.609 31.242 31.823 0.047 0.000 0.680 667 V HN 0.585 nan 8.190 nan 0.000 0.469 668 K N -0.414 119.642 120.400 -0.573 0.000 2.360 668 K HA -0.072 4.246 4.320 -0.003 0.000 0.201 668 K C 1.692 178.027 176.600 -0.441 0.000 1.046 668 K CA 1.319 57.059 56.287 -0.912 0.000 0.945 668 K CB -0.220 31.498 32.500 -1.302 0.000 0.750 668 K HN 0.499 nan 8.250 nan 0.000 0.464 669 F N 1.303 121.162 119.950 -0.152 0.000 2.789 669 F HA 0.060 4.586 4.527 -0.003 0.000 0.300 669 F C 0.764 176.515 175.800 -0.082 0.000 1.132 669 F CA -0.447 57.494 58.000 -0.098 0.000 1.404 669 F CB 0.367 39.318 39.000 -0.082 0.000 1.114 669 F HN -0.145 nan 8.300 nan 0.000 0.584 670 E N 2.574 122.822 120.200 0.079 0.000 2.289 670 E HA 0.058 4.406 4.350 -0.003 0.000 0.278 670 E C -1.518 175.073 176.600 -0.015 0.000 1.032 670 E CA -1.556 54.869 56.400 0.042 0.000 0.854 670 E CB 0.872 30.601 29.700 0.049 0.000 1.046 670 E HN 0.046 nan 8.360 nan 0.000 0.409 671 P HA -0.057 nan 4.420 nan 0.000 0.231 671 P C -0.412 176.557 177.300 -0.552 0.000 1.168 671 P CA 0.896 63.822 63.100 -0.291 0.000 0.779 671 P CB 0.327 31.841 31.700 -0.310 0.000 0.844 672 Y N -1.919 118.329 120.300 -0.086 0.000 2.512 672 Y HA 0.307 4.855 4.550 -0.003 0.000 0.348 672 Y C 2.077 177.935 175.900 -0.070 0.000 0.990 672 Y CA -0.888 57.135 58.100 -0.130 0.000 1.033 672 Y CB 0.891 39.332 38.460 -0.032 0.000 1.259 672 Y HN -0.213 nan 8.280 nan 0.000 0.461 673 H N -0.106 119.066 119.070 0.170 0.000 2.319 673 H HA -0.128 4.426 4.556 -0.003 0.000 0.299 673 H C 0.045 175.443 175.328 0.117 0.000 1.092 673 H CA 1.596 57.700 56.048 0.093 0.000 1.302 673 H CB -0.037 29.764 29.762 0.064 0.000 1.373 673 H HN 0.578 nan 8.280 nan 0.000 0.497 674 D N 0.981 121.556 120.400 0.292 0.000 2.295 674 D HA 0.251 4.889 4.640 -0.003 0.000 0.248 674 D C -0.338 176.072 176.300 0.183 0.000 1.154 674 D CA -0.254 53.870 54.000 0.208 0.000 0.857 674 D CB 0.776 41.697 40.800 0.202 0.000 1.117 674 D HN 0.297 nan 8.370 nan 0.000 0.468 675 S N 1.950 117.737 115.700 0.145 0.000 2.656 675 S HA 0.668 5.136 4.470 -0.003 0.000 0.273 675 S C 0.833 175.498 174.600 0.109 0.000 1.168 675 S CA -0.325 57.949 58.200 0.123 0.000 0.817 675 S CB 0.980 64.252 63.200 0.120 0.000 1.146 675 S HN 0.360 nan 8.310 nan 0.000 0.475 676 A N 0.514 123.386 122.820 0.087 0.000 1.858 676 A HA 0.038 4.356 4.320 -0.003 0.000 0.216 676 A C 2.064 179.724 177.584 0.126 0.000 1.190 676 A CA 1.812 53.901 52.037 0.085 0.000 0.617 676 A CB -1.200 17.821 19.000 0.036 0.000 0.827 676 A HN 1.109 nan 8.150 nan 0.000 0.443 677 L N -0.141 121.146 121.223 0.106 0.000 2.042 677 L HA -0.100 4.239 4.340 -0.003 0.000 0.210 677 L C 2.643 179.639 176.870 0.209 0.000 1.076 677 L CA 2.276 57.208 54.840 0.153 0.000 0.749 677 L CB -0.790 41.330 42.059 0.103 0.000 0.893 677 L HN 0.357 nan 8.230 nan 0.000 0.432 678 A N -0.435 122.481 122.820 0.160 0.000 1.902 678 A HA -0.213 4.106 4.320 -0.003 0.000 0.217 678 A C 2.427 180.101 177.584 0.151 0.000 1.181 678 A CA 1.845 53.974 52.037 0.154 0.000 0.623 678 A CB -0.527 18.554 19.000 0.135 0.000 0.818 678 A HN 0.525 nan 8.150 nan 0.000 0.443 679 R N -2.172 118.419 120.500 0.153 0.000 2.115 679 R HA -0.022 4.316 4.340 -0.003 0.000 0.226 679 R C 1.960 178.356 176.300 0.160 0.000 1.100 679 R CA 1.240 57.421 56.100 0.135 0.000 0.980 679 R CB -0.414 29.958 30.300 0.120 0.000 0.875 679 R HN 0.593 nan 8.270 nan 0.000 0.445 680 F N 1.660 121.642 119.950 0.053 0.000 2.134 680 F HA -0.146 4.379 4.527 -0.002 0.000 0.299 680 F C 1.772 177.602 175.800 0.051 0.000 1.097 680 F CA 1.382 59.411 58.000 0.048 0.000 1.264 680 F CB -0.178 38.848 39.000 0.044 0.000 1.001 680 F HN -0.122 nan 8.300 nan 0.000 0.479 681 L N -0.407 120.831 121.223 0.025 0.000 2.027 681 L HA -0.211 4.128 4.340 -0.003 0.000 0.206 681 L C 2.608 179.422 176.870 -0.093 0.000 1.074 681 L CA 1.169 55.958 54.840 -0.084 0.000 0.745 681 L CB -0.886 41.208 42.059 0.058 0.000 0.898 681 L HN 0.242 nan 8.230 nan 0.000 0.433 682 L N 0.247 121.473 121.223 0.004 0.000 1.990 682 L HA -0.315 4.023 4.340 -0.003 0.000 0.213 682 L C 2.824 179.713 176.870 0.031 0.000 1.072 682 L CA 1.795 56.667 54.840 0.053 0.000 0.755 682 L CB -0.297 41.815 42.059 0.089 0.000 0.889 682 L HN 0.312 nan 8.230 nan 0.000 0.432 683 K N -0.535 119.853 120.400 -0.019 0.000 2.009 683 K HA -0.228 4.091 4.320 -0.003 0.000 0.210 683 K C 2.121 178.663 176.600 -0.097 0.000 1.049 683 K CA 1.400 57.661 56.287 -0.043 0.000 0.929 683 K CB -0.030 32.446 32.500 -0.040 0.000 0.714 683 K HN 0.210 nan 8.250 nan 0.000 0.440 684 R N -0.229 120.125 120.500 -0.243 0.000 2.189 684 R HA -0.038 4.300 4.340 -0.003 0.000 0.223 684 R C 2.228 178.466 176.300 -0.104 0.000 1.092 684 R CA 1.134 57.088 56.100 -0.243 0.000 0.989 684 R CB -0.819 29.195 30.300 -0.476 0.000 0.876 684 R HN 0.465 nan 8.270 nan 0.000 0.457 685 G N 0.497 109.253 108.800 -0.073 0.000 2.396 685 G HA2 -0.117 3.841 3.960 -0.003 0.000 0.214 685 G HA3 -0.117 3.841 3.960 -0.003 0.000 0.214 685 G C 1.507 176.578 174.900 0.285 0.000 1.166 685 G CA -0.059 45.020 45.100 -0.035 0.000 0.793 685 G HN 0.196 nan 8.290 nan 0.000 0.533 686 L N -0.238 121.148 121.223 0.272 0.000 2.291 686 L HA 0.142 4.481 4.340 -0.003 0.000 0.214 686 L C 2.714 179.600 176.870 0.026 0.000 1.120 686 L CA 0.414 55.373 54.840 0.198 0.000 0.799 686 L CB -0.145 41.953 42.059 0.065 0.000 0.925 686 L HN 0.127 nan 8.230 nan 0.000 0.446 687 R N 0.283 120.814 120.500 0.051 0.000 2.297 687 R HA 0.016 4.354 4.340 -0.003 0.000 0.197 687 R C 0.047 176.461 176.300 0.190 0.000 0.943 687 R CA 0.221 56.343 56.100 0.036 0.000 1.038 687 R CB 0.287 30.587 30.300 0.000 0.000 0.957 687 R HN 0.262 nan 8.270 nan 0.000 0.484 688 N N 0.148 119.014 118.700 0.277 0.000 2.493 688 N HA 0.044 4.783 4.740 -0.003 0.000 0.279 688 N C -0.443 175.192 175.510 0.207 0.000 1.082 688 N CA -0.284 52.910 53.050 0.241 0.000 0.963 688 N CB 1.672 40.210 38.487 0.085 0.000 1.627 688 N HN -0.163 nan 8.380 nan 0.000 0.499 689 K N 1.627 122.064 120.400 0.061 0.000 2.097 689 K HA -0.064 4.254 4.320 -0.003 0.000 0.205 689 K C 1.711 178.288 176.600 -0.038 0.000 1.050 689 K CA 0.967 57.207 56.287 -0.079 0.000 0.938 689 K CB 0.296 32.536 32.500 -0.433 0.000 0.718 689 K HN 0.463 nan 8.250 nan 0.000 0.442 690 R N 1.138 121.604 120.500 -0.057 0.000 2.066 690 R HA -0.039 4.299 4.340 -0.003 0.000 0.232 690 R C 2.226 178.585 176.300 0.098 0.000 1.131 690 R CA 1.056 57.155 56.100 -0.001 0.000 0.955 690 R CB -0.136 30.054 30.300 -0.182 0.000 0.851 690 R HN 0.108 nan 8.270 nan 0.000 0.432 691 I N -0.010 120.555 120.570 -0.007 0.000 2.226 691 I HA -0.190 3.978 4.170 -0.003 0.000 0.245 691 I C 2.416 178.518 176.117 -0.026 0.000 1.100 691 I CA 1.501 62.783 61.300 -0.030 0.000 1.374 691 I CB -0.558 37.401 38.000 -0.068 0.000 1.057 691 I HN 0.402 nan 8.210 nan 0.000 0.413 692 G N -0.360 108.442 108.800 0.003 0.000 2.408 692 G HA2 -0.327 3.632 3.960 -0.003 0.000 0.217 692 G HA3 -0.327 3.632 3.960 -0.003 0.000 0.217 692 G C 1.483 176.400 174.900 0.029 0.000 1.150 692 G CA 1.128 46.151 45.100 -0.129 0.000 0.776 692 G HN 0.416 nan 8.290 nan 0.000 0.542 693 H N 0.064 119.208 119.070 0.125 0.000 2.319 693 H HA -0.026 4.528 4.556 -0.003 0.000 0.299 693 H C 2.087 177.421 175.328 0.009 0.000 1.092 693 H CA 1.646 57.801 56.048 0.177 0.000 1.302 693 H CB -0.373 29.393 29.762 0.007 0.000 1.373 693 H HN 0.333 nan 8.280 nan 0.000 0.497 694 F N -0.667 119.139 119.950 -0.241 0.000 2.259 694 F HA -0.037 4.489 4.527 -0.003 0.000 0.298 694 F C 2.323 177.661 175.800 -0.770 0.000 1.088 694 F CA 0.633 58.248 58.000 -0.642 0.000 1.358 694 F CB -0.365 38.184 39.000 -0.750 0.000 1.040 694 F HN 0.221 nan 8.300 nan 0.000 0.505 695 L N -0.774 120.275 121.223 -0.290 0.000 2.083 695 L HA -0.188 4.150 4.340 -0.003 0.000 0.209 695 L C 2.193 178.881 176.870 -0.302 0.000 1.083 695 L CA 1.485 56.174 54.840 -0.251 0.000 0.752 695 L CB -0.901 40.958 42.059 -0.335 0.000 0.899 695 L HN 0.153 nan 8.230 nan 0.000 0.433 696 F N -0.822 118.802 119.950 -0.542 0.000 2.051 696 F HA -0.246 4.280 4.527 -0.002 0.000 0.296 696 F C 1.891 177.301 175.800 -0.650 0.000 1.122 696 F CA 2.003 59.581 58.000 -0.703 0.000 1.201 696 F CB -0.747 37.549 39.000 -1.173 0.000 0.978 696 F HN 0.098 nan 8.300 nan 0.000 0.472 697 W N -0.230 120.824 121.300 -0.410 0.000 2.363 697 W HA -0.138 4.520 4.660 -0.003 0.000 0.296 697 W C 2.567 178.973 176.519 -0.189 0.000 1.212 697 W CA 1.371 58.499 57.345 -0.361 0.000 1.260 697 W CB -0.949 28.325 29.460 -0.310 0.000 1.131 697 W HN 0.040 nan 8.180 nan 0.000 0.530 698 F N 0.010 119.919 119.950 -0.068 0.000 2.095 698 F HA -0.279 4.247 4.527 -0.002 0.000 0.298 698 F C 2.180 177.775 175.800 -0.341 0.000 1.104 698 F CA 0.791 58.702 58.000 -0.148 0.000 1.232 698 F CB -0.809 38.118 39.000 -0.121 0.000 0.987 698 F HN -0.181 nan 8.300 nan 0.000 0.475 699 L N -0.290 120.789 121.223 -0.241 0.000 2.056 699 L HA -0.190 4.148 4.340 -0.003 0.000 0.207 699 L C 2.498 179.111 176.870 -0.429 0.000 1.078 699 L CA 1.113 55.662 54.840 -0.485 0.000 0.749 699 L CB -0.625 41.197 42.059 -0.395 0.000 0.901 699 L HN 0.044 nan 8.230 nan 0.000 0.433 700 R N 0.223 120.437 120.500 -0.477 0.000 2.120 700 R HA -0.166 4.172 4.340 -0.003 0.000 0.234 700 R C 2.622 178.805 176.300 -0.195 0.000 1.123 700 R CA 1.566 57.403 56.100 -0.439 0.000 0.975 700 R CB -0.093 29.746 30.300 -0.769 0.000 0.866 700 R HN 0.489 nan 8.270 nan 0.000 0.446 701 S N 0.159 115.794 115.700 -0.109 0.000 2.382 701 S HA -0.103 4.366 4.470 -0.003 0.000 0.228 701 S C 1.560 176.117 174.600 -0.071 0.000 1.027 701 S CA 0.895 59.077 58.200 -0.030 0.000 0.991 701 S CB -0.086 63.123 63.200 0.016 0.000 0.823 701 S HN 0.299 nan 8.310 nan 0.000 0.469 702 E N 1.235 121.340 120.200 -0.159 0.000 2.158 702 E HA 0.080 4.428 4.350 -0.003 0.000 0.191 702 E C 2.176 178.769 176.600 -0.012 0.000 0.982 702 E CA 0.473 56.805 56.400 -0.114 0.000 0.823 702 E CB -0.310 29.209 29.700 -0.301 0.000 0.766 702 E HN 0.486 nan 8.360 nan 0.000 0.468 703 I N 1.145 121.676 120.570 -0.065 0.000 2.315 703 I HA -0.176 3.992 4.170 -0.003 0.000 0.248 703 I C 2.330 178.441 176.117 -0.010 0.000 1.117 703 I CA 0.930 62.213 61.300 -0.029 0.000 1.404 703 I CB -1.246 36.711 38.000 -0.070 0.000 1.071 703 I HN -0.062 nan 8.210 nan 0.000 0.419 704 A N 0.906 123.721 122.820 -0.009 0.000 1.897 704 A HA -0.169 4.149 4.320 -0.003 0.000 0.215 704 A C 1.935 179.549 177.584 0.049 0.000 1.181 704 A CA 1.255 53.309 52.037 0.029 0.000 0.620 704 A CB -0.425 18.595 19.000 0.033 0.000 0.821 704 A HN 0.657 nan 8.150 nan 0.000 0.443 705 Q N -1.258 118.569 119.800 0.044 0.000 2.159 705 Q HA 0.343 4.682 4.340 -0.003 0.000 0.217 705 Q C 0.071 176.114 176.000 0.070 0.000 0.818 705 Q CA 0.316 56.154 55.803 0.059 0.000 1.008 705 Q CB 0.312 29.079 28.738 0.049 0.000 1.148 705 Q HN 0.289 nan 8.270 nan 0.000 0.491 706 S N 1.484 117.231 115.700 0.079 0.000 2.542 706 S HA 0.227 4.696 4.470 -0.003 0.000 0.245 706 S C 0.778 175.448 174.600 0.117 0.000 1.325 706 S CA -0.786 57.486 58.200 0.121 0.000 1.176 706 S CB 0.388 63.682 63.200 0.157 0.000 1.045 706 S HN 0.481 nan 8.310 nan 0.000 0.481 707 R N 2.391 122.967 120.500 0.126 0.000 2.237 707 R HA -0.056 4.282 4.340 -0.003 0.000 0.219 707 R C 0.752 177.057 176.300 0.009 0.000 1.080 707 R CA 1.411 57.569 56.100 0.097 0.000 0.995 707 R CB -0.631 29.791 30.300 0.204 0.000 0.875 707 R HN 0.569 nan 8.270 nan 0.000 0.462 708 H N -0.756 118.163 119.070 -0.251 0.000 2.462 708 H HA -0.007 4.547 4.556 -0.003 0.000 0.292 708 H C 0.320 175.306 175.328 -0.569 0.000 1.049 708 H CA 1.376 57.078 56.048 -0.575 0.000 1.334 708 H CB 0.146 29.523 29.762 -0.642 0.000 1.404 708 H HN 0.275 nan 8.280 nan 0.000 0.544 709 Y N -0.287 120.005 120.300 -0.013 0.000 2.672 709 Y HA 0.056 4.605 4.550 -0.003 0.000 0.252 709 Y C 1.731 177.582 175.900 -0.082 0.000 1.132 709 Y CA -0.388 57.649 58.100 -0.105 0.000 1.228 709 Y CB 0.403 38.741 38.460 -0.203 0.000 1.310 709 Y HN 0.214 nan 8.280 nan 0.000 0.549 710 Q N 0.156 119.966 119.800 0.017 0.000 2.124 710 Q HA -0.218 4.121 4.340 -0.003 0.000 0.202 710 Q C 1.251 177.066 176.000 -0.308 0.000 0.977 710 Q CA 1.816 57.547 55.803 -0.119 0.000 0.850 710 Q CB -0.249 28.311 28.738 -0.297 0.000 0.901 710 Q HN 0.529 nan 8.270 nan 0.000 0.429 711 Q N 0.665 120.253 119.800 -0.353 0.000 2.050 711 Q HA -0.156 4.183 4.340 -0.003 0.000 0.202 711 Q C 2.284 178.167 176.000 -0.196 0.000 0.980 711 Q CA 1.648 57.283 55.803 -0.280 0.000 0.840 711 Q CB -0.168 28.471 28.738 -0.164 0.000 0.898 711 Q HN 0.405 nan 8.270 nan 0.000 0.424 712 R N 0.220 120.590 120.500 -0.215 0.000 2.073 712 R HA -0.128 4.211 4.340 -0.003 0.000 0.234 712 R C 2.046 178.290 176.300 -0.094 0.000 1.134 712 R CA 1.345 57.310 56.100 -0.225 0.000 0.952 712 R CB -0.248 29.984 30.300 -0.114 0.000 0.850 712 R HN 0.216 nan 8.270 nan 0.000 0.433 713 F N 0.567 120.506 119.950 -0.018 0.000 2.134 713 F HA -0.139 4.386 4.527 -0.003 0.000 0.299 713 F C 2.625 178.394 175.800 -0.051 0.000 1.097 713 F CA 0.604 58.584 58.000 -0.034 0.000 1.264 713 F CB -0.214 38.756 39.000 -0.051 0.000 1.001 713 F HN 0.238 nan 8.300 nan 0.000 0.479 714 A N -0.156 122.740 122.820 0.127 0.000 1.940 714 A HA -0.165 4.154 4.320 -0.003 0.000 0.219 714 A C 2.240 179.874 177.584 0.084 0.000 1.176 714 A CA 1.850 53.945 52.037 0.097 0.000 0.631 714 A CB -1.150 17.957 19.000 0.180 0.000 0.814 714 A HN 0.200 nan 8.150 nan 0.000 0.446 715 V N -0.469 119.479 119.914 0.057 0.000 2.427 715 V HA -0.207 3.912 4.120 -0.003 0.000 0.248 715 V C 2.305 178.436 176.094 0.062 0.000 1.051 715 V CA 1.843 64.165 62.300 0.037 0.000 1.048 715 V CB -0.589 31.222 31.823 -0.020 0.000 0.666 715 V HN 0.509 nan 8.190 nan 0.000 0.456 716 I N -0.807 119.820 120.570 0.094 0.000 2.353 716 I HA -0.148 4.021 4.170 -0.003 0.000 0.248 716 I C 2.119 178.308 176.117 0.119 0.000 1.119 716 I CA 1.285 62.657 61.300 0.120 0.000 1.417 716 I CB -0.420 37.686 38.000 0.177 0.000 1.078 716 I HN 0.182 nan 8.210 nan 0.000 0.421 717 L N 0.140 121.417 121.223 0.090 0.000 2.005 717 L HA -0.234 4.105 4.340 -0.003 0.000 0.207 717 L C 2.566 179.499 176.870 0.106 0.000 1.072 717 L CA 1.674 56.555 54.840 0.068 0.000 0.744 717 L CB -0.351 41.676 42.059 -0.054 0.000 0.895 717 L HN 0.343 nan 8.230 nan 0.000 0.433 718 E N 0.029 120.264 120.200 0.059 0.000 2.049 718 E HA -0.314 4.034 4.350 -0.003 0.000 0.198 718 E C 2.030 178.662 176.600 0.053 0.000 1.007 718 E CA 1.596 58.015 56.400 0.032 0.000 0.809 718 E CB -0.117 29.592 29.700 0.016 0.000 0.749 718 E HN 0.555 nan 8.360 nan 0.000 0.450 719 A N 0.175 123.041 122.820 0.076 0.000 1.948 719 A HA -0.239 4.079 4.320 -0.003 0.000 0.220 719 A C 2.076 179.726 177.584 0.110 0.000 1.177 719 A CA 1.799 