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 1yaj_1_I DATA FIRST_RESID 21 DATA SEQUENCE SSPPVVDTVH GKVLGKFVSL EGFAQPVAIF LGIPFAKPPL GPLRFTPPQP DATA SEQUENCE AEPWSFVKNA TSYPPMcTQD PKAGQLLSEL FTNRKENIPL KLSEDcLYLN DATA SEQUENCE IYTPADLTKK NRLPVMVWIH GGGLMVGAAS TYDGLALAAH ENVVVVTIQY DATA SEQUENCE RLGIWGFFST GDEHSRGNWG HLDQVAALRW VQDNIASFGG NPGSVTIFGE DATA SEQUENCE SAGGESVSVL VLSPLAKNLF HRAISESGVA LTSVLVKKGD VKPLAEQIAI DATA SEQUENCE TAGcKTTTSA VMVHcLRQKT EEELLETTLK MKFLSLDLQG DPRESQPLLG DATA SEQUENCE TVIDGMLLLK TPEELQAERN FHTVPYMVGI NKQEFGWLIP MXLMSYPLSE DATA SEQUENCE GQLDQKTAMS LLWKSYPLVC IAKELIPEAT EKYLGGTDDT VKKKDLFLDL DATA SEQUENCE IADVMFGVPS VIVARNHRDA GAPTYMYEFQ YRPSFSSDMK PKTVIGDHGD DATA SEQUENCE ELFSVFGAPF LKEGASEEEI RLSKMVMKFW ANFARNGNPN GEGLPHWPEY DATA SEQUENCE NQKEGYLQIG ANTQAAQKLK DKEVAFWTNL FAK 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 21 S HA 0.000 nan 4.470 nan 0.000 0.327 21 S C 0.000 174.669 174.600 0.114 0.000 1.055 21 S CA 0.000 58.233 58.200 0.055 0.000 1.107 21 S CB 0.000 63.220 63.200 0.033 0.000 0.593 22 S N 4.868 120.635 115.700 0.111 0.000 2.571 22 S HA 0.363 4.833 4.470 -0.000 0.000 0.297 22 S C -2.248 172.468 174.600 0.193 0.000 1.234 22 S CA -0.145 58.127 58.200 0.120 0.000 1.120 22 S CB -0.015 63.244 63.200 0.098 0.000 0.923 22 S HN 0.433 nan 8.310 nan 0.000 0.504 23 P HA 0.114 nan 4.420 nan 0.000 0.270 23 P C -2.446 174.801 177.300 -0.088 0.000 1.216 23 P CA -0.722 62.367 63.100 -0.019 0.000 0.788 23 P CB -0.176 31.483 31.700 -0.068 0.000 0.883 24 P HA 0.231 nan 4.420 nan 0.000 0.282 24 P C -1.159 176.123 177.300 -0.029 0.000 1.249 24 P CA 0.046 62.933 63.100 -0.355 0.000 0.806 24 P CB 0.793 32.079 31.700 -0.689 0.000 0.984 25 V N 3.436 123.407 119.914 0.095 0.000 2.462 25 V HA 0.268 4.388 4.120 -0.000 0.000 0.288 25 V C -0.291 175.851 176.094 0.080 0.000 1.020 25 V CA -0.569 61.810 62.300 0.133 0.000 0.857 25 V CB 1.880 33.756 31.823 0.089 0.000 1.013 25 V HN 0.190 nan 8.190 nan 0.000 0.431 26 V N 2.623 122.556 119.914 0.031 0.000 2.581 26 V HA 0.508 4.628 4.120 -0.000 0.000 0.303 26 V C -0.256 175.741 176.094 -0.162 0.000 1.041 26 V CA -0.645 61.516 62.300 -0.233 0.000 0.907 26 V CB 2.174 33.485 31.823 -0.853 0.000 0.994 26 V HN 0.750 nan 8.190 nan 0.000 0.442 27 D N 2.557 122.864 120.400 -0.154 0.000 2.264 27 D HA 0.482 5.122 4.640 -0.000 0.000 0.250 27 D C 0.060 176.290 176.300 -0.117 0.000 1.113 27 D CA 0.261 54.211 54.000 -0.085 0.000 0.871 27 D CB 1.989 42.741 40.800 -0.079 0.000 1.167 27 D HN 0.834 nan 8.370 nan 0.000 0.447 28 T N -1.242 113.284 114.554 -0.048 0.000 2.916 28 T HA 0.258 4.608 4.350 -0.000 0.000 0.292 28 T C 1.424 176.014 174.700 -0.183 0.000 1.055 28 T CA -0.768 61.291 62.100 -0.068 0.000 1.009 28 T CB 1.204 70.173 68.868 0.168 0.000 1.118 28 T HN 0.006 nan 8.240 nan 0.000 0.497 29 V N 1.548 121.294 119.914 -0.280 0.000 2.317 29 V HA -0.187 3.933 4.120 -0.000 0.000 0.251 29 V C 2.349 178.195 176.094 -0.413 0.000 1.065 29 V CA 1.948 64.025 62.300 -0.373 0.000 1.049 29 V CB -1.069 30.445 31.823 -0.515 0.000 0.651 29 V HN 0.884 nan 8.190 nan 0.000 0.450 30 H N -0.482 118.387 119.070 -0.335 0.000 2.563 30 H HA 0.461 5.017 4.556 -0.000 0.000 0.264 30 H C 0.977 175.553 175.328 -1.254 0.000 0.957 30 H CA 0.949 56.610 56.048 -0.645 0.000 1.173 30 H CB 0.618 30.013 29.762 -0.611 0.000 1.420 30 H HN 0.547 nan 8.280 nan 0.000 0.551 31 G N 0.262 108.560 108.800 -0.836 0.000 2.352 31 G HA2 0.044 4.004 3.960 -0.000 0.000 0.302 31 G HA3 0.044 4.004 3.960 -0.000 0.000 0.302 31 G C -1.426 173.545 174.900 0.118 0.000 1.370 31 G CA -1.166 43.500 45.100 -0.725 0.000 0.918 31 G HN 0.018 nan 8.290 nan 0.000 0.610 32 K N -0.146 120.475 120.400 0.369 0.000 2.322 32 K HA 0.539 4.859 4.320 -0.000 0.000 0.283 32 K C -0.263 176.667 176.600 0.550 0.000 1.042 32 K CA -0.424 56.088 56.287 0.375 0.000 0.958 32 K CB 1.842 34.486 32.500 0.240 0.000 0.984 32 K HN 0.302 nan 8.250 nan 0.000 0.473 33 V N 4.051 124.195 119.914 0.383 0.000 2.628 33 V HA 0.312 4.432 4.120 -0.000 0.000 0.306 33 V C -0.588 175.721 176.094 0.358 0.000 1.045 33 V CA -1.044 61.473 62.300 0.362 0.000 0.905 33 V CB 1.892 33.956 31.823 0.400 0.000 0.997 33 V HN 0.587 nan 8.190 nan 0.000 0.436 34 L N 3.583 124.982 121.223 0.294 0.000 2.313 34 L HA 0.888 5.228 4.340 -0.000 0.000 0.283 34 L C 0.199 177.121 176.870 0.086 0.000 1.013 34 L CA 0.351 55.305 54.840 0.190 0.000 0.816 34 L CB 1.110 43.215 42.059 0.076 0.000 1.236 34 L HN 0.825 nan 8.230 nan 0.000 0.419 35 G N 4.415 113.067 108.800 -0.247 0.000 3.015 35 G HA2 0.617 4.577 3.960 -0.000 0.000 0.281 35 G HA3 0.617 4.577 3.960 -0.000 0.000 0.281 35 G C -1.461 173.084 174.900 -0.592 0.000 1.386 35 G CA -0.621 44.085 45.100 -0.657 0.000 0.959 35 G HN 0.619 nan 8.290 nan 0.000 0.522 36 K N -0.878 119.180 120.400 -0.570 0.000 2.259 36 K HA 0.656 4.976 4.320 -0.000 0.000 0.249 36 K C -1.467 174.894 176.600 -0.399 0.000 0.942 36 K CA -0.799 55.254 56.287 -0.390 0.000 0.816 36 K CB 2.346 34.713 32.500 -0.223 0.000 1.155 36 K HN 0.265 nan 8.250 nan 0.000 0.428 37 F N 1.405 121.270 119.950 -0.142 0.000 2.412 37 F HA 0.300 4.827 4.527 -0.000 0.000 0.348 37 F C -0.215 175.549 175.800 -0.061 0.000 1.102 37 F CA -0.578 57.366 58.000 -0.094 0.000 1.196 37 F CB 1.674 40.641 39.000 -0.055 0.000 1.144 37 F HN 0.117 nan 8.300 nan 0.000 0.541 38 V N 3.239 123.275 119.914 0.203 0.000 2.482 38 V HA 0.260 4.380 4.120 -0.000 0.000 0.295 38 V C -0.575 175.588 176.094 0.114 0.000 1.026 38 V CA -0.765 61.607 62.300 0.120 0.000 0.856 38 V CB 1.767 33.641 31.823 0.084 0.000 1.001 38 V HN 0.741 nan 8.190 nan 0.000 0.424 39 S N 4.855 120.607 115.700 0.087 0.000 2.585 39 S HA 0.741 5.211 4.470 -0.000 0.000 0.277 39 S C -0.472 174.175 174.600 0.078 0.000 1.241 39 S CA -0.375 57.868 58.200 0.071 0.000 1.041 39 S CB 1.617 64.849 63.200 0.053 0.000 0.987 39 S HN 0.553 nan 8.310 nan 0.000 0.512 40 L N 2.046 123.322 121.223 0.089 0.000 2.333 40 L HA 0.567 4.907 4.340 -0.000 0.000 0.269 40 L C -0.749 176.259 176.870 0.230 0.000 1.010 40 L CA -0.585 54.327 54.840 0.119 0.000 0.818 40 L CB 1.265 43.315 42.059 -0.016 0.000 1.306 40 L HN 0.478 nan 8.230 nan 0.000 0.430 41 E N 2.559 122.887 120.200 0.213 0.000 2.415 41 E HA 0.438 4.788 4.350 -0.000 0.000 0.260 41 E C 0.860 177.559 176.600 0.165 0.000 1.016 41 E CA 1.223 57.729 56.400 0.177 0.000 0.924 41 E CB 0.104 29.903 29.700 0.166 0.000 0.961 41 E HN 0.849 nan 8.360 nan 0.000 0.459 42 G N 2.184 110.996 108.800 0.020 0.000 2.176 42 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.232 42 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.232 42 G C -0.302 174.274 174.900 -0.540 0.000 0.986 42 G CA -0.522 44.427 45.100 -0.252 0.000 0.643 42 G HN 0.336 nan 8.290 nan 0.000 0.522 43 F N -0.130 119.786 119.950 -0.057 0.000 2.539 43 F HA 0.760 5.287 4.527 -0.000 0.000 0.318 43 F C 1.066 176.845 175.800 -0.036 0.000 1.135 43 F CA -0.265 57.701 58.000 -0.057 0.000 0.915 43 F CB 1.587 40.537 39.000 -0.082 0.000 1.176 43 F HN 0.113 nan 8.300 nan 0.000 0.440 44 A N 1.775 124.664 122.820 0.116 0.000 1.824 44 A HA -0.095 4.225 4.320 -0.000 0.000 0.215 44 A C 1.001 178.617 177.584 0.053 0.000 1.244 44 A CA 0.705 52.775 52.037 0.056 0.000 0.604 44 A CB -0.755 18.259 19.000 0.023 0.000 0.900 44 A HN 0.720 nan 8.150 nan 0.000 0.455 45 Q N 1.902 121.736 119.800 0.056 0.000 2.292 45 Q HA 0.126 4.466 4.340 -0.000 0.000 0.290 45 Q C -2.080 173.946 176.000 0.043 0.000 1.161 45 Q CA -1.232 54.587 55.803 0.027 0.000 0.974 45 Q CB 0.072 28.842 28.738 0.054 0.000 1.136 45 Q HN 0.441 nan 8.270 nan 0.000 0.398 46 P HA 0.001 nan 4.420 nan 0.000 0.274 46 P C -0.949 176.445 177.300 0.158 0.000 1.264 46 P CA -0.299 62.834 63.100 0.055 0.000 0.795 46 P CB 0.624 32.322 31.700 -0.004 