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 2pkg_1_A DATA FIRST_RESID 10 DATA SEQUENCE LYPIAVLIDE LRNEDVQLRL NSIKKLSTIA LALGVERTRS ELLPFLTDTI DATA SEQUENCE YDEDEVLLAL AEQLGTFTTL VGGPEYVHCL LPPLESLATV EETVVRDKAV DATA SEQUENCE ESLRAISHEH SPSDLEAHFV PLVKRLAGGD WFTSRTSACG LFSVCYPRVS DATA SEQUENCE SAVKAELRQY FRNLCSDDTP MVRRAAASKL GEFAKVLELD NVKSEIIPMF DATA SEQUENCE SNLASDEQDS VRLLAVEACV NIAQLLPQED LEALVMPTLR QAAEDKSWRV DATA SEQUENCE RYMVADKFTE LQKAVGPEIT KTDLVPAFQN LMKDCEAEVR AAASHKVKEF DATA SEQUENCE CENLSADCRE NVIMSQILPC IKELVSDANQ HVKSALASVI MGLSPILGKD DATA SEQUENCE NTIEHLLPLF LAQLKDECPE VRLNIISNLD CVNEVIGIRQ LSQSLLPAIV DATA SEQUENCE ELAEDAKWRV RLAIIEYMPL LAGQLGVEFF DEKLNSLCMA WLVDHVYAIR DATA SEQUENCE EAATSNLKKL VEKFGKEWAH ATIIPKVLAM SGDPNYLHRM TTLFCINVLS DATA SEQUENCE EVCGQDITTK HMLPTVLRMA GDPVANVRFN VAKSLQKIGP ILDNSTLQSE DATA SEQUENCE VKPILEKLTQ DQDVDVKYFA QEALTVLSL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 10 L HA 0.000 nan 4.340 nan 0.000 0.249 10 L C 0.000 176.927 176.870 0.095 0.000 1.165 10 L CA 0.000 54.855 54.840 0.026 0.000 0.813 10 L CB 0.000 42.061 42.059 0.004 0.000 0.961 11 Y N 1.696 121.962 120.300 -0.056 0.000 3.208 11 Y HA 0.345 4.952 4.550 0.095 0.000 0.205 11 Y C -1.932 173.932 175.900 -0.058 0.000 0.923 11 Y CA 0.216 58.287 58.100 -0.049 0.000 1.596 11 Y CB -0.621 37.815 38.460 -0.040 0.000 1.478 11 Y HN 0.113 nan 8.280 nan 0.000 0.409 12 P HA 0.177 nan 4.420 nan 0.000 0.254 12 P C 0.547 177.652 177.300 -0.325 0.000 1.494 12 P CA 0.524 63.292 63.100 -0.552 0.000 0.961 12 P CB 0.330 31.746 31.700 -0.474 0.000 1.493 13 I N -0.242 120.167 120.570 -0.269 0.000 3.684 13 I HA 0.192 4.420 4.170 0.096 0.000 0.304 13 I C 1.438 177.373 176.117 -0.303 0.000 1.278 13 I CA 0.107 61.213 61.300 -0.323 0.000 1.272 13 I CB -0.248 37.607 38.000 -0.241 0.000 1.029 13 I HN -0.017 nan 8.210 nan 0.000 0.458 14 A N -1.760 120.924 122.820 -0.227 0.000 2.653 14 A HA 0.363 4.741 4.320 0.096 0.000 0.248 14 A C 1.446 178.939 177.584 -0.150 0.000 1.211 14 A CA 0.216 52.158 52.037 -0.158 0.000 0.991 14 A CB 0.066 19.005 19.000 -0.103 0.000 1.252 14 A HN 0.093 nan 8.150 nan 0.000 0.593 15 V N -0.606 119.182 119.914 -0.211 0.000 2.908 15 V HA 0.019 4.196 4.120 0.096 0.000 0.240 15 V C 2.099 178.098 176.094 -0.160 0.000 1.117 15 V CA 1.277 63.456 62.300 -0.202 0.000 1.133 15 V CB 0.027 31.648 31.823 -0.335 0.000 0.857 15 V HN 0.501 nan 8.190 nan 0.000 0.478 16 L N 0.373 121.487 121.223 -0.182 0.000 2.141 16 L HA 0.019 4.417 4.340 0.096 0.000 0.209 16 L C 2.065 178.904 176.870 -0.052 0.000 1.094 16 L CA 1.752 56.527 54.840 -0.108 0.000 0.763 16 L CB -0.557 41.438 42.059 -0.107 0.000 0.908 16 L HN 0.218 nan 8.230 nan 0.000 0.437 17 I N -0.125 120.391 120.570 -0.089 0.000 2.208 17 I HA -0.287 3.940 4.170 0.096 0.000 0.245 17 I C 1.837 177.967 176.117 0.022 0.000 1.097 17 I CA 1.526 62.830 61.300 0.006 0.000 1.363 17 I CB -0.442 37.534 38.000 -0.040 0.000 1.051 17 I HN 0.338 nan 8.210 nan 0.000 0.413 18 D N 0.458 120.848 120.400 -0.017 0.000 2.224 18 D HA -0.130 4.567 4.640 0.096 0.000 0.205 18 D C 1.927 178.225 176.300 -0.004 0.000 0.965 18 D CA 0.951 54.946 54.000 -0.007 0.000 0.852 18 D CB -0.065 40.722 40.800 -0.022 0.000 0.947 18 D HN 0.474 nan 8.370 nan 0.000 0.494 19 E N 0.215 120.407 120.200 -0.014 0.000 2.208 19 E HA -0.032 4.375 4.350 0.096 0.000 0.193 19 E C 2.131 178.732 176.600 0.003 0.000 0.988 19 E CA 0.363 56.757 56.400 -0.010 0.000 0.828 19 E CB 0.253 29.941 29.700 -0.021 0.000 0.763 19 E HN 0.271 nan 8.360 nan 0.000 0.478 20 L N 0.458 121.693 121.223 0.020 0.000 2.116 20 L HA 0.002 4.400 4.340 0.096 0.000 0.200 20 L C 2.576 179.453 176.870 0.012 0.000 1.084 20 L CA 0.739 55.590 54.840 0.019 0.000 0.766 20 L CB -0.523 41.574 42.059 0.064 0.000 0.930 20 L HN 0.039 nan 8.230 nan 0.000 0.453 21 R N 0.778 121.302 120.500 0.040 0.000 2.276 21 R HA -0.182 4.216 4.340 0.096 0.000 0.243 21 R C 0.890 177.210 176.300 0.033 0.000 1.161 21 R CA 0.610 56.740 56.100 0.050 0.000 1.007 21 R CB -1.084 29.254 30.300 0.063 0.000 0.867 21 R HN 0.312 nan 8.270 nan 0.000 0.472 22 N N 1.913 120.624 118.700 0.019 0.000 1.807 22 N HA -0.173 4.624 4.740 0.096 0.000 0.325 22 N C 0.018 175.537 175.510 0.015 0.000 1.287 22 N CA 0.804 53.861 53.050 0.012 0.000 0.790 22 N CB 0.592 39.081 38.487 0.003 0.000 1.020 22 N HN 0.346 nan 8.380 nan 0.000 0.505 23 E N 1.881 122.091 120.200 0.016 0.000 2.136 23 E HA -0.202 4.206 4.350 0.096 0.000 0.202 23 E C 0.088 176.698 176.600 0.016 0.000 1.019 23 E CA 1.583 57.993 56.400 0.018 0.000 0.819 23 E CB -0.095 29.614 29.700 0.015 0.000 0.739 23 E HN 0.709 nan 8.360 nan 0.000 0.458 24 D N -2.106 118.300 120.400 0.010 0.000 2.268 24 D HA 0.150 4.848 4.640 0.096 0.000 0.249 24 D C 0.701 177.003 176.300 0.003 0.000 1.008 24 D CA -0.339 53.665 54.000 0.008 0.000 0.939 24 D CB 1.635 42.438 40.800 0.005 0.000 1.170 24 D HN -0.199 nan 8.370 nan 0.000 0.468 25 V N 1.686 121.601 119.914 0.001 0.000 2.725 25 V HA -0.074 4.103 4.120 0.096 0.000 0.247 25 V C 2.077 178.165 176.094 -0.010 0.000 1.058 25 V CA 0.801 63.096 62.300 -0.008 0.000 1.080 25 V CB -0.586 31.234 31.823 -0.006 0.000 0.713 25 V HN 0.571 nan 8.190 nan 0.000 0.465 26 Q N 0.321 120.119 119.800 -0.004 0.000 2.297 26 Q HA -0.168 4.229 4.340 0.096 0.000 0.208 26 Q C 1.628 177.625 176.000 -0.004 0.000 0.981 26 Q CA 1.724 57.525 55.803 -0.004 0.000 0.876 26 Q CB -0.272 28.466 28.738 -0.000 0.000 0.921 26 Q HN 0.541 nan 8.270 nan 0.000 0.446 27 L N -0.967 120.253 121.223 -0.005 0.000 2.477 27 L HA 0.157 4.554 4.340 0.096 0.000 0.220 27 L C 1.757 178.622 176.870 -0.007 0.000 1.106 27 L CA 0.774 55.612 54.840 -0.004 0.000 0.851 27 L CB -0.127 41.931 42.059 -0.002 0.000 0.994 27 L HN 0.031 nan 8.230 nan 0.000 0.462 28 R N -0.454 120.038 120.500 -0.014 0.000 2.316 28 R HA -0.009 4.388 4.340 0.096 0.000 0.202 28 R C 1.993 178.281 176.300 -0.021 0.000 1.029 28 R CA 0.582 56.670 56.100 -0.021 0.000 1.018 28 R CB -0.104 30.172 30.300 -0.040 0.000 0.888 28 R HN 0.350 nan 8.270 nan 0.000 0.471 29 L N 0.511 121.725 121.223 -0.015 0.000 2.084 29 L HA -0.012 4.385 4.340 0.096 0.000 0.202 29 L C 1.412 178.279 176.870 -0.004 0.000 1.074 29 L CA 1.111 55.944 54.840 -0.011 0.000 0.757 29 L CB -0.096 41.958 42.059 -0.009 0.000 0.918 29 L HN 0.101 nan 8.230 nan 0.000 0.444 30 N N -0.470 118.229 118.700 -0.001 0.000 2.609 30 N HA -0.146 4.652 4.740 0.096 0.000 0.190 30 N C 1.621 177.135 175.510 0.006 0.000 1.157 30 N CA 1.132 54.184 53.050 0.004 0.000 0.918 30 N CB 0.234 38.723 38.487 0.003 0.000 0.978 30 N HN 0.359 nan 8.380 nan 0.000 0.448 31 S N 0.195 115.897 115.700 0.004 0.000 2.452 31 S HA 0.157 4.684 4.470 0.096 0.000 0.225 31 S C 1.769 176.379 174.600 0.017 0.000 1.057 31 S CA -0.153 58.052 58.200 0.008 0.000 0.949 31 S CB 0.266 63.468 63.200 0.004 0.000 0.836 31 S HN 0.003 nan 8.310 nan 0.000 0.518 32 I N 2.116 122.691 120.570 0.009 0.000 2.353 32 I HA 0.026 4.253 4.170 0.096 0.000 0.248 32 I C 2.349 178.477 176.117 0.019 0.000 1.119 32 I CA 1.021 62.327 61.300 0.010 0.000 1.417 32 I CB -1.071 36.920 38.000 -0.015 0.000 1.078 32 I HN 0.267 nan 8.210 nan 0.000 0.421 33 K N 1.145 121.553 120.400 0.013 0.000 2.218 33 K HA -0.190 4.187 4.320 0.096 0.000 0.205 33 K C 1.531 178.153 176.600 0.037 0.000 1.046 33 K CA 1.093 57.392 56.287 0.020 0.000 0.933 33 K CB -0.177 32.332 32.500 0.014 0.000 0.728 33 K HN 0.265 nan 8.250 nan 0.000 0.454 34 K N 1.017 121.440 120.400 0.039 0.000 2.699 34 K HA 0.067 4.445 4.320 0.096 0.000 0.210 34 K C 0.240 176.881 176.600 0.069 0.000 1.076 34 K CA -0.094 56.223 56.287 0.049 0.000 1.109 34 K CB 0.154 32.673 32.500 0.033 0.000 0.862 34 K HN -0.130 nan 8.250 nan 0.000 0.470 35 L N 1.211 122.491 121.223 0.096 0.000 2.779 35 L HA 0.142 4.540 4.340 0.096 0.000 0.239 35 L C 0.646 177.674 176.870 0.263 0.000 1.245 35 L CA 0.485 55.411 54.840 0.144 0.000 1.064 35 L CB -0.163 41.966 42.059 0.117 0.000 1.350 35 L HN 0.246 nan 8.230 nan 0.000 0.455 36 S N -4.274 111.533 115.700 0.178 0.000 2.619 36 S HA 0.009 4.536 4.470 0.096 0.000 0.238 36 S C 1.502 176.110 174.600 0.014 0.000 1.068 36 S CA 0.349 58.623 58.200 0.122 0.000 0.926 36 S CB -0.282 62.992 63.200 0.123 0.000 0.864 36 S HN 0.471 nan 8.310 nan 0.000 0.493 37 T N -0.244 114.331 114.554 0.035 0.000 3.113 37 T HA 0.311 4.719 4.350 0.096 0.000 0.256 37 T C 1.270 175.985 174.700 0.025 0.000 1.131 37 T CA 0.273 62.383 62.100 0.017 0.000 1.074 37 T CB -0.408 68.474 68.868 0.024 0.000 0.944 37 T HN 0.245 nan 8.240 nan 0.000 0.516 38 I N 1.230 121.824 120.570 0.040 0.000 3.265 38 I HA 0.405 4.632 4.170 0.096 0.000 0.282 38 I C 2.641 178.776 176.117 0.030 0.000 1.207 38 I CA 0.210 61.539 61.300 0.048 0.000 1.449 38 I CB -0.449 37.588 38.000 0.062 0.000 1.121 38 I HN 0.304 nan 8.210 nan 0.000 0.442 39 A N -0.019 122.798 122.820 -0.005 0.000 2.021 39 A HA 0.007 4.384 4.320 0.096 0.000 0.216 39 A C 2.131 179.646 177.584 -0.114 0.000 1.163 39 A CA 0.790 52.771 52.037 -0.093 0.000 0.676 39 A CB -0.450 18.355 19.000 -0.326 0.000 0.818 39 A HN 0.256 nan 8.150 nan 0.000 0.453 40 L N -0.272 120.896 121.223 -0.091 0.000 2.005 40 L HA -0.117 4.280 4.340 0.096 0.000 0.207 40 L C 2.871 179.714 176.870 -0.045 0.000 1.072 40 L CA 2.099 56.892 54.840 -0.077 0.000 0.744 40 L CB -1.536 40.490 42.059 -0.054 0.000 0.895 40 L HN 0.427 nan 8.230 nan 0.000 0.433 41 A N 0.284 123.098 122.820 -0.009 0.000 1.836 41 A HA -0.174 4.204 4.320 0.096 0.000 0.215 41 A C 1.149 178.738 177.584 0.010 0.000 1.214 41 A CA 0.786 52.836 52.037 0.022 0.000 0.636 41 A CB -1.046 18.009 19.000 0.092 0.000 0.847 41 A HN 0.275 nan 8.150 nan 0.000 0.451 42 L N 0.185 121.422 121.223 0.023 0.000 2.514 42 L HA 0.205 4.602 4.340 0.096 0.000 0.280 42 L C 1.349 178.198 176.870 -0.035 0.000 1.223 42 L CA 0.844 55.688 54.840 0.006 0.000 0.864 42 L CB -1.059 41.008 42.059 0.012 0.000 1.118 42 L HN 0.471 nan 8.230 nan 0.000 0.494 43 G N 1.432 110.206 108.800 -0.044 0.000 2.634 43 G HA2 0.303 4.320 3.960 0.096 0.000 0.255 43 G HA3 0.303 4.320 3.960 0.096 0.000 0.255 43 G C 1.177 176.019 174.900 -0.097 0.000 1.205 43 G CA -0.021 45.038 45.100 -0.070 0.000 0.884 43 G HN 0.658 nan 8.290 nan 0.000 0.549 44 V N -2.113 117.722 119.914 -0.131 0.000 3.026 44 V HA -0.019 4.158 4.120 0.096 0.000 0.265 44 V C 1.611 177.584 176.094 -0.202 0.000 1.121 44 V CA 2.041 64.232 62.300 -0.182 0.000 1.142 44 V CB -0.289 31.401 31.823 -0.223 0.000 0.730 44 V HN 0.572 nan 8.190 nan 0.000 0.503 45 E N 0.270 120.381 120.200 -0.148 0.000 2.415 45 E HA 0.126 4.533 4.350 0.096 0.000 0.197 45 E C 2.196 178.756 176.600 -0.066 0.000 1.007 45 E CA 0.243 56.571 56.400 -0.120 0.000 0.890 45 E CB 0.307 29.953 29.700 -0.090 0.000 0.891 45 E HN 0.656 nan 8.360 nan 0.000 0.496 46 R N -0.380 120.087 120.500 -0.055 0.000 2.195 46 R HA 0.110 4.507 4.340 0.096 0.000 0.197 46 R C 2.102 178.395 176.300 -0.011 0.000 0.990 46 R CA 0.721 56.806 56.100 -0.024 0.000 1.048 46 R CB -0.013 30.277 30.300 -0.016 0.000 0.997 46 R HN -0.009 nan 8.270 nan 0.000 0.502 47 T N 2.080 116.618 114.554 -0.027 0.000 2.720 47 T HA -0.176 4.231 4.350 0.096 0.000 0.268 47 T C 1.721 176.444 174.700 0.039 0.000 1.037 47 T CA 1.741 63.843 62.100 0.003 0.000 1.144 47 T CB -0.144 68.693 68.868 -0.052 0.000 0.864 47 T HN 0.416 nan 8.240 nan 0.000 0.444 48 R N 1.360 121.862 120.500 0.003 0.000 2.317 48 R HA 0.248 4.645 4.340 0.096 0.000 0.208 48 R C 2.252 178.570 176.300 0.029 0.000 0.914 48 R CA 0.754 56.870 56.100 0.026 0.000 1.060 48 R CB -0.212 30.087 30.300 -0.002 0.000 1.015 48 R HN 0.419 nan 8.270 nan 0.000 0.498 49 S N 0.759 116.469 115.700 0.017 0.000 2.329 49 S HA -0.099 4.429 4.470 0.096 0.000 0.215 49 S C 1.605 176.226 174.600 0.035 0.000 1.031 49 S CA 1.010 59.223 58.200 0.021 0.000 0.985 49 S CB -0.041 63.163 63.200 0.007 0.000 0.917 49 S HN 0.484 nan 8.310 nan 0.000 0.441 50 E N -0.976 119.246 120.200 0.036 0.000 2.676 50 E HA 0.245 4.652 4.350 0.096 0.000 0.225 50 E C 1.274 177.920 176.600 0.077 0.000 0.944 50 E CA -0.072 56.357 56.400 0.049 0.000 1.156 50 E CB 0.329 30.038 29.700 0.014 0.000 1.117 50 E HN 0.377 nan 8.360 nan 0.000 0.523 51 L N 0.815 122.085 121.223 0.078 0.000 2.095 51 L HA 0.025 4.422 4.340 0.096 0.000 0.204 51 L C 1.794 178.771 176.870 0.178 0.000 1.080 51 L CA 1.591 56.503 54.840 0.121 0.000 0.759 51 L CB -0.195 41.929 42.059 0.108 0.000 0.914 51 L HN 0.157 nan 8.230 nan 0.000 0.439 52 L N -0.492 120.812 121.223 0.136 0.000 2.131 52 L HA -0.028 4.369 4.340 0.096 0.000 0.206 52 L C -0.386 176.543 176.870 0.098 0.000 1.087 52 L CA 0.677 55.583 54.840 0.110 0.000 0.767 52 L CB -1.504 40.609 42.059 0.090 0.000 0.917 52 L HN 0.227 nan 8.230 nan 0.000 0.441 53 P HA -0.146 nan 4.420 nan 0.000 0.234 53 P C 1.055 178.440 177.300 0.142 0.000 1.167 53 P CA 1.013 64.171 63.100 0.097 0.000 0.763 53 P CB 0.080 31.833 31.700 0.089 0.000 0.835 54 F N 0.187 120.143 119.950 0.010 0.000 2.222 54 F HA 0.078 4.662 4.527 0.096 0.000 0.285 54 F C 1.584 177.383 175.800 -0.001 0.000 1.068 54 F CA 0.896 58.900 58.000 0.006 0.000 1.265 54 F CB -0.828 38.175 39.000 0.004 0.000 1.087 54 F HN -0.348 nan 8.300 nan 0.000 0.511 55 L N 0.378 121.580 121.223 -0.034 0.000 2.651 55 L HA -0.134 4.264 4.340 0.096 0.000 0.236 55 L C 1.439 178.216 176.870 -0.155 0.000 1.173 55 L CA 0.739 55.480 54.840 -0.165 0.000 0.843 55 L CB -1.331 40.707 42.059 -0.035 0.000 0.964 55 L HN 0.293 nan 8.230 nan 0.000 0.454 56 T N -0.709 113.775 114.554 -0.118 0.000 3.523 56 T HA -0.065 4.342 4.350 0.096 0.000 0.216 56 T C 1.096 175.739 174.700 -0.095 0.000 0.922 56 T CA 0.690 62.742 62.100 -0.081 0.000 1.558 56 T CB -0.247 68.602 68.868 -0.031 0.000 1.424 56 T HN 0.447 nan 8.240 nan 0.000 0.452 57 D N 1.766 122.122 120.400 -0.073 0.000 2.400 57 D HA 0.012 4.709 4.640 0.096 0.000 0.242 57 D C 0.572 176.822 176.300 -0.083 0.000 1.077 57 D CA 0.539 54.505 54.000 -0.058 0.000 0.943 57 D CB -0.382 40.403 40.800 -0.025 0.000 0.882 57 D HN 0.253 nan 8.370 nan 0.000 0.529 58 T N -0.698 113.752 114.554 -0.173 0.000 2.633 58 T HA 0.434 4.842 4.350 0.096 0.000 0.262 58 T C -0.048 174.537 174.700 -0.192 0.000 0.920 58 T CA -1.030 60.936 62.100 -0.224 0.000 1.062 58 T CB 0.908 69.416 68.868 -0.600 0.000 1.390 58 T HN 0.082 nan 8.240 nan 0.000 0.549 59 I N 1.844 122.257 120.570 -0.262 0.000 8.240 59 I HA -0.244 3.984 4.170 0.096 0.000 0.126 59 I C -0.154 175.872 176.117 -0.151 0.000 1.791 59 I CA 0.459 61.584 61.300 -0.292 0.000 2.143 59 I CB -0.534 37.311 38.000 -0.258 0.000 3.682 59 I HN 0.938 nan 8.210 nan 0.000 0.201 60 Y N 2.550 122.804 120.300 -0.076 0.000 2.563 60 Y HA 0.349 4.956 4.550 0.095 0.000 0.250 60 Y C 0.812 176.693 175.900 -0.032 0.000 1.126 60 Y CA -0.909 57.162 58.100 -0.047 0.000 1.231 60 Y CB -0.334 38.102 38.460 -0.040 0.000 1.288 60 Y HN 0.432 nan 8.280 nan 0.000 0.537 61 D N 2.532 122.670 120.400 -0.436 0.000 2.075 61 D HA -0.151 4.547 4.640 0.096 0.000 0.230 61 D C 0.040 176.313 176.300 -0.044 0.000 1.393 61 D CA 0.780 54.632 54.000 -0.247 0.000 0.911 61 D CB 0.631 41.277 40.800 -0.257 0.000 1.430 61 D HN 0.464 nan 8.370 nan 0.000 0.543 62 E N 0.376 120.557 120.200 -0.032 0.000 2.383 62 E HA -0.033 4.374 4.350 0.096 0.000 0.264 62 E C 0.778 177.371 176.600 -0.012 0.000 1.050 62 E CA -0.317 56.081 56.400 -0.002 0.000 0.896 62 E CB 0.587 30.286 29.700 -0.001 0.000 0.982 62 E HN 0.262 nan 8.360 nan 0.000 0.424 63 D N 2.144 122.544 120.400 0.001 0.000 2.191 63 D HA -0.264 4.433 4.640 0.096 0.000 0.195 63 D C 1.554 177.849 176.300 -0.009 0.000 1.003 63 D CA 1.565 55.564 54.000 -0.001 0.000 0.867 63 D CB 0.088 40.892 40.800 0.006 0.000 0.926 63 D HN 0.612 nan 8.370 nan 0.000 0.450 64 E N 0.583 120.777 120.200 -0.009 0.000 2.150 64 E HA -0.130 4.278 4.350 0.096 0.000 0.193 64 E C 2.170 178.757 176.600 -0.021 0.000 0.985 64 E CA 0.557 56.951 56.400 -0.011 0.000 0.814 64 E CB 0.255 29.950 29.700 -0.008 0.000 0.752 64 E HN 0.051 nan 8.360 nan 0.000 0.466 65 V N 1.274 121.169 119.914 -0.032 0.000 2.358 65 V HA -0.253 3.924 4.120 0.096 0.000 0.246 65 V C 2.432 178.495 176.094 -0.051 0.000 1.047 65 V CA 1.371 63.643 62.300 -0.047 0.000 1.035 65 V CB -0.462 31.317 31.823 -0.073 0.000 0.658 65 V HN 0.324 nan 8.190 nan 0.000 0.452 66 L N -0.706 120.489 121.223 -0.047 0.000 2.046 66 L HA -0.179 4.218 4.340 0.096 0.000 0.208 66 L C 2.476 179.325 176.870 -0.036 0.000 1.077 66 L CA 1.146 55.959 54.840 -0.045 0.000 0.747 66 L CB -0.643 41.398 42.059 -0.030 0.000 0.896 66 L HN 0.330 nan 8.230 nan 0.000 0.432 67 L N 0.293 121.502 121.223 -0.024 0.000 2.012 67 L HA -0.189 4.208 4.340 0.096 0.000 0.210 67 L C 2.649 179.506 176.870 -0.022 0.000 1.073 67 L CA 2.090 56.920 54.840 -0.016 0.000 0.748 67 L CB -0.869 41.185 42.059 -0.008 0.000 0.891 67 L HN 0.170 nan 8.230 nan 0.000 0.431 68 A N -0.541 122.264 122.820 -0.026 0.000 1.851 68 A HA -0.234 4.144 4.320 0.096 0.000 0.216 68 A C 2.248 179.806 177.584 -0.044 0.000 1.195 68 A CA 2.075 54.095 52.037 -0.027 0.000 0.622 68 A CB -1.225 17.759 19.000 -0.026 0.000 0.831 68 A HN 0.503 nan 8.150 nan 0.000 0.444 69 L N -0.007 121.180 121.223 -0.060 0.000 1.971 69 L HA -0.155 4.242 4.340 0.096 0.000 0.215 69 L C 2.626 179.431 176.870 -0.108 0.000 1.072 69 L CA 2.718 57.504 54.840 -0.091 0.000 0.758 69 L CB -1.142 40.860 42.059 -0.094 0.000 0.889 69 L HN 0.365 nan 8.230 nan 0.000 0.433 70 A N -1.067 121.708 122.820 -0.075 0.000 1.972 70 A HA -0.250 4.127 4.320 0.096 0.000 0.219 70 A C 2.317 179.870 177.584 -0.052 0.000 1.169 70 A CA 1.750 53.749 52.037 -0.063 0.000 0.635 70 A CB -0.727 18.253 19.000 -0.033 0.000 0.810 70 A HN 0.708 nan 8.150 nan 0.000 0.446 71 E N -0.796 119.380 120.200 -0.040 0.000 2.015 71 E HA -0.276 4.132 4.350 0.096 0.000 0.191 71 E C 2.195 178.778 176.600 -0.028 0.000 0.991 71 E CA 1.456 57.845 56.400 -0.019 0.000 0.802 71 E CB -0.215 29.481 29.700 -0.007 0.000 0.759 71 E HN 0.509 nan 8.360 nan 0.000 0.447 72 Q N 0.952 120.721 119.800 -0.052 0.000 2.112 72 Q HA -0.112 4.286 4.340 0.096 0.000 0.206 72 Q C 2.065 177.955 176.000 -0.183 0.000 0.987 72 Q CA 1.376 57.144 55.803 -0.059 0.000 0.858 72 Q CB -0.431 28.265 28.738 -0.070 0.000 0.905 72 Q HN 0.395 nan 8.270 nan 0.000 0.420 73 L N -0.242 120.797 121.223 -0.307 0.000 2.700 73 L HA -0.032 4.365 4.340 0.096 0.000 0.240 73 L C 1.652 178.449 176.870 -0.123 0.000 1.162 73 L CA 0.370 54.954 54.840 -0.428 0.000 0.874 73 L CB -0.588 41.282 42.059 -0.315 0.000 1.001 73 L HN 0.363 nan 8.230 nan 0.000 0.447 74 G N -0.267 108.517 108.800 -0.028 0.000 2.551 74 G HA2 -0.158 3.860 3.960 0.096 0.000 0.214 74 G HA3 -0.158 3.860 3.960 0.096 0.000 0.214 74 G C 0.723 175.690 174.900 0.112 0.000 1.250 74 G CA 0.595 45.723 45.100 0.046 0.000 0.825 74 G HN 0.391 nan 8.290 nan 0.000 0.549 75 T N -2.124 112.516 114.554 0.144 0.000 2.848 75 T HA 0.517 4.924 4.350 0.096 0.000 0.283 75 T C -0.231 174.699 174.700 0.383 0.000 0.919 75 T CA -0.280 61.930 62.100 0.183 0.000 1.071 75 T CB 0.609 69.558 68.868 0.133 0.000 0.912 75 T HN 0.106 nan 8.240 nan 0.000 0.570 76 F N 0.703 120.656 119.950 0.006 0.000 2.959 76 F HA 0.072 4.656 4.527 0.095 0.000 0.411 76 F C 2.218 178.014 175.800 -0.006 0.000 0.957 76 F CA 0.275 58.275 58.000 0.001 0.000 0.967 76 F CB -0.404 38.600 39.000 0.007 0.000 1.325 76 F HN 0.606 nan 8.300 nan 0.000 0.553 77 T N -2.691 111.950 114.554 0.145 0.000 2.792 77 T HA -0.294 4.113 4.350 0.096 0.000 0.268 77 T C 1.903 176.606 174.700 0.006 0.000 1.059 77 T CA 2.320 64.459 62.100 0.064 0.000 1.136 77 T CB -0.740 68.153 68.868 0.043 0.000 0.846 77 T HN 0.300 nan 8.240 nan 0.000 0.489 78 T N 0.145 114.681 114.554 -0.030 0.000 3.021 78 T HA 0.230 4.637 4.350 0.096 0.000 0.245 78 T C 1.203 175.818 174.700 -0.141 0.000 1.028 78 T CA -0.191 61.867 62.100 -0.069 0.000 1.139 78 T CB -0.350 68.483 68.868 -0.058 0.000 0.884 78 T HN 0.224 nan 8.240 nan 0.000 0.457 79 L N 1.909 122.985 121.223 -0.245 0.000 2.869 79 L HA 0.249 4.647 4.340 0.096 0.000 0.259 79 L C 1.116 177.786 176.870 -0.333 0.000 1.162 79 L CA 0.669 55.276 54.840 -0.388 0.000 0.975 79 L CB -0.140 41.460 42.059 -0.766 0.000 1.217 79 L HN 0.249 nan 8.230 nan 0.000 0.418 80 V N -2.682 117.112 119.914 -0.199 0.000 3.869 80 V HA 0.531 4.708 4.120 0.096 0.000 0.310 80 V C 0.820 176.788 176.094 -0.211 0.000 