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_B 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 0.000 176.946 176.870 0.127 0.000 1.165 10 L CA 0.000 54.868 54.840 0.047 0.000 0.813 10 L CB 0.000 42.075 42.059 0.027 0.000 0.961 11 Y N 1.131 121.397 120.300 -0.057 0.000 3.341 11 Y HA 0.289 4.840 4.550 0.001 0.000 0.179 11 Y C -2.003 173.857 175.900 -0.066 0.000 0.929 11 Y CA 0.422 58.491 58.100 -0.053 0.000 1.758 11 Y CB -0.288 38.144 38.460 -0.046 0.000 1.446 11 Y HN 0.080 nan 8.280 nan 0.000 0.337 12 P HA 0.172 nan 4.420 nan 0.000 0.259 12 P C 0.770 177.923 177.300 -0.245 0.000 1.530 12 P CA 0.535 63.460 63.100 -0.292 0.000 1.022 12 P CB 0.488 32.061 31.700 -0.212 0.000 1.514 13 I N 0.396 120.831 120.570 -0.225 0.000 2.716 13 I HA 0.091 4.261 4.170 0.001 0.000 0.259 13 I C 1.742 177.691 176.117 -0.280 0.000 1.172 13 I CA 0.783 61.886 61.300 -0.328 0.000 1.478 13 I CB -0.221 37.639 38.000 -0.233 0.000 1.104 13 I HN -0.046 nan 8.210 nan 0.000 0.439 14 A N -1.416 121.297 122.820 -0.178 0.000 2.470 14 A HA 0.390 4.711 4.320 0.001 0.000 0.251 14 A C 1.642 179.152 177.584 -0.124 0.000 1.245 14 A CA 0.275 52.241 52.037 -0.118 0.000 0.932 14 A CB -0.108 18.848 19.000 -0.073 0.000 1.037 14 A HN 0.183 nan 8.150 nan 0.000 0.522 15 V N -1.021 118.788 119.914 -0.175 0.000 2.806 15 V HA 0.007 4.128 4.120 0.001 0.000 0.239 15 V C 2.115 178.124 176.094 -0.141 0.000 1.113 15 V CA 1.119 63.313 62.300 -0.177 0.000 1.137 15 V CB -0.137 31.516 31.823 -0.283 0.000 0.865 15 V HN 0.511 nan 8.190 nan 0.000 0.482 16 L N 0.492 121.616 121.223 -0.165 0.000 2.093 16 L HA -0.012 4.329 4.340 0.001 0.000 0.208 16 L C 2.133 178.967 176.870 -0.059 0.000 1.085 16 L CA 1.820 56.592 54.840 -0.114 0.000 0.755 16 L CB -0.563 41.412 42.059 -0.140 0.000 0.904 16 L HN 0.225 nan 8.230 nan 0.000 0.435 17 I N 0.031 120.553 120.570 -0.080 0.000 2.248 17 I HA -0.337 3.834 4.170 0.001 0.000 0.248 17 I C 1.775 177.917 176.117 0.041 0.000 1.107 17 I CA 1.591 62.917 61.300 0.043 0.000 1.373 17 I CB -0.501 37.527 38.000 0.047 0.000 1.055 17 I HN 0.380 nan 8.210 nan 0.000 0.418 18 D N 0.369 120.767 120.400 -0.003 0.000 2.234 18 D HA -0.112 4.528 4.640 0.001 0.000 0.205 18 D C 1.901 178.202 176.300 0.001 0.000 0.962 18 D CA 0.914 54.914 54.000 0.000 0.000 0.855 18 D CB -0.065 40.723 40.800 -0.020 0.000 0.951 18 D HN 0.484 nan 8.370 nan 0.000 0.500 19 E N 0.031 120.226 120.200 -0.009 0.000 2.358 19 E HA 0.027 4.378 4.350 0.001 0.000 0.195 19 E C 1.987 178.593 176.600 0.010 0.000 1.010 19 E CA 0.231 56.627 56.400 -0.007 0.000 0.856 19 E CB 0.403 30.091 29.700 -0.021 0.000 0.795 19 E HN 0.265 nan 8.360 nan 0.000 0.504 20 L N 0.363 121.604 121.223 0.030 0.000 2.276 20 L HA 0.052 4.393 4.340 0.001 0.000 0.194 20 L C 2.513 179.409 176.870 0.044 0.000 1.099 20 L CA 0.445 55.310 54.840 0.042 0.000 0.800 20 L CB -0.364 41.751 42.059 0.095 0.000 0.994 20 L HN 0.020 nan 8.230 nan 0.000 0.475 21 R N 0.691 121.233 120.500 0.069 0.000 2.316 21 R HA -0.146 4.194 4.340 0.001 0.000 0.232 21 R C 0.866 177.199 176.300 0.056 0.000 1.137 21 R CA 0.375 56.523 56.100 0.079 0.000 1.012 21 R CB -0.991 29.358 30.300 0.081 0.000 0.859 21 R HN 0.288 nan 8.270 nan 0.000 0.474 22 N N 1.881 120.603 118.700 0.037 0.000 1.722 22 N HA -0.178 4.563 4.740 0.001 0.000 0.342 22 N C 0.034 175.562 175.510 0.029 0.000 1.252 22 N CA 0.789 53.854 53.050 0.025 0.000 0.780 22 N CB 0.632 39.129 38.487 0.015 0.000 0.999 22 N HN 0.337 nan 8.380 nan 0.000 0.513 23 E N 2.135 122.349 120.200 0.024 0.000 2.048 23 E HA -0.182 4.169 4.350 0.001 0.000 0.202 23 E C 0.044 176.659 176.600 0.024 0.000 1.021 23 E CA 1.528 57.943 56.400 0.025 0.000 0.825 23 E CB -0.185 29.525 29.700 0.018 0.000 0.756 23 E HN 0.703 nan 8.360 nan 0.000 0.454 24 D N -1.755 118.656 120.400 0.018 0.000 2.283 24 D HA 0.102 4.743 4.640 0.001 0.000 0.248 24 D C 0.736 177.045 176.300 0.015 0.000 1.072 24 D CA -0.167 53.843 54.000 0.016 0.000 0.929 24 D CB 1.521 42.328 40.800 0.011 0.000 1.182 24 D HN -0.190 nan 8.370 nan 0.000 0.433 25 V N 1.913 121.835 119.914 0.014 0.000 2.500 25 V HA -0.095 4.026 4.120 0.001 0.000 0.243 25 V C 2.062 178.157 176.094 0.002 0.000 1.039 25 V CA 0.726 63.031 62.300 0.008 0.000 1.053 25 V CB -0.670 31.160 31.823 0.011 0.000 0.695 25 V HN 0.559 nan 8.190 nan 0.000 0.463 26 Q N 0.293 120.095 119.800 0.004 0.000 2.389 26 Q HA -0.200 4.141 4.340 0.001 0.000 0.213 26 Q C 1.597 177.598 176.000 0.002 0.000 0.989 26 Q CA 1.758 57.563 55.803 0.003 0.000 0.891 26 Q CB -0.402 28.339 28.738 0.005 0.000 0.923 26 Q HN 0.560 nan 8.270 nan 0.000 0.455 27 L N -1.202 120.022 121.223 0.002 0.000 2.408 27 L HA 0.154 4.494 4.340 0.001 0.000 0.215 27 L C 1.965 178.834 176.870 -0.001 0.000 1.081 27 L CA 0.749 55.590 54.840 0.001 0.000 0.840 27 L CB -0.193 41.867 42.059 0.002 0.000 1.002 27 L HN 0.035 nan 8.230 nan 0.000 0.468 28 R N -0.383 120.114 120.500 -0.004 0.000 2.193 28 R HA -0.103 4.238 4.340 0.001 0.000 0.229 28 R C 2.149 178.442 176.300 -0.011 0.000 1.110 28 R CA 0.987 57.082 56.100 -0.009 0.000 0.988 28 R CB -0.351 29.936 30.300 -0.022 0.000 0.871 28 R HN 0.333 nan 8.270 nan 0.000 0.458 29 L N 0.988 122.205 121.223 -0.009 0.000 2.023 29 L HA -0.109 4.231 4.340 0.001 0.000 0.205 29 L C 1.556 178.424 176.870 -0.003 0.000 1.073 29 L CA 1.385 56.220 54.840 -0.008 0.000 0.745 29 L CB -0.233 41.823 42.059 -0.006 0.000 0.900 29 L HN 0.151 nan 8.230 nan 0.000 0.435 30 N N -0.572 118.127 118.700 -0.000 0.000 2.635 30 N HA -0.156 4.585 4.740 0.001 0.000 0.191 30 N C 1.647 177.159 175.510 0.004 0.000 1.155 30 N CA 1.147 54.199 53.050 0.003 0.000 0.927 30 N CB 0.144 38.633 38.487 0.003 0.000 0.976 30 N HN 0.404 nan 8.380 nan 0.000 0.448 31 S N 0.103 115.805 115.700 0.003 0.000 2.444 31 S HA 0.135 4.606 4.470 0.001 0.000 0.223 31 S C 1.762 176.369 174.600 0.012 0.000 1.054 31 S CA -0.138 58.066 58.200 0.005 0.000 0.947 31 S CB 0.233 63.436 63.200 0.004 0.000 0.850 31 S HN -0.002 nan 8.310 nan 0.000 0.527 32 I N 2.266 122.840 120.570 0.006 0.000 2.353 32 I HA 0.032 4.203 4.170 0.001 0.000 0.248 32 I C 2.258 178.379 176.117 0.008 0.000 1.119 32 I CA 1.026 62.329 61.300 0.005 0.000 1.417 32 I CB -1.123 36.869 38.000 -0.014 0.000 1.078 32 I HN 0.284 nan 8.210 nan 0.000 0.421 33 K N 1.048 121.451 120.400 0.005 0.000 2.286 33 K HA -0.193 4.128 4.320 0.001 0.000 0.203 33 K C 1.698 178.312 176.600 0.023 0.000 1.045 33 K CA 1.054 57.347 56.287 0.010 0.000 0.935 33 K CB -0.156 32.348 32.500 0.008 0.000 0.737 33 K HN 0.331 nan 8.250 nan 0.000 0.460 34 K N 0.630 121.047 120.400 0.029 0.000 2.438 34 K HA 0.065 4.386 4.320 0.001 0.000 0.205 34 K C 0.790 177.427 176.600 0.062 0.000 1.033 34 K CA -0.083 56.228 56.287 0.041 0.000 1.089 34 K CB 0.278 32.795 32.500 0.029 0.000 0.857 34 K HN -0.121 nan 8.250 nan 0.000 0.522 35 L N 1.429 122.694 121.223 0.070 0.000 2.955 35 L HA -0.022 4.319 4.340 0.001 0.000 0.260 35 L C 1.218 178.216 176.870 0.214 0.000 1.146 35 L CA 0.905 55.812 54.840 0.111 0.000 0.905 35 L CB -0.608 41.499 42.059 0.080 0.000 1.136 35 L HN 0.178 nan 8.230 nan 0.000 0.438 36 S N -2.702 113.103 115.700 0.174 0.000 2.527 36 S HA -0.054 4.417 4.470 0.001 0.000 0.227 36 S C 1.854 176.501 174.600 0.079 0.000 1.059 36 S CA 0.579 58.897 58.200 0.197 0.000 0.919 36 S CB -0.288 63.009 63.200 0.161 0.000 0.805 36 S HN 0.633 nan 8.310 nan 0.000 0.500 37 T N 0.475 115.065 114.554 0.061 0.000 2.942 37 T HA 0.104 4.455 4.350 0.001 0.000 0.265 37 T C 1.642 176.362 174.700 0.033 0.000 1.062 37 T CA 0.919 63.038 62.100 0.032 0.000 1.139 37 T CB -0.653 68.234 68.868 0.031 0.000 0.883 37 T HN 0.288 nan 8.240 nan 0.000 0.468 38 I N 2.740 123.341 120.570 0.050 0.000 2.335 38 I HA 0.003 4.173 4.170 0.001 0.000 0.251 38 I C 2.958 179.094 176.117 0.031 0.000 1.129 38 I CA 0.928 62.258 61.300 0.050 0.000 1.402 38 I CB -0.968 37.062 38.000 0.050 0.000 1.069 38 I HN 0.361 nan 8.210 nan 0.000 0.424 39 A N 0.296 123.124 122.820 0.014 0.000 1.898 39 A HA -0.105 4.216 4.320 0.001 0.000 0.216 39 A C 2.244 179.770 177.584 -0.096 0.000 1.181 39 A CA 1.117 53.107 52.037 -0.079 0.000 0.620 39 A CB -0.710 18.147 19.000 -0.238 0.000 0.819 39 A HN 0.296 nan 8.150 nan 0.000 0.442 40 L N -0.532 120.649 121.223 -0.070 0.000 2.042 40 L HA -0.230 4.110 4.340 0.001 0.000 0.210 40 L C 3.017 179.857 176.870 -0.049 0.000 1.076 40 L CA 2.038 56.838 54.840 -0.065 0.000 0.749 40 L CB -1.700 40.335 42.059 -0.040 0.000 0.893 40 L HN 0.486 nan 8.230 nan 0.000 0.432 41 A N 0.170 122.980 122.820 -0.017 0.000 1.836 41 A HA -0.152 4.169 4.320 0.001 0.000 0.215 41 A C 1.260 178.826 177.584 -0.029 0.000 1.214 41 A CA 0.699 52.734 52.037 -0.003 0.000 0.636 41 A CB -0.903 18.145 19.000 0.079 0.000 0.847 41 A HN 0.214 nan 8.150 nan 0.000 0.451 42 L N -0.456 120.763 121.223 -0.007 0.000 2.503 42 L HA 0.175 4.516 4.340 0.001 0.000 0.287 42 L C 1.264 178.095 176.870 -0.065 0.000 1.252 42 L CA 1.018 55.842 54.840 -0.027 0.000 0.835 42 L CB -1.288 40.762 42.059 -0.015 0.000 1.099 42 L HN 0.460 nan 8.230 nan 0.000 0.516 43 G N 0.141 108.898 108.800 -0.072 0.000 2.504 43 G HA2 0.393 4.354 3.960 0.001 0.000 0.288 43 G HA3 0.393 4.354 3.960 0.001 0.000 0.288 43 G C 1.162 175.992 174.900 -0.117 0.000 1.182 43 G CA -0.019 45.026 45.100 -0.092 0.000 0.894 43 G HN 0.649 nan 8.290 nan 0.000 0.521 44 V N -0.891 118.936 119.914 -0.146 0.000 2.546 44 V HA -0.167 3.954 4.120 0.001 0.000 0.254 44 V C 2.144 178.121 176.094 -0.195 0.000 1.076 44 V CA 2.606 64.790 62.300 -0.195 0.000 1.087 44 V CB -0.557 31.129 31.823 -0.228 0.000 0.674 44 V HN 0.659 nan 8.190 nan 0.000 0.470 45 E N 0.479 120.588 120.200 -0.152 0.000 2.107 45 E HA -0.061 4.289 4.350 0.001 0.000 0.191 45 E C 2.402 178.959 176.600 -0.072 0.000 0.982 45 E CA 1.236 57.566 56.400 -0.117 0.000 0.809 45 E CB -0.159 29.490 29.700 -0.085 0.000 0.756 45 E HN 0.613 nan 8.360 nan 0.000 0.459 46 R N -0.770 119.692 120.500 -0.065 0.000 2.100 46 R HA 0.034 4.375 4.340 0.001 0.000 0.220 46 R C 2.251 178.534 176.300 -0.028 0.000 1.091 46 R CA 1.367 57.446 56.100 -0.035 0.000 0.986 46 R CB -0.368 29.914 30.300 -0.030 0.000 0.888 46 R HN 0.190 nan 8.270 nan 0.000 0.444 47 T N 2.176 116.697 114.554 -0.055 0.000 2.592 47 T HA -0.251 4.100 4.350 0.001 0.000 0.267 47 T C 1.756 176.459 174.700 0.005 0.000 1.060 47 T CA 2.147 64.221 62.100 -0.044 0.000 1.167 47 T CB -0.331 68.458 68.868 -0.131 0.000 0.863 47 T HN 0.466 nan 8.240 nan 0.000 0.431 48 R N 1.663 122.152 120.500 -0.018 0.000 2.276 48 R HA 0.116 4.457 4.340 0.001 0.000 0.203 48 R C 2.452 178.777 176.300 0.041 0.000 1.017 48 R CA 1.175 57.289 56.100 0.023 0.000 1.010 48 R CB -0.457 29.847 30.300 0.007 0.000 0.900 48 R HN 0.521 nan 8.270 nan 0.000 0.469 49 S N 0.904 116.619 115.700 0.025 0.000 2.325 49 S HA -0.148 4.323 4.470 0.001 0.000 0.213 49 S C 1.666 176.296 174.600 0.050 0.000 1.031 49 S CA 1.103 59.324 58.200 0.033 0.000 0.984 49 S CB -0.104 63.106 63.200 0.016 0.000 0.939 49 S HN 0.501 nan 8.310 nan 0.000 0.438 50 E N -0.794 119.435 120.200 0.049 0.000 2.641 50 E HA 0.242 4.593 4.350 0.001 0.000 0.224 50 E C 1.375 178.033 176.600 0.096 0.000 0.951 50 E CA -0.099 56.343 56.400 0.070 0.000 1.102 50 E CB 0.323 30.048 29.700 0.042 0.000 1.091 50 E HN 0.422 nan 8.360 nan 0.000 0.507 51 L N 0.674 121.950 121.223 0.087 0.000 2.049 51 L HA 0.002 4.343 4.340 0.001 0.000 0.203 51 L C 1.822 178.815 176.870 0.206 0.000 1.074 51 L CA 1.595 56.508 54.840 0.121 0.000 0.749 51 L CB -0.341 41.779 42.059 0.102 0.000 0.907 51 L HN 0.133 nan 8.230 nan 0.000 0.439 52 L N -0.251 121.073 121.223 0.168 0.000 2.005 52 L HA -0.080 4.261 4.340 0.001 0.000 0.207 52 L C -0.154 176.797 176.870 0.135 0.000 1.072 52 L CA 1.085 56.018 54.840 0.154 0.000 0.744 52 L CB -1.951 40.187 42.059 0.132 0.000 0.895 52 L HN 0.194 nan 8.230 nan 0.000 0.433 53 P HA -0.213 nan 4.420 nan 0.000 0.222 53 P C 1.207 178.584 177.300 0.130 0.000 1.142 53 P CA 1.384 64.546 63.100 0.105 0.000 0.788 53 P CB -0.006 31.754 31.700 0.100 0.000 0.767 54 F N 0.065 120.031 119.950 0.026 0.000 2.104 54 F HA -0.011 4.516 4.527 0.001 0.000 0.288 54 F C 1.866 177.673 175.800 0.012 0.000 1.107 54 F CA 1.153 59.165 58.000 0.020 0.000 1.208 54 F CB -0.898 38.114 39.000 0.021 0.000 1.033 54 F HN -0.326 nan 8.300 nan 0.000 0.478 55 L N -0.140 121.135 121.223 0.088 0.000 2.349 55 L HA -0.207 4.134 4.340 0.001 0.000 0.220 55 L C 2.004 178.818 176.870 -0.093 0.000 1.130 55 L CA 1.244 56.061 54.840 -0.038 0.000 0.791 55 L CB -1.275 40.820 42.059 0.059 0.000 0.918 55 L HN 0.277 nan 8.230 nan 0.000 0.444 56 T N -0.134 114.384 114.554 -0.060 0.000 2.739 56 T HA -0.110 4.241 4.350 0.001 0.000 0.249 56 T C 1.178 175.829 174.700 -0.080 0.000 1.050 56 T CA 1.492 63.561 62.100 -0.053 0.000 1.165 56 T CB -0.221 68.639 68.868 -0.013 0.000 0.872 56 T HN 0.562 nan 8.240 nan 0.000 0.411 57 D N 1.028 121.376 120.400 -0.088 0.000 2.336 57 D HA 0.075 4.716 4.640 0.001 0.000 0.229 57 D C 0.882 177.112 176.300 -0.117 0.000 1.061 57 D CA 0.296 54.248 54.000 -0.080 0.000 0.875 57 D CB -0.101 40.669 40.800 -0.050 0.000 0.904 57 D HN 0.259 nan 8.370 nan 0.000 0.525 58 T N -0.360 114.068 114.554 -0.210 0.000 2.628 58 T HA 0.321 4.672 4.350 0.001 0.000 0.223 58 T C 0.210 174.805 174.700 -0.174 0.000 0.959 58 T CA -0.959 60.988 62.100 -0.256 0.000 1.113 58 T CB 0.285 68.746 68.868 -0.678 0.000 2.140 58 T HN 0.035 nan 8.240 nan 0.000 0.516 59 I N 2.434 122.829 120.570 -0.290 0.000 2.999 59 I HA -0.265 3.906 4.170 0.001 0.000 0.126 59 I C 0.132 176.118 176.117 -0.218 0.000 0.912 59 I CA 0.599 61.695 61.300 -0.339 0.000 2.775 59 I CB -0.378 37.482 38.000 -0.233 0.000 0.783 59 I HN 0.825 nan 8.210 nan 0.000 0.349 60 Y N 2.538 122.803 120.300 -0.058 0.000 2.448 60 Y HA 0.322 4.873 4.550 0.001 0.000 0.257 60 Y C 0.858 176.745 175.900 -0.021 0.000 1.089 60 Y CA -0.935 57.144 58.100 -0.036 0.000 1.245 60 Y CB -0.440 37.999 38.460 -0.034 0.000 1.282 60 Y HN 0.425 nan 8.280 nan 0.000 0.529 61 D N 2.738 122.883 120.400 -0.426 0.000 2.123 61 D HA -0.162 4.479 4.640 0.001 0.000 0.230 61 D C 0.087 176.376 176.300 -0.018 0.000 1.406 61 D CA 0.945 54.828 54.000 -0.195 0.000 0.896 61 D CB 0.651 41.295 40.800 -0.261 0.000 1.365 61 D HN 0.456 nan 8.370 nan 0.000 0.543 62 E N 0.421 120.616 120.200 -0.008 0.000 2.415 62 E HA -0.062 4.288 4.350 0.001 0.000 0.262 62 E C 0.712 177.310 176.600 -0.003 0.000 1.038 62 E CA -0.163 56.244 56.400 0.010 0.000 0.921 62 E CB 0.462 30.167 29.700 0.009 0.000 0.950 62 E HN 0.278 nan 8.360 nan 0.000 0.438 63 D N 2.051 122.455 120.400 0.007 0.000 2.280 63 D HA -0.223 4.417 4.640 0.001 0.000 0.206 63 D C 1.539 177.836 176.300 -0.004 0.000 0.988 63 D CA 1.298 55.300 54.000 0.003 0.000 0.886 63 D CB 0.113 40.918 40.800 0.009 0.000 0.914 63 D HN 0.587 nan 8.370 nan 0.000 0.473 64 E N 0.547 120.744 120.200 -0.005 0.000 2.107 64 E HA -0.115 4.236 4.350 0.001 0.000 0.191 64 E C 2.152 178.741 176.600 -0.017 0.000 0.982 64 E CA 0.479 56.874 56.400 -0.007 0.000 0.809 64 E CB 0.278 29.975 29.700 -0.004 0.000 0.756 64 E HN -0.005 nan 8.360 nan 0.000 0.459 65 V N 1.507 121.404 119.914 -0.028 0.000 2.261 65 V HA -0.283 3.837 4.120 0.001 0.000 0.246 65 V C 2.502 178.567 176.094 -0.048 0.000 1.047 65 V CA 1.647 63.920 62.300 -0.043 0.000 1.015 65 V CB -0.617 31.164 31.823 -0.070 0.000 0.642 65 V HN 0.311 nan 8.190 nan 0.000 0.446 66 L N -0.570 120.625 121.223 -0.047 0.000 1.978 66 L HA -0.259 4.081 4.340 0.001 0.000 0.218 66 L C 2.528 179.377 176.870 -0.036 0.000 1.075 66 L CA 1.703 56.516 54.840 -0.045 0.000 0.767 66 L CB -0.976 41.065 42.059 -0.029 0.000 0.890 66 L HN 0.332 nan 8.230 nan 0.000 0.434 67 L N 0.140 121.349 121.223 -0.023 0.000 2.103 67 L HA -0.275 4.066 4.340 0.001 0.000 0.215 67 L C 2.494 179.351 176.870 -0.023 0.000 1.080 67 L CA 2.168 56.998 54.840 -0.016 0.000 0.764 67 L CB -0.779 41.276 42.059 -0.007 0.000 0.890 67 L HN 0.248 nan 8.230 nan 0.000 0.435 68 A N -1.104 121.699 122.820 -0.028 0.000 1.854 68 A HA -0.112 4.208 4.320 0.001 0.000 0.214 68 A C 2.156 179.709 177.584 -0.052 0.000 1.192 68 A CA 1.427 53.445 52.037 -0.032 0.000 0.611 68 A CB -0.989 17.995 19.000 -0.027 0.000 0.832 68 A HN 0.444 nan 8.150 nan 0.000 0.442 69 L N 0.302 121.487 121.223 -0.063 0.000 1.956 69 L HA -0.184 4.157 4.340 0.001 0.000 0.216 69 L C 2.664 179.469 176.870 -0.108 0.000 1.073 69 L CA 2.669 57.453 54.840 -0.093 0.000 0.762 69 L CB -1.269 40.739 42.059 -0.085 0.000 0.889 69 L HN 0.388 nan 8.230 nan 0.000 0.433 70 A N -0.823 121.951 122.820 -0.075 0.000 1.903 70 A HA -0.349 3.972 4.320 0.001 0.000 0.219 70 A C 2.343 179.892 177.584 -0.059 0.000 1.191 70 A CA 2.294 54.294 52.037 -0.062 0.000 0.638 70 A CB -0.957 18.023 19.000 -0.033 0.000 0.823 70 A HN 0.726 nan 8.150 nan 0.000 0.451 71 E N -1.129 119.043 120.200 -0.047 0.000 2.031 71 E HA -0.300 4.051 4.350 0.001 0.000 0.193 71 E C 2.220 178.787 176.600 -0.055 0.000 0.994 71 E CA 1.537 57.917 56.400 -0.032 0.000 0.800 71 E CB -0.212 29.476 29.700 -0.018 0.000 0.752 71 E HN 0.567 nan 8.360 nan 0.000 0.447 72 Q N 0.982 120.729 119.800 -0.089 0.000 2.045 72 Q HA -0.137 4.203 4.340 0.001 0.000 0.206 72 Q C 2.225 178.067 176.000 -0.264 0.000 0.991 72 Q CA 1.670 57.393 55.803 -0.132 0.000 0.851 72 Q CB -0.586 28.065 28.738 -0.145 0.000 0.911 72 Q HN 0.431 nan 8.270 nan 0.000 0.418 73 L N -0.058 120.952 121.223 -0.355 0.000 2.556 73 L HA -0.184 4.157 4.340 0.001 0.000 0.230 73 L C 1.868 178.635 176.870 -0.172 0.000 1.163 73 L CA 0.750 55.325 54.840 -0.442 0.000 0.819 73 L CB -0.656 41.236 42.059 -0.277 0.000 0.939 73 L HN 0.432 nan 8.230 nan 0.000 0.452 74 G N -0.645 108.111 108.800 -0.073 0.000 2.464 74 G HA2 -0.176 3.785 3.960 0.001 0.000 0.214 74 G HA3 -0.176 3.785 3.960 0.001 0.000 0.214 74 G C 0.711 175.662 174.900 0.085 0.000 1.218 74 G CA 0.690 45.805 45.100 0.025 0.000 0.794 74 G HN 0.414 nan 8.290 nan 0.000 0.542 75 T N -2.726 111.889 114.554 0.102 0.000 2.737 75 T HA 0.560 4.911 4.350 0.001 0.000 0.296 75 T C -0.217 174.719 174.700 0.392 0.000 0.922 75 T CA -0.398 61.806 62.100 0.174 0.000 1.079 75 T CB 1.285 70.237 68.868 0.141 0.000 0.892 75 T HN 0.148 nan 8.240 nan 0.000 0.514 76 F N 0.536 120.493 119.950 0.011 0.000 3.219 76 F HA 0.011 4.539 4.527 0.001 0.000 0.420 76 F C 2.029 177.824 175.800 -0.007 0.000 1.019 76 F CA 0.403 58.405 58.000 0.002 0.000 0.669 76 F CB -0.860 38.147 39.000 0.010 0.000 1.781 76 F HN 0.664 nan 8.300 nan 0.000 0.463 77 T N -2.728 111.923 114.554 0.161 0.000 2.896 77 T HA -0.210 4.141 4.350 0.001 0.000 0.270 77 T C 1.755 176.453 174.700 -0.003 0.000 1.104 77 T CA 2.204 64.344 62.100 0.068 0.000 1.115 77 T CB -0.396 68.507 68.868 0.060 0.000 0.843 77 T HN 0.372 nan 8.240 nan 0.000 0.523 78 T N 0.056 114.590 114.554 -0.032 0.000 3.085 78 T HA 0.237 4.587 4.350 0.001 0.000 0.241 78 T C 1.050 175.653 174.700 -0.162 0.000 0.988 78 T CA -0.397 61.655 62.100 -0.080 0.000 1.117 78 T CB -0.331 68.502 68.868 -0.058 0.000 0.978 78 T HN 0.165 nan 8.240 nan 0.000 0.454 79 L N 2.428 123.504 121.223 -0.246 0.000 3.668 79 L HA 0.161 4.501 4.340 0.001 0.000 0.273 79 L C 1.079 177.691 176.870 -0.429 0.000 1.205 79 L CA 0.825 55.421 54.840 -0.406 0.000 0.924 79 L CB -0.653 40.974 42.059 -0.720 0.000 1.297 79 L HN 0.326 nan 8.230 nan 0.000 0.418 80 V N -3.027 116.717 119.914 -0.283 0.000 4.200 80 V HA 0.450 4.570 4.120 0.001 0.000 0.332 80 V C 0.911 176.832 176.094 -0.289 0.000 1.744 80 V CA 0.660 62.809 62.300 -0.252 0.000 1.469 80 V CB 0.315 32.036 31.823 -0.168 0.000 1.024 80 V HN 0.470 nan 8.190 nan 0.000 0.397 81 G N -0.041 108.611 108.800 -0.246 0.000 3.154 81 G HA2 0.464 4.425 3.960 0.001 0.000 0.114 81 G HA3 0.464 4.425 3.960 0.001 0.000 0.114 81 G C 0.989 175.822 174.900 -0.112 0.000 2.421 81 G CA 0.883 45.828 45.100 -0.260 0.000 1.271 81 G HN 1.934 nan 8.290 nan 0.000 0.371 82 G N -0.463 108.307 108.800 -0.051 0.000 2.340 82 G HA2 0.454 4.415 3.960 0.001 0.000 0.282 82 G HA3 0.454 4.415 3.960 0.001 0.000 0.282 82 G C -2.495 172.406 174.900 0.001 0.000 1.312 82 G CA 0.474 45.560 45.100 -0.022 0.000 0.942 82 G HN 0.482 nan 8.290 nan 0.000 0.495 83 P HA -0.084 nan 4.420 nan 0.000 0.222 83 P C 1.404 178.708 177.300 0.008 0.000 1.139 