0.000 1.064 47 V N -0.139 119.890 119.914 0.191 0.000 2.417 47 V HA 0.459 4.579 4.120 -0.000 0.000 0.291 47 V C 0.540 176.753 176.094 0.199 0.000 1.024 47 V CA -0.979 61.437 62.300 0.192 0.000 0.861 47 V CB 0.887 32.782 31.823 0.120 0.000 0.985 47 V HN 0.735 nan 8.190 nan 0.000 0.436 48 A N 6.610 129.532 122.820 0.169 0.000 2.451 48 A HA 0.676 4.996 4.320 -0.000 0.000 0.266 48 A C -0.240 177.252 177.584 -0.154 0.000 1.119 48 A CA -0.011 51.941 52.037 -0.141 0.000 0.786 48 A CB -0.251 18.740 19.000 -0.016 0.000 1.061 48 A HN 0.788 nan 8.150 nan 0.000 0.503 49 I N 3.218 123.530 120.570 -0.431 0.000 2.390 49 I HA 0.302 4.472 4.170 -0.000 0.000 0.283 49 I C -1.312 174.506 176.117 -0.498 0.000 1.016 49 I CA -0.182 60.855 61.300 -0.438 0.000 1.151 49 I CB 1.001 38.767 38.000 -0.390 0.000 1.293 49 I HN 0.495 nan 8.210 nan 0.000 0.458 50 F N 6.657 126.456 119.950 -0.251 0.000 2.388 50 F HA 0.503 5.030 4.527 -0.000 0.000 0.358 50 F C -0.076 175.611 175.800 -0.188 0.000 1.122 50 F CA -0.669 57.245 58.000 -0.143 0.000 1.056 50 F CB 1.067 40.092 39.000 0.043 0.000 1.155 50 F HN 0.180 nan 8.300 nan 0.000 0.461 51 L N 3.252 124.447 121.223 -0.048 0.000 2.280 51 L HA 0.660 5.000 4.340 -0.000 0.000 0.287 51 L C 0.684 177.523 176.870 -0.051 0.000 1.023 51 L CA -0.771 54.023 54.840 -0.076 0.000 0.819 51 L CB 1.264 43.157 42.059 -0.277 0.000 1.212 51 L HN 0.922 nan 8.230 nan 0.000 0.420 52 G N 3.656 112.468 108.800 0.020 0.000 2.255 52 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.239 52 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.239 52 G C -0.229 174.792 174.900 0.202 0.000 1.083 52 G CA -0.622 44.494 45.100 0.027 0.000 0.826 52 G HN 0.516 nan 8.290 nan 0.000 0.493 53 I N 2.379 123.022 120.570 0.122 0.000 2.396 53 I HA 0.229 4.399 4.170 -0.000 0.000 0.289 53 I C -1.341 174.780 176.117 0.006 0.000 1.056 53 I CA -2.127 59.203 61.300 0.051 0.000 1.365 53 I CB 1.134 39.106 38.000 -0.047 0.000 1.407 53 I HN 0.007 nan 8.210 nan 0.000 0.509 54 P HA 0.006 nan 4.420 nan 0.000 0.271 54 P C -0.313 176.911 177.300 -0.126 0.000 1.216 54 P CA 0.119 63.064 63.100 -0.258 0.000 0.771 54 P CB 0.482 32.047 31.700 -0.226 0.000 0.864 55 F N 0.786 120.564 119.950 -0.287 0.000 2.781 55 F HA 0.759 5.286 4.527 -0.000 0.000 0.322 55 F C -0.205 175.596 175.800 0.002 0.000 1.108 55 F CA -1.004 56.866 58.000 -0.216 0.000 1.179 55 F CB 0.147 38.877 39.000 -0.450 0.000 1.072 55 F HN 0.401 nan 8.300 nan 0.000 0.545 56 A N 0.890 123.519 122.820 -0.318 0.000 2.605 56 A HA 0.462 4.782 4.320 -0.000 0.000 0.294 56 A C -1.179 176.240 177.584 -0.275 0.000 1.062 56 A CA -1.052 50.859 52.037 -0.210 0.000 0.682 56 A CB 1.007 19.843 19.000 -0.273 0.000 1.278 56 A HN 0.252 nan 8.150 nan 0.000 0.410 57 K N 1.367 121.672 120.400 -0.158 0.000 2.382 57 K HA 0.332 4.652 4.320 -0.000 0.000 0.275 57 K C -2.326 174.154 176.600 -0.199 0.000 1.009 57 K CA -1.174 55.019 56.287 -0.158 0.000 0.970 57 K CB 0.290 32.735 32.500 -0.090 0.000 0.934 57 K HN 0.312 nan 8.250 nan 0.000 0.479 58 P HA -0.014 nan 4.420 nan 0.000 0.258 58 P C -2.389 174.823 177.300 -0.147 0.000 1.187 58 P CA -0.787 62.202 63.100 -0.186 0.000 0.767 58 P CB 0.176 31.795 31.700 -0.135 0.000 0.770 59 P HA 0.063 nan 4.420 nan 0.000 0.235 59 P C -0.770 176.448 177.300 -0.137 0.000 1.765 59 P CA 0.482 63.495 63.100 -0.146 0.000 1.034 59 P CB -0.010 31.603 31.700 -0.145 0.000 1.984 60 L N 0.308 121.459 121.223 -0.119 0.000 2.313 60 L HA 0.690 5.030 4.340 -0.000 0.000 0.268 60 L C 1.522 178.330 176.870 -0.104 0.000 1.010 60 L CA -0.550 54.228 54.840 -0.102 0.000 0.814 60 L CB 1.032 43.044 42.059 -0.077 0.000 1.304 60 L HN 0.320 nan 8.230 nan 0.000 0.441 61 G N 1.258 110.001 108.800 -0.095 0.000 2.634 61 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.309 61 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.309 61 G C -1.586 173.254 174.900 -0.099 0.000 1.265 61 G CA 0.224 45.275 45.100 -0.082 0.000 0.998 61 G HN 0.613 nan 8.290 nan 0.000 0.551 62 P HA 0.071 nan 4.420 nan 0.000 0.250 62 P C 1.172 178.422 177.300 -0.083 0.000 1.239 62 P CA 0.894 63.966 63.100 -0.047 0.000 0.756 62 P CB -0.205 31.485 31.700 -0.015 0.000 1.013 63 L N -1.416 119.729 121.223 -0.129 0.000 2.808 63 L HA 0.253 4.593 4.340 -0.000 0.000 0.246 63 L C 1.304 178.013 176.870 -0.269 0.000 1.153 63 L CA -0.397 54.345 54.840 -0.164 0.000 0.956 63 L CB 0.207 42.187 42.059 -0.131 0.000 1.270 63 L HN -0.084 nan 8.230 nan 0.000 0.528 64 R N 0.630 120.928 120.500 -0.337 0.000 2.390 64 R HA 0.163 4.503 4.340 -0.000 0.000 0.291 64 R C -0.254 175.646 176.300 -0.666 0.000 1.070 64 R CA -0.244 55.485 56.100 -0.619 0.000 1.014 64 R CB 0.372 30.179 30.300 -0.822 0.000 1.007 64 R HN 0.062 nan 8.270 nan 0.000 0.466 65 F N 0.077 119.681 119.950 -0.578 0.000 3.043 65 F HA -0.257 4.270 4.527 -0.000 0.000 0.290 65 F C -0.060 174.749 175.800 -1.653 0.000 0.844 65 F CA 1.260 58.616 58.000 -1.073 0.000 1.184 65 F CB -2.665 36.229 39.000 -0.176 0.000 1.246 65 F HN 0.622 nan 8.300 nan 0.000 0.536 66 T N -3.482 110.313 114.554 -1.266 0.000 2.900 66 T HA 0.754 5.104 4.350 -0.000 0.000 0.303 66 T C -3.008 171.398 174.700 -0.490 0.000 1.142 66 T CA -2.489 59.111 62.100 -0.833 0.000 1.007 66 T CB 3.296 71.969 68.868 -0.324 0.000 1.156 66 T HN -0.244 nan 8.240 nan 0.000 0.490 67 P HA 0.184 nan 4.420 nan 0.000 0.264 67 P C -2.255 175.077 177.300 0.053 0.000 1.183 67 P CA -0.620 62.569 63.100 0.150 0.000 0.763 67 P CB -0.236 31.579 31.700 0.192 0.000 0.807 68 P HA 0.004 nan 4.420 nan 0.000 0.268 68 P C -0.788 176.547 177.300 0.058 0.000 1.205 68 P CA 0.319 63.450 63.100 0.051 0.000 0.771 68 P CB 0.792 32.555 31.700 0.104 0.000 0.858 69 Q N 2.959 122.770 119.800 0.019 0.000 2.301 69 Q HA 0.452 4.792 4.340 -0.000 0.000 0.267 69 Q C -2.293 173.729 176.000 0.036 0.000 1.035 69 Q CA -2.310 53.512 55.803 0.031 0.000 0.856 69 Q CB 0.725 29.466 28.738 0.004 0.000 1.337 69 Q HN 0.360 nan 8.270 nan 0.000 0.450 70 P HA -0.094 nan 4.420 nan 0.000 0.267 70 P C -1.163 176.123 177.300 -0.024 0.000 1.195 70 P CA 0.278 63.428 63.100 0.083 0.000 0.773 70 P CB 0.395 32.163 31.700 0.114 0.000 0.837 71 A N 2.261 125.015 122.820 -0.111 0.000 2.340 71 A HA 0.220 4.540 4.320 -0.000 0.000 0.268 71 A C 0.261 177.665 177.584 -0.301 0.000 1.100 71 A CA -0.457 51.465 52.037 -0.191 0.000 0.803 71 A CB 0.025 18.955 19.000 -0.117 0.000 1.043 71 A HN 0.454 nan 8.150 nan 0.000 0.488 72 E N 2.697 122.828 120.200 -0.115 0.000 2.360 72 E HA 0.238 4.588 4.350 -0.000 0.000 0.269 72 E C -2.144 174.443 176.600 -0.020 0.000 1.022 72 E CA -1.448 54.917 56.400 -0.058 0.000 0.887 72 E CB 0.200 29.908 29.700 0.013 0.000 0.990 72 E HN 0.492 nan 8.360 nan 0.000 0.426 73 P HA 0.116 nan 4.420 nan 0.000 0.272 73 P C -0.741 176.612 177.300 0.088 0.000 1.223 73 P CA -0.303 62.742 63.100 -0.091 0.000 0.784 73 P CB 0.357 32.017 31.700 -0.067 0.000 0.923 74 W N 0.836 122.202 121.300 0.109 0.000 2.655 74 W HA 0.626 5.286 4.660 -0.000 0.000 0.358 74 W C 0.473 177.066 176.519 0.125 0.000 1.100 74 W CA -0.576 56.836 57.345 0.112 0.000 1.195 74 W CB -0.264 29.268 29.460 0.120 0.000 1.403 74 W HN 0.167 nan 8.180 nan 0.000 0.589 75 S N 0.608 116.553 115.700 0.408 0.000 2.288 75 S HA 0.093 4.563 4.470 -0.000 0.000 0.191 75 S C 0.954 175.747 174.600 0.323 0.000 1.028 75 S CA 0.202 58.583 58.200 0.302 0.000 1.030 75 S CB -0.621 62.820 63.200 0.402 0.000 0.932 75 S HN 0.380 nan 8.310 nan 0.000 0.463 76 F N 1.954 122.021 119.950 0.196 0.000 1.949 76 F HA 0.118 4.645 4.527 -0.000 0.000 0.229 76 F C 0.805 176.747 175.800 0.237 0.000 1.008 76 F CA -0.673 57.427 58.000 0.167 0.000 1.218 76 F CB -0.653 38.412 39.000 0.108 0.000 1.903 76 F HN -0.065 nan 8.300 nan 0.000 0.507 77 V N 1.359 121.511 119.914 0.397 0.000 2.408 77 V HA 0.101 4.221 4.120 -0.000 0.000 0.267 77 V C 0.194 176.386 176.094 0.163 0.000 1.047 77 V CA -0.967 61.495 62.300 0.271 0.000 0.937 77 V CB 0.432 32.373 31.823 0.197 0.000 0.999 77 V HN 0.324 nan 8.190 nan 0.000 0.472 78 K N 4.756 125.222 120.400 0.110 0.000 2.220 78 K HA 0.119 4.439 4.320 -0.000 0.000 0.283 78 K C 0.358 176.923 176.600 -0.059 0.000 1.098 78 K CA -0.149 56.041 56.287 -0.162 0.000 0.928 78 K CB -0.013 32.099 32.500 -0.647 0.000 1.214 78 K HN 0.624 nan 8.250 nan 0.000 0.442 79 N N 2.115 120.783 118.700 -0.052 0.000 2.394 79 N HA -0.101 4.639 4.740 -0.000 0.000 0.277 79 N C -0.541 174.931 175.510 -0.063 0.000 1.346 79 N CA 0.227 53.252 53.050 -0.043 0.000 0.910 79 N CB 0.490 38.943 38.487 -0.057 0.000 1.201 79 N HN 0.454 nan 8.380 nan 0.000 0.488 80 A N 3.058 125.866 122.820 -0.019 0.000 3.158 80 A HA 0.257 4.577 4.320 -0.000 0.000 0.319 80 A C 0.256 177.781 177.584 -0.098 0.000 1.204 80 A CA -0.475 51.550 52.037 -0.021 0.000 0.992 80 A CB 0.047 19.126 19.000 0.133 0.000 1.110 80 A HN 0.444 nan 8.150 nan 0.000 0.519 81 T N -0.409 114.055 114.554 -0.149 0.000 3.448 81 T HA 0.382 4.732 4.350 -0.000 0.000 0.271 81 T C -0.201 174.349 174.700 -0.250 0.000 1.002 81 T CA -0.094 61.879 62.100 -0.212 0.000 0.995 81 T CB -0.055 68.709 68.868 -0.173 0.000 1.153 81 T HN 0.296 nan 8.240 nan 0.000 0.510 82 S N 0.761 116.297 115.700 -0.273 0.000 2.572 82 S HA 0.527 4.997 4.470 -0.000 0.000 0.274 82 S C -1.402 173.034 174.600 -0.273 0.000 1.150 82 S CA -0.640 57.401 58.200 -0.264 0.000 0.944 82 S CB 0.726 63.817 63.200 -0.181 0.000 1.071 82 S HN 0.336 nan 8.310 nan 0.000 0.479 83 Y N 4.691 124.920 120.300 -0.117 0.000 2.544 83 Y HA 0.217 4.767 4.550 -0.000 0.000 0.330 83 Y C -1.540 174.242 175.900 -0.196 0.000 1.136 83 Y CA -1.336 56.693 58.100 -0.119 0.000 1.417 83 Y CB 0.127 38.540 38.460 -0.079 0.000 1.229 83 Y HN 0.405 nan 8.280 nan 0.000 0.532 84 P HA 0.136 nan 4.420 nan 0.000 0.271 84 P C -2.663 174.531 177.300 -0.177 0.000 1.216 84 P CA -1.425 61.463 63.100 -0.354 0.000 0.776 84 P CB 0.877 32.325 31.700 -0.420 0.000 0.881 85 P HA 0.121 nan 4.420 nan 0.000 0.270 85 P C -0.052 177.203 177.300 -0.075 0.000 1.223 85 P CA 0.312 63.343 63.100 -0.115 0.000 0.785 85 P CB 0.239 31.872 31.700 -0.111 0.000 0.923 86 M N -0.124 119.421 119.600 -0.091 0.000 2.478 86 M HA 0.470 4.950 4.480 -0.000 0.000 0.327 86 M C -0.551 175.674 176.300 -0.126 0.000 1.187 86 M CA -0.721 54.522 55.300 -0.094 0.000 1.022 86 M CB 0.521 33.054 32.600 -0.112 0.000 1.629 86 M HN 0.128 nan 8.290 nan 0.000 0.461 87 c N 1.477 119.999 118.600 -0.129 0.000 2.665 87 c HA 0.091 4.661 4.570 -0.000 0.000 0.416 87 c C 0.930 174.835 174.090 -0.309 0.000 1.305 87 c CA -0.332 55.869 56.329 -0.212 0.000 1.903 87 c CB -0.640 41.771 42.510 -0.166 0.000 2.704 87 c HN 0.849 nan 8.230 nan 0.000 0.629 88 T N 4.152 118.370 114.554 -0.559 0.000 2.778 88 T HA 0.225 4.575 4.350 -0.000 0.000 0.282 88 T C 0.149 174.549 174.700 -0.500 0.000 0.983 88 T CA 0.511 62.197 62.100 -0.690 0.000 1.193 88 T CB -0.381 67.676 68.868 -1.352 0.000 0.938 88 T HN 0.870 nan 8.240 nan 0.000 0.523 89 Q N 1.466 121.139 119.800 -0.212 0.000 3.019 89 Q HA 0.511 4.851 4.340 -0.000 0.000 0.337 89 Q C -1.324 174.681 176.000 0.008 0.000 0.900 89 Q CA -1.233 54.553 55.803 -0.029 0.000 0.800 89 Q CB 0.949 29.679 28.738 -0.013 0.000 1.437 89 Q HN 0.296 nan 8.270 nan 0.000 0.505 90 D N 1.950 122.379 120.400 0.049 0.000 2.336 90 D HA 0.135 4.775 4.640 -0.000 0.000 0.249 90 D C -1.422 174.879 176.300 0.001 0.000 1.213 90 D CA -2.051 51.971 54.000 0.036 0.000 0.870 90 D CB 1.221 42.053 40.800 0.052 0.000 1.076 90 D HN 0.275 nan 8.370 nan 0.000 0.483 91 P HA -0.231 nan 4.420 nan 0.000 0.215 91 P C 1.342 178.627 177.300 -0.025 0.000 1.157 91 P CA 1.285 64.368 63.100 -0.027 0.000 0.874 91 P CB 0.510 32.194 31.700 -0.027 0.000 0.790 92 K N 0.044 120.434 120.400 -0.015 0.000 2.009 92 K HA -0.122 4.198 4.320 -0.000 0.000 0.210 92 K C 2.341 178.929 176.600 -0.020 0.000 1.049 92 K CA 1.801 58.079 56.287 -0.015 0.000 0.929 92 K CB -0.809 31.686 32.500 -0.008 0.000 0.714 92 K HN -0.014 nan 8.250 nan 0.000 0.440 93 A N 0.452 123.262 122.820 -0.016 0.000 1.902 93 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 93 A C 2.351 179.909 177.584 -0.043 0.000 1.181 93 A CA 1.987 54.008 52.037 -0.026 0.000 0.623 93 A CB -1.339 17.657 19.000 -0.007 0.000 0.818 93 A HN 0.568 nan 8.150 nan 0.000 0.443 94 G N -0.803 107.974 108.800 -0.037 0.000 2.459 94 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.217 94 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.217 94 G C 1.645 176.506 174.900 -0.065 0.000 1.183 94 G CA 1.141 46.210 45.100 -0.051 0.000 0.776 94 G HN 0.644 nan 8.290 nan 0.000 0.552 95 Q N -0.578 119.189 119.800 -0.055 0.000 2.124 95 Q HA -0.084 4.256 4.340 -0.000 0.000 0.202 95 Q C 2.428 178.399 176.000 -0.049 0.000 0.977 95 Q CA 1.159 56.929 55.803 -0.055 0.000 0.850 95 Q CB -0.198 28.515 28.738 -0.042 0.000 0.901 95 Q HN 0.390 nan 8.270 nan 0.000 0.429 96 L N 0.475 121.671 121.223 -0.045 0.000 1.973 96 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 96 L C 2.239 179.069 176.870 -0.067 0.000 1.073 96 L CA 1.572 56.389 54.840 -0.037 0.000 0.746 96 L CB -0.995 41.043 42.059 -0.036 0.000 0.891 96 L HN 0.397 nan 8.230 nan 0.000 0.433 97 L N -0.819 120.328 121.223 -0.127 0.000 2.043 97 L HA -0.248 4.092 4.340 -0.000 0.000 0.212 97 L C 2.729 179.464 176.870 -0.225 0.000 1.075 97 L CA 2.238 56.919 54.840 -0.265 0.000 0.752 97 L CB -0.952 40.930 42.059 -0.296 0.000 0.891 97 L HN 0.510 nan 8.230 nan 0.000 0.432 98 S N -1.374 114.249 115.700 -0.128 0.000 2.423 98 S HA -0.176 4.294 4.470 -0.000 0.000 0.231 98 S C 1.862 176.427 174.600 -0.059 0.000 1.014 98 S CA 1.327 59.467 58.200 -0.099 0.000 0.965 98 S CB -0.316 62.817 63.200 -0.112 0.000 0.785 98 S HN 0.639 nan 8.310 nan 0.000 0.495 99 E N 0.298 120.483 120.200 -0.024 0.000 2.107 99 E HA 0.019 4.369 4.350 -0.000 0.000 0.191 99 E C 1.743 178.406 176.600 0.106 0.000 0.982 99 E CA 1.102 57.514 56.400 0.020 0.000 0.809 99 E CB -0.084 29.630 29.700 0.024 0.000 0.756 99 E HN 0.548 nan 8.360 nan 0.000 0.459 100 L N -0.501 120.816 121.223 0.157 0.000 2.509 100 L HA 0.065 4.405 4.340 -0.000 0.000 0.222 100 L C 1.444 178.620 176.870 0.510 0.000 1.123 100 L CA 0.104 55.145 54.840 0.333 0.000 0.856 100 L CB 0.079 42.340 42.059 0.336 0.000 0.985 100 L HN 0.065 nan 8.230 nan 0.000 0.456 101 F N -0.394 119.526 119.950 -0.050 0.000 2.694 101 F HA 0.153 4.680 4.527 0.000 0.000 0.292 101 F C 1.799 177.318 175.800 -0.467 0.000 1.121 101 F CA -0.537 57.313 58.000 -0.249 0.000 1.352 101 F CB -0.238 38.632 39.000 -0.216 0.000 1.107 101 F HN -0.169 nan 8.300 nan 0.000 0.597 102 T N 1.444 115.893 114.554 -0.174 0.000 2.855 102 T HA -0.049 4.301 4.350 -0.000 0.000 0.322 102 T C 1.154 175.744 174.700 -0.183 0.000 1.088 102 T CA 0.431 62.357 62.100 -0.291 0.000 1.104 102 T CB 0.318 69.078 68.868 -0.179 0.000 0.996 102 T HN 0.427 nan 8.240 nan 0.000 0.549 103 N N 1.797 120.370 118.700 -0.212 0.000 2.159 103 N HA 0.061 4.801 4.740 -0.000 0.000 0.217 103 N C 0.304 175.779 175.510 -0.059 0.000 1.223 103 N CA -0.474 52.551 53.050 -0.042 0.000 0.896 103 N CB 0.182 38.628 38.487 -0.068 0.000 1.064 103 N HN 0.710 nan 8.380 nan 0.000 0.518 104 R N 0.993 121.427 120.500 -0.109 0.000 2.549 104 R HA 0.378 4.718 4.340 -0.000 0.000 0.259 104 R C 1.285 177.524 176.300 -0.102 0.000 1.095 104 R CA -0.744 55.304 56.100 -0.087 0.000 1.148 104 R CB 0.991 31.242 30.300 -0.081 0.000 1.181 104 R HN -0.092 nan 8.270 nan 0.000 0.571 105 K N 0.482 120.834 120.400 -0.080 0.000 1.965 105 K HA -0.207 4.113 4.320 -0.000 0.000 0.220 105 K C 0.046 176.600 176.600 -0.076 0.000 1.046 105 K CA 1.575 57.810 56.287 -0.086 0.000 0.974 105 K CB -0.554 31.918 32.500 -0.048 0.000 0.738 105 K HN 0.774 nan 8.250 nan 0.000 0.444 106 E N 1.349 121.516 120.200 -0.055 0.000 2.277 106 E HA 0.119 4.468 4.350 -0.000 0.000 0.274 106 E C -1.001 175.556 176.600 -0.071 0.000 1.022 106 E CA -0.877 55.492 56.400 -0.052 0.000 0.853 106 E CB 1.005 30.684 29.700 -0.034 0.000 1.086 106 E HN 0.293 nan 8.360 nan 0.000 0.397 107 N N 3.167 121.824 118.700 -0.071 0.000 2.488 107 N HA 0.086 4.826 4.740 -0.000 0.000 0.274 107 N C -0.571 174.876 175.510 -0.105 0.000 1.111 107 N CA -0.633 52.360 53.050 -0.095 0.000 0.974 107 N CB 0.552 38.995 38.487 -0.073 0.000 1.089 107 N HN 0.447 nan 8.380 nan 0.000 0.465 108 I N 5.496 125.969 120.570 -0.162 0.000 2.301 108 I HA 0.227 4.397 4.170 -0.000 0.000 0.292 108 I C -1.847 174.178 176.117 -0.152 0.000 1.046 108 I CA -2.338 58.858 61.300 -0.173 0.000 1.282 108 I CB 0.420 38.218 38.000 -0.337 0.000 1.409 108 I HN 0.402 nan 8.210 nan 0.000 0.484 109 P HA 0.263 nan 4.420 nan 0.000 0.271 109 P C -0.489 176.763 177.300 -0.079 0.000 1.233 109 P CA -0.027 63.026 63.100 -0.079 0.000 0.764 109 P CB 1.172 32.840 31.700 -0.053 0.000 0.825 110 L N 2.950 124.120 121.223 -0.088 0.000 2.578 110 L HA 0.565 4.905 4.340 -0.000 0.000 0.259 110 L C 0.981 177.808 176.870 -0.073 0.000 1.082 110 L CA -1.106 53.684 54.840 -0.083 0.000 0.843 110 L CB 0.654 42.651 42.059 -0.102 0.000 1.535 110 L HN 0.252 nan 8.230 nan 0.000 0.510 111 K N 0.333 120.687 120.400 -0.077 0.000 2.395 111 K HA 0.636 4.956 4.320 -0.000 0.000 0.247 111 K C -1.439 175.104 176.600 -0.096 0.000 0.973 111 K CA -0.735 55.505 56.287 -0.079 0.000 0.828 111 K CB 2.290 34.746 32.500 -0.073 0.000 1.272 111 K HN 0.308 nan 8.250 nan 0.000 0.439 112 L N 0.865 122.026 121.223 -0.102 0.000 2.343 112 L HA 0.563 4.903 4.340 -0.000 0.000 0.275 112 L C 0.040 176.821 176.870 -0.148 0.000 1.056 112 L CA -0.456 54.301 54.840 -0.139 0.000 0.804 112 L CB 1.612 43.585 42.059 -0.144 0.000 1.203 112 L HN 0.605 nan 8.230 nan 0.000 0.440 113 S N 0.059 115.642 115.700 -0.195 0.000 2.678 113 S HA 0.107 4.577 4.470 -0.000 0.000 0.290 113 S C 0.085 174.543 174.600 -0.236 0.000 1.047 113 S CA -0.624 57.468 58.200 -0.180 0.000 0.851 113 S CB 1.226 64.363 63.200 -0.106 0.000 1.058 113 S HN 0.778 nan 8.310 nan 0.000 0.451 114 E N 1.069 121.122 120.200 -0.244 0.000 2.268 114 E HA -0.092 4.258 4.350 -0.000 0.000 0.195 114 E C -0.154 176.352 176.600 -0.156 0.000 0.995 114 E CA 0.698 56.942 56.400 -0.260 0.000 0.836 114 E CB 0.076 29.677 29.700 -0.165 0.000 0.763 114 E HN 0.507 nan 8.360 nan 0.000 0.491 115 D N 0.136 120.479 120.400 -0.095 0.000 2.483 115 D HA 0.005 4.645 4.640 -0.000 0.000 0.220 115 D C 0.052 176.401 176.300 0.082 0.000 1.173 115 D CA -0.286 53.691 54.000 -0.039 0.000 0.964 115 D CB 0.065 40.872 40.800 0.012 0.000 1.046 115 D HN 0.156 nan 8.370 nan 0.000 0.517 116 c N 2.178 120.776 118.600 -0.002 0.000 3.785 116 c HA 0.365 4.934 4.570 -0.000 0.000 0.312 116 c C 1.060 175.170 174.090 0.033 0.000 1.566 116 c CA -0.627 55.773 56.329 0.118 0.000 1.837 116 c CB -1.282 41.228 42.510 -0.001 0.000 2.826 116 c HN 0.453 nan 8.230 nan 0.000 0.667 117 L N 2.450 123.475 121.223 -0.330 0.000 2.436 117 L HA 0.232 4.572 4.340 -0.000 0.000 0.244 117 L C -0.564 175.710 176.870 -0.993 0.000 1.396 117 L CA 0.664 55.102 54.840 -0.669 0.000 1.217 117 L CB -0.955 40.589 42.059 -0.858 0.000 1.420 117 L HN 0.440 nan 8.230 nan 0.000 0.434 118 Y N 1.124 121.313 120.300 -0.185 0.000 2.650 118 Y HA 0.719 5.269 4.550 -0.000 0.000 0.331 118 Y C -0.008 176.078 175.900 0.311 0.000 1.082 118 Y CA -1.242 56.850 58.100 -0.013 0.000 1.171 118 Y CB 1.710 40.149 38.460 -0.035 0.000 1.326 118 Y HN 0.099 nan 8.280 nan 0.000 0.513 119 L N -0.243 121.184 121.223 0.341 0.000 2.506 119 L HA 0.712 5.052 4.340 -0.000 0.000 0.257 119 L C -1.779 175.141 176.870 0.083 0.000 0.964 119 L CA -1.112 53.829 54.840 0.169 0.000 0.836 119 L CB 1.979 44.002 42.059 -0.059 0.000 1.384 119 L HN 0.423 nan 8.230 nan 0.000 0.410 120 N N 2.714 121.499 118.700 0.143 0.000 2.321 120 N HA 0.729 5.469 4.740 -0.000 0.000 0.299 120 N C -1.040 174.564 175.510 0.156 0.000 1.048 120 N CA -0.286 52.847 53.050 0.138 0.000 0.836 120 N CB 2.588 41.236 38.487 0.268 0.000 1.269 120 N HN 0.707 nan 8.380 nan 0.000 0.486 121 I N 1.165 121.735 120.570 -0.001 0.000 2.648 121 I HA 0.364 4.534 4.170 -0.000 0.000 0.304 121 I C -0.953 175.125 176.117 -0.065 0.000 1.009 121 I CA -0.833 60.489 61.300 0.035 0.000 1.114 121 I CB 1.165 39.021 38.000 -0.241 0.000 1.293 121 I HN 0.337 nan 8.210 nan 0.000 0.449 122 Y N 2.337 122.745 120.300 0.181 0.000 2.488 122 Y HA 0.315 4.865 4.550 -0.000 0.000 0.330 122 Y C 0.111 176.127 175.900 0.194 0.000 1.013 122 Y CA -0.693 57.520 58.100 0.188 0.000 1.304 122 Y CB 1.866 40.423 38.460 0.160 0.000 1.098 122 Y HN 0.363 nan 8.280 nan 0.000 0.498 123 T N 5.110 119.845 114.554 0.302 0.000 2.792 123 T HA 0.419 4.769 4.350 -0.000 0.000 0.280 123 T C -2.515 172.328 174.700 0.238 0.000 0.990 123 T CA -2.297 59.975 62.100 0.286 0.000 0.960 123 T CB 1.323 70.409 68.868 0.363 0.000 0.939 123 T HN 0.321 nan 8.240 nan 0.000 0.439 124 P HA 0.390 nan 4.420 nan 0.000 0.262 124 P C -0.261 177.122 177.300 0.138 0.000 1.651 124 P CA -0.255 62.923 63.100 0.130 0.000 1.119 124 P CB 0.100 31.829 31.700 0.049 0.000 1.552 125 A N 0.171 123.093 122.820 0.170 0.000 2.279 125 A HA 0.438 4.758 4.320 -0.000 0.000 0.303 125 A C -0.307 177.374 177.584 0.161 0.000 1.108 125 A CA -0.348 51.778 52.037 0.149 0.000 0.830 125 A CB 0.195 19.285 19.000 0.150 0.000 1.106 125 A HN -0.069 nan 8.150 nan 0.000 0.493 126 D N 1.207 121.682 120.400 0.125 0.000 2.441 126 D HA 0.367 5.007 4.640 -0.000 0.000 0.221 126 D C 0.654 177.023 176.300 0.115 0.000 1.156 126 D CA -0.233 53.839 54.000 0.120 0.000 0.896 126 D CB 0.093 40.941 40.800 0.079 0.000 1.028 126 D HN 0.301 nan 8.370 nan 0.000 0.509 127 L N 2.537 123.848 121.223 0.147 0.000 2.651 127 L HA -0.079 4.261 4.340 -0.000 0.000 0.236 127 L C 2.457 179.371 176.870 0.073 0.000 1.173 127 L CA 1.250 56.155 54.840 0.108 0.000 0.843 127 L CB -1.232 40.903 42.059 0.126 0.000 0.964 127 L HN 0.469 nan 8.230 nan 0.000 0.454 128 T N -2.888 111.712 114.554 0.077 0.000 2.732 128 T HA -0.050 4.300 4.350 -0.000 0.000 0.261 128 T C 1.068 175.790 174.700 0.035 0.000 1.040 128 T CA 0.453 62.585 62.100 0.053 0.000 1.145 128 T CB -0.118 68.781 68.868 0.051 0.000 0.866 128 T HN 0.315 nan 8.240 nan 0.000 0.427 129 K N 0.908 121.331 120.400 0.038 0.000 2.362 129 K HA 0.479 4.799 4.320 -0.000 0.000 0.245 129 K C -0.358 176.259 176.600 0.027 0.000 1.040 129 K CA -0.821 55.482 56.287 0.028 0.000 0.961 129 K CB 0.651 33.169 32.500 0.029 0.000 1.252 129 K HN -0.001 nan 8.250 nan 0.000 0.503 130 K N 1.817 122.229 120.400 0.021 0.000 2.263 130 K HA 0.189 4.509 4.320 -0.000 0.000 0.282 130 K C -0.876 175.741 176.600 0.029 0.000 1.089 130 K CA -0.313 55.985 56.287 0.019 0.000 0.907 130 K CB 0.421 32.927 32.500 0.009 0.000 1.148 130 K HN 0.390 nan 8.250 nan 0.000 0.470 131 N N 2.255 120.979 118.700 0.041 0.000 2.362 131 N HA 0.308 5.048 4.740 -0.000 0.000 0.298 131 N C -0.547 174.995 175.510 0.052 0.000 1.048 131 N CA -0.619 52.461 53.050 0.051 0.000 0.858 131 N CB 1.702 40.231 38.487 0.071 0.000 1.218 131 N HN 0.247 nan 8.380 nan 0.000 0.488 132 R N 1.666 122.194 120.500 0.047 0.000 2.881 132 R HA 0.405 4.745 4.340 -0.000 0.000 0.331 132 R C -0.428 175.902 176.300 0.050 0.000 1.207 132 R CA -0.321 55.805 56.100 0.044 0.000 1.265 132 R CB -0.207 30.108 30.300 0.025 0.000 1.351 132 R HN 0.472 nan 8.270 nan 0.000 0.613 133 L N 2.003 123.268 121.223 0.069 0.000 2.464 133 L HA 0.337 4.677 4.340 -0.000 0.000 0.264 133 L C -1.602 175.314 176.870 0.076 0.000 1.199 133 L CA -1.694 53.189 54.840 0.072 0.000 0.818 133 