1.641 80 V CA 0.630 62.836 62.300 -0.157 0.000 1.269 80 V CB 0.290 32.095 31.823 -0.029 0.000 0.997 80 V HN 0.479 nan 8.190 nan 0.000 0.435 81 G N 0.178 108.872 108.800 -0.176 0.000 1.672 81 G HA2 0.433 4.450 3.960 0.096 0.000 0.110 81 G HA3 0.433 4.450 3.960 0.096 0.000 0.110 81 G C 0.795 175.675 174.900 -0.034 0.000 1.946 81 G CA 0.601 45.610 45.100 -0.152 0.000 1.302 81 G HN 1.852 nan 8.290 nan 0.000 0.416 82 G N -0.788 108.032 108.800 0.033 0.000 2.351 82 G HA2 0.574 4.591 3.960 0.096 0.000 0.279 82 G HA3 0.574 4.591 3.960 0.096 0.000 0.279 82 G C -2.392 172.531 174.900 0.040 0.000 1.297 82 G CA 0.731 45.846 45.100 0.024 0.000 0.886 82 G HN 0.765 nan 8.290 nan 0.000 0.493 83 P HA -0.083 nan 4.420 nan 0.000 0.229 83 P C 0.920 178.235 177.300 0.025 0.000 1.147 83 P CA 1.242 64.344 63.100 0.003 0.000 0.766 83 P CB 0.262 31.970 31.700 0.013 0.000 0.775 84 E N -1.532 118.713 120.200 0.075 0.000 2.140 84 E HA -0.062 4.345 4.350 0.096 0.000 0.191 84 E C 1.101 177.680 176.600 -0.035 0.000 0.973 84 E CA 0.891 57.330 56.400 0.065 0.000 0.829 84 E CB 0.034 29.826 29.700 0.154 0.000 0.781 84 E HN 0.377 nan 8.360 nan 0.000 0.466 85 Y N -0.906 119.339 120.300 -0.091 0.000 2.430 85 Y HA 0.065 4.673 4.550 0.097 0.000 0.248 85 Y C 1.804 177.495 175.900 -0.348 0.000 1.108 85 Y CA -0.207 57.734 58.100 -0.265 0.000 1.264 85 Y CB 0.276 38.624 38.460 -0.186 0.000 1.172 85 Y HN -0.153 nan 8.280 nan 0.000 0.520 86 V N 1.454 121.315 119.914 -0.089 0.000 2.418 86 V HA -0.373 3.804 4.120 0.096 0.000 0.258 86 V C 1.810 177.821 176.094 -0.138 0.000 1.088 86 V CA 2.778 64.996 62.300 -0.138 0.000 1.091 86 V CB -0.537 31.126 31.823 -0.267 0.000 0.669 86 V HN 0.780 nan 8.190 nan 0.000 0.461 87 H N -3.021 115.976 119.070 -0.121 0.000 2.611 87 H HA 0.122 4.737 4.556 0.098 0.000 0.283 87 H C 1.270 176.589 175.328 -0.014 0.000 1.075 87 H CA 0.800 56.876 56.048 0.047 0.000 1.184 87 H CB -1.155 28.674 29.762 0.112 0.000 1.294 87 H HN 0.429 nan 8.280 nan 0.000 0.619 88 C N -0.124 119.086 119.300 -0.151 0.000 3.183 88 C HA 0.299 4.816 4.460 0.096 0.000 0.285 88 C C 1.683 176.686 174.990 0.021 0.000 1.313 88 C CA -0.293 58.675 59.018 -0.083 0.000 1.711 88 C CB -0.708 26.987 27.740 -0.075 0.000 2.135 88 C HN 0.684 nan 8.230 nan 0.000 0.651 89 L N -0.339 120.920 121.223 0.060 0.000 2.590 89 L HA 0.169 4.566 4.340 0.096 0.000 0.227 89 L C 2.157 179.079 176.870 0.088 0.000 1.099 89 L CA 0.370 55.255 54.840 0.076 0.000 0.872 89 L CB -0.245 41.874 42.059 0.100 0.000 1.088 89 L HN 0.263 nan 8.230 nan 0.000 0.479 90 L N 0.627 121.928 121.223 0.130 0.000 2.127 90 L HA -0.139 4.259 4.340 0.096 0.000 0.211 90 L C -0.286 176.616 176.870 0.054 0.000 1.089 90 L CA 1.768 56.687 54.840 0.130 0.000 0.757 90 L CB -1.594 40.582 42.059 0.196 0.000 0.899 90 L HN 0.277 nan 8.230 nan 0.000 0.434 91 P HA 0.005 nan 4.420 nan 0.000 0.222 91 P C -1.362 175.931 177.300 -0.011 0.000 1.157 91 P CA 0.618 63.724 63.100 0.010 0.000 0.816 91 P CB -0.663 31.047 31.700 0.015 0.000 0.813 92 P HA -0.010 nan 4.420 nan 0.000 0.231 92 P C 1.371 178.648 177.300 -0.039 0.000 1.168 92 P CA 1.019 64.098 63.100 -0.034 0.000 0.779 92 P CB -0.034 31.641 31.700 -0.042 0.000 0.844 93 L N -0.011 121.198 121.223 -0.023 0.000 2.121 93 L HA 0.044 4.441 4.340 0.096 0.000 0.200 93 L C 2.691 179.543 176.870 -0.031 0.000 1.077 93 L CA 0.897 55.724 54.840 -0.021 0.000 0.766 93 L CB -1.097 40.965 42.059 0.005 0.000 0.931 93 L HN -0.039 nan 8.230 nan 0.000 0.452 94 E N -0.207 119.970 120.200 -0.038 0.000 2.401 94 E HA -0.282 4.125 4.350 0.096 0.000 0.204 94 E C 2.009 178.570 176.600 -0.065 0.000 1.036 94 E CA 1.274 57.638 56.400 -0.060 0.000 0.856 94 E CB 0.150 29.810 29.700 -0.066 0.000 0.770 94 E HN 0.327 nan 8.360 nan 0.000 0.527 95 S N -0.976 114.691 115.700 -0.055 0.000 2.452 95 S HA 0.068 4.595 4.470 0.096 0.000 0.225 95 S C 1.779 176.354 174.600 -0.042 0.000 1.057 95 S CA -0.058 58.105 58.200 -0.061 0.000 0.949 95 S CB 0.004 63.169 63.200 -0.057 0.000 0.836 95 S HN 0.298 nan 8.310 nan 0.000 0.518 96 L N 1.708 122.911 121.223 -0.033 0.000 2.056 96 L HA 0.123 4.521 4.340 0.096 0.000 0.207 96 L C 2.546 179.412 176.870 -0.007 0.000 1.078 96 L CA 1.176 56.004 54.840 -0.020 0.000 0.749 96 L CB -0.503 41.541 42.059 -0.026 0.000 0.901 96 L HN 0.411 nan 8.230 nan 0.000 0.433 97 A N -1.380 121.433 122.820 -0.011 0.000 2.263 97 A HA -0.052 4.326 4.320 0.096 0.000 0.205 97 A C 1.529 179.115 177.584 0.003 0.000 1.226 97 A CA 1.353 53.390 52.037 -0.001 0.000 0.810 97 A CB -0.631 18.363 19.000 -0.009 0.000 0.784 97 A HN 0.401 nan 8.150 nan 0.000 0.486 98 T N -1.053 113.504 114.554 0.005 0.000 3.058 98 T HA 0.221 4.628 4.350 0.096 0.000 0.278 98 T C 0.364 175.130 174.700 0.110 0.000 0.974 98 T CA -0.151 61.967 62.100 0.029 0.000 0.893 98 T CB 0.180 69.014 68.868 -0.056 0.000 1.138 98 T HN 0.070 nan 8.240 nan 0.000 0.529 99 V N 2.125 122.085 119.914 0.076 0.000 3.096 99 V HA 0.114 4.291 4.120 0.096 0.000 0.306 99 V C 1.755 177.890 176.094 0.068 0.000 1.088 99 V CA 0.233 62.589 62.300 0.094 0.000 1.129 99 V CB 1.057 32.909 31.823 0.049 0.000 1.014 99 V HN 0.372 nan 8.190 nan 0.000 0.486 100 E N 0.457 120.677 120.200 0.033 0.000 2.158 100 E HA -0.073 4.334 4.350 0.096 0.000 0.191 100 E C 0.736 177.329 176.600 -0.011 0.000 0.982 100 E CA 0.199 56.575 56.400 -0.041 0.000 0.823 100 E CB 0.234 29.865 29.700 -0.115 0.000 0.766 100 E HN 0.659 nan 8.360 nan 0.000 0.468 101 E N 1.117 121.320 120.200 0.005 0.000 2.328 101 E HA -0.050 4.357 4.350 0.096 0.000 0.265 101 E C 0.924 177.538 176.600 0.023 0.000 1.057 101 E CA 0.240 56.649 56.400 0.014 0.000 0.916 101 E CB 1.275 30.983 29.700 0.012 0.000 0.993 101 E HN 0.348 nan 8.360 nan 0.000 0.446 102 T N 0.287 114.861 114.554 0.033 0.000 2.635 102 T HA -0.214 4.194 4.350 0.096 0.000 0.267 102 T C 1.908 176.627 174.700 0.031 0.000 1.040 102 T CA 1.608 63.733 62.100 0.040 0.000 1.156 102 T CB -0.545 68.352 68.868 0.049 0.000 0.863 102 T HN 0.248 nan 8.240 nan 0.000 0.430 103 V N 1.669 121.598 119.914 0.025 0.000 2.311 103 V HA -0.230 3.947 4.120 0.096 0.000 0.256 103 V C 2.832 178.937 176.094 0.018 0.000 1.077 103 V CA 2.029 64.342 62.300 0.020 0.000 1.067 103 V CB -1.361 30.471 31.823 0.015 0.000 0.659 103 V HN 0.454 nan 8.190 nan 0.000 0.451 104 V N 1.219 121.142 119.914 0.016 0.000 2.221 104 V HA -0.257 3.920 4.120 0.096 0.000 0.240 104 V C 2.676 178.780 176.094 0.016 0.000 1.041 104 V CA 2.534 64.841 62.300 0.011 0.000 0.991 104 V CB -0.840 30.988 31.823 0.009 0.000 0.634 104 V HN 0.711 nan 8.190 nan 0.000 0.450 105 R N 0.375 120.888 120.500 0.021 0.000 2.261 105 R HA -0.208 4.189 4.340 0.096 0.000 0.236 105 R C 1.534 177.853 176.300 0.031 0.000 1.141 105 R CA 2.036 58.151 56.100 0.025 0.000 1.001 105 R CB -0.794 29.524 30.300 0.031 0.000 0.866 105 R HN 0.466 nan 8.270 nan 0.000 0.468 106 D N 1.026 121.445 120.400 0.033 0.000 2.078 106 D HA -0.116 4.581 4.640 0.096 0.000 0.193 106 D C 1.640 177.962 176.300 0.037 0.000 0.990 106 D CA 1.187 55.210 54.000 0.037 0.000 0.827 106 D CB -0.026 40.794 40.800 0.033 0.000 0.975 106 D HN 0.035 nan 8.370 nan 0.000 0.451 107 K N 0.550 120.967 120.400 0.028 0.000 2.001 107 K HA -0.121 4.256 4.320 0.096 0.000 0.214 107 K C 2.081 178.698 176.600 0.029 0.000 1.050 107 K CA 1.261 57.564 56.287 0.025 0.000 0.934 107 K CB -0.872 31.636 32.500 0.013 0.000 0.718 107 K HN 0.116 nan 8.250 nan 0.000 0.443 108 A N 0.931 123.763 122.820 0.020 0.000 1.896 108 A HA -0.210 4.167 4.320 0.096 0.000 0.220 108 A C 2.461 180.070 177.584 0.042 0.000 1.206 108 A CA 2.582 54.631 52.037 0.020 0.000 0.647 108 A CB -0.964 18.041 19.000 0.008 0.000 0.828 108 A HN 0.140 nan 8.150 nan 0.000 0.455 109 V N -0.085 119.858 119.914 0.047 0.000 2.626 109 V HA -0.231 3.947 4.120 0.096 0.000 0.252 109 V C 2.404 178.554 176.094 0.094 0.000 1.067 109 V CA 2.129 64.470 62.300 0.067 0.000 1.081 109 V CB -0.800 31.061 31.823 0.064 0.000 0.686 109 V HN 0.774 nan 8.190 nan 0.000 0.468 110 E N 0.523 120.770 120.200 0.077 0.000 2.047 110 E HA -0.190 4.217 4.350 0.096 0.000 0.191 110 E C 2.344 179.001 176.600 0.095 0.000 0.987 110 E CA 1.628 58.077 56.400 0.081 0.000 0.799 110 E CB -0.059 29.675 29.700 0.057 0.000 0.752 110 E HN 0.601 nan 8.360 nan 0.000 0.449 111 S N 0.996 116.746 115.700 0.082 0.000 2.348 111 S HA -0.157 4.370 4.470 0.096 0.000 0.221 111 S C 2.014 176.705 174.600 0.151 0.000 1.033 111 S CA 1.008 59.263 58.200 0.091 0.000 1.010 111 S CB -0.421 62.812 63.200 0.055 0.000 0.891 111 S HN 0.257 nan 8.310 nan 0.000 0.442 112 L N 1.283 122.605 121.223 0.164 0.000 1.976 112 L HA -0.289 4.108 4.340 0.096 0.000 0.223 112 L C 2.790 179.892 176.870 0.387 0.000 1.081 112 L CA 1.770 56.769 54.840 0.266 0.000 0.784 112 L CB -0.540 41.616 42.059 0.161 0.000 0.896 112 L HN 0.303 nan 8.230 nan 0.000 0.438 113 R N -0.598 120.091 120.500 0.314 0.000 2.119 113 R HA -0.230 4.167 4.340 0.096 0.000 0.246 113 R C 2.274 178.772 176.300 0.329 0.000 1.146 113 R CA 1.498 57.799 56.100 0.336 0.000 0.962 113 R CB -0.665 29.785 30.300 0.250 0.000 0.863 113 R HN 0.478 nan 8.270 nan 0.000 0.442 114 A N 2.176 125.122 122.820 0.211 0.000 1.835 114 A HA -0.157 4.220 4.320 0.096 0.000 0.215 114 A C 2.239 179.924 177.584 0.169 0.000 1.199 114 A CA 1.696 53.800 52.037 0.110 0.000 0.615 114 A CB -0.756 18.282 19.000 0.062 0.000 0.838 114 A HN 0.491 nan 8.150 nan 0.000 0.444 115 I N -0.524 120.161 120.570 0.191 0.000 3.241 115 I HA -0.103 4.124 4.170 0.096 0.000 0.280 115 I C 2.017 178.281 176.117 0.246 0.000 1.320 115 I CA 1.495 62.906 61.300 0.184 0.000 1.413 115 I CB -0.462 37.646 38.000 0.179 0.000 1.060 115 I HN 0.349 nan 8.210 nan 0.000 0.500 116 S N 1.237 117.084 115.700 0.246 0.000 2.368 116 S HA -0.241 4.286 4.470 0.096 0.000 0.224 116 S C 1.832 176.431 174.600 -0.002 0.000 1.029 116 S CA 1.400 59.543 58.200 -0.096 0.000 0.988 116 S CB -0.838 62.152 63.200 -0.350 0.000 0.838 116 S HN 0.614 nan 8.310 nan 0.000 0.462 117 H N 2.003 121.060 119.070 -0.021 0.000 2.352 117 H HA 0.109 4.724 4.556 0.099 0.000 0.299 117 H C 1.664 176.997 175.328 0.009 0.000 1.097 117 H CA 1.593 57.637 56.048 -0.006 0.000 1.311 117 H CB -0.362 29.408 29.762 0.014 0.000 1.377 117 H HN 0.419 nan 8.280 nan 0.000 0.504 118 E N 0.988 121.276 120.200 0.147 0.000 2.405 118 E HA -0.039 4.368 4.350 0.096 0.000 0.194 118 E C 0.140 176.712 176.600 -0.046 0.000 1.149 118 E CA 0.243 56.669 56.400 0.043 0.000 0.933 118 E CB -0.303 29.407 29.700 0.017 0.000 1.028 118 E HN 0.601 nan 8.360 nan 0.000 0.487 119 H N -0.101 118.953 119.070 -0.027 0.000 2.669 119 H HA 0.339 4.955 4.556 0.100 0.000 0.318 119 H C 0.419 175.730 175.328 -0.029 0.000 1.429 119 H CA -0.308 55.719 56.048 -0.036 0.000 1.460 119 H CB 1.546 31.220 29.762 -0.147 0.000 1.784 119 H HN 0.022 nan 8.280 nan 0.000 0.750 120 S N 0.414 116.197 115.700 0.138 0.000 2.536 120 S HA 0.223 4.751 4.470 0.096 0.000 0.298 120 S C -2.101 172.516 174.600 0.029 0.000 1.083 120 S CA -1.395 56.839 58.200 0.057 0.000 0.995 120 S CB 2.719 65.946 63.200 0.045 0.000 1.058 120 S HN 0.335 nan 8.310 nan 0.000 0.488 121 P HA -0.190 nan 4.420 nan 0.000 0.218 121 P C 1.275 178.553 177.300 -0.037 0.000 1.154 121 P CA 1.634 64.714 63.100 -0.033 0.000 0.872 121 P CB -0.174 31.505 31.700 -0.035 0.000 0.790 122 S N -0.562 115.123 115.700 -0.025 0.000 2.395 122 S HA -0.091 4.437 4.470 0.096 0.000 0.225 122 S C 1.639 176.219 174.600 -0.034 0.000 1.027 122 S CA 1.088 59.266 58.200 -0.038 0.000 0.965 122 S CB -0.846 62.334 63.200 -0.034 0.000 0.812 122 S HN 0.173 nan 8.310 nan 0.000 0.482 123 D N 1.948 122.360 120.400 0.020 0.000 2.116 123 D HA -0.096 4.602 4.640 0.096 0.000 0.193 123 D C 1.915 178.255 176.300 0.066 0.000 0.998 123 D CA 0.912 54.977 54.000 0.108 0.000 0.836 123 D CB -0.395 40.597 40.800 0.321 0.000 0.951 123 D HN 0.292 nan 8.370 nan 0.000 0.449 124 L N 0.830 122.029 121.223 -0.040 0.000 1.955 124 L HA -0.184 4.213 4.340 0.096 0.000 0.213 124 L C 2.330 179.163 176.870 -0.061 0.000 1.072 124 L CA 1.395 56.156 54.840 -0.131 0.000 0.755 124 L CB -0.617 41.343 42.059 -0.164 0.000 0.888 124 L HN 0.027 nan 8.230 nan 0.000 0.432 125 E N -0.043 120.111 120.200 -0.076 0.000 2.331 125 E HA -0.190 4.217 4.350 0.096 0.000 0.199 125 E C 2.010 178.535 176.600 -0.124 0.000 1.008 125 E CA 0.860 57.209 56.400 -0.087 0.000 0.843 125 E CB -0.077 29.573 29.700 -0.083 0.000 0.761 125 E HN 0.520 nan 8.360 nan 0.000 0.507 126 A N 0.519 123.245 122.820 -0.157 0.000 1.850 126 A HA -0.080 4.297 4.320 0.096 0.000 0.212 126 A C 1.403 178.681 177.584 -0.510 0.000 1.208 126 A CA 1.292 53.129 52.037 -0.334 0.000 0.609 126 A CB -0.226 18.561 19.000 -0.354 0.000 0.860 126 A HN 0.197 nan 8.150 nan 0.000 0.448 127 H N -3.886 115.161 119.070 -0.039 0.000 2.521 127 H HA 0.295 4.911 4.556 0.099 0.000 0.267 127 H C 1.523 176.866 175.328 0.024 0.000 0.963 127 H CA 0.228 56.280 56.048 0.007 0.000 1.175 127 H CB -0.121 29.685 29.762 0.072 0.000 1.450 127 H HN 0.359 nan 8.280 nan 0.000 0.472 128 F N 1.656 121.572 119.950 -0.056 0.000 1.990 128 F HA -0.286 4.295 4.527 0.090 0.000 0.297 128 F C 2.248 177.950 175.800 -0.163 0.000 1.199 128 F CA 1.590 59.491 58.000 -0.164 0.000 1.184 128 F CB -0.793 37.986 39.000 -0.368 0.000 0.956 128 F HN -0.112 nan 8.300 nan 0.000 0.503 129 V N 1.136 121.066 119.914 0.027 0.000 2.353 129 V HA -0.348 3.829 4.120 0.096 0.000 0.260 129 V C -0.584 175.373 176.094 -0.230 0.000 1.091 129 V CA 2.674 64.886 62.300 -0.147 0.000 1.088 129 V CB -1.818 29.942 31.823 -0.105 0.000 0.672 129 V HN 0.293 nan 8.190 nan 0.000 0.455 130 P HA -0.140 nan 4.420 nan 0.000 0.216 130 P C 1.977 179.166 177.300 -0.185 0.000 1.153 130 P CA 1.328 64.333 63.100 -0.157 0.000 0.848 130 P CB -0.095 31.543 31.700 -0.103 0.000 0.787 131 L N -1.191 119.919 121.223 -0.189 0.000 2.201 131 L HA -0.103 4.295 4.340 0.096 0.000 0.212 131 L C 1.783 178.490 176.870 -0.273 0.000 1.105 131 L CA 1.459 56.175 54.840 -0.206 0.000 0.775 131 L CB -0.645 41.286 42.059 -0.213 0.000 0.913 131 L HN -0.191 nan 8.230 nan 0.000 0.440 132 V N 0.292 119.981 119.914 -0.374 0.000 2.515 132 V HA -0.214 3.963 4.120 0.096 0.000 0.250 132 V C 2.481 178.344 176.094 -0.386 0.000 1.058 132 V CA 1.913 63.974 62.300 -0.399 0.000 1.064 132 V CB -0.635 30.856 31.823 -0.553 0.000 0.675 132 V HN 0.471 nan 8.190 nan 0.000 0.461 133 K N -0.496 119.627 120.400 -0.462 0.000 2.305 133 K HA 0.036 4.413 4.320 0.096 0.000 0.199 133 K C 2.346 178.842 176.600 -0.173 0.000 1.047 133 K CA 0.438 56.391 56.287 -0.558 0.000 0.976 133 K CB -0.042 32.113 32.500 -0.576 0.000 0.765 133 K HN 0.392 nan 8.250 nan 0.000 0.474 134 R N 0.735 121.147 120.500 -0.147 0.000 2.062 134 R HA 0.017 4.414 4.340 0.096 0.000 0.229 134 R C 2.322 178.584 176.300 -0.062 0.000 1.128 134 R CA 0.896 56.947 56.100 -0.081 0.000 0.960 134 R CB -0.337 29.907 30.300 -0.092 0.000 0.855 134 R HN 0.115 nan 8.270 nan 0.000 0.432 135 L N 0.309 121.484 121.223 -0.080 0.000 1.976 135 L HA -0.147 4.250 4.340 0.096 0.000 0.209 135 L C 2.680 179.558 176.870 0.014 0.000 1.071 135 L CA 1.409 56.223 54.840 -0.044 0.000 0.746 135 L CB -0.673 41.355 42.059 -0.050 0.000 0.890 135 L HN 0.226 nan 8.230 nan 0.000 0.432 136 A N -0.041 122.806 122.820 0.045 0.000 2.076 136 A HA -0.131 4.246 4.320 0.096 0.000 0.220 136 A C 2.233 179.914 177.584 0.162 0.000 1.160 136 A CA 1.787 53.905 52.037 0.135 0.000 0.653 136 A CB -0.953 18.201 19.000 0.257 0.000 0.801 136 A HN 0.518 nan 8.150 nan 0.000 0.455 137 G N -0.789 108.098 108.800 0.144 0.000 2.662 137 G HA2 0.368 4.385 3.960 0.096 0.000 0.212 137 G HA3 0.368 4.385 3.960 0.096 0.000 0.212 137 G C 0.932 175.873 174.900 0.069 0.000 1.141 137 G CA 0.529 45.712 45.100 0.138 0.000 0.797 137 G HN 0.798 nan 8.290 nan 0.000 0.531 138 G N 0.463 109.284 108.800 0.034 0.000 2.905 138 G HA2 0.054 4.071 3.960 0.096 0.000 0.233 138 G HA3 0.054 4.071 3.960 0.096 0.000 0.233 138 G C 0.546 175.471 174.900 0.040 0.000 1.243 138 G CA 0.266 45.362 45.100 -0.006 0.000 0.856 138 G HN 0.178 nan 8.290 nan 0.000 0.594 139 D N -0.244 120.171 120.400 0.025 0.000 2.085 139 D HA -0.055 4.643 4.640 0.096 0.000 0.199 139 D C 0.464 176.943 176.300 0.297 0.000 0.981 139 D CA 0.831 54.919 54.000 0.147 0.000 0.834 139 D CB -0.089 40.812 40.800 0.168 0.000 0.992 139 D HN 0.385 nan 8.370 nan 0.000 0.457 140 W N 2.880 124.147 121.300 -0.055 0.000 2.489 140 W HA 0.041 4.758 4.660 0.095 0.000 0.327 140 W C 1.231 177.670 176.519 -0.134 0.000 1.436 140 W CA -1.247 56.014 57.345 -0.140 0.000 1.315 140 W CB -0.841 28.496 29.460 -0.205 0.000 1.373 140 W HN 0.000 nan 8.180 nan 0.000 0.557 141 F N 1.360 121.409 119.950 0.164 0.000 2.147 141 F HA -0.328 4.255 4.527 0.093 0.000 0.301 141 F C 1.913 177.762 175.800 0.081 0.000 1.084 141 F CA 1.990 60.038 58.000 0.080 0.000 1.268 141 F CB -1.806 37.208 39.000 0.022 0.000 1.009 141 F HN 0.261 nan 8.300 nan 0.000 0.486 142 T N -1.103 113.168 114.554 -0.472 0.000 2.570 142 T HA -0.318 4.090 4.350 0.096 0.000 0.266 142 T C 1.997 176.733 174.700 0.060 0.000 1.071 142 T CA 2.245 64.249 62.100 -0.160 0.000 1.172 142 T CB -1.431 67.294 68.868 -0.238 0.000 0.864 142 T HN 0.458 nan 8.240 nan 0.000 0.421 143 S N 2.146 117.879 115.700 0.055 0.000 2.378 143 S HA -0.227 4.300 4.470 0.096 0.000 0.229 143 S C 2.226 176.861 174.600 0.059 0.000 1.052 143 S CA 1.881 60.108 58.200 0.044 0.000 1.084 143 S CB -0.513 62.695 63.200 0.013 0.000 0.950 143 S HN 0.534 nan 8.310 nan 0.000 0.440 144 R N 0.492 121.046 120.500 0.090 0.000 2.105 144 R HA -0.028 4.370 4.340 0.096 0.000 0.239 144 R C 2.673 179.009 176.300 0.059 0.000 1.135 144 R CA 1.609 57.757 56.100 0.080 0.000 0.967 144 R CB -0.897 29.458 30.300 0.091 0.000 0.861 144 R HN 0.324 nan 8.270 nan 0.000 0.442 145 T N -0.364 114.251 114.554 0.102 0.000 2.701 145 T HA -0.110 4.297 4.350 0.096 0.000 0.263 145 T C 1.919 176.653 174.700 0.057 0.000 1.040 145 T CA 1.622 63.771 62.100 0.081 0.000 1.147 145 T CB -0.212 68.756 68.868 0.166 0.000 0.865 145 T HN 0.177 nan 8.240 nan 0.000 0.426 146 S N 0.458 116.198 115.700 0.067 0.000 2.440 146 S HA -0.034 4.494 4.470 0.096 0.000 0.238 146 S C 2.193 176.823 174.600 0.050 0.000 1.010 146 S CA 0.885 59.116 58.200 0.052 0.000 0.972 146 S CB -0.333 62.891 63.200 0.039 0.000 0.774 146 S HN 0.550 nan 8.310 nan 0.000 0.501 147 A N 0.463 123.316 122.820 0.055 0.000 1.840 147 A HA -0.110 4.267 4.320 0.096 0.000 0.214 147 A C 2.347 180.019 177.584 0.147 0.000 1.198 147 A CA 1.383 53.480 52.037 0.099 0.000 0.608 147 A CB -1.424 17.649 19.000 0.122 0.000 0.839 147 A HN 0.608 nan 8.150 nan 0.000 0.443 148 C N -0.716 118.587 119.300 0.006 0.000 2.404 148 C HA -0.234 4.283 4.460 0.096 0.000 0.272 148 C C 2.423 177.437 174.990 0.040 0.000 1.123 148 C CA 1.029 59.967 59.018 -0.135 0.000 1.867 148 C CB -1.726 25.924 27.740 -0.150 0.000 2.212 148 C HN 0.733 nan 8.230 nan 0.000 0.467 149 G N -1.217 107.648 108.800 0.109 0.000 3.327 149 G HA2 0.377 4.395 3.960 0.096 0.000 0.240 149 G HA3 0.377 4.395 3.960 0.096 0.000 0.240 149 G C 0.877 175.908 174.900 0.219 0.000 1.222 149 G CA -0.062 45.131 45.100 0.154 0.000 0.871 149 G HN 0.607 nan 8.290 nan 0.000 0.525 150 L N -1.530 119.878 121.223 0.308 0.000 2.966 150 L HA 0.355 4.752 4.340 0.096 0.000 0.262 150 L C 1.543 178.607 176.870 0.323 0.000 1.165 150 L CA -0.261 54.748 54.840 0.281 0.000 0.978 150 L CB 0.103 42.205 42.059 0.072 0.000 1.337 150 L HN 0.035 nan 8.230 nan 0.000 0.563 151 F N 0.053 120.025 119.950 0.036 0.000 2.149 151 F HA -0.039 4.539 4.527 0.085 0.000 0.294 151 F C 2.796 178.715 175.800 0.199 0.000 1.095 151 F CA 1.204 59.185 58.000 -0.031 0.000 1.276 151 F CB -0.899 37.754 39.000 -0.579 0.000 1.023 151 F HN -0.073 nan 8.300 nan 0.000 0.480 152 S N 0.202 116.166 115.700 0.440 0.000 2.420 152 S HA -0.147 4.380 4.470 0.096 0.000 0.237 152 S C 2.036 176.804 174.600 0.280 0.000 1.023 152 S CA 1.591 60.041 58.200 0.417 0.000 0.991 152 S CB -0.524 62.847 63.200 0.285 0.000 0.792 152 S HN 0.174 nan 8.310 nan 0.000 0.488 153 V N 0.987 121.050 119.914 0.249 0.000 2.341 153 V HA -0.030 4.147 4.120 0.096 0.000 0.240 153 V C 2.671 178.799 176.094 0.056 0.000 1.035 153 V CA 0.981 63.352 62.300 0.118 0.000 1.033 153 V CB -2.145 29.755 31.823 0.129 0.000 0.678 153 V HN 0.804 nan 8.190 nan 0.000 0.464 154 C N 0.240 