83 P CA 1.514 64.604 63.100 -0.017 0.000 0.790 83 P CB 0.217 31.920 31.700 0.006 0.000 0.757 84 E N -2.114 118.131 120.200 0.075 0.000 2.107 84 E HA -0.111 4.240 4.350 0.001 0.000 0.191 84 E C 0.599 177.243 176.600 0.074 0.000 0.982 84 E CA 1.168 57.650 56.400 0.137 0.000 0.809 84 E CB -0.028 29.852 29.700 0.300 0.000 0.756 84 E HN 0.407 nan 8.360 nan 0.000 0.459 85 Y N -1.202 118.980 120.300 -0.197 0.000 2.641 85 Y HA 0.106 4.657 4.550 0.001 0.000 0.248 85 Y C 1.376 176.963 175.900 -0.522 0.000 1.170 85 Y CA -0.465 57.364 58.100 -0.452 0.000 1.201 85 Y CB 0.210 38.489 38.460 -0.301 0.000 1.232 85 Y HN -0.156 nan 8.280 nan 0.000 0.537 86 V N 1.264 121.052 119.914 -0.210 0.000 2.527 86 V HA -0.341 3.779 4.120 0.001 0.000 0.255 86 V C 2.126 178.092 176.094 -0.213 0.000 1.081 86 V CA 2.818 64.987 62.300 -0.219 0.000 1.092 86 V CB -0.416 31.210 31.823 -0.329 0.000 0.673 86 V HN 0.759 nan 8.190 nan 0.000 0.470 87 H N -2.836 116.143 119.070 -0.150 0.000 2.568 87 H HA -0.005 4.552 4.556 0.001 0.000 0.275 87 H C 1.702 177.036 175.328 0.010 0.000 1.028 87 H CA 1.137 57.203 56.048 0.030 0.000 1.173 87 H CB -1.444 28.314 29.762 -0.007 0.000 1.335 87 H HN 0.444 nan 8.280 nan 0.000 0.614 88 C N 0.020 119.260 119.300 -0.101 0.000 2.696 88 C HA 0.239 4.700 4.460 0.001 0.000 0.264 88 C C 2.047 177.082 174.990 0.076 0.000 1.288 88 C CA -0.081 58.938 59.018 0.002 0.000 1.717 88 C CB -0.954 26.769 27.740 -0.028 0.000 1.893 88 C HN 0.668 nan 8.230 nan 0.000 0.577 89 L N -0.489 120.797 121.223 0.105 0.000 2.509 89 L HA 0.039 4.380 4.340 0.001 0.000 0.222 89 L C 2.299 179.231 176.870 0.103 0.000 1.123 89 L CA 0.308 55.218 54.840 0.116 0.000 0.856 89 L CB -0.444 41.700 42.059 0.143 0.000 0.985 89 L HN 0.232 nan 8.230 nan 0.000 0.456 90 L N 0.598 121.901 121.223 0.134 0.000 1.970 90 L HA -0.154 4.187 4.340 0.001 0.000 0.212 90 L C 0.203 177.088 176.870 0.025 0.000 1.071 90 L CA 2.484 57.379 54.840 0.092 0.000 0.751 90 L CB -2.241 39.889 42.059 0.118 0.000 0.889 90 L HN 0.188 nan 8.230 nan 0.000 0.432 91 P HA -0.161 nan 4.420 nan 0.000 0.214 91 P C -1.251 176.040 177.300 -0.015 0.000 1.169 91 P CA 2.038 65.138 63.100 -0.000 0.000 0.908 91 P CB -1.199 30.509 31.700 0.013 0.000 0.791 92 P HA -0.096 nan 4.420 nan 0.000 0.222 92 P C 1.508 178.788 177.300 -0.034 0.000 1.147 92 P CA 1.352 64.438 63.100 -0.023 0.000 0.790 92 P CB -0.297 31.393 31.700 -0.018 0.000 0.780 93 L N 0.001 121.209 121.223 -0.024 0.000 2.071 93 L HA -0.003 4.338 4.340 0.001 0.000 0.201 93 L C 2.801 179.642 176.870 -0.048 0.000 1.076 93 L CA 1.079 55.902 54.840 -0.029 0.000 0.755 93 L CB -1.161 40.895 42.059 -0.005 0.000 0.915 93 L HN -0.054 nan 8.230 nan 0.000 0.445 94 E N -0.146 120.015 120.200 -0.066 0.000 2.401 94 E HA -0.249 4.102 4.350 0.001 0.000 0.204 94 E C 1.919 178.465 176.600 -0.091 0.000 1.036 94 E CA 1.221 57.564 56.400 -0.096 0.000 0.856 94 E CB 0.164 29.797 29.700 -0.112 0.000 0.770 94 E HN 0.347 nan 8.360 nan 0.000 0.527 95 S N -0.534 115.122 115.700 -0.073 0.000 2.441 95 S HA 0.086 4.556 4.470 0.001 0.000 0.224 95 S C 1.771 176.339 174.600 -0.053 0.000 1.043 95 S CA -0.025 58.130 58.200 -0.076 0.000 0.948 95 S CB 0.154 63.314 63.200 -0.067 0.000 0.810 95 S HN 0.222 nan 8.310 nan 0.000 0.504 96 L N 1.463 122.661 121.223 -0.041 0.000 2.027 96 L HA -0.043 4.298 4.340 0.001 0.000 0.206 96 L C 2.739 179.600 176.870 -0.016 0.000 1.074 96 L CA 1.147 55.972 54.840 -0.024 0.000 0.745 96 L CB -0.686 41.358 42.059 -0.026 0.000 0.898 96 L HN 0.292 nan 8.230 nan 0.000 0.433 97 A N -0.438 122.365 122.820 -0.028 0.000 2.042 97 A HA -0.234 4.087 4.320 0.001 0.000 0.222 97 A C 2.160 179.737 177.584 -0.012 0.000 1.167 97 A CA 2.444 54.468 52.037 -0.023 0.000 0.649 97 A CB -0.827 18.144 19.000 -0.049 0.000 0.809 97 A HN 0.467 nan 8.150 nan 0.000 0.457 98 T N -0.954 113.587 114.554 -0.021 0.000 3.086 98 T HA 0.263 4.614 4.350 0.001 0.000 0.250 98 T C 0.563 175.327 174.700 0.107 0.000 1.074 98 T CA -0.007 62.097 62.100 0.007 0.000 0.988 98 T CB -0.080 68.721 68.868 -0.112 0.000 0.988 98 T HN 0.092 nan 8.240 nan 0.000 0.530 99 V N 2.429 122.386 119.914 0.071 0.000 2.999 99 V HA 0.004 4.125 4.120 0.001 0.000 0.307 99 V C 1.742 177.880 176.094 0.073 0.000 1.084 99 V CA 0.364 62.720 62.300 0.094 0.000 1.155 99 V CB 1.111 32.962 31.823 0.046 0.000 0.975 99 V HN 0.404 nan 8.190 nan 0.000 0.490 100 E N 1.389 121.616 120.200 0.045 0.000 2.158 100 E HA -0.083 4.267 4.350 0.001 0.000 0.191 100 E C 0.721 177.313 176.600 -0.014 0.000 0.982 100 E CA 0.103 56.481 56.400 -0.037 0.000 0.823 100 E CB 0.228 29.861 29.700 -0.111 0.000 0.766 100 E HN 0.636 nan 8.360 nan 0.000 0.468 101 E N 1.374 121.577 120.200 0.006 0.000 2.161 101 E HA -0.020 4.331 4.350 0.001 0.000 0.263 101 E C 0.395 177.007 176.600 0.021 0.000 1.185 101 E CA 0.130 56.537 56.400 0.013 0.000 0.938 101 E CB 0.625 30.333 29.700 0.013 0.000 1.023 101 E HN 0.118 nan 8.360 nan 0.000 0.433 102 T N 3.136 117.708 114.554 0.030 0.000 2.594 102 T HA -0.228 4.123 4.350 0.001 0.000 0.266 102 T C 1.895 176.615 174.700 0.033 0.000 1.070 102 T CA 1.988 64.112 62.100 0.040 0.000 1.166 102 T CB -0.189 68.709 68.868 0.050 0.000 0.862 102 T HN 0.385 nan 8.240 nan 0.000 0.436 103 V N 1.047 120.978 119.914 0.028 0.000 2.277 103 V HA -0.229 3.892 4.120 0.001 0.000 0.253 103 V C 2.596 178.702 176.094 0.020 0.000 1.067 103 V CA 1.854 64.168 62.300 0.023 0.000 1.047 103 V CB -1.132 30.702 31.823 0.018 0.000 0.649 103 V HN 0.337 nan 8.190 nan 0.000 0.447 104 V N 1.246 121.170 119.914 0.016 0.000 2.223 104 V HA -0.290 3.831 4.120 0.001 0.000 0.244 104 V C 2.644 178.746 176.094 0.013 0.000 1.045 104 V CA 2.690 64.996 62.300 0.010 0.000 1.000 104 V CB -0.887 30.942 31.823 0.009 0.000 0.635 104 V HN 0.733 nan 8.190 nan 0.000 0.445 105 R N 0.106 120.618 120.500 0.019 0.000 2.285 105 R HA -0.137 4.204 4.340 0.001 0.000 0.213 105 R C 1.535 177.852 176.300 0.029 0.000 1.068 105 R CA 1.774 57.887 56.100 0.021 0.000 1.004 105 R CB -0.568 29.747 30.300 0.025 0.000 0.873 105 R HN 0.436 nan 8.270 nan 0.000 0.467 106 D N 1.031 121.451 120.400 0.033 0.000 2.084 106 D HA -0.088 4.553 4.640 0.001 0.000 0.196 106 D C 1.558 177.881 176.300 0.037 0.000 0.985 106 D CA 1.035 55.059 54.000 0.040 0.000 0.826 106 D CB 0.052 40.876 40.800 0.039 0.000 0.978 106 D HN 0.003 nan 8.370 nan 0.000 0.456 107 K N 0.646 121.063 120.400 0.028 0.000 2.001 107 K HA -0.130 4.191 4.320 0.001 0.000 0.214 107 K C 2.064 178.679 176.600 0.025 0.000 1.050 107 K CA 1.248 57.549 56.287 0.024 0.000 0.934 107 K CB -0.894 31.612 32.500 0.011 0.000 0.718 107 K HN 0.105 nan 8.250 nan 0.000 0.443 108 A N 0.959 123.787 122.820 0.014 0.000 1.909 108 A HA -0.237 4.084 4.320 0.001 0.000 0.221 108 A C 2.518 180.119 177.584 0.028 0.000 1.223 108 A CA 2.699 54.742 52.037 0.010 0.000 0.658 108 A CB -1.038 17.961 19.000 -0.002 0.000 0.831 108 A HN 0.141 nan 8.150 nan 0.000 0.462 109 V N -0.202 119.732 119.914 0.034 0.000 2.343 109 V HA -0.278 3.843 4.120 0.001 0.000 0.247 109 V C 2.512 178.653 176.094 0.078 0.000 1.051 109 V CA 2.338 64.669 62.300 0.051 0.000 1.036 109 V CB -0.839 31.017 31.823 0.055 0.000 0.654 109 V HN 0.791 nan 8.190 nan 0.000 0.451 110 E N 0.550 120.792 120.200 0.070 0.000 2.049 110 E HA -0.249 4.102 4.350 0.001 0.000 0.198 110 E C 2.318 178.973 176.600 0.093 0.000 1.007 110 E CA 2.026 58.473 56.400 0.079 0.000 0.809 110 E CB -0.143 29.593 29.700 0.060 0.000 0.749 110 E HN 0.630 nan 8.360 nan 0.000 0.450 111 S N 1.024 116.770 115.700 0.076 0.000 2.353 111 S HA -0.200 4.271 4.470 0.001 0.000 0.222 111 S C 2.074 176.753 174.600 0.132 0.000 1.035 111 S CA 1.337 59.587 58.200 0.084 0.000 1.025 111 S CB -0.501 62.728 63.200 0.049 0.000 0.902 111 S HN 0.273 nan 8.310 nan 0.000 0.440 112 L N 1.158 122.464 121.223 0.137 0.000 2.021 112 L HA -0.233 4.108 4.340 0.001 0.000 0.215 112 L C 2.792 179.833 176.870 0.285 0.000 1.074 112 L CA 1.558 56.530 54.840 0.221 0.000 0.760 112 L CB -0.454 41.690 42.059 0.142 0.000 0.889 112 L HN 0.288 nan 8.230 nan 0.000 0.433 113 R N -0.611 120.016 120.500 0.211 0.000 2.096 113 R HA -0.149 4.191 4.340 0.001 0.000 0.235 113 R C 2.352 178.777 176.300 0.209 0.000 1.127 113 R CA 1.290 57.499 56.100 0.182 0.000 0.968 113 R CB -0.517 29.885 30.300 0.170 0.000 0.861 113 R HN 0.397 nan 8.270 nan 0.000 0.440 114 A N 2.075 125.026 122.820 0.219 0.000 1.855 114 A HA -0.115 4.206 4.320 0.001 0.000 0.215 114 A C 2.233 179.976 177.584 0.265 0.000 1.191 114 A CA 1.354 53.533 52.037 0.237 0.000 0.613 114 A CB -0.625 18.459 19.000 0.140 0.000 0.829 114 A HN 0.466 nan 8.150 nan 0.000 0.442 115 I N -1.121 119.582 120.570 0.221 0.000 2.614 115 I HA -0.141 4.030 4.170 0.001 0.000 0.258 115 I C 2.208 178.503 176.117 0.297 0.000 1.189 115 I CA 1.809 63.252 61.300 0.239 0.000 1.462 115 I CB -0.377 37.778 38.000 0.258 0.000 1.092 115 I HN 0.357 nan 8.210 nan 0.000 0.442 116 S N 2.253 118.015 115.700 0.103 0.000 2.378 116 S HA -0.356 4.115 4.470 0.001 0.000 0.229 116 S C 1.916 176.376 174.600 -0.232 0.000 1.052 116 S CA 2.444 60.396 58.200 -0.414 0.000 1.084 116 S CB -0.959 61.811 63.200 -0.717 0.000 0.950 116 S HN 0.770 nan 8.310 nan 0.000 0.440 117 H N 1.454 120.492 119.070 -0.053 0.000 2.456 117 H HA 0.160 4.717 4.556 0.001 0.000 0.296 117 H C 2.153 177.497 175.328 0.027 0.000 1.079 117 H CA 1.326 57.362 56.048 -0.020 0.000 1.322 117 H CB -0.320 29.436 29.762 -0.009 0.000 1.388 117 H HN 0.459 nan 8.280 nan 0.000 0.538 118 E N 0.772 121.083 120.200 0.185 0.000 2.401 118 E HA -0.090 4.260 4.350 0.001 0.000 0.199 118 E C 0.064 176.676 176.600 0.020 0.000 1.023 118 E CA 0.454 56.901 56.400 0.078 0.000 0.859 118 E CB -0.169 29.552 29.700 0.036 0.000 0.780 118 E HN 0.675 nan 8.360 nan 0.000 0.523 119 H N 0.697 119.761 119.070 -0.010 0.000 2.582 119 H HA 0.148 4.705 4.556 0.001 0.000 0.345 119 H C 0.686 176.009 175.328 -0.009 0.000 1.104 119 H CA -0.148 55.897 56.048 -0.006 0.000 1.390 119 H CB 1.099 30.815 29.762 -0.076 0.000 1.461 119 H HN -0.004 nan 8.280 nan 0.000 0.551 120 S N 3.720 119.498 115.700 0.130 0.000 2.601 120 S HA 0.087 4.558 4.470 0.001 0.000 0.271 120 S C -1.487 173.152 174.600 0.065 0.000 1.305 120 S CA -1.297 56.948 58.200 0.075 0.000 1.022 120 S CB 1.872 65.108 63.200 0.060 0.000 0.940 120 S HN 0.462 nan 8.310 nan 0.000 0.525 121 P HA -0.144 nan 4.420 nan 0.000 0.216 121 P C 1.361 178.667 177.300 0.011 0.000 1.153 121 P CA 1.526 64.629 63.100 0.005 0.000 0.858 121 P CB -0.318 31.378 31.700 -0.007 0.000 0.789 122 S N -0.073 115.637 115.700 0.016 0.000 2.400 122 S HA -0.147 4.324 4.470 0.001 0.000 0.232 122 S C 1.670 176.282 174.600 0.019 0.000 1.025 122 S CA 1.526 59.730 58.200 0.006 0.000 0.993 122 S CB -0.825 62.379 63.200 0.007 0.000 0.808 122 S HN 0.258 nan 8.310 nan 0.000 0.478 123 D N 1.051 121.501 120.400 0.083 0.000 2.183 123 D HA 0.106 4.747 4.640 0.001 0.000 0.205 123 D C 1.945 178.351 176.300 0.177 0.000 0.962 123 D CA 0.381 54.489 54.000 0.180 0.000 0.849 123 D CB -0.167 40.821 40.800 0.314 0.000 0.978 123 D HN 0.285 nan 8.370 nan 0.000 0.488 124 L N 1.227 122.514 121.223 0.106 0.000 1.943 124 L HA -0.213 4.128 4.340 0.001 0.000 0.215 124 L C 2.402 179.291 176.870 0.032 0.000 1.074 124 L CA 1.466 56.330 54.840 0.039 0.000 0.759 124 L CB -0.492 41.542 42.059 -0.041 0.000 0.888 124 L HN -0.010 nan 8.230 nan 0.000 0.433 125 E N -0.211 119.983 120.200 -0.010 0.000 2.147 125 E HA -0.283 4.068 4.350 0.001 0.000 0.199 125 E C 2.087 178.635 176.600 -0.086 0.000 1.005 125 E CA 1.326 57.704 56.400 -0.038 0.000 0.810 125 E CB -0.220 29.454 29.700 -0.043 0.000 0.736 125 E HN 0.560 nan 8.360 nan 0.000 0.460 126 A N -0.005 122.734 122.820 -0.136 0.000 1.970 126 A HA -0.104 4.216 4.320 0.001 0.000 0.216 126 A C 1.304 178.549 177.584 -0.565 0.000 1.170 126 A CA 1.454 53.279 52.037 -0.353 0.000 0.645 126 A CB -0.176 18.561 19.000 -0.439 0.000 0.816 126 A HN 0.257 nan 8.150 nan 0.000 0.447 127 H N -4.697 114.374 119.070 0.002 0.000 2.916 127 H HA 0.273 4.830 4.556 0.001 0.000 0.229 127 H C 1.422 176.748 175.328 -0.002 0.000 0.917 127 H CA 0.142 56.192 56.048 0.003 0.000 1.048 127 H CB 0.092 29.877 29.762 0.039 0.000 1.417 127 H HN 0.349 nan 8.280 nan 0.000 0.445 128 F N 1.491 121.421 119.950 -0.034 0.000 2.022 128 F HA -0.178 4.349 4.527 0.001 0.000 0.293 128 F C 2.146 177.839 175.800 -0.178 0.000 1.142 128 F CA 1.300 59.197 58.000 -0.172 0.000 1.177 128 F CB -0.560 38.235 39.000 -0.342 0.000 0.982 128 F HN -0.135 nan 8.300 nan 0.000 0.473 129 V N 1.197 121.128 119.914 0.028 0.000 2.311 129 V HA -0.324 3.797 4.120 0.001 0.000 0.256 129 V C -0.594 175.364 176.094 -0.228 0.000 1.077 129 V CA 2.620 64.856 62.300 -0.107 0.000 1.067 129 V CB -1.851 29.945 31.823 -0.045 0.000 0.659 129 V HN 0.254 nan 8.190 nan 0.000 0.451 130 P HA -0.102 nan 4.420 nan 0.000 0.219 130 P C 1.865 179.024 177.300 -0.234 0.000 1.150 130 P CA 1.003 63.993 63.100 -0.182 0.000 0.814 130 P CB -0.001 31.629 31.700 -0.115 0.000 0.787 131 L N -0.795 120.257 121.223 -0.286 0.000 2.017 131 L HA -0.149 4.191 4.340 0.001 0.000 0.208 131 L C 2.099 178.735 176.870 -0.389 0.000 1.073 131 L CA 1.699 56.338 54.840 -0.334 0.000 0.745 131 L CB -0.968 40.812 42.059 -0.464 0.000 0.894 131 L HN -0.196 nan 8.230 nan 0.000 0.432 132 V N 0.089 119.698 119.914 -0.508 0.000 2.219 132 V HA -0.379 3.741 4.120 0.001 0.000 0.248 132 V C 2.551 178.375 176.094 -0.451 0.000 1.053 132 V CA 2.432 64.402 62.300 -0.550 0.000 1.009 132 V CB -0.787 30.606 31.823 -0.716 0.000 0.636 132 V HN 0.468 nan 8.190 nan 0.000 0.445 133 K N -0.346 119.755 120.400 -0.498 0.000 2.074 133 K HA -0.214 4.107 4.320 0.001 0.000 0.209 133 K C 2.350 178.789 176.600 -0.268 0.000 1.048 133 K CA 1.618 57.567 56.287 -0.562 0.000 0.926 133 K CB -0.316 31.816 32.500 -0.613 0.000 0.713 133 K HN 0.378 nan 8.250 nan 0.000 0.444 134 R N 0.657 121.030 120.500 -0.212 0.000 2.120 134 R HA -0.057 4.284 4.340 0.001 0.000 0.234 134 R C 2.296 178.527 176.300 -0.115 0.000 1.123 134 R CA 0.990 57.009 56.100 -0.135 0.000 0.975 134 R CB -0.207 30.011 30.300 -0.135 0.000 0.866 134 R HN 0.199 nan 8.270 nan 0.000 0.446 135 L N -0.577 120.564 121.223 -0.138 0.000 2.095 135 L HA -0.002 4.338 4.340 0.001 0.000 0.204 135 L C 2.515 179.373 176.870 -0.020 0.000 1.080 135 L CA 0.831 55.616 54.840 -0.092 0.000 0.759 135 L CB -0.423 41.569 42.059 -0.112 0.000 0.914 135 L HN 0.164 nan 8.230 nan 0.000 0.439 136 A N 0.070 122.887 122.820 -0.006 0.000 2.121 136 A HA -0.043 4.277 4.320 0.001 0.000 0.218 136 A C 1.950 179.619 177.584 0.141 0.000 1.154 136 A CA 1.474 53.577 52.037 0.110 0.000 0.679 136 A CB -0.725 18.400 19.000 0.207 0.000 0.795 136 A HN 0.439 nan 8.150 nan 0.000 0.458 137 G N -0.549 108.312 108.800 0.102 0.000 3.605 137 G HA2 0.437 4.398 3.960 0.001 0.000 0.277 137 G HA3 0.437 4.398 3.960 0.001 0.000 0.277 137 G C 0.553 175.488 174.900 0.059 0.000 1.093 137 G CA 0.399 45.571 45.100 0.120 0.000 0.821 137 G HN 0.642 nan 8.290 nan 0.000 0.532 138 G N -0.050 108.774 108.800 0.041 0.000 2.444 138 G HA2 0.338 4.299 3.960 0.001 0.000 0.268 138 G HA3 0.338 4.299 3.960 0.001 0.000 0.268 138 G C 0.527 175.473 174.900 0.077 0.000 1.203 138 G CA -0.312 44.797 45.100 0.014 0.000 0.835 138 G HN 0.109 nan 8.290 nan 0.000 0.543 139 D N 0.551 120.997 120.400 0.077 0.000 2.117 139 D HA -0.087 4.554 4.640 0.001 0.000 0.197 139 D C 0.165 176.661 176.300 0.326 0.000 0.987 139 D CA 0.941 55.050 54.000 0.182 0.000 0.829 139 D CB 0.042 40.965 40.800 0.205 0.000 0.961 139 D HN 0.355 nan 8.370 nan 0.000 0.460 140 W N 2.131 123.416 121.300 -0.026 0.000 2.368 140 W HA 0.096 4.756 4.660 0.001 0.000 0.316 140 W C 1.235 177.715 176.519 -0.065 0.000 1.375 140 W CA -1.397 55.897 57.345 -0.086 0.000 1.261 140 W CB -0.468 28.899 29.460 -0.154 0.000 1.298 140 W HN -0.062 nan 8.180 nan 0.000 0.539 141 F N 1.129 121.178 119.950 0.166 0.000 2.161 141 F HA -0.268 4.260 4.527 0.001 0.000 0.300 141 F C 1.836 177.698 175.800 0.104 0.000 1.089 141 F CA 1.960 60.016 58.000 0.093 0.000 1.282 141 F CB -1.726 37.294 39.000 0.033 0.000 1.010 141 F HN 0.234 nan 8.300 nan 0.000 0.485 142 T N -1.139 113.071 114.554 -0.574 0.000 2.665 142 T HA -0.267 4.084 4.350 0.001 0.000 0.268 142 T C 1.999 176.712 174.700 0.023 0.000 1.035 142 T CA 1.856 63.782 62.100 -0.290 0.000 1.151 142 T CB -1.297 67.356 68.868 -0.358 0.000 0.862 142 T HN 0.436 nan 8.240 nan 0.000 0.438 143 S N 1.979 117.715 115.700 0.061 0.000 2.359 143 S HA -0.166 4.305 4.470 0.001 0.000 0.223 143 S C 2.242 176.881 174.600 0.064 0.000 1.039 143 S CA 1.577 59.801 58.200 0.042 0.000 1.042 143 S CB -0.403 62.800 63.200 0.006 0.000 0.915 143 S HN 0.461 nan 8.310 nan 0.000 0.439 144 R N 1.040 121.604 120.500 0.107 0.000 2.094 144 R HA -0.076 4.265 4.340 0.001 0.000 0.239 144 R C 2.678 179.049 176.300 0.119 0.000 1.137 144 R CA 1.971 58.140 56.100 0.115 0.000 0.943 144 R CB -1.349 29.028 30.300 0.127 0.000 0.850 144 R HN 0.392 nan 8.270 nan 0.000 0.433 145 T N 0.095 114.742 114.554 0.154 0.000 2.624 145 T HA -0.209 4.142 4.350 0.001 0.000 0.268 145 T C 2.031 176.800 174.700 0.115 0.000 1.041 145 T CA 1.917 64.103 62.100 0.143 0.000 1.159 145 T CB -0.434 68.554 68.868 0.200 0.000 0.863 145 T HN 0.203 nan 8.240 nan 0.000 0.434 146 S N 0.964 116.720 115.700 0.094 0.000 2.370 146 S HA -0.085 4.386 4.470 0.001 0.000 0.226 146 S C 2.547 177.188 174.600 0.068 0.000 1.033 146 S CA 1.002 59.241 58.200 0.066 0.000 1.011 146 S CB -0.654 62.563 63.200 0.029 0.000 0.852 146 S HN 0.614 nan 8.310 nan 0.000 0.457 147 A N 0.842 123.707 122.820 0.075 0.000 1.873 147 A HA -0.220 4.100 4.320 0.001 0.000 0.218 147 A C 2.388 180.140 177.584 0.281 0.000 1.193 147 A CA 1.851 53.947 52.037 0.098 0.000 0.629 147 A CB -1.520 17.566 19.000 0.143 0.000 0.826 147 A HN 0.645 nan 8.150 nan 0.000 0.447 148 C N -0.850 118.631 119.300 0.302 0.000 2.397 148 C HA -0.136 4.325 4.460 0.001 0.000 0.282 148 C C 2.644 177.858 174.990 0.374 0.000 1.252 148 C CA 0.724 59.943 59.018 0.334 0.000 1.811 148 C CB -1.849 25.971 27.740 0.133 0.000 2.027 148 C HN 0.745 nan 8.230 nan 0.000 0.503 149 G N -0.420 108.527 108.800 0.245 0.000 2.813 149 G HA2 0.165 4.125 3.960 0.001 0.000 0.209 149 G HA3 0.165 4.125 3.960 0.001 0.000 0.209 149 G C 1.141 176.155 174.900 0.191 0.000 1.150 149 G CA 0.151 45.371 45.100 0.200 0.000 0.785 149 G HN 0.605 nan 8.290 nan 0.000 0.535 150 L N -1.203 120.118 121.223 0.164 0.000 2.693 150 L HA 0.400 4.741 4.340 0.001 0.000 0.235 150 L C 1.650 178.538 176.870 0.029 0.000 1.127 150 L CA -0.343 54.545 54.840 0.079 0.000 0.914 150 L CB -0.007 42.012 42.059 -0.066 0.000 1.193 150 L HN -0.035 nan 8.230 nan 0.000 0.502 151 F N 0.303 120.288 119.950 0.059 0.000 2.149 151 F HA -0.129 4.399 4.527 0.001 0.000 0.294 151 F C 2.920 178.810 175.800 0.151 0.000 1.095 151 F CA 1.475 59.483 58.000 0.013 0.000 1.276 151 F CB -0.771 38.009 39.000 -0.366 0.000 1.023 151 F HN 0.065 nan 8.300 nan 0.000 0.480 152 S N 0.647 116.554 115.700 0.345 0.000 2.389 152 S HA -0.232 4.239 4.470 0.001 0.000 0.231 152 S C 2.204 176.933 174.600 0.215 0.000 1.052 152 S CA 2.359 60.739 58.200 0.300 0.000 1.053 152 S CB -0.838 62.484 63.200 0.204 0.000 0.886 152 S HN 0.252 nan 8.310 nan 0.000 0.456 153 V N 0.929 120.927 119.914 0.139 0.000 2.446 153 V HA -0.031 4.090 4.120 0.001 0.000 0.244 153 V C 2.680 178.733 176.094 -0.069 0.000 1.039 153 V CA 1.221 63.516 62.300 -0.009 0.000 1.045 153 V CB -1.828 29.900 31.823 -0.158 0.000 0.681 153 V HN 0.871 nan 8.190 nan 0.000 0.459 154 C N -0.958 118.339 119.300 -0.004 0.000 2.486 154 C HA 0.031 4.491 4.460 0.001 0.000 0.279 154 C C 2.624 177.664 174.990 0.083 0.000 1.302 154 C CA 0.667 59.658 59.018 -0.044 0.000 1.720 154 C CB -1.783 25.975 27.740 0.030 0.000 2.030 154 C HN 0.612 nan 8.230 nan 0.000 0.490 155 Y N 3.987 124.343 120.300 0.093 0.000 2.133 155 Y HA -0.209 4.342 4.550 0.001 0.000 0.279 155 Y C -0.558 175.383 175.900 0.068 0.000 1.209 155 Y CA 2.725 60.912 58.100 0.144 0.000 1.152 155 Y CB -1.521 37.128 38.460 0.316 0.000 0.961 155 Y HN 0.254 nan 8.280 nan 0.000 0.512 156 P HA -0.134 nan 4.420 nan 0.000 0.218 156 P C 0.893 178.183 177.300 -0.018 0.000 1.148 156 P CA 2.111 65.277 63.100 