53.886 52.037 0.083 0.000 0.636 719 A CB -0.956 18.097 19.000 0.088 0.000 0.815 719 A HN 0.663 nan 8.150 nan 0.000 0.449 720 Y N 0.228 120.553 120.300 0.043 0.000 2.286 720 Y HA 0.049 4.598 4.550 -0.002 0.000 0.293 720 Y C 1.785 177.739 175.900 0.091 0.000 1.124 720 Y CA 1.287 59.423 58.100 0.061 0.000 1.178 720 Y CB -0.202 38.292 38.460 0.057 0.000 1.010 720 Y HN 0.195 nan 8.280 nan 0.000 0.536 721 L N -0.052 121.115 121.223 -0.092 0.000 2.291 721 L HA -0.085 4.254 4.340 -0.003 0.000 0.214 721 L C 1.800 178.624 176.870 -0.076 0.000 1.120 721 L CA 0.961 55.725 54.840 -0.126 0.000 0.799 721 L CB -0.388 41.663 42.059 -0.014 0.000 0.925 721 L HN 0.053 nan 8.230 nan 0.000 0.446 722 R N 0.204 120.691 120.500 -0.021 0.000 2.363 722 R HA 0.107 4.445 4.340 -0.003 0.000 0.236 722 R C 0.991 177.305 176.300 0.024 0.000 0.966 722 R CA 0.456 56.605 56.100 0.081 0.000 1.100 722 R CB 0.176 30.539 30.300 0.105 0.000 1.125 722 R HN 0.325 nan 8.270 nan 0.000 0.514 723 G N -0.843 107.910 108.800 -0.078 0.000 4.490 723 G HA2 -0.069 3.889 3.960 -0.003 0.000 0.233 723 G HA3 -0.069 3.889 3.960 -0.003 0.000 0.233 723 G C 0.737 175.550 174.900 -0.145 0.000 1.027 723 G CA -0.250 44.797 45.100 -0.089 0.000 0.829 723 G HN 0.391 nan 8.290 nan 0.000 0.343 724 C N -0.875 118.291 119.300 -0.223 0.000 2.590 724 C HA 0.672 5.130 4.460 -0.003 0.000 0.272 724 C C 1.456 176.472 174.990 0.043 0.000 1.338 724 C CA 0.311 59.243 59.018 -0.144 0.000 1.746 724 C CB -0.574 26.921 27.740 -0.407 0.000 2.020 724 C HN 1.471 nan 8.230 nan 0.000 0.531 725 G N -0.249 108.551 108.800 0.001 0.000 2.381 725 G HA2 0.150 4.109 3.960 -0.003 0.000 0.672 725 G HA3 0.150 4.109 3.960 -0.003 0.000 0.672 725 G C 0.006 174.911 174.900 0.009 0.000 1.324 725 G CA 0.032 45.149 45.100 0.028 0.000 0.975 725 G HN 0.159 nan 8.290 nan 0.000 0.593 726 T N 0.697 115.254 114.554 0.006 0.000 3.035 726 T HA 0.302 4.651 4.350 -0.003 0.000 0.259 726 T C 2.723 177.418 174.700 -0.008 0.000 1.078 726 T CA 2.203 64.310 62.100 0.011 0.000 1.132 726 T CB -0.176 68.689 68.868 -0.006 0.000 0.900 726 T HN 1.364 nan 8.240 nan 0.000 0.480 727 A N 2.218 125.016 122.820 -0.038 0.000 1.845 727 A HA -0.021 4.298 4.320 -0.003 0.000 0.215 727 A C 2.326 179.833 177.584 -0.128 0.000 1.195 727 A CA 1.333 53.335 52.037 -0.058 0.000 0.616 727 A CB -0.642 18.309 19.000 -0.081 0.000 0.832 727 A HN 0.370 nan 8.150 nan 0.000 0.443 728 M N -1.345 118.119 119.600 -0.227 0.000 2.229 728 M HA -0.080 4.398 4.480 -0.003 0.000 0.264 728 M C 2.031 177.994 176.300 -0.562 0.000 1.063 728 M CA 1.036 56.027 55.300 -0.514 0.000 1.114 728 M CB -0.566 31.747 32.600 -0.478 0.000 1.387 728 M HN 0.347 nan 8.290 nan 0.000 0.420 729 L N -0.395 120.715 121.223 -0.187 0.000 2.265 729 L HA -0.198 4.140 4.340 -0.003 0.000 0.215 729 L C 2.407 179.281 176.870 0.006 0.000 1.117 729 L CA 1.824 56.654 54.840 -0.016 0.000 0.782 729 L CB -0.847 41.251 42.059 0.064 0.000 0.914 729 L HN 0.302 nan 8.230 nan 0.000 0.441 730 H N -1.219 117.773 119.070 -0.131 0.000 2.399 730 H HA -0.033 4.522 4.556 -0.002 0.000 0.300 730 H C 1.793 177.057 175.328 -0.107 0.000 1.048 730 H CA 1.352 57.350 56.048 -0.084 0.000 1.370 730 H CB 0.174 29.893 29.762 -0.071 0.000 1.428 730 H HN 0.251 nan 8.280 nan 0.000 0.534 731 D N 0.253 120.475 120.400 -0.296 0.000 2.097 731 D HA -0.185 4.454 4.640 -0.003 0.000 0.195 731 D C 2.176 178.350 176.300 -0.209 0.000 0.989 731 D CA 1.243 55.047 54.000 -0.327 0.000 0.827 731 D CB -0.663 39.895 40.800 -0.404 0.000 0.966 731 D HN 0.427 nan 8.370 nan 0.000 0.456 732 F N 1.355 121.153 119.950 -0.253 0.000 2.154 732 F HA -0.207 4.319 4.527 -0.002 0.000 0.301 732 F C 2.696 178.377 175.800 -0.198 0.000 1.087 732 F CA 0.928 58.684 58.000 -0.406 0.000 1.274 732 F CB -0.396 38.100 39.000 -0.841 0.000 1.009 732 F HN -0.058 nan 8.300 nan 0.000 0.485 733 T N -0.727 113.834 114.554 0.011 0.000 2.708 733 T HA -0.188 4.161 4.350 -0.003 0.000 0.266 733 T C 1.918 176.609 174.700 -0.015 0.000 1.037 733 T CA 1.130 63.233 62.100 0.004 0.000 1.146 733 T CB -0.276 68.587 68.868 -0.008 0.000 0.865 733 T HN 0.161 nan 8.240 nan 0.000 0.435 734 Q N 1.358 121.094 119.800 -0.108 0.000 2.096 734 Q HA -0.112 4.227 4.340 -0.003 0.000 0.204 734 Q C 2.411 178.434 176.000 0.039 0.000 0.982 734 Q CA 1.514 57.281 55.803 -0.061 0.000 0.850 734 Q CB -0.501 28.172 28.738 -0.107 0.000 0.901 734 Q HN 0.664 nan 8.270 nan 0.000 0.422 735 Q N -0.106 119.778 119.800 0.140 0.000 2.050 735 Q HA -0.092 4.247 4.340 -0.003 0.000 0.202 735 Q C 2.317 178.478 176.000 0.268 0.000 0.980 735 Q CA 1.505 57.466 55.803 0.263 0.000 0.840 735 Q CB -0.111 28.969 28.738 0.569 0.000 0.898 735 Q HN 0.166 nan 8.270 nan 0.000 0.424 736 V N 1.270 121.349 119.914 0.275 0.000 2.343 736 V HA -0.299 3.819 4.120 -0.003 0.000 0.247 736 V C 2.211 178.384 176.094 0.133 0.000 1.051 736 V CA 1.884 64.330 62.300 0.243 0.000 1.036 736 V CB -0.670 31.251 31.823 0.164 0.000 0.654 736 V HN 0.373 nan 8.190 nan 0.000 0.451 737 Q N -0.392 119.450 119.800 0.070 0.000 2.002 737 Q HA -0.198 4.140 4.340 -0.003 0.000 0.204 737 Q C 2.405 178.396 176.000 -0.016 0.000 0.988 737 Q CA 2.208 58.026 55.803 0.025 0.000 0.843 737 Q CB -0.443 28.299 28.738 0.008 0.000 0.908 737 Q HN 0.543 nan 8.270 nan 0.000 0.420 738 V N 1.263 121.117 119.914 -0.099 0.000 2.282 738 V HA -0.296 3.822 4.120 -0.003 0.000 0.249 738 V C 2.280 178.306 176.094 -0.113 0.000 1.057 738 V CA 1.440 63.593 62.300 -0.245 0.000 1.032 738 V CB -0.579 30.791 31.823 -0.755 0.000 0.645 738 V HN 0.370 nan 8.190 nan 0.000 0.447 739 I N 0.052 120.635 120.570 0.023 0.000 2.099 739 I HA -0.231 3.937 4.170 -0.003 0.000 0.239 739 I C 2.432 178.655 176.117 0.176 0.000 1.066 739 I CA 1.874 63.301 61.300 0.211 0.000 1.324 739 I CB -1.377 36.779 38.000 0.259 0.000 1.037 739 I HN 0.387 nan 8.210 nan 0.000 0.401 740 D N 0.497 120.973 120.400 0.125 0.000 2.127 740 D HA -0.242 4.396 4.640 -0.003 0.000 0.190 740 D C 2.318 178.649 176.300 0.051 0.000 1.000 740 D CA 1.619 55.675 54.000 0.093 0.000 0.839 740 D CB -0.220 40.624 40.800 0.072 0.000 0.955 740 D HN 0.316 nan 8.370 nan 0.000 0.446 741 M N 0.159 119.767 119.600 0.014 0.000 2.106 741 M HA -0.180 4.299 4.480 -0.003 0.000 0.259 741 M C 2.440 178.709 176.300 -0.051 0.000 1.068 741 M CA 1.251 56.540 55.300 -0.019 0.000 1.100 741 M CB -0.292 32.287 32.600 -0.035 0.000 1.351 741 M HN -0.000 nan 8.290 nan 0.000 0.404 742 L N -0.501 120.661 121.223 -0.101 0.000 2.217 742 L HA -0.168 4.171 4.340 -0.003 0.000 0.211 742 L C 2.745 179.561 176.870 -0.090 0.000 1.107 742 L CA 0.573 55.266 54.840 -0.244 0.000 0.783 742 L CB -0.575 41.050 42.059 -0.723 0.000 0.919 742 L HN 0.371 nan 8.230 nan 0.000 0.442 743 Q N 0.341 120.183 119.800 0.070 0.000 2.020 743 Q HA -0.254 4.084 4.340 -0.003 0.000 0.202 743 Q C 2.126 178.159 176.000 0.055 0.000 0.982 743 Q CA 1.480 57.366 55.803 0.138 0.000 0.838 743 Q CB -0.294 28.534 28.738 0.150 0.000 0.899 743 Q HN 0.432 nan 8.270 nan 0.000 0.423 744 K N 0.656 121.071 120.400 0.025 0.000 2.044 744 K HA -0.168 4.150 4.320 -0.003 0.000 0.210 744 K C 2.120 178.714 176.600 -0.010 0.000 1.049 744 K CA 1.727 58.015 56.287 0.002 0.000 0.927 744 K CB -0.026 32.474 32.500 0.000 0.000 0.713 744 K HN 0.025 nan 8.250 nan 0.000 0.443 745 V N 1.080 120.982 119.914 -0.021 0.000 2.220 745 V HA -0.296 3.822 4.120 -0.003 0.000 0.246 745 V C 2.300 178.389 176.094 -0.008 0.000 1.049 745 V CA 2.521 64.805 62.300 -0.026 0.000 1.003 745 V CB -1.180 30.610 31.823 -0.056 0.000 0.634 745 V HN 0.474 nan 8.190 nan 0.000 0.444 746 T N 0.453 115.011 114.554 0.007 0.000 2.680 746 T HA -0.256 4.093 4.350 -0.003 0.000 0.268 746 T C 1.737 176.459 174.700 0.037 0.000 1.033 746 T CA 2.363 64.498 62.100 0.060 0.000 1.152 746 T CB -0.402 68.556 68.868 0.150 0.000 0.859 746 T HN 0.298 nan 8.240 nan 0.000 0.452 747 I N 0.964 121.525 120.570 -0.016 0.000 2.406 747 I HA -0.017 4.151 4.170 -0.003 0.000 0.249 747 I C 1.993 178.079 176.117 -0.051 0.000 1.122 747 I CA 0.991 62.233 61.300 -0.096 0.000 1.431 747 I CB -0.386 37.504 38.000 -0.185 0.000 1.087 747 I HN 0.046 nan 8.210 nan 0.000 0.424 748 D N 0.245 120.628 120.400 -0.028 0.000 2.310 748 D HA -0.050 4.588 4.640 -0.003 0.000 0.212 748 D C 2.216 178.515 176.300 -0.002 0.000 0.965 748 D CA 1.143 55.134 54.000 -0.015 0.000 0.879 748 D CB 0.019 40.812 40.800 -0.012 0.000 0.921 748 D HN 0.340 nan 8.370 nan 0.000 0.510 749 I N 0.012 120.586 120.570 0.007 0.000 2.585 749 I HA -0.065 4.104 4.170 -0.003 0.000 0.254 749 I C 2.253 178.387 176.117 0.029 0.000 1.129 749 I CA 0.370 61.682 61.300 0.019 0.000 1.455 749 I CB -0.016 38.002 38.000 0.029 0.000 1.111 749 I HN -0.182 nan 8.210 nan 0.000 0.433 750 K N 1.446 121.867 120.400 0.035 0.000 2.280 750 K HA -0.151 4.168 4.320 -0.003 0.000 0.202 750 K C 2.155 178.778 176.600 0.038 0.000 1.047 750 K CA 1.556 57.873 56.287 0.051 0.000 0.942 750 K CB -0.004 32.541 32.500 0.075 0.000 0.739 750 K HN 0.390 nan 8.250 nan 0.000 0.457 751 S N 0.359 116.071 115.700 0.019 0.000 2.500 751 S HA -0.082 4.387 4.470 -0.003 0.000 0.239 751 S C 0.814 175.424 174.600 0.017 0.000 0.989 751 S CA 0.430 58.639 58.200 0.016 0.000 0.951 751 S CB -0.346 62.856 63.200 0.004 0.000 0.759 751 S HN 0.224 nan 8.310 nan 0.000 0.523 752 L N 2.793 124.027 121.223 0.019 0.000 2.352 752 L HA 0.430 4.768 4.340 -0.003 0.000 0.272 752 L C 0.243 177.124 176.870 0.019 0.000 1.109 752 L CA -0.298 54.551 54.840 0.015 0.000 0.952 752 L CB 0.065 42.132 42.059 0.014 0.000 1.314 752 L HN 0.335 nan 8.230 nan 0.000 0.427 753 S N 2.118 117.827 115.700 0.015 0.000 3.027 753 S HA -0.081 4.388 4.470 -0.003 0.000 0.809 753 S C 0.289 174.906 174.600 0.028 0.000 0.729 753 S CA 0.226 58.434 58.200 0.013 0.000 1.515 753 S CB -0.376 62.827 63.200 0.006 0.000 1.062 753 S HN 0.851 nan 8.310 nan 0.000 0.682 754 A N 4.081 126.918 122.820 0.028 0.000 2.508 754 A HA 0.480 4.798 4.320 -0.003 0.000 0.250 754 A C 1.102 178.710 177.584 0.039 0.000 1.208 754 A CA 0.598 52.661 52.037 0.042 0.000 0.960 754 A CB 0.207 19.235 19.000 0.046 0.000 1.099 754 A HN 0.802 nan 8.150 nan 0.000 0.542 755 E N -0.268 119.946 120.200 0.022 0.000 2.641 755 E HA 0.127 4.475 4.350 -0.003 0.000 0.224 755 E C -0.815 175.781 176.600 -0.007 0.000 0.951 755 E CA 0.051 56.462 56.400 0.017 0.000 1.102 755 E CB 0.344 30.048 29.700 0.006 0.000 1.091 755 E HN 0.045 nan 8.360 nan 0.000 0.507 756 K N 1.110 121.489 120.400 -0.034 0.000 2.740 756 K HA 0.128 4.447 4.320 -0.003 0.000 0.246 756 K C -1.249 175.256 176.600 -0.157 0.000 1.021 756 K CA -0.711 55.481 56.287 -0.158 0.000 1.021 756 K CB 0.455 32.847 32.500 -0.180 0.000 1.233 756 K HN 0.121 nan 8.250 nan 0.000 0.497 757 Y N 0.492 120.790 120.300 -0.003 0.000 2.802 757 Y HA 0.240 4.788 4.550 -0.003 0.000 0.333 757 Y C 0.063 175.961 175.900 -0.002 0.000 1.244 757 Y CA 0.081 58.180 58.100 -0.003 0.000 1.558 757 Y CB 0.425 38.880 38.460 -0.009 0.000 1.233 757 Y HN 0.401 nan 8.280 nan 0.000 0.547 758 D N 3.733 124.181 120.400 0.080 0.000 2.732 758 D HA -0.002 4.636 4.640 -0.003 0.000 0.203 758 D C -1.424 174.897 176.300 0.035 0.000 1.342 758 D CA -0.313 53.706 54.000 0.032 0.000 1.190 758 D CB 0.676 41.444 40.800 -0.052 0.000 1.406 758 D HN 0.500 nan 8.370 nan 0.000 0.597 759 V N 2.705 122.650 119.914 0.052 0.000 2.399 759 V HA 0.018 4.136 4.120 -0.003 0.000 0.245 759 V C 1.081 177.187 176.094 0.020 0.000 1.089 759 V CA 0.211 62.532 62.300 0.036 0.000 1.196 759 V CB -0.416 31.427 31.823 0.033 0.000 1.221 759 V HN 0.390 nan 8.190 nan 0.000 0.482 760 S N 3.491 119.199 115.700 0.013 0.000 2.542 760 S HA -0.061 4.407 4.470 -0.003 0.000 0.287 760 S C 1.687 176.290 174.600 0.005 0.000 1.315 760 S CA 0.335 58.539 58.200 0.006 0.000 1.037 760 S CB 0.667 63.869 63.200 0.003 0.000 0.822 760 S HN 1.045 nan 8.310 nan 0.000 0.513 761 S N 1.784 117.486 115.700 0.002 0.000 2.383 761 S HA -0.227 4.242 4.470 -0.003 0.000 0.227 761 S C 1.783 176.384 174.600 0.001 0.000 1.026 761 S CA 1.042 59.243 58.200 0.001 0.000 0.981 761 S CB -0.542 62.658 63.200 -0.001 0.000 0.818 761 S HN 0.856 nan 8.310 nan 0.000 0.472 762 Q N 0.779 120.579 119.800 0.001 0.000 2.167 762 Q HA 0.049 4.388 4.340 -0.003 0.000 0.202 762 Q C 2.160 178.161 176.000 0.003 0.000 0.970 762 Q CA 1.348 57.151 55.803 0.001 0.000 0.855 762 Q CB -0.758 27.980 28.738 0.000 0.000 0.911 762 Q HN 0.405 nan 8.270 nan 0.000 0.438 763 V N 1.161 121.078 119.914 0.005 0.000 2.295 763 V HA -0.202 3.917 4.120 -0.003 0.000 0.246 763 V C 2.110 178.209 176.094 0.009 0.000 1.049 763 V CA 1.336 63.642 62.300 0.009 0.000 1.024 763 V CB -0.324 31.508 31.823 0.014 0.000 0.648 763 V HN 0.445 nan 8.190 nan 0.000 0.447 764 I N 0.216 120.791 120.570 0.008 0.000 2.614 764 I HA -0.128 4.041 4.170 -0.003 0.000 0.258 764 I C 2.660 178.779 176.117 0.003 0.000 1.189 764 I CA 1.973 63.277 61.300 0.007 0.000 1.462 764 I CB -1.366 36.636 38.000 0.002 0.000 1.092 764 I HN 0.447 nan 8.210 nan 0.000 0.442 765 S N 0.198 115.899 115.700 0.002 0.000 2.377 765 S HA -0.204 4.264 4.470 -0.003 0.000 0.223 765 S C 1.989 176.588 174.600 -0.001 0.000 1.030 765 S CA 1.203 59.402 58.200 -0.000 0.000 0.970 765 S CB 0.002 63.202 63.200 -0.000 0.000 0.830 765 S HN 0.527 nan 8.310 nan 0.000 0.473 766 Q N -0.003 119.798 119.800 0.000 0.000 2.172 766 Q HA 0.008 4.347 4.340 -0.003 0.000 0.200 766 Q C 2.145 178.144 176.000 -0.002 0.000 0.964 766 Q CA 0.863 56.665 55.803 -0.001 0.000 0.855 766 Q CB -0.200 28.538 28.738 0.001 0.000 0.918 766 Q HN 0.506 nan 8.270 nan 0.000 0.444 767 L N 1.183 122.407 121.223 0.001 0.000 1.976 767 L HA -0.201 4.137 4.340 -0.003 0.000 0.209 767 L C 1.661 178.526 176.870 -0.008 0.000 1.071 767 L CA 2.061 56.900 54.840 -0.000 0.000 0.746 767 L CB -0.664 41.401 42.059 0.010 0.000 0.890 767 L HN 0.239 nan 8.230 nan 0.000 0.432 768 K N -0.561 119.835 120.400 -0.006 0.000 2.281 768 K HA -0.247 4.071 4.320 -0.003 0.000 0.203 768 K C 1.982 178.573 176.600 -0.015 0.000 1.046 768 K CA 1.420 57.700 56.287 -0.012 0.000 0.938 768 K CB -0.029 32.466 32.500 -0.008 0.000 0.737 768 K HN 0.327 nan 8.250 nan 0.000 0.458 769 Q N 1.630 121.423 119.800 -0.011 0.000 2.049 769 Q HA -0.068 4.270 4.340 -0.003 0.000 0.198 769 Q C 1.496 177.488 176.000 -0.013 0.000 0.971 769 Q CA 1.637 57.434 55.803 -0.010 0.000 0.833 769 Q CB 0.164 28.898 28.738 -0.006 0.000 0.896 769 Q HN 0.127 nan 8.270 nan 0.000 0.434 770 K N -0.168 120.223 120.400 -0.015 0.000 2.147 770 K HA -0.092 4.227 4.320 -0.003 0.000 0.205 770 K C 2.009 178.593 176.600 -0.026 0.000 1.049 770 K CA 1.211 57.487 56.287 -0.018 0.000 0.936 770 K CB -0.139 32.350 32.500 -0.019 0.000 0.722 770 K HN 0.253 nan 8.250 nan 0.000 0.446 771 L N 0.842 122.045 121.223 -0.034 0.000 2.109 