119.619 119.300 0.131 0.000 2.659 154 C HA -0.209 4.309 4.460 0.096 0.000 0.289 154 C C 2.533 177.592 174.990 0.115 0.000 1.227 154 C CA 1.395 60.443 59.018 0.049 0.000 1.770 154 C CB -1.719 26.112 27.740 0.153 0.000 2.066 154 C HN 0.657 nan 8.230 nan 0.000 0.447 155 Y N 3.416 123.758 120.300 0.070 0.000 2.624 155 Y HA -0.341 4.251 4.550 0.071 0.000 0.241 155 Y C -0.447 175.468 175.900 0.025 0.000 1.418 155 Y CA 3.498 61.653 58.100 0.092 0.000 0.956 155 Y CB -1.918 36.695 38.460 0.256 0.000 0.745 155 Y HN 0.285 nan 8.280 nan 0.000 0.550 156 P HA -0.169 nan 4.420 nan 0.000 0.218 156 P C 0.090 177.366 177.300 -0.041 0.000 1.146 156 P CA 2.481 65.639 63.100 0.097 0.000 0.813 156 P CB -0.024 31.725 31.700 0.080 0.000 0.778 157 R N -1.061 119.402 120.500 -0.063 0.000 2.865 157 R HA 0.264 4.661 4.340 0.096 0.000 0.370 157 R C 0.201 176.439 176.300 -0.103 0.000 1.168 157 R CA -0.179 55.870 56.100 -0.084 0.000 1.058 157 R CB 0.379 30.633 30.300 -0.077 0.000 1.419 157 R HN 0.130 nan 8.270 nan 0.000 0.580 158 V N -3.121 116.707 119.914 -0.144 0.000 3.624 158 V HA 0.616 4.793 4.120 0.096 0.000 0.297 158 V C 0.351 176.358 176.094 -0.144 0.000 1.319 158 V CA -0.956 61.264 62.300 -0.134 0.000 0.990 158 V CB 1.327 33.071 31.823 -0.131 0.000 1.247 158 V HN 0.174 nan 8.190 nan 0.000 0.476 159 S N -0.848 114.776 115.700 -0.125 0.000 2.646 159 S HA 0.361 4.889 4.470 0.096 0.000 0.276 159 S C 0.771 175.294 174.600 -0.129 0.000 1.222 159 S CA 0.197 58.333 58.200 -0.107 0.000 1.014 159 S CB 1.117 64.273 63.200 -0.073 0.000 0.991 159 S HN 0.844 nan 8.310 nan 0.000 0.533 160 S N 0.857 116.495 115.700 -0.103 0.000 2.537 160 S HA 0.023 4.550 4.470 0.096 0.000 0.240 160 S C 1.703 176.272 174.600 -0.051 0.000 0.981 160 S CA 0.713 58.858 58.200 -0.091 0.000 0.948 160 S CB -0.627 62.539 63.200 -0.057 0.000 0.759 160 S HN 0.853 nan 8.310 nan 0.000 0.531 161 A N 0.576 123.369 122.820 -0.045 0.000 1.956 161 A HA 0.201 4.578 4.320 0.096 0.000 0.212 161 A C 2.161 179.744 177.584 -0.002 0.000 1.188 161 A CA 0.411 52.440 52.037 -0.014 0.000 0.675 161 A CB -0.434 18.556 19.000 -0.016 0.000 0.845 161 A HN 0.325 nan 8.150 nan 0.000 0.455 162 V N 0.721 120.615 119.914 -0.033 0.000 2.270 162 V HA -0.262 3.915 4.120 0.096 0.000 0.245 162 V C 2.397 178.501 176.094 0.017 0.000 1.043 162 V CA 2.288 64.575 62.300 -0.022 0.000 1.014 162 V CB -0.711 31.072 31.823 -0.066 0.000 0.645 162 V HN 0.507 nan 8.190 nan 0.000 0.447 163 K N 0.307 120.659 120.400 -0.081 0.000 2.089 163 K HA -0.255 4.122 4.320 0.096 0.000 0.210 163 K C 2.252 178.990 176.600 0.230 0.000 1.048 163 K CA 1.691 57.949 56.287 -0.048 0.000 0.926 163 K CB -0.517 31.734 32.500 -0.416 0.000 0.714 163 K HN 0.494 nan 8.250 nan 0.000 0.448 164 A N 1.476 124.372 122.820 0.126 0.000 1.978 164 A HA -0.235 4.142 4.320 0.096 0.000 0.220 164 A C 1.858 179.554 177.584 0.187 0.000 1.170 164 A CA 1.655 53.780 52.037 0.146 0.000 0.636 164 A CB -0.297 18.753 19.000 0.083 0.000 0.810 164 A HN 0.368 nan 8.150 nan 0.000 0.448 165 E N -0.289 120.026 120.200 0.192 0.000 2.030 165 E HA -0.002 4.405 4.350 0.096 0.000 0.189 165 E C 1.966 178.797 176.600 0.385 0.000 0.974 165 E CA 0.635 57.190 56.400 0.258 0.000 0.807 165 E CB -0.324 29.507 29.700 0.219 0.000 0.771 165 E HN 0.549 nan 8.360 nan 0.000 0.451 166 L N 1.196 122.612 121.223 0.322 0.000 1.957 166 L HA -0.326 4.071 4.340 0.096 0.000 0.228 166 L C 2.690 179.909 176.870 0.581 0.000 1.086 166 L CA 1.724 56.774 54.840 0.350 0.000 0.796 166 L CB -0.787 41.502 42.059 0.383 0.000 0.900 166 L HN 0.134 nan 8.230 nan 0.000 0.439 167 R N -0.433 120.427 120.500 0.601 0.000 2.162 167 R HA -0.324 4.073 4.340 0.096 0.000 0.245 167 R C 2.268 178.835 176.300 0.445 0.000 1.129 167 R CA 2.298 58.726 56.100 0.547 0.000 0.940 167 R CB -0.684 29.857 30.300 0.400 0.000 0.875 167 R HN 0.366 nan 8.270 nan 0.000 0.437 168 Q N 0.090 120.091 119.800 0.336 0.000 2.096 168 Q HA -0.221 4.176 4.340 0.096 0.000 0.208 168 Q C 1.784 177.906 176.000 0.203 0.000 0.993 168 Q CA 1.907 57.836 55.803 0.210 0.000 0.862 168 Q CB -0.436 28.381 28.738 0.133 0.000 0.915 168 Q HN 0.457 nan 8.270 nan 0.000 0.416 169 Y N -1.159 119.294 120.300 0.256 0.000 2.114 169 Y HA -0.203 4.386 4.550 0.064 0.000 0.284 169 Y C 1.904 177.958 175.900 0.258 0.000 1.143 169 Y CA 1.612 59.874 58.100 0.270 0.000 1.135 169 Y CB -0.458 38.202 38.460 0.333 0.000 0.980 169 Y HN 0.263 nan 8.280 nan 0.000 0.499 170 F N 0.747 120.941 119.950 0.406 0.000 2.346 170 F HA -0.230 4.346 4.527 0.082 0.000 0.301 170 F C 2.432 178.196 175.800 -0.059 0.000 1.070 170 F CA 1.409 59.327 58.000 -0.136 0.000 1.407 170 F CB -0.162 38.655 39.000 -0.305 0.000 1.072 170 F HN -0.080 nan 8.300 nan 0.000 0.543 171 R N 0.087 120.685 120.500 0.163 0.000 2.080 171 R HA -0.079 4.318 4.340 0.096 0.000 0.222 171 R C 1.955 178.235 176.300 -0.034 0.000 1.107 171 R CA 1.245 57.395 56.100 0.083 0.000 0.980 171 R CB -0.296 30.081 30.300 0.129 0.000 0.879 171 R HN 0.207 nan 8.270 nan 0.000 0.439 172 N N 1.010 119.690 118.700 -0.034 0.000 2.364 172 N HA -0.147 4.650 4.740 0.096 0.000 0.183 172 N C 1.798 177.253 175.510 -0.093 0.000 1.022 172 N CA 1.015 54.029 53.050 -0.061 0.000 0.883 172 N CB -0.029 38.415 38.487 -0.072 0.000 0.965 172 N HN 0.310 nan 8.380 nan 0.000 0.438 173 L N 0.232 121.354 121.223 -0.168 0.000 2.044 173 L HA -0.066 4.331 4.340 0.096 0.000 0.205 173 L C 2.146 178.857 176.870 -0.265 0.000 1.075 173 L CA 0.736 55.425 54.840 -0.252 0.000 0.747 173 L CB -0.533 41.246 42.059 -0.466 0.000 0.903 173 L HN 0.133 nan 8.230 nan 0.000 0.435 174 C N -0.372 118.744 119.300 -0.307 0.000 2.443 174 C HA -0.066 4.451 4.460 0.096 0.000 0.290 174 C C 2.192 177.111 174.990 -0.118 0.000 1.476 174 C CA 0.880 59.773 59.018 -0.208 0.000 1.772 174 C CB -1.253 26.407 27.740 -0.133 0.000 1.714 174 C HN 0.502 nan 8.230 nan 0.000 0.562 175 S N -1.494 114.144 115.700 -0.103 0.000 2.733 175 S HA 0.054 4.581 4.470 0.096 0.000 0.247 175 S C 0.125 174.686 174.600 -0.065 0.000 1.043 175 S CA -0.361 57.797 58.200 -0.069 0.000 1.066 175 S CB -0.020 63.151 63.200 -0.049 0.000 1.045 175 S HN 0.686 nan 8.310 nan 0.000 0.586 176 D N 2.384 122.737 120.400 -0.077 0.000 2.461 176 D HA -0.097 4.601 4.640 0.096 0.000 0.231 176 D C 0.004 176.275 176.300 -0.048 0.000 1.208 176 D CA 0.768 54.735 54.000 -0.055 0.000 0.879 176 D CB 0.612 41.376 40.800 -0.061 0.000 1.220 176 D HN 0.074 nan 8.370 nan 0.000 0.480 177 D N -0.117 120.265 120.400 -0.029 0.000 2.183 177 D HA -0.048 4.649 4.640 0.096 0.000 0.203 177 D C 0.210 176.481 176.300 -0.048 0.000 0.969 177 D CA 0.924 54.906 54.000 -0.030 0.000 0.842 177 D CB -0.044 40.750 40.800 -0.010 0.000 0.957 177 D HN 0.332 nan 8.370 nan 0.000 0.484 178 T N 0.361 114.883 114.554 -0.054 0.000 2.728 178 T HA 0.227 4.634 4.350 0.096 0.000 0.296 178 T C -2.019 172.594 174.700 -0.144 0.000 0.940 178 T CA -1.725 60.309 62.100 -0.111 0.000 1.013 178 T CB 1.707 70.501 68.868 -0.124 0.000 0.912 178 T HN -0.173 nan 8.240 nan 0.000 0.484 179 P HA -0.249 nan 4.420 nan 0.000 0.216 179 P C 2.169 179.369 177.300 -0.166 0.000 1.154 179 P CA 1.350 64.365 63.100 -0.143 0.000 0.865 179 P CB -0.164 31.455 31.700 -0.136 0.000 0.789 180 M N -1.418 118.033 119.600 -0.249 0.000 2.151 180 M HA -0.168 4.369 4.480 0.096 0.000 0.256 180 M C 1.910 178.122 176.300 -0.147 0.000 1.072 180 M CA 2.107 57.251 55.300 -0.260 0.000 1.090 180 M CB -2.290 29.983 32.600 -0.546 0.000 1.294 180 M HN -0.148 nan 8.290 nan 0.000 0.415 181 V N 0.563 120.403 119.914 -0.124 0.000 2.261 181 V HA -0.217 3.960 4.120 0.096 0.000 0.246 181 V C 2.745 178.764 176.094 -0.125 0.000 1.047 181 V CA 1.887 64.139 62.300 -0.080 0.000 1.015 181 V CB -0.820 30.977 31.823 -0.043 0.000 0.642 181 V HN 0.446 nan 8.190 nan 0.000 0.446 182 R N -0.219 120.205 120.500 -0.127 0.000 2.103 182 R HA -0.168 4.229 4.340 0.096 0.000 0.242 182 R C 2.548 178.778 176.300 -0.117 0.000 1.142 182 R CA 1.575 57.594 56.100 -0.134 0.000 0.960 182 R CB -0.391 29.843 30.300 -0.111 0.000 0.858 182 R HN 0.503 nan 8.270 nan 0.000 0.439 183 R N 0.151 120.590 120.500 -0.101 0.000 2.081 183 R HA -0.090 4.307 4.340 0.096 0.000 0.235 183 R C 2.373 178.634 176.300 -0.065 0.000 1.131 183 R CA 1.310 57.364 56.100 -0.077 0.000 0.960 183 R CB -0.422 29.832 30.300 -0.077 0.000 0.856 183 R HN 0.210 nan 8.270 nan 0.000 0.436 184 A N 1.570 124.344 122.820 -0.077 0.000 1.851 184 A HA -0.199 4.178 4.320 0.096 0.000 0.216 184 A C 2.441 179.966 177.584 -0.099 0.000 1.195 184 A CA 2.029 54.026 52.037 -0.067 0.000 0.622 184 A CB -0.915 18.045 19.000 -0.066 0.000 0.831 184 A HN 0.410 nan 8.150 nan 0.000 0.444 185 A N -0.352 122.346 122.820 -0.203 0.000 1.917 185 A HA 0.059 4.436 4.320 0.096 0.000 0.219 185 A C 2.539 180.079 177.584 -0.074 0.000 1.182 185 A CA 2.634 54.463 52.037 -0.347 0.000 0.633 185 A CB -1.148 17.506 19.000 -0.576 0.000 0.819 185 A HN 1.215 nan 8.150 nan 0.000 0.448 186 A N 0.267 123.062 122.820 -0.041 0.000 1.902 186 A HA -0.090 4.287 4.320 0.096 0.000 0.217 186 A C 2.430 180.061 177.584 0.077 0.000 1.181 186 A CA 2.306 54.370 52.037 0.044 0.000 0.623 186 A CB -1.070 17.931 19.000 0.002 0.000 0.818 186 A HN 1.129 nan 8.150 nan 0.000 0.443 187 S N -1.263 114.462 115.700 0.041 0.000 2.537 187 S HA -0.032 4.495 4.470 0.096 0.000 0.240 187 S C 1.322 175.975 174.600 0.088 0.000 0.981 187 S CA 1.257 59.489 58.200 0.053 0.000 0.948 187 S CB -0.017 63.200 63.200 0.029 0.000 0.759 187 S HN 0.408 nan 8.310 nan 0.000 0.531 188 K N 0.025 120.503 120.400 0.129 0.000 2.402 188 K HA 0.390 4.767 4.320 0.096 0.000 0.204 188 K C 1.216 177.998 176.600 0.302 0.000 1.056 188 K CA -0.114 56.293 56.287 0.200 0.000 1.069 188 K CB -0.126 32.492 32.500 0.197 0.000 0.888 188 K HN 0.317 nan 8.250 nan 0.000 0.546 189 L N 1.135 122.551 121.223 0.321 0.000 2.201 189 L HA -0.016 4.381 4.340 0.096 0.000 0.212 189 L C 1.754 178.713 176.870 0.148 0.000 1.105 189 L CA 1.605 56.628 54.840 0.305 0.000 0.775 189 L CB -0.731 41.503 42.059 0.292 0.000 0.913 189 L HN 0.211 nan 8.230 nan 0.000 0.440 190 G N 0.007 108.884 108.800 0.129 0.000 2.701 190 G HA2 -0.345 3.672 3.960 0.096 0.000 0.215 190 G HA3 -0.345 3.672 3.960 0.096 0.000 0.215 190 G C 1.272 176.195 174.900 0.039 0.000 1.297 190 G CA 0.930 46.072 45.100 0.072 0.000 0.807 190 G HN 0.635 nan 8.290 nan 0.000 0.608 191 E N -0.657 119.582 120.200 0.064 0.000 2.106 191 E HA -0.102 4.305 4.350 0.096 0.000 0.192 191 E C 2.259 178.876 176.600 0.030 0.000 0.984 191 E CA 0.967 57.397 56.400 0.051 0.000 0.806 191 E CB -0.507 29.246 29.700 0.088 0.000 0.750 191 E HN 0.342 nan 8.360 nan 0.000 0.458 192 F N 2.128 121.991 119.950 -0.146 0.000 2.307 192 F HA -0.024 4.548 4.527 0.075 0.000 0.301 192 F C 2.198 177.796 175.800 -0.336 0.000 1.076 192 F CA 0.921 58.740 58.000 -0.302 0.000 1.383 192 F CB -0.267 38.356 39.000 -0.628 0.000 1.055 192 F HN 0.124 nan 8.300 nan 0.000 0.526 193 A N -0.176 122.465 122.820 -0.299 0.000 1.970 193 A HA -0.107 4.271 4.320 0.096 0.000 0.216 193 A C 2.255 179.667 177.584 -0.286 0.000 1.170 193 A CA 1.141 52.978 52.037 -0.333 0.000 0.645 193 A CB -0.465 18.434 19.000 -0.168 0.000 0.816 193 A HN 0.396 nan 8.150 nan 0.000 0.447 194 K N 0.028 120.310 120.400 -0.197 0.000 2.097 194 K HA -0.089 4.288 4.320 0.096 0.000 0.205 194 K C 1.713 178.221 176.600 -0.152 0.000 1.050 194 K CA 1.563 57.768 56.287 -0.137 0.000 0.938 194 K CB -0.324 32.133 32.500 -0.072 0.000 0.718 194 K HN 0.517 nan 8.250 nan 0.000 0.442 195 V N -0.482 119.302 119.914 -0.216 0.000 3.306 195 V HA 0.068 4.245 4.120 0.096 0.000 0.264 195 V C 1.019 176.999 176.094 -0.191 0.000 1.149 195 V CA 0.401 62.605 62.300 -0.160 0.000 1.143 195 V CB -0.734 31.029 31.823 -0.100 0.000 0.767 195 V HN 0.049 nan 8.190 nan 0.000 0.476 196 L N 1.688 122.680 121.223 -0.385 0.000 2.468 196 L HA 0.430 4.827 4.340 0.096 0.000 0.254 196 L C 0.366 177.168 176.870 -0.114 0.000 1.171 196 L CA -0.399 54.264 54.840 -0.295 0.000 0.809 196 L CB 0.472 42.247 42.059 -0.473 0.000 1.155 196 L HN 0.327 nan 8.230 nan 0.000 0.473 197 E N 1.755 121.931 120.200 -0.041 0.000 2.133 197 E HA 0.174 4.582 4.350 0.096 0.000 0.274 197 E C 0.683 177.261 176.600 -0.037 0.000 0.930 197 E CA -0.786 55.597 56.400 -0.028 0.000 0.770 197 E CB 1.968 31.670 29.700 0.002 0.000 1.104 197 E HN 0.405 nan 8.360 nan 0.000 0.403 198 L N 1.977 123.174 121.223 -0.045 0.000 2.402 198 L HA -0.398 3.999 4.340 0.096 0.000 0.240 198 L C 1.488 178.339 176.870 -0.032 0.000 1.135 198 L CA 2.765 57.580 54.840 -0.042 0.000 0.830 198 L CB -1.497 40.542 42.059 -0.033 0.000 0.988 198 L HN 0.613 nan 8.230 nan 0.000 0.428 199 D N -0.440 119.950 120.400 -0.017 0.000 2.204 199 D HA -0.202 4.495 4.640 0.096 0.000 0.189 199 D C 1.872 178.169 176.300 -0.005 0.000 1.006 199 D CA 1.664 55.660 54.000 -0.006 0.000 0.855 199 D CB -0.308 40.494 40.800 0.003 0.000 0.946 199 D HN 0.465 nan 8.370 nan 0.000 0.448 200 N N 0.130 118.826 118.700 -0.007 0.000 2.006 200 N HA -0.130 4.668 4.740 0.096 0.000 0.196 200 N C 2.167 177.658 175.510 -0.032 0.000 1.057 200 N CA 1.083 54.128 53.050 -0.009 0.000 0.853 200 N CB -0.809 37.666 38.487 -0.021 0.000 1.051 200 N HN 0.072 nan 8.380 nan 0.000 0.423 201 V N 1.911 121.782 119.914 -0.072 0.000 2.495 201 V HA -0.277 3.901 4.120 0.096 0.000 0.260 201 V C 2.224 178.291 176.094 -0.046 0.000 1.097 201 V CA 1.711 63.961 62.300 -0.083 0.000 1.105 201 V CB -0.484 31.275 31.823 -0.107 0.000 0.678 201 V HN 0.357 nan 8.190 nan 0.000 0.469 202 K N 0.226 120.609 120.400 -0.028 0.000 2.078 202 K HA -0.010 4.367 4.320 0.096 0.000 0.203 202 K C 1.971 178.578 176.600 0.011 0.000 1.043 202 K CA 1.355 57.635 56.287 -0.012 0.000 0.960 202 K CB -0.163 32.330 32.500 -0.011 0.000 0.761 202 K HN 0.616 nan 8.250 nan 0.000 0.448 203 S N 0.137 115.846 115.700 0.015 0.000 2.660 203 S HA 0.159 4.686 4.470 0.096 0.000 0.227 203 S C 0.718 175.345 174.600 0.044 0.000 0.948 203 S CA 0.108 58.326 58.200 0.030 0.000 0.948 203 S CB 0.228 63.444 63.200 0.027 0.000 0.779 203 S HN 0.208 nan 8.310 nan 0.000 0.487 204 E N -0.301 119.926 120.200 0.046 0.000 3.706 204 E HA 0.267 4.674 4.350 0.096 0.000 0.266 204 E C 1.195 177.849 176.600 0.090 0.000 1.251 204 E CA -0.208 56.235 56.400 0.072 0.000 1.870 204 E CB -0.132 29.610 29.700 0.071 0.000 1.842 204 E HN 0.138 nan 8.360 nan 0.000 0.862 205 I N 2.420 123.020 120.570 0.050 0.000 2.053 205 I HA -0.306 3.921 4.170 0.096 0.000 0.236 205 I C 2.343 178.544 176.117 0.141 0.000 1.038 205 I CA 1.507 62.849 61.300 0.070 0.000 1.304 205 I CB -1.009 36.975 38.000 -0.026 0.000 1.023 205 I HN 0.296 nan 8.210 nan 0.000 0.395 206 I N 0.803 121.433 120.570 0.099 0.000 2.130 206 I HA -0.290 3.937 4.170 0.096 0.000 0.241 206 I C 0.048 176.299 176.117 0.224 0.000 1.023 206 I CA 2.482 63.883 61.300 0.168 0.000 1.293 206 I CB -2.965 35.086 38.000 0.086 0.000 1.001 206 I HN 0.179 nan 8.210 nan 0.000 0.407 207 P HA -0.160 nan 4.420 nan 0.000 0.215 207 P C 2.225 179.590 177.300 0.108 0.000 1.157 207 P CA 1.635 64.799 63.100 0.107 0.000 0.868 207 P CB -0.076 31.673 31.700 0.082 0.000 0.788 208 M N -2.472 117.212 119.600 0.141 0.000 2.065 208 M HA -0.169 4.369 4.480 0.096 0.000 0.259 208 M C 2.114 178.493 176.300 0.131 0.000 1.069 208 M CA 1.846 57.230 55.300 0.140 0.000 1.110 208 M CB -1.037 31.693 32.600 0.216 0.000 1.328 208 M HN -0.102 nan 8.290 nan 0.000 0.405 209 F N 0.603 120.587 119.950 0.058 0.000 2.154 209 F HA -0.277 4.306 4.527 0.092 0.000 0.301 209 F C 2.619 178.435 175.800 0.025 0.000 1.087 209 F CA 1.990 60.015 58.000 0.041 0.000 1.274 209 F CB -0.524 38.494 39.000 0.029 0.000 1.009 209 F HN 0.116 nan 8.300 nan 0.000 0.485 210 S N 0.159 115.783 115.700 -0.126 0.000 2.329 210 S HA -0.207 4.320 4.470 0.096 0.000 0.215 210 S C 1.870 176.357 174.600 -0.189 0.000 1.031 210 S CA 1.589 59.661 58.200 -0.213 0.000 0.985 210 S CB -0.865 62.328 63.200 -0.012 0.000 0.917 210 S HN 0.665 nan 8.310 nan 0.000 0.441 211 N N 0.915 119.563 118.700 -0.086 0.000 2.049 211 N HA -0.161 4.636 4.740 0.096 0.000 0.198 211 N C 1.883 177.331 175.510 -0.104 0.000 1.030 211 N CA 1.771 54.779 53.050 -0.071 0.000 0.870 211 N CB -0.435 38.033 38.487 -0.032 0.000 1.045 211 N HN 0.339 nan 8.380 nan 0.000 0.434 212 L N 0.712 121.865 121.223 -0.116 0.000 2.083 212 L HA -0.122 4.275 4.340 0.096 0.000 0.209 212 L C 2.458 179.220 176.870 -0.181 0.000 1.083 212 L CA 0.788 55.554 54.840 -0.123 0.000 0.752 212 L CB -0.381 41.630 42.059 -0.080 0.000 0.899 212 L HN 0.231 nan 8.230 nan 0.000 0.433 213 A N -1.021 121.613 122.820 -0.310 0.000 2.172 213 A HA -0.092 4.286 4.320 0.096 0.000 0.216 213 A C 1.932 179.399 177.584 -0.196 0.000 1.154 213 A CA 1.592 53.431 52.037 -0.331 0.000 0.701 213 A CB -0.264 18.381 19.000 -0.592 0.000 0.789 213 A HN 0.460 nan 8.150 nan 0.000 0.465 214 S N -0.400 115.207 115.700 -0.156 0.000 2.730 214 S HA 0.119 4.646 4.470 0.096 0.000 0.244 214 S C 0.100 174.652 174.600 -0.080 0.000 1.022 214 S CA -0.513 57.626 58.200 -0.101 0.000 1.014 214 S CB -0.045 63.104 63.200 -0.085 0.000 0.963 214 S HN 0.608 nan 8.310 nan 0.000 0.540 215 D N 2.461 122.809 120.400 -0.087 0.000 2.419 215 D HA -0.044 4.653 4.640 0.096 0.000 0.236 215 D C 1.139 177.401 176.300 -0.063 0.000 1.165 215 D CA 0.254 54.211 54.000 -0.072 0.000 0.882 215 D CB 0.796 41.549 40.800 -0.077 0.000 1.201 215 D HN 0.340 nan 8.370 nan 0.000 0.443 216 E N 1.508 121.675 120.200 -0.055 0.000 2.086 216 E HA -0.271 4.137 4.350 0.096 0.000 0.200 216 E C 0.033 176.602 176.600 -0.052 0.000 1.012 216 E CA 1.118 57.489 56.400 -0.048 0.000 0.812 216 E CB 0.117 29.790 29.700 -0.044 0.000 0.743 216 E HN 0.358 nan 8.360 nan 0.000 0.453 217 Q N 1.325 121.089 119.800 -0.061 0.000 2.286 217 Q HA -0.030 4.367 4.340 0.096 0.000 0.267 217 Q C 0.236 176.192 176.000 -0.073 0.000 1.028 217 Q CA 0.462 56.225 55.803 -0.066 0.000 0.901 217 Q CB 1.287 29.980 28.738 -0.075 0.000 1.183 217 Q HN 0.347 nan 8.270 nan 0.000 0.392 218 D N 0.497 120.853 120.400 -0.073 0.000 2.218 218 D HA -0.180 4.518 4.640 0.096 0.000 0.204 218 D C 0.898 177.135 176.300 -0.104 0.000 0.976 218 D CA 1.259 55.206 54.000 -0.089 0.000 0.853 218 D CB -0.187 40.556 40.800 -0.095 0.000 0.939 218 D HN 0.487 nan 8.370 nan 0.000 0.481 219 S N -0.193 115.448 115.700 -0.099 0.000 2.595 219 S HA -0.005 4.522 4.470 0.096 0.000 0.235 219 S C 1.772 176.320 174.600 -0.086 0.000 0.974 219 S CA 0.466 58.606 58.200 -0.099 0.000 0.942 219 S CB -0.096 63.049 63.200 -0.091 0.000 0.766 219 S HN 0.252 nan 8.310 nan 0.000 0.536 220 V N 0.664 120.528 119.914 -0.083 0.000 3.090 220 V HA 0.173 4.351 4.120 0.096 0.000 0.237 220 V C 2.517 178.565 176.094 -0.076 0.000 1.209 220 V CA 0.200 62.455 62.300 -0.076 0.000 1.209 220 V CB -0.466 31.309 31.823 -0.080 0.000 0.971 220 V HN 0.302 nan 8.190 nan 0.000 0.477 221 R N 0.549 120.997 120.500 -0.087 0.000 2.105 221 R HA -0.156 4.241 4.340 0.096 0.000 0.239 221 R C 2.312 178.565 176.300 -0.078 0.000 1.135 221 R CA 1.847 57.888 56.100 -0.098 0.000 0.967 221 R CB -0.651 29.593 30.300 -0.094 0.000 0.861 221 R HN 0.449 nan 8.270 nan 0.000 0.442 222 L N 0.909 122.087 121.223 -0.075 0.000 1.956 222 L HA -0.229 4.169 4.340 0.096 0.000 0.216 222 L C 2.155 179.008 176.870 -0.029 0.000 1.073 222 L CA 1.498 56.301 54.840 -0.062 0.000 0.762 222 L CB -0.365 41.637 42.059 -0.096 0.000 0.889 222 L HN 0.188 nan 8.230 nan 0.000 0.433 223 L N -0.053 121.151 121.223 -0.032 0.000 2.261 223 L HA -0.205 4.193 4.340 0.096 0.000 0.216 223 L C 2.706 179.591 176.870 0.025 0.000 1.114 223 L CA 1.737 56.575 54.840 -0.003 0.000 0.777 223 L CB -1.759 40.292 42.059 -0.013 0.000 0.910 223 L HN 0.504 nan 8.230 nan 0.000 0.440 224 A N -0.518 122.302 122.820 0.000 0.000 1.832 224 A HA -0.139 4.238 4.320 0.096 0.000 0.214 224 A C 2.334 179.989 177.584 0.119 0.000 1.200 224 A CA 1.622 53.669 52.037 0.017 0.000 0.610 224 A CB -0.845 18.071 19.000 -0.141 0.000 0.842 224 A HN 0.165 nan 8.150 nan 0.000 0.444 225 V N 0.678 120.633 119.914 0.067 0.000 2.313 225 V HA -0.367 3.810 4.120 0.096 0.000 0.253 225 V C 2.612 178.795 176.094 0.150 0.000 1.070 225 V CA 2.775 65.160 62.300 0.141 0.000 1.057 225 V CB -1.020 30.846 31.823 0.072 0.000 0.653 225 V HN 0.802 nan 8.190 nan 0.000 0.450 226 E N 0.880 121.139 120.200 0.098 0.000 2.086 226 E HA -0.278 4.129 4.350 0.096 