0.110 0.000 0.822 156 P CB 0.015 31.782 31.700 0.110 0.000 0.784 157 R N -1.199 119.278 120.500 -0.038 0.000 2.307 157 R HA 0.136 4.477 4.340 0.001 0.000 0.200 157 R C 0.985 177.241 176.300 -0.073 0.000 0.893 157 R CA 0.071 56.140 56.100 -0.052 0.000 1.042 157 R CB -0.087 30.190 30.300 -0.037 0.000 1.059 157 R HN 0.165 nan 8.270 nan 0.000 0.530 158 V N -0.323 119.532 119.914 -0.099 0.000 3.641 158 V HA 0.248 4.369 4.120 0.001 0.000 0.286 158 V C 0.779 176.803 176.094 -0.116 0.000 1.027 158 V CA -1.015 61.230 62.300 -0.091 0.000 1.032 158 V CB 1.096 32.874 31.823 -0.074 0.000 1.238 158 V HN 0.202 nan 8.190 nan 0.000 0.439 159 S N -0.048 115.601 115.700 -0.084 0.000 2.584 159 S HA 0.115 4.586 4.470 0.001 0.000 0.270 159 S C 1.001 175.543 174.600 -0.098 0.000 1.346 159 S CA 0.287 58.442 58.200 -0.075 0.000 1.018 159 S CB 0.724 63.898 63.200 -0.043 0.000 0.899 159 S HN 0.903 nan 8.310 nan 0.000 0.542 160 S N 1.260 116.915 115.700 -0.075 0.000 2.547 160 S HA 0.030 4.501 4.470 0.001 0.000 0.235 160 S C 1.838 176.421 174.600 -0.027 0.000 0.980 160 S CA 0.677 58.839 58.200 -0.065 0.000 0.941 160 S CB -0.664 62.515 63.200 -0.036 0.000 0.763 160 S HN 0.853 nan 8.310 nan 0.000 0.532 161 A N 0.592 123.401 122.820 -0.019 0.000 1.911 161 A HA 0.166 4.487 4.320 0.001 0.000 0.212 161 A C 2.141 179.742 177.584 0.030 0.000 1.189 161 A CA 0.568 52.611 52.037 0.010 0.000 0.639 161 A CB -0.406 18.598 19.000 0.007 0.000 0.839 161 A HN 0.342 nan 8.150 nan 0.000 0.449 162 V N 0.581 120.500 119.914 0.008 0.000 2.591 162 V HA -0.194 3.927 4.120 0.001 0.000 0.249 162 V C 2.311 178.448 176.094 0.072 0.000 1.053 162 V CA 1.979 64.301 62.300 0.037 0.000 1.068 162 V CB -0.637 31.188 31.823 0.003 0.000 0.689 162 V HN 0.491 nan 8.190 nan 0.000 0.462 163 K N 0.781 121.161 120.400 -0.032 0.000 2.009 163 K HA -0.194 4.127 4.320 0.001 0.000 0.210 163 K C 2.382 179.156 176.600 0.290 0.000 1.049 163 K CA 1.648 57.905 56.287 -0.051 0.000 0.929 163 K CB -0.563 31.633 32.500 -0.507 0.000 0.714 163 K HN 0.443 nan 8.250 nan 0.000 0.440 164 A N 1.923 124.852 122.820 0.181 0.000 1.903 164 A HA -0.284 4.037 4.320 0.001 0.000 0.219 164 A C 2.010 179.737 177.584 0.238 0.000 1.191 164 A CA 1.953 54.110 52.037 0.200 0.000 0.638 164 A CB -0.590 18.481 19.000 0.119 0.000 0.823 164 A HN 0.369 nan 8.150 nan 0.000 0.451 165 E N -0.467 119.870 120.200 0.228 0.000 2.077 165 E HA -0.162 4.188 4.350 0.001 0.000 0.193 165 E C 2.010 178.885 176.600 0.458 0.000 0.989 165 E CA 1.194 57.771 56.400 0.294 0.000 0.800 165 E CB -0.298 29.566 29.700 0.272 0.000 0.746 165 E HN 0.670 nan 8.360 nan 0.000 0.452 166 L N 0.508 122.010 121.223 0.464 0.000 2.017 166 L HA -0.196 4.145 4.340 0.001 0.000 0.208 166 L C 2.612 179.819 176.870 0.561 0.000 1.073 166 L CA 1.210 56.412 54.840 0.604 0.000 0.745 166 L CB -0.410 42.054 42.059 0.674 0.000 0.894 166 L HN 0.067 nan 8.230 nan 0.000 0.432 167 R N -0.371 120.443 120.500 0.524 0.000 2.080 167 R HA -0.234 4.107 4.340 0.001 0.000 0.236 167 R C 2.309 178.781 176.300 0.287 0.000 1.137 167 R CA 1.610 57.966 56.100 0.427 0.000 0.943 167 R CB -0.477 30.047 30.300 0.374 0.000 0.846 167 R HN 0.244 nan 8.270 nan 0.000 0.431 168 Q N 0.316 120.256 119.800 0.234 0.000 2.077 168 Q HA -0.207 4.134 4.340 0.001 0.000 0.206 168 Q C 1.743 177.783 176.000 0.066 0.000 0.989 168 Q CA 1.887 57.752 55.803 0.104 0.000 0.853 168 Q CB -0.481 28.278 28.738 0.035 0.000 0.907 168 Q HN 0.424 nan 8.270 nan 0.000 0.418 169 Y N -1.271 119.111 120.300 0.136 0.000 2.145 169 Y HA -0.217 4.334 4.550 0.001 0.000 0.286 169 Y C 1.952 177.807 175.900 -0.075 0.000 1.145 169 Y CA 1.516 59.685 58.100 0.114 0.000 1.148 169 Y CB -0.388 38.255 38.460 0.304 0.000 0.981 169 Y HN 0.249 nan 8.280 nan 0.000 0.507 170 F N 0.702 120.508 119.950 -0.240 0.000 2.333 170 F HA -0.181 4.347 4.527 0.001 0.000 0.300 170 F C 2.483 178.096 175.800 -0.311 0.000 1.083 170 F CA 1.312 58.887 58.000 -0.708 0.000 1.395 170 F CB -0.212 38.120 39.000 -1.114 0.000 1.056 170 F HN -0.114 nan 8.300 nan 0.000 0.529 171 R N 0.340 120.800 120.500 -0.066 0.000 2.057 171 R HA -0.135 4.206 4.340 0.001 0.000 0.229 171 R C 1.852 178.071 176.300 -0.135 0.000 1.136 171 R CA 1.646 57.716 56.100 -0.049 0.000 0.952 171 R CB -0.418 29.903 30.300 0.035 0.000 0.848 171 R HN 0.191 nan 8.270 nan 0.000 0.430 172 N N 0.874 119.508 118.700 -0.109 0.000 2.430 172 N HA -0.159 4.582 4.740 0.001 0.000 0.186 172 N C 1.593 177.026 175.510 -0.127 0.000 1.032 172 N CA 0.965 53.957 53.050 -0.096 0.000 0.893 172 N CB -0.086 38.357 38.487 -0.072 0.000 0.957 172 N HN 0.332 nan 8.380 nan 0.000 0.442 173 L N -0.528 120.550 121.223 -0.241 0.000 2.249 173 L HA 0.035 4.375 4.340 0.001 0.000 0.207 173 L C 1.762 178.452 176.870 -0.300 0.000 1.090 173 L CA 0.364 55.033 54.840 -0.285 0.000 0.802 173 L CB -0.025 41.759 42.059 -0.458 0.000 0.947 173 L HN 0.110 nan 8.230 nan 0.000 0.453 174 C N -0.748 118.344 119.300 -0.347 0.000 2.472 174 C HA -0.027 4.434 4.460 0.001 0.000 0.278 174 C C 2.101 177.015 174.990 -0.127 0.000 1.447 174 C CA 0.526 59.408 59.018 -0.227 0.000 1.773 174 C CB -0.999 26.645 27.740 -0.160 0.000 1.793 174 C HN 0.425 nan 8.230 nan 0.000 0.544 175 S N -0.616 115.014 115.700 -0.115 0.000 2.602 175 S HA 0.068 4.539 4.470 0.001 0.000 0.240 175 S C -0.035 174.526 174.600 -0.065 0.000 0.992 175 S CA -0.272 57.883 58.200 -0.075 0.000 0.971 175 S CB -0.206 62.957 63.200 -0.061 0.000 0.855 175 S HN 0.622 nan 8.310 nan 0.000 0.481 176 D N 2.262 122.618 120.400 -0.074 0.000 2.488 176 D HA -0.013 4.628 4.640 0.001 0.000 0.238 176 D C 0.060 176.334 176.300 -0.043 0.000 1.138 176 D CA 0.373 54.344 54.000 -0.048 0.000 0.873 176 D CB 0.808 41.583 40.800 -0.042 0.000 1.183 176 D HN 0.134 nan 8.370 nan 0.000 0.458 177 D N 0.958 121.342 120.400 -0.027 0.000 2.221 177 D HA -0.100 4.540 4.640 0.001 0.000 0.204 177 D C 0.291 176.563 176.300 -0.048 0.000 0.982 177 D CA 1.065 55.048 54.000 -0.029 0.000 0.857 177 D CB 0.105 40.898 40.800 -0.012 0.000 0.934 177 D HN 0.250 nan 8.370 nan 0.000 0.475 178 T N 0.652 115.173 114.554 -0.056 0.000 2.837 178 T HA 0.218 4.569 4.350 0.001 0.000 0.285 178 T C -1.877 172.746 174.700 -0.128 0.000 0.984 178 T CA -1.598 60.434 62.100 -0.113 0.000 1.049 178 T CB 2.038 70.812 68.868 -0.156 0.000 0.947 178 T HN -0.190 nan 8.240 nan 0.000 0.472 179 P HA -0.130 nan 4.420 nan 0.000 0.216 179 P C 2.122 179.340 177.300 -0.138 0.000 1.153 179 P CA 1.078 64.103 63.100 -0.125 0.000 0.848 179 P CB -0.083 31.546 31.700 -0.119 0.000 0.787 180 M N -1.008 118.461 119.600 -0.218 0.000 2.163 180 M HA -0.159 4.322 4.480 0.001 0.000 0.258 180 M C 1.938 178.183 176.300 -0.093 0.000 1.071 180 M CA 2.083 57.263 55.300 -0.199 0.000 1.093 180 M CB -2.279 30.067 32.600 -0.423 0.000 1.285 180 M HN -0.192 nan 8.290 nan 0.000 0.420 181 V N 0.716 120.584 119.914 -0.076 0.000 2.380 181 V HA -0.273 3.847 4.120 0.001 0.000 0.251 181 V C 2.770 178.826 176.094 -0.064 0.000 1.063 181 V CA 2.087 64.374 62.300 -0.021 0.000 1.055 181 V CB -1.014 30.807 31.823 -0.003 0.000 0.657 181 V HN 0.446 nan 8.190 nan 0.000 0.455 182 R N -0.033 120.420 120.500 -0.079 0.000 2.070 182 R HA -0.114 4.226 4.340 0.001 0.000 0.233 182 R C 2.556 178.822 176.300 -0.056 0.000 1.137 182 R CA 1.593 57.645 56.100 -0.081 0.000 0.945 182 R CB -0.409 29.848 30.300 -0.073 0.000 0.845 182 R HN 0.509 nan 8.270 nan 0.000 0.430 183 R N 0.348 120.820 120.500 -0.045 0.000 2.127 183 R HA -0.091 4.250 4.340 0.001 0.000 0.238 183 R C 2.276 178.578 176.300 0.003 0.000 1.134 183 R CA 1.264 57.352 56.100 -0.020 0.000 0.975 183 R CB -0.361 29.923 30.300 -0.026 0.000 0.865 183 R HN 0.221 nan 8.270 nan 0.000 0.447 184 A N 1.576 124.395 122.820 -0.002 0.000 1.855 184 A HA -0.054 4.267 4.320 0.001 0.000 0.215 184 A C 2.438 180.035 177.584 0.021 0.000 1.191 184 A CA 1.500 53.553 52.037 0.026 0.000 0.613 184 A CB -0.672 18.349 19.000 0.035 0.000 0.829 184 A HN 0.359 nan 8.150 nan 0.000 0.442 185 A N -0.143 122.636 122.820 -0.069 0.000 1.978 185 A HA 0.151 4.472 4.320 0.001 0.000 0.220 185 A C 2.445 180.069 177.584 0.066 0.000 1.170 185 A CA 2.123 54.062 52.037 -0.163 0.000 0.636 185 A CB -1.004 17.732 19.000 -0.441 0.000 0.810 185 A HN 1.004 nan 8.150 nan 0.000 0.448 186 A N 0.636 123.485 122.820 0.048 0.000 1.829 186 A HA -0.150 4.171 4.320 0.001 0.000 0.216 186 A C 2.508 180.171 177.584 0.130 0.000 1.207 186 A CA 2.788 54.885 52.037 0.099 0.000 0.622 186 A CB -1.403 17.634 19.000 0.061 0.000 0.846 186 A HN 1.175 nan 8.150 nan 0.000 0.447 187 S N -0.785 114.974 115.700 0.098 0.000 2.462 187 S HA -0.164 4.307 4.470 0.001 0.000 0.243 187 S C 1.513 176.186 174.600 0.122 0.000 1.003 187 S CA 1.650 59.907 58.200 0.096 0.000 0.970 187 S CB -0.203 63.043 63.200 0.077 0.000 0.762 187 S HN 0.453 nan 8.310 nan 0.000 0.510 188 K N 0.246 120.751 120.400 0.175 0.000 2.361 188 K HA 0.365 4.685 4.320 0.001 0.000 0.194 188 K C 1.688 178.421 176.600 0.223 0.000 1.032 188 K CA 0.029 56.443 56.287 0.212 0.000 1.048 188 K CB -0.519 32.151 32.500 0.284 0.000 0.842 188 K HN 0.360 nan 8.250 nan 0.000 0.526 189 L N 1.219 122.612 121.223 0.282 0.000 2.043 189 L HA -0.128 4.213 4.340 0.001 0.000 0.212 189 L C 1.985 178.899 176.870 0.073 0.000 1.075 189 L CA 2.219 57.201 54.840 0.237 0.000 0.752 189 L CB -1.007 41.214 42.059 0.269 0.000 0.891 189 L HN 0.234 nan 8.230 nan 0.000 0.432 190 G N -0.439 108.392 108.800 0.052 0.000 2.545 190 G HA2 -0.360 3.600 3.960 0.001 0.000 0.217 190 G HA3 -0.360 3.600 3.960 0.001 0.000 0.217 190 G C 1.308 176.191 174.900 -0.028 0.000 1.218 190 G CA 0.966 46.058 45.100 -0.014 0.000 0.787 190 G HN 0.682 nan 8.290 nan 0.000 0.571 191 E N -0.631 119.576 120.200 0.012 0.000 2.153 191 E HA -0.135 4.215 4.350 0.001 0.000 0.194 191 E C 2.215 178.810 176.600 -0.009 0.000 0.988 191 E CA 0.982 57.388 56.400 0.009 0.000 0.811 191 E CB -0.493 29.238 29.700 0.052 0.000 0.746 191 E HN 0.386 nan 8.360 nan 0.000 0.466 192 F N 2.160 121.986 119.950 -0.207 0.000 2.269 192 F HA 0.016 4.544 4.527 0.001 0.000 0.301 192 F C 2.234 177.821 175.800 -0.354 0.000 1.082 192 F CA 0.915 58.703 58.000 -0.355 0.000 1.360 192 F CB -0.390 38.179 39.000 -0.719 0.000 1.041 192 F HN 0.117 nan 8.300 nan 0.000 0.512 193 A N 0.419 123.024 122.820 -0.359 0.000 1.873 193 A HA -0.188 4.133 4.320 0.001 0.000 0.215 193 A C 2.248 179.638 177.584 -0.323 0.000 1.186 193 A CA 1.569 53.372 52.037 -0.391 0.000 0.616 193 A CB -0.722 18.144 19.000 -0.224 0.000 0.823 193 A HN 0.387 nan 8.150 nan 0.000 0.442 194 K N -0.235 120.041 120.400 -0.208 0.000 2.366 194 K HA -0.146 4.175 4.320 0.001 0.000 0.202 194 K C 1.538 178.051 176.600 -0.145 0.000 1.045 194 K CA 1.568 57.770 56.287 -0.142 0.000 0.934 194 K CB -0.374 32.076 32.500 -0.083 0.000 0.746 194 K HN 0.609 nan 8.250 nan 0.000 0.470 195 V N -2.119 117.656 119.914 -0.231 0.000 3.644 195 V HA 0.180 4.301 4.120 0.001 0.000 0.267 195 V C 0.667 176.659 176.094 -0.169 0.000 1.277 195 V CA -0.125 62.080 62.300 -0.158 0.000 1.096 195 V CB -0.342 31.428 31.823 -0.087 0.000 0.828 195 V HN -0.008 nan 8.190 nan 0.000 0.446 196 L N 1.939 122.937 121.223 -0.376 0.000 2.421 196 L HA 0.509 4.850 4.340 0.001 0.000 0.263 196 L C 0.357 177.168 176.870 -0.098 0.000 1.122 196 L CA -0.671 54.017 54.840 -0.253 0.000 0.804 196 L CB 0.558 42.339 42.059 -0.462 0.000 1.150 196 L HN 0.265 nan 8.230 nan 0.000 0.457 197 E N 1.603 121.794 120.200 -0.015 0.000 2.313 197 E HA 0.078 4.429 4.350 0.001 0.000 0.276 197 E C 0.861 177.441 176.600 -0.033 0.000 1.031 197 E CA -0.700 55.691 56.400 -0.015 0.000 0.857 197 E CB 1.474 31.180 29.700 0.011 0.000 1.040 197 E HN 0.430 nan 8.360 nan 0.000 0.408 198 L N 1.969 123.171 121.223 -0.036 0.000 2.173 198 L HA -0.339 4.002 4.340 0.001 0.000 0.239 198 L C 1.544 178.398 176.870 -0.026 0.000 1.123 198 L CA 2.538 57.357 54.840 -0.035 0.000 0.847 198 L CB -0.971 41.073 42.059 -0.025 0.000 0.940 198 L HN 0.629 nan 8.230 nan 0.000 0.450 199 D N -0.637 119.756 120.400 -0.012 0.000 2.116 199 D HA -0.186 4.455 4.640 0.001 0.000 0.193 199 D C 1.875 178.174 176.300 -0.001 0.000 0.998 199 D CA 1.338 55.337 54.000 -0.002 0.000 0.836 199 D CB -0.257 40.546 40.800 0.006 0.000 0.951 199 D HN 0.501 nan 8.370 nan 0.000 0.449 200 N N 0.356 119.054 118.700 -0.003 0.000 2.188 200 N HA -0.095 4.646 4.740 0.001 0.000 0.184 200 N C 2.100 177.590 175.510 -0.033 0.000 1.018 200 N CA 0.469 53.517 53.050 -0.002 0.000 0.858 200 N CB -0.126 38.366 38.487 0.008 0.000 0.989 200 N HN 0.094 nan 8.380 nan 0.000 0.426 201 V N 2.001 121.877 119.914 -0.064 0.000 2.343 201 V HA -0.219 3.901 4.120 0.001 0.000 0.247 201 V C 2.303 178.378 176.094 -0.032 0.000 1.051 201 V CA 1.584 63.836 62.300 -0.081 0.000 1.036 201 V CB -0.353 31.411 31.823 -0.097 0.000 0.654 201 V HN 0.282 nan 8.190 nan 0.000 0.451 202 K N 0.681 121.071 120.400 -0.017 0.000 1.984 202 K HA -0.115 4.205 4.320 0.001 0.000 0.209 202 K C 2.289 178.902 176.600 0.021 0.000 1.046 202 K CA 1.813 58.103 56.287 0.004 0.000 0.934 202 K CB -0.353 32.149 32.500 0.002 0.000 0.717 202 K HN 0.612 nan 8.250 nan 0.000 0.438 203 S N 0.365 116.077 115.700 0.019 0.000 2.527 203 S HA 0.013 4.484 4.470 0.001 0.000 0.222 203 S C 1.402 176.026 174.600 0.040 0.000 0.985 203 S CA 0.565 58.782 58.200 0.029 0.000 0.921 203 S CB 0.090 63.306 63.200 0.026 0.000 0.772 203 S HN 0.281 nan 8.310 nan 0.000 0.529 204 E N -0.000 120.225 120.200 0.042 0.000 2.399 204 E HA 0.258 4.609 4.350 0.001 0.000 0.206 204 E C 1.440 178.089 176.600 0.081 0.000 0.812 204 E CA -0.131 56.307 56.400 0.063 0.000 1.138 204 E CB 0.142 29.885 29.700 0.071 0.000 1.140 204 E HN 0.262 nan 8.360 nan 0.000 0.536 205 I N 1.980 122.583 120.570 0.054 0.000 2.193 205 I HA -0.195 3.976 4.170 0.001 0.000 0.240 205 I C 2.410 178.616 176.117 0.147 0.000 1.084 205 I CA 1.017 62.364 61.300 0.078 0.000 1.365 205 I CB -0.741 37.251 38.000 -0.014 0.000 1.064 205 I HN 0.141 nan 8.210 nan 0.000 0.410 206 I N 1.256 121.904 120.570 0.131 0.000 2.145 206 I HA -0.236 3.934 4.170 0.001 0.000 0.244 206 I C -0.016 176.217 176.117 0.193 0.000 1.075 206 I CA 2.168 63.599 61.300 0.218 0.000 1.332 206 I CB -2.769 35.318 38.000 0.143 0.000 1.033 206 I HN 0.139 nan 8.210 nan 0.000 0.410 207 P HA -0.136 nan 4.420 nan 0.000 0.215 207 P C 2.227 179.570 177.300 0.071 0.000 1.157 207 P CA 1.541 64.682 63.100 0.069 0.000 0.868 207 P CB -0.059 31.675 31.700 0.057 0.000 0.788 208 M N -2.483 117.187 119.600 0.116 0.000 2.086 208 M HA -0.156 4.325 4.480 0.001 0.000 0.261 208 M C 2.136 178.526 176.300 0.151 0.000 1.067 208 M CA 1.786 57.162 55.300 0.126 0.000 1.116 208 M CB -1.116 31.599 32.600 0.193 0.000 1.348 208 M HN -0.080 nan 8.290 nan 0.000 0.407 209 F N 0.989 120.971 119.950 0.054 0.000 2.065 209 F HA -0.253 4.274 4.527 0.001 0.000 0.298 209 F C 2.689 178.506 175.800 0.027 0.000 1.112 209 F CA 2.034 60.060 58.000 0.043 0.000 1.212 209 F CB -1.084 37.936 39.000 0.033 0.000 0.975 209 F HN 0.078 nan 8.300 nan 0.000 0.476 210 S N 0.268 115.754 115.700 -0.357 0.000 2.359 210 S HA -0.299 4.172 4.470 0.001 0.000 0.223 210 S C 1.958 176.387 174.600 -0.285 0.000 1.039 210 S CA 2.035 59.956 58.200 -0.465 0.000 1.042 210 S CB -0.858 62.223 63.200 -0.199 0.000 0.915 210 S HN 0.690 nan 8.310 nan 0.000 0.439 211 N N 0.316 118.933 118.700 -0.138 0.000 2.205 211 N HA -0.045 4.695 4.740 0.001 0.000 0.186 211 N C 1.776 177.229 175.510 -0.094 0.000 1.015 211 N CA 1.270 54.264 53.050 -0.093 0.000 0.862 211 N CB -0.207 38.252 38.487 -0.047 0.000 0.986 211 N HN 0.365 nan 8.380 nan 0.000 0.429 212 L N 0.569 121.741 121.223 -0.085 0.000 2.109 212 L HA -0.035 4.306 4.340 0.001 0.000 0.207 212 L C 2.421 179.243 176.870 -0.080 0.000 1.086 212 L CA 0.427 55.238 54.840 -0.048 0.000 0.760 212 L CB -0.323 41.756 42.059 0.033 0.000 0.910 212 L HN 0.174 nan 8.230 nan 0.000 0.437 213 A N -0.498 122.210 122.820 -0.187 0.000 2.125 213 A HA -0.121 4.200 4.320 0.001 0.000 0.219 213 A C 1.911 179.417 177.584 -0.130 0.000 1.156 213 A CA 1.638 53.561 52.037 -0.190 0.000 0.671 213 A CB -0.333 18.415 19.000 -0.419 0.000 0.794 213 A HN 0.492 nan 8.150 nan 0.000 0.459 214 S N -0.749 114.878 115.700 -0.122 0.000 2.754 214 S HA 0.149 4.620 4.470 0.001 0.000 0.247 214 S C 0.025 174.586 174.600 -0.066 0.000 1.031 214 S CA -0.309 57.839 58.200 -0.086 0.000 1.014 214 S CB -0.249 62.899 63.200 -0.088 0.000 0.918 214 S HN 0.546 nan 8.310 nan 0.000 0.519 215 D N 2.042 122.405 120.400 -0.063 0.000 2.406 215 D HA -0.068 4.572 4.640 0.001 0.000 0.234 215 D C 0.987 177.258 176.300 -0.048 0.000 1.196 215 D CA 0.288 54.256 54.000 -0.053 0.000 0.881 215 D CB 0.736 41.507 40.800 -0.049 0.000 1.205 215 D HN 0.409 nan 8.370 nan 0.000 0.453 216 E N 1.167 121.340 120.200 -0.044 0.000 2.118 216 E HA -0.226 4.124 4.350 0.001 0.000 0.195 216 E C 0.295 176.869 176.600 -0.042 0.000 0.992 216 E CA 1.040 57.416 56.400 -0.040 0.000 0.804 216 E CB 0.194 29.872 29.700 -0.038 0.000 0.741 216 E HN 0.434 nan 8.360 nan 0.000 0.458 217 Q N 0.258 120.029 119.800 -0.047 0.000 2.256 217 Q HA 0.005 4.345 4.340 0.001 0.000 0.254 217 Q C 0.199 176.166 176.000 -0.056 0.000 0.916 217 Q CA -0.206 55.567 55.803 -0.051 0.000 0.932 217 Q CB 1.394 30.099 28.738 -0.056 0.000 1.207 217 Q HN 0.230 nan 8.270 nan 0.000 0.426 218 D N 0.987 121.349 120.400 -0.063 0.000 2.117 218 D HA -0.205 4.436 4.640 0.001 0.000 0.197 218 D C 1.190 177.443 176.300 -0.078 0.000 0.987 218 D CA 1.743 55.696 54.000 -0.078 0.000 0.829 218 D CB -0.453 40.282 40.800 -0.108 0.000 0.961 218 D HN 0.502 nan 8.370 nan 0.000 0.460 219 S N 0.073 115.726 115.700 -0.078 0.000 2.441 219 S HA -0.158 4.312 4.470 0.001 0.000 0.242 219 S C 2.123 176.693 174.600 -0.050 0.000 1.018 219 S CA 1.284 59.442 58.200 -0.070 0.000 0.988 219 S CB -0.636 62.525 63.200 -0.065 0.000 0.778 219 S HN 0.270 nan 8.310 nan 0.000 0.498 220 V N 1.552 121.439 119.914 -0.046 0.000 2.490 220 V HA 0.058 4.179 4.120 0.001 0.000 0.238 220 V C 2.567 178.650 176.094 -0.018 0.000 1.056 220 V CA 0.730 63.012 62.300 -0.030 0.000 1.075 220 V CB -0.571 31.230 31.823 -0.038 0.000 0.746 220 V HN 0.303 nan 8.190 nan 0.000 0.479 221 R N 0.168 120.650 120.500 -0.030 0.000 2.140 221 R HA -0.248 4.093 4.340 0.001 0.000 0.250 221 R C 2.329 178.627 176.300 -0.004 0.000 1.150 221 R CA 2.080 58.165 56.100 -0.025 0.000 0.966 221 R CB -0.848 29.428 30.300 -0.040 0.000 0.869 221 R HN 0.457 nan 8.270 nan 0.000 0.445 222 L N 1.241 122.452 121.223 -0.020 0.000 2.013 222 L HA -0.220 4.121 4.340 0.001 0.000 0.212 222 L C 2.134 179.021 176.870 0.028 0.000 1.073 222 L CA 1.605 56.438 54.840 -0.011 0.000 0.753 222 L CB -0.233 41.797 42.059 -0.048 0.000 0.890 222 L HN 0.231 nan 8.230 nan 0.000 0.432 223 L N -0.382 120.859 121.223 0.030 0.000 2.201 223 L HA -0.129 4.212 4.340 0.001 0.000 0.212 223 L C 2.900 179.828 176.870 0.096 0.000 1.105 223 L CA 0.823 55.697 54.840 0.056 0.000 0.775 223 L CB -1.104 40.984 42.059 0.048 0.000 0.913 223 L HN 0.355 nan 8.230 nan 0.000 0.440 224 A N 0.531 123.418 122.820 0.112 0.000 1.917 224 A HA -0.181 4.140 4.320 0.001 0.000 0.219 224 A C 2.418 180.164 177.584 0.269 0.000 1.182 224 A CA 1.949 54.118 52.037 0.220 0.000 0.633 224 A CB -0.894 18.196 19.000 0.151 0.000 0.819 224 A HN 0.181 nan 8.150 nan 0.000 0.448 225 V N 0.137 120.155 119.914 0.175 0.000 2.250 225 V HA -0.371 3.750 4.120 0.001 0.000 0.250 225 V C 2.607 178.765 176.094 0.106 0.000 1.060 225 V CA 2.780 65.171 62.300 0.152 0.000 1.030 225 V CB -0.851 31.031 31.823 0.098 0.000 0.643 225 V HN 0.842 nan 8.190 nan 0.000 0.445 226 E N 0.611 120.858 120.200 0.079 0.000 2.049 226 E HA -0.266 4.085 4.350 0.001 0.000 0.198 226 E C 2.107 178.713 176.600 0.010 0.000 1.007 226 E CA 2.070 58.496 56.400 0.043 0.000 0.809 226 E CB -0.579 29.148 29.700 0.046 0.000 0.749 226 E HN 0.533 nan 8.360 nan 0.000 0.450 227 A N 0.363 123.193 122.820 0.017 0.000 1.940 227 A HA -0.248 4.073 4.320 0.001 0.000 0.219 227 A C 2.631 180.069 177.584 -0.243 0.000 1.176 227 A CA 1.564 53.554 52.037 -0.077 0.000 0.631 227 A CB -1.459 17.525 19.000 -0.027 0.000 0.814 227 A HN 0.630 nan 8.150 nan 0.000 0.446 228 C N -0.925 118.250 119.300 -0.209 0.000 2.403 228 C HA -0.095 4.366 4.460 0.001 0.000 