771 L HA -0.132 4.207 4.340 -0.003 0.000 0.207 771 L C 2.384 179.233 176.870 -0.034 0.000 1.086 771 L CA 0.937 55.749 54.840 -0.047 0.000 0.760 771 L CB -0.401 41.619 42.059 -0.065 0.000 0.910 771 L HN 0.184 nan 8.230 nan 0.000 0.437 772 E N 0.672 120.857 120.200 -0.026 0.000 2.038 772 E HA -0.215 4.133 4.350 -0.003 0.000 0.195 772 E C 1.903 178.497 176.600 -0.011 0.000 1.000 772 E CA 1.360 57.750 56.400 -0.017 0.000 0.803 772 E CB -0.349 29.344 29.700 -0.012 0.000 0.750 772 E HN 0.523 nan 8.360 nan 0.000 0.448 773 N N 0.818 119.512 118.700 -0.010 0.000 2.192 773 N HA -0.151 4.588 4.740 -0.003 0.000 0.188 773 N C 2.073 177.580 175.510 -0.005 0.000 1.013 773 N CA 0.844 53.891 53.050 -0.006 0.000 0.863 773 N CB -0.393 38.090 38.487 -0.007 0.000 0.990 773 N HN 0.207 nan 8.380 nan 0.000 0.430 774 L N 0.239 121.456 121.223 -0.010 0.000 2.068 774 L HA -0.012 4.327 4.340 -0.003 0.000 0.204 774 L C 2.313 179.184 176.870 0.003 0.000 1.076 774 L CA 0.747 55.583 54.840 -0.007 0.000 0.753 774 L CB -0.419 41.628 42.059 -0.019 0.000 0.910 774 L HN 0.061 nan 8.230 nan 0.000 0.439 775 Q N 0.517 120.317 119.800 0.000 0.000 2.364 775 Q HA -0.156 4.183 4.340 -0.003 0.000 0.209 775 Q C 1.707 177.717 176.000 0.017 0.000 0.977 775 Q CA 0.759 56.570 55.803 0.013 0.000 0.885 775 Q CB -0.310 28.428 28.738 0.001 0.000 0.941 775 Q HN 0.448 nan 8.270 nan 0.000 0.464 776 N N 0.509 119.215 118.700 0.010 0.000 2.100 776 N HA -0.236 4.502 4.740 -0.003 0.000 0.199 776 N C 1.613 177.134 175.510 0.019 0.000 1.017 776 N CA 2.098 55.156 53.050 0.012 0.000 0.890 776 N CB -0.147 38.345 38.487 0.009 0.000 1.080 776 N HN 0.411 nan 8.380 nan 0.000 0.525 777 L N -2.160 119.076 121.223 0.021 0.000 4.914 777 L HA 0.120 4.458 4.340 -0.003 0.000 0.494 777 L C 0.591 177.478 176.870 0.029 0.000 0.929 777 L CA 0.086 54.943 54.840 0.027 0.000 1.912 777 L CB -0.289 41.783 42.059 0.023 0.000 1.710 777 L HN -0.075 nan 8.230 nan 0.000 0.601 778 N N 0.244 118.959 118.700 0.024 0.000 2.409 778 N HA 0.046 4.785 4.740 -0.003 0.000 0.174 778 N C 0.441 175.966 175.510 0.026 0.000 1.037 778 N CA 0.338 53.402 53.050 0.023 0.000 0.898 778 N CB 0.285 38.781 38.487 0.015 0.000 1.010 778 N HN 0.298 nan 8.380 nan 0.000 0.445 779 L N 1.472 122.712 121.223 0.029 0.000 2.371 779 L HA 0.472 4.810 4.340 -0.003 0.000 0.272 779 L C -2.309 174.596 176.870 0.059 0.000 1.124 779 L CA -1.915 52.945 54.840 0.033 0.000 0.816 779 L CB 0.452 42.533 42.059 0.036 0.000 1.129 779 L HN 0.030 nan 8.230 nan 0.000 0.448 780 P HA 0.064 nan 4.420 nan 0.000 0.262 780 P C -0.062 177.331 177.300 0.154 0.000 1.199 780 P CA 0.078 63.235 63.100 0.095 0.000 0.763 780 P CB 0.476 32.223 31.700 0.080 0.000 0.790 781 Q N 1.277 121.154 119.800 0.128 0.000 2.156 781 Q HA -0.156 4.182 4.340 -0.003 0.000 0.211 781 Q C 0.718 176.827 176.000 0.183 0.000 0.995 781 Q CA 1.627 57.510 55.803 0.132 0.000 0.877 781 Q CB -0.143 28.650 28.738 0.092 0.000 0.920 781 Q HN 0.669 nan 8.270 nan 0.000 0.416 782 S N -1.409 114.406 115.700 0.192 0.000 2.705 782 S HA 0.743 5.212 4.470 -0.003 0.000 0.280 782 S C -0.971 173.804 174.600 0.292 0.000 1.174 782 S CA -0.991 57.314 58.200 0.175 0.000 0.823 782 S CB 1.855 65.067 63.200 0.020 0.000 1.162 782 S HN 0.316 nan 8.310 nan 0.000 0.487 783 F N -2.442 117.466 119.950 -0.070 0.000 2.793 783 F HA 0.612 5.137 4.527 -0.003 0.000 0.316 783 F C -1.299 174.415 175.800 -0.142 0.000 1.147 783 F CA -1.270 56.669 58.000 -0.101 0.000 0.930 783 F CB 0.774 39.725 39.000 -0.082 0.000 1.277 783 F HN 0.689 nan 8.300 nan 0.000 0.443 784 R N 1.448 121.901 120.500 -0.078 0.000 2.390 784 R HA 0.593 4.932 4.340 -0.003 0.000 0.291 784 R C -1.000 175.197 176.300 -0.172 0.000 1.070 784 R CA -0.993 54.980 56.100 -0.211 0.000 1.014 784 R CB 1.669 31.852 30.300 -0.194 0.000 1.007 784 R HN 0.573 nan 8.270 nan 0.000 0.466 785 V N 6.641 126.339 119.914 -0.362 0.000 2.421 785 V HA 0.008 4.127 4.120 -0.003 0.000 0.271 785 V C -1.423 174.435 176.094 -0.395 0.000 1.031 785 V CA -1.008 61.031 62.300 -0.435 0.000 1.032 785 V CB 0.986 32.450 31.823 -0.599 0.000 1.009 785 V HN 0.656 nan 8.190 nan 0.000 0.477 786 P HA -0.203 nan 4.420 nan 0.000 0.217 786 P C 1.095 178.180 177.300 -0.359 0.000 1.151 786 P CA 1.741 64.569 63.100 -0.453 0.000 0.849 786 P CB -0.032 31.032 31.700 -1.060 0.000 0.787 787 Y N -2.430 117.760 120.300 -0.182 0.000 2.466 787 Y HA 0.402 4.951 4.550 -0.002 0.000 0.272 787 Y C 0.034 176.021 175.900 0.145 0.000 1.169 787 Y CA -0.580 57.512 58.100 -0.013 0.000 1.285 787 Y CB -0.665 37.815 38.460 0.033 0.000 1.078 787 Y HN -0.160 nan 8.280 nan 0.000 0.523 788 D N 1.358 121.796 120.400 0.063 0.000 2.823 788 D HA 0.209 4.847 4.640 -0.003 0.000 0.255 788 D C -2.199 174.061 176.300 -0.066 0.000 1.257 788 D CA -1.985 52.108 54.000 0.156 0.000 0.803 788 D CB 0.859 41.805 40.800 0.243 0.000 1.384 788 D HN -0.073 nan 8.370 nan 0.000 0.541 789 P HA -0.114 nan 4.420 nan 0.000 0.219 789 P C 1.373 178.541 177.300 -0.220 0.000 1.144 789 P CA 0.918 63.784 63.100 -0.390 0.000 0.806 789 P CB 0.234 31.500 31.700 -0.723 0.000 0.771 790 G N -0.666 108.096 108.800 -0.064 0.000 2.650 790 G HA2 -0.001 3.957 3.960 -0.003 0.000 0.214 790 G HA3 -0.001 3.957 3.960 -0.003 0.000 0.214 790 G C 0.663 175.504 174.900 -0.097 0.000 1.136 790 G CA -0.114 44.966 45.100 -0.033 0.000 0.789 790 G HN 0.253 nan 8.290 nan 0.000 0.536 791 L N 0.854 122.005 121.223 -0.119 0.000 2.307 791 L HA 0.454 4.793 4.340 -0.003 0.000 0.282 791 L C -0.451 176.275 176.870 -0.240 0.000 1.051 791 L CA -0.804 53.944 54.840 -0.153 0.000 0.804 791 L CB 1.759 43.743 42.059 -0.126 0.000 1.197 791 L HN -0.161 nan 8.230 nan 0.000 0.431 792 K N 3.842 124.100 120.400 -0.237 0.000 2.449 792 K HA 0.477 4.795 4.320 -0.003 0.000 0.257 792 K C -0.752 175.635 176.600 -0.355 0.000 0.989 792 K CA -0.403 55.706 56.287 -0.298 0.000 0.916 792 K CB 1.610 33.991 32.500 -0.199 0.000 1.136 792 K HN 0.636 nan 8.250 nan 0.000 0.439 793 A N 2.826 125.260 122.820 -0.643 0.000 2.388 793 A HA 0.588 4.907 4.320 -0.003 0.000 0.257 793 A C 0.734 178.085 177.584 -0.388 0.000 1.095 793 A CA 0.278 51.915 52.037 -0.666 0.000 0.791 793 A CB 0.599 18.742 19.000 -1.428 0.000 1.029 793 A HN 0.772 nan 8.150 nan 0.000 0.489 794 G N 0.202 108.975 108.800 -0.046 0.000 3.392 794 G HA2 0.579 4.537 3.960 -0.003 0.000 0.188 794 G HA3 0.579 4.537 3.960 -0.003 0.000 0.188 794 G C 0.523 175.590 174.900 0.278 0.000 1.485 794 G CA 0.202 45.355 45.100 0.089 0.000 0.943 794 G HN 1.345 nan 8.290 nan 0.000 0.627 795 A N -0.944 121.990 122.820 0.191 0.000 2.313 795 A HA 0.641 4.960 4.320 -0.003 0.000 0.261 795 A C -0.112 177.519 177.584 0.077 0.000 1.090 795 A CA -0.331 51.799 52.037 0.155 0.000 0.807 795 A CB 0.153 19.198 19.000 0.075 0.000 1.055 795 A HN 0.447 nan 8.150 nan 0.000 0.492 796 L N 0.666 121.840 121.223 -0.081 0.000 2.350 796 L HA 0.288 4.627 4.340 -0.003 0.000 0.275 796 L C -0.277 176.491 176.870 -0.170 0.000 1.099 796 L CA -0.464 54.172 54.840 -0.340 0.000 0.808 796 L CB 1.602 43.449 42.059 -0.354 0.000 1.149 796 L HN 0.432 nan 8.230 nan 0.000 0.442 797 V N 5.271 125.082 119.914 -0.171 0.000 2.306 797 V HA 0.075 4.193 4.120 -0.003 0.000 0.286 797 V C 1.463 177.526 176.094 -0.053 0.000 1.404 797 V CA -0.105 62.158 62.300 -0.061 0.000 1.467 797 V CB -0.265 31.553 31.823 -0.008 0.000 1.459 797 V HN 0.708 nan 8.190 nan 0.000 0.518 798 I N 0.475 121.003 120.570 -0.070 0.000 2.231 798 I HA -0.384 3.784 4.170 -0.003 0.000 0.251 798 I C 2.346 178.456 176.117 -0.012 0.000 1.076 798 I CA 1.742 63.013 61.300 -0.048 0.000 1.347 798 I CB -0.226 37.749 38.000 -0.041 0.000 1.038 798 I HN 0.477 nan 8.210 nan 0.000 0.429 799 E N 1.068 121.267 120.200 -0.002 0.000 2.070 799 E HA -0.229 4.120 4.350 -0.003 0.000 0.197 799 E C 2.102 178.716 176.600 0.023 0.000 1.004 799 E CA 1.485 57.891 56.400 0.009 0.000 0.805 799 E CB -0.166 29.542 29.700 0.012 0.000 0.744 799 E HN 0.476 nan 8.360 nan 0.000 0.451 800 K N -0.286 120.143 120.400 0.048 0.000 2.366 800 K HA 0.083 4.402 4.320 -0.003 0.000 0.198 800 K C 0.326 177.011 176.600 0.142 0.000 1.044 800 K CA 0.059 56.401 56.287 0.092 0.000 0.973 800 K CB 0.031 32.621 32.500 0.151 0.000 0.767 800 K HN 0.119 nan 8.250 nan 0.000 0.475 801 C N 2.579 121.948 119.300 0.115 0.000 2.703 801 C HA 0.151 4.609 4.460 -0.003 0.000 0.411 801 C C 0.480 175.534 174.990 0.107 0.000 1.290 801 C CA -0.293 58.814 59.018 0.149 0.000 2.054 801 C CB -0.551 27.215 27.740 0.042 0.000 2.732 801 C HN 0.535 nan 8.230 nan 0.000 0.650 802 K N -0.186 120.301 120.400 0.145 0.000 2.735 802 K HA 0.586 4.905 4.320 -0.003 0.000 0.295 802 K C -2.209 174.461 176.600 0.117 0.000 1.052 802 K CA -0.842 55.490 56.287 0.075 0.000 0.853 802 K CB 0.552 33.044 32.500 -0.014 0.000 1.535 802 K HN 0.199 nan 8.250 nan 0.000 0.383 803 V N 2.047 122.005 119.914 0.073 0.000 2.370 803 V HA 0.320 4.439 4.120 -0.003 0.000 0.279 803 V C 0.176 176.316 176.094 0.077 0.000 1.029 803 V CA -0.745 61.609 62.300 0.091 0.000 0.870 803 V CB 1.150 33.012 31.823 0.066 0.000 0.984 803 V HN 0.660 nan 8.190 nan 0.000 0.451 804 M N 3.353 123.023 119.600 0.117 0.000 2.249 804 M HA 0.212 4.690 4.480 -0.003 0.000 0.340 804 M C 1.046 177.380 176.300 0.057 0.000 1.166 804 M CA 0.035 55.387 55.300 0.087 0.000 1.115 804 M CB 0.786 33.476 32.600 0.150 0.000 1.606 804 M HN 0.761 nan 8.290 nan 0.000 0.448 805 A N 3.048 125.882 122.820 0.023 0.000 2.711 805 A HA 0.166 4.484 4.320 -0.003 0.000 0.242 805 A C 0.454 178.047 177.584 0.016 0.000 1.607 805 A CA 0.180 52.233 52.037 0.027 0.000 1.370 805 A CB -0.578 18.423 19.000 0.002 0.000 0.934 805 A HN 0.702 nan 8.150 nan 0.000 0.628 806 S N -1.101 114.622 115.700 0.038 0.000 2.638 806 S HA 0.480 4.949 4.470 -0.003 0.000 0.298 806 S C 1.131 175.761 174.600 0.050 0.000 1.111 806 S CA -0.670 57.544 58.200 0.024 0.000 1.027 806 S CB 0.968 64.191 63.200 0.038 0.000 1.064 806 S HN 0.401 nan 8.310 nan 0.000 0.525 807 K N 2.371 122.790 120.400 0.032 0.000 1.991 807 K HA -0.013 4.305 4.320 -0.003 0.000 0.212 807 K C 1.412 178.051 176.600 0.065 0.000 1.049 807 K CA 1.747 58.068 56.287 0.057 0.000 0.932 807 K CB -0.252 32.264 32.500 0.025 0.000 0.717 807 K HN 0.546 nan 8.250 nan 0.000 0.441 808 K N 1.385 121.818 120.400 0.055 0.000 2.589 808 K HA 0.052 4.370 4.320 -0.003 0.000 0.192 808 K C -0.644 176.017 176.600 0.102 0.000 1.029 808 K CA 0.067 56.399 56.287 0.076 0.000 1.031 808 K CB -0.133 32.401 32.500 0.057 0.000 0.821 808 K HN 0.121 nan 8.250 nan 0.000 0.502 809 K N 0.870 121.326 120.400 0.092 0.000 4.814 809 K HA -0.176 4.142 4.320 -0.003 0.000 0.295 809 K C -2.684 173.990 176.600 0.122 0.000 0.828 809 K CA -0.135 56.212 56.287 0.100 0.000 0.895 809 K CB -1.149 31.405 32.500 0.090 0.000 1.810 809 K HN 0.165 nan 8.250 nan 0.000 0.418 810 P HA 0.214 nan 4.420 nan 0.000 0.277 810 P C -0.089 177.328 177.300 0.195 0.000 1.271 810 P CA -0.577 62.627 63.100 0.172 0.000 0.795 810 P CB 0.703 32.502 31.700 0.165 0.000 1.101 811 L N 0.773 122.135 121.223 0.232 0.000 2.282 811 L HA 0.366 4.704 4.340 -0.003 0.000 0.288 811 L C -0.252 176.801 176.870 0.305 0.000 1.033 811 L CA -0.441 54.539 54.840 0.233 0.000 0.807 811 L CB 0.962 43.123 42.059 0.170 0.000 1.209 811 L HN 0.450 nan 8.230 nan 0.000 0.423 812 W N 7.125 128.492 121.300 0.112 0.000 2.289 812 W HA 0.446 5.104 4.660 -0.003 0.000 0.342 812 W C -1.759 174.825 176.519 0.108 0.000 0.958 812 W CA -0.636 56.781 57.345 0.120 0.000 1.492 812 W CB 0.604 30.114 29.460 0.083 0.000 1.336 812 W HN 0.369 nan 8.180 nan 0.000 0.371 813 L N 4.798 126.109 121.223 0.147 0.000 2.334 813 L HA 0.488 4.826 4.340 -0.003 0.000 0.275 813 L C 0.144 177.070 176.870 0.093 0.000 1.036 813 L CA -0.631 54.282 54.840 0.121 0.000 0.807 813 L CB 1.852 44.006 42.059 0.159 0.000 1.231 813 L HN 0.203 nan 8.230 nan 0.000 0.438 814 E N 1.656 121.865 120.200 0.015 0.000 2.272 814 E HA 0.554 4.903 4.350 -0.003 0.000 0.269 814 E C -1.639 174.932 176.600 -0.048 0.000 0.877 814 E CA -0.559 55.904 56.400 0.104 0.000 0.755 814 E CB 2.514 32.297 29.700 0.139 0.000 1.192 814 E HN 0.197 nan 8.360 nan 0.000 0.422 815 F N 0.859 120.849 119.950 0.066 0.000 2.579 815 F HA 0.452 4.977 4.527 -0.003 0.000 0.324 815 F C 0.507 176.321 175.800 0.024 0.000 1.058 815 F CA -0.961 57.073 58.000 0.056 0.000 0.944 815 F CB 1.243 40.276 39.000 0.055 0.000 1.245 815 F HN 0.044 nan 8.300 nan 0.000 0.477 816 K N 0.265 120.784 120.400 0.199 0.000 2.118 816 K HA 0.353 4.672 4.320 -0.003 0.000 0.264 816 K C -0.803 175.839 176.600 0.071 0.000 1.000 816 K CA -0.636 55.714 56.287 0.105 0.000 0.929 816 K CB 1.542 34.084 32.500 0.071 0.000 1.021 816 K HN 0.710 nan 8.250 nan 0.000 0.463 817 C N 2.596 121.912 119.300 0.027 0.000 2.555 817 C HA 0.209 4.668 4.460 -0.003 0.000 0.385 817 C C 1.655 176.627 174.990 -0.030 0.000 1.296 817 C CA -0.325 58.679 59.018 -0.023 0.000 1.757 817 C CB -1.156 26.569 27.740 -0.026 0.000 2.445 817 C HN 0.886 nan 8.230 nan 0.000 0.571 818 A N 4.028 126.811 122.820 -0.063 0.000 2.225 818 A HA -0.015 4.303 4.320 -0.003 0.000 0.215 818 A C 1.045 178.602 177.584 -0.046 0.000 1.164 818 A CA 1.036 53.044 52.037 -0.048 0.000 0.710 818 A CB -0.310 18.644 19.000 -0.076 0.000 0.780 818 A HN 0.933 nan 8.150 nan 0.000 0.473 819 D N -0.083 120.283 120.400 -0.058 0.000 2.317 819 D HA 0.206 4.844 4.640 -0.003 0.000 0.234 819 D C -1.604 174.672 176.300 -0.039 0.000 1.112 819 D CA -1.669 52.297 54.000 -0.057 0.000 0.840 819 D CB 1.492 42.241 40.800 -0.085 0.000 1.078 819 D HN 0.104 nan 8.370 nan 0.000 0.486 820 P HA -0.057 nan 4.420 nan 0.000 0.223 820 P C 0.984 178.275 177.300 -0.015 0.000 1.151 820 P CA 0.556 63.648 63.100 -0.012 0.000 0.787 820 P CB 0.318 32.017 31.700 -0.002 0.000 0.788 821 T N -0.120 114.416 114.554 -0.031 0.000 3.160 821 T HA 0.198 4.546 4.350 -0.003 0.000 0.257 821 T C 1.102 175.767 174.700 -0.060 0.000 1.147 821 T CA 0.241 62.318 62.100 -0.039 0.000 1.064 821 T CB -0.437 68.394 68.868 -0.061 0.000 0.949 821 T HN 0.171 nan 8.240 nan 0.000 0.526 822 A N 1.165 123.952 122.820 -0.055 0.000 2.498 822 A HA 0.369 4.688 4.320 -0.003 0.000 0.239 822 A C 0.294 177.852 177.584 -0.043 0.000 1.068 822 A CA -0.190 51.812 52.037 -0.058 0.000 0.766 822 A CB -0.005 18.969 19.000 -0.042 0.000 1.003 822 A HN 0.307 nan 8.150 nan 0.000 0.497 823 L N 2.759 123.946 121.223 -0.059 0.000 2.865 823 L HA 0.415 4.754 4.340 -0.003 0.000 0.233 823 L C 0.642 177.488 176.870 -0.040 0.000 1.320 823 L CA 0.997 55.801 54.840 -0.060 0.000 1.225 823 L CB -0.942 41.031 42.059 -0.145 0.000 1.542 823 L HN 0.807 nan 8.230 nan 0.000 0.432 824 S N -0.604 115.087 115.700 -0.015 0.000 2.683 824 S HA 0.355 4.823 4.470 -0.003 0.000 0.264 824 S C -0.381 174.227 174.600 0.012 0.000 