0.000 0.200 226 E C 2.087 178.744 176.600 0.095 0.000 1.012 226 E CA 2.044 58.492 56.400 0.080 0.000 0.812 226 E CB -0.591 29.145 29.700 0.060 0.000 0.743 226 E HN 0.563 nan 8.360 nan 0.000 0.453 227 A N 0.326 123.230 122.820 0.140 0.000 1.940 227 A HA -0.242 4.135 4.320 0.096 0.000 0.219 227 A C 2.648 180.269 177.584 0.062 0.000 1.176 227 A CA 1.517 53.633 52.037 0.132 0.000 0.631 227 A CB -1.479 17.654 19.000 0.222 0.000 0.814 227 A HN 0.601 nan 8.150 nan 0.000 0.446 228 C N -0.938 118.445 119.300 0.139 0.000 2.304 228 C HA -0.241 4.276 4.460 0.096 0.000 0.269 228 C C 2.618 177.541 174.990 -0.111 0.000 1.136 228 C CA 1.857 60.851 59.018 -0.040 0.000 1.796 228 C CB -1.536 26.289 27.740 0.141 0.000 2.017 228 C HN 0.490 nan 8.230 nan 0.000 0.431 229 V N 1.833 121.721 119.914 -0.043 0.000 2.222 229 V HA -0.312 3.865 4.120 0.096 0.000 0.252 229 V C 2.087 178.135 176.094 -0.077 0.000 1.060 229 V CA 2.910 65.175 62.300 -0.058 0.000 1.027 229 V CB -1.102 30.702 31.823 -0.032 0.000 0.644 229 V HN 0.641 nan 8.190 nan 0.000 0.448 230 N N 0.046 118.710 118.700 -0.060 0.000 2.137 230 N HA -0.150 4.648 4.740 0.096 0.000 0.190 230 N C 1.629 177.077 175.510 -0.103 0.000 1.017 230 N CA 1.710 54.721 53.050 -0.064 0.000 0.859 230 N CB -0.426 38.038 38.487 -0.038 0.000 1.002 230 N HN 0.499 nan 8.380 nan 0.000 0.428 231 I N 0.731 121.208 120.570 -0.156 0.000 2.090 231 I HA -0.253 3.974 4.170 0.096 0.000 0.236 231 I C 2.279 178.279 176.117 -0.195 0.000 1.064 231 I CA 1.211 62.379 61.300 -0.221 0.000 1.324 231 I CB -0.591 37.158 38.000 -0.418 0.000 1.044 231 I HN 0.146 nan 8.210 nan 0.000 0.399 232 A N -0.039 122.655 122.820 -0.209 0.000 2.093 232 A HA -0.260 4.117 4.320 0.096 0.000 0.222 232 A C 2.030 179.550 177.584 -0.108 0.000 1.162 232 A CA 1.574 53.519 52.037 -0.153 0.000 0.655 232 A CB -0.704 18.215 19.000 -0.136 0.000 0.805 232 A HN 0.589 nan 8.150 nan 0.000 0.461 233 Q N -1.266 118.475 119.800 -0.098 0.000 2.322 233 Q HA 0.306 4.703 4.340 0.096 0.000 0.203 233 Q C 0.217 176.174 176.000 -0.071 0.000 0.923 233 Q CA 0.140 55.899 55.803 -0.074 0.000 0.949 233 Q CB 0.060 28.761 28.738 -0.061 0.000 1.039 233 Q HN 0.668 nan 8.270 nan 0.000 0.496 234 L N 0.033 121.205 121.223 -0.085 0.000 3.333 234 L HA 0.329 4.726 4.340 0.096 0.000 0.299 234 L C -0.713 176.112 176.870 -0.076 0.000 1.256 234 L CA 0.035 54.828 54.840 -0.079 0.000 1.037 234 L CB 0.788 42.791 42.059 -0.092 0.000 1.423 234 L HN 0.050 nan 8.230 nan 0.000 0.605 235 L N 1.318 122.497 121.223 -0.074 0.000 2.438 235 L HA 0.527 4.925 4.340 0.096 0.000 0.270 235 L C -2.406 174.432 176.870 -0.053 0.000 0.972 235 L CA -1.677 53.125 54.840 -0.065 0.000 0.831 235 L CB 2.369 44.383 42.059 -0.075 0.000 1.273 235 L HN -0.173 nan 8.230 nan 0.000 0.405 236 P HA -0.015 nan 4.420 nan 0.000 0.271 236 P C 0.273 177.553 177.300 -0.035 0.000 1.216 236 P CA -0.207 62.872 63.100 -0.036 0.000 0.776 236 P CB 1.204 32.886 31.700 -0.029 0.000 0.881 237 Q N 2.493 122.273 119.800 -0.033 0.000 2.146 237 Q HA -0.305 4.092 4.340 0.096 0.000 0.217 237 Q C 1.387 177.372 176.000 -0.025 0.000 1.023 237 Q CA 2.646 58.431 55.803 -0.030 0.000 0.903 237 Q CB -0.486 28.236 28.738 -0.027 0.000 0.990 237 Q HN 0.477 nan 8.270 nan 0.000 0.413 238 E N 0.664 120.851 120.200 -0.021 0.000 2.149 238 E HA -0.226 4.182 4.350 0.096 0.000 0.215 238 E C 1.774 178.364 176.600 -0.015 0.000 1.055 238 E CA 2.088 58.478 56.400 -0.016 0.000 0.870 238 E CB -0.297 29.394 29.700 -0.015 0.000 0.764 238 E HN 0.549 nan 8.360 nan 0.000 0.463 239 D N -0.274 120.115 120.400 -0.020 0.000 2.162 239 D HA -0.039 4.659 4.640 0.096 0.000 0.203 239 D C 2.175 178.463 176.300 -0.020 0.000 0.967 239 D CA 0.514 54.502 54.000 -0.019 0.000 0.840 239 D CB -0.108 40.677 40.800 -0.025 0.000 0.972 239 D HN 0.154 nan 8.370 nan 0.000 0.482 240 L N 1.133 122.338 121.223 -0.030 0.000 2.034 240 L HA -0.262 4.136 4.340 0.096 0.000 0.217 240 L C 2.531 179.392 176.870 -0.014 0.000 1.077 240 L CA 1.382 56.202 54.840 -0.033 0.000 0.769 240 L CB -0.606 41.428 42.059 -0.042 0.000 0.890 240 L HN 0.016 nan 8.230 nan 0.000 0.435 241 E N 0.471 120.666 120.200 -0.008 0.000 2.209 241 E HA -0.197 4.210 4.350 0.096 0.000 0.196 241 E C 1.910 178.517 176.600 0.011 0.000 0.993 241 E CA 1.564 57.965 56.400 0.003 0.000 0.819 241 E CB -0.025 29.677 29.700 0.002 0.000 0.745 241 E HN 0.433 nan 8.360 nan 0.000 0.477 242 A N -0.685 122.139 122.820 0.007 0.000 2.044 242 A HA 0.204 4.582 4.320 0.096 0.000 0.213 242 A C 1.979 179.576 177.584 0.023 0.000 1.169 242 A CA 0.545 52.591 52.037 0.014 0.000 0.724 242 A CB 0.021 19.026 19.000 0.008 0.000 0.840 242 A HN 0.284 nan 8.150 nan 0.000 0.463 243 L N -1.688 119.546 121.223 0.017 0.000 2.546 243 L HA 0.075 4.472 4.340 0.096 0.000 0.182 243 L C 2.307 179.214 176.870 0.062 0.000 1.167 243 L CA 0.407 55.266 54.840 0.032 0.000 0.845 243 L CB -0.528 41.530 42.059 -0.003 0.000 1.134 243 L HN 0.119 nan 8.230 nan 0.000 0.500 244 V N 0.093 120.013 119.914 0.010 0.000 2.307 244 V HA -0.253 3.925 4.120 0.096 0.000 0.245 244 V C 2.655 178.806 176.094 0.094 0.000 1.045 244 V CA 1.386 63.701 62.300 0.024 0.000 1.024 244 V CB -0.424 31.349 31.823 -0.083 0.000 0.651 244 V HN 0.327 nan 8.190 nan 0.000 0.449 245 M N -0.475 119.156 119.600 0.052 0.000 2.088 245 M HA -0.135 4.403 4.480 0.096 0.000 0.256 245 M C 0.204 176.548 176.300 0.072 0.000 1.071 245 M CA 2.117 57.450 55.300 0.055 0.000 1.097 245 M CB -2.827 29.792 32.600 0.033 0.000 1.315 245 M HN 0.244 nan 8.290 nan 0.000 0.406 246 P HA -0.127 nan 4.420 nan 0.000 0.215 246 P C 1.594 178.937 177.300 0.072 0.000 1.157 246 P CA 1.746 64.884 63.100 0.063 0.000 0.874 246 P CB -0.277 31.459 31.700 0.059 0.000 0.790 247 T N 0.057 114.678 114.554 0.113 0.000 2.588 247 T HA -0.152 4.255 4.350 0.096 0.000 0.261 247 T C 1.710 176.473 174.700 0.106 0.000 1.069 247 T CA 1.175 63.337 62.100 0.103 0.000 1.172 247 T CB -1.205 67.806 68.868 0.238 0.000 0.863 247 T HN -0.012 nan 8.240 nan 0.000 0.408 248 L N 1.254 122.580 121.223 0.172 0.000 2.051 248 L HA -0.160 4.237 4.340 0.096 0.000 0.214 248 L C 2.494 179.421 176.870 0.095 0.000 1.076 248 L CA 1.833 56.755 54.840 0.138 0.000 0.758 248 L CB -0.504 41.621 42.059 0.111 0.000 0.890 248 L HN 0.122 nan 8.230 nan 0.000 0.433 249 R N -1.281 119.268 120.500 0.081 0.000 2.080 249 R HA -0.239 4.158 4.340 0.096 0.000 0.236 249 R C 2.369 178.706 176.300 0.061 0.000 1.137 249 R CA 1.738 57.880 56.100 0.071 0.000 0.943 249 R CB -0.374 29.962 30.300 0.059 0.000 0.846 249 R HN 0.441 nan 8.270 nan 0.000 0.431 250 Q N 0.531 120.359 119.800 0.047 0.000 2.096 250 Q HA -0.158 4.240 4.340 0.096 0.000 0.204 250 Q C 1.752 177.770 176.000 0.030 0.000 0.982 250 Q CA 2.222 58.043 55.803 0.029 0.000 0.850 250 Q CB -0.470 28.273 28.738 0.008 0.000 0.901 250 Q HN 0.369 nan 8.270 nan 0.000 0.422 251 A N 0.764 123.605 122.820 0.036 0.000 1.859 251 A HA -0.210 4.168 4.320 0.096 0.000 0.218 251 A C 2.384 180.002 177.584 0.056 0.000 1.209 251 A CA 3.007 55.067 52.037 0.039 0.000 0.639 251 A CB -1.678 17.359 19.000 0.061 0.000 0.835 251 A HN 0.665 nan 8.150 nan 0.000 0.450 252 A N -0.783 122.086 122.820 0.082 0.000 2.009 252 A HA -0.287 4.090 4.320 0.096 0.000 0.222 252 A C 1.915 179.540 177.584 0.068 0.000 1.175 252 A CA 2.190 54.281 52.037 0.091 0.000 0.651 252 A CB -0.634 18.438 19.000 0.120 0.000 0.815 252 A HN 0.729 nan 8.150 nan 0.000 0.459 253 E N -0.516 119.718 120.200 0.056 0.000 2.250 253 E HA -0.035 4.373 4.350 0.096 0.000 0.192 253 E C 0.104 176.729 176.600 0.042 0.000 0.986 253 E CA -0.099 56.329 56.400 0.046 0.000 0.849 253 E CB -0.046 29.677 29.700 0.038 0.000 0.797 253 E HN 0.595 nan 8.360 nan 0.000 0.482 254 D N 1.715 122.135 120.400 0.034 0.000 3.360 254 D HA -0.189 4.509 4.640 0.096 0.000 0.192 254 D C 0.854 177.174 176.300 0.033 0.000 1.037 254 D CA 0.810 54.823 54.000 0.022 0.000 0.720 254 D CB 0.659 41.464 40.800 0.008 0.000 1.140 254 D HN 0.017 nan 8.370 nan 0.000 0.529 255 K N 1.280 121.693 120.400 0.023 0.000 2.074 255 K HA -0.171 4.206 4.320 0.096 0.000 0.209 255 K C 0.843 177.476 176.600 0.056 0.000 1.048 255 K CA 0.822 57.130 56.287 0.035 0.000 0.926 255 K CB -0.085 32.426 32.500 0.018 0.000 0.713 255 K HN 0.262 nan 8.250 nan 0.000 0.444 256 S N 1.067 116.778 115.700 0.018 0.000 2.448 256 S HA 0.019 4.547 4.470 0.096 0.000 0.279 256 S C 1.220 175.813 174.600 -0.012 0.000 1.195 256 S CA -0.860 57.329 58.200 -0.017 0.000 1.051 256 S CB 0.200 63.327 63.200 -0.122 0.000 0.948 256 S HN 0.419 nan 8.310 nan 0.000 0.493 257 W N 6.493 127.809 121.300 0.026 0.000 2.321 257 W HA -0.220 4.498 4.660 0.097 0.000 0.306 257 W C 1.276 177.844 176.519 0.082 0.000 1.217 257 W CA 0.937 58.311 57.345 0.049 0.000 1.257 257 W CB -1.005 28.478 29.460 0.038 0.000 1.145 257 W HN 0.719 nan 8.180 nan 0.000 0.509 258 R N 0.827 120.625 120.500 -1.171 0.000 2.133 258 R HA -0.172 4.225 4.340 0.096 0.000 0.247 258 R C 2.348 178.457 176.300 -0.319 0.000 1.151 258 R CA 2.423 57.877 56.100 -1.077 0.000 0.971 258 R CB -0.709 28.980 30.300 -1.018 0.000 0.866 258 R HN 0.162 nan 8.270 nan 0.000 0.447 259 V N 0.731 120.530 119.914 -0.193 0.000 2.379 259 V HA -0.190 3.988 4.120 0.096 0.000 0.245 259 V C 2.276 178.390 176.094 0.032 0.000 1.044 259 V CA 1.568 63.834 62.300 -0.057 0.000 1.036 259 V CB -0.460 31.332 31.823 -0.052 0.000 0.664 259 V HN 0.310 nan 8.190 nan 0.000 0.453 260 R N -0.800 119.742 120.500 0.070 0.000 2.091 260 R HA -0.219 4.179 4.340 0.096 0.000 0.238 260 R C 2.312 178.686 176.300 0.124 0.000 1.136 260 R CA 2.070 58.233 56.100 0.106 0.000 0.959 260 R CB -0.712 29.672 30.300 0.140 0.000 0.856 260 R HN 0.606 nan 8.270 nan 0.000 0.437 261 Y N 1.287 121.626 120.300 0.065 0.000 2.128 261 Y HA -0.276 4.331 4.550 0.095 0.000 0.284 261 Y C 2.480 178.405 175.900 0.041 0.000 1.154 261 Y CA 1.561 59.714 58.100 0.087 0.000 1.149 261 Y CB -0.122 38.393 38.460 0.092 0.000 0.976 261 Y HN -0.092 nan 8.280 nan 0.000 0.505 262 M N -0.388 119.300 119.600 0.146 0.000 2.073 262 M HA -0.244 4.293 4.480 0.096 0.000 0.258 262 M C 2.160 178.466 176.300 0.009 0.000 1.070 262 M CA 1.794 57.137 55.300 0.072 0.000 1.103 262 M CB -1.266 31.375 32.600 0.068 0.000 1.321 262 M HN 0.261 nan 8.290 nan 0.000 0.405 263 V N 0.121 120.062 119.914 0.045 0.000 2.255 263 V HA -0.282 3.895 4.120 0.096 0.000 0.247 263 V C 2.624 178.785 176.094 0.112 0.000 1.051 263 V CA 1.978 64.339 62.300 0.101 0.000 1.018 263 V CB -1.851 30.050 31.823 0.130 0.000 0.641 263 V HN 0.527 nan 8.190 nan 0.000 0.445 264 A N 0.417 123.220 122.820 -0.029 0.000 1.849 264 A HA -0.368 4.009 4.320 0.096 0.000 0.217 264 A C 2.067 179.570 177.584 -0.136 0.000 1.202 264 A CA 2.548 54.494 52.037 -0.152 0.000 0.629 264 A CB -1.115 17.762 19.000 -0.205 0.000 0.834 264 A HN 0.572 nan 8.150 nan 0.000 0.447 265 D N -0.714 119.504 120.400 -0.302 0.000 2.158 265 D HA -0.131 4.566 4.640 0.096 0.000 0.197 265 D C 1.414 177.668 176.300 -0.076 0.000 0.995 265 D CA 1.411 55.259 54.000 -0.255 0.000 0.846 265 D CB 0.018 40.582 40.800 -0.393 0.000 0.941 265 D HN 0.395 nan 8.370 nan 0.000 0.456 266 K N -0.478 119.909 120.400 -0.021 0.000 2.446 266 K HA 0.013 4.390 4.320 0.096 0.000 0.203 266 K C 0.967 177.588 176.600 0.035 0.000 1.027 266 K CA -0.321 55.972 56.287 0.010 0.000 1.166 266 K CB 0.063 32.570 32.500 0.011 0.000 0.869 266 K HN 0.215 nan 8.250 nan 0.000 0.504 267 F N 2.770 122.635 119.950 -0.142 0.000 2.095 267 F HA -0.298 4.286 4.527 0.096 0.000 0.298 267 F C 2.648 178.357 175.800 -0.151 0.000 1.104 267 F CA 2.213 60.092 58.000 -0.202 0.000 1.232 267 F CB -0.479 38.298 39.000 -0.372 0.000 0.987 267 F HN 0.166 nan 8.300 nan 0.000 0.475 268 T N -2.367 112.193 114.554 0.010 0.000 2.701 268 T HA -0.207 4.201 4.350 0.096 0.000 0.263 268 T C 1.790 176.462 174.700 -0.047 0.000 1.040 268 T CA 1.518 63.620 62.100 0.002 0.000 1.147 268 T CB -0.853 68.044 68.868 0.048 0.000 0.865 268 T HN 0.423 nan 8.240 nan 0.000 0.426 269 E N 1.399 121.578 120.200 -0.036 0.000 2.114 269 E HA -0.124 4.283 4.350 0.096 0.000 0.199 269 E C 2.292 178.847 176.600 -0.074 0.000 1.008 269 E CA 1.465 57.840 56.400 -0.042 0.000 0.810 269 E CB -0.537 29.147 29.700 -0.027 0.000 0.739 269 E HN 0.493 nan 8.360 nan 0.000 0.456 270 L N 0.715 121.867 121.223 -0.117 0.000 2.017 270 L HA -0.234 4.163 4.340 0.096 0.000 0.208 270 L C 2.805 179.576 176.870 -0.165 0.000 1.073 270 L CA 1.215 55.964 54.840 -0.152 0.000 0.745 270 L CB -0.484 41.442 42.059 -0.221 0.000 0.894 270 L HN 0.225 nan 8.230 nan 0.000 0.432 271 Q N 0.723 120.401 119.800 -0.202 0.000 1.943 271 Q HA -0.347 4.050 4.340 0.096 0.000 0.213 271 Q C 2.223 178.167 176.000 -0.092 0.000 1.017 271 Q CA 2.482 58.204 55.803 -0.134 0.000 0.874 271 Q CB -0.205 28.497 28.738 -0.058 0.000 0.960 271 Q HN 0.246 nan 8.270 nan 0.000 0.417 272 K N -0.682 119.675 120.400 -0.071 0.000 2.362 272 K HA -0.210 4.168 4.320 0.096 0.000 0.202 272 K C 1.575 178.140 176.600 -0.059 0.000 1.045 272 K CA 1.075 57.328 56.287 -0.057 0.000 0.936 272 K CB -0.085 32.389 32.500 -0.043 0.000 0.747 272 K HN 0.330 nan 8.250 nan 0.000 0.467 273 A N 0.393 123.171 122.820 -0.070 0.000 1.850 273 A HA 0.021 4.398 4.320 0.096 0.000 0.212 273 A C 1.815 179.357 177.584 -0.071 0.000 1.208 273 A CA 0.819 52.815 52.037 -0.069 0.000 0.609 273 A CB -0.506 18.448 19.000 -0.076 0.000 0.860 273 A HN 0.085 nan 8.150 nan 0.000 0.448 274 V N -0.317 119.549 119.914 -0.080 0.000 2.205 274 V HA 0.320 4.497 4.120 0.096 0.000 0.160 274 V C 1.373 177.432 176.094 -0.059 0.000 0.831 274 V CA 1.049 63.307 62.300 -0.071 0.000 1.186 274 V CB -1.341 30.435 31.823 -0.078 0.000 0.727 274 V HN 0.810 nan 8.190 nan 0.000 0.457 275 G N -1.999 106.768 108.800 -0.055 0.000 2.608 275 G HA2 0.492 4.509 3.960 0.096 0.000 0.291 275 G HA3 0.492 4.509 3.960 0.096 0.000 0.291 275 G C -2.641 172.229 174.900 -0.049 0.000 1.425 275 G CA 0.167 45.238 45.100 -0.048 0.000 0.787 275 G HN 0.289 nan 8.290 nan 0.000 0.484 276 P HA -0.015 nan 4.420 nan 0.000 0.225 276 P C 0.883 178.158 177.300 -0.042 0.000 1.156 276 P CA 1.050 64.117 63.100 -0.054 0.000 0.787 276 P CB 0.769 32.437 31.700 -0.052 0.000 0.802 277 E N -0.267 119.916 120.200 -0.028 0.000 2.127 277 E HA -0.024 4.383 4.350 0.096 0.000 0.191 277 E C 1.900 178.497 176.600 -0.006 0.000 0.964 277 E CA 0.261 56.651 56.400 -0.016 0.000 0.832 277 E CB -0.203 29.489 29.700 -0.012 0.000 0.790 277 E HN 0.026 nan 8.360 nan 0.000 0.465 278 I N 1.269 121.834 120.570 -0.009 0.000 2.423 278 I HA -0.229 3.999 4.170 0.096 0.000 0.254 278 I C 2.259 178.382 176.117 0.011 0.000 1.151 278 I CA 1.107 62.407 61.300 -0.001 0.000 1.421 278 I CB -0.775 37.218 38.000 -0.013 0.000 1.079 278 I HN 0.031 nan 8.210 nan 0.000 0.431 279 T N 0.461 115.016 114.554 0.002 0.000 2.652 279 T HA -0.264 4.143 4.350 0.096 0.000 0.267 279 T C 1.958 176.714 174.700 0.094 0.000 1.039 279 T CA 1.805 63.923 62.100 0.030 0.000 1.153 279 T CB -0.190 68.666 68.868 -0.020 0.000 0.863 279 T HN 0.397 nan 8.240 nan 0.000 0.428 280 K N 0.084 120.520 120.400 0.059 0.000 2.243 280 K HA -0.003 4.374 4.320 0.096 0.000 0.201 280 K C 2.183 178.831 176.600 0.080 0.000 1.051 280 K CA 0.847 57.185 56.287 0.084 0.000 0.970 280 K CB 0.013 32.540 32.500 0.045 0.000 0.755 280 K HN 0.220 nan 8.250 nan 0.000 0.465 281 T N 0.983 115.571 114.554 0.055 0.000 2.857 281 T HA -0.068 4.340 4.350 0.096 0.000 0.266 281 T C 0.929 175.667 174.700 0.062 0.000 1.048 281 T CA 1.300 63.429 62.100 0.049 0.000 1.139 281 T CB 0.041 68.928 68.868 0.031 0.000 0.874 281 T HN 0.287 nan 8.240 nan 0.000 0.455 282 D N -0.259 120.183 120.400 0.070 0.000 3.099 282 D HA 0.263 4.960 4.640 0.096 0.000 0.291 282 D C 2.238 178.611 176.300 0.121 0.000 1.209 282 D CA 0.035 54.083 54.000 0.080 0.000 1.032 282 D CB 0.055 40.888 40.800 0.054 0.000 1.324 282 D HN 0.191 nan 8.370 nan 0.000 0.440 283 L N 1.453 122.745 121.223 0.116 0.000 1.970 283 L HA -0.155 4.243 4.340 0.096 0.000 0.212 283 L C 2.662 179.748 176.870 0.360 0.000 1.071 283 L CA 1.034 55.974 54.840 0.167 0.000 0.751 283 L CB -0.705 41.323 42.059 -0.051 0.000 0.889 283 L HN -0.081 nan 8.230 nan 0.000 0.432 284 V N 0.077 120.234 119.914 0.405 0.000 2.277 284 V HA -0.245 3.932 4.120 0.096 0.000 0.253 284 V C -0.073 176.216 176.094 0.326 0.000 1.067 284 V CA 2.453 65.042 62.300 0.482 0.000 1.047 284 V CB -1.812 30.240 31.823 0.382 0.000 0.649 284 V HN 0.349 nan 8.190 nan 0.000 0.447 285 P HA -0.141 nan 4.420 nan 0.000 0.215 285 P C 1.763 179.152 177.300 0.149 0.000 1.157 285 P CA 2.059 65.249 63.100 0.149 0.000 0.868 285 P CB -0.201 31.567 31.700 0.113 0.000 0.788 286 A N -0.616 122.320 122.820 0.193 0.000 1.865 286 A HA -0.249 4.128 4.320 0.096 0.000 0.217 286 A C 2.135 179.817 177.584 0.163 0.000 1.191 286 A CA 1.620 53.769 52.037 0.187 0.000 0.623 286 A CB -1.979 17.177 19.000 0.260 0.000 0.826 286 A HN 0.099 nan 8.150 nan 0.000 0.444 287 F N 1.080 121.035 119.950 0.008 0.000 2.147 287 F HA -0.272 4.312 4.527 0.096 0.000 0.301 287 F C 2.407 178.070 175.800 -0.228 0.000 1.084 287 F CA 2.096 59.879 58.000 -0.362 0.000 1.268 287 F CB -0.884 37.909 39.000 -0.345 0.000 1.009 287 F HN 0.415 nan 8.300 nan 0.000 0.486 288 Q N -0.486 119.283 119.800 -0.053 0.000 2.084 288 Q HA -0.235 4.162 4.340 0.096 0.000 0.202 288 Q C 1.753 177.671 176.000 -0.136 0.000 0.978 288 Q CA 1.893 57.605 55.803 -0.151 0.000 0.844 288 Q CB -0.322 28.392 28.738 -0.040 0.000 0.898 288 Q HN 0.455 nan 8.270 nan 0.000 0.426 289 N N 0.016 118.678 118.700 -0.063 0.000 2.354 289 N HA -0.038 4.760 4.740 0.096 0.000 0.179 289 N C 1.501 176.972 175.510 -0.066 0.000 1.021 289 N CA 0.607 53.629 53.050 -0.046 0.000 0.887 289 N CB 0.026 38.512 38.487 -0.002 0.000 0.974 289 N HN 0.137 nan 8.380 nan 0.000 0.437 290 L N 0.114 121.277 121.223 -0.099 0.000 2.005 290 L HA -0.049 4.348 4.340 0.096 0.000 0.207 290 L C 2.062 178.847 176.870 -0.143 0.000 1.072 290 L CA 1.068 55.844 54.840 -0.106 0.000 0.744 290 L CB -0.355 41.609 42.059 -0.160 0.000 0.895 290 L HN 0.195 nan 8.230 nan 0.000 0.433 291 M N -0.568 118.870 119.600 -0.269 0.000 2.267 291 M HA -0.219 4.318 4.480 0.096 0.000 0.263 291 M C 1.719 177.922 176.300 -0.161 0.000 1.063 291 M CA 1.649 56.783 55.300 -0.276 0.000 1.090 291 M CB -0.373 31.955 32.600 -0.453 0.000 1.392 291 M HN 0.151 nan 8.290 nan 0.000 0.422 292 K N -0.157 120.165 120.400 -0.131 0.000 2.404 292 K HA 0.052 4.430 4.320 0.096 0.000 0.194 292 K C 0.272 176.842 176.600 -0.051 0.000 1.023 292 K CA -0.168 56.070 56.287 -0.082 0.000 1.094 292 K CB 0.037 32.496 32.500 -0.069 0.000 0.841 292 K HN 0.250 nan 8.250 nan 0.000 0.523 293 D N 0.750 121.123 120.400 -0.044 0.000 2.548 293 D HA -0.122 4.576 4.640 0.096 0.000 0.231 293 D C 1.147 177.442 176.300 -0.008 0.000 1.142 293 D CA 0.013 54.008 54.000 -0.009 0.000 0.866 293 D CB 0.916 41.727 40.800 0.018 0.000 1.190 293 D HN 0.172 nan 8.370 nan 0.000 0.469 294 C N 2.691 121.992 119.300 0.003 0.000 2.413 294 C HA -0.072 4.446 4.460 0.096 0.000 0.276 294 C C 1.111 176.080 174.990 -0.036 0.000 1.236 294 C CA -0.045 58.966 59.018 -0.013 0.000 1.735 294 C CB -0.650 27.090 27.740 -0.001 0.000 2.031 294 C HN 0.526 nan 8.230 nan 0.000 0.474 295 E N 0.967 121.149 120.200 -0.030 0.000 2.180 295 E HA 0.394 4.801 4.350 0.096 0.000 0.283 295 E C 1.035 177.600 176.600 -0.059 0.000 1.061 295 E CA 0.280 56.616 56.400 -0.105 0.000 0.861 295 E CB 1.163 30.752 29.700 -0.185 0.000 1.056 295 E HN 0.441 nan 8.360 nan 0.000 0.407 296 A N 4.123 126.894 122.820 -0.081 0.000 1.903 296 A HA -0.279 4.098 4.320 0.096 0.000 0.219 296 A C 1.922 179.529 177.584 0.038 0.000 1.191 296 A CA 2.019 54.041 52.037 -0.026 0.000 0.638 296 A CB -0.359 18.616 19.000 -0.041 0.000 0.823 296 A HN 0.649 nan 8.150 nan 0.000 0.451 297 E N -0.842 119.353 120.200 -0.007 0.000 2.339 297 E HA -0.146 4.262 4.350 0.096 0.000 0.201 297 E C 1.544 178.359 176.600 0.357 0.000 1.015 297 E CA 1.357 57.830 56.400 0.122 0.000 0.841 297 E CB -0.135 29.516 29.700 -0.082 0.000 0.754 297 E HN 0.384 nan 8.360 nan 0.000 0.508 298 V N -0.702 119.372 119.914 0.266 0.000 2.672 298 V HA -0.004 4.173 4.120 0.096 0.000 0.242 298 V C 2.142 178.306 176.094 0.116 0.000 1.059 298 V CA 0.951 63.412 62.300 0.268 0.000 1.081 298 V CB -0.239 31.731 31.823 0.245 0.000 0.752 298 V HN 0.155 nan 8.190 nan 0.000 0.472 