0.279 228 C C 2.617 177.490 174.990 -0.195 0.000 1.269 228 C CA 1.409 60.244 59.018 -0.305 0.000 1.774 228 C CB -1.518 26.256 27.740 0.057 0.000 1.993 228 C HN 0.430 nan 8.230 nan 0.000 0.496 229 V N 1.712 121.561 119.914 -0.109 0.000 2.231 229 V HA -0.167 3.954 4.120 0.001 0.000 0.240 229 V C 2.147 178.174 176.094 -0.112 0.000 1.039 229 V CA 2.629 64.877 62.300 -0.086 0.000 0.998 229 V CB -1.042 30.751 31.823 -0.051 0.000 0.639 229 V HN 0.535 nan 8.190 nan 0.000 0.451 230 N N 0.695 119.332 118.700 -0.105 0.000 2.069 230 N HA -0.232 4.509 4.740 0.001 0.000 0.196 230 N C 1.668 177.093 175.510 -0.141 0.000 1.024 230 N CA 2.109 55.096 53.050 -0.104 0.000 0.869 230 N CB -0.533 37.901 38.487 -0.089 0.000 1.035 230 N HN 0.454 nan 8.380 nan 0.000 0.434 231 I N 0.586 121.028 120.570 -0.212 0.000 2.127 231 I HA -0.279 3.891 4.170 0.001 0.000 0.241 231 I C 2.291 178.298 176.117 -0.183 0.000 1.075 231 I CA 1.315 62.467 61.300 -0.247 0.000 1.334 231 I CB -0.603 37.128 38.000 -0.448 0.000 1.040 231 I HN 0.207 nan 8.210 nan 0.000 0.405 232 A N 0.071 122.787 122.820 -0.174 0.000 2.076 232 A HA -0.230 4.091 4.320 0.001 0.000 0.220 232 A C 2.156 179.687 177.584 -0.087 0.000 1.160 232 A CA 1.391 53.361 52.037 -0.112 0.000 0.653 232 A CB -0.556 18.389 19.000 -0.092 0.000 0.801 232 A HN 0.549 nan 8.150 nan 0.000 0.455 233 Q N -0.850 118.895 119.800 -0.091 0.000 2.378 233 Q HA 0.108 4.449 4.340 0.001 0.000 0.205 233 Q C 1.591 177.550 176.000 -0.069 0.000 0.954 233 Q CA 0.633 56.392 55.803 -0.073 0.000 0.901 233 Q CB -0.094 28.602 28.738 -0.069 0.000 0.981 233 Q HN 0.700 nan 8.270 nan 0.000 0.483 234 L N -0.106 121.070 121.223 -0.079 0.000 2.298 234 L HA 0.095 4.435 4.340 0.001 0.000 0.209 234 L C 0.547 177.381 176.870 -0.060 0.000 1.084 234 L CA 0.141 54.937 54.840 -0.073 0.000 0.816 234 L CB 0.174 42.178 42.059 -0.091 0.000 0.967 234 L HN 0.105 nan 8.230 nan 0.000 0.460 235 L N 1.514 122.702 121.223 -0.058 0.000 2.312 235 L HA 0.345 4.686 4.340 0.001 0.000 0.281 235 L C -2.129 174.720 176.870 -0.035 0.000 1.070 235 L CA -2.007 52.807 54.840 -0.042 0.000 0.805 235 L CB 0.254 42.291 42.059 -0.037 0.000 1.174 235 L HN -0.172 nan 8.230 nan 0.000 0.434 236 P HA 0.001 nan 4.420 nan 0.000 0.275 236 P C 0.181 177.469 177.300 -0.020 0.000 1.228 236 P CA -0.405 62.680 63.100 -0.024 0.000 0.786 236 P CB 1.105 32.793 31.700 -0.020 0.000 0.927 237 Q N 1.730 121.518 119.800 -0.020 0.000 2.124 237 Q HA -0.293 4.047 4.340 0.001 0.000 0.215 237 Q C 1.379 177.373 176.000 -0.009 0.000 1.015 237 Q CA 2.539 58.333 55.803 -0.016 0.000 0.890 237 Q CB -0.277 28.451 28.738 -0.017 0.000 0.966 237 Q HN 0.454 nan 8.270 nan 0.000 0.412 238 E N 0.691 120.887 120.200 -0.008 0.000 2.169 238 E HA -0.211 4.140 4.350 0.001 0.000 0.202 238 E C 1.646 178.246 176.600 0.001 0.000 1.016 238 E CA 1.876 58.274 56.400 -0.003 0.000 0.817 238 E CB -0.213 29.484 29.700 -0.004 0.000 0.736 238 E HN 0.519 nan 8.360 nan 0.000 0.462 239 D N -0.258 120.141 120.400 -0.001 0.000 2.162 239 D HA -0.006 4.634 4.640 0.001 0.000 0.205 239 D C 2.146 178.452 176.300 0.010 0.000 0.964 239 D CA 0.404 54.407 54.000 0.004 0.000 0.847 239 D CB -0.158 40.642 40.800 -0.001 0.000 0.988 239 D HN 0.164 nan 8.370 nan 0.000 0.480 240 L N 1.114 122.340 121.223 0.005 0.000 2.034 240 L HA -0.260 4.081 4.340 0.001 0.000 0.217 240 L C 2.528 179.414 176.870 0.027 0.000 1.077 240 L CA 1.446 56.294 54.840 0.013 0.000 0.769 240 L CB -0.579 41.481 42.059 0.001 0.000 0.890 240 L HN 0.011 nan 8.230 nan 0.000 0.435 241 E N 0.454 120.667 120.200 0.022 0.000 2.204 241 E HA -0.195 4.156 4.350 0.001 0.000 0.195 241 E C 1.885 178.503 176.600 0.031 0.000 0.990 241 E CA 1.494 57.910 56.400 0.027 0.000 0.821 241 E CB -0.032 29.680 29.700 0.020 0.000 0.750 241 E HN 0.430 nan 8.360 nan 0.000 0.477 242 A N -0.774 122.063 122.820 0.028 0.000 2.147 242 A HA 0.228 4.549 4.320 0.001 0.000 0.211 242 A C 1.872 179.480 177.584 0.040 0.000 1.160 242 A CA 0.450 52.504 52.037 0.029 0.000 0.781 242 A CB 0.088 19.101 19.000 0.022 0.000 0.842 242 A HN 0.300 nan 8.150 nan 0.000 0.475 243 L N -2.088 119.166 121.223 0.052 0.000 2.586 243 L HA 0.104 4.445 4.340 0.001 0.000 0.204 243 L C 2.125 179.076 176.870 0.134 0.000 1.053 243 L CA 0.314 55.202 54.840 0.080 0.000 0.856 243 L CB -0.209 41.891 42.059 0.069 0.000 1.192 243 L HN 0.130 nan 8.230 nan 0.000 0.484 244 V N -0.136 119.850 119.914 0.120 0.000 2.278 244 V HA -0.180 3.940 4.120 0.001 0.000 0.238 244 V C 2.526 178.717 176.094 0.160 0.000 1.039 244 V CA 1.183 63.586 62.300 0.172 0.000 1.017 244 V CB -0.390 31.482 31.823 0.082 0.000 0.657 244 V HN 0.250 nan 8.190 nan 0.000 0.462 245 M N -0.255 119.404 119.600 0.098 0.000 2.270 245 M HA -0.221 4.260 4.480 0.001 0.000 0.254 245 M C 0.221 176.568 176.300 0.078 0.000 1.072 245 M CA 2.517 57.867 55.300 0.083 0.000 1.077 245 M CB -3.060 29.575 32.600 0.059 0.000 1.288 245 M HN 0.248 nan 8.290 nan 0.000 0.424 246 P HA -0.141 nan 4.420 nan 0.000 0.215 246 P C 1.659 178.980 177.300 0.035 0.000 1.163 246 P CA 1.965 65.089 63.100 0.040 0.000 0.894 246 P CB -0.333 31.383 31.700 0.027 0.000 0.791 247 T N 0.012 114.589 114.554 0.038 0.000 2.674 247 T HA -0.168 4.183 4.350 0.001 0.000 0.265 247 T C 1.683 176.422 174.700 0.065 0.000 1.039 247 T CA 1.276 63.375 62.100 -0.002 0.000 1.150 247 T CB -1.094 67.727 68.868 -0.078 0.000 0.864 247 T HN 0.004 nan 8.240 nan 0.000 0.427 248 L N 1.481 122.788 121.223 0.139 0.000 2.043 248 L HA -0.080 4.261 4.340 0.001 0.000 0.212 248 L C 2.354 179.289 176.870 0.108 0.000 1.075 248 L CA 1.701 56.628 54.840 0.145 0.000 0.752 248 L CB -0.629 41.516 42.059 0.144 0.000 0.891 248 L HN 0.115 nan 8.230 nan 0.000 0.432 249 R N -0.981 119.572 120.500 0.087 0.000 2.073 249 R HA -0.193 4.148 4.340 0.001 0.000 0.234 249 R C 2.295 178.629 176.300 0.057 0.000 1.134 249 R CA 1.443 57.588 56.100 0.075 0.000 0.952 249 R CB -0.544 29.792 30.300 0.061 0.000 0.850 249 R HN 0.391 nan 8.270 nan 0.000 0.433 250 Q N 1.098 120.922 119.800 0.039 0.000 2.181 250 Q HA -0.128 4.213 4.340 0.001 0.000 0.205 250 Q C 1.793 177.809 176.000 0.026 0.000 0.980 250 Q CA 2.017 57.832 55.803 0.021 0.000 0.862 250 Q CB -0.330 28.407 28.738 -0.002 0.000 0.905 250 Q HN 0.340 nan 8.270 nan 0.000 0.429 251 A N 0.617 123.461 122.820 0.040 0.000 1.841 251 A HA -0.110 4.211 4.320 0.001 0.000 0.216 251 A C 2.366 179.982 177.584 0.052 0.000 1.199 251 A CA 2.573 54.639 52.037 0.049 0.000 0.621 251 A CB -1.552 17.497 19.000 0.082 0.000 0.835 251 A HN 0.589 nan 8.150 nan 0.000 0.445 252 A N -0.406 122.455 122.820 0.068 0.000 1.958 252 A HA -0.241 4.079 4.320 0.001 0.000 0.221 252 A C 1.861 179.469 177.584 0.039 0.000 1.178 252 A CA 1.966 54.036 52.037 0.056 0.000 0.642 252 A CB -0.616 18.427 19.000 0.073 0.000 0.816 252 A HN 0.708 nan 8.150 nan 0.000 0.453 253 E N -0.143 120.080 120.200 0.038 0.000 2.371 253 E HA -0.026 4.325 4.350 0.001 0.000 0.194 253 E C 0.172 176.789 176.600 0.028 0.000 1.012 253 E CA -0.155 56.263 56.400 0.030 0.000 0.860 253 E CB -0.052 29.663 29.700 0.026 0.000 0.811 253 E HN 0.603 nan 8.360 nan 0.000 0.502 254 D N 1.633 122.048 120.400 0.026 0.000 2.694 254 D HA -0.160 4.480 4.640 0.001 0.000 0.223 254 D C 0.786 177.102 176.300 0.027 0.000 1.158 254 D CA 0.821 54.832 54.000 0.017 0.000 0.859 254 D CB 0.778 41.584 40.800 0.010 0.000 1.210 254 D HN 0.004 nan 8.370 nan 0.000 0.506 255 K N 0.686 121.097 120.400 0.018 0.000 2.148 255 K HA -0.084 4.237 4.320 0.001 0.000 0.204 255 K C 0.897 177.526 176.600 0.048 0.000 1.050 255 K CA 0.362 56.668 56.287 0.032 0.000 0.942 255 K CB -0.018 32.494 32.500 0.019 0.000 0.724 255 K HN 0.167 nan 8.250 nan 0.000 0.446 256 S N 1.527 117.230 115.700 0.005 0.000 2.448 256 S HA 0.021 4.492 4.470 0.001 0.000 0.279 256 S C 1.178 175.744 174.600 -0.058 0.000 1.195 256 S CA -0.864 57.303 58.200 -0.055 0.000 1.051 256 S CB 0.198 63.310 63.200 -0.146 0.000 0.948 256 S HN 0.408 nan 8.310 nan 0.000 0.493 257 W N 6.480 127.797 121.300 0.028 0.000 2.350 257 W HA -0.187 4.474 4.660 0.001 0.000 0.289 257 W C 1.227 177.800 176.519 0.090 0.000 1.215 257 W CA 0.636 58.010 57.345 0.049 0.000 1.236 257 W CB -0.857 28.622 29.460 0.032 0.000 1.130 257 W HN 0.707 nan 8.180 nan 0.000 0.541 258 R N 0.977 120.836 120.500 -1.068 0.000 2.083 258 R HA -0.148 4.193 4.340 0.001 0.000 0.237 258 R C 2.423 178.579 176.300 -0.241 0.000 1.137 258 R CA 2.319 57.863 56.100 -0.928 0.000 0.951 258 R CB -0.843 28.897 30.300 -0.933 0.000 0.851 258 R HN 0.121 nan 8.270 nan 0.000 0.434 259 V N 1.065 120.877 119.914 -0.170 0.000 2.223 259 V HA -0.263 3.858 4.120 0.001 0.000 0.244 259 V C 2.347 178.463 176.094 0.038 0.000 1.045 259 V CA 1.759 64.035 62.300 -0.039 0.000 1.000 259 V CB -0.601 31.203 31.823 -0.033 0.000 0.635 259 V HN 0.328 nan 8.190 nan 0.000 0.445 260 R N -0.908 119.629 120.500 0.062 0.000 2.140 260 R HA -0.285 4.056 4.340 0.001 0.000 0.250 260 R C 2.279 178.647 176.300 0.112 0.000 1.150 260 R CA 2.454 58.609 56.100 0.091 0.000 0.966 260 R CB -0.874 29.500 30.300 0.123 0.000 0.869 260 R HN 0.647 nan 8.270 nan 0.000 0.445 261 Y N 1.362 121.707 120.300 0.075 0.000 2.081 261 Y HA -0.303 4.248 4.550 0.001 0.000 0.280 261 Y C 2.435 178.375 175.900 0.067 0.000 1.163 261 Y CA 1.726 59.892 58.100 0.110 0.000 1.135 261 Y CB -0.206 38.340 38.460 0.143 0.000 0.970 261 Y HN -0.078 nan 8.280 nan 0.000 0.498 262 M N -0.362 119.268 119.600 0.050 0.000 2.073 262 M HA -0.241 4.240 4.480 0.001 0.000 0.258 262 M C 2.176 178.447 176.300 -0.049 0.000 1.070 262 M CA 1.906 57.194 55.300 -0.021 0.000 1.103 262 M CB -1.578 31.056 32.600 0.056 0.000 1.321 262 M HN 0.293 nan 8.290 nan 0.000 0.405 263 V N 0.260 120.181 119.914 0.011 0.000 2.282 263 V HA -0.279 3.842 4.120 0.001 0.000 0.249 263 V C 2.704 178.827 176.094 0.050 0.000 1.057 263 V CA 1.984 64.325 62.300 0.069 0.000 1.032 263 V CB -2.018 29.854 31.823 0.081 0.000 0.645 263 V HN 0.486 nan 8.190 nan 0.000 0.447 264 A N 0.516 123.285 122.820 -0.084 0.000 1.841 264 A HA -0.332 3.989 4.320 0.001 0.000 0.216 264 A C 2.064 179.593 177.584 -0.091 0.000 1.199 264 A CA 2.336 54.288 52.037 -0.142 0.000 0.621 264 A CB -1.055 17.848 19.000 -0.160 0.000 0.835 264 A HN 0.544 nan 8.150 nan 0.000 0.445 265 D N -0.813 119.421 120.400 -0.277 0.000 2.228 265 D HA -0.112 4.529 4.640 0.001 0.000 0.203 265 D C 1.518 177.786 176.300 -0.054 0.000 0.988 265 D CA 1.250 55.114 54.000 -0.227 0.000 0.864 265 D CB 0.076 40.622 40.800 -0.422 0.000 0.928 265 D HN 0.400 nan 8.370 nan 0.000 0.469 266 K N -0.758 119.641 120.400 -0.002 0.000 2.372 266 K HA 0.018 4.339 4.320 0.001 0.000 0.200 266 K C 1.088 177.748 176.600 0.101 0.000 1.022 266 K CA -0.356 55.955 56.287 0.041 0.000 1.125 266 K CB 0.224 32.742 32.500 0.030 0.000 0.855 266 K HN 0.151 nan 8.250 nan 0.000 0.524 267 F N 3.267 123.180 119.950 -0.061 0.000 2.043 267 F HA -0.342 4.185 4.527 0.001 0.000 0.297 267 F C 2.575 178.357 175.800 -0.030 0.000 1.118 267 F CA 2.505 60.466 58.000 -0.065 0.000 1.202 267 F CB -0.869 38.041 39.000 -0.150 0.000 0.965 267 F HN 0.152 nan 8.300 nan 0.000 0.482 268 T N -2.425 112.129 114.554 -0.000 0.000 2.759 268 T HA -0.214 4.137 4.350 0.001 0.000 0.269 268 T C 1.806 176.444 174.700 -0.103 0.000 1.042 268 T CA 1.614 63.671 62.100 -0.070 0.000 1.140 268 T CB -0.724 68.146 68.868 0.003 0.000 0.864 268 T HN 0.444 nan 8.240 nan 0.000 0.455 269 E N 1.151 121.316 120.200 -0.058 0.000 2.038 269 E HA -0.052 4.299 4.350 0.001 0.000 0.195 269 E C 2.256 178.802 176.600 -0.090 0.000 1.000 269 E CA 1.304 57.669 56.400 -0.059 0.000 0.803 269 E CB -0.433 29.249 29.700 -0.030 0.000 0.750 269 E HN 0.472 nan 8.360 nan 0.000 0.448 270 L N 0.952 122.114 121.223 -0.102 0.000 1.956 270 L HA -0.330 4.011 4.340 0.001 0.000 0.216 270 L C 2.940 179.706 176.870 -0.174 0.000 1.073 270 L CA 1.895 56.662 54.840 -0.122 0.000 0.762 270 L CB -0.762 41.224 42.059 -0.122 0.000 0.889 270 L HN 0.246 nan 8.230 nan 0.000 0.433 271 Q N 0.642 120.273 119.800 -0.282 0.000 2.103 271 Q HA -0.370 3.971 4.340 0.001 0.000 0.213 271 Q C 2.198 178.084 176.000 -0.190 0.000 1.008 271 Q CA 2.771 58.409 55.803 -0.275 0.000 0.879 271 Q CB -0.204 28.329 28.738 -0.341 0.000 0.946 271 Q HN 0.379 nan 8.270 nan 0.000 0.413 272 K N -0.359 119.945 120.400 -0.160 0.000 1.978 272 K HA -0.217 4.104 4.320 0.001 0.000 0.214 272 K C 2.085 178.625 176.600 -0.101 0.000 1.049 272 K CA 1.596 57.811 56.287 -0.121 0.000 0.939 272 K CB -0.478 31.964 32.500 -0.096 0.000 0.721 272 K HN 0.345 nan 8.250 nan 0.000 0.441 273 A N 0.768 123.532 122.820 -0.093 0.000 1.869 273 A HA -0.200 4.121 4.320 0.001 0.000 0.218 273 A C 2.297 179.835 177.584 -0.077 0.000 1.203 273 A CA 2.298 54.287 52.037 -0.080 0.000 0.638 273 A CB -1.134 17.820 19.000 -0.077 0.000 0.831 273 A HN 0.228 nan 8.150 nan 0.000 0.450 274 V N -0.932 118.932 119.914 -0.083 0.000 2.220 274 V HA 0.132 4.253 4.120 0.001 0.000 0.250 274 V C 1.508 177.564 176.094 -0.062 0.000 1.056 274 V CA 1.754 64.013 62.300 -0.068 0.000 1.016 274 V CB -1.800 29.978 31.823 -0.075 0.000 0.639 274 V HN 1.583 nan 8.190 nan 0.000 0.446 275 G N -2.251 106.502 108.800 -0.078 0.000 2.316 275 G HA2 0.108 4.069 3.960 0.001 0.000 0.468 275 G HA3 0.108 4.069 3.960 0.001 0.000 0.468 275 G C -2.199 172.653 174.900 -0.079 0.000 1.523 275 G CA -0.148 44.910 45.100 -0.070 0.000 0.972 275 G HN 0.108 nan 8.290 nan 0.000 0.667 276 P HA -0.189 nan 4.420 nan 0.000 0.212 276 P C 1.336 178.600 177.300 -0.060 0.000 1.178 276 P CA 1.904 64.955 63.100 -0.082 0.000 0.915 276 P CB 0.184 31.842 31.700 -0.070 0.000 0.788 277 E N -0.217 119.960 120.200 -0.039 0.000 2.038 277 E HA -0.194 4.156 4.350 0.001 0.000 0.195 277 E C 2.076 178.671 176.600 -0.010 0.000 1.000 277 E CA 1.472 57.859 56.400 -0.020 0.000 0.803 277 E CB -0.478 29.215 29.700 -0.012 0.000 0.750 277 E HN 0.035 nan 8.360 nan 0.000 0.448 278 I N 1.253 121.816 120.570 -0.012 0.000 2.381 278 I HA -0.299 3.872 4.170 0.001 0.000 0.255 278 I C 2.403 178.527 176.117 0.012 0.000 1.140 278 I CA 1.503 62.803 61.300 0.001 0.000 1.404 278 I CB -1.090 36.905 38.000 -0.008 0.000 1.075 278 I HN 0.073 nan 8.210 nan 0.000 0.433 279 T N 0.230 114.778 114.554 -0.011 0.000 2.746 279 T HA -0.213 4.138 4.350 0.001 0.000 0.267 279 T C 1.959 176.711 174.700 0.088 0.000 1.039 279 T CA 1.630 63.733 62.100 0.005 0.000 1.142 279 T CB -0.150 68.665 68.868 -0.088 0.000 0.866 279 T HN 0.407 nan 8.240 nan 0.000 0.444 280 K N 0.257 120.694 120.400 0.060 0.000 2.116 280 K HA -0.054 4.267 4.320 0.001 0.000 0.203 280 K C 2.337 178.990 176.600 0.090 0.000 1.052 280 K CA 1.131 57.472 56.287 0.091 0.000 0.952 280 K CB -0.119 32.414 32.500 0.054 0.000 0.729 280 K HN 0.204 nan 8.250 nan 0.000 0.446 281 T N 1.191 115.783 114.554 0.063 0.000 2.746 281 T HA -0.101 4.250 4.350 0.001 0.000 0.267 281 T C 0.985 175.730 174.700 0.075 0.000 1.039 281 T CA 1.549 63.683 62.100 0.058 0.000 1.142 281 T CB -0.021 68.871 68.868 0.040 0.000 0.866 281 T HN 0.329 nan 8.240 nan 0.000 0.444 282 D N -0.151 120.303 120.400 0.089 0.000 2.929 282 D HA 0.236 4.877 4.640 0.001 0.000 0.291 282 D C 2.270 178.673 176.300 0.172 0.000 1.086 282 D CA 0.115 54.181 54.000 0.110 0.000 0.971 282 D CB 0.029 40.883 40.800 0.088 0.000 1.275 282 D HN 0.232 nan 8.370 nan 0.000 0.469 283 L N 1.453 122.794 121.223 0.196 0.000 1.994 283 L HA -0.124 4.216 4.340 0.001 0.000 0.208 283 L C 2.679 179.825 176.870 0.461 0.000 1.071 283 L CA 0.883 55.927 54.840 0.339 0.000 0.745 283 L CB -0.817 41.334 42.059 0.154 0.000 0.892 283 L HN -0.101 nan 8.230 nan 0.000 0.431 284 V N 0.219 120.384 119.914 0.418 0.000 2.233 284 V HA -0.247 3.874 4.120 0.001 0.000 0.252 284 V C 0.065 176.318 176.094 0.264 0.000 1.063 284 V CA 2.508 65.055 62.300 0.411 0.000 1.032 284 V CB -1.879 30.142 31.823 0.329 0.000 0.645 284 V HN 0.319 nan 8.190 nan 0.000 0.446 285 P HA -0.219 nan 4.420 nan 0.000 0.212 285 P C 1.802 179.164 177.300 0.104 0.000 1.178 285 P CA 2.376 65.545 63.100 0.114 0.000 0.915 285 P CB -0.326 31.431 31.700 0.096 0.000 0.788 286 A N -0.750 122.156 122.820 0.144 0.000 1.896 286 A HA -0.293 4.027 4.320 0.001 0.000 0.220 286 A C 2.189 179.785 177.584 0.019 0.000 1.206 286 A CA 2.235 54.338 52.037 0.110 0.000 0.647 286 A CB -2.047 17.078 19.000 0.209 0.000 0.828 286 A HN 0.153 nan 8.150 nan 0.000 0.455 287 F N 1.132 120.989 119.950 -0.155 0.000 2.154 287 F HA -0.249 4.279 4.527 0.001 0.000 0.301 287 F C 2.483 178.094 175.800 -0.315 0.000 1.087 287 F CA 2.092 59.799 58.000 -0.490 0.000 1.274 287 F CB -0.800 37.958 39.000 -0.403 0.000 1.009 287 F HN 0.457 nan 8.300 nan 0.000 0.485 288 Q N -0.431 119.252 119.800 -0.195 0.000 2.079 288 Q HA -0.216 4.125 4.340 0.001 0.000 0.200 288 Q C 1.873 177.744 176.000 -0.214 0.000 0.974 288 Q CA 1.785 57.429 55.803 -0.264 0.000 0.840 288 Q CB -0.504 28.165 28.738 -0.115 0.000 0.898 288 Q HN 0.410 nan 8.270 nan 0.000 0.430 289 N N 0.664 119.288 118.700 -0.128 0.000 2.223 289 N HA -0.093 4.648 4.740 0.001 0.000 0.185 289 N C 1.638 177.077 175.510 -0.118 0.000 1.016 289 N CA 0.829 53.822 53.050 -0.095 0.000 0.863 289 N CB -0.079 38.381 38.487 -0.046 0.000 0.983 289 N HN 0.138 nan 8.380 nan 0.000 0.429 290 L N 0.022 121.144 121.223 -0.168 0.000 2.056 290 L HA -0.071 4.269 4.340 0.001 0.000 0.207 290 L C 2.035 178.798 176.870 -0.179 0.000 1.078 290 L CA 0.959 55.701 54.840 -0.163 0.000 0.749 290 L CB -0.317 41.606 42.059 -0.227 0.000 0.901 290 L HN 0.247 nan 8.230 nan 0.000 0.433 291 M N -0.577 118.845 119.600 -0.296 0.000 2.267 291 M HA -0.203 4.278 4.480 0.001 0.000 0.263 291 M C 1.280 177.477 176.300 -0.172 0.000 1.063 291 M CA 1.575 56.706 55.300 -0.281 0.000 1.090 291 M CB -0.326 32.021 32.600 -0.422 0.000 1.392 291 M HN 0.132 nan 8.290 nan 0.000 0.422 292 K N 0.173 120.485 120.400 -0.147 0.000 2.437 292 K HA 0.118 4.439 4.320 0.001 0.000 0.205 292 K C 0.014 176.574 176.600 -0.066 0.000 1.026 292 K CA -0.179 56.049 56.287 -0.097 0.000 1.153 292 K CB 0.117 32.564 32.500 -0.087 0.000 0.863 292 K HN 0.251 nan 8.250 nan 0.000 0.502 293 D N 0.098 120.462 120.400 -0.059 0.000 2.378 293 D HA -0.044 4.597 4.640 0.001 0.000 0.238 293 D C 1.064 177.351 176.300 -0.021 0.000 1.180 293 D CA -0.085 53.901 54.000 -0.023 0.000 0.895 293 D CB 1.168 41.972 40.800 0.007 0.000 1.192 293 D HN 0.156 nan 8.370 nan 0.000 0.438 294 C N 1.136 120.431 119.300 -0.008 0.000 2.466 294 C HA 0.005 4.466 4.460 0.001 0.000 0.278 294 C C 0.899 175.858 174.990 -0.052 0.000 1.288 294 C CA -0.274 58.729 59.018 -0.024 0.000 1.722 294 C CB -0.612 27.122 27.740 -0.010 0.000 2.017 294 C HN 0.482 nan 8.230 nan 0.000 0.488 295 E N 1.147 121.315 120.200 -0.053 0.000 2.223 295 E HA 0.370 4.721 4.350 0.001 0.000 0.282 295 E C 0.979 177.521 176.600 -0.096 0.000 1.046 295 E CA 0.256 56.569 56.400 -0.144 0.000 0.857 295 E CB 1.059 30.604 29.700 -0.258 0.000 1.055 295 E HN 0.400 nan 8.360 nan 0.000 0.409 296 A N 4.190 126.942 122.820 -0.113 0.000 1.869 296 A HA -0.315 4.005 4.320 0.001 0.000 0.218 296 A C 1.991 179.561 177.584 -0.024 0.000 1.203 296 A CA 2.165 54.167 52.037 -0.059 0.000 0.638 296 A CB -0.498 18.472 19.000 -0.051 0.000 0.831 296 A HN 0.738 nan 8.150 nan 0.000 0.450 297 E N -0.724 119.427 120.200 -0.081 0.000 2.136 297 E HA -0.236 4.114 4.350 0.001 0.000 0.208 297 E C 1.834 178.561 176.600 0.211 0.000 1.035 297 E CA 2.294 58.695 56.400 0.001 0.000 0.838 297 E CB -0.324 29.251 29.700 -0.207 0.000 0.748 297 E HN 0.361 nan 8.360 nan 0.000 0.459 298 V N 0.395 120.434 119.914 0.209 0.000 2.427 298 V HA -0.235 3.885 4.120 0.001 0.000 0.248 298 V C 2.301 178.469 176.094 0.123 0.000 1.051 298 V CA 2.110 64.570 62.300 0.267 0.000 1.048 298 V CB -0.534 31.426 31.823 0.228 0.000 0.666 298 V HN 0.254 nan 8.190 nan 0.000 0.456 299 R N 0.459 120.991 120.500 0.053 0.000 2.073 299 R HA -0.114 4.227 4.340 0.001 0.000 0.234 299 R C 2.534 178.840 176.300 0.010 0.000 1.134 299 R CA 1.496 57.592 56.100 -0.007 0.000 0.952 299 R CB -0.758 29.522 30.300 -0.034 0.000 0.850 299 R HN 0.516 nan 8.270 nan 0.000 0.433 300 A N 1.777 124.623 122.820 0.043 0.000 1.873 300 A HA -0.230 4.091 4.320 0.001 0.000 0.218 300 A C 2.421 180.074 177.584 0.115 0.000 1.193 300 A CA 2.045 54.106 52.037 