L CB 0.304 42.417 42.059 0.090 0.000 1.102 133 L HN 0.101 nan 8.230 nan 0.000 0.473 134 P HA 0.076 nan 4.420 nan 0.000 0.271 134 P C -0.847 176.514 177.300 0.102 0.000 1.216 134 P CA -0.123 63.020 63.100 0.072 0.000 0.776 134 P CB 1.135 32.864 31.700 0.048 0.000 0.881 135 V N 4.583 124.572 119.914 0.125 0.000 2.612 135 V HA 0.448 4.568 4.120 -0.000 0.000 0.301 135 V C 0.662 176.858 176.094 0.170 0.000 1.046 135 V CA -0.485 61.910 62.300 0.157 0.000 0.946 135 V CB 1.316 33.242 31.823 0.170 0.000 1.003 135 V HN 0.529 nan 8.190 nan 0.000 0.459 136 M N 3.744 123.473 119.600 0.216 0.000 2.106 136 M HA 0.433 4.913 4.480 -0.000 0.000 0.288 136 M C -1.326 175.275 176.300 0.502 0.000 0.941 136 M CA -0.441 55.032 55.300 0.287 0.000 0.934 136 M CB 2.005 34.681 32.600 0.127 0.000 1.551 136 M HN 0.383 nan 8.290 nan 0.000 0.437 137 V N 3.345 123.556 119.914 0.494 0.000 2.465 137 V HA 0.357 4.476 4.120 -0.000 0.000 0.279 137 V C -0.674 175.646 176.094 0.378 0.000 1.045 137 V CA -0.396 62.131 62.300 0.379 0.000 0.938 137 V CB 1.435 33.373 31.823 0.191 0.000 0.986 137 V HN 0.851 nan 8.190 nan 0.000 0.467 138 W N 6.827 128.072 121.300 -0.092 0.000 2.475 138 W HA 0.622 5.282 4.660 -0.000 0.000 0.317 138 W C -1.477 174.845 176.519 -0.328 0.000 1.046 138 W CA -1.027 55.965 57.345 -0.587 0.000 1.215 138 W CB 1.500 30.605 29.460 -0.591 0.000 1.335 138 W HN 0.446 nan 8.180 nan 0.000 0.471 139 I N 7.920 127.830 120.570 -1.101 0.000 2.337 139 I HA 0.037 4.207 4.170 -0.000 0.000 0.285 139 I C 1.097 176.447 176.117 -1.279 0.000 1.041 139 I CA -0.739 60.030 61.300 -0.885 0.000 1.199 139 I CB 0.515 38.129 38.000 -0.643 0.000 1.370 139 I HN 0.369 nan 8.210 nan 0.000 0.470 140 H N 5.178 123.734 119.070 -0.857 0.000 2.929 140 H HA 0.239 4.795 4.556 -0.000 0.000 0.358 140 H C -0.112 175.173 175.328 -0.072 0.000 1.111 140 H CA -0.291 55.498 56.048 -0.431 0.000 1.409 140 H CB 0.824 30.664 29.762 0.130 0.000 1.373 140 H HN 0.619 nan 8.280 nan 0.000 0.610 141 G N -0.794 108.031 108.800 0.042 0.000 2.437 141 G HA2 0.482 4.442 3.960 -0.000 0.000 0.319 141 G HA3 0.482 4.442 3.960 -0.000 0.000 0.319 141 G C 0.361 175.385 174.900 0.206 0.000 1.158 141 G CA -0.522 44.625 45.100 0.078 0.000 0.899 141 G HN 0.986 nan 8.290 nan 0.000 0.502 142 G N -1.792 107.072 108.800 0.107 0.000 4.755 142 G HA2 0.465 4.425 3.960 -0.000 0.000 0.220 142 G HA3 0.465 4.425 3.960 -0.000 0.000 0.220 142 G C 0.862 175.786 174.900 0.040 0.000 0.675 142 G CA 0.883 46.042 45.100 0.098 0.000 1.040 142 G HN 2.134 nan 8.290 nan 0.000 0.727 143 G N 0.941 109.758 108.800 0.029 0.000 2.225 143 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.267 143 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.267 143 G C 1.123 175.962 174.900 -0.102 0.000 1.024 143 G CA 0.576 45.658 45.100 -0.029 0.000 0.784 143 G HN 1.584 nan 8.290 nan 0.000 0.507 144 L N -3.709 117.466 121.223 -0.080 0.000 4.429 144 L HA -0.294 4.046 4.340 -0.000 0.000 0.422 144 L C 1.971 178.817 176.870 -0.040 0.000 1.149 144 L CA 1.588 56.348 54.840 -0.135 0.000 0.972 144 L CB -1.601 40.090 42.059 -0.613 0.000 2.059 144 L HN 0.457 nan 8.230 nan 0.000 0.870 145 M N -1.304 118.304 119.600 0.012 0.000 2.532 145 M HA 0.316 4.796 4.480 -0.000 0.000 0.244 145 M C 0.754 177.119 176.300 0.108 0.000 1.390 145 M CA 1.195 56.548 55.300 0.089 0.000 1.132 145 M CB 0.953 33.595 32.600 0.069 0.000 1.466 145 M HN 0.228 nan 8.290 nan 0.000 0.550 146 V N -2.513 117.446 119.914 0.076 0.000 3.167 146 V HA 1.044 5.164 4.120 -0.000 0.000 0.310 146 V C -0.247 175.935 176.094 0.147 0.000 1.207 146 V CA -0.256 62.086 62.300 0.071 0.000 1.059 146 V CB 1.216 33.059 31.823 0.033 0.000 1.079 146 V HN 0.540 nan 8.190 nan 0.000 0.446 147 G N -0.678 108.182 108.800 0.100 0.000 2.440 147 G HA2 0.601 4.561 3.960 -0.000 0.000 0.684 147 G HA3 0.601 4.561 3.960 -0.000 0.000 0.684 147 G C -0.648 174.075 174.900 -0.295 0.000 1.309 147 G CA -0.158 45.004 45.100 0.104 0.000 0.931 147 G HN 2.688 nan 8.290 nan 0.000 0.612 148 A N -1.087 121.308 122.820 -0.707 0.000 2.612 148 A HA 1.030 5.350 4.320 -0.000 0.000 0.293 148 A C 0.721 178.081 177.584 -0.374 0.000 1.075 148 A CA 0.664 52.395 52.037 -0.511 0.000 0.680 148 A CB 0.896 19.770 19.000 -0.210 0.000 1.279 148 A HN 2.564 nan 8.150 nan 0.000 0.411 149 A N 0.157 122.922 122.820 -0.092 0.000 2.067 149 A HA 0.185 4.505 4.320 -0.000 0.000 0.217 149 A C 1.858 179.550 177.584 0.179 0.000 1.156 149 A CA 2.073 54.202 52.037 0.154 0.000 0.683 149 A CB -0.526 18.610 19.000 0.226 0.000 0.808 149 A HN 1.026 nan 8.150 nan 0.000 0.455 150 S N -0.252 115.483 115.700 0.059 0.000 2.474 150 S HA -0.096 4.374 4.470 -0.000 0.000 0.235 150 S C 1.826 176.327 174.600 -0.164 0.000 0.997 150 S CA 1.462 59.638 58.200 -0.040 0.000 0.949 150 S CB -0.368 62.728 63.200 -0.174 0.000 0.766 150 S HN 0.672 nan 8.310 nan 0.000 0.517 151 T N 1.011 115.492 114.554 -0.121 0.000 2.833 151 T HA -0.047 4.303 4.350 -0.000 0.000 0.269 151 T C -0.145 174.271 174.700 -0.473 0.000 1.054 151 T CA 1.093 63.020 62.100 -0.287 0.000 1.135 151 T CB -0.203 68.482 68.868 -0.305 0.000 0.869 151 T HN 0.371 nan 8.240 nan 0.000 0.466 152 Y N 1.307 121.406 120.300 -0.335 0.000 2.331 152 Y HA 0.507 5.057 4.550 -0.000 0.000 0.338 152 Y C -0.135 175.368 175.900 -0.662 0.000 0.992 152 Y CA -2.644 55.013 58.100 -0.738 0.000 1.121 152 Y CB 0.664 38.374 38.460 -1.249 0.000 1.184 152 Y HN -0.118 nan 8.280 nan 0.000 0.469 153 D N 1.833 121.916 120.400 -0.528 0.000 2.329 153 D HA 0.252 4.892 4.640 -0.000 0.000 0.232 153 D C 0.971 176.941 176.300 -0.550 0.000 1.088 153 D CA -0.420 53.321 54.000 -0.431 0.000 0.835 153 D CB 1.489 42.192 40.800 -0.162 0.000 1.078 153 D HN 0.804 nan 8.370 nan 0.000 0.495 154 G N 3.121 111.252 108.800 -1.115 0.000 2.848 154 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.208 154 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.208 154 G C 1.305 176.074 174.900 -0.218 0.000 1.152 154 G CA 0.009 44.766 45.100 -0.571 0.000 0.789 154 G HN 0.511 nan 8.290 nan 0.000 0.531 155 L N 1.447 122.601 121.223 -0.115 0.000 1.997 155 L HA -0.099 4.241 4.340 -0.000 0.000 0.216 155 L C 2.931 179.815 176.870 0.023 0.000 1.074 155 L CA 2.542 57.455 54.840 0.122 0.000 0.763 155 L CB -0.708 41.441 42.059 0.150 0.000 0.890 155 L HN 0.223 nan 8.230 nan 0.000 0.434 156 A N -0.871 121.974 122.820 0.042 0.000 1.828 156 A HA -0.200 4.120 4.320 -0.000 0.000 0.215 156 A C 2.225 179.812 177.584 0.005 0.000 1.203 156 A CA 1.796 53.858 52.037 0.041 0.000 0.614 156 A CB -1.313 17.770 19.000 0.138 0.000 0.844 156 A HN 0.465 nan 8.150 nan 0.000 0.445 157 L N -0.069 121.175 121.223 0.034 0.000 2.064 157 L HA -0.250 4.090 4.340 -0.000 0.000 0.216 157 L C 2.698 179.575 176.870 0.011 0.000 1.077 157 L CA 2.399 57.243 54.840 0.007 0.000 0.766 157 L CB -0.999 41.053 42.059 -0.012 0.000 0.890 157 L HN 0.448 nan 8.230 nan 0.000 0.435 158 A N -0.867 121.968 122.820 0.026 0.000 1.841 158 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 158 A C 2.441 179.985 177.584 -0.067 0.000 1.199 158 A CA 2.538 54.599 52.037 0.040 0.000 0.621 158 A CB -1.374 17.700 19.000 0.124 0.000 0.835 158 A HN 0.579 nan 8.150 nan 0.000 0.445 159 A N -1.623 121.041 122.820 -0.260 0.000 1.858 159 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 159 A C 2.098 179.351 177.584 -0.552 0.000 1.190 159 A CA 1.637 53.291 52.037 -0.639 0.000 0.617 159 A CB -1.080 17.119 19.000 -1.335 0.000 0.827 159 A HN 0.668 nan 8.150 nan 0.000 0.443 160 H N -0.386 118.429 119.070 -0.423 0.000 2.390 160 H HA -0.066 4.490 4.556 -0.000 0.000 0.298 160 H C 0.731 176.090 175.328 0.052 0.000 1.106 160 H CA 1.683 57.732 56.048 0.003 0.000 1.297 160 H CB 0.219 29.878 29.762 -0.173 0.000 1.375 160 H HN 0.426 nan 8.280 nan 0.000 0.509 161 E N 