299 R N 0.535 121.076 120.500 0.068 0.000 2.096 299 R HA -0.201 4.197 4.340 0.096 0.000 0.240 299 R C 2.400 178.723 176.300 0.039 0.000 1.139 299 R CA 1.734 57.841 56.100 0.013 0.000 0.952 299 R CB -0.613 29.682 30.300 -0.009 0.000 0.854 299 R HN 0.532 nan 8.270 nan 0.000 0.436 300 A N 1.238 124.116 122.820 0.097 0.000 1.845 300 A HA -0.141 4.236 4.320 0.096 0.000 0.215 300 A C 2.391 180.109 177.584 0.223 0.000 1.195 300 A CA 1.810 53.935 52.037 0.146 0.000 0.616 300 A CB -0.861 18.262 19.000 0.205 0.000 0.832 300 A HN 0.419 nan 8.150 nan 0.000 0.443 301 A N -0.518 122.426 122.820 0.206 0.000 2.084 301 A HA 0.104 4.481 4.320 0.096 0.000 0.221 301 A C 2.361 179.983 177.584 0.064 0.000 1.161 301 A CA 2.244 54.339 52.037 0.098 0.000 0.653 301 A CB -0.807 18.081 19.000 -0.187 0.000 0.802 301 A HN 1.037 nan 8.150 nan 0.000 0.457 302 A N -0.700 122.156 122.820 0.061 0.000 1.843 302 A HA 0.044 4.421 4.320 0.096 0.000 0.213 302 A C 2.378 180.059 177.584 0.162 0.000 1.202 302 A CA 1.616 53.705 52.037 0.086 0.000 0.607 302 A CB -0.954 18.039 19.000 -0.013 0.000 0.847 302 A HN 0.462 nan 8.150 nan 0.000 0.445 303 S N -0.175 115.562 115.700 0.062 0.000 2.392 303 S HA -0.273 4.254 4.470 0.096 0.000 0.232 303 S C 1.729 176.356 174.600 0.044 0.000 1.041 303 S CA 2.067 60.276 58.200 0.015 0.000 1.026 303 S CB -0.662 62.496 63.200 -0.069 0.000 0.845 303 S HN 0.761 nan 8.310 nan 0.000 0.465 304 H N 1.101 120.213 119.070 0.070 0.000 2.387 304 H HA 0.055 4.669 4.556 0.096 0.000 0.299 304 H C 1.975 177.359 175.328 0.093 0.000 1.090 304 H CA 1.178 57.264 56.048 0.064 0.000 1.332 304 H CB 0.086 29.871 29.762 0.038 0.000 1.386 304 H HN 0.076 nan 8.280 nan 0.000 0.516 305 K N 0.585 121.127 120.400 0.237 0.000 2.439 305 K HA -0.036 4.342 4.320 0.096 0.000 0.197 305 K C 2.013 178.781 176.600 0.281 0.000 1.041 305 K CA 0.210 56.609 56.287 0.187 0.000 0.970 305 K CB -0.379 32.145 32.500 0.041 0.000 0.773 305 K HN 0.169 nan 8.250 nan 0.000 0.479 306 V N 1.968 122.109 119.914 0.379 0.000 2.218 306 V HA -0.373 3.804 4.120 0.096 0.000 0.251 306 V C 2.547 178.843 176.094 0.337 0.000 1.057 306 V CA 2.389 64.945 62.300 0.428 0.000 1.022 306 V CB -0.590 31.381 31.823 0.246 0.000 0.645 306 V HN 0.409 nan 8.190 nan 0.000 0.451 307 K N 0.093 120.620 120.400 0.211 0.000 1.980 307 K HA -0.326 4.052 4.320 0.096 0.000 0.223 307 K C 2.319 179.010 176.600 0.153 0.000 1.052 307 K CA 2.516 58.896 56.287 0.156 0.000 0.974 307 K CB -0.515 32.047 32.500 0.104 0.000 0.734 307 K HN 0.567 nan 8.250 nan 0.000 0.447 308 E N -0.583 119.701 120.200 0.139 0.000 2.147 308 E HA -0.253 4.154 4.350 0.096 0.000 0.199 308 E C 1.960 178.646 176.600 0.143 0.000 1.005 308 E CA 1.621 58.089 56.400 0.113 0.000 0.810 308 E CB -0.265 29.495 29.700 0.101 0.000 0.736 308 E HN 0.422 nan 8.360 nan 0.000 0.460 309 F N 0.964 120.936 119.950 0.037 0.000 2.069 309 F HA -0.251 4.333 4.527 0.095 0.000 0.298 309 F C 2.314 178.141 175.800 0.045 0.000 1.113 309 F CA 1.562 59.566 58.000 0.006 0.000 1.214 309 F CB -0.791 38.188 39.000 -0.036 0.000 0.978 309 F HN 0.178 nan 8.300 nan 0.000 0.474 310 C N 0.600 119.942 119.300 0.071 0.000 2.436 310 C HA -0.186 4.332 4.460 0.096 0.000 0.277 310 C C 2.645 177.582 174.990 -0.088 0.000 1.241 310 C CA 1.276 60.264 59.018 -0.050 0.000 1.721 310 C CB -1.316 26.475 27.740 0.085 0.000 2.043 310 C HN 0.532 nan 8.230 nan 0.000 0.472 311 E N 0.948 121.135 120.200 -0.022 0.000 2.065 311 E HA -0.201 4.206 4.350 0.096 0.000 0.201 311 E C 1.071 177.632 176.600 -0.066 0.000 1.016 311 E CA 1.243 57.627 56.400 -0.026 0.000 0.818 311 E CB -0.285 29.416 29.700 0.003 0.000 0.749 311 E HN 0.613 nan 8.360 nan 0.000 0.453 312 N N 0.847 119.495 118.700 -0.088 0.000 2.416 312 N HA 0.060 4.858 4.740 0.096 0.000 0.215 312 N C 0.173 175.570 175.510 -0.188 0.000 1.208 312 N CA 0.246 53.231 53.050 -0.108 0.000 0.834 312 N CB 0.129 38.571 38.487 -0.075 0.000 1.072 312 N HN 0.122 nan 8.380 nan 0.000 0.472 313 L N -0.074 121.014 121.223 -0.225 0.000 2.600 313 L HA 0.169 4.566 4.340 0.096 0.000 0.221 313 L C 0.606 177.387 176.870 -0.148 0.000 1.197 313 L CA -0.372 54.309 54.840 -0.265 0.000 0.838 313 L CB 0.453 42.348 42.059 -0.274 0.000 1.474 313 L HN -0.050 nan 8.230 nan 0.000 0.514 314 S N 0.542 116.171 115.700 -0.119 0.000 2.465 314 S HA 0.109 4.637 4.470 0.096 0.000 0.280 314 S C 1.082 175.647 174.600 -0.057 0.000 1.232 314 S CA 0.024 58.179 58.200 -0.075 0.000 1.066 314 S CB 1.294 64.460 63.200 -0.057 0.000 0.929 314 S HN 0.680 nan 8.310 nan 0.000 0.494 315 A N 3.990 126.782 122.820 -0.047 0.000 2.016 315 A HA -0.333 4.044 4.320 0.096 0.000 0.225 315 A C 1.648 179.216 177.584 -0.027 0.000 1.230 315 A CA 2.705 54.721 52.037 -0.034 0.000 0.678 315 A CB -0.944 18.040 19.000 -0.027 0.000 0.826 315 A HN 0.914 nan 8.150 nan 0.000 0.484 316 D N -0.959 119.426 120.400 -0.026 0.000 2.297 316 D HA -0.106 4.591 4.640 0.096 0.000 0.233 316 D C 1.986 178.275 176.300 -0.019 0.000 1.056 316 D CA 1.001 54.989 54.000 -0.019 0.000 0.938 316 D CB -1.307 39.483 40.800 -0.016 0.000 1.048 316 D HN 0.680 nan 8.370 nan 0.000 0.442 317 C N 0.557 119.844 119.300 -0.021 0.000 2.400 317 C HA -0.039 4.478 4.460 0.096 0.000 0.291 317 C C 2.450 177.427 174.990 -0.021 0.000 1.372 317 C CA 0.345 59.353 59.018 -0.017 0.000 1.800 317 C CB -1.572 26.158 27.740 -0.017 0.000 1.869 317 C HN 0.326 nan 8.230 nan 0.000 0.533 318 R N 1.674 122.155 120.500 -0.033 0.000 2.292 318 R HA -0.324 4.073 4.340 0.096 0.000 0.223 318 R C 2.312 178.602 176.300 -0.017 0.000 1.088 318 R CA 2.707 58.784 56.100 -0.037 0.000 0.849 318 R CB -1.079 29.198 30.300 -0.038 0.000 0.852 318 R HN 0.725 nan 8.270 nan 0.000 0.424 319 E N -0.232 119.963 120.200 -0.008 0.000 2.197 319 E HA -0.318 4.090 4.350 0.096 0.000 0.205 319 E C 1.629 178.228 176.600 -0.002 0.000 1.029 319 E CA 2.184 58.584 56.400 0.000 0.000 0.828 319 E CB -0.120 29.583 29.700 0.004 0.000 0.737 319 E HN 0.410 nan 8.360 nan 0.000 0.464 320 N N -0.440 118.258 118.700 -0.003 0.000 2.025 320 N HA -0.172 4.625 4.740 0.096 0.000 0.194 320 N C 1.935 177.446 175.510 0.002 0.000 1.069 320 N CA 2.323 55.372 53.050 -0.002 0.000 0.855 320 N CB -0.562 37.925 38.487 0.000 0.000 1.054 320 N HN 0.199 nan 8.380 nan 0.000 0.427 321 V N 0.017 119.936 119.914 0.009 0.000 2.277 321 V HA -0.296 3.881 4.120 0.096 0.000 0.253 321 V C 2.026 178.145 176.094 0.042 0.000 1.067 321 V CA 1.753 64.071 62.300 0.030 0.000 1.047 321 V CB -1.159 30.684 31.823 0.035 0.000 0.649 321 V HN 0.311 nan 8.190 nan 0.000 0.447 322 I N -0.824 119.765 120.570 0.032 0.000 2.118 322 I HA -0.310 3.917 4.170 0.096 0.000 0.241 322 I C 2.697 178.817 176.117 0.006 0.000 1.070 322 I CA 2.803 64.129 61.300 0.042 0.000 1.327 322 I CB -0.372 37.647 38.000 0.031 0.000 1.034 322 I HN 0.363 nan 8.210 nan 0.000 0.405 323 M N 0.703 120.288 119.600 -0.026 0.000 2.132 323 M HA -0.166 4.371 4.480 0.096 0.000 0.263 323 M C 2.468 178.722 176.300 -0.077 0.000 1.065 323 M CA 2.154 57.403 55.300 -0.084 0.000 1.122 323 M CB -0.280 32.269 32.600 -0.086 0.000 1.365 323 M HN 0.330 nan 8.290 nan 0.000 0.411 324 S N -1.379 114.301 115.700 -0.033 0.000 2.406 324 S HA -0.000 4.527 4.470 0.096 0.000 0.224 324 S C 1.698 176.295 174.600 -0.004 0.000 1.030 324 S CA 0.319 58.507 58.200 -0.020 0.000 0.958 324 S CB -0.206 62.992 63.200 -0.004 0.000 0.811 324 S HN 0.433 nan 8.310 nan 0.000 0.489 325 Q N 0.981 120.793 119.800 0.019 0.000 2.363 325 Q HA 0.388 4.785 4.340 0.096 0.000 0.192 325 Q C 2.242 178.257 176.000 0.026 0.000 0.994 325 Q CA 0.342 56.169 55.803 0.040 0.000 0.848 325 Q CB -1.009 27.786 28.738 0.095 0.000 0.987 325 Q HN 0.435 nan 8.270 nan 0.000 0.559 326 I N 1.668 122.276 120.570 0.063 0.000 2.058 326 I HA -0.263 3.964 4.170 0.096 0.000 0.235 326 I C 2.437 178.543 176.117 -0.018 0.000 1.053 326 I CA 0.929 62.252 61.300 0.038 0.000 1.313 326 I CB -1.119 36.968 38.000 0.144 0.000 1.039 326 I HN 0.142 nan 8.210 nan 0.000 0.396 327 L N 0.960 122.175 121.223 -0.012 0.000 2.119 327 L HA -0.257 4.140 4.340 0.096 0.000 0.226 327 L C -0.487 176.349 176.870 -0.058 0.000 1.093 327 L CA 2.598 57.412 54.840 -0.044 0.000 0.806 327 L CB -1.820 40.184 42.059 -0.093 0.000 0.902 327 L HN 0.189 nan 8.230 nan 0.000 0.444 328 P HA -0.086 nan 4.420 nan 0.000 0.216 328 P C 1.992 179.258 177.300 -0.057 0.000 1.153 328 P CA 1.685 64.752 63.100 -0.055 0.000 0.844 328 P CB -0.159 31.512 31.700 -0.048 0.000 0.787 329 C N -0.932 118.323 119.300 -0.075 0.000 2.436 329 C HA -0.131 4.386 4.460 0.096 0.000 0.277 329 C C 2.599 177.533 174.990 -0.093 0.000 1.241 329 C CA 0.571 59.528 59.018 -0.101 0.000 1.721 329 C CB -1.645 25.996 27.740 -0.164 0.000 2.043 329 C HN 0.168 nan 8.230 nan 0.000 0.472 330 I N 0.837 121.355 120.570 -0.086 0.000 2.065 330 I HA -0.350 3.878 4.170 0.096 0.000 0.236 330 I C 2.615 178.708 176.117 -0.038 0.000 1.028 330 I CA 2.034 63.300 61.300 -0.057 0.000 1.299 330 I CB -0.746 37.239 38.000 -0.025 0.000 1.015 330 I HN 0.377 nan 8.210 nan 0.000 0.396 331 K N 0.266 120.647 120.400 -0.032 0.000 2.293 331 K HA -0.248 4.129 4.320 0.096 0.000 0.204 331 K C 2.002 178.587 176.600 -0.026 0.000 1.045 331 K CA 1.434 57.707 56.287 -0.023 0.000 0.933 331 K CB 0.038 32.526 32.500 -0.021 0.000 0.736 331 K HN 0.272 nan 8.250 nan 0.000 0.463 332 E N 0.250 120.427 120.200 -0.037 0.000 2.190 332 E HA -0.031 4.377 4.350 0.096 0.000 0.191 332 E C 1.949 178.525 176.600 -0.040 0.000 0.978 332 E CA 0.401 56.778 56.400 -0.038 0.000 0.839 332 E CB 0.078 29.750 29.700 -0.047 0.000 0.787 332 E HN 0.327 nan 8.360 nan 0.000 0.473 333 L N 0.444 121.638 121.223 -0.048 0.000 2.083 333 L HA -0.158 4.239 4.340 0.096 0.000 0.209 333 L C 2.429 179.282 176.870 -0.029 0.000 1.083 333 L CA 0.681 55.493 54.840 -0.047 0.000 0.752 333 L CB -0.395 41.627 42.059 -0.060 0.000 0.899 333 L HN -0.012 nan 8.230 nan 0.000 0.433 334 V N -1.210 118.694 119.914 -0.017 0.000 2.546 334 V HA -0.266 3.911 4.120 0.096 0.000 0.254 334 V C 1.889 177.979 176.094 -0.008 0.000 1.076 334 V CA 1.909 64.207 62.300 -0.003 0.000 1.087 334 V CB -0.546 31.283 31.823 0.010 0.000 0.674 334 V HN 0.380 nan 8.190 nan 0.000 0.470 335 S N -1.340 114.351 115.700 -0.015 0.000 2.582 335 S HA 0.109 4.636 4.470 0.096 0.000 0.234 335 S C 0.587 175.172 174.600 -0.024 0.000 0.961 335 S CA -0.338 57.851 58.200 -0.017 0.000 0.953 335 S CB -0.359 62.831 63.200 -0.017 0.000 0.800 335 S HN 0.619 nan 8.310 nan 0.000 0.471 336 D N 1.431 121.814 120.400 -0.027 0.000 2.378 336 D HA 0.175 4.872 4.640 0.096 0.000 0.238 336 D C 1.115 177.393 176.300 -0.036 0.000 1.180 336 D CA 0.169 54.149 54.000 -0.033 0.000 0.895 336 D CB 1.079 41.859 40.800 -0.034 0.000 1.192 336 D HN 0.234 nan 8.370 nan 0.000 0.438 337 A N 3.254 126.048 122.820 -0.043 0.000 1.975 337 A HA -0.088 4.289 4.320 0.096 0.000 0.215 337 A C 1.112 178.655 177.584 -0.069 0.000 1.170 337 A CA 0.409 52.415 52.037 -0.051 0.000 0.656 337 A CB -0.106 18.863 19.000 -0.052 0.000 0.821 337 A HN 0.574 nan 8.150 nan 0.000 0.449 338 N N 1.056 119.711 118.700 -0.074 0.000 2.401 338 N HA 0.138 4.935 4.740 0.096 0.000 0.255 338 N C 0.937 176.381 175.510 -0.109 0.000 1.110 338 N CA -0.111 52.872 53.050 -0.111 0.000 0.949 338 N CB 0.597 39.032 38.487 -0.085 0.000 1.110 338 N HN 0.232 nan 8.380 nan 0.000 0.490 339 Q N 1.608 121.307 119.800 -0.168 0.000 2.344 339 Q HA -0.248 4.149 4.340 0.096 0.000 0.212 339 Q C 0.597 176.602 176.000 0.009 0.000 0.991 339 Q CA 1.693 57.432 55.803 -0.107 0.000 0.897 339 Q CB -0.248 28.407 28.738 -0.138 0.000 0.915 339 Q HN 0.789 nan 8.270 nan 0.000 0.438 340 H N -0.757 118.307 119.070 -0.010 0.000 2.287 340 H HA -0.019 4.594 4.556 0.096 0.000 0.309 340 H C 2.401 177.723 175.328 -0.010 0.000 1.059 340 H CA 0.721 56.772 56.048 0.005 0.000 1.357 340 H CB 0.132 29.911 29.762 0.029 0.000 1.409 340 H HN -0.057 nan 8.280 nan 0.000 0.515 341 V N 1.696 121.685 119.914 0.124 0.000 2.277 341 V HA -0.355 3.823 4.120 0.096 0.000 0.253 341 V C 2.267 178.357 176.094 -0.007 0.000 1.067 341 V CA 1.950 64.272 62.300 0.038 0.000 1.047 341 V CB -0.508 31.321 31.823 0.011 0.000 0.649 341 V HN 0.370 nan 8.190 nan 0.000 0.447 342 K N -0.341 120.058 120.400 -0.001 0.000 1.987 342 K HA -0.256 4.122 4.320 0.096 0.000 0.216 342 K C 2.551 179.139 176.600 -0.020 0.000 1.051 342 K CA 2.061 58.340 56.287 -0.012 0.000 0.942 342 K CB -0.620 31.875 32.500 -0.009 0.000 0.722 342 K HN 0.398 nan 8.250 nan 0.000 0.444 343 S N 0.125 115.826 115.700 0.002 0.000 2.372 343 S HA -0.261 4.266 4.470 0.096 0.000 0.227 343 S C 1.945 176.502 174.600 -0.071 0.000 1.044 343 S CA 1.634 59.830 58.200 -0.006 0.000 1.050 343 S CB -0.345 62.887 63.200 0.053 0.000 0.901 343 S HN 0.453 nan 8.310 nan 0.000 0.447 344 A N 1.367 124.108 122.820 -0.131 0.000 1.841 344 A HA -0.109 4.269 4.320 0.096 0.000 0.216 344 A C 2.162 179.553 177.584 -0.322 0.000 1.199 344 A CA 1.924 53.707 52.037 -0.424 0.000 0.621 344 A CB -1.250 17.376 19.000 -0.623 0.000 0.835 344 A HN 0.550 nan 8.150 nan 0.000 0.445 345 L N -0.104 121.003 121.223 -0.193 0.000 2.013 345 L HA -0.188 4.209 4.340 0.096 0.000 0.212 345 L C 2.688 179.521 176.870 -0.061 0.000 1.073 345 L CA 2.535 57.315 54.840 -0.101 0.000 0.753 345 L CB -0.815 41.212 42.059 -0.053 0.000 0.890 345 L HN 0.402 nan 8.230 nan 0.000 0.432 346 A N -1.319 121.469 122.820 -0.053 0.000 2.139 346 A HA -0.241 4.136 4.320 0.096 0.000 0.221 346 A C 2.452 179.996 177.584 -0.068 0.000 1.159 346 A CA 2.043 54.056 52.037 -0.040 0.000 0.662 346 A CB -0.960 18.019 19.000 -0.034 0.000 0.796 346 A HN 0.727 nan 8.150 nan 0.000 0.463 347 S N -0.228 115.426 115.700 -0.077 0.000 2.348 347 S HA -0.091 4.436 4.470 0.096 0.000 0.219 347 S C 1.761 176.329 174.600 -0.053 0.000 1.033 347 S CA 1.379 59.539 58.200 -0.067 0.000 0.974 347 S CB -1.094 62.073 63.200 -0.054 0.000 0.868 347 S HN 1.025 nan 8.310 nan 0.000 0.459 348 V N -0.592 119.300 119.914 -0.037 0.000 3.406 348 V HA 0.359 4.536 4.120 0.096 0.000 0.263 348 V C 2.153 178.258 176.094 0.017 0.000 1.172 348 V CA 0.596 62.897 62.300 0.002 0.000 1.140 348 V CB -0.978 30.867 31.823 0.038 0.000 0.784 348 V HN 0.507 nan 8.190 nan 0.000 0.467 349 I N 0.157 120.737 120.570 0.017 0.000 2.335 349 I HA -0.188 4.039 4.170 0.096 0.000 0.251 349 I C 2.397 178.574 176.117 0.099 0.000 1.129 349 I CA 1.613 62.964 61.300 0.084 0.000 1.402 349 I CB 0.085 38.167 38.000 0.137 0.000 1.069 349 I HN 0.231 nan 8.210 nan 0.000 0.424 350 M N -0.170 119.380 119.600 -0.084 0.000 2.549 350 M HA -0.034 4.503 4.480 0.096 0.000 0.260 350 M C 2.047 178.339 176.300 -0.013 0.000 1.076 350 M CA 1.098 56.282 55.300 -0.193 0.000 1.090 350 M CB -1.330 31.048 32.600 -0.371 0.000 1.418 350 M HN 0.354 nan 8.290 nan 0.000 0.486 351 G N 0.298 109.109 108.800 0.018 0.000 2.679 351 G HA2 0.028 4.045 3.960 0.096 0.000 0.212 351 G HA3 0.028 4.045 3.960 0.096 0.000 0.212 351 G C 0.995 175.937 174.900 0.071 0.000 1.137 351 G CA -0.051 45.071 45.100 0.038 0.000 0.787 351 G HN 0.393 nan 8.290 nan 0.000 0.534 352 L N 1.439 122.729 121.223 0.111 0.000 2.719 352 L HA 0.348 4.745 4.340 0.096 0.000 0.236 352 L C 0.909 177.854 176.870 0.126 0.000 1.285 352 L CA -0.395 54.514 54.840 0.114 0.000 1.222 352 L CB 0.628 42.763 42.059 0.128 0.000 1.493 352 L HN 0.093 nan 8.230 nan 0.000 0.415 353 S N 0.136 115.898 115.700 0.103 0.000 3.472 353 S HA 0.163 4.690 4.470 0.096 0.000 0.247 353 S C -1.343 173.297 174.600 0.067 0.000 1.084 353 S CA 0.182 58.443 58.200 0.102 0.000 0.795 353 S CB -0.054 63.223 63.200 0.128 0.000 0.892 353 S HN 0.342 nan 8.310 nan 0.000 0.513 354 P HA 0.080 nan 4.420 nan 0.000 0.236 354 P C 0.913 178.232 177.300 0.032 0.000 1.172 354 P CA 0.784 63.906 63.100 0.037 0.000 0.759 354 P CB 0.045 31.762 31.700 0.028 0.000 0.843 355 I N -1.893 118.701 120.570 0.040 0.000 3.039 355 I HA 0.001 4.228 4.170 0.096 0.000 0.270 355 I C 2.013 178.150 176.117 0.033 0.000 1.150 355 I CA 0.254 61.573 61.300 0.032 0.000 1.448 355 I CB 0.236 38.258 38.000 0.036 0.000 1.197 355 I HN -0.174 nan 8.210 nan 0.000 0.450 356 L N -0.002 121.249 121.223 0.046 0.000 2.415 356 L HA 0.434 4.831 4.340 0.096 0.000 0.194 356 L C 0.650 177.547 176.870 0.044 0.000 1.256 356 L CA 0.479 55.346 54.840 0.046 0.000 1.974 356 L CB -0.291 41.803 42.059 0.059 0.000 1.753 356 L HN 0.213 nan 8.230 nan 0.000 0.948 357 G N -1.654 107.177 108.800 0.053 0.000 2.519 357 G HA2 0.157 4.175 3.960 0.096 0.000 0.292 357 G HA3 0.157 4.175 3.960 0.096 0.000 0.292 357 G C -0.465 174.462 174.900 0.044 0.000 1.507 357 G CA -0.226 44.900 45.100 0.044 0.000 0.806 357 G HN 0.191 nan 8.290 nan 0.000 0.523 358 K N -0.209 120.213 120.400 0.036 0.000 1.990 358 K HA -0.224 4.153 4.320 0.096 0.000 0.225 358 K C 1.784 178.396 176.600 0.019 0.000 1.053 358 K CA 2.608 58.914 56.287 0.031 0.000 0.982 358 K CB -0.282 32.233 32.500 0.025 0.000 0.734 358 K HN 0.531 nan 8.250 nan 0.000 0.448 359 D N 0.359 120.765 120.400 0.011 0.000 2.137 359 D HA -0.221 4.476 4.640 0.096 0.000 0.189 359 D C 1.852 178.140 176.300 -0.019 0.000 0.998 359 D CA 1.301 55.296 54.000 -0.009 0.000 0.839 359 D CB -0.802 39.995 40.800 -0.005 0.000 0.962 359 D HN 0.357 nan 8.370 nan 0.000 0.446 360 N N 0.432 119.150 118.700 0.029 0.000 2.064 360 N HA -0.166 4.631 4.740 0.096 0.000 0.200 360 N C 1.932 177.478 175.510 0.060 0.000 1.028 360 N CA 1.818 54.934 53.050 0.109 0.000 0.880 360 N CB -0.764 37.812 38.487 0.148 0.000 1.062 360 N HN 0.209 nan 8.380 nan 0.000 0.454 361 T N 2.387 116.962 114.554 0.036 0.000 2.665 361 T HA -0.096 4.311 4.350 0.096 0.000 0.268 361 T C 2.121 176.770 174.700 -0.085 0.000 1.035 361 T CA 1.143 63.239 62.100 -0.006 0.000 1.151 361 T CB -0.276 68.617 68.868 0.042 0.000 0.862 361 T HN 0.258 nan 8.240 nan 0.000 0.438 362 I N 0.636 121.166 120.570 -0.066 0.000 2.286 362 I HA -0.142 4.085 4.170 0.096 0.000 0.248 362 I C 2.674 178.700 176.117 -0.150 0.000 1.115 362 I CA 1.435 62.682 61.300 -0.088 0.000 1.392 362 I CB -0.419 37.550 38.000 -0.053 0.000 1.065 362 I HN 0.340 nan 8.210 nan 0.000 0.418 363 E N 0.291 120.357 120.200 -0.223 0.000 2.076 363 E HA -0.166 4.241 4.350 0.096 0.000 0.190 363 E C 2.073 178.412 176.600 -0.434 0.000 0.979 363 E CA 0.889 57.062 56.400 -0.378 0.000 0.807 363 E CB 0.171 29.521 29.700 -0.584 0.000 0.761 363 E HN 0.548 nan 8.360 nan 0.000 0.454 364 H N -0.791 118.221 119.070 -0.097 0.000 2.582 364 H HA 0.148 4.761 4.556 0.096 0.000 0.269 364 H C 1.880 177.087 175.328 -0.201 0.000 0.962 364 H CA 0.459 56.438 56.048 -0.116 0.000 1.230 364 H CB 0.693 30.409 29.762 -0.077 0.000 1.445 364 H HN 0.213 nan 8.280 nan 0.000 0.528 365 L N -0.328 120.759 121.223 -0.226 0.000 2.467 365 L HA 0.018 4.415 4.340 0.096 0.000 0.213 365 L C 1.944 178.188 176.870 -1.043 0.000 1.053 365 L CA 0.086 54.552 54.840 -0.624 0.000 0.847 365 L CB -0.045 41.609 42.059 -0.675 0.000 1.075 365 L HN 0.032 nan 8.230 nan 0.000 0.479 366 L N 0.842 121.671 121.223 -0.657 0.000 2.043 366 L HA -0.149 4.248 4.340 0.096 0.000 0.212 366 L C -0.335 176.408 176.870 -0.212 0.000 1.075 366 L CA 2.353 56.961 54.840 -0.387 0.000 0.752 366 L CB -1.905 40.078 42.059 -0.126 0.000 0.891 366 L HN 0.126 nan 8.230 nan 0.000 0.432 367 P HA -0.168 nan 4.420 nan 0.000 0.215 367 P C 2.044 179.307 177.300 -0.062 0.000 1.153 367 P CA 1.269 64.320 63.100 -0.082 0.000 0.853 367 P CB 0.060 31.715 31.700 -0.075 0.000 0.788 368 L N -1.927 119.217 121.223 -0.130 0.000 1.948 368 L HA -0.186 4.211 4.340 0.096 0.000 0.212 368 L C 2.509 179.450 176.870 0.118 0.000 1.074 368 L CA 1.754 56.572 54.840 -0.038 0.000 0.753 368 L CB -1.253 40.755 42.059 -0.086 0.000 0.888 368 L HN -0.040 nan 8.230 nan 0.000 0.432 369 F N -0.851 119.104 119.950 0.007 0.000 2.085 369 F HA -0.359 4.225 4.527 0.095 0.000 0.299 369 F C 2.578 178.380 175.800 0.004 0.000 1.096 369 F CA 0.472 58.474 58.000 0.003 0.000 1.227 369 F CB -0.401 38.602 39.000 0.005 0.000 0.983 369 F HN 0.139 nan 8.300 nan 0.000 0.482 370 L N 0.548 121.890 121.223 0.199 0.000 2.042 370 L HA -0.197 4.200 4.340 0.096 0.000 0.210 370 L C 2.694 179.610 176.870 0.076 0.000 1.076 370 L CA 1.981 56.888 54.840 0.111 0.000 0.749 370 L CB -1.716 40.381 42.059 0.064 0.000 0.893 370 L HN 0.116 nan 8.230 nan 0.000 0.432 371 A N -0.991 121.867 122.820 0.064 0.000 1.940 371 A HA -0.244 4.133 4.320 0.096 0.000 0.219 371 