0.040 0.000 0.629 300 A CB -0.919 18.139 19.000 0.097 0.000 0.826 300 A HN 0.431 nan 8.150 nan 0.000 0.447 301 A N -0.177 122.771 122.820 0.212 0.000 1.848 301 A HA -0.004 4.317 4.320 0.001 0.000 0.217 301 A C 2.620 180.297 177.584 0.155 0.000 1.220 301 A CA 3.265 55.426 52.037 0.206 0.000 0.645 301 A CB -1.563 17.468 19.000 0.053 0.000 0.842 301 A HN 1.478 nan 8.150 nan 0.000 0.451 302 A N -0.858 122.013 122.820 0.085 0.000 1.909 302 A HA -0.261 4.059 4.320 0.001 0.000 0.221 302 A C 2.442 180.124 177.584 0.163 0.000 1.223 302 A CA 3.007 55.117 52.037 0.122 0.000 0.658 302 A CB -1.405 17.584 19.000 -0.018 0.000 0.831 302 A HN 0.647 nan 8.150 nan 0.000 0.462 303 S N -0.987 114.737 115.700 0.040 0.000 2.368 303 S HA -0.283 4.187 4.470 0.001 0.000 0.226 303 S C 1.715 176.362 174.600 0.078 0.000 1.044 303 S CA 1.905 60.107 58.200 0.003 0.000 1.062 303 S CB -0.746 62.394 63.200 -0.099 0.000 0.931 303 S HN 0.810 nan 8.310 nan 0.000 0.440 304 H N 1.071 120.204 119.070 0.104 0.000 2.390 304 H HA -0.040 4.517 4.556 0.001 0.000 0.298 304 H C 2.081 177.486 175.328 0.129 0.000 1.106 304 H CA 1.329 57.437 56.048 0.101 0.000 1.297 304 H CB 0.106 29.918 29.762 0.082 0.000 1.375 304 H HN 0.119 nan 8.280 nan 0.000 0.509 305 K N 0.460 121.036 120.400 0.293 0.000 2.288 305 K HA -0.056 4.265 4.320 0.001 0.000 0.201 305 K C 2.158 178.942 176.600 0.307 0.000 1.048 305 K CA 0.508 56.948 56.287 0.255 0.000 0.956 305 K CB -0.244 32.377 32.500 0.201 0.000 0.746 305 K HN 0.176 nan 8.250 nan 0.000 0.461 306 V N 2.251 122.412 119.914 0.413 0.000 2.233 306 V HA -0.391 3.730 4.120 0.001 0.000 0.256 306 V C 2.581 178.878 176.094 0.338 0.000 1.069 306 V CA 2.567 65.131 62.300 0.441 0.000 1.054 306 V CB -0.735 31.254 31.823 0.277 0.000 0.664 306 V HN 0.420 nan 8.190 nan 0.000 0.453 307 K N 0.155 120.693 120.400 0.231 0.000 1.978 307 K HA -0.292 4.029 4.320 0.001 0.000 0.214 307 K C 2.337 179.030 176.600 0.155 0.000 1.049 307 K CA 2.256 58.648 56.287 0.175 0.000 0.939 307 K CB -0.370 32.206 32.500 0.127 0.000 0.721 307 K HN 0.609 nan 8.250 nan 0.000 0.441 308 E N -0.410 119.873 120.200 0.138 0.000 2.114 308 E HA -0.251 4.100 4.350 0.001 0.000 0.199 308 E C 1.920 178.567 176.600 0.079 0.000 1.008 308 E CA 1.624 58.078 56.400 0.089 0.000 0.810 308 E CB -0.274 29.474 29.700 0.081 0.000 0.739 308 E HN 0.431 nan 8.360 nan 0.000 0.456 309 F N 0.746 120.682 119.950 -0.024 0.000 2.075 309 F HA -0.235 4.292 4.527 0.001 0.000 0.297 309 F C 2.332 178.112 175.800 -0.032 0.000 1.113 309 F CA 1.771 59.709 58.000 -0.102 0.000 1.218 309 F CB -0.578 38.269 39.000 -0.255 0.000 0.984 309 F HN 0.163 nan 8.300 nan 0.000 0.472 310 C N 0.424 119.841 119.300 0.195 0.000 2.429 310 C HA -0.181 4.279 4.460 0.001 0.000 0.277 310 C C 2.669 177.637 174.990 -0.036 0.000 1.262 310 C CA 1.322 60.396 59.018 0.094 0.000 1.733 310 C CB -1.323 26.544 27.740 0.211 0.000 2.010 310 C HN 0.580 nan 8.230 nan 0.000 0.483 311 E N 0.869 121.066 120.200 -0.005 0.000 2.097 311 E HA -0.181 4.170 4.350 0.001 0.000 0.196 311 E C 0.918 177.467 176.600 -0.086 0.000 1.000 311 E CA 1.007 57.392 56.400 -0.024 0.000 0.804 311 E CB -0.075 29.625 29.700 -0.001 0.000 0.740 311 E HN 0.600 nan 8.360 nan 0.000 0.454 312 N N 0.373 118.977 118.700 -0.160 0.000 2.346 312 N HA 0.098 4.839 4.740 0.001 0.000 0.225 312 N C -0.492 174.854 175.510 -0.274 0.000 1.144 312 N CA 0.184 53.114 53.050 -0.201 0.000 0.837 312 N CB 0.291 38.655 38.487 -0.205 0.000 1.069 312 N HN 0.109 nan 8.380 nan 0.000 0.487 313 L N 0.288 121.358 121.223 -0.256 0.000 2.439 313 L HA 0.224 4.565 4.340 0.001 0.000 0.259 313 L C 0.772 177.561 176.870 -0.136 0.000 1.129 313 L CA -0.466 54.230 54.840 -0.239 0.000 0.803 313 L CB 0.700 42.645 42.059 -0.189 0.000 1.161 313 L HN -0.063 nan 8.230 nan 0.000 0.462 314 S N 1.009 116.645 115.700 -0.106 0.000 2.546 314 S HA -0.012 4.459 4.470 0.001 0.000 0.290 314 S C 1.267 175.838 174.600 -0.048 0.000 1.290 314 S CA 0.089 58.247 58.200 -0.069 0.000 1.069 314 S CB 1.215 64.383 63.200 -0.053 0.000 0.846 314 S HN 0.748 nan 8.310 nan 0.000 0.495 315 A N 3.911 126.707 122.820 -0.041 0.000 1.984 315 A HA -0.316 4.005 4.320 0.001 0.000 0.224 315 A C 1.470 179.044 177.584 -0.017 0.000 1.256 315 A CA 2.601 54.621 52.037 -0.027 0.000 0.679 315 A CB -1.163 17.823 19.000 -0.022 0.000 0.829 315 A HN 0.949 nan 8.150 nan 0.000 0.483 316 D N -0.973 119.417 120.400 -0.016 0.000 1.971 316 D HA -0.059 4.582 4.640 0.001 0.000 0.300 316 D C 1.938 178.236 176.300 -0.004 0.000 1.091 316 D CA 1.006 55.002 54.000 -0.008 0.000 0.835 316 D CB -1.372 39.424 40.800 -0.007 0.000 1.002 316 D HN 0.826 nan 8.370 nan 0.000 0.343 317 C N -0.094 119.206 119.300 -0.001 0.000 2.378 317 C HA -0.399 4.062 4.460 0.001 0.000 0.258 317 C C 2.488 177.484 174.990 0.011 0.000 1.064 317 C CA 1.867 60.889 59.018 0.006 0.000 1.883 317 C CB -1.874 25.870 27.740 0.007 0.000 2.206 317 C HN 0.643 nan 8.230 nan 0.000 0.438 318 R N 1.544 122.045 120.500 0.002 0.000 2.335 318 R HA -0.415 3.925 4.340 0.001 0.000 0.202 318 R C 2.176 178.492 176.300 0.027 0.000 1.086 318 R CA 3.010 59.115 56.100 0.008 0.000 0.622 318 R CB -1.280 29.018 30.300 -0.004 0.000 0.875 318 R HN 0.851 nan 8.270 nan 0.000 0.316 319 E N -0.242 119.973 120.200 0.025 0.000 2.113 319 E HA -0.312 4.039 4.350 0.001 0.000 0.210 319 E C 1.801 178.419 176.600 0.030 0.000 1.040 319 E CA 2.233 58.651 56.400 0.032 0.000 0.847 319 E CB -0.207 29.510 29.700 0.030 0.000 0.755 319 E HN 0.435 nan 8.360 nan 0.000 0.459 320 N N -0.310 118.406 118.700 0.026 0.000 1.997 320 N HA -0.221 4.520 4.740 0.001 0.000 0.198 320 N C 1.975 177.503 175.510 0.031 0.000 1.063 320 N CA 2.533 55.597 53.050 0.023 0.000 0.860 320 N CB -0.572 37.928 38.487 0.022 0.000 1.063 320 N HN 0.255 nan 8.380 nan 0.000 0.424 321 V N -0.247 119.694 119.914 0.045 0.000 2.313 321 V HA -0.293 3.828 4.120 0.001 0.000 0.253 321 V C 1.891 178.038 176.094 0.088 0.000 1.070 321 V CA 1.895 64.239 62.300 0.073 0.000 1.057 321 V CB -1.066 30.813 31.823 0.093 0.000 0.653 321 V HN 0.341 nan 8.190 nan 0.000 0.450 322 I N -1.052 119.567 120.570 0.082 0.000 2.179 322 I HA -0.214 3.957 4.170 0.001 0.000 0.242 322 I C 2.684 178.821 176.117 0.033 0.000 1.088 322 I CA 2.538 63.890 61.300 0.088 0.000 1.357 322 I CB -0.372 37.678 38.000 0.083 0.000 1.051 322 I HN 0.337 nan 8.210 nan 0.000 0.409 323 M N 0.623 120.222 119.600 -0.002 0.000 2.200 323 M HA -0.132 4.349 4.480 0.001 0.000 0.265 323 M C 2.468 178.723 176.300 -0.075 0.000 1.066 323 M CA 1.806 57.063 55.300 -0.073 0.000 1.127 323 M CB -0.170 32.384 32.600 -0.077 0.000 1.379 323 M HN 0.318 nan 8.290 nan 0.000 0.420 324 S N -1.443 114.241 115.700 -0.027 0.000 2.404 324 S HA -0.001 4.470 4.470 0.001 0.000 0.223 324 S C 1.820 176.417 174.600 -0.004 0.000 1.040 324 S CA 0.371 58.561 58.200 -0.017 0.000 0.957 324 S CB -0.292 62.909 63.200 0.002 0.000 0.826 324 S HN 0.418 nan 8.310 nan 0.000 0.491 325 Q N 0.360 120.174 119.800 0.024 0.000 2.324 325 Q HA 0.408 4.749 4.340 0.001 0.000 0.207 325 Q C 2.000 178.015 176.000 0.025 0.000 0.928 325 Q CA 0.539 56.365 55.803 0.038 0.000 0.890 325 Q CB -0.062 28.726 28.738 0.084 0.000 1.001 325 Q HN 0.552 nan 8.270 nan 0.000 0.517 326 I N -0.078 120.518 120.570 0.043 0.000 2.834 326 I HA -0.120 4.050 4.170 0.001 0.000 0.239 326 I C 2.018 178.118 176.117 -0.028 0.000 1.073 326 I CA 0.146 61.456 61.300 0.017 0.000 1.459 326 I CB -0.330 37.743 38.000 0.121 0.000 1.288 326 I HN 0.023 nan 8.210 nan 0.000 0.455 327 L N 2.133 123.349 121.223 -0.013 0.000 2.151 327 L HA -0.234 4.107 4.340 0.001 0.000 0.219 327 L C -0.747 176.084 176.870 -0.065 0.000 1.083 327 L CA 2.519 57.333 54.840 -0.043 0.000 0.782 327 L CB -1.539 40.470 42.059 -0.083 0.000 0.891 327 L HN 0.126 nan 8.230 nan 0.000 0.439 328 P HA -0.082 nan 4.420 nan 0.000 0.218 328 P C 1.852 179.110 177.300 -0.070 0.000 1.149 328 P CA 1.681 64.740 63.100 -0.068 0.000 0.817 328 P CB -0.143 31.521 31.700 -0.061 0.000 0.785 329 C N -1.197 118.050 119.300 -0.087 0.000 2.489 329 C HA -0.043 4.418 4.460 0.001 0.000 0.279 329 C C 2.585 177.513 174.990 -0.103 0.000 1.266 329 C CA 0.270 59.220 59.018 -0.114 0.000 1.707 329 C CB -1.587 26.045 27.740 -0.181 0.000 2.059 329 C HN 0.166 nan 8.230 nan 0.000 0.481 330 I N 1.314 121.828 120.570 -0.093 0.000 2.113 330 I HA -0.348 3.822 4.170 0.001 0.000 0.242 330 I C 2.669 178.759 176.117 -0.045 0.000 1.057 330 I CA 2.041 63.305 61.300 -0.061 0.000 1.314 330 I CB -0.603 37.383 38.000 -0.024 0.000 1.022 330 I HN 0.408 nan 8.210 nan 0.000 0.408 331 K N 0.452 120.827 120.400 -0.043 0.000 2.218 331 K HA -0.232 4.089 4.320 0.001 0.000 0.205 331 K C 2.008 178.586 176.600 -0.038 0.000 1.046 331 K CA 1.388 57.654 56.287 -0.035 0.000 0.933 331 K CB 0.021 32.499 32.500 -0.036 0.000 0.728 331 K HN 0.267 nan 8.250 nan 0.000 0.454 332 E N 0.315 120.485 120.200 -0.050 0.000 2.318 332 E HA -0.029 4.322 4.350 0.001 0.000 0.193 332 E C 1.873 178.442 176.600 -0.052 0.000 0.998 332 E CA 0.266 56.636 56.400 -0.050 0.000 0.859 332 E CB 0.197 29.863 29.700 -0.057 0.000 0.812 332 E HN 0.359 nan 8.360 nan 0.000 0.492 333 L N 0.082 121.270 121.223 -0.059 0.000 2.109 333 L HA -0.115 4.226 4.340 0.001 0.000 0.207 333 L C 2.405 179.250 176.870 -0.041 0.000 1.086 333 L CA 0.460 55.265 54.840 -0.059 0.000 0.760 333 L CB -0.242 41.774 42.059 -0.072 0.000 0.910 333 L HN -0.033 nan 8.230 nan 0.000 0.437 334 V N -0.983 118.913 119.914 -0.029 0.000 2.453 334 V HA -0.282 3.838 4.120 0.001 0.000 0.252 334 V C 2.071 178.153 176.094 -0.021 0.000 1.068 334 V CA 2.003 64.294 62.300 -0.016 0.000 1.070 334 V CB -0.509 31.312 31.823 -0.003 0.000 0.664 334 V HN 0.381 nan 8.190 nan 0.000 0.461 335 S N -1.752 113.932 115.700 -0.026 0.000 2.556 335 S HA 0.071 4.542 4.470 0.001 0.000 0.216 335 S C 0.685 175.265 174.600 -0.033 0.000 0.970 335 S CA -0.303 57.881 58.200 -0.027 0.000 0.912 335 S CB -0.358 62.827 63.200 -0.025 0.000 0.790 335 S HN 0.632 nan 8.310 nan 0.000 0.504 336 D N 1.552 121.929 120.400 -0.038 0.000 2.563 336 D HA -0.014 4.627 4.640 0.001 0.000 0.229 336 D C 1.100 177.375 176.300 -0.042 0.000 1.159 336 D CA 0.323 54.298 54.000 -0.042 0.000 0.869 336 D CB 0.746 41.519 40.800 -0.045 0.000 1.203 336 D HN 0.277 nan 8.370 nan 0.000 0.478 337 A N 3.812 126.607 122.820 -0.042 0.000 2.067 337 A HA -0.111 4.210 4.320 0.001 0.000 0.217 337 A C 1.058 178.610 177.584 -0.053 0.000 1.156 337 A CA 0.400 52.411 52.037 -0.044 0.000 0.683 337 A CB -0.064 18.911 19.000 -0.041 0.000 0.808 337 A HN 0.643 nan 8.150 nan 0.000 0.455 338 N N 0.180 118.850 118.700 -0.050 0.000 2.458 338 N HA 0.129 4.870 4.740 0.001 0.000 0.270 338 N C 1.053 176.510 175.510 -0.089 0.000 1.102 338 N CA -0.189 52.827 53.050 -0.056 0.000 0.967 338 N CB 0.579 39.055 38.487 -0.018 0.000 1.078 338 N HN 0.221 nan 8.380 nan 0.000 0.471 339 Q N 2.112 121.808 119.800 -0.173 0.000 2.061 339 Q HA -0.232 4.109 4.340 0.001 0.000 0.204 339 Q C 1.001 176.872 176.000 -0.215 0.000 0.984 339 Q CA 1.957 57.617 55.803 -0.238 0.000 0.846 339 Q CB -0.478 28.040 28.738 -0.366 0.000 0.902 339 Q HN 0.792 nan 8.270 nan 0.000 0.421 340 H N -0.228 118.823 119.070 -0.032 0.000 2.321 340 H HA -0.091 4.465 4.556 0.001 0.000 0.300 340 H C 2.329 177.625 175.328 -0.053 0.000 1.087 340 H CA 1.367 57.398 56.048 -0.028 0.000 1.319 340 H CB -0.048 29.708 29.762 -0.010 0.000 1.379 340 H HN -0.032 nan 8.280 nan 0.000 0.501 341 V N 1.085 121.032 119.914 0.055 0.000 2.255 341 V HA -0.284 3.837 4.120 0.001 0.000 0.247 341 V C 2.282 178.347 176.094 -0.047 0.000 1.051 341 V CA 1.862 64.154 62.300 -0.014 0.000 1.018 341 V CB -0.443 31.366 31.823 -0.023 0.000 0.641 341 V HN 0.354 nan 8.190 nan 0.000 0.445 342 K N -0.119 120.255 120.400 -0.043 0.000 2.015 342 K HA -0.261 4.060 4.320 0.001 0.000 0.216 342 K C 2.562 179.135 176.600 -0.044 0.000 1.052 342 K CA 2.055 58.315 56.287 -0.045 0.000 0.937 342 K CB -0.541 31.930 32.500 -0.048 0.000 0.719 342 K HN 0.408 nan 8.250 nan 0.000 0.446 343 S N 0.136 115.812 115.700 -0.041 0.000 2.365 343 S HA -0.223 4.248 4.470 0.001 0.000 0.225 343 S C 1.971 176.543 174.600 -0.047 0.000 1.039 343 S CA 1.514 59.698 58.200 -0.027 0.000 1.033 343 S CB -0.297 62.905 63.200 0.002 0.000 0.887 343 S HN 0.422 nan 8.310 nan 0.000 0.447 344 A N 1.384 124.135 122.820 -0.115 0.000 1.873 344 A HA -0.094 4.227 4.320 0.001 0.000 0.218 344 A C 2.224 179.673 177.584 -0.226 0.000 1.193 344 A CA 1.902 53.730 52.037 -0.348 0.000 0.629 344 A CB -1.135 17.487 19.000 -0.630 0.000 0.826 344 A HN 0.604 nan 8.150 nan 0.000 0.447 345 L N -0.339 120.803 121.223 -0.134 0.000 2.083 345 L HA -0.071 4.270 4.340 0.001 0.000 0.209 345 L C 2.648 179.517 176.870 -0.002 0.000 1.083 345 L CA 2.146 56.958 54.840 -0.047 0.000 0.752 345 L CB -0.554 41.488 42.059 -0.028 0.000 0.899 345 L HN 0.357 nan 8.230 nan 0.000 0.433 346 A N -1.036 121.778 122.820 -0.010 0.000 2.076 346 A HA -0.220 4.101 4.320 0.001 0.000 0.220 346 A C 2.423 180.001 177.584 -0.011 0.000 1.160 346 A CA 1.826 53.863 52.037 -0.000 0.000 0.653 346 A CB -0.948 18.045 19.000 -0.012 0.000 0.801 346 A HN 0.676 nan 8.150 nan 0.000 0.455 347 S N -1.044 114.659 115.700 0.004 0.000 2.528 347 S HA 0.098 4.569 4.470 0.001 0.000 0.219 347 S C 1.232 175.854 174.600 0.036 0.000 0.985 347 S CA 0.921 59.133 58.200 0.020 0.000 0.914 347 S CB -0.115 63.124 63.200 0.065 0.000 0.776 347 S HN 1.078 nan 8.310 nan 0.000 0.526 348 V N -2.457 117.487 119.914 0.051 0.000 3.485 348 V HA 0.462 4.583 4.120 0.001 0.000 0.280 348 V C 1.706 177.849 176.094 0.081 0.000 1.495 348 V CA 0.016 62.360 62.300 0.074 0.000 1.018 348 V CB -0.679 31.214 31.823 0.116 0.000 0.818 348 V HN 0.365 nan 8.190 nan 0.000 0.436 349 I N 0.756 121.375 120.570 0.082 0.000 2.163 349 I HA -0.248 3.922 4.170 0.001 0.000 0.243 349 I C 2.513 178.738 176.117 0.180 0.000 1.085 349 I CA 2.347 63.735 61.300 0.146 0.000 1.347 349 I CB 0.118 38.230 38.000 0.186 0.000 1.044 349 I HN 0.258 nan 8.210 nan 0.000 0.408 350 M N -0.039 119.581 119.600 0.034 0.000 2.358 350 M HA -0.093 4.387 4.480 0.001 0.000 0.264 350 M C 1.992 178.318 176.300 0.044 0.000 1.064 350 M CA 1.345 56.609 55.300 -0.059 0.000 1.093 350 M CB -0.817 31.555 32.600 -0.380 0.000 1.401 350 M HN 0.424 nan 8.290 nan 0.000 0.440 351 G N 0.200 109.029 108.800 0.049 0.000 2.708 351 G HA2 -0.053 3.908 3.960 0.001 0.000 0.210 351 G HA3 -0.053 3.908 3.960 0.001 0.000 0.210 351 G C 1.441 176.395 174.900 0.091 0.000 1.141 351 G CA 0.151 45.285 45.100 0.057 0.000 0.788 351 G HN 0.367 nan 8.290 nan 0.000 0.531 352 L N 0.277 121.580 121.223 0.133 0.000 2.313 352 L HA -0.022 4.319 4.340 0.001 0.000 0.214 352 L C 2.976 179.926 176.870 0.135 0.000 1.119 352 L CA 0.363 55.286 54.840 0.139 0.000 0.809 352 L CB -0.186 41.970 42.059 0.162 0.000 0.933 352 L HN 0.171 nan 8.230 nan 0.000 0.449 353 S N 1.003 116.802 115.700 0.165 0.000 2.365 353 S HA -0.134 4.337 4.470 0.001 0.000 0.221 353 S C -0.532 174.126 174.600 0.097 0.000 1.037 353 S CA 1.841 60.132 58.200 0.151 0.000 1.060 353 S CB -1.464 61.842 63.200 0.177 0.000 0.974 353 S HN 0.365 nan 8.310 nan 0.000 0.427 354 P HA -0.020 nan 4.420 nan 0.000 0.229 354 P C 1.046 178.376 177.300 0.050 0.000 1.150 354 P CA 0.926 64.058 63.100 0.054 0.000 0.765 354 P CB -0.133 31.592 31.700 0.042 0.000 0.783 355 I N -0.738 119.868 120.570 0.060 0.000 2.405 355 I HA -0.106 4.065 4.170 0.001 0.000 0.236 355 I C 2.620 178.769 176.117 0.054 0.000 1.071 355 I CA 0.542 61.873 61.300 0.052 0.000 1.398 355 I CB -0.496 37.540 38.000 0.059 0.000 1.162 355 I HN -0.201 nan 8.210 nan 0.000 0.432 356 L N 0.644 121.907 121.223 0.068 0.000 2.042 356 L HA -0.058 4.283 4.340 0.001 0.000 0.210 356 L C 1.145 178.051 176.870 0.059 0.000 1.076 356 L CA 1.080 55.960 54.840 0.067 0.000 0.749 356 L CB -1.164 40.944 42.059 0.081 0.000 0.893 356 L HN 0.582 nan 8.230 nan 0.000 0.432 357 G N -0.823 108.013 108.800 0.060 0.000 2.592 357 G HA2 -0.227 3.734 3.960 0.001 0.000 0.684 357 G HA3 -0.227 3.734 3.960 0.001 0.000 0.684 357 G C 0.057 174.987 174.900 0.050 0.000 1.291 357 G CA 0.025 45.155 45.100 0.050 0.000 0.891 357 G HN 0.099 nan 8.290 nan 0.000 0.544 358 K N -0.443 119.981 120.400 0.041 0.000 1.974 358 K HA -0.170 4.151 4.320 0.001 0.000 0.229 358 K C 2.142 178.756 176.600 0.022 0.000 1.038 358 K CA 2.385 58.694 56.287 0.036 0.000 1.034 358 K CB -0.428 32.090 32.500 0.029 0.000 0.742 358 K HN 0.540 nan 8.250 nan 0.000 0.446 359 D N 0.421 120.828 120.400 0.011 0.000 2.191 359 D HA -0.243 4.398 4.640 0.001 0.000 0.190 359 D C 1.815 178.099 176.300 -0.025 0.000 1.007 359 D CA 1.278 55.272 54.000 -0.010 0.000 0.865 359 D CB -0.598 40.198 40.800 -0.007 0.000 0.929 359 D HN 0.356 nan 8.370 nan 0.000 0.447 360 N N 0.214 118.921 118.700 0.012 0.000 2.043 360 N HA -0.117 4.624 4.740 0.001 0.000 0.193 360 N C 1.923 177.451 175.510 0.030 0.000 1.037 360 N CA 1.388 54.468 53.050 0.050 0.000 0.851 360 N CB -0.537 38.003 38.487 0.089 0.000 1.027 360 N HN 0.176 nan 8.380 nan 0.000 0.422 361 T N 2.142 116.713 114.554 0.029 0.000 2.759 361 T HA -0.025 4.326 4.350 0.001 0.000 0.269 361 T C 2.058 176.724 174.700 -0.057 0.000 1.042 361 T CA 0.766 62.873 62.100 0.012 0.000 1.140 361 T CB -0.120 68.794 68.868 0.077 0.000 0.864 361 T HN 0.239 nan 8.240 nan 0.000 0.455 362 I N 0.579 121.123 120.570 -0.043 0.000 2.439 362 I HA -0.067 4.104 4.170 0.001 0.000 0.251 362 I C 2.619 178.661 176.117 -0.124 0.000 1.139 362 I CA 1.233 62.495 61.300 -0.063 0.000 1.438 362 I CB -0.349 37.631 38.000 -0.034 0.000 1.085 362 I HN 0.304 nan 8.210 nan 0.000 0.427 363 E N 0.211 120.293 120.200 -0.197 0.000 2.140 363 E HA -0.132 4.219 4.350 0.001 0.000 0.191 363 E C 1.899 178.259 176.600 -0.400 0.000 0.973 363 E CA 0.712 56.909 56.400 -0.338 0.000 0.829 363 E CB 0.254 29.647 29.700 -0.513 0.000 0.781 363 E HN 0.552 nan 8.360 nan 0.000 0.466 364 H N -0.748 118.268 119.070 -0.090 0.000 2.729 364 H HA 0.171 4.727 4.556 0.001 0.000 0.263 364 H C 1.967 177.179 175.328 -0.192 0.000 0.961 364 H CA 0.175 56.158 56.048 -0.108 0.000 1.217 364 H CB 0.687 30.406 29.762 -0.072 0.000 1.447 364 H HN 0.168 nan 8.280 nan 0.000 0.496 365 L N -0.147 120.959 121.223 -0.194 0.000 2.187 365 L HA -0.034 4.307 4.340 0.001 0.000 0.197 365 L C 2.106 178.398 176.870 -0.963 0.000 1.090 365 L CA 0.265 54.759 54.840 -0.576 0.000 0.781 365 L CB -0.392 41.303 42.059 -0.607 0.000 0.956 365 L HN 0.038 nan 8.230 nan 0.000 0.463 366 L N 0.519 121.303 121.223 -0.733 0.000 2.030 366 L HA -0.225 4.116 4.340 0.001 0.000 0.222 366 L C -0.392 176.352 176.870 -0.211 0.000 1.082 366 L CA 2.505 57.110 54.840 -0.392 0.000 0.785 366 L CB -2.136 39.876 42.059 -0.078 0.000 0.895 366 L HN 0.131 nan 8.230 nan 0.000 0.439 367 P HA -0.212 nan 4.420 nan 0.000 0.218 367 P C 1.874 179.138 177.300 -0.060 0.000 1.150 367 P CA 1.467 64.520 63.100 -0.077 0.000 0.841 367 P CB -0.019 31.639 31.700 -0.070 0.000 0.784 368 L N -2.706 118.436 121.223 -0.135 0.000 2.034 368 L HA -0.083 4.257 4.340 0.001 0.000 0.203 368 L C 2.486 179.423 176.870 0.112 0.000 1.074 368 L CA 1.296 56.106 54.840 -0.050 0.000 0.748 368 L CB -1.186 40.805 42.059 -0.114 0.000 0.905 368 L HN -0.067 nan 8.230 nan 0.000 0.439 369 F N -0.519 119.438 119.950 0.011 0.000 2.087 369 F HA -0.346 4.181 4.527 0.001 0.000 0.299 369 F C 2.587 178.390 175.800 0.005 0.000 1.100 369 F CA 0.473 58.476 58.000 0.005 0.000 1.226 369 F CB -0.343 38.662 39.000 0.008 0.000 0.983 369 F HN 0.104 nan 8.300 nan 0.000 0.479 370 L N 0.551 121.899 121.223 0.209 0.000 2.013 370 L HA -0.235 4.106 4.340 0.001 0.000 0.212 370 L C 2.629 179.546 176.870 0.078 0.000 1.073 370 L CA 2.216 57.125 54.840 0.116 0.000 0.753 370 L CB -1.655 40.445 42.059 0.069 0.000 0.890 370 L HN 0.123 nan 8.230 nan 0.000 0.432 371 A N -1.500 121.358 122.820 0.063 0.000 2.014 371 A HA -0.171 4.150 4.320 0.001 0.000 0.218 371 A C 2.086 179.695 177.584 0.041 0.000 1.163 371 A CA 0.943 53.004 52.037 0.040 0.000 0.652 371 A CB -0.203 18.811 19.000 0.023 0.000 0.808 371 A HN 0.592 nan 8.150 nan 0.000 0.449 372 Q N -0.930 118.910 119.800 0.065 0.000 2.033 372 Q HA -0.038 4.303 4.340 0.001 0.000 0.196 372 Q C 1.697 177.718 176.000 0.035 0.000 0.970 372 Q CA 