1.066 824 S CA -0.572 57.629 58.200 0.001 0.000 0.846 824 S CB 0.645 63.850 63.200 0.007 0.000 1.114 824 S HN 0.255 nan 8.310 nan 0.000 0.476 825 N N 0.597 119.310 118.700 0.023 0.000 2.143 825 N HA 0.188 4.926 4.740 -0.003 0.000 0.222 825 N C -0.766 174.770 175.510 0.043 0.000 1.264 825 N CA -0.033 53.035 53.050 0.030 0.000 0.897 825 N CB 0.610 39.115 38.487 0.030 0.000 1.092 825 N HN 0.609 nan 8.380 nan 0.000 0.516 826 E N 1.560 121.788 120.200 0.046 0.000 2.442 826 E HA -0.007 4.342 4.350 -0.003 0.000 0.262 826 E C 0.769 177.410 176.600 0.069 0.000 1.004 826 E CA 0.455 56.892 56.400 0.062 0.000 0.928 826 E CB 0.663 30.401 29.700 0.063 0.000 0.937 826 E HN 0.205 nan 8.360 nan 0.000 0.446 827 T N -0.722 113.885 114.554 0.088 0.000 2.771 827 T HA 0.377 4.725 4.350 -0.003 0.000 0.290 827 T C 0.359 175.122 174.700 0.105 0.000 1.005 827 T CA -0.786 61.375 62.100 0.103 0.000 0.944 827 T CB 0.585 69.528 68.868 0.124 0.000 1.147 827 T HN 0.219 nan 8.240 nan 0.000 0.534 828 I N 1.438 122.091 120.570 0.139 0.000 2.390 828 I HA 0.374 4.543 4.170 -0.003 0.000 0.283 828 I C 0.839 177.055 176.117 0.165 0.000 1.016 828 I CA -0.524 60.852 61.300 0.127 0.000 1.151 828 I CB 0.416 38.464 38.000 0.080 0.000 1.293 828 I HN 0.975 nan 8.210 nan 0.000 0.458 829 G N 7.698 116.536 108.800 0.064 0.000 2.338 829 G HA2 0.643 4.602 3.960 -0.003 0.000 0.295 829 G HA3 0.643 4.602 3.960 -0.003 0.000 0.295 829 G C -0.337 174.545 174.900 -0.030 0.000 1.132 829 G CA -0.253 44.796 45.100 -0.085 0.000 0.922 829 G HN 0.522 nan 8.290 nan 0.000 0.427 830 I N 2.368 122.979 120.570 0.069 0.000 2.509 830 I HA 0.403 4.571 4.170 -0.003 0.000 0.293 830 I C -0.386 175.841 176.117 0.183 0.000 1.020 830 I CA -0.804 60.614 61.300 0.197 0.000 1.088 830 I CB 2.446 40.681 38.000 0.391 0.000 1.267 830 I HN 0.208 nan 8.210 nan 0.000 0.430 831 I N 5.364 126.011 120.570 0.128 0.000 2.362 831 I HA 0.344 4.512 4.170 -0.003 0.000 0.289 831 I C -1.022 175.223 176.117 0.213 0.000 0.994 831 I CA -0.426 60.974 61.300 0.166 0.000 1.158 831 I CB 1.257 39.286 38.000 0.047 0.000 1.315 831 I HN 0.325 nan 8.210 nan 0.000 0.451 832 F N 6.172 126.179 119.950 0.096 0.000 2.404 832 F HA 0.501 5.026 4.527 -0.003 0.000 0.354 832 F C 0.285 176.150 175.800 0.108 0.000 1.122 832 F CA -0.548 57.511 58.000 0.099 0.000 1.080 832 F CB 1.261 40.321 39.000 0.099 0.000 1.131 832 F HN 0.302 nan 8.300 nan 0.000 0.471 833 K N 2.125 122.648 120.400 0.205 0.000 2.426 833 K HA 0.468 4.786 4.320 -0.003 0.000 0.251 833 K C -1.888 174.832 176.600 0.200 0.000 0.941 833 K CA -0.902 55.496 56.287 0.184 0.000 0.808 833 K CB 1.695 34.266 32.500 0.118 0.000 1.265 833 K HN 0.746 nan 8.250 nan 0.000 0.432 834 H N 0.918 120.049 119.070 0.101 0.000 2.589 834 H HA 0.517 5.072 4.556 -0.003 0.000 0.351 834 H C 0.269 175.638 175.328 0.069 0.000 1.074 834 H CA 0.830 56.930 56.048 0.087 0.000 1.203 834 H CB 1.868 31.684 29.762 0.089 0.000 1.558 834 H HN 0.753 nan 8.280 nan 0.000 0.522 835 G N 4.288 112.802 108.800 -0.475 0.000 3.033 835 G HA2 -0.175 3.783 3.960 -0.003 0.000 0.196 835 G HA3 -0.175 3.783 3.960 -0.003 0.000 0.196 835 G C -0.481 174.330 174.900 -0.148 0.000 1.078 835 G CA -0.050 44.875 45.100 -0.292 0.000 0.805 835 G HN 0.615 nan 8.290 nan 0.000 0.472 836 D N 1.454 121.814 120.400 -0.066 0.000 2.225 836 D HA 0.432 5.071 4.640 -0.003 0.000 0.249 836 D C -0.970 175.372 176.300 0.069 0.000 1.052 836 D CA -0.247 53.762 54.000 0.014 0.000 0.909 836 D CB 1.743 42.570 40.800 0.044 0.000 1.186 836 D HN 0.149 nan 8.370 nan 0.000 0.431 837 D N 2.210 122.715 120.400 0.175 0.000 2.435 837 D HA 0.048 4.687 4.640 -0.003 0.000 0.230 837 D C 1.130 177.484 176.300 0.089 0.000 1.215 837 D CA -0.197 53.874 54.000 0.118 0.000 0.947 837 D CB 0.303 41.158 40.800 0.092 0.000 1.048 837 D HN 0.301 nan 8.370 nan 0.000 0.512 838 L N 3.048 124.313 121.223 0.071 0.000 2.549 838 L HA -0.023 4.315 4.340 -0.003 0.000 0.229 838 L C 2.422 179.320 176.870 0.047 0.000 1.158 838 L CA 0.312 55.197 54.840 0.076 0.000 0.842 838 L CB -0.069 42.030 42.059 0.066 0.000 0.952 838 L HN 0.256 nan 8.230 nan 0.000 0.452 839 R N -0.248 120.260 120.500 0.014 0.000 2.115 839 R HA -0.153 4.185 4.340 -0.003 0.000 0.230 839 R C 2.216 178.489 176.300 -0.046 0.000 1.111 839 R CA 1.175 57.257 56.100 -0.029 0.000 0.976 839 R CB -0.040 30.229 30.300 -0.052 0.000 0.870 839 R HN 0.509 nan 8.270 nan 0.000 0.445 840 Q N 0.003 119.789 119.800 -0.023 0.000 2.049 840 Q HA -0.134 4.204 4.340 -0.003 0.000 0.198 840 Q C 1.415 177.417 176.000 0.003 0.000 0.971 840 Q CA 1.456 57.241 55.803 -0.029 0.000 0.833 840 Q CB 0.072 28.798 28.738 -0.019 0.000 0.896 840 Q HN 0.263 nan 8.270 nan 0.000 0.434 841 D N 0.643 121.094 120.400 0.086 0.000 2.104 841 D HA -0.196 4.443 4.640 -0.003 0.000 0.194 841 D C 1.712 178.018 176.300 0.011 0.000 0.994 841 D CA 1.146 55.232 54.000 0.143 0.000 0.830 841 D CB -0.162 40.806 40.800 0.280 0.000 0.959 841 D HN 0.132 nan 8.370 nan 0.000 0.452 842 M N -0.266 119.343 119.600 0.015 0.000 2.106 842 M HA -0.199 4.280 4.480 -0.003 0.000 0.259 842 M C 1.770 178.008 176.300 -0.104 0.000 1.068 842 M CA 1.214 56.502 55.300 -0.020 0.000 1.100 842 M CB -0.004 32.594 32.600 -0.003 0.000 1.351 842 M HN 0.054 nan 8.290 nan 0.000 0.404 843 L N 0.205 121.350 121.223 -0.130 0.000 2.027 843 L HA -0.167 4.172 4.340 -0.003 0.000 0.206 843 L C 2.034 178.797 176.870 -0.179 0.000 1.074 843 L CA 1.536 56.277 54.840 -0.165 0.000 0.745 843 L CB -0.724 41.242 42.059 -0.155 0.000 0.898 843 L HN 0.263 nan 8.230 nan 0.000 0.433 844 I N -1.155 119.288 120.570 -0.212 0.000 2.179 844 I HA -0.256 3.913 4.170 -0.003 0.000 0.242 844 I C 2.260 178.141 176.117 -0.394 0.000 1.088 844 I CA 1.003 62.108 61.300 -0.325 0.000 1.357 844 I CB -1.042 36.645 38.000 -0.523 0.000 1.051 844 I HN 0.122 nan 8.210 nan 0.000 0.409 845 L N -0.200 120.792 121.223 -0.386 0.000 2.079 845 L HA -0.230 4.109 4.340 -0.003 0.000 0.210 845 L C 2.481 179.210 176.870 -0.234 0.000 1.081 845 L CA 1.640 56.279 54.840 -0.336 0.000 0.752 845 L CB -1.463 40.435 42.059 -0.270 0.000 0.896 845 L HN 0.326 nan 8.230 nan 0.000 0.433 846 Q N -0.474 119.213 119.800 -0.188 0.000 2.079 846 Q HA -0.127 4.211 4.340 -0.003 0.000 0.200 846 Q C 2.150 178.041 176.000 -0.181 0.000 0.974 846 Q CA 1.408 57.118 55.803 -0.155 0.000 0.840 846 Q CB -0.216 28.436 28.738 -0.144 0.000 0.898 846 Q HN 0.367 nan 8.270 nan 0.000 0.430 847 I N -0.266 120.194 120.570 -0.183 0.000 2.208 847 I HA -0.247 3.921 4.170 -0.003 0.000 0.245 847 I C 1.682 177.657 176.117 -0.237 0.000 1.097 847 I CA 0.769 61.963 61.300 -0.177 0.000 1.363 847 I CB -0.442 37.483 38.000 -0.125 0.000 1.051 847 I HN 0.207 nan 8.210 nan 0.000 0.413 848 L N -0.083 120.991 121.223 -0.249 0.000 2.079 848 L HA -0.184 4.155 4.340 -0.003 0.000 0.210 848 L C 2.531 179.241 176.870 -0.266 0.000 1.081 848 L CA 1.734 56.412 54.840 -0.270 0.000 0.752 848 L CB -0.855 41.049 42.059 -0.259 0.000 0.896 848 L HN 0.190 nan 8.230 nan 0.000 0.433 849 R N -0.771 119.596 120.500 -0.222 0.000 2.115 849 R HA -0.037 4.301 4.340 -0.003 0.000 0.230 849 R C 2.249 178.360 176.300 -0.315 0.000 1.111 849 R CA 1.082 57.066 56.100 -0.192 0.000 0.976 849 R CB -0.374 29.867 30.300 -0.099 0.000 0.870 849 R HN 0.354 nan 8.270 nan 0.000 0.445 850 I N 0.560 120.917 120.570 -0.355 0.000 2.493 850 I HA -0.227 3.941 4.170 -0.003 0.000 0.254 850 I C 2.249 178.073 176.117 -0.488 0.000 1.160 850 I CA 1.199 62.229 61.300 -0.449 0.000 1.445 850 I CB -0.065 37.737 38.000 -0.329 0.000 1.086 850 I HN 0.164 nan 8.210 nan 0.000 0.433 851 M N -0.340 118.942 119.600 -0.530 0.000 2.288 851 M HA -0.109 4.370 4.480 -0.003 0.000 0.266 851 M C 1.996 177.739 176.300 -0.929 0.000 1.072 851 M CA 1.380 56.163 55.300 -0.862 0.000 1.132 851 M CB -0.292 31.724 32.600 -0.974 0.000 1.386 851 M HN 0.161 nan 8.290 nan 0.000 0.432 852 E N 0.571 120.495 120.200 -0.459 0.000 2.047 852 E HA -0.151 4.197 4.350 -0.003 0.000 0.191 852 E C 2.172 178.714 176.600 -0.098 0.000 0.987 852 E CA 1.803 58.136 56.400 -0.111 0.000 0.799 852 E CB -0.107 29.563 29.700 -0.050 0.000 0.752 852 E HN 0.528 nan 8.360 nan 0.000 0.449 853 S N 1.174 116.728 115.700 -0.244 0.000 2.368 853 S HA -0.144 4.325 4.470 -0.003 0.000 0.225 853 S C 2.124 176.612 174.600 -0.186 0.000 1.030 853 S CA 0.690 58.759 58.200 -0.218 0.000 0.999 853 S CB -0.538 62.373 63.200 -0.482 0.000 0.844 853 S HN 0.162 nan 8.310 nan 0.000 0.459 854 I N -0.028 120.335 120.570 -0.345 0.000 2.264 854 I HA -0.165 4.004 4.170 -0.003 0.000 0.248 854 I C 2.302 178.360 176.117 -0.099 0.000 1.111 854 I CA 1.345 62.424 61.300 -0.367 0.000 1.382 854 I CB -0.295 37.348 38.000 -0.594 0.000 1.060 854 I HN 0.403 nan 8.210 nan 0.000 0.418 855 W N 0.792 122.065 121.300 -0.044 0.000 2.519 855 W HA -0.078 4.580 4.660 -0.003 0.000 0.266 855 W C 2.403 178.965 176.519 0.073 0.000 1.253 855 W CA 0.607 57.956 57.345 0.006 0.000 1.274 855 W CB -0.773 28.665 29.460 -0.036 0.000 1.114 855 W HN 0.308 nan 8.180 nan 0.000 0.596 856 E N 0.545 120.909 120.200 0.273 0.000 2.077 856 E HA -0.209 4.139 4.350 -0.003 0.000 0.193 856 E C 2.130 178.833 176.600 0.172 0.000 0.989 856 E CA 2.449 59.015 56.400 0.278 0.000 0.800 856 E CB -0.108 29.700 29.700 0.180 0.000 0.746 856 E HN 0.163 nan 8.360 nan 0.000 0.452 857 T N -1.137 113.494 114.554 0.128 0.000 2.849 857 T HA -0.137 4.211 4.350 -0.003 0.000 0.270 857 T C 1.334 176.113 174.700 0.132 0.000 1.066 857 T CA 1.274 63.441 62.100 0.112 0.000 1.130 857 T CB -0.113 68.839 68.868 0.140 0.000 0.864 857 T HN 0.162 nan 8.240 nan 0.000 0.481 858 E N 0.676 120.987 120.200 0.184 0.000 2.501 858 E HA 0.235 4.584 4.350 -0.003 0.000 0.201 858 E C 0.009 176.705 176.600 0.160 0.000 1.016 858 E CA -0.014 56.489 56.400 0.172 0.000 0.920 858 E CB 0.405 30.236 29.700 0.219 0.000 1.023 858 E HN 0.486 nan 8.360 nan 0.000 0.474 859 S N 0.590 116.402 115.700 0.187 0.000 3.858 859 S HA -0.156 4.312 4.470 -0.003 0.000 0.356 859 S C -0.145 174.669 174.600 0.357 0.000 1.013 859 S CA 0.409 58.748 58.200 0.232 0.000 1.083 859 S CB -1.586 61.674 63.200 0.099 0.000 0.883 859 S HN 0.280 nan 8.310 nan 0.000 0.475 860 L N 0.950 122.376 121.223 0.338 0.000 2.362 860 L HA 0.729 5.068 4.340 -0.003 0.000 0.271 860 L C -0.332 176.443 176.870 -0.158 0.000 1.002 860 L CA -0.744 54.141 54.840 0.075 0.000 0.818 860 L CB 1.670 43.706 42.059 -0.039 0.000 1.298 860 L HN 0.131 nan 8.230 nan 0.000 0.420 861 D N 2.799 122.959 120.400 -0.401 0.000 2.505 861 D HA 0.242 4.880 4.640 -0.003 0.000 0.250 861 D C -0.145 175.947 176.300 -0.346 0.000 1.164 861 D CA -0.370 53.309 54.000 -0.534 0.000 0.870 861 D CB 1.800 42.084 40.800 -0.861 0.000 1.160 861 D HN 0.266 nan 8.370 nan 0.000 0.549 862 L N 2.795 123.879 121.223 -0.232 0.000 2.628 862 L HA 0.147 4.485 4.340 -0.003 0.000 0.229 862 L C 0.885 177.728 176.870 -0.045 0.000 1.137 862 L CA 0.067 54.797 54.840 -0.182 0.000 0.909 862 L CB -1.194 40.600 42.059 -0.441 0.000 1.137 862 L HN 0.643 nan 8.230 nan 0.000 0.470 863 C N 0.410 119.667 119.300 -0.072 0.000 4.274 863 C HA -0.209 4.250 4.460 -0.003 0.000 0.297 863 C C 1.502 176.553 174.990 0.103 0.000 1.446 863 C CA -0.197 58.817 59.018 -0.006 0.000 2.016 863 C CB -3.084 24.666 27.740 0.018 0.000 1.273 863 C HN 0.337 nan 8.230 nan 0.000 0.782 864 L N -0.794 120.476 121.223 0.078 0.000 2.474 864 L HA 0.320 4.658 4.340 -0.003 0.000 0.259 864 L C 0.552 177.530 176.870 0.180 0.000 1.232 864 L CA -0.006 54.906 54.840 0.120 0.000 0.821 864 L CB 0.114 42.095 42.059 -0.130 0.000 1.108 864 L HN 0.146 nan 8.230 nan 0.000 0.495 865 L N 2.256 123.665 121.223 0.311 0.000 2.502 865 L HA 0.349 4.687 4.340 -0.003 0.000 0.249 865 L C -2.229 174.708 176.870 0.111 0.000 1.446 865 L CA -0.944 53.973 54.840 0.129 0.000 0.887 865 L CB 0.858 42.880 42.059 -0.062 0.000 1.126 865 L HN 0.225 nan 8.230 nan 0.000 0.509 866 P HA 0.107 nan 4.420 nan 0.000 0.235 866 P C -0.809 176.350 177.300 -0.234 0.000 1.765 866 P CA -0.262 62.737 63.100 -0.167 0.000 1.034 866 P CB -0.786 30.835 31.700 -0.131 0.000 1.984 867 Y N -0.507 119.792 120.300 -0.002 0.000 2.960 867 Y HA 0.197 4.746 4.550 -0.003 0.000 0.345 867 Y C 1.151 176.972 175.900 -0.131 0.000 1.277 867 Y CA -1.145 56.892 58.100 -0.105 0.000 1.508 867 Y CB -0.642 37.739 38.460 -0.131 0.000 1.317 867 Y HN 0.208 nan 8.280 nan 0.000 0.639 868 G N 0.606 109.320 108.800 -0.143 0.000 2.491 868 G HA2 0.336 4.294 3.960 -0.003 0.000 0.242 868 G HA3 0.336 4.294 3.960 -0.003 0.000 0.242 868 G C -1.187 173.619 174.900 -0.156 0.000 1.266 868 G CA -0.074 44.881 45.100 -0.241 0.000 0.844 868 G HN 1.184 nan 8.290 nan 0.000 0.571 869 C N 3.833 123.162 119.300 0.047 0.000 2.832 869 C HA 0.605 5.064 4.460 -0.003 0.000 0.383 869 C C -1.327 173.739 174.990 0.126 0.000 1.046 869 C CA -0.970 58.113 59.018 0.108 0.000 1.242 869 C CB 0.151 28.004 27.740 0.188 0.000 1.693 869 C HN 0.578 nan 8.230 nan 0.000 0.497 870 I N 5.105 125.720 120.570 0.075 0.000 2.499 870 I HA 0.298 4.466 4.170 -0.003 0.000 0.288 870 I C 0.483 176.598 176.117 -0.003 0.000 1.048 870 I CA 0.107 61.431 61.300 0.040 0.000 1.062 870 I CB 1.790 39.721 38.000 -0.114 0.000 1.238 870 I HN 0.769 nan 8.210 nan 0.000 0.426 871 S N 3.987 119.717 115.700 0.050 0.000 2.503 871 S HA 0.071 4.539 4.470 -0.003 0.000 0.317 871 S C 1.561 176.199 174.600 0.064 0.000 1.162 871 S CA -0.016 58.209 58.200 0.042 0.000 1.124 871 S CB -0.111 63.114 63.200 0.041 0.000 1.207 871 S HN 0.794 nan 8.310 nan 0.000 0.538 872 T N 2.500 117.074 114.554 0.033 0.000 2.867 872 T HA 0.321 4.669 4.350 -0.003 0.000 0.268 872 T C 1.044 175.829 174.700 0.141 0.000 1.057 872 T CA 0.680 62.842 62.100 0.104 0.000 1.136 872 T CB -0.254 68.636 68.868 0.038 0.000 0.874 872 T HN 0.839 nan 8.240 nan 0.000 0.466 873 G N 0.169 109.029 108.800 0.100 0.000 2.428 873 G HA2 0.373 4.331 3.960 -0.003 0.000 0.304 873 G HA3 0.373 4.331 3.960 -0.003 0.000 0.304 873 G C -1.982 172.973 174.900 0.090 0.000 1.303 873 G CA -0.563 44.593 45.100 0.094 0.000 0.825 873 G HN 0.096 nan 8.290 nan 0.000 0.484 874 D N 0.780 121.236 120.400 0.093 0.000 2.661 874 D HA 0.068 4.707 4.640 -0.003 0.000 0.244 874 D C 1.105 177.475 176.300 0.117 0.000 1.196 874 D CA 0.811 54.870 54.000 0.097 0.000 0.881 874 D CB 0.253 41.117 40.800 0.106 0.000 1.141 874 D HN 0.513 nan 8.370 nan 0.000 0.530 875 K N 1.397 121.840 120.400 0.073 0.000 3.445 875 K HA -0.210 4.108 4.320 -0.003 0.000 0.316 875 K C -0.023 176.602 176.600 0.043 0.000 1.278 875 K CA 0.990 57.287 56.287 0.018 0.000 0.976 875 K CB -1.650 30.810 32.500 -0.067 0.000 1.238 875 K HN 0.606 nan 8.250 nan 0.000 0.430 876 I N -0.971 119.669 120.570 0.116 0.000 2.828 876 I HA 0.666 4.835 4.170 -0.003 0.000 0.302 876 I C 0.584 176.743 