A C 2.126 179.738 177.584 0.047 0.000 1.176 371 A CA 1.612 53.674 52.037 0.042 0.000 0.631 371 A CB -0.315 18.704 19.000 0.031 0.000 0.814 371 A HN 0.608 nan 8.150 nan 0.000 0.446 372 Q N -0.816 119.026 119.800 0.069 0.000 2.049 372 Q HA -0.014 4.383 4.340 0.096 0.000 0.198 372 Q C 1.774 177.799 176.000 0.041 0.000 0.971 372 Q CA 0.789 56.624 55.803 0.053 0.000 0.833 372 Q CB -0.316 28.463 28.738 0.068 0.000 0.896 372 Q HN 0.437 nan 8.270 nan 0.000 0.434 373 L N 1.215 122.472 121.223 0.058 0.000 2.369 373 L HA -0.208 4.189 4.340 0.096 0.000 0.220 373 L C 1.461 178.352 176.870 0.036 0.000 1.119 373 L CA 1.836 56.702 54.840 0.045 0.000 0.780 373 L CB -0.535 41.563 42.059 0.066 0.000 0.906 373 L HN 0.251 nan 8.230 nan 0.000 0.442 374 K N -1.424 118.996 120.400 0.034 0.000 2.374 374 K HA 0.069 4.446 4.320 0.096 0.000 0.202 374 K C 0.564 177.173 176.600 0.016 0.000 1.040 374 K CA -0.401 55.902 56.287 0.026 0.000 1.085 374 K CB 0.710 33.227 32.500 0.027 0.000 0.873 374 K HN 0.202 nan 8.250 nan 0.000 0.539 375 D N 2.096 122.504 120.400 0.013 0.000 2.474 375 D HA -0.113 4.584 4.640 0.096 0.000 0.232 375 D C 0.268 176.568 176.300 -0.001 0.000 1.177 375 D CA 0.835 54.837 54.000 0.004 0.000 0.876 375 D CB 0.840 41.641 40.800 0.001 0.000 1.208 375 D HN 0.183 nan 8.370 nan 0.000 0.464 376 E N 0.613 120.810 120.200 -0.005 0.000 2.482 376 E HA -0.021 4.386 4.350 0.096 0.000 0.196 376 E C 0.378 176.970 176.600 -0.013 0.000 1.047 376 E CA -0.033 56.362 56.400 -0.008 0.000 0.869 376 E CB 0.241 29.935 29.700 -0.009 0.000 0.836 376 E HN 0.256 nan 8.360 nan 0.000 0.520 377 C N 0.965 120.256 119.300 -0.015 0.000 2.330 377 C HA 0.290 4.808 4.460 0.096 0.000 0.344 377 C C -1.633 173.341 174.990 -0.026 0.000 1.273 377 C CA -2.191 56.816 59.018 -0.019 0.000 1.879 377 C CB 0.811 28.542 27.740 -0.014 0.000 2.376 377 C HN 0.086 nan 8.230 nan 0.000 0.534 378 P HA -0.052 nan 4.420 nan 0.000 0.218 378 P C 1.473 178.735 177.300 -0.063 0.000 1.152 378 P CA 1.071 64.134 63.100 -0.061 0.000 0.826 378 P CB 0.048 31.695 31.700 -0.089 0.000 0.790 379 E N -0.337 119.834 120.200 -0.048 0.000 2.219 379 E HA -0.121 4.286 4.350 0.096 0.000 0.198 379 E C 1.864 178.443 176.600 -0.034 0.000 0.998 379 E CA 0.943 57.320 56.400 -0.039 0.000 0.818 379 E CB -0.549 29.148 29.700 -0.006 0.000 0.741 379 E HN 0.085 nan 8.360 nan 0.000 0.477 380 V N 0.329 120.227 119.914 -0.027 0.000 2.283 380 V HA -0.157 4.020 4.120 0.096 0.000 0.239 380 V C 2.422 178.496 176.094 -0.035 0.000 1.035 380 V CA 1.298 63.583 62.300 -0.026 0.000 1.018 380 V CB -0.367 31.447 31.823 -0.014 0.000 0.658 380 V HN 0.146 nan 8.190 nan 0.000 0.459 381 R N -0.452 120.030 120.500 -0.030 0.000 2.140 381 R HA -0.247 4.151 4.340 0.096 0.000 0.250 381 R C 2.294 178.565 176.300 -0.048 0.000 1.150 381 R CA 1.995 58.078 56.100 -0.029 0.000 0.966 381 R CB -0.567 29.718 30.300 -0.024 0.000 0.869 381 R HN 0.415 nan 8.270 nan 0.000 0.445 382 L N 0.674 121.859 121.223 -0.062 0.000 1.976 382 L HA -0.235 4.162 4.340 0.096 0.000 0.209 382 L C 1.676 178.498 176.870 -0.080 0.000 1.071 382 L CA 1.616 56.408 54.840 -0.079 0.000 0.746 382 L CB -0.336 41.668 42.059 -0.093 0.000 0.890 382 L HN 0.214 nan 8.230 nan 0.000 0.432 383 N N -0.160 118.498 118.700 -0.071 0.000 2.192 383 N HA -0.204 4.593 4.740 0.096 0.000 0.188 383 N C 1.620 177.067 175.510 -0.104 0.000 1.013 383 N CA 1.176 54.180 53.050 -0.077 0.000 0.863 383 N CB -0.164 38.286 38.487 -0.061 0.000 0.990 383 N HN 0.283 nan 8.380 nan 0.000 0.430 384 I N 0.659 121.169 120.570 -0.101 0.000 2.277 384 I HA -0.076 4.151 4.170 0.096 0.000 0.243 384 I C 1.919 177.931 176.117 -0.175 0.000 1.094 384 I CA 0.631 61.846 61.300 -0.142 0.000 1.393 384 I CB -0.647 37.298 38.000 -0.092 0.000 1.078 384 I HN 0.085 nan 8.210 nan 0.000 0.417 385 I N 0.164 120.653 120.570 -0.135 0.000 2.248 385 I HA -0.335 3.892 4.170 0.096 0.000 0.248 385 I C 2.699 178.666 176.117 -0.249 0.000 1.107 385 I CA 1.454 62.656 61.300 -0.164 0.000 1.373 385 I CB -0.506 37.435 38.000 -0.099 0.000 1.055 385 I HN 0.178 nan 8.210 nan 0.000 0.418 386 S N 0.954 116.538 115.700 -0.193 0.000 2.419 386 S HA -0.146 4.381 4.470 0.096 0.000 0.235 386 S C 1.599 176.063 174.600 -0.226 0.000 1.019 386 S CA 1.481 59.566 58.200 -0.193 0.000 0.982 386 S CB -0.271 62.853 63.200 -0.126 0.000 0.789 386 S HN 0.450 nan 8.310 nan 0.000 0.490 387 N N 0.724 119.279 118.700 -0.241 0.000 2.236 387 N HA 0.223 5.020 4.740 0.096 0.000 0.196 387 N C 1.365 176.712 175.510 -0.272 0.000 1.114 387 N CA 0.012 52.922 53.050 -0.233 0.000 0.859 387 N CB 0.007 38.370 38.487 -0.208 0.000 0.982 387 N HN 0.394 nan 8.380 nan 0.000 0.493 388 L N 1.279 122.288 121.223 -0.357 0.000 1.997 388 L HA -0.255 4.143 4.340 0.096 0.000 0.216 388 L C 1.411 178.156 176.870 -0.207 0.000 1.074 388 L CA 1.459 56.108 54.840 -0.320 0.000 0.763 388 L CB -0.696 41.086 42.059 -0.460 0.000 0.890 388 L HN 0.058 nan 8.230 nan 0.000 0.434 389 D N -0.731 119.488 120.400 -0.302 0.000 2.346 389 D HA -0.271 4.427 4.640 0.096 0.000 0.202 389 D C 1.915 178.218 176.300 0.005 0.000 1.007 389 D CA 1.536 55.516 54.000 -0.032 0.000 0.923 389 D CB -0.833 39.941 40.800 -0.043 0.000 0.891 389 D HN 0.509 nan 8.370 nan 0.000 0.460 390 C N 0.341 119.612 119.300 -0.048 0.000 5.277 390 C HA -0.022 4.496 4.460 0.096 0.000 0.288 390 C C 2.937 177.933 174.990 0.009 0.000 1.336 390 C CA 1.436 60.441 59.018 -0.022 0.000 1.801 390 C CB -0.848 26.863 27.740 -0.047 0.000 2.096 390 C HN 0.299 nan 8.230 nan 0.000 0.493 391 V N 2.229 122.146 119.914 0.005 0.000 2.352 391 V HA -0.364 3.814 4.120 0.096 0.000 0.266 391 V C 1.954 178.094 176.094 0.077 0.000 1.117 391 V CA 3.328 65.669 62.300 0.068 0.000 1.109 391 V CB -1.988 29.905 31.823 0.116 0.000 0.705 391 V HN 0.842 nan 8.190 nan 0.000 0.455 392 N N 0.336 119.078 118.700 0.069 0.000 2.430 392 N HA -0.181 4.617 4.740 0.096 0.000 0.186 392 N C 1.707 177.249 175.510 0.053 0.000 1.032 392 N CA 1.704 54.797 53.050 0.071 0.000 0.893 392 N CB -0.270 38.271 38.487 0.090 0.000 0.957 392 N HN 0.747 nan 8.380 nan 0.000 0.442 393 E N -0.300 119.928 120.200 0.046 0.000 2.051 393 E HA -0.052 4.355 4.350 0.096 0.000 0.189 393 E C 1.893 178.516 176.600 0.039 0.000 0.979 393 E CA 0.598 57.020 56.400 0.036 0.000 0.803 393 E CB -0.364 29.354 29.700 0.029 0.000 0.761 393 E HN 0.207 nan 8.360 nan 0.000 0.451 394 V N 2.884 122.827 119.914 0.049 0.000 2.232 394 V HA -0.155 4.023 4.120 0.096 0.000 0.237 394 V C 1.872 177.995 176.094 0.050 0.000 1.035 394 V CA 1.441 63.772 62.300 0.052 0.000 0.988 394 V CB -0.521 31.345 31.823 0.072 0.000 0.636 394 V HN 0.293 nan 8.190 nan 0.000 0.456 395 I N 0.326 120.932 120.570 0.061 0.000 2.836 395 I HA 0.479 4.707 4.170 0.096 0.000 0.285 395 I C 0.801 176.945 176.117 0.044 0.000 1.174 395 I CA -0.062 61.268 61.300 0.050 0.000 1.405 395 I CB 0.294 38.330 38.000 0.059 0.000 1.385 395 I HN 0.291 nan 8.210 nan 0.000 0.594 396 G N 3.760 112.581 108.800 0.035 0.000 2.630 396 G HA2 0.075 4.093 3.960 0.096 0.000 0.236 396 G HA3 0.075 4.093 3.960 0.096 0.000 0.236 396 G C 0.454 175.374 174.900 0.032 0.000 1.248 396 G CA -0.119 44.999 45.100 0.031 0.000 0.844 396 G HN 0.876 nan 8.290 nan 0.000 0.588 397 I N 0.783 121.368 120.570 0.026 0.000 2.315 397 I HA -0.127 4.100 4.170 0.096 0.000 0.248 397 I C 2.745 178.869 176.117 0.011 0.000 1.117 397 I CA 1.653 62.963 61.300 0.016 0.000 1.404 397 I CB -0.278 37.727 38.000 0.008 0.000 1.071 397 I HN 0.745 nan 8.210 nan 0.000 0.419 398 R N -0.189 120.326 120.500 0.025 0.000 2.092 398 R HA -0.148 4.249 4.340 0.096 0.000 0.231 398 R C 2.118 178.441 176.300 0.037 0.000 1.119 398 R CA 1.206 57.329 56.100 0.037 0.000 0.970 398 R CB -0.790 29.538 30.300 0.048 0.000 0.864 398 R HN 0.355 nan 8.270 nan 0.000 0.440 399 Q N 0.931 120.751 119.800 0.033 0.000 2.084 399 Q HA -0.130 4.267 4.340 0.096 0.000 0.202 399 Q C 2.089 178.113 176.000 0.040 0.000 0.978 399 Q CA 1.293 57.117 55.803 0.034 0.000 0.844 399 Q CB -0.289 28.468 28.738 0.031 0.000 0.898 399 Q HN 0.367 nan 8.270 nan 0.000 0.426 400 L N 0.821 122.068 121.223 0.040 0.000 2.012 400 L HA -0.185 4.212 4.340 0.096 0.000 0.210 400 L C 2.275 179.163 176.870 0.031 0.000 1.073 400 L CA 2.479 57.347 54.840 0.047 0.000 0.748 400 L CB -0.907 41.178 42.059 0.044 0.000 0.891 400 L HN 0.257 nan 8.230 nan 0.000 0.431 401 S N -1.797 113.905 115.700 0.005 0.000 2.453 401 S HA -0.216 4.311 4.470 0.096 0.000 0.231 401 S C 1.836 176.472 174.600 0.060 0.000 1.005 401 S CA 0.978 59.177 58.200 -0.000 0.000 0.949 401 S CB -0.508 62.670 63.200 -0.037 0.000 0.774 401 S HN 0.698 nan 8.310 nan 0.000 0.510 402 Q N 0.063 119.898 119.800 0.059 0.000 2.280 402 Q HA 0.278 4.675 4.340 0.096 0.000 0.201 402 Q C 0.610 176.639 176.000 0.047 0.000 0.890 402 Q CA 0.147 55.986 55.803 0.060 0.000 0.947 402 Q CB 0.250 29.020 28.738 0.052 0.000 1.081 402 Q HN 0.631 nan 8.270 nan 0.000 0.502 403 S N -1.316 114.413 115.700 0.050 0.000 3.624 403 S HA 0.100 4.627 4.470 0.096 0.000 0.244 403 S C 0.911 175.548 174.600 0.063 0.000 1.115 403 S CA -0.209 58.020 58.200 0.049 0.000 0.820 403 S CB 0.135 63.362 63.200 0.045 0.000 0.964 403 S HN 0.140 nan 8.310 nan 0.000 0.508 404 L N 2.194 123.462 121.223 0.075 0.000 2.316 404 L HA 0.318 4.715 4.340 0.096 0.000 0.207 404 L C 2.000 178.920 176.870 0.084 0.000 1.070 404 L CA 0.647 55.541 54.840 0.091 0.000 0.820 404 L CB -0.857 41.273 42.059 0.118 0.000 0.992 404 L HN 0.236 nan 8.230 nan 0.000 0.466 405 L N 0.986 122.247 121.223 0.064 0.000 2.054 405 L HA -0.248 4.149 4.340 0.096 0.000 0.220 405 L C -0.272 176.638 176.870 0.067 0.000 1.081 405 L CA 2.671 57.539 54.840 0.046 0.000 0.780 405 L CB -1.894 40.172 42.059 0.012 0.000 0.893 405 L HN 0.165 nan 8.230 nan 0.000 0.438 406 P HA -0.177 nan 4.420 nan 0.000 0.212 406 P C 1.741 179.082 177.300 0.068 0.000 1.178 406 P CA 2.372 65.510 63.100 0.065 0.000 0.915 406 P CB -0.224 31.511 31.700 0.058 0.000 0.788 407 A N -0.721 122.142 122.820 0.071 0.000 1.884 407 A HA -0.260 4.118 4.320 0.096 0.000 0.219 407 A C 2.287 179.925 177.584 0.089 0.000 1.197 407 A CA 2.090 54.172 52.037 0.074 0.000 0.637 407 A CB -1.868 17.177 19.000 0.076 0.000 0.827 407 A HN 0.119 nan 8.150 nan 0.000 0.450 408 I N -0.457 120.177 120.570 0.106 0.000 2.194 408 I HA -0.282 3.945 4.170 0.096 0.000 0.246 408 I C 2.352 178.554 176.117 0.142 0.000 1.093 408 I CA 1.564 62.947 61.300 0.139 0.000 1.355 408 I CB -0.265 37.831 38.000 0.160 0.000 1.046 408 I HN 0.213 nan 8.210 nan 0.000 0.413 409 V N 0.135 120.113 119.914 0.107 0.000 2.307 409 V HA -0.282 3.896 4.120 0.096 0.000 0.245 409 V C 2.379 178.532 176.094 0.097 0.000 1.045 409 V CA 1.958 64.313 62.300 0.092 0.000 1.024 409 V CB -0.638 31.216 31.823 0.051 0.000 0.651 409 V HN 0.442 nan 8.190 nan 0.000 0.449 410 E N -0.240 120.010 120.200 0.083 0.000 2.153 410 E HA -0.208 4.200 4.350 0.096 0.000 0.194 410 E C 2.175 178.834 176.600 0.098 0.000 0.988 410 E CA 0.849 57.295 56.400 0.076 0.000 0.811 410 E CB -0.007 29.729 29.700 0.060 0.000 0.746 410 E HN 0.306 nan 8.360 nan 0.000 0.466 411 L N 0.431 121.721 121.223 0.112 0.000 2.083 411 L HA -0.091 4.307 4.340 0.096 0.000 0.209 411 L C 2.294 179.269 176.870 0.175 0.000 1.083 411 L CA 1.716 56.629 54.840 0.121 0.000 0.752 411 L CB -1.323 40.807 42.059 0.118 0.000 0.899 411 L HN 0.129 nan 8.230 nan 0.000 0.433 412 A N -1.224 121.747 122.820 0.253 0.000 2.248 412 A HA -0.115 4.262 4.320 0.096 0.000 0.210 412 A C 1.425 179.261 177.584 0.420 0.000 1.174 412 A CA 0.898 53.205 52.037 0.450 0.000 0.750 412 A CB -0.349 18.999 19.000 0.579 0.000 0.780 412 A HN 0.519 nan 8.150 nan 0.000 0.478 413 E N 0.139 120.481 120.200 0.237 0.000 2.995 413 E HA 0.051 4.459 4.350 0.096 0.000 0.203 413 E C -0.953 175.727 176.600 0.134 0.000 0.980 413 E CA -0.362 56.151 56.400 0.188 0.000 1.172 413 E CB 0.298 30.071 29.700 0.121 0.000 1.088 413 E HN 0.543 nan 8.360 nan 0.000 0.463 414 D N 0.313 120.792 120.400 0.132 0.000 2.372 414 D HA 0.092 4.789 4.640 0.096 0.000 0.243 414 D C 1.107 177.451 176.300 0.074 0.000 1.121 414 D CA 0.151 54.200 54.000 0.082 0.000 0.898 414 D CB 1.543 42.379 40.800 0.061 0.000 1.202 414 D HN 0.147 nan 8.370 nan 0.000 0.428 415 A N 4.689 127.536 122.820 0.045 0.000 1.908 415 A HA -0.143 4.234 4.320 0.096 0.000 0.218 415 A C 0.916 178.528 177.584 0.045 0.000 1.181 415 A CA 1.228 53.286 52.037 0.036 0.000 0.627 415 A CB -0.018 18.993 19.000 0.018 0.000 0.818 415 A HN 0.435 nan 8.150 nan 0.000 0.445 416 K N 0.923 121.332 120.400 0.016 0.000 2.258 416 K HA 0.077 4.454 4.320 0.096 0.000 0.284 416 K C 1.083 177.682 176.600 -0.003 0.000 1.051 416 K CA -0.440 55.831 56.287 -0.027 0.000 0.923 416 K CB 0.481 32.907 32.500 -0.122 0.000 1.046 416 K HN 0.741 nan 8.250 nan 0.000 0.474 417 W N 4.531 125.838 121.300 0.012 0.000 2.342 417 W HA -0.196 4.521 4.660 0.096 0.000 0.297 417 W C 1.040 177.546 176.519 -0.022 0.000 1.213 417 W CA 0.382 57.728 57.345 0.002 0.000 1.251 417 W CB -0.497 28.974 29.460 0.018 0.000 1.136 417 W HN 0.478 nan 8.180 nan 0.000 0.526 418 R N 1.314 121.389 120.500 -0.709 0.000 2.088 418 R HA -0.155 4.242 4.340 0.096 0.000 0.232 418 R C 2.440 178.609 176.300 -0.219 0.000 1.136 418 R CA 2.237 57.970 56.100 -0.612 0.000 0.926 418 R CB -1.149 28.691 30.300 -0.767 0.000 0.837 418 R HN 0.159 nan 8.270 nan 0.000 0.429 419 V N 1.585 121.383 119.914 -0.193 0.000 2.277 419 V HA -0.355 3.822 4.120 0.096 0.000 0.253 419 V C 2.584 178.654 176.094 -0.040 0.000 1.067 419 V CA 2.054 64.300 62.300 -0.090 0.000 1.047 419 V CB -0.584 31.204 31.823 -0.058 0.000 0.649 419 V HN 0.393 nan 8.190 nan 0.000 0.447 420 R N -0.850 119.641 120.500 -0.014 0.000 2.096 420 R HA -0.181 4.217 4.340 0.096 0.000 0.229 420 R C 2.300 178.506 176.300 -0.158 0.000 1.134 420 R CA 1.889 57.965 56.100 -0.039 0.000 0.917 420 R CB -0.967 29.337 30.300 0.007 0.000 0.832 420 R HN 0.398 nan 8.270 nan 0.000 0.430 421 L N 1.245 122.426 121.223 -0.070 0.000 2.030 421 L HA -0.306 4.091 4.340 0.096 0.000 0.222 421 L C 2.264 179.076 176.870 -0.098 0.000 1.082 421 L CA 2.269 57.070 54.840 -0.066 0.000 0.785 421 L CB -1.091 41.056 42.059 0.146 0.000 0.895 421 L HN 0.293 nan 8.230 nan 0.000 0.439 422 A N -0.250 122.532 122.820 -0.064 0.000 1.859 422 A HA -0.251 4.126 4.320 0.096 0.000 0.217 422 A C 2.219 179.796 177.584 -0.011 0.000 1.198 422 A CA 2.357 54.367 52.037 -0.044 0.000 0.629 422 A CB -0.904 18.064 19.000 -0.054 0.000 0.830 422 A HN 0.501 nan 8.150 nan 0.000 0.446 423 I N 0.168 120.736 120.570 -0.004 0.000 2.118 423 I HA -0.289 3.938 4.170 0.096 0.000 0.241 423 I C 2.527 178.656 176.117 0.021 0.000 1.070 423 I CA 1.600 62.957 61.300 0.096 0.000 1.327 423 I CB -1.320 36.782 38.000 0.170 0.000 1.034 423 I HN 0.366 nan 8.210 nan 0.000 0.405 424 I N 0.670 121.034 120.570 -0.343 0.000 2.145 424 I HA -0.326 3.901 4.170 0.096 0.000 0.244 424 I C 2.295 178.368 176.117 -0.073 0.000 1.075 424 I CA 1.631 62.656 61.300 -0.459 0.000 1.332 424 I CB -0.534 37.051 38.000 -0.692 0.000 1.033 424 I HN 0.329 nan 8.210 nan 0.000 0.410 425 E N -0.474 119.708 120.200 -0.030 0.000 2.409 425 E HA -0.225 4.182 4.350 0.096 0.000 0.198 425 E C 1.760 178.438 176.600 0.130 0.000 1.024 425 E CA 0.807 57.230 56.400 0.038 0.000 0.861 425 E CB -0.053 29.660 29.700 0.021 0.000 0.788 425 E HN 0.552 nan 8.360 nan 0.000 0.521 426 Y N 0.799 121.097 120.300 -0.003 0.000 2.389 426 Y HA -0.005 4.602 4.550 0.096 0.000 0.292 426 Y C 2.117 178.048 175.900 0.051 0.000 1.117 426 Y CA 0.641 58.751 58.100 0.015 0.000 1.195 426 Y CB -0.224 38.246 38.460 0.017 0.000 1.076 426 Y HN -0.083 nan 8.280 nan 0.000 0.548 427 M N 1.721 121.351 119.600 0.050 0.000 2.147 427 M HA -0.229 4.308 4.480 0.096 0.000 0.253 427 M C -0.943 175.335 176.300 -0.037 0.000 1.075 427 M CA 2.758 58.078 55.300 0.032 0.000 1.085 427 M CB -1.535 31.259 32.600 0.322 0.000 1.305 427 M HN 0.162 nan 8.290 nan 0.000 0.409 428 P HA -0.218 nan 4.420 nan 0.000 0.214 428 P C 2.017 179.203 177.300 -0.190 0.000 1.163 428 P CA 1.709 64.731 63.100 -0.130 0.000 0.889 428 P CB -0.408 31.236 31.700 -0.094 0.000 0.790 429 L N -0.935 120.215 121.223 -0.121 0.000 2.012 429 L HA -0.157 4.240 4.340 0.096 0.000 0.210 429 L C 2.799 179.558 176.870 -0.186 0.000 1.073 429 L CA 1.397 56.176 54.840 -0.101 0.000 0.748 429 L CB -0.893 41.203 42.059 0.062 0.000 0.891 429 L HN -0.044 nan 8.230 nan 0.000 0.431 430 L N -0.504 120.486 121.223 -0.390 0.000 1.944 430 L HA -0.290 4.107 4.340 0.096 0.000 0.218 430 L C 2.755 179.513 176.870 -0.186 0.000 1.075 430 L CA 1.831 56.405 54.840 -0.444 0.000 0.767 430 L CB -0.564 41.073 42.059 -0.703 0.000 0.890 430 L HN 0.362 nan 8.230 nan 0.000 0.434 431 A N -0.030 122.743 122.820 -0.079 0.000 1.870 431 A HA -0.311 4.066 4.320 0.096 0.000 0.219 431 A C 2.264 179.867 177.584 0.031 0.000 1.224 431 A CA 2.514 54.614 52.037 0.106 0.000 0.650 431 A CB -1.837 17.224 19.000 0.102 0.000 0.836 431 A HN 0.646 nan 8.150 nan 0.000 0.454 432 G N -1.078 107.607 108.800 -0.191 0.000 2.808 432 G HA2 -0.447 3.570 3.960 0.096 0.000 0.225 432 G HA3 -0.447 3.570 3.960 0.096 0.000 0.225 432 G C 1.529 176.412 174.900 -0.029 0.000 1.210 432 G CA 1.740 46.735 45.100 -0.175 0.000 0.777 432 G HN 0.688 nan 8.290 nan 0.000 0.640 433 Q N -0.196 119.573 119.800 -0.051 0.000 2.077 433 Q HA 0.014 4.412 4.340 0.096 0.000 0.206 433 Q C 2.770 178.757 176.000 -0.021 0.000 0.989 433 Q CA 1.339 57.125 55.803 -0.029 0.000 0.853 433 Q CB -0.311 28.405 28.738 -0.036 0.000 0.907 433 Q HN 0.523 nan 8.270 nan 0.000 0.418 434 L N -0.702 120.491 121.223 -0.050 0.000 2.201 434 L HA -0.029 4.368 4.340 0.096 0.000 0.212 434 L C 0.785 177.681 176.870 0.044 0.000 1.105 434 L CA 0.575 55.357 54.840 -0.096 0.000 0.775 434 L CB -0.403 41.477 42.059 -0.300 0.000 0.913 434 L HN 0.411 nan 8.230 nan 0.000 0.440 435 G N -1.423 107.442 108.800 0.108 0.000 2.784 435 G HA2 -0.174 3.843 3.960 0.096 0.000 0.686 435 G HA3 -0.174 3.843 3.960 0.096 0.000 0.686 435 G C 0.081 175.010 174.900 0.050 0.000 1.156 435 G CA -0.352 44.813 45.100 0.109 0.000 0.757 435 G HN -0.175 nan 8.290 nan 0.000 0.642 436 V N 1.867 121.637 119.914 -0.239 0.000 2.255 436 V HA -0.184 3.994 4.120 0.096 0.000 0.247 436 V C 2.956 178.907 176.094 -0.238 0.000 1.051 436 V CA 3.335 65.138 62.300 -0.827 0.000 1.018 436 V CB -0.331 30.840 31.823 -1.086 0.000 0.641 436 V HN 1.151 nan 8.190 nan 0.000 0.445 437 E N 0.097 120.246 120.200 -0.084 0.000 2.114 437 E HA -0.333 4.075 4.350 0.096 0.000 0.199 437 E C 2.075 178.731 176.600 0.094 0.000 1.008 437 E CA 2.408 58.818 56.400 0.017 0.000 0.810 437 E CB -1.449 28.257 29.700 0.010 0.000 0.739 437 E HN 0.619 nan 8.360 nan 0.000 0.456 438 F N 1.113 121.071 119.950 0.013 0.000 2.075 438 F HA -0.080 4.504 4.527 0.096 0.000 0.297 438 F C 2.320 178.162 175.800 0.071 0.000 1.113 438 F CA 1.183 59.206 58.000 0.038 0.000 1.218 438 F CB -0.899 38.129 39.000 0.047 0.000 0.984 438 F HN 0.045 nan 8.300 nan 0.000 0.472 439 F N 1.607 121.771 119.950 0.357 0.000 2.027 439 F HA -0.347 4.237 4.527 0.095 0.000 0.297 439 F C 2.298 178.217 175.800 0.199 0.000 1.129 439 F CA 2.436 60.591 58.000 0.258 0.000 1.195 439 F CB -0.956 38.136 39.000 0.153 0.000 0.960 439 F HN -0.010 nan 8.300 nan 0.000 0.485 440 D N 0.249 120.892 120.400 0.405 0.000 2.263 440 D HA -0.277 4.420 4.640 0.096 0.000 0.193 440 D C 1.946 178.265 176.300 0.032 0.000 1.013 440 D CA 1.726 55.881 54.000 0.259 0.000 0.892 440 D CB -0.434 40.487 40.800 0.203 0.000 0.909 440 D HN 0.633 nan 8.370 nan 0.000 0.449 441 E N -0.195 119.992 120.200 -0.021 0.000 1.983 441 E HA -0.075 4.332 4.350 0.096 0.000 0.202 441 E C 0.616 177.143 176.600 -0.121 0.000 0.944 441 E CA 0.568 56.904 56.400 -0.107 0.000 0.903 441 E CB 0.292 29.855 29.700 -0.227 0.000 0.843 441 E HN -0.165 nan 8.360 nan 0.000 0.542 442 K N 0.465 120.805 120.400 -0.100 0.000 2.811 442 K HA 0.150 4.527 4.320 0.096 0.000 0.217 442 K C 0.271 176.787 176.600 -0.139 0.000 1.115 442 K CA 0.007 56.236 56.287 -0.097 0.000 1.179 442 K CB 0.704 33.175 32.500 -0.047 0.000 0.994 442 K HN 0.179 nan 8.250 nan 0.000 0.464 443 L N -0.882 120.146 121.223 -0.325 0.000 2.694 443 L HA 0.167 4.564 4.340 0.096 0.000 0.228 443 L C 1.802 178.156 176.870 -0.861 0.000 1.048 443 L CA 0.742 55.245 54.840 -0.562 0.000 0.887 443 L CB -0.298 41.367 42.059 -0.658 0.000 1.265 443 L HN 0.243 nan 8.230 nan 0.000 0.492 444 N N -0.235 117.871 118.700 -0.990 0.000 2.005 444 N HA -0.304 4.493 4.740 0.096 0.000 0.199 444 N C 1.983 177.330 175.510 -0.271 0.000 1.054 444 N CA 2.530 55.283 53.050 -0.496 0.000 0.864 444 N CB -0.065 38.352 38.487 -0.118 0.000 1.063 444 N HN 0.355 nan 8.380 nan 0.000 0.428 445 S N 0.237 115.796 115.700 -0.236 0.000 2.399 445 S HA -0.263 4.265 4.470 0.096 0.000 0.235 445 S C 1.993 176.427 174.600 -0.276 0.000 1.063 445 S CA 1.544 59.623 58.200 -0.203 0.000 1.070 445 S CB -0.995 62.102 63.200 -0.172 0.000 0.904 445 S HN 0.362 nan 8.310 nan 0.000 0.456 446 L N 1.510 122.515 121.223 -0.363 0.000 2.012 446 L HA -0.036 4.361 4.340 0.096 0.000 0.210 446 L C 2.806 179.151 176.870 -0.875 0.000 1.073 446 L CA 1.656 56.161 54.840 -0.558 0.000 0.748 446 L CB -1.110 40.644 42.059 -0.507 0.000 0.891 446 L HN 0.575 nan 8.230 nan 0.000 0.431 447 C N -1.021 117.924 119.300 -0.591 0.000 2.419 447 C HA -0.127 4.391 4.460 0.096 0.000 0.283 447 C C 2.672 177.601 174.990 -0.102 0.000 1.373 447 C CA 0.452 59.276 59.018 -0.323 0.000 1.781 447 C CB -0.938 26.918 27.740 0.194 0.000 1.886 447 C HN 0.513 nan 8.230 nan 0.000 0.520 448 M N 0.612 120.121 119.600 -0.152 0.000 2.394 448 M HA 0.047 4.584 4.480 0.096 0.000 0.266 448 M C 2.583 178.826 176.300 -0.096 0.000 1.098 448 M CA 1.370 56.626 55.300 -0.074 0.000 1.149 448 M CB -1.313 31.236 32.600 -0.085 0.000 1.369 448 M HN 0.375 nan 8.290 nan 0.000 0.450 449 A N 0.369 123.070 122.820 -0.197 0.000 1.883 449 A HA -0.199 4.179 4.320 0.096 0.000 0.217 449 A C 1.803 179.391 177.584 0.007 0.000 1.186 449 A CA 1.428 53.379 52.037 -0.144 0.000 0.624 449 A CB -1.135 17.735 19.000 -0.217 0.000 0.822 449 A HN 0.587 nan 8.150 nan 0.000 0.444 450 W N -0.098 121.213 121.300 0.019 0.000 2.313 450 W HA -0.144 4.574 4.660 0.096 0.000 0.293 450 W C 1.514 178.035 176.519 0.003 0.000 1.216 450 W CA 0.612 57.975 57.345 0.031 0.000 1.223 450 W CB -0.997 28.494 29.460 0.052 0.000 1.138 450 W HN 0.197 nan 8.180 nan 0.000 0.535 451 L N 0.015 121.341 121.223 0.172 0.000 2.651 451 L HA -0.112 4.285 4.340 0.096 0.000 0.236 451 L C 1.095 177.964 176.870 -0.002 0.000 1.173 451 L CA 1.146 56.025 54.840 0.065 0.000 0.843 451 L CB -1.407 40.654 42.059 0.003 0.000 0.964 451 L HN -0.141 nan 8.230 nan 0.000 0.454 452 V N -1.787 118.137 119.914 0.016 0.000 3.199 452 V HA 0.116 4.293 4.120 0.096 0.000 0.331 452 V C 0.247 176.381 176.094 0.066 0.000 1.446 452 V CA -0.765 61.519 62.300 -0.027 0.000 1.120 452 V CB 0.944 32.645 31.823 -0.204 0.000 1.051 452 V HN 0.193 nan 8.190 nan 0.000 0.495 453 D N -0.102 120.380 120.400 0.137 0.000 2.443 453 D HA 0.051 4.749 4.640 0.096 0.000 0.239 453 D C 1.351 177.745 176.300 0.156 0.000 1.136 453 D CA 0.293 54.417 54.000 0.207 0.000 0.879 453 D CB 0.786 41.723 40.800 0.229 0.000 1.195 453 D HN 0.322 nan 8.370 nan 0.000 0.443 454 H N 1.063 120.198 119.070 0.108 0.000 2.394 454 H HA -0.062 4.551 4.556 0.096 0.000 0.297 454 H C 0.628 175.997 175.328 0.068 0.000 1.113 454 H CA 1.122 57.222 56.048 0.088 0.000 1.277 454 H CB -0.121 29.694 29.762 0.087 0.000 1.370 454 H HN 0.130 nan 8.280 nan 0.000 0.506 455 V N 0.828 120.846 119.914 0.173 0.000 2.370 455 V HA 0.069 4.246 4.120 0.096 0.000 0.279 455 V C 1.034 177.161 176.094 0.056 0.000 1.029 455 V CA -0.703 61.633 62.300 0.061 0.000 0.870 455 V CB 0.537 32.321 31.823 -0.065 0.000 0.984 455 V HN 0.364 nan 8.190 nan 0.000 0.451 456 Y N 6.926 127.180 120.300 -0.077 0.000 2.030 456 Y HA -0.315 4.293 4.550 0.095 0.000 0.272 456 Y C 2.222 178.065 175.900 -0.094 0.000 1.185 456 Y CA 3.229 61.291 58.100 -0.063 0.000 1.120 456 Y CB -0.734 37.685 38.460 -0.067 0.000 0.955 456 Y HN 0.776 nan 8.280 nan 0.000 0.495 457 A N 0.833 123.783 122.820 0.218 0.000 1.940 457 A HA -0.275 4.102 4.320 0.096 0.000 0.221 457 A C 2.287 179.821 177.584 -0.083 0.000 1.190 457 A CA 2.378 54.427 52.037 0.021 0.000 0.647 457 A CB -1.152 17.698 19.000 -0.251 0.000 0.821 457 A HN 0.593 nan 8.150 nan 0.000 0.457 458 I N -0.621 119.906 120.570 -0.072 0.000 2.179 458 I HA -0.207 4.020 4.170 0.096 0.000 0.242 458 I C 2.657 178.743 176.117 -0.052 0.000 1.088 458 I CA 1.566 62.839 61.300 -0.045 0.000 1.357 458 I CB -1.252 36.758 38.000 0.018 0.000 1.051 458 I HN 0.401 nan 8.210 nan 0.000 0.409 459 R N 0.392 120.862 120.500 -0.050 0.000 2.080 459 R HA -0.227 4.170 4.340 0.096 0.000 0.236 459 R C 2.175 178.417 176.300 -0.097 0.000 1.137 459 R CA 1.508 57.587 56.100 -0.035 0.000 0.943 459 R CB -0.435 29.834 30.300 -0.053 0.000 0.846 459 R HN 0.248 nan 8.270 nan 0.000 0.431 460 E N 0.824 120.865 120.200 -0.265 0.000 2.086 460 E HA -0.222 4.185 4.350 0.096 0.000 0.200 460 E C 1.862 178.394 176.600 -0.113 0.000 1.012 460 E CA 1.913 58.150 56.400 -0.271 0.000 0.812 460 E CB -0.238 29.215 29.700 -0.411 0.000 0.743 460 E HN 0.370 nan 8.360 nan 0.000 0.453 461 A N 0.584 123.353 122.820 -0.085 0.000 1.877 461 A HA -0.099 4.278 4.320 0.096 0.000 0.216 461 A C 2.464 180.047 177.584 -0.001 0.000 1.186 461 A CA 2.359 54.368 52.037 -0.046 0.000 0.620 461 A CB -1.188 17.771 19.000 -0.069 0.000 0.822 461 A HN 0.383 nan 8.150 nan 0.000 0.443 462 A N -0.822 122.015 122.820 0.029 0.000 1.917 462 A HA -0.174 4.204 4.320 0.096 0.000 0.219 462 A C 2.308 179.986 177.584 0.157 0.000 1.182 462 A CA 2.595 54.741 52.037 0.182 0.000 0.633 462 A CB -1.437 17.742 19.000 0.300 0.000 0.819 462 A HN 0.483 nan 8.150 nan 0.000 0.448 463 T N -0.790 113.814 114.554 0.084 0.000 2.674 463 T HA -0.140 4.267 4.350 0.096 0.000 0.265 463 T C 2.261 177.000 174.700 0.065 0.000 1.039 463 T CA 1.659 63.801 62.100 0.071 0.000 1.150 463 T CB -0.459 68.432 68.868 0.038 0.000 0.864 463 T HN 0.484 nan 8.240 nan 0.000 0.427 464 S N 1.067 116.789 115.700 0.037 0.000 2.370 464 S HA -0.194 4.333 4.470 0.096 0.000 0.226 464 S C 2.123 176.757 174.600 0.057 0.000 1.033 464 S CA 1.411 59.629 58.200 0.031 0.000 1.011 464 S CB -0.772 62.433 63.200 0.009 0.000 0.852 464 S HN 0.581 nan 8.310 nan 0.000 0.457 465 N N 0.679 119.430 118.700 0.084 0.000 2.096 465 N HA -0.172 4.626 4.740 0.096 0.000 0.195 465 N C 1.794 177.387 175.510 0.138 0.000 1.017 465 N CA 1.698 54.822 53.050 0.124 0.000 0.870 465 N CB -0.288 38.330 38.487 0.219 0.000 1.024 465 N HN 0.410 nan 8.380 nan 0.000 0.434 466 L N 1.133 122.451 121.223 0.159 0.000 1.955 466 L HA -0.220 4.177 4.340 0.096 0.000 0.213 466 L C 2.756 179.711 176.870 0.142 0.000 1.072 466 L CA 1.616 56.564 54.840 0.180 0.000 0.755 466 L CB -1.038 41.105 42.059 0.141 0.000 0.888 466 L HN 0.306 nan 8.230 nan 0.000 0.432 467 K N 0.504 120.960 120.400 0.094 0.000 2.052 467 K HA -0.257 4.120 4.320 0.096 0.000 0.215 467 K C 2.234 178.856 176.600 0.036 0.000 1.053 467 K CA 1.798 58.124 56.287 0.065 0.000 0.934 467 K CB 0.017 32.541 32.500 0.040 0.000 0.717 467 K HN 0.161 nan 8.250 nan 0.000 0.450 468 K N 0.842 121.250 120.400 0.013 0.000 2.009 468 K HA -0.157 4.220 4.320 0.096 0.000 0.210 468 K C 2.320 178.848 176.600 -0.120 0.000 1.049 468 K CA 1.364 57.623 56.287 -0.046 0.000 0.929 468 K CB -0.658 31.817 32.500 -0.041 0.000 0.714 468 K HN 0.295 nan 8.250 nan 0.000 0.440 469 L N 0.902 122.068 121.223 -0.094 0.000 2.081 469 L HA -0.219 4.179 4.340 0.096 0.000 0.212 469 L C 2.483 179.218 176.870 -0.226 0.000 1.080 469 L CA 0.964 55.654 54.840 -0.250 0.000 0.754 469 L CB -0.442 41.629 42.059 0.020 0.000 0.893 469 L HN -0.061 nan 8.230 nan 0.000 0.433 470 V N -0.310 119.683 119.914 0.131 0.000 2.270 470 V HA -0.267 3.910 4.120 0.096 0.000 0.245 470 V C 2.311 178.427 176.094 0.038 0.000 1.043 470 V CA 1.838 64.291 62.300 0.256 0.000 1.014 470 V CB -0.532 31.444 31.823 0.256 0.000 0.645 470 V HN 0.476 nan 8.190 nan 0.000 0.447 471 E N 0.090 120.274 120.200 -0.027 0.000 2.187 471 E HA -0.339 4.068 4.350 0.096 0.000 0.199 471 E C 2.118 178.630 176.600 -0.145 0.000 1.004 471 E CA 1.683 58.045 56.400 -0.063 0.000 0.813 471 E CB -0.164 29.497 29.700 -0.066 0.000 0.736 471 E HN 0.445 nan 8.360 nan 0.000 0.468 472 K N -0.400 119.811 120.400 -0.315 0.000 2.314 472 K HA -0.008 4.370 4.320 0.096 0.000 0.198 472 K C 0.766 177.073 176.600 -0.488 0.000 1.045 472 K CA 0.618 56.603 56.287 -0.503 0.000 0.988 472 K CB 0.325 32.318 32.500 -0.844 0.000 0.783 472 K HN -0.015 nan 8.250 nan 0.000 0.484 473 F N -0.362 119.366 119.950 -0.370 0.000 2.746 473 F HA 0.431 5.016 4.527 0.096 0.000 0.320 473 F C 0.345 176.050 175.800 -0.158 0.000 1.097 473 F CA -0.238 57.473 58.000 -0.483 0.000 1.195 473 F CB 0.913 39.122 39.000 -1.318 0.000 1.056 473 F HN 0.036 nan 8.300 nan 0.000 0.562 474 G N 1.585 110.480 108.800 0.159 0.000 2.879 474 G HA2 -0.222 3.795 3.960 0.096 0.000 0.686 474 G HA3 -0.222 3.795 3.960 0.096 0.000 0.686 474 G C 0.792 175.863 174.900 0.284 0.000 1.115 474 G CA -0.217 44.996 45.100 0.188 0.000 0.770 474 G HN 0.409 nan 8.290 nan 0.000 0.601 475 K N 0.470 120.983 120.400 0.188 0.000 2.211 475 K HA -0.131 4.246 4.320 0.096 0.000 0.204 475 K C 1.816 178.518 176.600 0.169 0.000 1.047 475 K CA 2.037 58.427 56.287 0.171 0.000 0.935 475 K CB -0.055 32.512 32.500 0.112 0.000 0.728 475 K HN 0.584 nan 8.250 nan 0.000 0.452 476 E N 1.170 121.461 120.200 0.152 0.000 2.038 476 E HA -0.235 4.172 4.350 0.096 0.000 0.195 476 E C 1.860 178.562 176.600 0.169 0.000 1.000 476 E CA 1.394 57.855 56.400 0.102 0.000 0.803 476 E CB -0.828 28.918 29.700 0.076 0.000 0.750 476 E HN 0.583 nan 8.360 nan 0.000 0.448 477 W N 2.403 123.726 121.300 0.038 0.000 2.318 477 W HA -0.207 4.510 4.660 0.096 0.000 0.313 477 W C 2.620 179.173 176.519 0.058 0.000 1.221 477 W CA 2.697 60.063 57.345 0.035 0.000 1.266 477 W CB -0.513 28.966 29.460 0.032 0.000 1.150 477 W HN 0.125 nan 8.180 nan 0.000 0.496 478 A N -0.121 122.745 122.820 0.077 0.000 1.859 478 A HA -0.376 4.001 4.320 0.096 0.000 0.217 478 A C 2.199 179.659 177.584 -0.207 0.000 1.198 478 A CA 2.229 54.173 52.037 -0.155 0.000 0.629 478 A CB -1.884 17.155 19.000 0.064 0.000 0.830 478 A HN 0.645 nan 8.150 nan 0.000 0.446 479 H N 0.059 119.026 119.070 -0.170 0.000 2.394 479 H HA -0.118 4.495 4.556 0.095 0.000 0.297 479 H C 1.754 176.920 175.328 -0.269 0.000 1.113 479 H CA 2.148 58.057 56.048 -0.231 0.000 1.277 479 H CB -0.170 29.488 29.762 -0.174 0.000 1.370 479 H HN 0.407 nan 8.280 nan 0.000 0.506 480 A N -1.260 121.549 122.820 -0.019 0.000 2.431 480 A HA 0.193 4.570 4.320 0.096 0.000 0.239 480 A C 1.914 179.375 177.584 -0.205 0.000 1.230 480 A CA 0.446 52.450 52.037 -0.055 0.000 0.928 480 A CB 0.277 19.325 19.000 0.080 0.000 1.006 480 A HN 0.426 nan 8.150 nan 0.000 0.520 481 T N -0.797 113.534 114.554 -0.371 0.000 2.989 481 T HA 0.230 4.637 4.350 0.096 0.000 0.250 481 T C 1.375 175.832 174.700 -0.406 0.000 0.981 481 T CA 0.492 62.330 62.100 -0.438 0.000 0.980 481 T CB 0.045 68.456 68.868 -0.761 0.000 1.133 481 T HN 0.184 nan 8.240 nan 0.000 0.489 482 I N 1.199 121.493 120.570 -0.460 0.000 3.325 482 I HA 0.167 4.394 4.170 0.096 0.000 0.237 482 I C 2.265 178.250 176.117 -0.220 0.000 1.068 482 I CA 0.276 61.388 61.300 -0.313 0.000 1.511 482 I CB -1.166 36.640 38.000 -0.322 0.000 1.409 482 I HN 0.068 nan 8.210 nan 0.000 0.464 483 I N 1.827 122.261 120.570 -0.226 0.000 2.178 483 I HA -0.295 3.933 4.170 0.096 0.000 0.243 483 I C -0.116 175.897 176.117 -0.174 0.000 1.019 483 I CA 2.521 63.704 61.300 -0.195 0.000 1.294 483 I CB -2.815 35.012 38.000 -0.289 0.000 0.996 483 I HN 0.171 nan 8.210 nan 0.000 0.415 484 P HA -0.185 nan 4.420 nan 0.000 0.205 484 P C 1.632 178.864 177.300 -0.113 0.000 1.181 484 P CA 1.672 64.680 63.100 -0.153 0.000 0.933 484 P CB -0.192 31.410 31.700 -0.163 0.000 0.775 485 K N -0.603 119.727 120.400 -0.116 0.000 2.207 485 K HA -0.165 4.212 4.320 0.096 0.000 0.208 485 K C 1.944 178.491 176.600 -0.088 0.000 1.046 485 K CA 1.328 57.556 56.287 -0.097 0.000 0.929 485 K CB -1.082 31.358 32.500 -0.100 0.000 0.720 485 K HN 0.049 nan 8.250 nan 0.000 0.463 486 V N 1.603 121.464 119.914 -0.089 0.000 2.255 486 V HA -0.208 3.970 4.120 0.096 0.000 0.243 486 V C 2.247 178.300 176.094 -0.069 0.000 1.038 486 V CA 1.452 63.708 62.300 -0.074 0.000 1.008 486 V CB -0.308 31.476 31.823 -0.064 0.000 0.645 486 V HN 0.272 nan 8.190 nan 0.000 0.449 487 L N 0.119 121.303 121.223 -0.064 0.000 2.042 487 L HA -0.196 4.202 4.340 0.096 0.000 0.210 487 L C 2.735 179.575 176.870 -0.050 0.000 1.076 487 L CA 1.697 56.507 54.840 -0.050 0.000 0.749 487 L CB -0.918 41.119 42.059 -0.036 0.000 0.893 487 L HN 0.401 nan 8.230 nan 0.000 0.432 488 A N -0.251 122.535 122.820 -0.056 0.000 1.978 488 A HA -0.291 4.087 4.320 0.096 0.000 0.220 488 A C 2.305 179.858 177.584 -0.051 0.000 1.170 488 A CA 1.992 53.999 52.037 -0.051 0.000 0.636 488 A CB -0.586 18.381 19.000 -0.056 0.000 0.810 488 A HN 0.474 nan 8.150 nan 0.000 0.448 489 M N 0.775 120.337 119.600 -0.063 0.000 2.549 489 M HA -0.101 4.436 4.480 0.096 0.000 0.260 489 M C 1.661 177.929 176.300 -0.054 0.000 1.076 489 M CA 1.553 56.812 55.300 -0.069 0.000 1.090 489 M CB -0.201 32.343 32.600 -0.094 0.000 1.418 489 M HN 0.535 nan 8.290 nan 0.000 0.486 490 S N -1.379 114.289 115.700 -0.053 0.000 2.650 490 S HA 0.132 4.659 4.470 0.096 0.000 0.219 490 S C 1.434 176.015 174.600 -0.031 0.000 0.960 490 S CA 0.236 58.406 58.200 -0.050 0.000 0.925 490 S CB -0.337 62.831 63.200 -0.053 0.000 0.775 490 S HN 0.572 nan 8.310 nan 0.000 0.525 491 G N 0.900 109.685 108.800 -0.024 0.000 2.651 491 G HA2 0.052 4.069 3.960 0.096 0.000 0.207 491 G HA3 0.052 4.069 3.960 0.096 0.000 0.207 491 G C 0.236 175.137 174.900 0.001 0.000 1.131 491 G CA -0.162 44.930 45.100 -0.013 0.000 0.816 491 G HN 0.512 nan 8.290 nan 0.000 0.534 492 D N 1.868 122.273 120.400 0.009 0.000 2.662 492 D HA -0.029 4.668 4.640 0.096 0.000 0.233 492 D C -0.430 175.896 176.300 0.044 0.000 1.129 492 D CA -1.153 52.871 54.000 0.039 0.000 0.851 492 D CB 1.587 42.437 40.800 0.084 0.000 1.152 492 D HN 0.115 nan 8.370 nan 0.000 0.507 493 P HA -0.218 nan 4.420 nan 0.000 0.217 493 P C 0.533 177.861 177.300 0.047 0.000 1.151 493 P CA 0.576 63.697 63.100 0.035 0.000 0.849 493 P CB 0.061 31.777 31.700 0.028 0.000 0.787 494 N N 0.502 119.220 118.700 0.029 0.000 2.427 494 N HA -0.099 4.698 4.740 0.096 0.000 0.269 494 N C 1.248 176.734 175.510 -0.041 0.000 1.235 494 N CA -0.123 52.904 53.050 -0.037 0.000 0.934 494 N CB 0.109 38.435 38.487 -0.269 0.000 1.121 494 N HN 0.096 nan 8.380 nan 0.000 0.480 495 Y N 4.160 124.385 120.300 -0.126 0.000 2.207 495 Y HA -0.142 4.465 4.550 0.096 0.000 0.287 495 Y C 1.719 177.530 175.900 -0.148 0.000 1.156 495 Y CA 0.948 58.981 58.100 -0.111 0.000 1.182 495 Y CB -0.651 37.760 38.460 -0.081 0.000 0.979 495 Y HN 0.467 nan 8.280 nan 0.000 0.521 496 L N -0.073 120.544 121.223 -1.009 0.000 1.990 496 L HA -0.292 4.105 4.340 0.096 0.000 0.213 496 L C 2.806 179.432 176.870 -0.405 0.000 1.072 496 L CA 1.925 56.267 54.840 -0.831 0.000 0.755 496 L CB -0.912 40.689 42.059 -0.763 0.000 0.889 496 L HN 0.306 nan 8.230 nan 0.000 0.432 497 H N -0.228 118.672 119.070 -0.284 0.000 2.353 497 H HA -0.172 4.441 4.556 0.095 0.000 0.298 497 H C 2.481 177.666 175.328 -0.238 0.000 1.103 497 H CA 1.436 57.353 56.048 -0.218 0.000 1.293 497 H CB -0.353 29.324 29.762 -0.142 0.000 1.372 497 H HN 0.201 nan 8.280 nan 0.000 0.501 498 R N -0.198 120.250 120.500 -0.087 0.000 2.120 498 R HA -0.076 4.321 4.340 0.096 0.000 0.234 498 R C 2.594 178.727 176.300 -0.278 0.000 1.123 498 R CA 1.152 57.172 56.100 -0.134 0.000 0.975 498 R CB -0.136 30.113 30.300 -0.086 0.000 0.866 498 R HN 0.288 nan 8.270 nan 0.000 0.446 499 M N -0.903 118.455 119.600 -0.404 0.000 2.077 499 M HA -0.156 4.381 4.480 0.096 0.000 0.261 499 M C 2.036 177.633 176.300 -1.173 0.000 1.070 499 M CA 1.843 56.689 55.300 -0.757 0.000 1.125 499 M CB -0.366 31.794 32.600 -0.734 0.000 1.339 499 M HN 0.117 nan 8.290 nan 0.000 0.409 500 T N 0.527 114.620 114.554 -0.769 0.000 2.680 500 T HA -0.196 4.211 4.350 0.096 0.000 0.268 500 T C 1.692 176.191 174.700 -0.334 0.000 1.033 500 T CA 2.116 63.930 62.100 -0.477 0.000 1.152 500 T CB -0.629 68.148 68.868 -0.151 0.000 0.859 500 T HN 0.465 nan 8.240 nan 0.000 0.452 501 T N 2.465 116.850 114.554 -0.282 0.000 2.622 501 T HA -0.029 4.379 4.350 0.096 0.000 0.266 501 T C 1.979 176.592 174.700 -0.144 0.000 1.047 501 T CA 1.072 63.072 62.100 -0.167 0.000 1.159 501 T CB -0.601 68.183 68.868 -0.139 0.000 0.863 501 T HN 0.283 nan 8.240 nan 0.000 0.422 502 L N -0.177 120.910 121.223 -0.226 0.000 2.187 502 L HA -0.079 4.318 4.340 0.096 0.000 0.213 502 L C 2.355 179.276 176.870 0.086 0.000 1.100 502 L CA 1.391 56.169 54.840 -0.102 0.000 0.765 502 L CB -0.668 41.306 42.059 -0.141 0.000 0.904 502 L HN 0.338 nan 8.230 nan 0.000 0.437 503 F N -1.171 118.733 119.950 -0.076 0.000 2.098 503 F HA -0.234 4.350 4.527 0.096 0.000 0.294 503 F C 2.823 178.592 175.800 -0.051 0.000 1.107 503 F CA 0.508 58.465 58.000 -0.072 0.000 1.234 503 F CB -0.631 38.318 39.000 -0.085 0.000 1.002 503 F HN 0.138 nan 8.300 nan 0.000 0.472 504 C N 1.169 120.557 119.300 0.146 0.000 2.376 504 C HA -0.236 4.281 4.460 0.096 0.000 0.275 504 C C 2.691 177.714 174.990 0.056 0.000 1.200 504 C CA 0.889 59.952 59.018 0.074 0.000 1.756 504 C CB -1.208 26.549 27.740 0.029 0.000 2.050 504 C HN 0.410 nan 8.230 nan 0.000 0.460 505 I N 1.206 121.800 120.570 0.040 0.000 2.145 505 I HA -0.309 3.918 4.170 0.096 0.000 0.244 505 I C 2.133 178.275 176.117 0.042 0.000 1.075 505 I CA 2.121 63.439 61.300 0.031 0.000 1.332 505 I CB -0.768 37.244 38.000 0.019 0.000 1.033 505 I HN 0.507 nan 8.210 nan 0.000 0.410 506 N N -0.110 118.627 118.700 0.063 0.000 2.137 506 N HA -0.166 4.631 4.740 0.096 0.000 0.190 506 N C 1.727 177.255 175.510 0.029 0.000 1.017 506 N CA 1.354 54.431 53.050 0.045 0.000 0.859 506 N CB -0.034 38.484 38.487 0.051 0.000 1.002 506 N HN 0.125 nan 8.380 nan 0.000 0.428 507 V N 0.645 120.581 119.914 0.036 0.000 2.331 507 V HA -0.084 4.093 4.120 0.096 0.000 0.242 507 V C 2.109 178.223 176.094 0.034 0.000 1.034 507 V CA 0.944 63.261 62.300 0.028 0.000 1.027 507 V CB -0.447 31.395 31.823 0.032 0.000 0.667 507 V HN 0.283 nan 8.190 nan 0.000 0.457 508 L N 1.253 122.500 121.223 0.040 0.000 2.043 508 L HA -0.200 4.197 4.340 0.096 0.000 0.212 508 L C 2.824 179.718 176.870 0.041 0.000 1.075 508 L CA 2.618 57.483 54.840 0.043 0.000 0.752 508 L CB -1.865 40.214 42.059 0.033 0.000 0.891 508 L HN 0.650 nan 8.230 nan 0.000 0.432 509 S N -0.511 115.211 115.700 0.036 0.000 2.407 509 S HA -0.257 4.270 4.470 0.096 0.000 0.235 509 S C 1.682 176.303 174.600 0.034 0.000 1.036 509 S CA 1.495 59.716 58.200 0.036 0.000 1.013 509 S CB -0.546 62.673 63.200 0.031 0.000 0.820 509 S HN 0.511 nan 8.310 nan 0.000 0.476 510 E N 0.560 120.778 120.200 0.030 0.000 2.209 510 E HA -0.082 4.325 4.350 0.096 0.000 0.196 510 E C 1.698 178.317 176.600 0.030 0.000 0.993 510 E CA 1.528 57.943 56.400 0.026 0.000 0.819 510 E CB -0.147 29.565 29.700 0.020 0.000 0.745 510 E HN 0.765 nan 8.360 nan 0.000 0.477 511 V N -3.905 116.032 119.914 0.039 0.000 3.346 511 V HA 0.196 4.374 4.120 0.096 0.000 0.309 511 V C 1.076 177.205 176.094 0.058 0.000 1.457 511 V CA -0.342 61.985 62.300 0.045 0.000 1.069 511 V CB 0.057 31.909 31.823 0.048 0.000 0.944 511 V HN 0.148 nan 8.190 nan 0.000 0.449 512 C N 1.774 121.109 119.300 0.058 0.000 2.906 512 C HA 0.693 5.210 4.460 0.096 0.000 0.274 512 C C 1.588 176.616 174.990 0.064 0.000 1.257 512 C CA 0.226 59.285 59.018 0.068 0.000 1.695 512 C CB -1.212 26.568 27.740 0.067 0.000 1.958 512 C HN 1.150 nan 8.230 nan 0.000 0.619 513 G N 0.803 109.634 108.800 0.052 0.000 2.785 513 G HA2 -0.244 3.773 3.960 0.096 0.000 0.685 513 G HA3 -0.244 3.773 3.960 0.096 0.000 0.685 513 G C 0.331 175.261 174.900 0.050 0.000 1.480 513 G CA 0.304 45.433 45.100 0.047 0.000 0.915 513 G HN 0.402 nan 8.290 nan 0.000 0.576 514 Q N -0.302 119.523 119.800 0.042 0.000 1.943 514 Q HA -0.221 4.177 4.340 0.096 0.000 0.213 514 Q C 2.153 178.183 176.000 0.050 0.000 1.017 514 Q CA 2.382 58.209 55.803 0.040 0.000 0.874 514 Q CB -0.260 28.497 28.738 0.032 0.000 0.960 514 Q HN 0.706 nan 8.270 nan 0.000 0.417 515 D N -0.305 120.125 120.400 0.050 0.000 2.292 515 D HA -0.192 4.505 4.640 0.096 0.000 0.205 515 D C 1.687 178.045 176.300 0.096 0.000 0.994 515 D CA 1.257 55.293 54.000 0.060 0.000 0.897 515 D CB -0.055 40.777 40.800 