0.773 56.605 55.803 0.049 0.000 0.828 372 Q CB -0.348 28.435 28.738 0.075 0.000 0.895 372 Q HN 0.454 nan 8.270 nan 0.000 0.440 373 L N 1.324 122.580 121.223 0.054 0.000 2.456 373 L HA -0.175 4.165 4.340 0.001 0.000 0.225 373 L C 1.292 178.180 176.870 0.030 0.000 1.142 373 L CA 1.785 56.648 54.840 0.037 0.000 0.796 373 L CB -0.316 41.778 42.059 0.060 0.000 0.920 373 L HN 0.161 nan 8.230 nan 0.000 0.446 374 K N -1.422 118.995 120.400 0.029 0.000 2.402 374 K HA 0.070 4.391 4.320 0.001 0.000 0.204 374 K C 0.338 176.943 176.600 0.008 0.000 1.056 374 K CA -0.308 55.991 56.287 0.020 0.000 1.069 374 K CB 0.788 33.303 32.500 0.024 0.000 0.888 374 K HN 0.201 nan 8.250 nan 0.000 0.546 375 D N 1.783 122.185 120.400 0.004 0.000 2.383 375 D HA -0.113 4.527 4.640 0.001 0.000 0.233 375 D C 0.433 176.723 176.300 -0.016 0.000 1.233 375 D CA 0.725 54.720 54.000 -0.008 0.000 0.881 375 D CB 0.722 41.514 40.800 -0.013 0.000 1.212 375 D HN 0.045 nan 8.370 nan 0.000 0.467 376 E N 0.216 120.402 120.200 -0.022 0.000 2.476 376 E HA 0.082 4.433 4.350 0.001 0.000 0.191 376 E C -0.533 176.045 176.600 -0.038 0.000 1.064 376 E CA -0.208 56.176 56.400 -0.026 0.000 0.866 376 E CB 0.237 29.922 29.700 -0.025 0.000 0.952 376 E HN 0.219 nan 8.360 nan 0.000 0.492 377 C N 1.235 120.509 119.300 -0.044 0.000 2.271 377 C HA 0.321 4.781 4.460 0.001 0.000 0.323 377 C C -1.652 173.302 174.990 -0.059 0.000 1.245 377 C CA -2.493 56.490 59.018 -0.058 0.000 1.548 377 C CB 0.538 28.237 27.740 -0.069 0.000 2.214 377 C HN 0.130 nan 8.230 nan 0.000 0.477 378 P HA -0.161 nan 4.420 nan 0.000 0.216 378 P C 1.506 178.756 177.300 -0.084 0.000 1.150 378 P CA 1.497 64.545 63.100 -0.086 0.000 0.843 378 P CB 0.138 31.768 31.700 -0.117 0.000 0.787 379 E N -0.505 119.650 120.200 -0.075 0.000 2.097 379 E HA -0.131 4.220 4.350 0.001 0.000 0.196 379 E C 1.997 178.568 176.600 -0.049 0.000 1.000 379 E CA 1.209 57.574 56.400 -0.058 0.000 0.804 379 E CB -0.761 28.913 29.700 -0.042 0.000 0.740 379 E HN 0.121 nan 8.360 nan 0.000 0.454 380 V N 0.661 120.546 119.914 -0.048 0.000 2.346 380 V HA -0.170 3.951 4.120 0.001 0.000 0.244 380 V C 2.451 178.521 176.094 -0.039 0.000 1.037 380 V CA 1.450 63.727 62.300 -0.039 0.000 1.029 380 V CB -0.438 31.364 31.823 -0.035 0.000 0.663 380 V HN 0.138 nan 8.190 nan 0.000 0.454 381 R N -0.359 120.116 120.500 -0.041 0.000 2.091 381 R HA -0.143 4.198 4.340 0.001 0.000 0.238 381 R C 2.375 178.643 176.300 -0.053 0.000 1.136 381 R CA 1.638 57.716 56.100 -0.038 0.000 0.959 381 R CB -0.485 29.794 30.300 -0.035 0.000 0.856 381 R HN 0.410 nan 8.270 nan 0.000 0.437 382 L N 0.854 122.037 121.223 -0.066 0.000 1.989 382 L HA -0.262 4.079 4.340 0.001 0.000 0.211 382 L C 1.595 178.421 176.870 -0.073 0.000 1.071 382 L CA 1.714 56.508 54.840 -0.076 0.000 0.749 382 L CB -0.287 41.719 42.059 -0.089 0.000 0.890 382 L HN 0.218 nan 8.230 nan 0.000 0.431 383 N N -0.275 118.389 118.700 -0.060 0.000 2.084 383 N HA -0.196 4.545 4.740 0.001 0.000 0.190 383 N C 1.734 177.192 175.510 -0.087 0.000 1.030 383 N CA 1.265 54.280 53.050 -0.058 0.000 0.849 383 N CB -0.174 38.293 38.487 -0.033 0.000 1.012 383 N HN 0.202 nan 8.380 nan 0.000 0.423 384 I N 1.166 121.684 120.570 -0.087 0.000 2.163 384 I HA -0.214 3.957 4.170 0.001 0.000 0.243 384 I C 1.944 177.957 176.117 -0.174 0.000 1.085 384 I CA 1.077 62.298 61.300 -0.131 0.000 1.347 384 I CB -0.846 37.100 38.000 -0.089 0.000 1.044 384 I HN 0.185 nan 8.210 nan 0.000 0.408 385 I N 0.118 120.603 120.570 -0.142 0.000 2.248 385 I HA -0.382 3.789 4.170 0.001 0.000 0.248 385 I C 2.774 178.741 176.117 -0.250 0.000 1.107 385 I CA 1.512 62.703 61.300 -0.182 0.000 1.373 385 I CB -0.519 37.409 38.000 -0.120 0.000 1.055 385 I HN 0.269 nan 8.210 nan 0.000 0.418 386 S N 2.081 117.673 115.700 -0.182 0.000 2.389 386 S HA -0.239 4.232 4.470 0.001 0.000 0.229 386 S C 1.434 175.904 174.600 -0.216 0.000 1.048 386 S CA 2.177 60.275 58.200 -0.169 0.000 1.117 386 S CB -0.400 62.734 63.200 -0.109 0.000 1.020 386 S HN 0.497 nan 8.310 nan 0.000 0.430 387 N N 1.453 120.025 118.700 -0.214 0.000 2.346 387 N HA 0.185 4.926 4.740 0.001 0.000 0.225 387 N C 1.143 176.489 175.510 -0.273 0.000 1.144 387 N CA 0.034 52.955 53.050 -0.214 0.000 0.837 387 N CB -0.111 38.274 38.487 -0.170 0.000 1.069 387 N HN 0.443 nan 8.380 nan 0.000 0.487 388 L N 0.515 121.514 121.223 -0.374 0.000 2.131 388 L HA -0.184 4.157 4.340 0.001 0.000 0.210 388 L C 1.286 178.026 176.870 -0.216 0.000 1.092 388 L CA 1.104 55.738 54.840 -0.343 0.000 0.759 388 L CB -0.385 41.366 42.059 -0.513 0.000 0.903 388 L HN 0.008 nan 8.230 nan 0.000 0.435 389 D N -0.346 119.886 120.400 -0.281 0.000 2.244 389 D HA -0.272 4.369 4.640 0.001 0.000 0.197 389 D C 2.017 178.329 176.300 0.021 0.000 1.006 389 D CA 1.823 55.803 54.000 -0.033 0.000 0.888 389 D CB -0.339 40.433 40.800 -0.046 0.000 0.912 389 D HN 0.632 nan 8.370 nan 0.000 0.452 390 C N -1.505 117.776 119.300 -0.031 0.000 3.270 390 C HA 0.297 4.758 4.460 0.001 0.000 0.369 390 C C 2.617 177.611 174.990 0.007 0.000 1.326 390 C CA 0.237 59.251 59.018 -0.006 0.000 1.846 390 C CB -0.496 27.234 27.740 -0.017 0.000 2.534 390 C HN 0.198 nan 8.230 nan 0.000 0.649 391 V N 1.841 121.749 119.914 -0.010 0.000 2.594 391 V HA -0.111 4.010 4.120 0.001 0.000 0.253 391 V C 1.760 177.893 176.094 0.066 0.000 1.069 391 V CA 2.655 64.983 62.300 0.047 0.000 1.082 391 V CB -1.442 30.424 31.823 0.073 0.000 0.680 391 V HN 0.649 nan 8.190 nan 0.000 0.469 392 N N 0.465 119.199 118.700 0.057 0.000 2.482 392 N HA -0.002 4.739 4.740 0.001 0.000 0.220 392 N C 1.180 176.720 175.510 0.051 0.000 1.255 392 N CA 0.553 53.643 53.050 0.066 0.000 0.850 392 N CB -0.153 38.389 38.487 0.091 0.000 1.127 392 N HN 0.657 nan 8.380 nan 0.000 0.475 393 E N -1.474 118.753 120.200 0.045 0.000 2.535 393 E HA 0.108 4.459 4.350 0.001 0.000 0.216 393 E C 0.932 177.555 176.600 0.038 0.000 0.845 393 E CA 0.234 56.655 56.400 0.035 0.000 1.306 393 E CB 0.498 30.216 29.700 0.029 0.000 1.291 393 E HN 0.203 nan 8.360 nan 0.000 0.635 394 V N 2.331 122.275 119.914 0.049 0.000 2.398 394 V HA 0.089 4.210 4.120 0.001 0.000 0.236 394 V C 1.740 177.867 176.094 0.054 0.000 1.054 394 V CA 0.786 63.119 62.300 0.055 0.000 1.060 394 V CB -0.107 31.760 31.823 0.075 0.000 0.707 394 V HN 0.182 nan 8.190 nan 0.000 0.480 395 I N -0.320 120.290 120.570 0.066 0.000 3.418 395 I HA 0.608 4.779 4.170 0.001 0.000 0.279 395 I C 0.635 176.781 176.117 0.049 0.000 1.143 395 I CA -0.063 61.272 61.300 0.058 0.000 0.983 395 I CB 0.196 38.239 38.000 0.072 0.000 1.558 395 I HN 0.210 nan 8.210 nan 0.000 0.766 396 G N 0.237 109.063 108.800 0.043 0.000 2.502 396 G HA2 0.370 4.331 3.960 0.001 0.000 0.305 396 G HA3 0.370 4.331 3.960 0.001 0.000 0.305 396 G C 0.205 175.127 174.900 0.036 0.000 1.190 396 G CA -0.587 44.535 45.100 0.036 0.000 0.933 396 G HN 0.786 nan 8.290 nan 0.000 0.503 397 I N -0.330 120.256 120.570 0.026 0.000 2.493 397 I HA -0.023 4.147 4.170 0.001 0.000 0.254 397 I C 2.445 178.571 176.117 0.015 0.000 1.160 397 I CA 1.116 62.423 61.300 0.013 0.000 1.445 397 I CB -0.158 37.841 38.000 -0.002 0.000 1.086 397 I HN 0.626 nan 8.210 nan 0.000 0.433 398 R N -0.496 120.023 120.500 0.031 0.000 2.073 398 R HA -0.111 4.230 4.340 0.001 0.000 0.229 398 R C 2.241 178.571 176.300 0.050 0.000 1.120 398 R CA 0.999 57.127 56.100 0.047 0.000 0.967 398 R CB -0.185 30.143 30.300 0.047 0.000 0.862 398 R HN 0.352 nan 8.270 nan 0.000 0.436 399 Q N 0.613 120.439 119.800 0.044 0.000 2.119 399 Q HA -0.140 4.201 4.340 0.001 0.000 0.201 399 Q C 2.102 178.135 176.000 0.056 0.000 0.972 399 Q CA 1.000 56.832 55.803 0.048 0.000 0.847 399 Q CB -0.241 28.523 28.738 0.044 0.000 0.903 399 Q HN 0.263 nan 8.270 nan 0.000 0.433 400 L N 0.981 122.237 121.223 0.056 0.000 2.042 400 L HA -0.191 4.150 4.340 0.001 0.000 0.210 400 L C 2.233 179.138 176.870 0.059 0.000 1.076 400 L CA 2.401 57.280 54.840 0.066 0.000 0.749 400 L CB -0.774 41.321 42.059 0.061 0.000 0.893 400 L HN 0.235 nan 8.230 nan 0.000 0.432 401 S N -1.944 113.780 115.700 0.039 0.000 2.481 401 S HA -0.199 4.272 4.470 0.001 0.000 0.231 401 S C 1.888 176.545 174.600 0.094 0.000 0.996 401 S CA 0.921 59.149 58.200 0.047 0.000 0.942 401 S CB -0.472 62.740 63.200 0.021 0.000 0.768 401 S HN 0.713 nan 8.310 nan 0.000 0.520 402 Q N 1.013 120.862 119.800 0.082 0.000 2.398 402 Q HA 0.062 4.402 4.340 0.001 0.000 0.204 402 Q C 1.390 177.429 176.000 0.064 0.000 0.932 402 Q CA 1.098 56.946 55.803 0.076 0.000 0.916 402 Q CB 0.156 28.932 28.738 0.063 0.000 1.024 402 Q HN 0.774 nan 8.270 nan 0.000 0.504 403 S N -1.706 114.033 115.700 0.066 0.000 2.663 403 S HA 0.121 4.592 4.470 0.001 0.000 0.247 403 S C 1.211 175.858 174.600 0.079 0.000 1.074 403 S CA -0.267 57.972 58.200 0.064 0.000 0.955 403 S CB 0.237 63.471 63.200 0.057 0.000 0.901 403 S HN 0.145 nan 8.310 nan 0.000 0.505 404 L N 1.266 122.542 121.223 0.090 0.000 2.362 404 L HA 0.412 4.752 4.340 0.001 0.000 0.204 404 L C 2.056 178.984 176.870 0.098 0.000 1.060 404 L CA 0.511 55.412 54.840 0.101 0.000 0.827 404 L CB -0.843 41.286 42.059 0.117 0.000 1.027 404 L HN 0.213 nan 8.230 nan 0.000 0.474 405 L N 1.068 122.345 121.223 0.089 0.000 2.030 405 L HA -0.229 4.112 4.340 0.001 0.000 0.222 405 L C -0.272 176.652 176.870 0.090 0.000 1.082 405 L CA 2.657 57.548 54.840 0.084 0.000 0.785 405 L CB -1.912 40.188 42.059 0.068 0.000 0.895 405 L HN 0.146 nan 8.230 nan 0.000 0.439 406 P HA -0.186 nan 4.420 nan 0.000 0.215 406 P C 1.657 179.000 177.300 0.071 0.000 1.163 406 P CA 2.380 65.524 63.100 0.072 0.000 0.894 406 P CB -0.135 31.603 31.700 0.063 0.000 0.791 407 A N -1.092 121.773 122.820 0.075 0.000 1.902 407 A HA -0.178 4.143 4.320 0.001 0.000 0.217 407 A C 2.252 179.890 177.584 0.089 0.000 1.181 407 A CA 1.410 53.491 52.037 0.074 0.000 0.623 407 A CB -1.617 17.427 19.000 0.073 0.000 0.818 407 A HN 0.094 nan 8.150 nan 0.000 0.443 408 I N -0.170 120.464 120.570 0.106 0.000 2.127 408 I HA -0.257 3.913 4.170 0.001 0.000 0.241 408 I C 2.314 178.517 176.117 0.143 0.000 1.075 408 I CA 1.545 62.930 61.300 0.141 0.000 1.334 408 I CB -0.334 37.771 38.000 0.174 0.000 1.040 408 I HN 0.174 nan 8.210 nan 0.000 0.405 409 V N 0.273 120.252 119.914 0.109 0.000 2.490 409 V HA -0.272 3.849 4.120 0.001 0.000 0.250 409 V C 2.341 178.486 176.094 0.086 0.000 1.061 409 V CA 1.831 64.182 62.300 0.085 0.000 1.064 409 V CB -0.696 31.156 31.823 0.049 0.000 0.670 409 V HN 0.461 nan 8.190 nan 0.000 0.461 410 E N -0.306 119.943 120.200 0.081 0.000 2.152 410 E HA -0.162 4.189 4.350 0.001 0.000 0.192 410 E C 2.047 178.704 176.600 0.096 0.000 0.983 410 E CA 0.572 57.016 56.400 0.074 0.000 0.818 410 E CB 0.044 29.779 29.700 0.058 0.000 0.758 410 E HN 0.347 nan 8.360 nan 0.000 0.467 411 L N 0.372 121.663 121.223 0.113 0.000 2.291 411 L HA 0.017 4.358 4.340 0.001 0.000 0.214 411 L C 2.138 179.123 176.870 0.191 0.000 1.120 411 L CA 1.364 56.278 54.840 0.124 0.000 0.799 411 L CB -0.910 41.216 42.059 0.112 0.000 0.925 411 L HN 0.101 nan 8.230 nan 0.000 0.446 412 A N -0.386 122.589 122.820 0.258 0.000 2.121 412 A HA -0.133 4.188 4.320 0.001 0.000 0.218 412 A C 1.380 179.248 177.584 0.473 0.000 1.154 412 A CA 1.212 53.532 52.037 0.472 0.000 0.679 412 A CB -0.367 18.881 19.000 0.414 0.000 0.795 412 A HN 0.619 nan 8.150 nan 0.000 0.458 413 E N 0.008 120.363 120.200 0.257 0.000 2.869 413 E HA 0.132 4.483 4.350 0.001 0.000 0.207 413 E C -0.431 176.256 176.600 0.146 0.000 0.986 413 E CA -0.614 55.912 56.400 0.211 0.000 1.131 413 E CB 0.242 30.021 29.700 0.132 0.000 1.098 413 E HN 0.542 nan 8.360 nan 0.000 0.459 414 D N 0.935 121.418 120.400 0.139 0.000 2.192 414 D HA -0.041 4.599 4.640 0.001 0.000 0.238 414 D C 0.739 177.083 176.300 0.072 0.000 1.348 414 D CA 0.734 54.783 54.000 0.082 0.000 0.938 414 D CB 0.837 41.672 40.800 0.059 0.000 1.256 414 D HN 0.186 nan 8.370 nan 0.000 0.529 415 A N 0.155 122.999 122.820 0.040 0.000 2.085 415 A HA 0.053 4.373 4.320 0.001 0.000 0.208 415 A C 0.414 178.018 177.584 0.034 0.000 1.191 415 A CA 0.294 52.352 52.037 0.035 0.000 0.799 415 A CB 0.310 19.320 19.000 0.016 0.000 0.877 415 A HN 0.293 nan 8.150 nan 0.000 0.473 416 K N 1.532 121.928 120.400 -0.006 0.000 2.248 416 K HA 0.107 4.428 4.320 0.001 0.000 0.281 416 K C 0.968 177.533 176.600 -0.059 0.000 1.054 416 K CA -0.796 55.449 56.287 -0.070 0.000 0.903 416 K CB 0.401 32.801 32.500 -0.166 0.000 1.077 416 K HN 0.666 nan 8.250 nan 0.000 0.474 417 W N 4.221 125.525 121.300 0.006 0.000 2.305 417 W HA -0.251 4.410 4.660 0.001 0.000 0.308 417 W C 0.976 177.475 176.519 -0.032 0.000 1.226 417 W CA 0.613 57.953 57.345 -0.009 0.000 1.253 417 W CB -0.594 28.867 29.460 0.002 0.000 1.146 417 W HN 0.496 nan 8.180 nan 0.000 0.507 418 R N 1.087 121.111 120.500 -0.794 0.000 2.105 418 R HA -0.136 4.205 4.340 0.001 0.000 0.239 418 R C 2.282 178.434 176.300 -0.247 0.000 1.135 418 R CA 1.972 57.657 56.100 -0.691 0.000 0.967 418 R CB -0.747 28.943 30.300 -1.016 0.000 0.861 418 R HN 0.240 nan 8.270 nan 0.000 0.442 419 V N 0.548 120.345 119.914 -0.195 0.000 2.453 419 V HA -0.199 3.922 4.120 0.001 0.000 0.247 419 V C 2.471 178.544 176.094 -0.035 0.000 1.048 419 V CA 1.477 63.721 62.300 -0.093 0.000 1.049 419 V CB -0.434 31.351 31.823 -0.063 0.000 0.672 419 V HN 0.316 nan 8.190 nan 0.000 0.457 420 R N -0.528 119.966 120.500 -0.010 0.000 2.070 420 R HA -0.162 4.179 4.340 0.001 0.000 0.232 420 R C 2.297 178.508 176.300 -0.150 0.000 1.138 420 R CA 1.685 57.767 56.100 -0.030 0.000 0.936 420 R CB -0.822 29.481 30.300 0.005 0.000 0.839 420 R HN 0.339 nan 8.270 nan 0.000 0.429 421 L N 1.212 122.403 121.223 -0.054 0.000 2.010 421 L HA -0.293 4.047 4.340 0.001 0.000 0.219 421 L C 2.282 179.096 176.870 -0.094 0.000 1.077 421 L CA 2.252 57.057 54.840 -0.058 0.000 0.773 421 L CB -1.044 41.107 42.059 0.152 0.000 0.892 421 L HN 0.251 nan 8.230 nan 0.000 0.436 422 A N -0.368 122.421 122.820 -0.052 0.000 1.869 422 A HA -0.260 4.061 4.320 0.001 0.000 0.218 422 A C 2.194 179.780 177.584 0.003 0.000 1.203 422 A CA 2.371 54.388 52.037 -0.034 0.000 0.638 422 A CB -0.910 18.063 19.000 -0.045 0.000 0.831 422 A HN 0.484 nan 8.150 nan 0.000 0.450 423 I N 0.174 120.758 120.570 0.024 0.000 2.208 423 I HA -0.247 3.924 4.170 0.001 0.000 0.245 423 I C 2.473 178.660 176.117 0.118 0.000 1.097 423 I CA 1.255 62.648 61.300 0.153 0.000 1.363 423 I CB -1.241 36.914 38.000 0.258 0.000 1.051 423 I HN 0.351 nan 8.210 nan 0.000 0.413 424 I N 0.602 121.035 120.570 -0.228 0.000 2.264 424 I HA -0.285 3.886 4.170 0.001 0.000 0.248 424 I C 2.231 178.304 176.117 -0.074 0.000 1.111 424 I CA 1.416 62.461 61.300 -0.426 0.000 1.382 424 I CB -0.413 37.127 38.000 -0.767 0.000 1.060 424 I HN 0.334 nan 8.210 nan 0.000 0.418 425 E N -0.346 119.838 120.200 -0.025 0.000 2.358 425 E HA -0.199 4.152 4.350 0.001 0.000 0.195 425 E C 1.817 178.492 176.600 0.126 0.000 1.010 425 E CA 0.681 57.100 56.400 0.031 0.000 0.856 425 E CB -0.039 29.670 29.700 0.015 0.000 0.795 425 E HN 0.497 nan 8.360 nan 0.000 0.504 426 Y N 1.072 121.375 120.300 0.005 0.000 2.420 426 Y HA -0.042 4.508 4.550 0.001 0.000 0.292 426 Y C 2.114 178.042 175.900 0.047 0.000 1.119 426 Y CA 0.581 58.693 58.100 0.019 0.000 1.229 426 Y CB -0.059 38.418 38.460 0.028 0.000 1.026 426 Y HN -0.067 nan 8.280 nan 0.000 0.554 427 M N 1.594 121.250 119.600 0.093 0.000 2.151 427 M HA -0.199 4.282 4.480 0.001 0.000 0.256 427 M C -0.811 175.443 176.300 -0.076 0.000 1.072 427 M CA 2.478 57.806 55.300 0.047 0.000 1.090 427 M CB -1.602 31.179 32.600 0.301 0.000 1.294 427 M HN 0.087 nan 8.290 nan 0.000 0.415 428 P HA -0.229 nan 4.420 nan 0.000 0.216 428 P C 2.018 179.162 177.300 -0.260 0.000 1.154 428 P CA 1.692 64.675 63.100 -0.195 0.000 0.865 428 P CB -0.415 31.202 31.700 -0.138 0.000 0.789 429 L N -0.770 120.334 121.223 -0.199 0.000 2.005 429 L HA -0.115 4.226 4.340 0.001 0.000 0.207 429 L C 2.757 179.461 176.870 -0.276 0.000 1.072 429 L CA 1.353 56.077 54.840 -0.194 0.000 0.744 429 L CB -0.954 41.059 42.059 -0.075 0.000 0.895 429 L HN -0.092 nan 8.230 nan 0.000 0.433 430 L N -0.120 120.817 121.223 -0.475 0.000 2.043 430 L HA -0.259 4.082 4.340 0.001 0.000 0.212 430 L C 2.634 179.359 176.870 -0.242 0.000 1.075 430 L CA 1.641 56.178 54.840 -0.503 0.000 0.752 430 L CB -0.341 41.223 42.059 -0.825 0.000 0.891 430 L HN 0.385 nan 8.230 nan 0.000 0.432 431 A N -0.230 122.487 122.820 -0.172 0.000 1.858 431 A HA -0.134 4.187 4.320 0.001 0.000 0.216 431 A C 2.325 179.862 177.584 -0.080 0.000 1.190 431 A CA 1.581 53.608 52.037 -0.018 0.000 0.617 431 A CB -1.532 17.334 19.000 -0.224 0.000 0.827 431 A HN 0.533 nan 8.150 nan 0.000 0.443 432 G N -0.580 108.046 108.800 -0.290 0.000 2.529 432 G HA2 -0.325 3.636 3.960 0.001 0.000 0.219 432 G HA3 -0.325 3.636 3.960 0.001 0.000 0.219 432 G C 1.611 176.458 174.900 -0.088 0.000 1.177 432 G CA 1.208 46.168 45.100 -0.233 0.000 0.773 432 G HN 0.670 nan 8.290 nan 0.000 0.573 433 Q N -0.263 119.474 119.800 -0.105 0.000 2.084 433 Q HA 0.081 4.422 4.340 0.001 0.000 0.202 433 Q C 2.655 178.618 176.000 -0.061 0.000 0.978 433 Q CA 0.858 56.617 55.803 -0.073 0.000 0.844 433 Q CB -0.271 28.416 28.738 -0.084 0.000 0.898 433 Q HN 0.420 nan 8.270 nan 0.000 0.426 434 L N -0.120 121.048 121.223 -0.092 0.000 2.376 434 L HA 0.010 4.351 4.340 0.001 0.000 0.219 434 L C 0.851 177.726 176.870 0.009 0.000 1.133 434 L CA 0.453 55.209 54.840 -0.141 0.000 0.816 434 L CB -0.580 41.268 42.059 -0.351 0.000 0.933 434 L HN 0.379 nan 8.230 nan 0.000 0.449 435 G N -0.893 107.959 108.800 0.087 0.000 2.733 435 G HA2 -0.229 3.732 3.960 0.001 0.000 0.686 435 G HA3 -0.229 3.732 3.960 0.001 0.000 0.686 435 G C 0.245 175.202 174.900 0.095 0.000 1.373 435 G CA -0.278 44.893 45.100 0.118 0.000 0.838 435 G HN -0.113 nan 8.290 nan 0.000 0.588 436 V N 1.288 121.110 119.914 -0.154 0.000 2.237 436 V HA -0.136 3.985 4.120 0.001 0.000 0.245 436 V C 2.960 178.958 176.094 -0.161 0.000 1.046 436 V CA 3.156 65.084 62.300 -0.620 0.000 1.007 436 V CB -0.475 30.816 31.823 -0.886 0.000 0.638 436 V HN 1.177 nan 8.190 nan 0.000 0.445 437 E N -0.089 120.076 120.200 -0.058 0.000 2.208 437 E HA -0.328 4.023 4.350 0.001 0.000 0.202 437 E C 1.976 178.629 176.600 0.088 0.000 1.014 437 E CA 2.400 58.812 56.400 0.019 0.000 0.819 437 E CB -1.159 28.552 29.700 0.019 0.000 0.735 437 E HN 0.672 nan 8.360 nan 0.000 0.469 438 F N 0.541 120.490 119.950 -0.002 0.000 2.179 438 F HA 0.096 4.623 4.527 0.001 0.000 0.292 438 F C 2.150 177.961 175.800 0.018 0.000 1.089 438 F CA 0.182 58.190 58.000 0.013 0.000 1.295 438 F CB -0.716 38.305 39.000 0.034 0.000 1.041 438 F HN -0.018 nan 8.300 nan 0.000 0.487 439 F N 1.907 122.038 119.950 0.301 0.000 2.043 439 F HA -0.325 4.203 4.527 0.001 0.000 0.297 439 F C 2.327 178.220 175.800 0.155 0.000 1.118 439 F CA 2.494 60.609 58.000 0.193 0.000 1.202 439 F CB -0.819 38.199 39.000 0.030 0.000 0.965 439 F HN -0.002 nan 8.300 nan 0.000 0.482 440 D N 0.032 120.546 120.400 0.190 0.000 2.239 440 D HA -0.226 4.415 4.640 0.001 0.000 0.202 440 D C 1.975 178.257 176.300 -0.029 0.000 0.993 440 D CA 1.459 55.531 54.000 0.119 0.000 0.874 440 D CB -0.351 40.544 40.800 0.159 0.000 0.922 440 D HN 0.603 nan 8.370 nan 0.000 0.464 441 E N 0.399 120.561 120.200 -0.063 0.000 2.002 441 E HA -0.081 4.270 4.350 0.001 0.000 0.196 441 E C 1.277 177.796 176.600 -0.135 0.000 0.974 441 E CA 0.498 56.825 56.400 -0.122 0.000 0.853 441 E CB 0.343 29.915 29.700 -0.215 0.000 0.808 441 E HN -0.182 nan 8.360 nan 0.000 0.492 442 K N 0.178 120.505 120.400 -0.122 0.000 2.387 442 K HA 0.083 4.404 4.320 0.001 0.000 0.198 442 K C 1.366 177.868 176.600 -0.163 0.000 1.022 442 K CA 0.017 56.239 56.287 -0.109 0.000 1.128 442 K CB 0.497 32.965 32.500 -0.053 0.000 0.853 442 K HN 0.173 nan 8.250 nan 0.000 0.523 443 L N 0.344 121.383 121.223 -0.307 0.000 2.316 443 L HA 0.079 4.419 4.340 0.001 0.000 0.207 443 L C 1.911 178.317 176.870 -0.773 0.000 1.070 443 L CA 1.023 55.530 54.840 -0.555 0.000 0.820 443 L CB -0.729 40.886 42.059 -0.740 0.000 0.992 443 L HN 0.160 nan 8.230 nan 0.000 0.466 444 N N -0.136 118.067 118.700 -0.829 0.000 2.005 444 N HA -0.271 4.470 4.740 0.001 0.000 0.199 444 N C 1.999 177.398 175.510 -0.187 0.000 1.054 444 N CA 2.540 