176.117 0.069 0.000 1.101 876 I CA -0.434 60.949 61.300 0.139 0.000 1.031 876 I CB 2.592 40.731 38.000 0.231 0.000 1.231 876 I HN 0.080 nan 8.210 nan 0.000 0.427 877 G N 4.011 112.820 108.800 0.014 0.000 2.430 877 G HA2 0.507 4.466 3.960 -0.003 0.000 0.300 877 G HA3 0.507 4.466 3.960 -0.003 0.000 0.300 877 G C -1.445 173.305 174.900 -0.250 0.000 1.330 877 G CA -0.858 44.184 45.100 -0.097 0.000 0.813 877 G HN 0.556 nan 8.290 nan 0.000 0.487 878 M N -0.654 118.753 119.600 -0.320 0.000 2.705 878 M HA 0.845 5.324 4.480 -0.003 0.000 0.311 878 M C -1.364 174.881 176.300 -0.092 0.000 1.214 878 M CA -0.906 54.169 55.300 -0.375 0.000 0.920 878 M CB 2.071 34.349 32.600 -0.538 0.000 1.687 878 M HN 0.324 nan 8.290 nan 0.000 0.481 879 I N 1.213 121.755 120.570 -0.046 0.000 2.534 879 I HA 0.318 4.487 4.170 -0.003 0.000 0.288 879 I C -0.388 175.660 176.117 -0.116 0.000 1.077 879 I CA -0.342 60.925 61.300 -0.055 0.000 1.051 879 I CB 1.894 39.853 38.000 -0.068 0.000 1.234 879 I HN 0.931 nan 8.210 nan 0.000 0.425 880 E N 5.853 125.845 120.200 -0.346 0.000 2.384 880 E HA 0.166 4.514 4.350 -0.003 0.000 0.266 880 E C -0.830 175.633 176.600 -0.230 0.000 1.012 880 E CA -0.357 55.801 56.400 -0.404 0.000 0.901 880 E CB 0.974 30.242 29.700 -0.719 0.000 0.967 880 E HN 0.306 nan 8.360 nan 0.000 0.435 881 I N 5.505 125.982 120.570 -0.156 0.000 2.312 881 I HA 0.086 4.254 4.170 -0.003 0.000 0.291 881 I C -0.240 175.815 176.117 -0.105 0.000 1.031 881 I CA -0.456 60.718 61.300 -0.209 0.000 1.293 881 I CB 1.266 39.032 38.000 -0.389 0.000 1.403 881 I HN 0.343 nan 8.210 nan 0.000 0.484 882 V N 8.140 128.011 119.914 -0.070 0.000 2.408 882 V HA 0.151 4.269 4.120 -0.003 0.000 0.267 882 V C 0.760 176.904 176.094 0.083 0.000 1.047 882 V CA -0.772 61.508 62.300 -0.033 0.000 0.937 882 V CB 0.537 32.259 31.823 -0.168 0.000 0.999 882 V HN 0.626 nan 8.190 nan 0.000 0.472 883 K N 3.446 123.898 120.400 0.087 0.000 2.355 883 K HA 0.114 4.432 4.320 -0.003 0.000 0.270 883 K C 0.218 176.926 176.600 0.179 0.000 1.003 883 K CA 0.000 56.374 56.287 0.145 0.000 0.957 883 K CB 0.136 32.707 32.500 0.119 0.000 0.939 883 K HN 0.751 nan 8.250 nan 0.000 0.482 884 D N -0.322 120.206 120.400 0.213 0.000 2.705 884 D HA -0.194 4.445 4.640 -0.003 0.000 0.240 884 D C -1.038 175.443 176.300 0.301 0.000 1.137 884 D CA 1.218 55.356 54.000 0.229 0.000 0.677 884 D CB -0.970 39.934 40.800 0.174 0.000 1.049 884 D HN 0.597 nan 8.370 nan 0.000 0.427 885 A N -0.384 122.627 122.820 0.318 0.000 2.498 885 A HA 0.841 5.160 4.320 -0.003 0.000 0.298 885 A C 0.068 177.783 177.584 0.219 0.000 1.075 885 A CA -0.333 51.900 52.037 0.327 0.000 0.714 885 A CB 2.202 21.467 19.000 0.441 0.000 1.299 885 A HN 0.011 nan 8.150 nan 0.000 0.407 886 T N 0.270 114.856 114.554 0.053 0.000 2.841 886 T HA 0.555 4.903 4.350 -0.003 0.000 0.296 886 T C -0.312 174.251 174.700 -0.228 0.000 1.166 886 T CA -0.406 61.647 62.100 -0.077 0.000 1.007 886 T CB 1.599 70.393 68.868 -0.124 0.000 1.253 886 T HN 0.616 nan 8.240 nan 0.000 0.511 887 T N 2.344 116.770 114.554 -0.212 0.000 2.884 887 T HA 0.192 4.540 4.350 -0.003 0.000 0.298 887 T C 1.696 176.221 174.700 -0.292 0.000 0.998 887 T CA -0.563 61.388 62.100 -0.249 0.000 1.124 887 T CB 0.208 68.959 68.868 -0.195 0.000 0.931 887 T HN 0.354 nan 8.240 nan 0.000 0.531 888 I N 2.354 122.759 120.570 -0.275 0.000 2.264 888 I HA -0.189 3.979 4.170 -0.003 0.000 0.248 888 I C 2.634 178.616 176.117 -0.226 0.000 1.111 888 I CA 1.352 62.519 61.300 -0.222 0.000 1.382 888 I CB -1.687 36.275 38.000 -0.063 0.000 1.060 888 I HN 0.748 nan 8.210 nan 0.000 0.418 889 A N 0.869 123.542 122.820 -0.244 0.000 1.902 889 A HA -0.196 4.123 4.320 -0.003 0.000 0.217 889 A C 2.323 179.816 177.584 -0.152 0.000 1.181 889 A CA 1.346 53.250 52.037 -0.221 0.000 0.623 889 A CB -0.435 18.433 19.000 -0.220 0.000 0.818 889 A HN 0.302 nan 8.150 nan 0.000 0.443 890 K N -0.272 120.031 120.400 -0.162 0.000 2.074 890 K HA -0.140 4.178 4.320 -0.003 0.000 0.209 890 K C 1.844 178.358 176.600 -0.142 0.000 1.048 890 K CA 1.582 57.792 56.287 -0.128 0.000 0.926 890 K CB -0.533 31.886 32.500 -0.136 0.000 0.713 890 K HN 0.619 nan 8.250 nan 0.000 0.444 891 I N 1.274 121.700 120.570 -0.241 0.000 2.286 891 I HA -0.279 3.889 4.170 -0.003 0.000 0.248 891 I C 2.606 178.644 176.117 -0.131 0.000 1.115 891 I CA 1.133 62.271 61.300 -0.270 0.000 1.392 891 I CB -0.246 37.495 38.000 -0.432 0.000 1.065 891 I HN 0.165 nan 8.210 nan 0.000 0.418 892 Q N 0.483 120.204 119.800 -0.131 0.000 2.083 892 Q HA -0.187 4.152 4.340 -0.003 0.000 0.198 892 Q C 2.206 178.197 176.000 -0.015 0.000 0.969 892 Q CA 1.453 57.200 55.803 -0.094 0.000 0.838 892 Q CB -0.313 28.308 28.738 -0.194 0.000 0.900 892 Q HN 0.588 nan 8.270 nan 0.000 0.436 893 Q N -0.019 119.786 119.800 0.008 0.000 2.135 893 Q HA -0.120 4.219 4.340 -0.003 0.000 0.204 893 Q C 2.263 178.279 176.000 0.026 0.000 0.981 893 Q CA 1.516 57.348 55.803 0.048 0.000 0.856 893 Q CB 0.012 28.779 28.738 0.048 0.000 0.902 893 Q HN 0.210 nan 8.270 nan 0.000 0.425 894 S N 0.044 115.750 115.700 0.010 0.000 2.354 894 S HA -0.180 4.288 4.470 -0.003 0.000 0.219 894 S C 2.042 176.653 174.600 0.019 0.000 1.035 894 S CA 1.710 59.925 58.200 0.024 0.000 1.037 894 S CB -0.584 62.644 63.200 0.047 0.000 0.956 894 S HN 0.431 nan 8.310 nan 0.000 0.428 895 T N 2.454 117.013 114.554 0.010 0.000 2.555 895 T HA -0.083 4.265 4.350 -0.003 0.000 0.264 895 T C 1.693 176.382 174.700 -0.019 0.000 1.083 895 T CA 1.605 63.698 62.100 -0.012 0.000 1.179 895 T CB -0.483 68.359 68.868 -0.042 0.000 0.863 895 T HN 0.135 nan 8.240 nan 0.000 0.412 896 V N -0.126 119.777 119.914 -0.018 0.000 2.403 896 V HA 0.562 4.680 4.120 -0.003 0.000 0.145 896 V C 1.542 177.643 176.094 0.012 0.000 0.956 896 V CA 0.964 63.255 62.300 -0.016 0.000 1.390 896 V CB -0.612 31.201 31.823 -0.016 0.000 0.853 896 V HN 0.736 nan 8.190 nan 0.000 0.427 897 G N -1.158 107.666 108.800 0.041 0.000 2.619 897 G HA2 0.138 4.097 3.960 -0.003 0.000 0.146 897 G HA3 0.138 4.097 3.960 -0.003 0.000 0.146 897 G C -0.999 173.982 174.900 0.135 0.000 1.192 897 G CA -0.380 44.759 45.100 0.065 0.000 1.063 897 G HN 0.323 nan 8.290 nan 0.000 0.538 898 N N 2.145 120.937 118.700 0.152 0.000 3.052 898 N HA 0.247 4.986 4.740 -0.003 0.000 0.302 898 N C -0.172 175.569 175.510 0.385 0.000 1.332 898 N CA 0.629 53.849 53.050 0.283 0.000 1.129 898 N CB 0.558 39.156 38.487 0.185 0.000 1.436 898 N HN 0.729 nan 8.380 nan 0.000 0.536 899 T N -5.358 109.290 114.554 0.157 0.000 2.865 899 T HA 0.478 4.826 4.350 -0.003 0.000 0.294 899 T C 1.009 175.189 174.700 -0.866 0.000 1.119 899 T CA -0.822 61.099 62.100 -0.299 0.000 1.007 899 T CB 1.686 70.449 68.868 -0.176 0.000 1.225 899 T HN -0.014 nan 8.240 nan 0.000 0.515 900 G N -0.392 107.725 108.800 -1.139 0.000 2.985 900 G HA2 0.401 4.359 3.960 -0.003 0.000 0.209 900 G HA3 0.401 4.359 3.960 -0.003 0.000 0.209 900 G C 0.908 175.121 174.900 -1.144 0.000 1.165 900 G CA 0.048 44.343 45.100 -1.341 0.000 0.776 900 G HN 1.230 nan 8.290 nan 0.000 0.541 901 A N 1.069 123.507 122.820 -0.637 0.000 3.004 901 A HA 0.447 4.766 4.320 -0.003 0.000 0.254 901 A C 0.108 177.445 177.584 -0.411 0.000 1.857 901 A CA -0.556 51.195 52.037 -0.477 0.000 1.460 901 A CB -1.271 17.554 19.000 -0.291 0.000 0.963 901 A HN 0.322 nan 8.150 nan 0.000 0.624 902 F N 1.223 120.829 119.950 -0.573 0.000 2.607 902 F HA 0.050 4.576 4.527 -0.003 0.000 0.374 902 F C 1.229 176.526 175.800 -0.838 0.000 1.104 902 F CA -0.039 57.440 58.000 -0.869 0.000 1.296 902 F CB 0.742 38.766 39.000 -1.627 0.000 1.085 902 F HN 0.242 nan 8.300 nan 0.000 0.584 903 K N 2.018 122.205 120.400 -0.355 0.000 2.148 903 K HA 0.184 4.503 4.320 -0.003 0.000 0.239 903 K C -0.089 176.458 176.600 -0.089 0.000 1.018 903 K CA -0.430 55.721 56.287 -0.227 0.000 0.923 903 K CB 0.922 33.310 32.500 -0.185 0.000 1.117 903 K HN 0.473 nan 8.250 nan 0.000 0.477 904 D N 0.363 120.731 120.400 -0.052 0.000 2.449 904 D HA -0.010 4.629 4.640 -0.003 0.000 0.210 904 D C 0.571 176.564 176.300 -0.513 0.000 1.094 904 D CA 0.443 54.449 54.000 0.010 0.000 0.846 904 D CB 0.514 41.354 40.800 0.066 0.000 1.003 904 D HN 0.451 nan 8.370 nan 0.000 0.504 905 E N -0.171 119.649 120.200 -0.634 0.000 2.473 905 E HA 0.090 4.439 4.350 -0.003 0.000 0.204 905 E C 1.880 178.424 176.600 -0.094 0.000 0.994 905 E CA -0.024 55.907 56.400 -0.783 0.000 0.945 905 E CB -0.255 29.080 29.700 -0.609 0.000 0.990 905 E HN -0.084 nan 8.360 nan 0.000 0.493 906 V N 1.525 121.360 119.914 -0.132 0.000 2.277 906 V HA -0.335 3.783 4.120 -0.003 0.000 0.253 906 V C 2.228 178.417 176.094 0.159 0.000 1.067 906 V CA 2.055 64.346 62.300 -0.016 0.000 1.047 906 V CB -0.545 31.252 31.823 -0.043 0.000 0.649 906 V HN 0.325 nan 8.190 nan 0.000 0.447 907 L N -0.297 121.013 121.223 0.146 0.000 1.976 907 L HA -0.207 4.131 4.340 -0.003 0.000 0.209 907 L C 2.719 179.746 176.870 0.263 0.000 1.071 907 L CA 2.210 57.148 54.840 0.164 0.000 0.746 907 L CB -0.476 41.632 42.059 0.082 0.000 0.890 907 L HN 0.435 nan 8.230 nan 0.000 0.432 908 S N -1.453 114.428 115.700 0.302 0.000 2.419 908 S HA -0.256 4.213 4.470 -0.003 0.000 0.235 908 S C 1.721 176.480 174.600 0.265 0.000 1.019 908 S CA 1.368 59.767 58.200 0.331 0.000 0.982 908 S CB -0.368 63.142 63.200 0.516 0.000 0.789 908 S HN 0.536 nan 8.310 nan 0.000 0.490 909 H N -2.106 117.080 119.070 0.194 0.000 2.502 909 H HA 0.103 4.658 4.556 -0.003 0.000 0.283 909 H C 1.303 176.720 175.328 0.148 0.000 1.015 909 H CA 1.287 57.412 56.048 0.128 0.000 1.298 909 H CB -0.136 29.681 29.762 0.093 0.000 1.411 909 H HN 0.621 nan 8.280 nan 0.000 0.556 910 W N -0.038 121.343 121.300 0.135 0.000 2.539 910 W HA 0.059 4.717 4.660 -0.003 0.000 0.281 910 W C 1.641 178.204 176.519 0.073 0.000 1.220 910 W CA 0.490 57.884 57.345 0.081 0.000 1.332 910 W CB -0.104 29.391 29.460 0.057 0.000 1.095 910 W HN 0.100 nan 8.180 nan 0.000 0.571 911 L N 0.831 122.241 121.223 0.311 0.000 2.072 911 L HA -0.156 4.183 4.340 -0.003 0.000 0.205 911 L C 2.340 179.290 176.870 0.134 0.000 1.079 911 L CA 1.486 56.448 54.840 0.202 0.000 0.752 911 L CB -0.491 41.748 42.059 0.300 0.000 0.906 911 L HN -0.102 nan 8.230 nan 0.000 0.436 912 K N -0.068 120.396 120.400 0.106 0.000 2.097 912 K HA -0.244 4.075 4.320 -0.003 0.000 0.206 912 K C 1.814 178.322 176.600 -0.154 0.000 1.049 912 K CA 1.689 57.872 56.287 -0.172 0.000 0.933 912 K CB -0.106 32.110 32.500 -0.473 0.000 0.717 912 K HN 0.333 nan 8.250 nan 0.000 0.442 913 E N 1.553 121.664 120.200 -0.149 0.000 2.150 913 E HA -0.159 4.189 4.350 -0.003 0.000 0.193 913 E C 1.573 178.046 176.600 -0.212 0.000 0.985 913 E CA 1.381 57.680 56.400 -0.168 0.000 0.814 913 E CB 0.086 29.691 29.700 -0.159 0.000 0.752 913 E HN -0.039 nan 8.360 nan 0.000 0.466 914 K N -0.257 119.967 120.400 -0.294 0.000 2.243 914 K HA 0.110 4.429 4.320 -0.003 0.000 0.201 914 K C 0.292 176.810 176.600 -0.136 0.000 1.051 914 K CA 0.559 56.659 56.287 -0.311 0.000 0.970 914 K CB -0.015 32.172 32.500 -0.521 0.000 0.755 914 K HN 0.182 nan 8.250 nan 0.000 0.465 915 C N 2.351 121.619 119.300 -0.053 0.000 2.572 915 C HA 0.279 4.737 4.460 -0.003 0.000 0.428 915 C C -1.482 173.513 174.990 0.009 0.000 1.269 915 C CA -1.355 57.681 59.018 0.030 0.000 1.640 915 C CB -0.045 27.798 27.740 0.172 0.000 1.977 915 C HN 0.181 nan 8.230 nan 0.000 0.571 916 P HA -0.133 nan 4.420 nan 0.000 0.216 916 P C 0.286 177.576 177.300 -0.015 0.000 1.157 916 P CA 1.260 64.336 63.100 -0.040 0.000 0.880 916 P CB -0.046 31.630 31.700 -0.041 0.000 0.791 917 I N 0.737 121.309 120.570 0.004 0.000 2.578 917 I HA -0.052 4.116 4.170 -0.003 0.000 0.286 917 I C 1.658 177.803 176.117 0.045 0.000 1.126 917 I CA 0.560 61.871 61.300 0.018 0.000 1.380 917 I CB -0.442 37.570 38.000 0.019 0.000 1.408 917 I HN -0.074 nan 8.210 nan 0.000 0.532 918 E N 4.915 125.139 120.200 0.041 0.000 2.033 918 E HA -0.260 4.089 4.350 -0.003 0.000 0.199 918 E C 1.601 178.269 176.600 0.113 0.000 1.011 918 E CA 1.648 58.095 56.400 0.078 0.000 0.815 918 E CB -0.107 29.622 29.700 0.048 0.000 0.755 918 E HN 0.677 nan 8.360 nan 0.000 0.451 919 E N 0.353 120.596 120.200 0.071 0.000 2.339 919 E HA -0.214 4.134 4.350 -0.003 0.000 0.201 919 E C 1.912 178.547 176.600 0.059 0.000 1.015 919 E CA 0.978 57.414 56.400 0.060 0.000 0.841 919 E CB -0.112 29.610 29.700 0.037 0.000 0.754 919 E HN 0.165 nan 8.360 nan 0.000 0.508 920 K N -0.132 120.312 120.400 0.074 0.000 2.374 920 K HA -0.021 4.298 4.320 -0.003 0.000 0.196 920 K C 1.387 178.041 176.600 0.090 0.000 1.023 920 K CA -0.042 56.283 56.287 0.062 0.000 1.103 920 K CB 0.199 32.729 32.500 0.050 0.000 0.848 920 K HN 0.016 nan 8.250 nan 0.000 0.528 921 F N 1.913 121.860 119.950 -0.006 0.000 2.164 921 F HA 0.049 4.575 4.527 -0.003 0.000 0.287 921 F C 2.110 177.909 175.800 -0.002 0.000 1.086 921 F CA 0.971 58.963 58.000 -0.012 0.000 1.249 921 F CB -0.035 38.951 39.000 -0.022 0.000 1.059 921 F HN -0.044 nan 8.300 nan 0.000 0.490 922 Q N 0.818 120.564 119.800 -0.091 0.000 2.234 922 Q HA -0.138 4.200 4.340 -0.003 0.000 0.206 922 Q C 2.333 178.248 176.000 -0.142 0.000 0.980 922 Q CA 1.385 57.102 55.803 -0.144 0.000 0.869 922 Q CB -1.019 27.750 28.738 0.052 0.000 0.912 922 Q HN 0.560 nan 8.270 nan 0.000 0.436 923 A N 0.773 123.544 122.820 -0.081 0.000 1.872 923 A HA 0.037 4.355 4.320 -0.003 0.000 0.214 923 A C 2.305 179.847 177.584 -0.070 0.000 1.187 923 A CA 1.577 53.586 52.037 -0.046 0.000 0.614 923 A CB -0.615 18.378 19.000 -0.012 0.000 0.826 923 A HN 0.344 nan 8.150 nan 0.000 0.442 924 A N -0.574 122.181 122.820 -0.108 0.000 2.015 924 A HA 0.073 4.392 4.320 -0.003 0.000 0.219 924 A C 2.168 179.667 177.584 -0.142 0.000 1.163 924 A CA 1.654 53.642 52.037 -0.082 0.000 0.646 924 A CB -0.697 18.266 19.000 -0.061 0.000 0.806 924 A HN 0.338 nan 8.150 nan 0.000 0.448 925 V N -0.187 119.509 119.914 -0.363 0.000 2.323 925 V HA -0.236 3.882 4.120 -0.003 0.000 0.244 925 V C 2.491 178.480 176.094 -0.174 0.000 1.041 925 V CA 2.172 64.226 62.300 -0.411 0.000 1.025 925 V CB -0.660 30.728 31.823 -0.725 0.000 0.656 925 V HN 0.784 nan 8.190 nan 0.000 0.451 926 E N -0.047 120.085 120.200 -0.113 0.000 2.110 926 E HA -0.240 4.108 4.350 -0.003 0.000 0.193 926 E C 2.491 179.208 176.600 0.194 0.000 0.988 926 E CA 0.975 57.413 56.400 0.063 0.000 0.804 926 E CB -0.015 29.751 29.700 0.112 0.000 0.745 926 E HN 0.308 nan 8.360 nan 0.000 0.458 927 R N -0.009 120.560 120.500 0.114 0.000 2.082 927 R HA -0.177 4.161 4.340 -0.003 0.000 0.234 927 R C 2.277 178.689 176.300 0.187 0.000 1.136 927 R CA 1.560 57.741 56.100 0.135 0.000 0.935 927 R CB -1.103 29.252 30.300 0.091 0.000 0.842 927 R HN 0.298 nan 8.270 nan 0.000 0.430 928 F N 1.337 121.294 119.950 0.012 0.000 2.063 928 F HA -0.281 4.244 