0.079 120.346 120.200 0.111 0.000 2.624 161 E HA 0.028 4.378 4.350 -0.000 0.000 0.210 161 E C -0.308 176.333 176.600 0.069 0.000 0.997 161 E CA -0.360 56.091 56.400 0.085 0.000 0.999 161 E CB -0.398 29.336 29.700 0.056 0.000 1.040 161 E HN 0.396 nan 8.360 nan 0.000 0.469 162 N N 0.925 119.664 118.700 0.065 0.000 2.650 162 N HA -0.193 4.547 4.740 -0.000 0.000 0.272 162 N C -0.779 174.772 175.510 0.069 0.000 1.058 162 N CA 0.450 53.539 53.050 0.066 0.000 0.765 162 N CB -0.574 37.959 38.487 0.077 0.000 0.902 162 N HN -0.013 nan 8.380 nan 0.000 0.551 163 V N -1.922 118.036 119.914 0.074 0.000 3.012 163 V HA 0.544 4.664 4.120 -0.000 0.000 0.307 163 V C 0.248 176.420 176.094 0.130 0.000 1.166 163 V CA -1.069 61.285 62.300 0.092 0.000 0.974 163 V CB 2.030 33.896 31.823 0.072 0.000 1.040 163 V HN -0.108 nan 8.190 nan 0.000 0.428 164 V N 3.566 123.574 119.914 0.156 0.000 2.356 164 V HA 0.249 4.369 4.120 -0.000 0.000 0.258 164 V C 0.314 176.550 176.094 0.236 0.000 1.065 164 V CA -0.182 62.240 62.300 0.203 0.000 0.935 164 V CB 0.926 32.869 31.823 0.200 0.000 1.061 164 V HN 0.703 nan 8.190 nan 0.000 0.484 165 V N 6.316 126.402 119.914 0.286 0.000 2.461 165 V HA 0.332 4.452 4.120 -0.000 0.000 0.275 165 V C 0.127 176.460 176.094 0.399 0.000 1.047 165 V CA -0.303 62.198 62.300 0.334 0.000 0.955 165 V CB 1.445 33.441 31.823 0.288 0.000 0.988 165 V HN 0.557 nan 8.190 nan 0.000 0.471 166 V N 4.462 124.604 119.914 0.379 0.000 2.444 166 V HA 0.507 4.627 4.120 -0.000 0.000 0.294 166 V C 0.169 176.458 176.094 0.326 0.000 1.022 166 V CA -0.452 62.044 62.300 0.326 0.000 0.850 166 V CB 2.183 34.147 31.823 0.235 0.000 0.992 166 V HN 1.011 nan 8.190 nan 0.000 0.426 167 T N 3.941 118.688 114.554 0.322 0.000 2.770 167 T HA 0.777 5.127 4.350 -0.000 0.000 0.283 167 T C -0.347 174.496 174.700 0.238 0.000 0.988 167 T CA -0.516 61.776 62.100 0.320 0.000 0.957 167 T CB 1.204 70.275 68.868 0.339 0.000 0.930 167 T HN 0.627 nan 8.240 nan 0.000 0.443 168 I N 0.434 121.114 120.570 0.184 0.000 2.924 168 I HA 0.674 4.844 4.170 -0.000 0.000 0.316 168 I C -0.658 175.649 176.117 0.317 0.000 1.014 168 I CA -1.288 60.108 61.300 0.159 0.000 1.106 168 I CB 1.796 39.779 38.000 -0.028 0.000 1.311 168 I HN 0.575 nan 8.210 nan 0.000 0.502 169 Q N 1.530 121.583 119.800 0.422 0.000 2.397 169 Q HA 0.508 4.848 4.340 -0.000 0.000 0.275 169 Q C -1.939 174.399 176.000 0.563 0.000 1.090 169 Q CA -0.748 55.333 55.803 0.464 0.000 0.809 169 Q CB 2.930 31.841 28.738 0.289 0.000 1.362 169 Q HN 0.699 nan 8.270 nan 0.000 0.431 170 Y N -2.063 118.391 120.300 0.256 0.000 2.581 170 Y HA 0.598 5.148 4.550 -0.000 0.000 0.345 170 Y C -0.640 175.357 175.900 0.161 0.000 1.036 170 Y CA -1.571 56.648 58.100 0.199 0.000 1.042 170 Y CB 0.761 39.307 38.460 0.144 0.000 1.289 170 Y HN 0.428 nan 8.280 nan 0.000 0.471 171 R N 1.557 122.135 120.500 0.130 0.000 2.640 171 R HA 0.456 4.796 4.340 -0.000 0.000 0.270 171 R C -0.963 175.387 176.300 0.084 0.000 1.024 171 R CA 0.124 56.267 56.100 0.072 0.000 1.085 171 R CB 0.207 30.588 30.300 0.135 0.000 0.963 171 R HN 0.723 nan 8.270 nan 0.000 0.426 172 L N 1.035 122.358 121.223 0.167 0.000 2.309 172 L HA 0.580 4.920 4.340 -0.000 0.000 0.261 172 L C 1.041 178.220 176.870 0.515 0.000 1.021 172 L CA -0.754 54.273 54.840 0.311 0.000 0.823 172 L CB 1.679 43.798 42.059 0.101 0.000 1.366 172 L HN 0.874 nan 8.230 nan 0.000 0.423 173 G N 0.676 109.790 108.800 0.522 0.000 2.582 173 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.288 173 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.288 173 G C 0.772 176.033 174.900 0.602 0.000 1.247 173 G CA 0.513 45.922 45.100 0.515 0.000 0.972 173 G HN 0.680 nan 8.290 nan 0.000 0.557 174 I N -0.657 120.205 120.570 0.486 0.000 2.091 174 I HA -0.218 3.952 4.170 -0.000 0.000 0.239 174 I C 2.756 179.152 176.117 0.465 0.000 1.061 174 I CA 2.534 64.021 61.300 0.311 0.000 1.317 174 I CB -0.407 37.488 38.000 -0.175 0.000 1.031 174 I HN 0.586 nan 8.210 nan 0.000 0.401 175 W N 0.834 122.358 121.300 0.373 0.000 2.389 175 W HA -0.123 4.537 4.660 -0.000 0.000 0.267 175 W C 1.982 178.678 176.519 0.296 0.000 1.219 175 W CA 0.996 58.494 57.345 0.256 0.000 1.189 175 W CB -0.643 28.861 29.460 0.073 0.000 1.129 175 W HN 0.332 nan 8.180 nan 0.000 0.581 176 G N -2.881 106.254 108.800 0.558 0.000 3.146 176 G HA2 0.172 4.132 3.960 -0.000 0.000 0.238 176 G HA3 0.172 4.132 3.960 -0.000 0.000 0.238 176 G C 0.303 175.054 174.900 -0.249 0.000 1.022 176 G CA -0.099 45.125 45.100 0.207 0.000 0.880 176 G HN 0.121 nan 8.290 nan 0.000 0.533 177 F N -0.259 119.936 119.950 0.407 0.000 2.856 177 F HA 0.393 4.920 4.527 -0.000 0.000 0.333 177 F C -0.153 175.705 175.800 0.097 0.000 1.200 177 F CA -1.329 56.747 58.000 0.127 0.000 1.128 177 F CB 0.470 39.505 39.000 0.058 0.000 1.172 177 F HN 0.027 nan 8.300 nan 0.000 0.511 178 F N 3.227 123.326 119.950 0.248 0.000 2.438 178 F HA 0.500 5.027 4.527 -0.000 0.000 0.360 178 F C 0.379 176.174 175.800 -0.008 0.000 1.118 178 F CA -0.625 57.411 58.000 0.061 0.000 1.164 178 F CB 0.359 39.291 39.000 -0.112 0.000 1.131 178 F HN 0.005 nan 8.300 nan 0.000 0.527 179 S N 2.597 117.887 115.700 -0.685 0.000 2.513 179 S HA 0.360 4.830 4.470 -0.000 0.000 0.299 179 S C 0.478 174.659 174.600 -0.700 0.000 1.087 179 S CA 0.008 57.862 58.200 -0.576 0.000 1.012 179 S CB 1.490 64.486 63.200 -0.340 0.000 1.044 179 S HN 0.749 nan 8.310 nan 0.000 0.485 180 T N -1.208 113.073 114.554 -0.456 0.000 3.081 180 T HA 0.450 4.800 4.350 -0.000 0.000 0.250 180 T C 1.523 176.134 174.700 -0.148 0.000 1.100 180 T CA 0.663 62.595 62.100 -0.280 0.000 1.038 180 T CB -0.471 68.354 68.868 -0.072 0.000 0.962 180 T HN 1.997 nan 8.240 nan 0.000 0.516 181 G N 1.622 110.332 108.800 -0.150 0.000 2.234 181 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.235 181 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.235 181 G C -0.221 174.642 174.900 -0.062 0.000 0.997 181 G CA 0.160 45.199 45.100 -0.102 0.000 0.623 181 G HN 0.801 nan 8.290 nan 0.000 0.514 182 D N -0.561 119.822 120.400 -0.029 0.000 2.666 182 D HA 0.554 5.194 4.640 -0.000 0.000 0.252 182 D C 1.328 177.605 176.300 -0.039 0.000 1.143 182 D CA -0.120 53.866 54.000 -0.023 0.000 1.096 182 D CB 0.201 41.014 40.800 0.021 0.000 1.260 182 D HN 0.043 nan 8.370 nan 0.000 0.633 183 E N 0.012 120.146 120.200 -0.111 0.000 2.516 183 E HA -0.192 4.158 4.350 -0.000 0.000 0.199 183 E C 0.536 177.079 176.600 -0.095 0.000 1.069 183 E CA 0.925 57.256 56.400 -0.114 0.000 0.876 183 E CB -0.443 29.161 29.700 -0.160 0.000 0.843 183 E HN 0.498 nan 8.360 nan 0.000 0.530 184 H N 0.561 119.685 119.070 0.090 0.000 2.556 184 H HA 0.174 4.730 4.556 0.000 0.000 0.268 184 H C 0.182 175.629 175.328 0.198 0.000 0.996 184 H CA 0.909 57.031 56.048 0.123 0.000 1.157 184 H CB 0.445 30.264 29.762 0.096 0.000 1.355 184 H HN 0.151 nan 8.280 nan 0.000 0.597 185 S N -0.316 115.565 115.700 0.301 0.000 3.436 185 S HA 0.062 4.532 4.470 -0.000 0.000 0.119 185 S C 0.821 175.521 174.600 0.167 0.000 0.846 185 S CA -0.545 57.922 58.200 0.444 0.000 0.817 185 S CB -0.408 63.029 63.200 0.395 0.000 1.390 185 S HN 0.243 nan 8.310 nan 0.000 0.649 186 R N 1.343 121.870 120.500 0.044 0.000 2.139 186 R HA 0.189 4.529 4.340 -0.000 0.000 0.243 186 R C 1.575 177.598 176.300 -0.462 0.000 1.145 186 R CA 1.444 57.428 56.100 -0.193 0.000 0.976 186 R CB -0.285 29.917 30.300 -0.164 0.000 0.866 186 R HN 1.000 nan 8.270 nan 0.000 0.449 187 G N -0.479 107.679 108.800 -1.071 0.000 2.526 187 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.250 187 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.250 187 G C -0.567 173.512 174.900 -1.369 0.000 1.289 187 G CA -0.375 43.878 45.100 -1.412 0.000 0.947 187 G HN 0.259 nan 8.290 nan 0.000 0.517 188 N N -1.206 117.050 118.700 -0.739 0.000 2.782 188 N HA -0.193 4.547 4.740 -0.000 0.000 0.251 188 N C 1.307 176.667 175.510 -0.250 0.000 1.101 188 N CA 1.916 54.799 53.050 -0.278 0.000 0.764 188 N CB -1.643 36.794 38.487 -0.083 0.000 1.122 188 N HN 0.720 nan 8.380 nan 0.000 0.561 189 W N 0.796 121.993 121.300 -0.171 0.000 2.315 189 W HA -0.193 4.467 4.660 -0.000 0.000 0.323 189 W C 2.561 178.960 176.519 -0.201 0.000 1.233 189 W CA 0.745 58.016 57.345 -0.124 0.000 1.267 189 W CB -0.845 28.573 29.460 -0.070 0.000 1.160 189 W HN 0.284 nan 8.180 nan 0.000 0.474 190 G N -0.002 108.587 108.800 -0.352 0.000 2.513 190 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.219 190 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.219 190 G C 1.193 176.100 174.900 0.012 0.000 1.160 190 G CA 1.609 46.571 45.100 -0.231 0.000 0.767 190 G HN 0.314 nan 8.290 nan 0.000 0.571 191 H N 0.168 119.251 119.070 0.023 0.000 2.389 191 H HA 0.104 4.660 4.556 -0.000 0.000 0.299 191 H C 2.780 178.138 175.328 0.051 0.000 1.081 191 H CA 0.902 56.976 56.048 0.043 0.000 1.345 191 H CB -0.259 29.540 29.762 0.061 0.000 1.393 191 H HN 0.285 nan 8.280 nan 0.000 0.520 192 L N 0.397 121.748 121.223 0.215 0.000 2.201 192 L HA -0.144 4.196 4.340 -0.000 0.000 0.212 192 L C 1.958 178.952 176.870 0.208 0.000 1.105 192 L CA 0.823 55.785 54.840 0.203 0.000 0.775 192 L CB -0.151 42.060 42.059 0.253 0.000 0.913 192 L HN 0.077 nan 8.230 nan 0.000 0.440 193 D N -0.345 120.191 120.400 0.227 0.000 2.144 193 D HA -0.156 4.484 4.640 -0.000 0.000 0.200 193 D C 2.328 178.781 176.300 0.255 0.000 0.978 193 D CA 0.961 55.136 54.000 0.291 0.000 0.833 193 D CB 0.005 40.996 40.800 0.319 0.000 0.961 193 D HN 0.392 nan 8.370 nan 0.000 0.470 194 Q N 0.091 119.968 119.800 0.129 0.000 2.046 194 Q HA -0.059 4.281 4.340 -0.000 0.000 0.200 194 Q C 2.365 178.366 176.000 0.003 0.000 0.975 194 Q CA 0.864 56.659 55.803 -0.012 0.000 0.836 194 Q CB -0.022 28.636 28.738 -0.133 0.000 0.896 194 Q HN 0.160 nan 8.270 nan 0.000 0.428 195 V N 1.404 121.356 119.914 0.063 0.000 2.407 195 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 195 V C 2.319 178.471 176.094 0.097 0.000 1.055 195 V CA 1.775 64.121 62.300 0.077 0.000 1.049 195 V CB -1.071 30.814 31.823 0.103 0.000 0.662 195 V HN 0.381 nan 8.190 nan 0.000 0.455 196 A N 0.315 123.220 122.820 0.142 0.000 1.858 196 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 196 A C 2.492 180.164 177.584 0.148 0.000 1.190 196 A CA 2.228 54.384 52.037 0.198 0.000 0.617 196 A CB -1.028 18.153 19.000 0.302 0.000 0.827 196 A HN 0.580 nan 8.150 nan 0.000 0.443 197 A N -0.369 122.395 122.820 -0.094 0.000 1.917 197 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 197 A C 2.183 179.695 177.584 -0.120 0.000 1.182 197 A CA 1.688 53.355 52.037 -0.617 0.000 0.633 197 A CB -0.717 17.519 19.000 -1.274 0.000 0.819 197 A HN 0.504 nan 8.150 nan 0.000 0.448 198 L N -1.392 119.809 121.223 -0.037 0.000 2.127 198 L HA -0.217 4.123 4.340 -0.000 0.000 0.211 198 L C 2.879 179.817 176.870 0.113 0.000 1.089 198 L CA 1.490 56.363 54.840 0.055 0.000 0.757 198 L CB -0.381 41.715 42.059 0.061 0.000 0.899 198 L HN 0.406 nan 8.230 nan 0.000 0.434 199 R N -1.441 119.137 120.500 0.131 0.000 2.092 199 R HA -0.212 4.128 4.340 -0.000 0.000 0.231 199 R C 2.050 178.450 176.300 0.166 0.000 1.119 199 R CA 1.684 57.865 56.100 0.135 0.000 0.970 199 R CB -0.371 30.017 30.300 0.145 0.000 0.864 199 R HN 0.408 nan 8.270 nan 0.000 0.440 200 W N 0.593 121.920 121.300 0.046 0.000 2.363 200 W HA -0.175 4.485 4.660 0.000 0.000 0.296 200 W C 1.649 178.194 176.519 0.043 0.000 1.212 200 W CA 1.038 58.427 57.345 0.073 0.000 1.260 200 W CB -0.024 29.500 29.460 0.106 0.000 1.131 200 W HN -0.227 nan 8.180 nan 0.000 0.530 201 V N 0.447 120.560 119.914 0.332 0.000 2.307 201 V HA -0.310 3.810 4.120 -0.000 0.000 0.245 201 V C 2.270 178.380 176.094 0.027 0.000 1.045 201 V CA 2.170 64.594 62.300 0.207 0.000 1.024 201 V CB -0.919 31.029 31.823 0.209 0.000 0.651 201 V HN 0.221 nan 8.190 nan 0.000 0.449 202 Q N -0.944 118.879 119.800 0.038 0.000 2.466 202 Q HA -0.120 4.220 4.340 -0.000 0.000 0.210 202 Q C 0.893 176.860 176.000 -0.054 0.000 0.961 202 Q CA 0.621 56.432 55.803 0.014 0.000 0.953 202 Q CB 0.116 28.878 28.738 0.041 0.000 1.011 202 Q HN 0.640 nan 8.270 nan 0.000 0.516 203 D N -1.190 119.119 120.400 -0.152 0.000 2.457 203 D HA 0.065 4.705 4.640 -0.000 0.000 0.254 203 D C 0.771 176.875 176.300 -0.327 0.000 1.097 203 D CA 0.157 54.025 54.000 -0.219 0.000 0.870 203 D CB 0.654 41.312 40.800 -0.235 0.000 1.253 203 D HN 0.220 nan 8.370 nan 0.000 0.500 204 N N 0.400 118.803 118.700 -0.496 0.000 2.474 204 N HA 0.013 4.753 4.740 -0.000 0.000 0.224 204 N C 1.767 177.160 175.510 -0.195 0.000 1.092 204 N CA -0.147 52.608 53.050 -0.492 0.000 0.844 204 N CB 0.729 38.611 38.487 -1.009 0.000 1.381 204 N HN -0.024 nan 8.380 nan 0.000 0.458 205 I N 2.767 123.249 120.570 -0.146 0.000 2.358 205 I HA -0.301 3.869 4.170 -0.000 0.000 0.257 205 I C 2.062 178.260 176.117 0.135 0.000 1.123 205 I CA 0.825 62.188 61.300 0.104 0.000 1.393 205 I CB -0.286 37.772 38.000 0.096 0.000 1.073 205 I HN 0.158 nan 8.210 nan 0.000 0.437 206 A N -1.358 121.480 122.820 0.031 0.000 2.024 206 A HA -0.192 4.128 4.320 -0.000 0.000 0.220 206 A C 2.395 179.983 177.584 0.008 0.000 1.164 206 A CA 2.101 54.150 52.037 0.020 0.000 0.643 206 A CB -0.766 18.221 19.000 -0.021 0.000 0.806 206 A HN 0.473 nan 8.150 nan 0.000 0.451 207 S N -1.657 114.024 115.700 -0.032 0.000 2.527 207 S HA 0.153 4.623 4.470 -0.000 0.000 0.222 207 S C 0.821 175.290 174.600 -0.219 0.000 0.985 207 S CA 0.242 58.359 58.200 -0.138 0.000 0.921 207 S CB -0.307 62.753 63.200 -0.233 0.000 0.772 207 S HN 0.563 nan 8.310 nan 0.000 0.529 208 F N 1.050 120.984 119.950 -0.027 0.000 2.727 208 F HA 0.329 4.856 4.527 -0.000 0.000 0.302 208 F C 1.740 177.582 175.800 0.069 0.000 1.097 208 F CA 0.175 58.182 58.000 0.011 0.000 1.330 208 F CB 0.397 39.402 39.000 0.009 0.000 1.084 208 F HN 0.293 nan 8.300 nan 0.000 0.578 209 G N 0.208 109.113 108.800 0.175 0.000 2.159 209 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.227 209 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.227 209 G C 0.484 175.468 174.900 0.139 0.000 0.986 209 G CA -0.280 44.905 45.100 0.142 0.000 0.651 209 G HN 0.694 nan 8.290 nan 0.000 0.523 210 G N -0.477 108.415 108.800 0.153 0.000 2.434 210 G HA2 0.529 4.489 3.960 -0.000 0.000 0.330 210 G HA3 0.529 4.489 3.960 -0.000 0.000 0.330 210 G C -0.412 174.543 174.900 0.093 0.000 1.155 210 G CA -0.148 45.030 45.100 0.131 0.000 0.917 210 G HN 0.616 nan 8.290 nan 0.000 0.493 211 N N 1.180 119.929 118.700 0.082 0.000 2.527 211 N HA 0.311 5.051 4.740 -0.000 0.000 0.236 211 N C -1.176 174.380 175.510 0.076 0.000 0.999 211 N CA -2.284 50.801 53.050 0.058 0.000 0.935 211 N CB 1.801 40.310 38.487 0.036 0.000 1.132 211 N HN 0.118 nan 8.380 nan 0.000 0.511 212 P HA -0.008 nan 4.420 nan 0.000 0.234 212 P C 0.574 177.971 177.300 0.162 0.000 1.162 212 P CA 0.622 63.783 63.100 0.103 0.000 0.759 212 P CB 0.019 31.753 31.700 0.056 0.000 0.813 213 G N -1.229 107.613 108.800 0.070 0.000 3.393 213 G HA2 0.096 4.056 3.960 -0.000 0.000 0.255 213 G HA3 0.096 4.056 3.960 -0.000 0.000 0.255 213 G C 0.575 175.293 174.900 -0.303 0.000 1.097 213 G CA 0.054 45.105 45.100 -0.081 0.000 0.780 213 G HN 0.287 nan 8.290 nan 0.000 0.540 214 S N 0.216 115.928 115.700 0.020 0.000 2.828 214 S HA 0.297 4.767 4.470 -0.000 0.000 0.240 214 S C -0.129 174.610 174.600 0.232 0.000 0.912 214 S CA -0.334 57.901 58.200 0.059 0.000 1.100 214 S CB 0.002 63.196 63.200 -0.011 0.000 1.271 214 S HN -0.010 nan 8.310 nan 0.000 0.476 215 V N 2.417 122.591 119.914 0.435 0.000 2.614 215 V HA 0.435 4.555 4.120 -0.000 0.000 0.291 215 V C 0.407 176.647 176.094 