55.376 53.050 -0.357 0.000 0.864 444 N CB -0.204 38.231 38.487 -0.087 0.000 1.063 444 N HN 0.352 nan 8.380 nan 0.000 0.428 445 S N 0.182 115.771 115.700 -0.184 0.000 2.372 445 S HA -0.245 4.225 4.470 0.001 0.000 0.227 445 S C 2.055 176.515 174.600 -0.234 0.000 1.044 445 S CA 1.479 59.582 58.200 -0.162 0.000 1.050 445 S CB -1.085 62.031 63.200 -0.140 0.000 0.901 445 S HN 0.378 nan 8.310 nan 0.000 0.447 446 L N 1.453 122.489 121.223 -0.311 0.000 2.043 446 L HA -0.086 4.254 4.340 0.001 0.000 0.212 446 L C 2.532 178.922 176.870 -0.800 0.000 1.075 446 L CA 1.616 56.162 54.840 -0.489 0.000 0.752 446 L CB -0.896 40.900 42.059 -0.439 0.000 0.891 446 L HN 0.527 nan 8.230 nan 0.000 0.432 447 C N -1.017 117.967 119.300 -0.527 0.000 2.456 447 C HA -0.052 4.409 4.460 0.001 0.000 0.279 447 C C 2.618 177.568 174.990 -0.068 0.000 1.427 447 C CA 0.390 59.215 59.018 -0.321 0.000 1.778 447 C CB -0.879 26.976 27.740 0.191 0.000 1.842 447 C HN 0.532 nan 8.230 nan 0.000 0.531 448 M N 0.540 120.071 119.600 -0.115 0.000 2.357 448 M HA 0.031 4.511 4.480 0.001 0.000 0.266 448 M C 2.626 178.896 176.300 -0.049 0.000 1.095 448 M CA 1.346 56.624 55.300 -0.036 0.000 1.156 448 M CB -1.144 31.426 32.600 -0.049 0.000 1.365 448 M HN 0.367 nan 8.290 nan 0.000 0.447 449 A N 0.570 123.310 122.820 -0.134 0.000 1.892 449 A HA -0.207 4.114 4.320 0.001 0.000 0.218 449 A C 1.756 179.370 177.584 0.050 0.000 1.188 449 A CA 1.510 53.494 52.037 -0.088 0.000 0.631 449 A CB -1.223 17.685 19.000 -0.154 0.000 0.822 449 A HN 0.616 nan 8.150 nan 0.000 0.447 450 W N -0.814 120.489 121.300 0.005 0.000 2.336 450 W HA -0.136 4.525 4.660 0.001 0.000 0.277 450 W C 1.505 178.003 176.519 -0.037 0.000 1.211 450 W CA 0.742 58.092 57.345 0.008 0.000 1.187 450 W CB -1.040 28.440 29.460 0.033 0.000 1.132 450 W HN 0.235 nan 8.180 nan 0.000 0.562 451 L N -0.413 120.902 121.223 0.154 0.000 2.633 451 L HA -0.080 4.261 4.340 0.001 0.000 0.235 451 L C 1.470 178.261 176.870 -0.133 0.000 1.163 451 L CA 1.145 55.993 54.840 0.013 0.000 0.859 451 L CB -0.961 41.087 42.059 -0.019 0.000 0.973 451 L HN -0.235 nan 8.230 nan 0.000 0.451 452 V N -1.870 117.967 119.914 -0.127 0.000 3.253 452 V HA 0.141 4.261 4.120 0.001 0.000 0.320 452 V C 0.110 176.152 176.094 -0.087 0.000 1.442 452 V CA -0.618 61.504 62.300 -0.296 0.000 1.097 452 V CB 0.530 32.134 31.823 -0.365 0.000 1.008 452 V HN 0.202 nan 8.190 nan 0.000 0.463 453 D N 0.123 120.556 120.400 0.055 0.000 2.458 453 D HA 0.019 4.660 4.640 0.001 0.000 0.243 453 D C 1.318 177.701 176.300 0.139 0.000 1.146 453 D CA 0.335 54.440 54.000 0.175 0.000 0.877 453 D CB 0.786 41.704 40.800 0.196 0.000 1.176 453 D HN 0.348 nan 8.370 nan 0.000 0.461 454 H N 1.289 120.417 119.070 0.097 0.000 2.496 454 H HA -0.056 4.501 4.556 0.001 0.000 0.296 454 H C 0.680 176.052 175.328 0.074 0.000 1.107 454 H CA 0.875 56.978 56.048 0.091 0.000 1.263 454 H CB -0.220 29.596 29.762 0.089 0.000 1.369 454 H HN 0.131 nan 8.280 nan 0.000 0.541 455 V N 0.614 120.632 119.914 0.173 0.000 2.370 455 V HA 0.097 4.217 4.120 0.001 0.000 0.279 455 V C 1.027 177.145 176.094 0.040 0.000 1.029 455 V CA -0.816 61.529 62.300 0.076 0.000 0.870 455 V CB 0.523 32.342 31.823 -0.008 0.000 0.984 455 V HN 0.346 nan 8.190 nan 0.000 0.451 456 Y N 6.866 127.122 120.300 -0.072 0.000 1.911 456 Y HA -0.351 4.200 4.550 0.002 0.000 0.244 456 Y C 2.298 178.130 175.900 -0.113 0.000 1.139 456 Y CA 3.668 61.725 58.100 -0.072 0.000 1.070 456 Y CB -0.710 37.706 38.460 -0.074 0.000 0.919 456 Y HN 0.804 nan 8.280 nan 0.000 0.497 457 A N 0.918 123.716 122.820 -0.037 0.000 1.923 457 A HA -0.343 3.978 4.320 0.001 0.000 0.222 457 A C 2.248 179.679 177.584 -0.255 0.000 1.258 457 A CA 2.705 54.608 52.037 -0.222 0.000 0.670 457 A CB -1.384 17.404 19.000 -0.352 0.000 0.834 457 A HN 0.661 nan 8.150 nan 0.000 0.470 458 I N -0.869 119.587 120.570 -0.188 0.000 2.127 458 I HA -0.241 3.930 4.170 0.001 0.000 0.241 458 I C 2.692 178.723 176.117 -0.144 0.000 1.075 458 I CA 1.906 63.126 61.300 -0.134 0.000 1.334 458 I CB -1.220 36.752 38.000 -0.047 0.000 1.040 458 I HN 0.414 nan 8.210 nan 0.000 0.405 459 R N 0.267 120.692 120.500 -0.125 0.000 2.096 459 R HA -0.249 4.092 4.340 0.001 0.000 0.240 459 R C 2.179 178.382 176.300 -0.161 0.000 1.139 459 R CA 1.711 57.750 56.100 -0.102 0.000 0.952 459 R CB -0.365 29.874 30.300 -0.100 0.000 0.854 459 R HN 0.294 nan 8.270 nan 0.000 0.436 460 E N 0.673 120.672 120.200 -0.336 0.000 2.049 460 E HA -0.191 4.160 4.350 0.001 0.000 0.198 460 E C 1.762 178.245 176.600 -0.195 0.000 1.007 460 E CA 1.949 58.132 56.400 -0.362 0.000 0.809 460 E CB -0.219 29.119 29.700 -0.603 0.000 0.749 460 E HN 0.369 nan 8.360 nan 0.000 0.450 461 A N 0.071 122.788 122.820 -0.172 0.000 2.066 461 A HA 0.098 4.418 4.320 0.001 0.000 0.218 461 A C 2.258 179.800 177.584 -0.071 0.000 1.157 461 A CA 1.557 53.526 52.037 -0.114 0.000 0.670 461 A CB -0.630 18.297 19.000 -0.123 0.000 0.804 461 A HN 0.352 nan 8.150 nan 0.000 0.453 462 A N -0.312 122.475 122.820 -0.054 0.000 1.841 462 A HA -0.072 4.249 4.320 0.001 0.000 0.214 462 A C 2.324 179.961 177.584 0.089 0.000 1.195 462 A CA 2.280 54.359 52.037 0.071 0.000 0.611 462 A CB -1.417 17.657 19.000 0.124 0.000 0.835 462 A HN 0.426 nan 8.150 nan 0.000 0.443 463 T N -0.114 114.461 114.554 0.034 0.000 2.597 463 T HA -0.233 4.118 4.350 0.001 0.000 0.267 463 T C 2.228 176.951 174.700 0.038 0.000 1.053 463 T CA 2.082 64.204 62.100 0.038 0.000 1.165 463 T CB -0.766 68.111 68.868 0.014 0.000 0.863 463 T HN 0.528 nan 8.240 nan 0.000 0.427 464 S N 1.337 117.039 115.700 0.003 0.000 2.372 464 S HA -0.283 4.188 4.470 0.001 0.000 0.227 464 S C 2.117 176.735 174.600 0.030 0.000 1.044 464 S CA 1.920 60.122 58.200 0.002 0.000 1.050 464 S CB -0.889 62.296 63.200 -0.025 0.000 0.901 464 S HN 0.585 nan 8.310 nan 0.000 0.447 465 N N 0.442 119.173 118.700 0.051 0.000 2.091 465 N HA -0.155 4.585 4.740 0.001 0.000 0.193 465 N C 1.863 177.437 175.510 0.106 0.000 1.021 465 N CA 1.727 54.828 53.050 0.086 0.000 0.862 465 N CB -0.314 38.274 38.487 0.167 0.000 1.018 465 N HN 0.465 nan 8.380 nan 0.000 0.429 466 L N 1.304 122.606 121.223 0.132 0.000 1.956 466 L HA -0.253 4.088 4.340 0.001 0.000 0.216 466 L C 2.730 179.674 176.870 0.124 0.000 1.073 466 L CA 1.692 56.626 54.840 0.156 0.000 0.762 466 L CB -0.793 41.339 42.059 0.122 0.000 0.889 466 L HN 0.264 nan 8.230 nan 0.000 0.433 467 K N 0.167 120.613 120.400 0.078 0.000 2.052 467 K HA -0.281 4.040 4.320 0.001 0.000 0.215 467 K C 2.300 178.920 176.600 0.033 0.000 1.053 467 K CA 1.813 58.134 56.287 0.056 0.000 0.934 467 K CB -0.024 32.493 32.500 0.029 0.000 0.717 467 K HN 0.105 nan 8.250 nan 0.000 0.450 468 K N 0.826 121.230 120.400 0.006 0.000 2.001 468 K HA -0.164 4.157 4.320 0.001 0.000 0.214 468 K C 2.277 178.810 176.600 -0.111 0.000 1.050 468 K CA 1.531 57.787 56.287 -0.051 0.000 0.934 468 K CB -0.675 31.793 32.500 -0.053 0.000 0.718 468 K HN 0.299 nan 8.250 nan 0.000 0.443 469 L N 0.929 122.105 121.223 -0.079 0.000 2.051 469 L HA -0.248 4.093 4.340 0.001 0.000 0.214 469 L C 2.447 179.253 176.870 -0.106 0.000 1.076 469 L CA 1.121 55.845 54.840 -0.193 0.000 0.758 469 L CB -0.532 41.580 42.059 0.088 0.000 0.890 469 L HN -0.033 nan 8.230 nan 0.000 0.433 470 V N -0.356 119.662 119.914 0.173 0.000 2.237 470 V HA -0.283 3.837 4.120 0.001 0.000 0.245 470 V C 2.294 178.426 176.094 0.063 0.000 1.046 470 V CA 1.948 64.407 62.300 0.265 0.000 1.007 470 V CB -0.664 31.293 31.823 0.224 0.000 0.638 470 V HN 0.469 nan 8.190 nan 0.000 0.445 471 E N 0.098 120.295 120.200 -0.005 0.000 2.169 471 E HA -0.361 3.990 4.350 0.001 0.000 0.202 471 E C 2.156 178.686 176.600 -0.117 0.000 1.016 471 E CA 1.959 58.331 56.400 -0.047 0.000 0.817 471 E CB -0.190 29.474 29.700 -0.060 0.000 0.736 471 E HN 0.494 nan 8.360 nan 0.000 0.462 472 K N -0.608 119.635 120.400 -0.262 0.000 2.262 472 K HA 0.000 4.321 4.320 0.001 0.000 0.200 472 K C 1.372 177.747 176.600 -0.375 0.000 1.049 472 K CA 0.534 56.581 56.287 -0.400 0.000 0.979 472 K CB 0.229 32.330 32.500 -0.665 0.000 0.773 472 K HN -0.030 nan 8.250 nan 0.000 0.474 473 F N -0.186 119.560 119.950 -0.340 0.000 2.505 473 F HA 0.392 4.920 4.527 0.001 0.000 0.289 473 F C 0.710 176.428 175.800 -0.137 0.000 1.101 473 F CA 0.374 58.100 58.000 -0.456 0.000 1.446 473 F CB 0.564 38.809 39.000 -1.258 0.000 1.123 473 F HN 0.055 nan 8.300 nan 0.000 0.564 474 G N 1.130 110.066 108.800 0.226 0.000 3.367 474 G HA2 -0.143 3.818 3.960 0.001 0.000 0.686 474 G HA3 -0.143 3.818 3.960 0.001 0.000 0.686 474 G C 0.681 175.772 174.900 0.319 0.000 1.146 474 G CA -0.266 44.970 45.100 0.226 0.000 0.913 474 G HN 0.345 nan 8.290 nan 0.000 0.554 475 K N 0.742 121.273 120.400 0.218 0.000 2.304 475 K HA -0.236 4.085 4.320 0.001 0.000 0.204 475 K C 1.662 178.363 176.600 0.170 0.000 1.044 475 K CA 2.203 58.600 56.287 0.183 0.000 0.932 475 K CB -0.024 32.547 32.500 0.118 0.000 0.735 475 K HN 0.530 nan 8.250 nan 0.000 0.468 476 E N 1.094 121.393 120.200 0.166 0.000 2.028 476 E HA -0.217 4.134 4.350 0.001 0.000 0.191 476 E C 1.813 178.527 176.600 0.190 0.000 0.988 476 E CA 1.429 57.904 56.400 0.124 0.000 0.799 476 E CB -0.873 28.887 29.700 0.100 0.000 0.755 476 E HN 0.647 nan 8.360 nan 0.000 0.447 477 W N 2.443 123.781 121.300 0.063 0.000 2.325 477 W HA -0.172 4.489 4.660 0.002 0.000 0.299 477 W C 2.428 178.989 176.519 0.070 0.000 1.215 477 W CA 2.533 59.910 57.345 0.053 0.000 1.244 477 W CB -0.307 29.174 29.460 0.034 0.000 1.140 477 W HN 0.105 nan 8.180 nan 0.000 0.523 478 A N -0.436 122.380 122.820 -0.007 0.000 1.933 478 A HA -0.303 4.018 4.320 0.001 0.000 0.218 478 A C 2.149 179.588 177.584 -0.242 0.000 1.175 478 A CA 1.898 53.782 52.037 -0.255 0.000 0.628 478 A CB -1.550 17.470 19.000 0.033 0.000 0.814 478 A HN 0.654 nan 8.150 nan 0.000 0.444 479 H N -0.066 118.897 119.070 -0.179 0.000 2.387 479 H HA 0.052 4.609 4.556 0.001 0.000 0.299 479 H C 1.774 176.957 175.328 -0.240 0.000 1.090 479 H CA 1.649 57.582 56.048 -0.192 0.000 1.332 479 H CB -0.035 29.671 29.762 -0.094 0.000 1.386 479 H HN 0.388 nan 8.280 nan 0.000 0.516 480 A N -0.815 121.926 122.820 -0.131 0.000 2.308 480 A HA 0.184 4.505 4.320 0.001 0.000 0.217 480 A C 1.697 179.122 177.584 -0.265 0.000 1.216 480 A CA 0.555 52.492 52.037 -0.167 0.000 0.864 480 A CB 0.166 19.171 19.000 0.008 0.000 0.902 480 A HN 0.448 nan 8.150 nan 0.000 0.499 481 T N -1.225 113.077 114.554 -0.420 0.000 3.449 481 T HA 0.182 4.533 4.350 0.001 0.000 0.268 481 T C 1.440 175.903 174.700 -0.396 0.000 0.996 481 T CA 0.446 62.288 62.100 -0.430 0.000 1.125 481 T CB -0.060 68.435 68.868 -0.621 0.000 1.172 481 T HN 0.110 nan 8.240 nan 0.000 0.430 482 I N 2.334 122.589 120.570 -0.525 0.000 2.201 482 I HA 0.031 4.202 4.170 0.001 0.000 0.233 482 I C 2.441 178.410 176.117 -0.246 0.000 1.067 482 I CA 0.794 61.891 61.300 -0.337 0.000 1.354 482 I CB -1.333 36.454 38.000 -0.355 0.000 1.108 482 I HN 0.193 nan 8.210 nan 0.000 0.411 483 I N 1.254 121.671 120.570 -0.254 0.000 2.242 483 I HA -0.315 3.855 4.170 0.001 0.000 0.242 483 I C -0.036 175.947 176.117 -0.224 0.000 0.998 483 I CA 2.604 63.770 61.300 -0.224 0.000 1.283 483 I CB -2.649 35.171 38.000 -0.299 0.000 0.985 483 I HN 0.198 nan 8.210 nan 0.000 0.415 484 P HA -0.146 nan 4.420 nan 0.000 0.210 484 P C 1.636 178.851 177.300 -0.141 0.000 1.191 484 P CA 1.495 64.466 63.100 -0.214 0.000 0.917 484 P CB -0.151 31.411 31.700 -0.230 0.000 0.778 485 K N -0.475 119.844 120.400 -0.135 0.000 2.228 485 K HA -0.130 4.191 4.320 0.001 0.000 0.205 485 K C 1.923 178.474 176.600 -0.081 0.000 1.045 485 K CA 1.108 57.336 56.287 -0.098 0.000 0.931 485 K CB -0.901 31.542 32.500 -0.094 0.000 0.727 485 K HN 0.025 nan 8.250 nan 0.000 0.458 486 V N 1.532 121.394 119.914 -0.088 0.000 2.323 486 V HA -0.209 3.912 4.120 0.001 0.000 0.244 486 V C 2.134 178.193 176.094 -0.057 0.000 1.041 486 V CA 1.493 63.753 62.300 -0.066 0.000 1.025 486 V CB -0.278 31.508 31.823 -0.061 0.000 0.656 486 V HN 0.273 nan 8.190 nan 0.000 0.451 487 L N 0.181 121.369 121.223 -0.059 0.000 2.141 487 L HA -0.100 4.241 4.340 0.001 0.000 0.209 487 L C 2.668 179.515 176.870 -0.038 0.000 1.094 487 L CA 1.333 56.148 54.840 -0.041 0.000 0.763 487 L CB -0.867 41.173 42.059 -0.030 0.000 0.908 487 L HN 0.356 nan 8.230 nan 0.000 0.437 488 A N -0.332 122.461 122.820 -0.045 0.000 2.076 488 A HA -0.251 4.070 4.320 0.001 0.000 0.220 488 A C 2.322 179.889 177.584 -0.029 0.000 1.160 488 A CA 1.665 53.681 52.037 -0.036 0.000 0.653 488 A CB -0.503 18.471 19.000 -0.043 0.000 0.801 488 A HN 0.425 nan 8.150 nan 0.000 0.455 489 M N 0.176 119.755 119.600 -0.034 0.000 2.319 489 M HA -0.096 4.385 4.480 0.001 0.000 0.265 489 M C 2.032 178.320 176.300 -0.020 0.000 1.068 489 M CA 1.448 56.733 55.300 -0.025 0.000 1.118 489 M CB -0.082 32.491 32.600 -0.044 0.000 1.395 489 M HN 0.569 nan 8.290 nan 0.000 0.435 490 S N -0.892 114.789 115.700 -0.032 0.000 2.653 490 S HA 0.015 4.486 4.470 0.001 0.000 0.233 490 S C 1.279 175.865 174.600 -0.023 0.000 0.970 490 S CA 0.713 58.892 58.200 -0.036 0.000 0.947 490 S CB -0.625 62.553 63.200 -0.037 0.000 0.771 490 S HN 0.555 nan 8.310 nan 0.000 0.538 491 G N -0.232 108.559 108.800 -0.015 0.000 3.228 491 G HA2 0.226 4.187 3.960 0.001 0.000 0.245 491 G HA3 0.226 4.187 3.960 0.001 0.000 0.245 491 G C -0.241 174.657 174.900 -0.005 0.000 1.051 491 G CA -0.450 44.644 45.100 -0.010 0.000 0.809 491 G HN 0.483 nan 8.290 nan 0.000 0.531 492 D N 0.979 121.381 120.400 0.004 0.000 2.423 492 D HA 0.186 4.826 4.640 0.001 0.000 0.238 492 D C -0.648 175.643 176.300 -0.015 0.000 1.142 492 D CA -1.255 52.751 54.000 0.009 0.000 0.884 492 D CB 1.939 42.772 40.800 0.056 0.000 1.199 492 D HN 0.013 nan 8.370 nan 0.000 0.438 493 P HA -0.057 nan 4.420 nan 0.000 0.236 493 P C -0.269 177.013 177.300 -0.029 0.000 1.177 493 P CA 0.259 63.346 63.100 -0.023 0.000 0.773 493 P CB 0.155 31.843 31.700 -0.020 0.000 0.878 494 N N 0.909 119.544 118.700 -0.109 0.000 2.469 494 N HA -0.039 4.702 4.740 0.001 0.000 0.239 494 N C 1.205 176.638 175.510 -0.129 0.000 1.053 494 N CA -0.763 52.194 53.050 -0.156 0.000 0.937 494 N CB 0.038 38.251 38.487 -0.456 0.000 1.163 494 N HN -0.025 nan 8.380 nan 0.000 0.509 495 Y N 3.502 123.724 120.300 -0.130 0.000 2.172 495 Y HA -0.303 4.248 4.550 0.001 0.000 0.280 495 Y C 1.339 177.171 175.900 -0.114 0.000 1.209 495 Y CA 1.372 59.407 58.100 -0.108 0.000 1.171 495 Y CB -0.880 37.529 38.460 -0.085 0.000 0.965 495 Y HN 0.466 nan 8.280 nan 0.000 0.520 496 L N -0.404 120.290 121.223 -0.883 0.000 2.043 496 L HA -0.288 4.053 4.340 0.001 0.000 0.212 496 L C 2.629 179.381 176.870 -0.196 0.000 1.075 496 L CA 1.935 56.385 54.840 -0.651 0.000 0.752 496 L CB -0.744 40.995 42.059 -0.534 0.000 0.891 496 L HN 0.338 nan 8.230 nan 0.000 0.432 497 H N -0.920 117.995 119.070 -0.257 0.000 2.395 497 H HA -0.058 4.499 4.556 0.001 0.000 0.299 497 H C 2.416 177.626 175.328 -0.197 0.000 1.070 497 H CA 0.964 56.900 56.048 -0.188 0.000 1.356 497 H CB -0.179 29.506 29.762 -0.128 0.000 1.401 497 H HN 0.158 nan 8.280 nan 0.000 0.524 498 R N -0.179 120.286 120.500 -0.059 0.000 2.096 498 R HA -0.079 4.262 4.340 0.001 0.000 0.235 498 R C 2.421 178.583 176.300 -0.230 0.000 1.127 498 R CA 1.272 57.309 56.100 -0.106 0.000 0.968 498 R CB -0.131 30.126 30.300 -0.072 0.000 0.861 498 R HN 0.259 nan 8.270 nan 0.000 0.440 499 M N -0.698 118.701 119.600 -0.336 0.000 2.080 499 M HA -0.187 4.294 4.480 0.001 0.000 0.260 499 M C 2.035 177.799 176.300 -0.893 0.000 1.068 499 M CA 1.888 56.795 55.300 -0.656 0.000 1.109 499 M CB -0.405 31.781 32.600 -0.689 0.000 1.342 499 M HN 0.151 nan 8.290 nan 0.000 0.405 500 T N 0.417 114.647 114.554 -0.540 0.000 2.778 500 T HA -0.153 4.198 4.350 0.001 0.000 0.269 500 T C 1.641 176.220 174.700 -0.202 0.000 1.050 500 T CA 1.932 63.847 62.100 -0.309 0.000 1.137 500 T CB -0.524 68.263 68.868 -0.134 0.000 0.860 500 T HN 0.488 nan 8.240 nan 0.000 0.468 501 T N 2.406 116.840 114.554 -0.200 0.000 2.708 501 T HA 0.002 4.353 4.350 0.001 0.000 0.266 501 T C 1.983 176.627 174.700 -0.093 0.000 1.037 501 T CA 0.948 62.979 62.100 -0.115 0.000 1.146 501 T CB -0.465 68.344 68.868 -0.099 0.000 0.865 501 T HN 0.297 nan 8.240 nan 0.000 0.435 502 L N -0.199 120.924 121.223 -0.167 0.000 2.005 502 L HA 0.017 4.358 4.340 0.001 0.000 0.207 502 L C 2.476 179.404 176.870 0.097 0.000 1.072 502 L CA 1.512 56.309 54.840 -0.071 0.000 0.744 502 L CB -0.746 41.231 42.059 -0.136 0.000 0.895 502 L HN 0.265 nan 8.230 nan 0.000 0.433 503 F N -0.810 119.105 119.950 -0.057 0.000 2.192 503 F HA -0.328 4.200 4.527 0.001 0.000 0.301 503 F C 2.753 178.528 175.800 -0.041 0.000 1.079 503 F CA 0.534 58.502 58.000 -0.052 0.000 1.303 503 F CB -0.573 38.390 39.000 -0.062 0.000 1.024 503 F HN 0.273 nan 8.300 nan 0.000 0.494 504 C N 0.632 120.017 119.300 0.141 0.000 2.473 504 C HA -0.144 4.317 4.460 0.001 0.000 0.279 504 C C 2.684 177.710 174.990 0.059 0.000 1.250 504 C CA 0.606 59.668 59.018 0.074 0.000 1.713 504 C CB -0.958 26.799 27.740 0.028 0.000 2.066 504 C HN 0.377 nan 8.230 nan 0.000 0.474 505 I N 1.389 121.986 120.570 0.045 0.000 2.113 505 I HA -0.339 3.832 4.170 0.001 0.000 0.242 505 I C 2.171 178.318 176.117 0.050 0.000 1.064 505 I CA 2.104 63.427 61.300 0.039 0.000 1.320 505 I CB -0.885 37.133 38.000 0.030 0.000 1.028 505 I HN 0.523 nan 8.210 nan 0.000 0.406 506 N N -0.092 118.650 118.700 0.070 0.000 2.182 506 N HA -0.209 4.531 4.740 0.001 0.000 0.192 506 N C 1.664 177.197 175.510 0.038 0.000 1.007 506 N CA 1.419 54.505 53.050 0.060 0.000 0.873 506 N CB -0.016 38.518 38.487 0.077 0.000 0.998 506 N HN 0.205 nan 8.380 nan 0.000 0.436 507 V N 0.556 120.494 119.914 0.039 0.000 2.581 507 V HA -0.034 4.086 4.120 0.001 0.000 0.240 507 V C 2.041 178.156 176.094 0.034 0.000 1.054 507 V CA 0.517 62.833 62.300 0.028 0.000 1.076 507 V CB -0.173 31.663 31.823 0.022 0.000 0.748 507 V HN 0.235 nan 8.190 nan 0.000 0.474 508 L N 1.318 122.565 121.223 0.039 0.000 2.043 508 L HA -0.203 4.138 4.340 0.001 0.000 0.212 508 L C 2.849 179.745 176.870 0.043 0.000 1.075 508 L CA 2.648 57.513 54.840 0.042 0.000 0.752 508 L CB -1.717 40.361 42.059 0.032 0.000 0.891 508 L HN 0.649 nan 8.230 nan 0.000 0.432 509 S N 0.194 115.918 115.700 0.040 0.000 2.369 509 S HA -0.288 4.183 4.470 0.001 0.000 0.225 509 S C 1.655 176.278 174.600 0.038 0.000 1.043 509 S CA 1.660 59.885 58.200 0.041 0.000 1.074 509 S CB -0.771 62.452 63.200 0.038 0.000 0.962 509 S HN 0.536 nan 8.310 nan 0.000 0.433 510 E N 0.680 120.900 120.200 0.033 0.000 2.370 510 E HA -0.161 4.190 4.350 0.001 0.000 0.205 510 E C 1.641 178.260 176.600 0.031 0.000 1.037 510 E CA 1.537 57.954 56.400 0.028 0.000 0.845 510 E CB -0.482 29.231 29.700 0.021 0.000 0.753 510 E HN 0.828 nan 8.360 nan 0.000 0.507 511 V N -5.267 114.670 119.914 0.039 0.000 3.432 511 V HA 0.175 4.296 4.120 0.001 0.000 0.290 511 V C 1.245 177.372 176.094 0.055 0.000 1.591 511 V CA -0.330 61.996 62.300 0.043 0.000 1.069 511 V CB -0.033 31.817 31.823 0.045 0.000 0.892 511 V HN 0.176 nan 8.190 nan 0.000 0.436 512 C N 1.931 121.266 119.300 0.057 0.000 2.563 512 C HA 0.641 5.101 4.460 0.001 0.000 0.268 512 C C 1.624 176.651 174.990 0.062 0.000 1.365 512 C CA 0.712 59.770 59.018 0.067 0.000 1.754 512 C CB -1.174 26.607 27.740 0.069 0.000 1.932 512 C HN 1.314 nan 8.230 nan 0.000 0.536 513 G N 0.417 109.248 108.800 0.051 0.000 2.850 513 G HA2 -0.203 3.758 3.960 0.001 0.000 0.686 513 G HA3 -0.203 3.758 3.960 0.001 0.000 0.686 513 G C 0.288 175.216 174.900 0.046 0.000 1.164 513 G CA 0.266 45.393 45.100 0.044 0.000 0.826 513 G HN 0.426 nan 8.290 nan 0.000 0.586 514 Q N 0.352 120.174 119.800 0.037 0.000 2.028 514 Q HA -0.316 4.025 4.340 0.001 0.000 0.215 514 Q C 2.121 178.146 176.000 0.040 0.000 1.041 514 Q CA 2.839 58.663 55.803 0.035 0.000 0.897 514 Q CB -0.223 28.531 28.738 0.026 0.000 1.017 514 Q HN 0.777 nan 8.270 nan 0.000 0.418 515 D N -0.261 120.161 120.400 0.037 0.000 2.160 515 D HA -0.220 4.421 4.640 0.001 0.000 0.189 515 D C 1.945 178.288 176.300 0.071 0.000 1.003 515 D CA 1.710 55.733 54.000 0.040 0.000 0.846 515 D CB -0.285 40.533 40.800 0.030 0.000 0.949 515 D HN 0.351 nan 8.370 nan 0.000 0.446 516 I N 1.122 121.751 120.570 0.097 0.000 