4.527 -0.003 0.000 0.298 928 F C 2.360 178.184 175.800 0.041 0.000 1.109 928 F CA 1.664 59.660 58.000 -0.007 0.000 1.212 928 F CB -0.463 38.481 39.000 -0.092 0.000 0.973 928 F HN -0.227 nan 8.300 nan 0.000 0.480 929 V N -0.714 119.318 119.914 0.196 0.000 2.324 929 V HA -0.366 3.753 4.120 -0.003 0.000 0.250 929 V C 2.038 178.143 176.094 0.018 0.000 1.060 929 V CA 2.309 64.687 62.300 0.129 0.000 1.042 929 V CB -1.108 30.753 31.823 0.064 0.000 0.650 929 V HN 0.407 nan 8.190 nan 0.000 0.450 930 Y N 1.112 121.413 120.300 0.001 0.000 2.176 930 Y HA -0.187 4.362 4.550 -0.003 0.000 0.291 930 Y C 2.961 178.816 175.900 -0.074 0.000 1.122 930 Y CA 1.720 59.777 58.100 -0.072 0.000 1.128 930 Y CB -0.677 37.724 38.460 -0.097 0.000 1.005 930 Y HN 0.360 nan 8.280 nan 0.000 0.509 931 S N -0.946 114.833 115.700 0.132 0.000 2.365 931 S HA -0.322 4.146 4.470 -0.003 0.000 0.225 931 S C 2.203 176.874 174.600 0.119 0.000 1.039 931 S CA 1.319 59.606 58.200 0.145 0.000 1.033 931 S CB -1.504 61.777 63.200 0.136 0.000 0.887 931 S HN 0.619 nan 8.310 nan 0.000 0.447 932 C N 2.369 121.597 119.300 -0.119 0.000 2.413 932 C HA 0.093 4.551 4.460 -0.003 0.000 0.277 932 C C 3.196 178.274 174.990 0.147 0.000 1.228 932 C CA 1.156 60.107 59.018 -0.112 0.000 1.731 932 C CB -1.804 25.669 27.740 -0.445 0.000 2.042 932 C HN 0.707 nan 8.230 nan 0.000 0.468 933 A N 0.479 123.387 122.820 0.148 0.000 1.883 933 A HA 0.073 4.391 4.320 -0.003 0.000 0.217 933 A C 2.487 179.974 177.584 -0.162 0.000 1.186 933 A CA 2.337 54.306 52.037 -0.114 0.000 0.624 933 A CB -1.629 17.074 19.000 -0.495 0.000 0.822 933 A HN 0.757 nan 8.150 nan 0.000 0.444 934 G N -1.334 107.389 108.800 -0.129 0.000 2.514 934 G HA2 -0.297 3.661 3.960 -0.003 0.000 0.217 934 G HA3 -0.297 3.661 3.960 -0.003 0.000 0.217 934 G C 1.466 176.338 174.900 -0.048 0.000 1.198 934 G CA 1.384 46.382 45.100 -0.170 0.000 0.780 934 G HN 0.545 nan 8.290 nan 0.000 0.565 935 Y N 0.093 120.372 120.300 -0.035 0.000 2.274 935 Y HA -0.111 4.437 4.550 -0.003 0.000 0.290 935 Y C 3.184 179.039 175.900 -0.075 0.000 1.145 935 Y CA 0.705 58.745 58.100 -0.099 0.000 1.203 935 Y CB -0.616 37.643 38.460 -0.335 0.000 0.984 935 Y HN 0.238 nan 8.280 nan 0.000 0.533 936 C N -1.024 118.296 119.300 0.034 0.000 2.413 936 C HA -0.180 4.278 4.460 -0.003 0.000 0.276 936 C C 2.752 177.664 174.990 -0.130 0.000 1.236 936 C CA 1.257 60.127 59.018 -0.247 0.000 1.735 936 C CB -1.126 26.325 27.740 -0.482 0.000 2.031 936 C HN 0.371 nan 8.230 nan 0.000 0.474 937 V N 1.225 121.151 119.914 0.021 0.000 2.270 937 V HA -0.165 3.953 4.120 -0.003 0.000 0.245 937 V C 2.691 178.972 176.094 0.312 0.000 1.043 937 V CA 2.209 64.619 62.300 0.183 0.000 1.014 937 V CB -1.480 30.356 31.823 0.022 0.000 0.645 937 V HN 0.593 nan 8.190 nan 0.000 0.447 938 A N 0.248 123.221 122.820 0.254 0.000 1.865 938 A HA -0.261 4.057 4.320 -0.003 0.000 0.217 938 A C 2.408 180.119 177.584 0.212 0.000 1.191 938 A CA 2.790 54.938 52.037 0.185 0.000 0.623 938 A CB -1.249 17.791 19.000 0.066 0.000 0.826 938 A HN 0.516 nan 8.150 nan 0.000 0.444 939 T N -0.573 114.137 114.554 0.260 0.000 2.720 939 T HA -0.174 4.174 4.350 -0.003 0.000 0.268 939 T C 1.613 176.585 174.700 0.453 0.000 1.037 939 T CA 1.646 63.966 62.100 0.366 0.000 1.144 939 T CB -0.447 68.689 68.868 0.447 0.000 0.864 939 T HN 0.477 nan 8.240 nan 0.000 0.444 940 F N 2.453 122.637 119.950 0.389 0.000 2.069 940 F HA -0.147 4.378 4.527 -0.003 0.000 0.298 940 F C 2.251 178.296 175.800 0.407 0.000 1.113 940 F CA 0.793 59.081 58.000 0.480 0.000 1.214 940 F CB -0.932 38.438 39.000 0.617 0.000 0.978 940 F HN -0.057 nan 8.300 nan 0.000 0.474 941 V N 1.059 121.039 119.914 0.109 0.000 2.453 941 V HA -0.298 3.820 4.120 -0.003 0.000 0.252 941 V C 2.345 178.386 176.094 -0.087 0.000 1.068 941 V CA 1.899 64.129 62.300 -0.116 0.000 1.070 941 V CB -0.887 30.949 31.823 0.021 0.000 0.664 941 V HN 0.413 nan 8.190 nan 0.000 0.461 942 L N 0.224 121.505 121.223 0.098 0.000 2.591 942 L HA 0.315 4.654 4.340 -0.003 0.000 0.228 942 L C 1.621 178.673 176.870 0.303 0.000 1.133 942 L CA 0.655 55.614 54.840 0.198 0.000 0.880 942 L CB -0.508 41.687 42.059 0.226 0.000 1.033 942 L HN 0.533 nan 8.230 nan 0.000 0.450 943 G N 2.179 111.161 108.800 0.303 0.000 2.273 943 G HA2 -0.289 3.670 3.960 -0.003 0.000 0.280 943 G HA3 -0.289 3.670 3.960 -0.003 0.000 0.280 943 G C 0.465 175.434 174.900 0.115 0.000 1.047 943 G CA 0.646 45.794 45.100 0.081 0.000 0.869 943 G HN 0.633 nan 8.290 nan 0.000 0.502 944 I N -4.099 116.624 120.570 0.256 0.000 3.171 944 I HA 0.556 4.725 4.170 -0.003 0.000 0.329 944 I C 1.187 177.513 176.117 0.349 0.000 1.522 944 I CA -0.044 61.422 61.300 0.276 0.000 0.948 944 I CB 0.231 38.419 38.000 0.313 0.000 1.527 944 I HN 0.024 nan 8.210 nan 0.000 0.547 945 G N 0.479 109.510 108.800 0.385 0.000 2.426 945 G HA2 -0.111 3.848 3.960 -0.003 0.000 0.214 945 G HA3 -0.111 3.848 3.960 -0.003 0.000 0.214 945 G C 0.486 175.589 174.900 0.339 0.000 1.156 945 G CA 0.221 45.596 45.100 0.457 0.000 0.802 945 G HN 0.467 nan 8.290 nan 0.000 0.534 946 D N 1.287 121.863 120.400 0.293 0.000 2.348 946 D HA 0.179 4.818 4.640 -0.003 0.000 0.259 946 D C 0.005 176.425 176.300 0.200 0.000 1.296 946 D CA 0.204 54.385 54.000 0.301 0.000 0.931 946 D CB 0.129 41.154 40.800 0.375 0.000 1.067 946 D HN 0.116 nan 8.370 nan 0.000 0.503 947 R N 2.289 122.782 120.500 -0.012 0.000 2.740 947 R HA 0.161 4.500 4.340 -0.003 0.000 0.273 947 R C -0.336 175.576 176.300 -0.646 0.000 0.998 947 R CA -0.990 54.857 56.100 -0.421 0.000 0.900 947 R CB 1.330 31.456 30.300 -0.290 0.000 1.223 947 R HN 0.462 nan 8.270 nan 0.000 0.466 948 H N 1.548 119.953 119.070 -1.107 0.000 2.948 948 H HA -0.015 4.539 4.556 -0.003 0.000 0.351 948 H C 1.106 176.207 175.328 -0.378 0.000 1.079 948 H CA 0.740 56.331 56.048 -0.763 0.000 1.407 948 H CB 0.714 30.093 29.762 -0.637 0.000 1.373 948 H HN 0.493 nan 8.280 nan 0.000 0.605 949 N N 2.274 120.465 118.700 -0.847 0.000 2.443 949 N HA -0.184 4.555 4.740 -0.003 0.000 0.184 949 N C 0.713 175.854 175.510 -0.616 0.000 1.037 949 N CA 1.235 53.910 53.050 -0.626 0.000 0.896 949 N CB 0.056 38.237 38.487 -0.510 0.000 0.959 949 N HN 0.716 nan 8.380 nan 0.000 0.442 950 D N -0.436 119.481 120.400 -0.805 0.000 2.323 950 D HA 0.085 4.724 4.640 -0.003 0.000 0.209 950 D C 0.476 176.603 176.300 -0.289 0.000 0.973 950 D CA 0.599 54.368 54.000 -0.386 0.000 0.874 950 D CB -0.074 40.641 40.800 -0.142 0.000 0.930 950 D HN 0.262 nan 8.370 nan 0.000 0.521 951 N N -0.462 118.040 118.700 -0.331 0.000 2.279 951 N HA 0.205 4.943 4.740 -0.003 0.000 0.226 951 N C -0.612 174.658 175.510 -0.400 0.000 1.126 951 N CA -0.052 52.802 53.050 -0.325 0.000 0.846 951 N CB 0.974 39.268 38.487 -0.321 0.000 1.050 951 N HN 0.160 nan 8.380 nan 0.000 0.502 952 I N 1.048 121.383 120.570 -0.390 0.000 2.533 952 I HA 0.376 4.545 4.170 -0.003 0.000 0.290 952 I C -0.535 175.330 176.117 -0.419 0.000 1.056 952 I CA -0.538 60.524 61.300 -0.396 0.000 1.057 952 I CB 1.955 39.784 38.000 -0.284 0.000 1.240 952 I HN -0.176 nan 8.210 nan 0.000 0.423 953 M N 5.598 124.797 119.600 -0.669 0.000 2.716 953 M HA 0.627 5.106 4.480 -0.003 0.000 0.307 953 M C -1.289 174.618 176.300 -0.654 0.000 1.223 953 M CA -0.914 53.926 55.300 -0.766 0.000 0.871 953 M CB 3.115 35.053 32.600 -1.103 0.000 1.739 953 M HN 0.397 nan 8.290 nan 0.000 0.475 954 I N 0.417 120.788 120.570 -0.331 0.000 2.802 954 I HA 0.495 4.664 4.170 -0.003 0.000 0.298 954 I C -0.703 175.536 176.117 0.202 0.000 1.176 954 I CA -0.027 61.256 61.300 -0.028 0.000 1.025 954 I CB 2.369 40.342 38.000 -0.046 0.000 1.243 954 I HN 0.815 nan 8.210 nan 0.000 0.424 955 S N 3.644 119.561 115.700 0.363 0.000 2.681 955 S HA 0.489 4.958 4.470 -0.003 0.000 0.299 955 S C 0.345 175.200 174.600 0.425 0.000 1.113 955 S CA -0.563 57.877 58.200 0.400 0.000 1.013 955 S CB 1.412 64.807 63.200 0.326 0.000 1.076 955 S HN 0.650 nan 8.310 nan 0.000 0.534 956 E N 0.501 120.906 120.200 0.342 0.000 2.505 956 E HA -0.010 4.338 4.350 -0.003 0.000 0.197 956 E C 0.581 177.248 176.600 0.111 0.000 1.111 956 E CA 0.841 57.335 56.400 0.157 0.000 0.887 956 E CB -0.304 29.425 29.700 0.049 0.000 0.913 956 E HN 0.851 nan 8.360 nan 0.000 0.517 957 T N -4.542 110.106 114.554 0.158 0.000 3.040 957 T HA 0.316 4.664 4.350 -0.003 0.000 0.266 957 T C 1.258 176.033 174.700 0.126 0.000 1.005 957 T CA 0.065 62.231 62.100 0.110 0.000 0.906 957 T CB 0.962 69.886 68.868 0.093 0.000 1.082 957 T HN 0.131 nan 8.240 nan 0.000 0.531 958 G N 1.894 110.810 108.800 0.193 0.000 2.137 958 G HA2 -0.233 3.726 3.960 -0.003 0.000 0.237 958 G HA3 -0.233 3.726 3.960 -0.003 0.000 0.237 958 G C -0.206 174.857 174.900 0.272 0.000 1.002 958 G CA -0.197 45.037 45.100 0.224 0.000 0.702 958 G HN 0.668 nan 8.290 nan 0.000 0.515 959 N N 0.076 118.932 118.700 0.261 0.000 2.426 959 N HA 0.525 5.264 4.740 -0.003 0.000 0.257 959 N C -0.092 175.597 175.510 0.299 0.000 1.002 959 N CA -0.482 52.721 53.050 0.254 0.000 0.942 959 N CB 1.216 39.841 38.487 0.231 0.000 1.112 959 N HN 0.325 nan 8.380 nan 0.000 0.499 960 L N 5.011 126.317 121.223 0.139 0.000 2.334 960 L HA 0.630 4.968 4.340 -0.003 0.000 0.277 960 L C -1.053 175.797 176.870 -0.033 0.000 1.075 960 L CA -0.308 54.506 54.840 -0.044 0.000 0.804 960 L CB 0.258 42.118 42.059 -0.332 0.000 1.174 960 L HN 0.475 nan 8.230 nan 0.000 0.438 961 F N 1.294 121.023 119.950 -0.368 0.000 2.639 961 F HA 0.433 4.959 4.527 -0.002 0.000 0.326 961 F C -0.763 174.786 175.800 -0.420 0.000 1.150 961 F CA -0.919 56.614 58.000 -0.777 0.000 1.057 961 F CB 0.168 39.104 39.000 -0.107 0.000 1.300 961 F HN 0.536 nan 8.300 nan 0.000 0.486 962 H N 3.888 122.540 119.070 -0.697 0.000 2.757 962 H HA 0.549 5.104 4.556 -0.003 0.000 0.370 962 H C 0.440 175.716 175.328 -0.087 0.000 1.172 962 H CA 0.208 56.093 56.048 -0.272 0.000 1.426 962 H CB 1.777 31.528 29.762 -0.019 0.000 1.438 962 H HN 0.808 nan 8.280 nan 0.000 0.612 963 I N -1.867 118.549 120.570 -0.258 0.000 3.801 963 I HA 0.205 4.373 4.170 -0.003 0.000 0.247 963 I C 0.096 175.907 176.117 -0.509 0.000 0.555 963 I CA -0.705 60.484 61.300 -0.185 0.000 3.027 963 I CB -0.229 37.686 38.000 -0.142 0.000 1.495 963 I HN 0.294 nan 8.210 nan 0.000 0.534 964 D N 1.896 122.141 120.400 -0.257 0.000 5.290 964 D HA -0.137 4.501 4.640 -0.003 0.000 0.213 964 D C -0.286 175.895 176.300 -0.199 0.000 1.366 964 D CA 0.954 54.857 54.000 -0.161 0.000 0.836 964 D CB -0.229 40.493 40.800 -0.131 0.000 1.333 964 D HN 0.349 nan 8.370 nan 0.000 0.758 965 F N 1.190 121.233 119.950 0.154 0.000 2.684 965 F HA 0.225 4.750 4.527 -0.003 0.000 0.298 965 F C 2.104 177.975 175.800 0.119 0.000 1.120 965 F CA -0.369 57.714 58.000 0.139 0.000 1.332 965 F CB 0.356 39.447 39.000 0.152 0.000 0.986 965 F HN 0.365 nan 8.300 nan 0.000 0.524 966 G N 0.949 109.890 108.800 0.235 0.000 3.569 966 G HA2 -0.318 3.640 3.960 -0.003 0.000 0.224 966 G HA3 -0.318 3.640 3.960 -0.003 0.000 0.224 966 G C 1.376 176.474 174.900 0.331 0.000 1.013 966 G CA 1.391 46.636 45.100 0.242 0.000 0.737 966 G HN 0.432 nan 8.290 nan 0.000 1.230 967 H N -1.220 117.889 119.070 0.064 0.000 2.284 967 H HA 0.129 4.683 4.556 -0.003 0.000 0.314 967 H C 1.711 177.082 175.328 0.072 0.000 1.058 967 H CA -0.109 55.972 56.048 0.055 0.000 1.394 967 H CB -0.098 29.687 29.762 0.039 0.000 1.431 967 H HN 0.202 nan 8.280 nan 0.000 0.537 981 E N 1.220 121.392 120.200 -0.047 0.000 2.366 981 E HA 0.354 4.703 4.350 -0.003 0.000 0.266 981 E C -0.670 175.919 176.600 -0.019 0.000 1.051 981 E CA -0.190 56.194 56.400 -0.027 0.000 0.884 981 E CB 1.167 30.856 29.700 -0.019 0.000 1.006 981 E HN 0.429 nan 8.360 nan 0.000 0.417 982 R N 0.077 120.583 120.500 0.011 0.000 2.710 982 R HA 0.609 4.947 4.340 -0.003 0.000 0.270 982 R C -1.279 175.041 176.300 0.034 0.000 1.021 982 R CA -0.799 55.331 56.100 0.050 0.000 0.889 982 R CB 2.048 32.386 30.300 0.064 0.000 1.243 982 R HN 0.292 nan 8.270 nan 0.000 0.464 983 V N 2.499 122.448 119.914 0.058 0.000 2.876 983 V HA 0.420 4.538 4.120 -0.003 0.000 0.312 983 V C -1.743 174.328 176.094 -0.039 0.000 1.085 983 V CA -2.235 60.043 62.300 -0.036 0.000 0.945 983 V CB 2.420 34.222 31.823 -0.034 0.000 1.017 983 V HN 0.710 nan 8.190 nan 0.000 0.428 984 P HA -0.037 nan 4.420 nan 0.000 0.216 984 P C -0.131 177.195 177.300 0.043 0.000 1.153 984 P CA 1.616 64.599 63.100 -0.195 0.000 0.848 984 P CB 0.054 31.285 31.700 -0.782 0.000 0.787 985 F N -4.141 115.885 119.950 0.126 0.000 2.877 985 F HA 0.504 5.029 4.527 -0.003 0.000 0.319 985 F C -1.186 174.669 175.800 0.092 0.000 1.174 985 F CA -1.874 56.236 58.000 0.184 0.000 0.903 985 F CB 0.322 39.466 39.000 0.241 0.000 1.357 985 F HN -0.473 nan 8.300 nan 0.000 0.472 986 V N 2.309 122.474 119.914 0.418 0.000 2.389 986 V HA 0.424 4.543 4.120 -0.003 0.000 0.264 986 V C -0.548 175.571 176.094 0.042 0.000 1.049 986 V CA -0.063 62.297 62.300 0.099 0.000 0.932 986 V CB 0.773 32.560 31.823 -0.060 0.000 1.011 986 V HN 0.648 nan 8.190 nan 0.000 0.475 987 L N 6.434 127.596 121.223 -0.101 0.000 2.804 987 L HA 0.370 4.708 4.340 -0.003 0.000 0.294 987 L C 0.824 177.492 176.870 -0.337 0.000 1.355 987 L CA 0.039 54.817 54.840 -0.105 0.000 0.749 987 L CB 0.621 42.785 42.059 0.175 0.000 1.103 987 L HN 0.759 nan 8.230 nan 0.000 0.542 988 T N -1.734 112.398 114.554 -0.702 0.000 2.791 988 T HA 0.155 4.503 4.350 -0.003 0.000 0.323 988 T C -1.622 172.705 174.700 -0.622 0.000 1.082 988 T CA -0.704 60.897 62.100 -0.831 0.000 1.084 988 T CB 0.120 68.324 68.868 -1.106 0.000 0.992 988 T HN 0.171 nan 8.240 nan 0.000 0.547 989 P HA -0.143 nan 4.420 nan 0.000 0.217 989 P C 1.375 178.718 177.300 0.072 0.000 1.148 989 P CA 1.288 64.186 63.100 -0.336 0.000 0.828 989 P CB -0.077 31.407 31.700 -0.360 0.000 0.783 990 D N -1.517 118.990 120.400 0.178 0.000 2.219 990 D HA -0.167 4.471 4.640 -0.003 0.000 0.205 990 D C 1.600 178.193 176.300 0.489 0.000 0.970 990 D CA 1.159 55.418 54.000 0.433 0.000 0.851 990 D CB -1.123 40.026 40.800 0.581 0.000 0.943 990 D HN 0.126 nan 8.370 nan 0.000 0.488 991 F N 1.008 121.032 119.950 0.123 0.000 2.094 991 F HA 0.168 4.694 4.527 -0.003 0.000 0.291 991 F C 2.542 178.446 175.800 0.174 0.000 1.109 991 F CA 0.190 58.336 58.000 0.243 0.000 1.221 991 F CB -1.036 38.089 39.000 0.209 0.000 1.014 991 F HN -0.113 nan 8.300 nan 0.000 0.473 992 L N -1.284 120.101 121.223 0.269 0.000 2.187 992 L HA -0.258 4.081 4.340 -0.003 0.000 0.213 992 L C 2.384 179.327 176.870 0.121 0.000 1.100 992 L CA 1.076 55.975 54.840 0.099 0.000 0.765 992 L CB -0.735 41.289 42.059 -0.057 0.000 0.904 992 L HN 0.085 nan 8.230 nan 0.000 0.437 993 F N 0.188 120.176 119.950 0.063 0.000 2.113 993 F HA -0.162 4.364 4.527 -0.003 0.000 0.297 993 F C 2.250 178.084 175.800 0.056 0.000 