0.053 0.000 0.907 515 D HN 0.416 nan 8.370 nan 0.000 0.467 516 I N -0.187 120.450 120.570 0.112 0.000 3.081 516 I HA -0.106 4.122 4.170 0.096 0.000 0.274 516 I C 2.125 178.335 176.117 0.156 0.000 1.178 516 I CA 0.441 61.848 61.300 0.178 0.000 1.460 516 I CB -0.051 38.047 38.000 0.164 0.000 1.137 516 I HN -0.127 nan 8.210 nan 0.000 0.443 517 T N 0.401 115.012 114.554 0.096 0.000 2.737 517 T HA -0.138 4.269 4.350 0.096 0.000 0.265 517 T C 1.882 176.616 174.700 0.058 0.000 1.038 517 T CA 1.996 64.138 62.100 0.071 0.000 1.144 517 T CB -0.427 68.472 68.868 0.050 0.000 0.866 517 T HN 0.270 nan 8.240 nan 0.000 0.434 518 T N 1.203 115.785 114.554 0.046 0.000 2.881 518 T HA -0.036 4.371 4.350 0.096 0.000 0.270 518 T C 1.790 176.488 174.700 -0.003 0.000 1.068 518 T CA 1.115 63.228 62.100 0.022 0.000 1.131 518 T CB -0.055 68.825 68.868 0.020 0.000 0.871 518 T HN 0.377 nan 8.240 nan 0.000 0.479 519 K N -0.701 119.696 120.400 -0.005 0.000 2.355 519 K HA 0.102 4.479 4.320 0.096 0.000 0.198 519 K C 1.333 177.741 176.600 -0.319 0.000 1.039 519 K CA 0.146 56.356 56.287 -0.128 0.000 1.075 519 K CB 0.415 32.837 32.500 -0.129 0.000 0.870 519 K HN 0.316 nan 8.250 nan 0.000 0.540 520 H N -1.298 117.769 119.070 -0.004 0.000 3.457 520 H HA 0.242 4.855 4.556 0.096 0.000 0.255 520 H C 1.104 176.408 175.328 -0.039 0.000 1.082 520 H CA 0.392 56.418 56.048 -0.036 0.000 1.189 520 H CB 0.843 30.562 29.762 -0.072 0.000 1.511 520 H HN 0.147 nan 8.280 nan 0.000 0.527 521 M N -0.754 118.888 119.600 0.070 0.000 2.902 521 M HA 0.023 4.561 4.480 0.096 0.000 0.225 521 M C 1.905 178.213 176.300 0.013 0.000 1.711 521 M CA 0.116 55.436 55.300 0.035 0.000 1.213 521 M CB 0.199 32.822 32.600 0.038 0.000 1.265 521 M HN -0.015 nan 8.290 nan 0.000 0.577 522 L N 2.308 123.540 121.223 0.015 0.000 2.123 522 L HA -0.151 4.246 4.340 0.096 0.000 0.217 522 L C -1.068 175.801 176.870 -0.002 0.000 1.081 522 L CA 2.521 57.366 54.840 0.007 0.000 0.772 522 L CB -1.537 40.527 42.059 0.008 0.000 0.890 522 L HN 0.052 nan 8.230 nan 0.000 0.437 523 P HA -0.074 nan 4.420 nan 0.000 0.208 523 P C 1.666 178.957 177.300 -0.015 0.000 1.203 523 P CA 2.165 65.254 63.100 -0.019 0.000 0.920 523 P CB -0.219 31.460 31.700 -0.036 0.000 0.769 524 T N -0.412 114.133 114.554 -0.016 0.000 2.760 524 T HA -0.144 4.263 4.350 0.096 0.000 0.269 524 T C 1.773 176.461 174.700 -0.019 0.000 1.047 524 T CA 1.310 63.400 62.100 -0.018 0.000 1.139 524 T CB -1.181 67.675 68.868 -0.019 0.000 0.855 524 T HN -0.132 nan 8.240 nan 0.000 0.471 525 V N 1.321 121.227 119.914 -0.013 0.000 2.270 525 V HA -0.109 4.068 4.120 0.096 0.000 0.245 525 V C 2.491 178.580 176.094 -0.009 0.000 1.043 525 V CA 1.502 63.794 62.300 -0.013 0.000 1.014 525 V CB -0.699 31.122 31.823 -0.004 0.000 0.645 525 V HN 0.448 nan 8.190 nan 0.000 0.447 526 L N -0.307 120.913 121.223 -0.004 0.000 2.127 526 L HA -0.199 4.198 4.340 0.096 0.000 0.211 526 L C 2.718 179.587 176.870 -0.001 0.000 1.089 526 L CA 1.779 56.620 54.840 0.001 0.000 0.757 526 L CB -0.630 41.431 42.059 0.002 0.000 0.899 526 L HN 0.284 nan 8.230 nan 0.000 0.434 527 R N 0.542 121.038 120.500 -0.007 0.000 2.066 527 R HA -0.137 4.260 4.340 0.096 0.000 0.232 527 R C 2.299 178.594 176.300 -0.008 0.000 1.131 527 R CA 1.444 57.540 56.100 -0.008 0.000 0.955 527 R CB -0.157 30.136 30.300 -0.012 0.000 0.851 527 R HN 0.265 nan 8.270 nan 0.000 0.432 528 M N 0.263 119.854 119.600 -0.014 0.000 2.539 528 M HA -0.035 4.503 4.480 0.096 0.000 0.261 528 M C 1.813 178.107 176.300 -0.009 0.000 1.069 528 M CA 1.038 56.327 55.300 -0.018 0.000 1.081 528 M CB 0.071 32.649 32.600 -0.036 0.000 1.412 528 M HN 0.225 nan 8.290 nan 0.000 0.482 529 A N 0.509 123.329 122.820 -0.001 0.000 2.276 529 A HA 0.133 4.510 4.320 0.096 0.000 0.205 529 A C 1.448 179.044 177.584 0.019 0.000 1.234 529 A CA 1.141 53.185 52.037 0.013 0.000 0.797 529 A CB -0.997 18.015 19.000 0.019 0.000 0.769 529 A HN 0.552 nan 8.150 nan 0.000 0.491 530 G N -0.864 107.943 108.800 0.012 0.000 4.803 530 G HA2 0.299 4.316 3.960 0.096 0.000 0.266 530 G HA3 0.299 4.316 3.960 0.096 0.000 0.266 530 G C -0.695 174.211 174.900 0.010 0.000 1.111 530 G CA -0.173 44.936 45.100 0.014 0.000 0.874 530 G HN 0.249 nan 8.290 nan 0.000 0.555 531 D N 1.484 121.890 120.400 0.011 0.000 2.256 531 D HA 0.206 4.903 4.640 0.096 0.000 0.250 531 D C -0.905 175.403 176.300 0.013 0.000 1.093 531 D CA -1.813 52.193 54.000 0.009 0.000 0.882 531 D CB 2.778 43.581 40.800 0.006 0.000 1.185 531 D HN 0.027 nan 8.370 nan 0.000 0.437 532 P HA -0.120 nan 4.420 nan 0.000 0.220 532 P C 0.454 177.750 177.300 -0.008 0.000 1.144 532 P CA 0.528 63.627 63.100 -0.002 0.000 0.800 532 P CB 0.315 32.008 31.700 -0.011 0.000 0.772 533 V N 0.954 120.865 119.914 -0.005 0.000 2.334 533 V HA 0.304 4.481 4.120 0.096 0.000 0.267 533 V C 1.941 178.062 176.094 0.046 0.000 1.040 533 V CA 0.076 62.367 62.300 -0.015 0.000 0.866 533 V CB 0.221 32.020 31.823 -0.040 0.000 1.019 533 V HN 0.037 nan 8.190 nan 0.000 0.468 534 A N 4.338 127.198 122.820 0.067 0.000 1.971 534 A HA -0.270 4.107 4.320 0.096 0.000 0.222 534 A C 1.989 179.707 177.584 0.224 0.000 1.182 534 A CA 2.683 54.801 52.037 0.136 0.000 0.649 534 A CB -0.656 18.429 19.000 0.141 0.000 0.818 534 A HN 0.815 nan 8.150 nan 0.000 0.458 535 N N -0.204 118.638 118.700 0.237 0.000 2.069 535 N HA -0.128 4.670 4.740 0.096 0.000 0.191 535 N C 1.516 176.939 175.510 -0.146 0.000 1.031 535 N CA 1.676 54.860 53.050 0.223 0.000 0.852 535 N CB -0.534 38.127 38.487 0.290 0.000 1.018 535 N HN 0.255 nan 8.380 nan 0.000 0.423 536 V N 0.956 120.851 119.914 -0.032 0.000 2.380 536 V HA -0.265 3.912 4.120 0.096 0.000 0.251 536 V C 2.074 178.097 176.094 -0.118 0.000 1.063 536 V CA 1.740 63.977 62.300 -0.106 0.000 1.055 536 V CB -0.475 31.330 31.823 -0.030 0.000 0.657 536 V HN 0.318 nan 8.190 nan 0.000 0.455 537 R N -0.170 120.319 120.500 -0.019 0.000 2.119 537 R HA -0.045 4.352 4.340 0.096 0.000 0.222 537 R C 2.261 178.620 176.300 0.098 0.000 1.088 537 R CA 1.521 57.642 56.100 0.036 0.000 0.984 537 R CB -0.457 29.892 30.300 0.081 0.000 0.884 537 R HN 0.691 nan 8.270 nan 0.000 0.447 538 F N 0.950 120.956 119.950 0.092 0.000 2.451 538 F HA 0.048 4.633 4.527 0.095 0.000 0.299 538 F C 1.368 177.164 175.800 -0.006 0.000 1.101 538 F CA 0.660 58.743 58.000 0.138 0.000 1.436 538 F CB -0.340 38.798 39.000 0.230 0.000 1.074 538 F HN -0.134 nan 8.300 nan 0.000 0.553 539 N N 0.765 119.181 118.700 -0.473 0.000 2.336 539 N HA -0.081 4.717 4.740 0.096 0.000 0.177 539 N C 2.223 177.636 175.510 -0.160 0.000 1.018 539 N CA 1.244 54.041 53.050 -0.422 0.000 0.878 539 N CB -0.367 37.856 38.487 -0.440 0.000 0.997 539 N HN 0.337 nan 8.380 nan 0.000 0.433 540 V N 1.622 121.473 119.914 -0.106 0.000 2.568 540 V HA -0.195 3.983 4.120 0.096 0.000 0.253 540 V C 2.103 178.193 176.094 -0.007 0.000 1.072 540 V CA 1.993 64.267 62.300 -0.043 0.000 1.084 540 V CB -0.584 31.225 31.823 -0.023 0.000 0.676 540 V HN 0.263 nan 8.190 nan 0.000 0.469 541 A N 0.040 122.871 122.820 0.019 0.000 1.840 541 A HA -0.171 4.206 4.320 0.096 0.000 0.214 541 A C 2.154 179.750 177.584 0.020 0.000 1.198 541 A CA 1.739 53.813 52.037 0.061 0.000 0.608 541 A CB -0.595 18.497 19.000 0.153 0.000 0.839 541 A HN 0.572 nan 8.150 nan 0.000 0.443 542 K N 0.414 120.774 120.400 -0.067 0.000 2.144 542 K HA -0.172 4.205 4.320 0.096 0.000 0.209 542 K C 2.279 178.843 176.600 -0.061 0.000 1.047 542 K CA 1.774 57.976 56.287 -0.142 0.000 0.927 542 K CB -0.311 31.969 32.500 -0.366 0.000 0.716 542 K HN 0.438 nan 8.250 nan 0.000 0.454 543 S N 1.413 117.091 115.700 -0.038 0.000 2.345 543 S HA -0.041 4.486 4.470 0.096 0.000 0.220 543 S C 1.940 176.545 174.600 0.008 0.000 1.031 543 S CA 0.960 59.157 58.200 -0.004 0.000 0.996 543 S CB -0.261 62.944 63.200 0.009 0.000 0.882 543 S HN 0.186 nan 8.310 nan 0.000 0.445 544 L N 1.633 122.864 121.223 0.013 0.000 2.261 544 L HA -0.194 4.203 4.340 0.096 0.000 0.216 544 L C 2.765 179.652 176.870 0.028 0.000 1.114 544 L CA 1.234 56.088 54.840 0.022 0.000 0.777 544 L CB -0.534 41.542 42.059 0.029 0.000 0.910 544 L HN 0.447 nan 8.230 nan 0.000 0.440 545 Q N 0.718 120.535 119.800 0.029 0.000 2.049 545 Q HA -0.242 4.155 4.340 0.096 0.000 0.198 545 Q C 2.202 178.217 176.000 0.026 0.000 0.971 545 Q CA 1.436 57.261 55.803 0.037 0.000 0.833 545 Q CB 0.110 28.877 28.738 0.049 0.000 0.896 545 Q HN 0.176 nan 8.270 nan 0.000 0.434 546 K N 1.590 121.997 120.400 0.013 0.000 1.978 546 K HA -0.170 4.207 4.320 0.096 0.000 0.214 546 K C 1.707 178.316 176.600 0.015 0.000 1.049 546 K CA 1.996 58.288 56.287 0.009 0.000 0.939 546 K CB -0.754 31.745 32.500 -0.002 0.000 0.721 546 K HN 0.521 nan 8.250 nan 0.000 0.441 547 I N -1.570 119.011 120.570 0.017 0.000 3.607 547 I HA 0.229 4.456 4.170 0.096 0.000 0.303 547 I C 1.049 177.179 176.117 0.022 0.000 1.261 547 I CA 0.218 61.531 61.300 0.021 0.000 1.215 547 I CB -0.539 37.475 38.000 0.022 0.000 1.043 547 I HN 0.182 nan 8.210 nan 0.000 0.465 548 G N 2.508 111.322 108.800 0.023 0.000 2.518 548 G HA2 0.031 4.048 3.960 0.096 0.000 0.213 548 G HA3 0.031 4.048 3.960 0.096 0.000 0.213 548 G C -0.542 174.372 174.900 0.023 0.000 1.226 548 G CA 0.434 45.548 45.100 0.025 0.000 0.822 548 G HN 0.367 nan 8.290 nan 0.000 0.546 549 P HA -0.092 nan 4.420 nan 0.000 0.218 549 P C 1.789 179.102 177.300 0.021 0.000 1.146 549 P CA 0.797 63.910 63.100 0.021 0.000 0.820 549 P CB -0.025 31.688 31.700 0.021 0.000 0.778 550 I N -1.639 118.944 120.570 0.022 0.000 2.113 550 I HA -0.195 4.032 4.170 0.096 0.000 0.238 550 I C 1.599 177.730 176.117 0.023 0.000 1.070 550 I CA 0.761 62.075 61.300 0.023 0.000 1.332 550 I CB -0.780 37.236 38.000 0.026 0.000 1.044 550 I HN -0.091 nan 8.210 nan 0.000 0.402 551 L N 0.992 122.228 121.223 0.023 0.000 2.424 551 L HA -0.114 4.284 4.340 0.096 0.000 0.274 551 L C -0.290 176.592 176.870 0.020 0.000 1.284 551 L CA 0.260 55.113 54.840 0.021 0.000 0.819 551 L CB -0.235 41.836 42.059 0.020 0.000 1.081 551 L HN 0.321 nan 8.230 nan 0.000 0.577 552 D N -1.941 118.470 120.400 0.018 0.000 2.248 552 D HA 0.221 4.919 4.640 0.096 0.000 0.246 552 D C 0.196 176.505 176.300 0.015 0.000 1.027 552 D CA -0.761 53.249 54.000 0.016 0.000 0.853 552 D CB 0.791 41.600 40.800 0.015 0.000 1.243 552 D HN 0.296 nan 8.370 nan 0.000 0.462 553 N N 0.577 119.286 118.700 0.015 0.000 2.187 553 N HA -0.313 4.485 4.740 0.096 0.000 0.194 553 N C 1.448 176.966 175.510 0.014 0.000 1.002 553 N CA 1.754 54.813 53.050 0.015 0.000 0.882 553 N CB -0.126 38.369 38.487 0.014 0.000 1.003 553 N HN 0.471 nan 8.380 nan 0.000 0.443 554 S N -0.461 115.246 115.700 0.012 0.000 2.380 554 S HA -0.137 4.391 4.470 0.096 0.000 0.213 554 S C 1.875 176.482 174.600 0.011 0.000 1.037 554 S CA 1.913 60.120 58.200 0.011 0.000 1.034 554 S CB -0.886 62.320 63.200 0.010 0.000 1.022 554 S HN 0.361 nan 8.310 nan 0.000 0.418 555 T N 2.878 117.438 114.554 0.011 0.000 2.778 555 T HA -0.112 4.295 4.350 0.096 0.000 0.269 555 T C 1.670 176.377 174.700 0.011 0.000 1.050 555 T CA 1.410 63.515 62.100 0.010 0.000 1.137 555 T CB -0.565 68.308 68.868 0.010 0.000 0.860 555 T HN 0.366 nan 8.240 nan 0.000 0.468 556 L N 0.666 121.898 121.223 0.014 0.000 1.937 556 L HA -0.193 4.205 4.340 0.096 0.000 0.213 556 L C 2.693 179.573 176.870 0.016 0.000 1.077 556 L CA 1.675 56.524 54.840 0.016 0.000 0.758 556 L CB -0.364 41.706 42.059 0.018 0.000 0.888 556 L HN 0.217 nan 8.230 nan 0.000 0.433 557 Q N -1.116 118.693 119.800 0.016 0.000 2.368 557 Q HA -0.202 4.196 4.340 0.096 0.000 0.210 557 Q C 2.207 178.215 176.000 0.013 0.000 0.982 557 Q CA 1.387 57.199 55.803 0.015 0.000 0.884 557 Q CB -0.056 28.691 28.738 0.014 0.000 0.933 557 Q HN 0.503 nan 8.270 nan 0.000 0.460 558 S N 0.149 115.856 115.700 0.011 0.000 2.371 558 S HA -0.084 4.443 4.470 0.096 0.000 0.221 558 S C 1.444 176.049 174.600 0.009 0.000 1.036 558 S CA 0.928 59.134 58.200 0.009 0.000 0.965 558 S CB 0.225 63.429 63.200 0.007 0.000 0.845 558 S HN 0.357 nan 8.310 nan 0.000 0.475 559 E N -0.660 119.546 120.200 0.009 0.000 2.441 559 E HA 0.156 4.563 4.350 0.096 0.000 0.212 559 E C 1.780 178.388 176.600 0.013 0.000 0.840 559 E CA 0.168 56.574 56.400 0.009 0.000 1.143 559 E CB 0.335 30.037 29.700 0.005 0.000 1.153 559 E HN 0.239 nan 8.360 nan 0.000 0.539 560 V N 2.282 122.206 119.914 0.015 0.000 2.251 560 V HA -0.246 3.931 4.120 0.096 0.000 0.233 560 V C 2.384 178.493 176.094 0.024 0.000 1.041 560 V CA 2.035 64.347 62.300 0.020 0.000 1.000 560 V CB -0.474 31.362 31.823 0.022 0.000 0.643 560 V HN 0.139 nan 8.190 nan 0.000 0.460 561 K N 0.444 120.858 120.400 0.025 0.000 2.071 561 K HA -0.270 4.107 4.320 0.096 0.000 0.217 561 K C -0.132 176.483 176.600 0.026 0.000 1.054 561 K CA 2.616 58.919 56.287 0.027 0.000 0.937 561 K CB -1.379 31.136 32.500 0.024 0.000 0.719 561 K HN 0.387 nan 8.250 nan 0.000 0.454 562 P HA -0.186 nan 4.420 nan 0.000 0.210 562 P C 1.155 178.469 177.300 0.022 0.000 1.185 562 P CA 1.375 64.487 63.100 0.019 0.000 0.924 562 P CB 0.003 31.712 31.700 0.015 0.000 0.786 563 I N -1.121 119.462 120.570 0.021 0.000 3.688 563 I HA 0.033 4.260 4.170 0.096 0.000 0.307 563 I C 1.225 177.361 176.117 0.031 0.000 1.287 563 I CA 0.359 61.673 61.300 0.023 0.000 1.192 563 I CB -0.436 37.574 38.000 0.018 0.000 1.043 563 I HN -0.056 nan 8.210 nan 0.000 0.442 564 L N -1.058 120.186 121.223 0.035 0.000 2.694 564 L HA 0.152 4.549 4.340 0.096 0.000 0.228 564 L C 2.049 178.950 176.870 0.050 0.000 1.048 564 L CA 0.105 54.973 54.840 0.046 0.000 0.887 564 L CB -0.015 42.072 42.059 0.046 0.000 1.265 564 L HN 0.100 nan 8.230 nan 0.000 0.492 565 E N 0.840 121.065 120.200 0.041 0.000 2.017 565 E HA -0.312 4.095 4.350 0.096 0.000 0.193 565 E C 1.716 178.340 176.600 0.040 0.000 0.997 565 E CA 1.281 57.704 56.400 0.039 0.000 0.804 565 E CB -0.310 29.409 29.700 0.030 0.000 0.757 565 E HN 0.338 nan 8.360 nan 0.000 0.448 566 K N 0.941 121.362 120.400 0.035 0.000 2.293 566 K HA -0.162 4.215 4.320 0.096 0.000 0.204 566 K C 2.164 178.790 176.600 0.043 0.000 1.045 566 K CA 0.769 57.076 56.287 0.034 0.000 0.933 566 K CB -0.130 32.387 32.500 0.029 0.000 0.736 566 K HN 0.067 nan 8.250 nan 0.000 0.463 567 L N 0.164 121.418 121.223 0.053 0.000 2.109 567 L HA -0.114 4.283 4.340 0.096 0.000 0.207 567 L C 2.397 179.311 176.870 0.075 0.000 1.086 567 L CA 1.524 56.405 54.840 0.069 0.000 0.760 567 L CB -0.786 41.322 42.059 0.082 0.000 0.910 567 L HN 0.351 nan 8.230 nan 0.000 0.437 568 T N -3.138 111.457 114.554 0.068 0.000 3.052 568 T HA -0.218 4.190 4.350 0.096 0.000 0.270 568 T C 1.284 176.013 174.700 0.049 0.000 1.147 568 T CA 0.922 63.059 62.100 0.063 0.000 1.089 568 T CB -0.244 68.655 68.868 0.051 0.000 0.875 568 T HN 0.418 nan 8.240 nan 0.000 0.541 569 Q N 0.763 120.591 119.800 0.046 0.000 2.206 569 Q HA 0.277 4.674 4.340 0.096 0.000 0.265 569 Q C -0.654 175.370 176.000 0.040 0.000 0.866 569 Q CA -0.440 55.385 55.803 0.036 0.000 1.073 569 Q CB 0.437 29.193 28.738 0.029 0.000 1.165 569 Q HN 0.429 nan 8.270 nan 0.000 0.465 570 D N 0.078 120.509 120.400 0.052 0.000 2.332 570 D HA 0.023 4.720 4.640 0.096 0.000 0.252 570 D C 0.711 177.041 176.300 0.050 0.000 1.050 570 D CA -0.200 53.834 54.000 0.056 0.000 0.970 570 D CB 1.314 42.161 40.800 0.077 0.000 1.141 570 D HN -0.110 nan 8.370 nan 0.000 0.485 571 Q N 0.845 120.672 119.800 0.046 0.000 1.813 571 Q HA -0.105 4.292 4.340 0.096 0.000 0.261 571 Q C -0.314 175.713 176.000 0.044 0.000 0.975 571 Q CA 0.964 56.789 55.803 0.037 0.000 0.881 571 Q CB -0.653 28.104 28.738 0.031 0.000 0.924 571 Q HN 0.651 nan 8.270 nan 0.000 0.425 572 D N 0.937 121.369 120.400 0.053 0.000 3.061 572 D HA -0.111 4.586 4.640 0.096 0.000 0.226 572 D C 1.353 177.689 176.300 0.060 0.000 1.168 572 D CA 0.055 54.089 54.000 0.057 0.000 0.822 572 D CB 0.688 41.539 40.800 0.085 0.000 1.152 572 D HN 0.084 nan 8.370 nan 0.000 0.555 573 V N 4.649 124.584 119.914 0.035 0.000 2.317 573 V HA -0.293 3.884 4.120 0.096 0.000 0.251 573 V C 2.149 178.277 176.094 0.057 0.000 1.065 573 V CA 1.900 64.219 62.300 0.030 0.000 1.049 573 V CB -0.339 31.485 31.823 0.002 0.000 0.651 573 V HN 0.611 nan 8.190 nan 0.000 0.450 574 D N 0.088 120.503 120.400 0.025 0.000 2.116 574 D HA -0.168 4.530 4.640 0.096 0.000 0.193 574 D C 2.216 178.584 176.300 0.113 0.000 0.998 574 D CA 1.824 55.795 54.000 -0.048 0.000 0.836 574 D CB -0.283 40.368 40.800 -0.248 0.000 0.951 574 D HN 0.369 nan 8.370 nan 0.000 0.449 575 V N 1.370 121.404 119.914 0.201 0.000 2.231 575 V HA -0.298 3.879 4.120 0.096 0.000 0.248 575 V C 2.547 178.786 176.094 0.242 0.000 1.054 575 V CA 2.007 64.481 62.300 0.289 0.000 1.015 575 V CB -0.533 31.418 31.823 0.212 0.000 0.638 575 V HN 0.190 nan 8.190 nan 0.000 0.444 576 K N -1.060 119.434 120.400 0.157 0.000 1.978 576 K HA -0.278 4.100 4.320 0.096 0.000 0.214 576 K C 2.296 178.987 176.600 0.152 0.000 1.049 576 K CA 2.199 58.560 56.287 0.124 0.000 0.939 576 K CB -0.530 32.010 32.500 0.066 0.000 0.721 576 K HN 0.412 nan 8.250 nan 0.000 0.441 577 Y N 0.500 120.750 120.300 -0.083 0.000 2.108 577 Y HA -0.327 4.280 4.550 0.095 0.000 0.274 577 Y C 1.793 177.561 175.900 -0.220 0.000 1.229 577 Y CA 2.016 59.980 58.100 -0.228 0.000 1.129 577 Y CB -0.717 37.481 38.460 -0.436 0.000 0.946 577 Y HN 0.121 nan 8.280 nan 0.000 0.509 578 F N -1.305 118.785 119.950 0.234 0.000 2.188 578 F HA 0.141 4.725 4.527 0.095 0.000 0.289 578 F C 2.638 178.519 175.800 0.135 0.000 1.082 578 F CA 0.964 59.050 58.000 0.144 0.000 1.282 578 F CB -1.495 37.580 39.000 0.124 0.000 1.060 578 F HN 0.030 nan 8.300 nan 0.000 0.493 579 A N -0.041 122.981 122.820 0.336 0.000 1.906 579 A HA -0.405 3.973 4.320 0.096 0.000 0.222 579 A C 2.167 179.848 177.584 0.163 0.000 1.282 579 A CA 2.768 54.932 52.037 0.211 0.000 0.675 579 A CB -1.317 17.782 19.000 0.165 0.000 0.838 579 A HN 0.509 nan 8.150 nan 0.000 0.469 580 Q N -1.534 118.353 119.800 0.145 0.000 2.187 580 Q HA -0.143 4.255 4.340 0.096 0.000 0.199 580 Q C 1.964 178.034 176.000 0.116 0.000 0.957 580 Q CA 1.319 57.185 55.803 0.106 0.000 0.857 580 Q CB -0.073 28.710 28.738 0.075 0.000 0.929 580 Q HN 0.699 nan 8.270 nan 0.000 0.453 581 E N 0.360 120.656 120.200 0.161 0.000 2.171 581 E HA -0.233 4.174 4.350 0.096 0.000 0.197 581 E C 1.502 178.188 176.600 0.143 0.000 0.997 581 E CA 1.499 57.999 56.400 0.167 0.000 0.810 581 E CB -0.236 29.613 29.700 0.250 0.000 0.738 581 E HN 0.478 nan 8.360 nan 0.000 0.467 582 A N 0.465 123.374 122.820 0.148 0.000 1.835 582 A HA -0.163 4.214 4.320 0.096 0.000 0.215 582 A C 2.232 179.865 177.584 0.082 0.000 1.199 582 A CA 1.686 53.789 52.037 0.110 0.000 0.615 582 A CB -1.013 18.049 19.000 0.104 0.000 0.838 582 A HN 0.334 nan 8.150 nan 0.000 0.444 583 L N -0.104 121.165 121.223 0.077 0.000 2.270 583 L HA -0.181 4.217 4.340 0.096 0.000 0.217 583 L C 2.138 179.040 176.870 0.053 0.000 1.107 583 L CA 1.519 56.394 54.840 0.059 0.000 0.772 583 L CB -0.943 41.149 42.059 0.055 0.000 0.902 583 L HN 0.351 nan 8.230 nan 0.000 0.439 584 T N -1.604 112.987 114.554 0.061 0.000 3.113 584 T HA 0.039 4.446 4.350 0.096 0.000 0.256 584 T C 1.712 176.441 174.700 0.049 0.000 1.131 584 T CA 0.473 62.604 62.100 0.052 0.000 1.074 584 T CB 0.313 69.216 68.868 0.057 0.000 0.944 584 T HN 0.141 nan 8.240 nan 0.000 0.516 585 V N 0.333 120.278 119.914 0.052 0.000 3.151 585 V HA 0.224 4.402 4.120 0.096 0.000 0.241 585 V C 1.940 178.057 176.094 0.038 0.000 1.173 585 V CA 0.397 62.725 62.300 0.046 0.000 1.154 585 V CB -0.143 31.711 31.823 0.051 0.000 0.898 585 V HN 0.375 nan 8.190 nan 0.000 0.473 586 L N 0.204 121.451 121.223 0.039 0.000 2.552 586 L HA 0.189 4.587 4.340 0.096 0.000 0.227 586 L C 0.645 177.532 176.870 0.029 0.000 1.146 586 L CA 0.405 55.265 54.840 0.033 0.000 0.858 586 L CB -0.387 41.694 42.059 0.035 0.000 0.969 586 L HN 0.368 nan 8.230 nan 0.000 0.451 587 S N 0.682 116.399 115.700 0.030 0.000 4.012 587 S HA -0.044 4.483 4.470 0.096 0.000 0.494 587 S C -0.286 174.329 174.600 0.025 0.000 0.810 587 S CA 0.164 58.379 58.200 0.025 0.000 1.309 587 S CB -1.545 61.668 63.200 0.022 0.000 0.822 587 S HN 0.300 nan 8.310 nan 0.000 0.644 588 L N 0.000 121.239 121.223 0.027 0.000 2.949 588 L HA 0.000 4.397 4.340 0.096 0.000 0.249 588 L CA 0.000 54.856 54.840 0.026 0.000 0.813 588 L CB 0.000 42.077 42.059 0.030 0.000 0.961 588 L HN 0.000 nan 8.230 nan 0.000 0.502