2.226 516 I HA -0.195 3.976 4.170 0.001 0.000 0.245 516 I C 2.351 178.565 176.117 0.161 0.000 1.100 516 I CA 1.143 62.545 61.300 0.170 0.000 1.374 516 I CB -1.212 36.878 38.000 0.150 0.000 1.057 516 I HN 0.011 nan 8.210 nan 0.000 0.413 517 T N 0.142 114.756 114.554 0.099 0.000 2.857 517 T HA -0.101 4.249 4.350 0.001 0.000 0.266 517 T C 1.875 176.613 174.700 0.064 0.000 1.048 517 T CA 1.725 63.873 62.100 0.079 0.000 1.139 517 T CB -0.331 68.571 68.868 0.056 0.000 0.874 517 T HN 0.327 nan 8.240 nan 0.000 0.455 518 T N 1.434 116.016 114.554 0.046 0.000 2.896 518 T HA 0.009 4.360 4.350 0.001 0.000 0.263 518 T C 1.837 176.531 174.700 -0.011 0.000 1.050 518 T CA 0.936 63.047 62.100 0.019 0.000 1.140 518 T CB -0.070 68.806 68.868 0.013 0.000 0.877 518 T HN 0.369 nan 8.240 nan 0.000 0.457 519 K N -0.260 120.123 120.400 -0.029 0.000 2.444 519 K HA 0.025 4.346 4.320 0.001 0.000 0.193 519 K C 1.356 177.746 176.600 -0.351 0.000 1.024 519 K CA 0.651 56.836 56.287 -0.170 0.000 1.077 519 K CB 0.205 32.591 32.500 -0.190 0.000 0.833 519 K HN 0.355 nan 8.250 nan 0.000 0.517 520 H N -1.680 117.402 119.070 0.020 0.000 3.734 520 H HA 0.196 4.753 4.556 0.001 0.000 0.253 520 H C 1.182 176.505 175.328 -0.009 0.000 1.072 520 H CA 0.401 56.449 56.048 -0.001 0.000 1.147 520 H CB 0.579 30.336 29.762 -0.009 0.000 1.495 520 H HN 0.139 nan 8.280 nan 0.000 0.588 521 M N -0.409 119.257 119.600 0.110 0.000 2.858 521 M HA 0.025 4.506 4.480 0.001 0.000 0.255 521 M C 2.034 178.355 176.300 0.036 0.000 1.336 521 M CA 0.241 55.578 55.300 0.062 0.000 1.220 521 M CB 0.296 32.930 32.600 0.057 0.000 1.252 521 M HN -0.010 nan 8.290 nan 0.000 0.538 522 L N 2.034 123.276 121.223 0.032 0.000 1.997 522 L HA -0.107 4.234 4.340 0.001 0.000 0.216 522 L C -0.874 176.003 176.870 0.012 0.000 1.074 522 L CA 2.630 57.482 54.840 0.020 0.000 0.763 522 L CB -1.779 40.289 42.059 0.016 0.000 0.890 522 L HN -0.002 nan 8.230 nan 0.000 0.434 523 P HA -0.174 nan 4.420 nan 0.000 0.211 523 P C 1.699 179.001 177.300 0.003 0.000 1.181 523 P CA 2.588 65.687 63.100 -0.001 0.000 0.929 523 P CB -0.321 31.372 31.700 -0.012 0.000 0.789 524 T N -0.623 113.935 114.554 0.008 0.000 2.685 524 T HA -0.148 4.203 4.350 0.001 0.000 0.268 524 T C 1.791 176.488 174.700 -0.004 0.000 1.034 524 T CA 1.579 63.681 62.100 0.002 0.000 1.149 524 T CB -1.156 67.715 68.868 0.005 0.000 0.860 524 T HN -0.108 nan 8.240 nan 0.000 0.449 525 V N 1.137 121.052 119.914 0.002 0.000 2.427 525 V HA -0.085 4.036 4.120 0.001 0.000 0.248 525 V C 2.441 178.535 176.094 0.001 0.000 1.051 525 V CA 1.338 63.638 62.300 -0.001 0.000 1.048 525 V CB -0.657 31.172 31.823 0.010 0.000 0.666 525 V HN 0.442 nan 8.190 nan 0.000 0.456 526 L N -0.328 120.898 121.223 0.006 0.000 2.005 526 L HA -0.149 4.192 4.340 0.001 0.000 0.207 526 L C 2.730 179.603 176.870 0.004 0.000 1.072 526 L CA 1.862 56.707 54.840 0.008 0.000 0.744 526 L CB -0.672 41.392 42.059 0.009 0.000 0.895 526 L HN 0.223 nan 8.230 nan 0.000 0.433 527 R N 0.424 120.924 120.500 0.000 0.000 2.117 527 R HA -0.206 4.135 4.340 0.001 0.000 0.243 527 R C 2.176 178.474 176.300 -0.004 0.000 1.143 527 R CA 1.666 57.765 56.100 -0.002 0.000 0.968 527 R CB -0.180 30.117 30.300 -0.004 0.000 0.863 527 R HN 0.298 nan 8.270 nan 0.000 0.444 528 M N -0.241 119.353 119.600 -0.010 0.000 2.630 528 M HA 0.024 4.504 4.480 0.001 0.000 0.254 528 M C 2.004 178.298 176.300 -0.011 0.000 1.092 528 M CA 0.860 56.150 55.300 -0.017 0.000 1.087 528 M CB 0.230 32.810 32.600 -0.033 0.000 1.453 528 M HN 0.269 nan 8.290 nan 0.000 0.509 529 A N 0.319 123.140 122.820 0.000 0.000 2.131 529 A HA -0.047 4.274 4.320 0.001 0.000 0.220 529 A C 2.076 179.669 177.584 0.016 0.000 1.158 529 A CA 1.683 53.728 52.037 0.013 0.000 0.665 529 A CB -0.971 18.042 19.000 0.022 0.000 0.795 529 A HN 0.563 nan 8.150 nan 0.000 0.460 530 G N -1.118 107.687 108.800 0.009 0.000 3.233 530 G HA2 0.148 4.109 3.960 0.001 0.000 0.234 530 G HA3 0.148 4.109 3.960 0.001 0.000 0.234 530 G C 0.109 175.011 174.900 0.004 0.000 1.137 530 G CA 0.139 45.244 45.100 0.009 0.000 0.763 530 G HN 0.443 nan 8.290 nan 0.000 0.549 531 D N 1.557 121.956 120.400 -0.001 0.000 2.525 531 D HA 0.002 4.643 4.640 0.001 0.000 0.235 531 D C -0.616 175.682 176.300 -0.004 0.000 1.137 531 D CA -1.161 52.835 54.000 -0.006 0.000 0.868 531 D CB 2.065 42.857 40.800 -0.013 0.000 1.180 531 D HN 0.061 nan 8.370 nan 0.000 0.465 532 P HA -0.128 nan 4.420 nan 0.000 0.216 532 P C 0.568 177.849 177.300 -0.031 0.000 1.150 532 P CA 0.526 63.615 63.100 -0.018 0.000 0.837 532 P CB 0.206 31.891 31.700 -0.024 0.000 0.786 533 V N 0.817 120.706 119.914 -0.042 0.000 2.488 533 V HA 0.256 4.377 4.120 0.001 0.000 0.277 533 V C 1.928 178.013 176.094 -0.016 0.000 1.046 533 V CA 0.253 62.506 62.300 -0.077 0.000 0.986 533 V CB 0.519 32.262 31.823 -0.133 0.000 0.989 533 V HN 0.081 nan 8.190 nan 0.000 0.475 534 A N 4.543 127.371 122.820 0.014 0.000 1.841 534 A HA -0.216 4.105 4.320 0.001 0.000 0.216 534 A C 1.914 179.575 177.584 0.128 0.000 1.199 534 A CA 2.356 54.459 52.037 0.110 0.000 0.621 534 A CB -1.010 18.087 19.000 0.161 0.000 0.835 534 A HN 0.901 nan 8.150 nan 0.000 0.445 535 N N -0.215 118.579 118.700 0.156 0.000 2.202 535 N HA -0.205 4.536 4.740 0.001 0.000 0.197 535 N C 1.363 176.624 175.510 -0.415 0.000 0.995 535 N CA 1.860 54.887 53.050 -0.037 0.000 0.894 535 N CB -0.553 38.063 38.487 0.216 0.000 1.010 535 N HN 0.325 nan 8.380 nan 0.000 0.453 536 V N 0.380 120.203 119.914 -0.151 0.000 2.283 536 V HA -0.158 3.963 4.120 0.001 0.000 0.243 536 V C 2.211 178.189 176.094 -0.195 0.000 1.039 536 V CA 1.598 63.791 62.300 -0.179 0.000 1.016 536 V CB -0.421 31.364 31.823 -0.064 0.000 0.650 536 V HN 0.252 nan 8.190 nan 0.000 0.449 537 R N 0.074 120.526 120.500 -0.080 0.000 2.070 537 R HA -0.156 4.184 4.340 0.001 0.000 0.233 537 R C 2.350 178.681 176.300 0.052 0.000 1.137 537 R CA 2.035 58.134 56.100 -0.001 0.000 0.945 537 R CB -0.708 29.630 30.300 0.063 0.000 0.845 537 R HN 0.648 nan 8.270 nan 0.000 0.430 538 F N 1.335 121.333 119.950 0.081 0.000 2.250 538 F HA -0.136 4.392 4.527 0.001 0.000 0.301 538 F C 1.516 177.321 175.800 0.008 0.000 1.077 538 F CA 1.033 59.105 58.000 0.120 0.000 1.348 538 F CB -0.582 38.532 39.000 0.190 0.000 1.040 538 F HN -0.068 nan 8.300 nan 0.000 0.509 539 N N 0.725 119.080 118.700 -0.574 0.000 2.376 539 N HA -0.092 4.649 4.740 0.001 0.000 0.177 539 N C 2.197 177.624 175.510 -0.137 0.000 1.024 539 N CA 1.160 53.943 53.050 -0.444 0.000 0.893 539 N CB -0.048 38.091 38.487 -0.580 0.000 0.980 539 N HN 0.384 nan 8.380 nan 0.000 0.439 540 V N 1.173 121.027 119.914 -0.100 0.000 2.515 540 V HA -0.098 4.023 4.120 0.001 0.000 0.250 540 V C 2.134 178.240 176.094 0.020 0.000 1.058 540 V CA 1.817 64.097 62.300 -0.033 0.000 1.064 540 V CB -0.522 31.288 31.823 -0.022 0.000 0.675 540 V HN 0.235 nan 8.190 nan 0.000 0.461 541 A N 0.540 123.394 122.820 0.058 0.000 1.835 541 A HA -0.225 4.096 4.320 0.001 0.000 0.215 541 A C 2.146 179.782 177.584 0.086 0.000 1.199 541 A CA 2.069 54.168 52.037 0.104 0.000 0.615 541 A CB -0.706 18.408 19.000 0.191 0.000 0.838 541 A HN 0.595 nan 8.150 nan 0.000 0.444 542 K N 0.407 120.839 120.400 0.054 0.000 2.189 542 K HA -0.170 4.150 4.320 0.001 0.000 0.207 542 K C 2.175 178.790 176.600 0.026 0.000 1.046 542 K CA 1.724 58.013 56.287 0.003 0.000 0.928 542 K CB -0.299 32.106 32.500 -0.159 0.000 0.720 542 K HN 0.450 nan 8.250 nan 0.000 0.458 543 S N 1.137 116.857 115.700 0.033 0.000 2.387 543 S HA -0.006 4.464 4.470 0.001 0.000 0.226 543 S C 1.908 176.534 174.600 0.043 0.000 1.026 543 S CA 0.784 59.010 58.200 0.044 0.000 0.972 543 S CB -0.131 63.096 63.200 0.045 0.000 0.814 543 S HN 0.178 nan 8.310 nan 0.000 0.477 544 L N 1.437 122.688 121.223 0.046 0.000 2.093 544 L HA -0.147 4.194 4.340 0.001 0.000 0.208 544 L C 2.803 179.703 176.870 0.051 0.000 1.085 544 L CA 1.163 56.031 54.840 0.046 0.000 0.755 544 L CB -0.493 41.596 42.059 0.050 0.000 0.904 544 L HN 0.386 nan 8.230 nan 0.000 0.435 545 Q N 0.597 120.434 119.800 0.061 0.000 1.975 545 Q HA -0.309 4.032 4.340 0.001 0.000 0.205 545 Q C 2.197 178.226 176.000 0.049 0.000 0.990 545 Q CA 2.137 57.979 55.803 0.065 0.000 0.845 545 Q CB 0.017 28.805 28.738 0.083 0.000 0.913 545 Q HN 0.121 nan 8.270 nan 0.000 0.420 546 K N 0.870 121.295 120.400 0.043 0.000 2.015 546 K HA -0.212 4.109 4.320 0.001 0.000 0.220 546 K C 1.875 178.495 176.600 0.033 0.000 1.055 546 K CA 2.275 58.582 56.287 0.033 0.000 0.951 546 K CB -0.757 31.759 32.500 0.027 0.000 0.725 546 K HN 0.569 nan 8.250 nan 0.000 0.449 547 I N -2.164 118.427 120.570 0.035 0.000 3.444 547 I HA 0.177 4.348 4.170 0.001 0.000 0.287 547 I C 1.571 177.707 176.117 0.033 0.000 1.302 547 I CA 0.658 61.978 61.300 0.034 0.000 1.368 547 I CB -0.565 37.456 38.000 0.035 0.000 1.048 547 I HN 0.166 nan 8.210 nan 0.000 0.487 548 G N 2.779 111.601 108.800 0.035 0.000 2.701 548 G HA2 -0.177 3.784 3.960 0.001 0.000 0.215 548 G HA3 -0.177 3.784 3.960 0.001 0.000 0.215 548 G C -0.396 174.522 174.900 0.030 0.000 1.297 548 G CA 1.331 46.452 45.100 0.034 0.000 0.807 548 G HN 0.345 nan 8.290 nan 0.000 0.608 549 P HA -0.211 nan 4.420 nan 0.000 0.222 549 P C 1.981 179.296 177.300 0.025 0.000 1.159 549 P CA 1.505 64.621 63.100 0.026 0.000 0.920 549 P CB -0.223 31.492 31.700 0.026 0.000 0.793 550 I N -2.191 118.394 120.570 0.026 0.000 2.236 550 I HA -0.229 3.942 4.170 0.001 0.000 0.249 550 I C 1.467 177.599 176.117 0.025 0.000 1.102 550 I CA 0.831 62.146 61.300 0.026 0.000 1.365 550 I CB -0.774 37.243 38.000 0.029 0.000 1.051 550 I HN -0.038 nan 8.210 nan 0.000 0.420 551 L N 0.891 122.129 121.223 0.025 0.000 2.476 551 L HA 0.045 4.386 4.340 0.001 0.000 0.255 551 L C -0.014 176.868 176.870 0.020 0.000 1.218 551 L CA -0.402 54.451 54.840 0.023 0.000 0.819 551 L CB 0.137 42.209 42.059 0.023 0.000 1.119 551 L HN 0.185 nan 8.230 nan 0.000 0.485 552 D N -1.427 118.983 120.400 0.017 0.000 2.175 552 D HA 0.129 4.770 4.640 0.001 0.000 0.248 552 D C 0.229 176.538 176.300 0.015 0.000 1.047 552 D CA -0.645 53.364 54.000 0.015 0.000 0.883 552 D CB 0.542 41.349 40.800 0.013 0.000 1.180 552 D HN 0.318 nan 8.370 nan 0.000 0.438 553 N N 0.407 119.116 118.700 0.015 0.000 2.493 553 N HA -0.216 4.525 4.740 0.001 0.000 0.191 553 N C 1.279 176.796 175.510 0.013 0.000 1.041 553 N CA 1.061 54.119 53.050 0.014 0.000 0.904 553 N CB 0.036 38.531 38.487 0.014 0.000 0.948 553 N HN 0.442 nan 8.380 nan 0.000 0.446 554 S N -0.981 114.726 115.700 0.012 0.000 2.341 554 S HA -0.021 4.450 4.470 0.001 0.000 0.216 554 S C 1.803 176.409 174.600 0.010 0.000 1.034 554 S CA 1.137 59.343 58.200 0.010 0.000 0.964 554 S CB -0.367 62.838 63.200 0.008 0.000 0.882 554 S HN 0.255 nan 8.310 nan 0.000 0.469 555 T N 2.603 117.163 114.554 0.010 0.000 2.995 555 T HA 0.135 4.486 4.350 0.001 0.000 0.269 555 T C 1.696 176.404 174.700 0.013 0.000 1.091 555 T CA 0.816 62.922 62.100 0.010 0.000 1.128 555 T CB -0.290 68.583 68.868 0.009 0.000 0.891 555 T HN 0.334 nan 8.240 nan 0.000 0.492 556 L N 0.637 121.869 121.223 0.015 0.000 2.093 556 L HA -0.082 4.258 4.340 0.001 0.000 0.208 556 L C 2.347 179.228 176.870 0.018 0.000 1.085 556 L CA 1.512 56.363 54.840 0.019 0.000 0.755 556 L CB -0.188 41.884 42.059 0.021 0.000 0.904 556 L HN 0.236 nan 8.230 nan 0.000 0.435 557 Q N -1.737 118.073 119.800 0.016 0.000 2.424 557 Q HA -0.075 4.266 4.340 0.001 0.000 0.204 557 Q C 2.143 178.151 176.000 0.013 0.000 0.933 557 Q CA 0.760 56.572 55.803 0.016 0.000 0.929 557 Q CB 0.528 29.274 28.738 0.014 0.000 1.037 557 Q HN 0.471 nan 8.270 nan 0.000 0.511 558 S N 0.861 116.568 115.700 0.012 0.000 2.336 558 S HA -0.089 4.382 4.470 0.001 0.000 0.216 558 S C 1.475 176.081 174.600 0.009 0.000 1.032 558 S CA 1.040 59.245 58.200 0.009 0.000 0.973 558 S CB 0.219 63.423 63.200 0.007 0.000 0.888 558 S HN 0.324 nan 8.310 nan 0.000 0.455 559 E N -0.617 119.589 120.200 0.010 0.000 2.399 559 E HA 0.160 4.511 4.350 0.001 0.000 0.205 559 E C 1.854 178.463 176.600 0.015 0.000 0.906 559 E CA 0.207 56.613 56.400 0.011 0.000 0.998 559 E CB 0.346 30.050 29.700 0.007 0.000 1.002 559 E HN 0.266 nan 8.360 nan 0.000 0.501 560 V N 2.049 121.974 119.914 0.018 0.000 2.261 560 V HA -0.217 3.904 4.120 0.001 0.000 0.235 560 V C 2.331 178.441 176.094 0.027 0.000 1.044 560 V CA 1.847 64.161 62.300 0.024 0.000 1.007 560 V CB -0.490 31.349 31.823 0.027 0.000 0.647 560 V HN 0.140 nan 8.190 nan 0.000 0.462 561 K N 0.497 120.913 120.400 0.027 0.000 2.081 561 K HA -0.306 4.015 4.320 0.001 0.000 0.222 561 K C -0.184 176.432 176.600 0.027 0.000 1.055 561 K CA 2.889 59.193 56.287 0.028 0.000 0.954 561 K CB -1.472 31.043 32.500 0.024 0.000 0.732 561 K HN 0.381 nan 8.250 nan 0.000 0.458 562 P HA -0.178 nan 4.420 nan 0.000 0.210 562 P C 1.299 178.614 177.300 0.024 0.000 1.185 562 P CA 1.388 64.500 63.100 0.021 0.000 0.924 562 P CB -0.051 31.659 31.700 0.016 0.000 0.786 563 I N -1.080 119.504 120.570 0.023 0.000 3.551 563 I HA -0.059 4.111 4.170 0.001 0.000 0.307 563 I C 1.317 177.454 176.117 0.034 0.000 1.215 563 I CA 0.564 61.879 61.300 0.025 0.000 1.195 563 I CB -0.398 37.615 38.000 0.021 0.000 0.998 563 I HN -0.044 nan 8.210 nan 0.000 0.510 564 L N -1.035 120.210 121.223 0.038 0.000 2.653 564 L HA 0.124 4.465 4.340 0.001 0.000 0.230 564 L C 2.103 179.004 176.870 0.051 0.000 1.055 564 L CA 0.100 54.969 54.840 0.049 0.000 0.880 564 L CB -0.047 42.042 42.059 0.050 0.000 1.195 564 L HN 0.102 nan 8.230 nan 0.000 0.492 565 E N 0.729 120.954 120.200 0.041 0.000 2.015 565 E HA -0.296 4.055 4.350 0.001 0.000 0.191 565 E C 1.721 178.344 176.600 0.037 0.000 0.991 565 E CA 1.120 57.542 56.400 0.037 0.000 0.802 565 E CB -0.208 29.509 29.700 0.029 0.000 0.759 565 E HN 0.316 nan 8.360 nan 0.000 0.447 566 K N 0.888 121.308 120.400 0.033 0.000 2.366 566 K HA -0.143 4.178 4.320 0.001 0.000 0.202 566 K C 2.083 178.707 176.600 0.040 0.000 1.045 566 K CA 0.707 57.013 56.287 0.032 0.000 0.934 566 K CB -0.091 32.426 32.500 0.027 0.000 0.746 566 K HN 0.064 nan 8.250 nan 0.000 0.470 567 L N -0.025 121.228 121.223 0.050 0.000 2.209 567 L HA -0.081 4.260 4.340 0.001 0.000 0.207 567 L C 2.323 179.235 176.870 0.070 0.000 1.094 567 L CA 1.235 56.114 54.840 0.065 0.000 0.790 567 L CB -0.581 41.526 42.059 0.081 0.000 0.932 567 L HN 0.370 nan 8.230 nan 0.000 0.447 568 T N -3.156 111.434 114.554 0.061 0.000 2.918 568 T HA -0.259 4.092 4.350 0.001 0.000 0.271 568 T C 1.509 176.235 174.700 0.044 0.000 1.104 568 T CA 1.196 63.329 62.100 0.055 0.000 1.114 568 T CB -0.203 68.689 68.868 0.041 0.000 0.855 568 T HN 0.426 nan 8.240 nan 0.000 0.518 569 Q N 0.363 120.188 119.800 0.041 0.000 2.282 569 Q HA 0.180 4.521 4.340 0.001 0.000 0.206 569 Q C 0.035 176.057 176.000 0.037 0.000 0.878 569 Q CA -0.383 55.439 55.803 0.033 0.000 0.944 569 Q CB 0.241 28.994 28.738 0.026 0.000 1.100 569 Q HN 0.486 nan 8.270 nan 0.000 0.509 570 D N 0.931 121.361 120.400 0.051 0.000 2.449 570 D HA -0.103 4.537 4.640 0.001 0.000 0.236 570 D C 0.935 177.266 176.300 0.052 0.000 1.149 570 D CA 0.336 54.369 54.000 0.055 0.000 0.878 570 D CB 0.984 41.830 40.800 0.077 0.000 1.198 570 D HN -0.040 nan 8.370 nan 0.000 0.446 571 Q N 2.390 122.217 119.800 0.045 0.000 1.856 571 Q HA -0.176 4.165 4.340 0.001 0.000 0.233 571 Q C -0.156 175.873 176.000 0.048 0.000 0.995 571 Q CA 1.158 56.984 55.803 0.038 0.000 0.877 571 Q CB -0.673 28.084 28.738 0.030 0.000 0.937 571 Q HN 0.720 nan 8.270 nan 0.000 0.423 572 D N 0.828 121.263 120.400 0.059 0.000 3.659 572 D HA -0.114 4.527 4.640 0.001 0.000 0.218 572 D C 1.346 177.694 176.300 0.080 0.000 1.220 572 D CA 0.160 54.204 54.000 0.072 0.000 0.803 572 D CB 0.606 41.468 40.800 0.103 0.000 1.180 572 D HN 0.097 nan 8.370 nan 0.000 0.610 573 V N 4.690 124.637 119.914 0.056 0.000 2.278 573 V HA -0.310 3.811 4.120 0.001 0.000 0.251 573 V C 2.214 178.361 176.094 0.088 0.000 1.062 573 V CA 2.042 64.373 62.300 0.052 0.000 1.038 573 V CB -0.424 31.416 31.823 0.029 0.000 0.646 573 V HN 0.606 nan 8.190 nan 0.000 0.447 574 D N 0.057 120.496 120.400 0.065 0.000 2.149 574 D HA -0.169 4.472 4.640 0.001 0.000 0.194 574 D C 2.148 178.559 176.300 0.185 0.000 1.001 574 D CA 1.812 55.818 54.000 0.010 0.000 0.849 574 D CB -0.232 40.464 40.800 -0.174 0.000 0.939 574 D HN 0.402 nan 8.370 nan 0.000 0.449 575 V N 1.256 121.319 119.914 0.249 0.000 2.223 575 V HA -0.263 3.858 4.120 0.001 0.000 0.244 575 V C 2.558 178.811 176.094 0.265 0.000 1.045 575 V CA 1.884 64.380 62.300 0.326 0.000 1.000 575 V CB -0.581 31.384 31.823 0.237 0.000 0.635 575 V HN 0.165 nan 8.190 nan 0.000 0.445 576 K N -0.905 119.596 120.400 0.169 0.000 2.015 576 K HA -0.317 4.004 4.320 0.001 0.000 0.216 576 K C 2.209 178.893 176.600 0.140 0.000 1.052 576 K CA 2.499 58.860 56.287 0.122 0.000 0.937 576 K CB -0.581 31.955 32.500 0.060 0.000 0.719 576 K HN 0.393 nan 8.250 nan 0.000 0.446 577 Y N 0.527 120.784 120.300 -0.073 0.000 1.931 577 Y HA -0.361 4.190 4.550 0.001 0.000 0.240 577 Y C 2.015 177.790 175.900 -0.207 0.000 1.189 577 Y CA 2.512 60.470 58.100 -0.236 0.000 1.059 577 Y CB -1.140 37.031 38.460 -0.482 0.000 0.880 577 Y HN 0.152 nan 8.280 nan 0.000 0.507 578 F N -0.628 119.512 119.950 0.317 0.000 2.186 578 F HA -0.060 4.467 4.527 0.001 0.000 0.299 578 F C 2.624 178.524 175.800 0.167 0.000 1.090 578 F CA 1.084 59.206 58.000 0.204 0.000 1.307 578 F CB -1.447 37.649 39.000 0.161 0.000 1.019 578 F HN 0.178 nan 8.300 nan 0.000 0.489 579 A N -0.199 122.821 122.820 0.334 0.000 1.909 579 A HA -0.381 3.940 4.320 0.001 0.000 0.221 579 A C 2.170 179.849 177.584 0.158 0.000 1.223 579 A CA 2.599 54.765 52.037 0.216 0.000 0.658 579 A CB -1.092 18.009 19.000 0.169 0.000 0.831 579 A HN 0.490 nan 8.150 nan 0.000 0.462 580 Q N -1.435 118.442 119.800 0.129 0.000 2.250 580 Q HA -0.059 4.282 4.340 0.001 0.000 0.200 580 Q C 1.884 177.942 176.000 0.097 0.000 0.941 580 Q CA 1.093 56.948 55.803 0.087 0.000 0.872 580 Q CB -0.031 28.735 28.738 0.046 0.000 0.965 580 Q HN 0.708 nan 8.270 nan 0.000 0.480 581 E N -0.055 120.226 120.200 0.134 0.000 2.273 581 E HA -0.209 4.142 4.350 0.001 0.000 0.198 581 E C 1.388 178.071 176.600 0.140 0.000 1.002 581 E CA 1.377 57.863 56.400 0.143 0.000 0.828 581 E CB -0.106 29.723 29.700 0.216 0.000 0.747 581 E HN 0.471 nan 8.360 nan 0.000 0.491 582 A N -0.153 122.755 122.820 0.146 0.000 1.975 582 A HA 0.027 4.348 4.320 0.001 0.000 0.215 582 A C 2.056 179.690 177.584 0.084 0.000 1.170 582 A CA 0.721 52.829 52.037 0.119 0.000 0.656 582 A CB -0.302 18.772 19.000 0.123 0.000 0.821 582 A HN 0.306 nan 8.150 nan 0.000 0.449 583 L N -0.808 120.461 121.223 0.076 0.000 2.044 583 L HA -0.107 4.233 4.340 0.001 0.000 0.205 583 L C 2.542 179.441 176.870 0.048 0.000 1.075 583 L CA 1.594 56.468 54.840 0.056 0.000 0.747 583 L CB -1.105 40.984 42.059 0.050 0.000 0.903 583 L HN 0.242 nan 8.230 nan 0.000 0.435 584 T N -0.455 114.130 114.554 0.051 0.000 2.918 584 T HA -0.139 4.211 4.350 0.001 0.000 0.271 584 T C 1.792 176.518 174.700 0.043 0.000 1.104 584 T CA 1.165 63.290 62.100 0.042 0.000 1.114 584 T CB -0.111 68.783 68.868 0.043 0.000 0.855 584 T HN 0.113 nan 8.240 nan 0.000 0.518 585 V N 0.350 120.294 119.914 0.051 0.000 2.795 585 V HA 0.187 4.308 4.120 0.001 0.000 0.243 585 V C 1.775 177.892 176.094 0.039 0.000 1.069 585 V CA 0.741 63.069 62.300 0.047 0.000 1.089 585 V CB -0.179 31.677 31.823 0.056 0.000 0.756 585 V HN 0.424 nan 8.190 nan 0.000 0.471 586 L N 0.089 121.336 121.223 0.041 0.000 2.627 586 L HA 0.301 4.642 4.340 0.001 0.000 0.232 586 L C 0.509 177.397 176.870 0.029 0.000 1.150 586 L CA -0.064 54.797 54.840 0.035 0.000 0.917 586 L CB -0.528 41.554 42.059 0.037 0.000 1.104 586 L HN 0.212 nan 8.230 nan 0.000 0.445 587 S N 1.385 117.102 115.700 0.029 0.000 3.367 587 S HA -0.097 4.374 4.470 0.001 0.000 0.479 587 S C -0.281 174.333 174.600 0.023 0.000 0.735 587 S CA 0.508 58.722 58.200 0.024 0.000 1.365 587 S CB -0.856 62.356 63.200 0.020 0.000 1.037 587 S HN 0.365 nan 8.310 nan 0.000 0.752 588 L N 0.000 121.237 121.223 0.024 0.000 2.949 588 L HA 0.000 4.341 4.340 0.001 0.000 0.249 588 L CA 0.000 54.853 54.840 0.023 0.000 0.813 588 L CB 0.000 42.075 42.059 0.027 0.000 0.961 588 L HN 0.000 nan 8.230 nan 0.000 0.502