1.103 993 F CA 1.386 59.425 58.000 0.065 0.000 1.248 993 F CB -0.169 38.896 39.000 0.109 0.000 0.999 993 F HN -0.261 nan 8.300 nan 0.000 0.475 994 V N 0.543 120.539 119.914 0.137 0.000 2.688 994 V HA -0.308 3.810 4.120 -0.003 0.000 0.256 994 V C 2.008 178.051 176.094 -0.086 0.000 1.084 994 V CA 1.813 64.078 62.300 -0.058 0.000 1.103 994 V CB -0.826 30.752 31.823 -0.408 0.000 0.688 994 V HN 0.385 nan 8.190 nan 0.000 0.480 995 M N 0.020 119.624 119.600 0.007 0.000 2.568 995 M HA 0.293 4.771 4.480 -0.003 0.000 0.226 995 M C 1.229 177.593 176.300 0.107 0.000 1.148 995 M CA 0.607 55.966 55.300 0.097 0.000 1.007 995 M CB 0.113 32.826 32.600 0.189 0.000 1.651 995 M HN 0.454 nan 8.290 nan 0.000 0.488 996 G N 1.769 110.532 108.800 -0.062 0.000 2.333 996 G HA2 -0.201 3.757 3.960 -0.003 0.000 0.296 996 G HA3 -0.201 3.757 3.960 -0.003 0.000 0.296 996 G C -0.291 174.538 174.900 -0.118 0.000 1.059 996 G CA 0.170 45.193 45.100 -0.129 0.000 1.050 996 G HN 0.412 nan 8.290 nan 0.000 0.508 997 T N -0.387 114.070 114.554 -0.162 0.000 3.186 997 T HA 0.532 4.880 4.350 -0.003 0.000 0.320 997 T C 0.790 175.458 174.700 -0.053 0.000 0.955 997 T CA 0.343 62.365 62.100 -0.131 0.000 1.030 997 T CB 1.617 70.343 68.868 -0.237 0.000 1.013 997 T HN 0.406 nan 8.240 nan 0.000 0.454 998 S N 2.584 118.286 115.700 0.003 0.000 2.324 998 S HA 0.333 4.801 4.470 -0.003 0.000 0.210 998 S C 1.434 176.058 174.600 0.039 0.000 1.027 998 S CA 1.015 59.290 58.200 0.125 0.000 0.945 998 S CB -0.436 62.856 63.200 0.155 0.000 0.908 998 S HN 0.821 nan 8.310 nan 0.000 0.496 999 G N 0.703 109.502 108.800 -0.002 0.000 2.494 999 G HA2 0.302 4.260 3.960 -0.003 0.000 0.270 999 G HA3 0.302 4.260 3.960 -0.003 0.000 0.270 999 G C -0.230 174.616 174.900 -0.089 0.000 1.423 999 G CA -0.490 44.592 45.100 -0.030 0.000 1.055 999 G HN 0.335 nan 8.290 nan 0.000 0.536 1000 K N 0.558 120.910 120.400 -0.079 0.000 2.706 1000 K HA 0.027 4.345 4.320 -0.003 0.000 0.217 1000 K C 0.411 176.952 176.600 -0.099 0.000 1.019 1000 K CA 0.235 56.460 56.287 -0.104 0.000 1.181 1000 K CB -0.502 31.960 32.500 -0.062 0.000 0.940 1000 K HN 0.561 nan 8.250 nan 0.000 0.491 1001 K N -0.225 120.111 120.400 -0.107 0.000 2.183 1001 K HA 0.225 4.543 4.320 -0.003 0.000 0.274 1001 K C 0.247 176.786 176.600 -0.102 0.000 1.009 1001 K CA -0.594 55.651 56.287 -0.070 0.000 0.888 1001 K CB 1.380 33.855 32.500 -0.042 0.000 1.078 1001 K HN -0.230 nan 8.250 nan 0.000 0.459 1002 T N 0.920 115.471 114.554 -0.004 0.000 2.616 1002 T HA 0.068 4.417 4.350 -0.003 0.000 0.327 1002 T C -0.212 174.546 174.700 0.097 0.000 1.049 1002 T CA 0.131 62.304 62.100 0.121 0.000 1.022 1002 T CB 0.438 69.430 68.868 0.206 0.000 1.009 1002 T HN 0.745 nan 8.240 nan 0.000 0.535 1003 S N -0.334 115.496 115.700 0.217 0.000 2.611 1003 S HA 0.386 4.855 4.470 -0.003 0.000 0.268 1003 S C 0.883 175.563 174.600 0.133 0.000 1.156 1003 S CA -0.702 57.579 58.200 0.135 0.000 0.817 1003 S CB 0.539 63.808 63.200 0.114 0.000 1.122 1003 S HN 0.642 nan 8.310 nan 0.000 0.466 1004 L N 1.699 122.933 121.223 0.020 0.000 1.994 1004 L HA -0.071 4.268 4.340 -0.003 0.000 0.208 1004 L C 2.191 179.045 176.870 -0.027 0.000 1.071 1004 L CA 1.258 56.061 54.840 -0.062 0.000 0.745 1004 L CB -0.694 41.240 42.059 -0.209 0.000 0.892 1004 L HN 0.737 nan 8.230 nan 0.000 0.431 1005 H N -1.207 117.923 119.070 0.099 0.000 2.395 1005 H HA -0.140 4.415 4.556 -0.003 0.000 0.299 1005 H C 2.036 177.466 175.328 0.171 0.000 1.070 1005 H CA 1.343 57.454 56.048 0.106 0.000 1.356 1005 H CB -0.318 29.500 29.762 0.094 0.000 1.401 1005 H HN 0.236 nan 8.280 nan 0.000 0.524 1006 F N 2.144 122.197 119.950 0.172 0.000 2.171 1006 F HA -0.175 4.350 4.527 -0.003 0.000 0.300 1006 F C 2.396 178.311 175.800 0.192 0.000 1.090 1006 F CA 1.333 59.424 58.000 0.152 0.000 1.293 1006 F CB -0.154 38.891 39.000 0.075 0.000 1.013 1006 F HN 0.060 nan 8.300 nan 0.000 0.486 1007 Q N -0.291 119.562 119.800 0.089 0.000 2.119 1007 Q HA -0.224 4.114 4.340 -0.003 0.000 0.201 1007 Q C 2.163 178.129 176.000 -0.057 0.000 0.972 1007 Q CA 1.566 57.350 55.803 -0.031 0.000 0.847 1007 Q CB -0.186 28.571 28.738 0.032 0.000 0.903 1007 Q HN 0.194 nan 8.270 nan 0.000 0.433 1008 K N 0.895 121.300 120.400 0.008 0.000 2.002 1008 K HA -0.181 4.138 4.320 -0.003 0.000 0.209 1008 K C 1.604 178.134 176.600 -0.117 0.000 1.048 1008 K CA 1.254 57.520 56.287 -0.034 0.000 0.930 1008 K CB -0.681 31.845 32.500 0.044 0.000 0.714 1008 K HN 0.129 nan 8.250 nan 0.000 0.438 1009 F N 1.806 121.636 119.950 -0.200 0.000 2.027 1009 F HA -0.355 4.170 4.527 -0.003 0.000 0.297 1009 F C 2.042 177.678 175.800 -0.273 0.000 1.129 1009 F CA 2.419 60.272 58.000 -0.246 0.000 1.195 1009 F CB -0.768 38.137 39.000 -0.160 0.000 0.960 1009 F HN 0.210 nan 8.300 nan 0.000 0.485 1010 Q N -0.284 119.328 119.800 -0.313 0.000 2.029 1010 Q HA -0.321 4.017 4.340 -0.003 0.000 0.209 1010 Q C 2.032 177.853 176.000 -0.297 0.000 0.999 1010 Q CA 2.254 57.840 55.803 -0.362 0.000 0.857 1010 Q CB -0.692 27.863 28.738 -0.304 0.000 0.926 1010 Q HN 0.559 nan 8.270 nan 0.000 0.415 1011 D N -0.275 119.992 120.400 -0.222 0.000 2.158 1011 D HA -0.149 4.489 4.640 -0.003 0.000 0.197 1011 D C 1.689 177.854 176.300 -0.225 0.000 0.995 1011 D CA 0.937 54.836 54.000 -0.169 0.000 0.846 1011 D CB 0.104 40.834 40.800 -0.117 0.000 0.941 1011 D HN 0.042 nan 8.370 nan 0.000 0.456 1012 V N -0.378 119.335 119.914 -0.335 0.000 2.307 1012 V HA -0.271 3.848 4.120 -0.003 0.000 0.245 1012 V C 2.758 178.592 176.094 -0.433 0.000 1.045 1012 V CA 1.478 63.540 62.300 -0.397 0.000 1.024 1012 V CB -0.521 30.950 31.823 -0.586 0.000 0.651 1012 V HN 0.444 nan 8.190 nan 0.000 0.449 1013 C N -0.284 118.704 119.300 -0.520 0.000 2.393 1013 C HA -0.158 4.301 4.460 -0.003 0.000 0.276 1013 C C 2.742 177.497 174.990 -0.393 0.000 1.215 1013 C CA 1.246 59.990 59.018 -0.456 0.000 1.743 1013 C CB -0.972 26.598 27.740 -0.285 0.000 2.044 1013 C HN 0.457 nan 8.230 nan 0.000 0.464 1014 V N 0.941 120.718 119.914 -0.229 0.000 2.255 1014 V HA -0.283 3.835 4.120 -0.003 0.000 0.247 1014 V C 2.461 178.475 176.094 -0.134 0.000 1.051 1014 V CA 2.285 64.513 62.300 -0.120 0.000 1.018 1014 V CB -0.800 31.001 31.823 -0.036 0.000 0.641 1014 V HN 0.550 nan 8.190 nan 0.000 0.445 1015 K N 0.006 120.309 120.400 -0.162 0.000 2.074 1015 K HA -0.231 4.087 4.320 -0.003 0.000 0.209 1015 K C 2.211 178.705 176.600 -0.176 0.000 1.048 1015 K CA 1.747 57.946 56.287 -0.145 0.000 0.926 1015 K CB -0.376 32.039 32.500 -0.142 0.000 0.713 1015 K HN 0.471 nan 8.250 nan 0.000 0.444 1016 A N 0.021 122.662 122.820 -0.298 0.000 1.898 1016 A HA -0.180 4.138 4.320 -0.003 0.000 0.216 1016 A C 2.028 179.636 177.584 0.039 0.000 1.181 1016 A CA 1.304 53.130 52.037 -0.351 0.000 0.620 1016 A CB -0.832 17.714 19.000 -0.756 0.000 0.819 1016 A HN 0.519 nan 8.150 nan 0.000 0.442 1017 Y N 0.852 120.972 120.300 -0.301 0.000 2.097 1017 Y HA -0.187 4.361 4.550 -0.003 0.000 0.282 1017 Y C 1.962 177.747 175.900 -0.192 0.000 1.152 1017 Y CA 1.864 59.767 58.100 -0.327 0.000 1.136 1017 Y CB -0.499 37.521 38.460 -0.733 0.000 0.975 1017 Y HN 0.216 nan 8.280 nan 0.000 0.498 1018 L N -0.401 120.652 121.223 -0.284 0.000 2.083 1018 L HA -0.203 4.135 4.340 -0.003 0.000 0.209 1018 L C 2.777 179.335 176.870 -0.520 0.000 1.083 1018 L CA 1.058 55.646 54.840 -0.421 0.000 0.752 1018 L CB -1.122 40.779 42.059 -0.262 0.000 0.899 1018 L HN 0.303 nan 8.230 nan 0.000 0.433 1019 A N 0.595 123.272 122.820 -0.239 0.000 1.883 1019 A HA -0.187 4.131 4.320 -0.003 0.000 0.217 1019 A C 2.268 179.831 177.584 -0.034 0.000 1.186 1019 A CA 1.625 53.620 52.037 -0.068 0.000 0.624 1019 A CB -0.758 18.425 19.000 0.305 0.000 0.822 1019 A HN 0.374 nan 8.150 nan 0.000 0.444 1020 L N -1.121 120.099 121.223 -0.004 0.000 2.083 1020 L HA -0.185 4.153 4.340 -0.003 0.000 0.209 1020 L C 2.767 179.564 176.870 -0.121 0.000 1.083 1020 L CA 1.390 56.202 54.840 -0.048 0.000 0.752 1020 L CB -0.563 41.458 42.059 -0.064 0.000 0.899 1020 L HN 0.359 nan 8.230 nan 0.000 0.433 1021 R N -0.591 119.730 120.500 -0.298 0.000 2.159 1021 R HA -0.183 4.155 4.340 -0.003 0.000 0.237 1021 R C 1.981 178.184 176.300 -0.162 0.000 1.131 1021 R CA 1.361 57.282 56.100 -0.298 0.000 0.982 1021 R CB -0.605 29.434 30.300 -0.436 0.000 0.868 1021 R HN 0.569 nan 8.270 nan 0.000 0.453 1022 H N -1.229 117.724 119.070 -0.195 0.000 2.521 1022 H HA -0.017 4.537 4.556 -0.003 0.000 0.286 1022 H C 0.740 175.809 175.328 -0.432 0.000 1.034 1022 H CA 0.395 56.260 56.048 -0.304 0.000 1.278 1022 H CB 0.231 29.779 29.762 -0.357 0.000 1.386 1022 H HN 0.280 nan 8.280 nan 0.000 0.567 1023 H N -0.679 118.396 119.070 0.009 0.000 2.475 1023 H HA 0.121 4.676 4.556 -0.003 0.000 0.276 1023 H C 1.232 176.523 175.328 -0.061 0.000 1.126 1023 H CA 0.004 56.033 56.048 -0.032 0.000 1.023 1023 H CB 0.559 30.288 29.762 -0.056 0.000 1.669 1023 H HN 0.266 nan 8.280 nan 0.000 0.573 1024 T N 1.199 115.751 114.554 -0.003 0.000 2.592 1024 T HA -0.219 4.130 4.350 -0.003 0.000 0.267 1024 T C 1.943 176.633 174.700 -0.017 0.000 1.060 1024 T CA 1.904 63.979 62.100 -0.042 0.000 1.167 1024 T CB 0.008 68.834 68.868 -0.070 0.000 0.863 1024 T HN 0.397 nan 8.240 nan 0.000 0.431 1025 N N 0.746 119.445 118.700 -0.002 0.000 2.137 1025 N HA -0.021 4.718 4.740 -0.003 0.000 0.190 1025 N C 1.712 177.234 175.510 0.019 0.000 1.017 1025 N CA 0.682 53.738 53.050 0.009 0.000 0.859 1025 N CB -0.487 38.007 38.487 0.013 0.000 1.002 1025 N HN 0.291 nan 8.380 nan 0.000 0.428 1026 L N -0.260 120.981 121.223 0.030 0.000 1.994 1026 L HA -0.144 4.195 4.340 -0.003 0.000 0.208 1026 L C 1.478 178.362 176.870 0.023 0.000 1.071 1026 L CA 1.161 56.013 54.840 0.020 0.000 0.745 1026 L CB -0.255 41.819 42.059 0.025 0.000 0.892 1026 L HN 0.153 nan 8.230 nan 0.000 0.431 1027 L N -0.156 121.074 121.223 0.011 0.000 2.127 1027 L HA -0.259 4.079 4.340 -0.003 0.000 0.211 1027 L C 2.417 179.313 176.870 0.044 0.000 1.089 1027 L CA 1.436 56.280 54.840 0.006 0.000 0.757 1027 L CB -0.961 41.068 42.059 -0.050 0.000 0.899 1027 L HN 0.234 nan 8.230 nan 0.000 0.434 1028 I N -1.119 119.465 120.570 0.023 0.000 2.226 1028 I HA -0.269 3.899 4.170 -0.003 0.000 0.245 1028 I C 2.509 178.693 176.117 0.111 0.000 1.100 1028 I CA 1.360 62.689 61.300 0.049 0.000 1.374 1028 I CB -0.714 37.296 38.000 0.016 0.000 1.057 1028 I HN 0.200 nan 8.210 nan 0.000 0.413 1029 I N 0.470 121.086 120.570 0.077 0.000 2.286 1029 I HA -0.196 3.973 4.170 -0.003 0.000 0.245 1029 I C 2.414 178.583 176.117 0.088 0.000 1.104 1029 I CA 1.274 62.617 61.300 0.072 0.000 1.397 1029 I CB -0.191 37.834 38.000 0.042 0.000 1.072 1029 I HN 0.045 nan 8.210 nan 0.000 0.417 1030 L N -1.165 120.114 121.223 0.092 0.000 2.017 1030 L HA -0.241 4.098 4.340 -0.003 0.000 0.208 1030 L C 2.473 179.408 176.870 0.109 0.000 1.073 1030 L CA 1.479 56.373 54.840 0.090 0.000 0.745 1030 L CB -0.817 41.292 42.059 0.084 0.000 0.894 1030 L HN 0.223 nan 8.230 nan 0.000 0.432 1031 F N 0.963 120.913 119.950 -0.001 0.000 2.126 1031 F HA -0.301 4.225 4.527 -0.003 0.000 0.299 1031 F C 2.913 178.723 175.800 0.016 0.000 1.096 1031 F CA 1.729 59.732 58.000 0.005 0.000 1.255 1031 F CB -0.286 38.722 39.000 0.013 0.000 0.997 1031 F HN 0.154 nan 8.300 nan 0.000 0.479 1032 S N 0.237 116.013 115.700 0.126 0.000 2.368 1032 S HA -0.240 4.229 4.470 -0.003 0.000 0.224 1032 S C 2.082 176.675 174.600 -0.012 0.000 1.029 1032 S CA 1.433 59.653 58.200 0.032 0.000 0.988 1032 S CB -0.674 62.569 63.200 0.072 0.000 0.838 1032 S HN 0.503 nan 8.310 nan 0.000 0.462 1033 M N 0.637 120.260 119.600 0.037 0.000 2.117 1033 M HA -0.028 4.450 4.480 -0.003 0.000 0.262 1033 M C 2.580 178.891 176.300 0.018 0.000 1.065 1033 M CA 1.924 57.290 55.300 0.110 0.000 1.114 1033 M CB -0.544 32.150 32.600 0.157 0.000 1.361 1033 M HN 0.484 nan 8.290 nan 0.000 0.408 1034 M N 0.976 120.532 119.600 -0.073 0.000 2.080 1034 M HA -0.220 4.258 4.480 -0.003 0.000 0.260 1034 M C 1.893 178.083 176.300 -0.184 0.000 1.068 1034 M CA 1.812 57.024 55.300 -0.147 0.000 1.109 1034 M CB -0.132 32.352 32.600 -0.193 0.000 1.342 1034 M HN 0.249 nan 8.290 nan 0.000 0.405 1035 L N -0.436 120.638 121.223 -0.248 0.000 2.201 1035 L HA -0.177 4.161 4.340 -0.003 0.000 0.212 1035 L C 2.436 179.244 176.870 -0.102 0.000 1.105 1035 L CA 0.939 55.648 54.840 -0.218 0.000 0.775 1035 L CB -0.567 41.328 42.059 -0.274 0.000 0.913 1035 L HN 0.472 nan 8.230 nan 0.000 0.440 1036 M N -0.843 118.732 119.600 -0.043 0.000 2.334 1036 M HA -0.063 4.415 4.480 -0.003 0.000 0.266 1036 M C 2.007 178.300 176.300 -0.012 0.000 1.082 1036 M CA 1.780 57.096 55.300 0.027 0.000 1.141 1036 M CB -0.190 32.501 32.600 0.152 0.000 1.380 1036 M HN 0.339 nan 8.290 nan 0.000 0.440 1037 T N -4.190 110.323 114.554 -0.067 0.000 3.044 1037 T HA 0.272 4.620 4.350 -0.003 0.000 0.260 1037 T C 1.239 175.846 174.700 -0.154 0.000 1.019 1037 T CA 0.423 62.427 62.100 -0.160 0.000 0.921 1037 T CB 0.297 69.009 68.868 -0.260 0.000 1.053 1037 T HN 0.361 nan 8.240 nan 0.000 0.533 1038 G N 1.076 109.793 108.800 -0.137 0.000 3.274 1038 G HA2 0.376 4.334 3.960 -0.003 0.000 0.250 1038 G HA3 0.376 4.334 3.960 -0.003 0.000 0.250 1038 G C 0.143 174.959 174.900 -0.140 0.000 1.024 1038 G CA -0.389 44.627 45.100 -0.142 0.000 0.840 1038 G HN 0.341 nan 8.290 nan 0.000 0.522 1039 M N 0.968 120.490 119.600 -0.130 0.000 2.078 1039 M HA 0.361 4.839 4.480 -0.003 0.000 0.320 1039 M C -2.145 174.090 176.300 -0.109 0.000 0.969 1039 M CA -3.068 52.155 55.300 -0.128 0.000 0.929 1039 M CB 1.582 34.114 32.600 -0.113 0.000 1.504 1039 M HN -0.230 nan 8.290 nan 0.000 0.419 1040 P HA -0.228 nan 4.420 nan 0.000 0.219 1040 P C 0.575 177.834 177.300 -0.069 0.000 1.158 1040 P CA 1.678 64.724 63.100 -0.089 0.000 0.895 1040 P CB 0.020 31.672 31.700 -0.080 0.000 0.792 1041 Q N 0.017 119.781 119.800 -0.059 0.000 2.526 1041 Q HA 0.080 4.419 4.340 -0.003 0.000 0.207 1041 Q C 0.050 176.025 176.000 -0.042 0.000 1.078 1041 Q CA 0.052 55.826 55.803 -0.049 0.000 1.041 1041 Q CB -0.217 28.502 28.738 -0.031 0.000 1.228 1041 Q HN 0.188 nan 8.270 nan 0.000 0.603 1042 L N 1.932 123.126 121.223 -0.049 0.000 2.260 1042 L HA 0.277 4.615 4.340 -0.003 0.000 0.289 1042 L C 0.568 177.527 176.870 0.149 0.000 1.057 1042 L CA -0.672 54.184 54.840 0.026 0.000 0.811 1042 L CB 1.166 43.101 42.059 -0.206 0.000 1.184 1042 L HN 0.777 nan 8.230 nan 0.000 0.429 1043 T N -0.079 114.572 114.554 0.161 0.000 2.849 1043 T HA 0.559 4.908 4.350 -0.003 0.000 0.284 1043 T C 0.298 175.110 174.700 0.186 0.000 1.004 1043 T CA -0.674 61.503 62.100 0.127 0.000 1.021 1043 T CB 1.653 70.543 68.868 0.038 0.000 1.013 1043 T HN 0.647 nan 8.240 nan 0.000 0.527 1044 S N -0.059 115.710 115.700 0.114 0.000 2.732 1044 S HA 0.504 4.972 4.470 -0.003 0.000 0.293 1044 S C 0.621 175.242 174.600 0.035 0.000 1.159 1044 S CA -1.189 57.048 58.200 0.063 0.000 0.847 1044 S CB 1.722 64.994 63.200 0.121 0.000 1.169 1044 S HN 0.639 nan 8.310 nan 0.000 0.501 1045 K N 1.052 121.455 120.400 0.005 0.000 2.009 1045 K HA -0.113 4.205 4.320 -0.003 0.000 0.210 1045 K C 1.809 178.450 176.600 0.067 0.000 1.049 1045 K CA 2.085 58.384 56.287 0.020 0.000 0.929 1045 K CB -0.547 31.953 32.500 0.001 0.000 0.714 1045 K HN 0.687 nan 8.250 nan 0.000 0.440 1046 E N 1.127 121.372 120.200 0.074 0.000 2.108 1046 E HA -0.240 4.108 4.350 -0.003 0.000 0.203 1046 E C 1.733 178.419 176.600 0.145 0.000 1.022 1046 E CA 1.853 58.313 56.400 0.101 0.000 0.823 1046 E CB -0.291 29.465 29.700 0.094 0.000 0.744 1046 E HN 0.298 nan 8.360 nan 0.000 0.456 1047 D N 0.175 120.660 120.400 0.142 0.000 2.092 1047 D HA -0.156 4.482 4.640 -0.003 0.000 0.193 1047 D C 1.993 178.476 176.300 0.305 0.000 0.994 1047 D CA 1.088 55.200 54.000 0.187 0.000 0.828 1047 D CB -0.127 40.745 40.800 0.120 0.000 0.963 1047 D HN 0.136 nan 8.370 nan 0.000 0.450 1048 I N 1.584 122.300 120.570 0.243 0.000 2.127 1048 I HA -0.216 3.952 4.170 -0.003 0.000 0.241 1048 I C 2.196 178.466 176.117 0.254 0.000 1.075 1048 I CA 1.173 62.659 61.300 0.311 0.000 1.334 1048 I CB -1.428 36.673 38.000 0.169 0.000 1.040 1048 I HN 0.077 nan 8.210 nan 0.000 0.405 1049 E N -0.020 120.274 120.200 0.157 0.000 2.273 1049 E HA -0.274 4.075 4.350 -0.003 0.000 0.198 1049 E C 2.082 178.714 176.600 0.054 0.000 1.002 1049 E CA 1.132 57.582 56.400 0.083 0.000 0.828 1049 E CB -0.443 29.299 29.700 0.070 0.000 0.747 1049 E HN 0.565 nan 8.360 nan 0.000 0.491 1050 Y N 1.492 121.812 120.300 0.034 0.000 2.081 1050 Y HA -0.287 4.262 4.550 -0.003 0.000 0.280 1050 Y C 2.146 177.954 175.900 -0.152 0.000 1.163 1050 Y CA 1.774 59.864 58.100 -0.016 0.000 1.135 1050 Y CB -0.402 38.080 38.460 0.037 0.000 0.970 1050 Y HN 0.016 nan 8.280 nan 0.000 0.498 1051 I N 0.244 120.572 120.570 -0.402 0.000 2.248 1051 I HA -0.380 3.788 4.170 -0.003 0.000 0.248 1051 I C 2.757 178.593 176.117 -0.469 0.000 1.107 1051 I CA 1.886 62.786 61.300 -0.666 0.000 1.373 1051 I CB -0.356 37.073 38.000 -0.951 0.000 1.055 1051 I HN 0.333 nan 8.210 nan 0.000 0.418 1052 R N 0.702 121.027 120.500 -0.291 0.000 2.073 1052 R HA -0.207 4.132 4.340 -0.003 0.000 0.234 1052 R C 1.947 178.112 176.300 -0.226 0.000 1.134 1052 R CA 2.216 58.197 56.100 -0.198 0.000 0.952 1052 R CB -0.288 29.950 30.300 -0.103 0.000 0.850 1052 R HN 0.427 nan 8.270 nan 0.000 0.433 1053 D N 0.338 120.584 120.400 -0.257 0.000 2.097 1053 D HA -0.148 4.491 4.640 -0.003 0.000 0.195 1053 D C 1.818 177.945 176.300 -0.288 0.000 0.989 1053 D CA 1.520 55.388 54.000 -0.221 0.000 0.827 1053 D CB -0.329 40.380 40.800 -0.153 0.000 0.966 1053 D HN 0.414 nan 8.370 nan 0.000 0.456 1054 A N 1.099 123.624 122.820 -0.492 0.000 1.917 1054 A HA -0.154 4.165 4.320 -0.003 0.000 0.219 1054 A C 2.307 179.834 177.584 -0.095 0.000 1.182 1054 A CA 1.057 52.824 52.037 -0.450 0.000 0.633 1054 A CB -0.805 17.603 19.000 -0.987 0.000 0.819 1054 A HN 0.233 nan 8.150 nan 0.000 0.448 1055 L N 0.225 121.340 121.223 -0.180 0.000 2.599 1055 L HA -0.009 4.330 4.340 -0.003 0.000 0.230 1055 L C 1.131 177.903 176.870 -0.164 0.000 1.141 1055 L CA 0.729 55.494 54.840 -0.125 0.000 0.877 1055 L CB -0.738 41.209 42.059 -0.187 0.000 1.009 1055 L HN 0.719 nan 8.230 nan 0.000 0.447 1056 T N -2.576 111.847 114.554 -0.218 0.000 3.803 1056 T HA -0.168 4.181 4.350 -0.003 0.000 0.376 1056 T C 0.078 174.687 174.700 -0.152 0.000 0.761 1056 T CA -0.101 61.851 62.100 -0.246 0.000 1.962 1056 T CB -2.996 65.684 68.868 -0.313 0.000 1.780 1056 T HN -0.018 nan 8.240 nan 0.000 0.771 1057 V N 1.381 121.217 119.914 -0.130 0.000 2.763 1057 V HA 0.474 4.592 4.120 -0.003 0.000 0.306 1057 V C 2.171 178.227 176.094 -0.064 0.000 1.059 1057 V CA 1.259 63.503 62.300 -0.093 0.000 1.138 1057 V CB 0.415 32.190 31.823 -0.079 0.000 0.940 1057 V HN 1.786 nan 8.190 nan 0.000 0.489 1058 G N 3.611 112.382 108.800 -0.048 0.000 2.299 1058 G HA2 -0.236 3.722 3.960 -0.003 0.000 0.237 1058 G HA3 -0.236 3.722 3.960 -0.003 0.000 0.237 1058 G C 0.338 175.225 174.900 -0.023 0.000 1.027 1058 G CA 0.300 45.383 45.100 -0.029 0.000 0.619 1058 G HN 0.632 nan 8.290 nan 0.000 0.513 1059 K N 1.720 122.100 120.400 -0.032 0.000 2.149 1059 K HA 0.612 4.930 4.320 -0.003 0.000 0.245 1059 K C 1.102 177.696 176.600 -0.011 0.000 1.024 1059 K CA 0.462 56.740 56.287 -0.016 0.000 0.899 1059 K CB 0.659 33.147 32.500 -0.020 0.000 1.038 1059 K HN 0.621 nan 8.250 nan 0.000 0.496 1060 S N -0.453 115.252 115.700 0.008 0.000 2.672 1060 S HA 0.228 4.696 4.470 -0.003 0.000 0.276 1060 S C 0.746 175.355 174.600 0.016 0.000 1.207 1060 S CA -0.644 57.562 58.200 0.011 0.000 1.002 1060 S CB 1.209 64.421 63.200 0.020 0.000 0.998 1060 S HN 0.529 nan 8.310 nan 0.000 0.542 1061 E N 0.606 120.813 120.200 0.013 0.000 2.085 1061 E HA -0.186 4.163 4.350 -0.003 0.000 0.194 1061 E C 1.691 178.318 176.600 0.045 0.000 0.994 1061 E CA 1.287 57.695 56.400 0.013 0.000 0.801 1061 E CB -0.091 29.619 29.700 0.017 0.000 0.743 1061 E HN 0.629 nan 8.360 nan 0.000 0.453 1062 E N 1.053 121.281 120.200 0.047 0.000 2.005 1062 E HA -0.211 4.137 4.350 -0.003 0.000 0.198 1062 E C 1.908 178.562 176.600 0.090 0.000 1.010 1062 E CA 0.914 57.351 56.400 0.061 0.000 0.825 1062 E CB -0.535 29.194 29.700 0.048 0.000 0.769 1062 E HN 0.225 nan 8.360 nan 0.000 0.456 1063 D N 0.214 120.665 120.400 0.085 0.000 2.157 1063 D HA -0.212 4.427 4.640 -0.003 0.000 0.191 1063 D C 1.748 178.155 176.300 0.179 0.000 1.004 1063 D CA 1.721 55.791 54.000 0.116 0.000 0.854 1063 D CB -0.002 40.853 40.800 0.091 0.000 0.936 1063 D HN 0.144 nan 8.370 nan 0.000 0.446 1064 A N 1.176 124.090 122.820 0.156 0.000 1.841 1064 A HA -0.235 4.084 4.320 -0.003 0.000 0.216 1064 A C 2.184 179.989 177.584 0.369 0.000 1.199 1064 A CA 2.443 54.630 52.037 0.249 0.000 0.621 1064 A CB -0.804 18.264 19.000 0.114 0.000 0.835 1064 A HN 0.312 nan 8.150 nan 0.000 0.445 1065 K N -0.143 120.405 120.400 0.248 0.000 2.097 1065 K HA -0.313 4.006 4.320 -0.003 0.000 0.214 1065 K C 2.010 178.748 176.600 0.231 0.000 1.052 1065 K CA 2.330 58.753 56.287 0.227 0.000 0.932 1065 K CB -0.217 32.357 32.500 0.124 0.000 0.716 1065 K HN 0.471 nan 8.250 nan 0.000 0.455 1066 K N -0.477 120.039 120.400 0.194 0.000 2.001 1066 K HA -0.187 4.131 4.320 -0.003 0.000 0.208 1066 K C 2.065 178.772 176.600 0.178 0.000 1.048 1066 K CA 1.702 58.080 56.287 0.153 0.000 0.932 1066 K CB -0.572 32.001 32.500 0.122 0.000 0.715 1066 K HN 0.217 nan 8.250 nan 0.000 0.437 1067 Y N 0.322 120.689 120.300 0.112 0.000 2.173 1067 Y HA -0.320 4.228 4.550 -0.003 0.000 0.282 1067 Y C 1.902 177.816 175.900 0.023 0.000 1.192 1067 Y CA 1.590 59.746 58.100 0.093 0.000 1.176 1067 Y CB -0.240 38.323 38.460 0.171 0.000 0.969 1067 Y HN 0.080 nan 8.280 nan 0.000 0.519 1068 F N -0.567 119.419 119.950 0.060 0.000 2.270 1068 F HA -0.050 4.475 4.527 -0.003 0.000 0.295 1068 F C 1.862 177.575 175.800 -0.145 0.000 1.087 1068 F CA 1.068 58.942 58.000 -0.210 0.000 1.365 1068 F CB -0.352 38.380 39.000 -0.446 0.000 1.056 1068 F HN -0.024 nan 8.300 nan 0.000 0.506 1069 L N -0.197 121.032 121.223 0.011 0.000 2.275 1069 L HA -0.186 4.152 4.340 -0.003 0.000 0.215 1069 L C 1.672 178.477 176.870 -0.109 0.000 1.119 1069 L CA 0.955 55.774 54.840 -0.035 0.000 0.790 1069 L CB -0.590 41.490 42.059 0.035 0.000 0.919 1069 L HN 0.048 nan 8.230 nan 0.000 0.443 1070 D N -0.907 119.395 120.400 -0.164 0.000 2.162 1070 D HA -0.122 4.517 4.640 -0.003 0.000 0.203 1070 D C 2.338 178.454 176.300 -0.307 0.000 0.967 1070 D CA 0.659 54.539 54.000 -0.200 0.000 0.840 1070 D CB -0.025 40.644 40.800 -0.218 0.000 0.972 1070 D HN 0.207 nan 8.370 nan 0.000 0.482 1071 Q N 0.416 119.933 119.800 -0.471 0.000 2.084 1071 Q HA -0.053 4.286 4.340 -0.003 0.000 0.202 1071 Q C 2.510 178.167 176.000 -0.572 0.000 0.978 1071 Q CA 0.609 56.033 55.803 -0.632 0.000 0.844 1071 Q CB -0.237 27.946 28.738 -0.925 0.000 0.898 1071 Q HN 0.428 nan 8.270 nan 0.000 0.426 1072 I N 0.671 121.012 120.570 -0.382 0.000 2.361 1072 I HA -0.244 3.924 4.170 -0.003 0.000 0.251 1072 I C 2.260 178.341 176.117 -0.060 0.000 1.133 1072 I CA 0.926 62.172 61.300 -0.090 0.000 1.413 1072 I CB -0.150 37.890 38.000 0.067 0.000 1.073 1072 I HN 0.126 nan 8.210 nan 0.000 0.424 1073 E N 0.975 121.114 120.200 -0.101 0.000 2.047 1073 E HA -0.139 4.209 4.350 -0.003 0.000 0.191 1073 E C 2.211 178.742 176.600 -0.115 0.000 0.987 1073 E CA 1.190 57.551 56.400 -0.065 0.000 0.799 1073 E CB -0.228 29.433 29.700 -0.065 0.000 0.752 1073 E HN 0.236 nan 8.360 nan 0.000 0.449 1074 V N 0.248 120.052 119.914 -0.183 0.000 2.317 1074 V HA -0.416 3.703 4.120 -0.003 0.000 0.251 1074 V C 2.524 178.511 176.094 -0.177 0.000 1.065 1074 V CA 1.981 64.171 62.300 -0.183 0.000 1.049 1074 V CB -0.942 30.738 31.823 -0.238 0.000 0.651 1074 V HN 0.424 nan 8.190 nan 0.000 0.450 1075 C N -0.175 118.991 119.300 -0.223 0.000 2.413 1075 C HA -0.131 4.328 4.460 -0.003 0.000 0.277 1075 C C 2.865 177.767 174.990 -0.147 0.000 1.265 1075 C CA 0.790 59.691 59.018 -0.194 0.000 1.752 1075 C CB -1.286 26.346 27.740 -0.181 0.000 1.998 1075 C HN 0.504 nan 8.230 nan 0.000 0.489 1076 R N 0.866 121.300 120.500 -0.111 0.000 2.115 1076 R HA -0.062 4.276 4.340 -0.003 0.000 0.226 1076 R C 1.249 177.489 176.300 -0.100 0.000 1.100 1076 R CA 1.065 57.100 56.100 -0.109 0.000 0.980 1076 R CB -0.470 29.781 30.300 -0.082 0.000 0.875 1076 R HN 0.624 nan 8.270 nan 0.000 0.445 1077 D N 0.310 120.656 120.400 -0.089 0.000 2.355 1077 D HA -0.039 4.600 4.640 -0.003 0.000 0.218 1077 D C 1.259 177.520 176.300 -0.066 0.000 1.004 1077 D CA 0.772 54.730 54.000 -0.070 0.000 0.880 1077 D CB 0.276 41.037 40.800 -0.064 0.000 0.911 1077 D HN 0.008 nan 8.370 nan 0.000 0.528 1078 K N 0.126 120.476 120.400 -0.083 0.000 2.354 1078 K HA 0.205 4.524 4.320 -0.003 0.000 0.194 1078 K C 1.262 177.825 176.600 -0.062 0.000 1.045 1078 K CA 0.429 56.680 56.287 -0.061 0.000 1.026 1078 K CB 0.509 32.970 32.500 -0.065 0.000 0.866 1078 K HN 0.087 nan 8.250 nan 0.000 0.530 1079 G N 0.877 109.599 108.800 -0.130 0.000 2.684 1079 G HA2 -0.346 3.612 3.960 -0.003 0.000 0.332 1079 G HA3 -0.346 3.612 3.960 -0.003 0.000 0.332 1079 G C 0.528 175.289 174.900 -0.233 0.000 1.306 1079 G CA 0.849 45.818 45.100 -0.219 0.000 1.002 1079 G HN 0.474 nan 8.290 nan 0.000 0.545 1080 W N 1.504 122.841 121.300 0.061 0.000 3.256 1080 W HA 0.335 4.994 4.660 -0.003 0.000 0.269 1080 W C 2.680 179.303 176.519 0.174 0.000 1.310 1080 W CA 0.502 57.941 57.345 0.156 0.000 1.673 1080 W CB -0.248 29.332 29.460 0.201 0.000 1.115 1080 W HN 0.525 nan 8.180 nan 0.000 0.686 1081 T N 1.030 115.735 114.554 0.252 0.000 2.544 1081 T HA -0.301 4.048 4.350 -0.003 0.000 0.264 1081 T C 1.922 176.779 174.700 0.262 0.000 1.096 1081 T CA 2.383 64.604 62.100 0.202 0.000 1.181 1081 T CB -0.909 68.017 68.868 0.096 0.000 0.864 1081 T HN -0.070 nan 8.240 nan 0.000 0.415 1082 V N 1.880 121.918 119.914 0.208 0.000 2.250 1082 V HA -0.253 3.865 4.120 -0.003 0.000 0.250 1082 V C 2.846 179.184 176.094 0.408 0.000 1.060 1082 V CA 1.822 64.253 62.300 0.220 0.000 1.030 1082 V CB -0.840 31.119 31.823 0.227 0.000 0.643 1082 V HN 0.433 nan 8.190 nan 0.000 0.445 1083 Q N -0.885 119.251 119.800 0.559 0.000 2.077 1083 Q HA -0.250 4.088 4.340 -0.003 0.000 0.206 1083 Q C 2.141 178.627 176.000 0.809 0.000 0.989 1083 Q CA 2.158 58.425 55.803 0.773 0.000 0.853 1083 Q CB -0.749 28.495 28.738 0.843 0.000 0.907 1083 Q HN 0.668 nan 8.270 nan 0.000 0.418 1084 F N 2.078 122.313 119.950 0.476 0.000 2.161 1084 F HA -0.226 4.300 4.527 -0.003 0.000 0.300 1084 F C 1.685 177.610 175.800 0.209 0.000 1.089 1084 F CA 1.457 59.567 58.000 0.183 0.000 1.282 1084 F CB -0.244 38.752 39.000 -0.007 0.000 1.010 1084 F HN 0.118 nan 8.300 nan 0.000 0.485 1085 N N -0.814 118.006 118.700 0.201 0.000 2.142 1085 N HA -0.185 4.553 4.740 -0.003 0.000 0.186 1085 N C 1.612 177.124 175.510 0.003 0.000 1.023 1085 N CA 1.785 54.828 53.050 -0.012 0.000 0.852 1085 N CB -0.723 37.703 38.487 -0.101 0.000 0.998 1085 N HN 0.412 nan 8.380 nan 0.000 0.424 1086 W N -0.018 121.395 121.300 0.188 0.000 2.358 1086 W HA -0.088 4.571 4.660 -0.002 0.000 0.303 1086 W C 1.939 178.450 176.519 -0.013 0.000 1.208 1086 W CA 0.308 57.719 57.345 0.110 0.000 1.274 1086 W CB -0.510 29.109 29.460 0.264 0.000 1.138 1086 W HN 0.022 nan 8.180 nan 0.000 0.515 1087 F N 0.554 120.655 119.950 0.251 0.000 2.134 1087 F HA -0.203 4.322 4.527 -0.003 0.000 0.299 1087 F C 2.023 177.771 175.800 -0.088 0.000 1.097 1087 F CA 1.720 59.787 58.000 0.112 0.000 1.264 1087 F CB -0.751 38.337 39.000 0.148 0.000 1.001 1087 F HN -0.248 nan 8.300 nan 0.000 0.479 1088 L N -0.906 120.392 121.223 0.126 0.000 2.093 1088 L HA -0.234 4.105 4.340 -0.003 0.000 0.208 1088 L C 2.578 179.467 176.870 0.032 0.000 1.085 1088 L CA 1.810 56.641 54.840 -0.015 0.000 0.755 1088 L CB -0.993 40.934 42.059 -0.219 0.000 0.904 1088 L HN 0.319 nan 8.230 nan 0.000 0.435 1089 H N -0.422 118.600 119.070 -0.079 0.000 2.260 1089 H HA -0.139 4.415 4.556 -0.003 0.000 0.304 1089 H C 2.256 177.545 175.328 -0.064 0.000 1.059 1089 H CA 1.040 57.043 56.048 -0.075 0.000 1.305 1089 H CB 0.337 30.039 29.762 -0.100 0.000 1.388 1089 H HN 0.022 nan 8.280 nan 0.000 0.496 1090 L N 0.514 121.687 121.223 -0.083 0.000 1.976 1090 L HA -0.157 4.181 4.340 -0.003 0.000 0.209 1090 L C 2.776 179.516 176.870 -0.216 0.000 1.071 1090 L CA 1.056 55.751 54.840 -0.242 0.000 0.746 1090 L CB -1.022 40.795 42.059 -0.404 0.000 0.890 1090 L HN 0.256 nan 8.230 nan 0.000 0.432 1091 V N -0.701 119.016 119.914 -0.328 0.000 2.427 1091 V HA -0.213 3.905 4.120 -0.003 0.000 0.248 1091 V C 2.264 178.235 176.094 -0.204 0.000 1.051 1091 V CA 1.384 63.447 62.300 -0.395 0.000 1.048 1091 V CB -0.377 30.884 31.823 -0.937 0.000 0.666 1091 V HN 0.349 nan 8.190 nan 0.000 0.456 1092 L N -0.380 120.778 121.223 -0.108 0.000 2.463 1092 L HA 0.385 4.723 4.340 -0.003 0.000 0.219 1092 L C 1.807 178.682 176.870 0.008 0.000 1.088 1092 L CA 0.887 55.718 54.840 -0.015 0.000 0.849 1092 L CB -0.284 41.792 42.059 0.028 0.000 1.012 1092 L HN 0.520 nan 8.230 nan 0.000 0.468 1093 G N 0.684 109.500 108.800 0.026 0.000 2.141 1093 G HA2 -0.221 3.737 3.960 -0.003 0.000 0.242 1093 G HA3 -0.221 3.737 3.960 -0.003 0.000 0.242 1093 G C 0.394 175.320 174.900 0.043 0.000 0.982 1093 G CA -0.201 44.932 45.100 0.055 0.000 0.662 1093 G HN 0.099 nan 8.290 nan 0.000 0.527 1094 I N 0.000 120.582 120.570 0.020 0.000 2.984 1094 I HA 0.000 4.168 4.170 -0.003 0.000 0.288 1094 I CA 0.000 61.279 61.300 -0.035 0.000 1.566 1094 I CB 0.000 37.972 38.000 -0.047 0.000 1.214 1094 I HN 0.000 nan 8.210 nan 0.000 0.494