0.242 0.000 1.049 215 V CA 0.039 62.502 62.300 0.271 0.000 1.038 215 V CB 1.316 33.269 31.823 0.216 0.000 0.980 215 V HN 0.502 nan 8.190 nan 0.000 0.481 216 T N 5.999 120.671 114.554 0.197 0.000 2.847 216 T HA 0.590 4.940 4.350 -0.000 0.000 0.291 216 T C -0.251 174.588 174.700 0.232 0.000 0.998 216 T CA -0.231 61.978 62.100 0.182 0.000 0.967 216 T CB 0.936 69.864 68.868 0.101 0.000 0.954 216 T HN 0.638 nan 8.240 nan 0.000 0.441 217 I N 1.497 122.168 120.570 0.169 0.000 2.385 217 I HA 0.897 5.067 4.170 -0.000 0.000 0.294 217 I C -0.911 175.401 176.117 0.325 0.000 0.988 217 I CA -0.995 60.403 61.300 0.162 0.000 1.265 217 I CB 0.914 38.777 38.000 -0.229 0.000 1.388 217 I HN 0.500 nan 8.210 nan 0.000 0.480 218 F N 2.896 122.866 119.950 0.033 0.000 2.631 218 F HA 1.003 5.530 4.527 0.000 0.000 0.308 218 F C -0.438 175.315 175.800 -0.078 0.000 1.097 218 F CA -1.411 56.643 58.000 0.091 0.000 0.952 218 F CB 1.245 40.416 39.000 0.286 0.000 1.307 218 F HN 0.821 nan 8.300 nan 0.000 0.450 219 G N 0.564 109.224 108.800 -0.233 0.000 2.646 219 G HA2 0.506 4.466 3.960 -0.000 0.000 0.291 219 G HA3 0.506 4.466 3.960 -0.000 0.000 0.291 219 G C -2.536 172.151 174.900 -0.356 0.000 1.445 219 G CA -0.818 43.748 45.100 -0.889 0.000 0.814 219 G HN 0.921 nan 8.290 nan 0.000 0.495 220 E N 0.367 120.331 120.200 -0.393 0.000 2.222 220 E HA 0.597 4.947 4.350 -0.000 0.000 0.267 220 E C 0.603 177.242 176.600 0.065 0.000 0.884 220 E CA 0.328 56.745 56.400 0.029 0.000 0.764 220 E CB 2.086 31.927 29.700 0.235 0.000 1.169 220 E HN 0.968 nan 8.360 nan 0.000 0.413 221 S N 3.221 119.019 115.700 0.163 0.000 4.140 221 S HA -0.399 4.071 4.470 -0.000 0.000 0.618 221 S C 1.511 176.198 174.600 0.145 0.000 1.896 221 S CA 2.236 60.614 58.200 0.296 0.000 4.240 221 S CB -1.713 61.744 63.200 0.428 0.000 0.208 221 S HN 1.075 nan 8.310 nan 0.000 0.487 222 A N 1.136 124.019 122.820 0.105 0.000 1.978 222 A HA 0.136 4.456 4.320 -0.000 0.000 0.220 222 A C 2.528 180.072 177.584 -0.067 0.000 1.170 222 A CA 2.564 54.608 52.037 0.012 0.000 0.636 222 A CB -1.605 17.397 19.000 0.004 0.000 0.810 222 A HN 1.653 nan 8.150 nan 0.000 0.448 223 G N -0.753 107.954 108.800 -0.153 0.000 2.403 223 G HA2 0.097 4.057 3.960 -0.000 0.000 0.216 223 G HA3 0.097 4.057 3.960 -0.000 0.000 0.216 223 G C 1.508 176.273 174.900 -0.224 0.000 1.154 223 G CA 1.107 46.009 45.100 -0.330 0.000 0.784 223 G HN 0.681 nan 8.290 nan 0.000 0.538 224 G N 0.406 109.143 108.800 -0.105 0.000 2.442 224 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.219 224 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.219 224 G C 1.582 176.481 174.900 -0.003 0.000 1.141 224 G CA 1.223 46.316 45.100 -0.013 0.000 0.763 224 G HN 0.437 nan 8.290 nan 0.000 0.554 225 E N 0.875 121.070 120.200 -0.008 0.000 2.028 225 E HA -0.092 4.258 4.350 -0.000 0.000 0.190 225 E C 2.737 179.324 176.600 -0.022 0.000 0.984 225 E CA 1.178 57.571 56.400 -0.012 0.000 0.800 225 E CB -0.321 29.370 29.700 -0.015 0.000 0.758 225 E HN 0.333 nan 8.360 nan 0.000 0.448 226 S N 0.628 116.323 115.700 -0.009 0.000 2.365 226 S HA -0.184 4.286 4.470 -0.000 0.000 0.225 226 S C 2.199 176.729 174.600 -0.116 0.000 1.039 226 S CA 1.528 59.743 58.200 0.026 0.000 1.033 226 S CB -0.565 62.576 63.200 -0.098 0.000 0.887 226 S HN 0.140 nan 8.310 nan 0.000 0.447 227 V N 1.507 121.327 119.914 -0.156 0.000 2.214 227 V HA -0.248 3.872 4.120 -0.000 0.000 0.247 227 V C 2.607 178.593 176.094 -0.179 0.000 1.051 227 V CA 2.214 64.396 62.300 -0.197 0.000 1.003 227 V CB -1.244 30.506 31.823 -0.122 0.000 0.635 227 V HN 0.610 nan 8.190 nan 0.000 0.447 228 S N -0.457 115.201 115.700 -0.070 0.000 2.393 228 S HA -0.254 4.216 4.470 -0.000 0.000 0.234 228 S C 1.912 176.447 174.600 -0.108 0.000 1.064 228 S CA 2.308 60.476 58.200 -0.053 0.000 1.088 228 S CB -0.458 62.772 63.200 0.050 0.000 0.939 228 S HN 0.336 nan 8.310 nan 0.000 0.448 229 V N 2.073 121.908 119.914 -0.131 0.000 2.287 229 V HA -0.182 3.938 4.120 -0.000 0.000 0.248 229 V C 2.408 178.419 176.094 -0.138 0.000 1.053 229 V CA 2.104 64.297 62.300 -0.177 0.000 1.027 229 V CB -0.824 30.792 31.823 -0.345 0.000 0.646 229 V HN 0.515 nan 8.190 nan 0.000 0.447 230 L N -0.318 120.814 121.223 -0.152 0.000 2.131 230 L HA -0.127 4.213 4.340 -0.000 0.000 0.210 230 L C 2.439 179.364 176.870 0.091 0.000 1.092 230 L CA 0.835 55.630 54.840 -0.074 0.000 0.759 230 L CB -0.749 41.176 42.059 -0.224 0.000 0.903 230 L HN 0.209 nan 8.230 nan 0.000 0.435 231 V N 0.150 120.062 119.914 -0.004 0.000 2.407 231 V HA -0.260 3.860 4.120 -0.000 0.000 0.248 231 V C 2.269 178.468 176.094 0.175 0.000 1.055 231 V CA 1.635 63.993 62.300 0.095 0.000 1.049 231 V CB -0.310 31.358 31.823 -0.258 0.000 0.662 231 V HN 0.365 nan 8.190 nan 0.000 0.455 232 L N -0.831 120.458 121.223 0.110 0.000 2.168 232 L HA 0.087 4.427 4.340 -0.000 0.000 0.203 232 L C 1.544 178.520 176.870 0.176 0.000 1.078 232 L CA 0.461 55.385 54.840 0.140 0.000 0.780 232 L CB -0.338 41.721 42.059 0.001 0.000 0.939 232 L HN 0.224 nan 8.230 nan 0.000 0.451 233 S N 0.544 116.305 115.700 0.102 0.000 2.575 233 S HA 0.015 4.485 4.470 -0.000 0.000 0.295 233 S C -1.539 173.187 174.600 0.211 0.000 1.267 233 S CA -1.014 57.246 58.200 0.099 0.000 1.074 233 S CB 0.746 63.970 63.200 0.040 0.000 0.829 233 S HN -0.052 nan 8.310 nan 0.000 0.497 234 P HA 0.015 nan 4.420 nan 0.000 0.223 234 P C 1.117 178.504 177.300 0.144 0.000 1.151 234 P CA 0.704 63.961 63.100 0.261 0.000 0.787 234 P CB 0.115 31.941 31.700 0.208 0.000 0.788 235 L N -1.409 119.883 121.223 0.115 0.000 2.291 235 L HA -0.061 4.279 4.340 -0.000 0.000 0.214 235 L C 2.165 179.099 176.870 0.106 0.000 1.120 235 L CA 1.109 56.006 54.840 0.095 0.000 0.799 235 L CB -0.793 41.318 42.059 0.088 0.000 0.925 235 L HN -0.003 nan 8.230 nan 0.000 0.446 236 A N -0.309 122.598 122.820 0.143 0.000 2.072 236 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 236 A C 1.246 178.880 177.584 0.084 0.000 1.156 236 A CA -0.001 52.166 52.037 0.217 0.000 0.701 236 A CB -0.183 19.070 19.000 0.422 0.000 0.816 236 A HN 0.228 nan 8.150 nan 0.000 0.458 237 K N 1.044 121.448 120.400 0.008 0.000 2.513 237 K HA -0.162 4.158 4.320 -0.000 0.000 0.275 237 K C -0.264 176.262 176.600 -0.123 0.000 1.025 237 K CA 0.923 57.153 56.287 -0.096 0.000 1.125 237 K CB -0.059 32.399 32.500 -0.070 0.000 0.843 237 K HN 0.474 nan 8.250 nan 0.000 0.486 238 N N 2.040 120.620 118.700 -0.199 0.000 2.828 238 N HA -0.229 4.511 4.740 -0.000 0.000 0.248 238 N C 0.317 175.722 175.510 -0.175 0.000 1.044 238 N CA 1.347 54.301 53.050 -0.161 0.000 0.851 238 N CB -1.218 37.227 38.487 -0.071 0.000 1.136 238 N HN 0.585 nan 8.380 nan 0.000 0.572 239 L N -1.293 119.820 121.223 -0.183 0.000 2.513 239 L HA 0.236 4.576 4.340 -0.000 0.000 0.222 239 L C 0.635 177.514 176.870 0.014 0.000 1.096 239 L CA 0.468 55.307 54.840 -0.001 0.000 0.857 239 L CB -0.047 42.113 42.059 0.168 0.000 1.026 239 L HN 0.172 nan 8.230 nan 0.000 0.469 240 F N -4.100 115.628 119.950 -0.369 0.000 2.726 240 F HA 0.514 5.040 4.527 -0.000 0.000 0.324 240 F C 0.526 175.873 175.800 -0.754 0.000 1.140 240 F CA -0.979 56.755 58.000 -0.444 0.000 0.964 240 F CB 0.839 39.731 39.000 -0.180 0.000 1.399 240 F HN -0.159 nan 8.300 nan 0.000 0.491 241 H N -0.785 118.372 119.070 0.145 0.000 3.540 241 H HA 0.410 4.966 4.556 -0.000 0.000 0.259 241 H C -0.692 174.653 175.328 0.029 0.000 1.197 241 H CA -0.159 55.876 56.048 -0.021 0.000 1.136 241 H CB 0.794 30.539 29.762 -0.028 0.000 1.605 241 H HN 0.538 nan 8.280 nan 0.000 0.657 242 R N 0.435 121.087 120.500 0.254 0.000 2.594 242 R HA 0.717 5.057 4.340 -0.000 0.000 0.265 242 R C -1.440 175.027 176.300 0.278 0.000 1.070 242 R CA -0.684 55.525 56.100 0.180 0.000 0.909 242 R CB 2.411 32.700 30.300 -0.017 0.000 1.243 242 R HN 0.097 nan 8.270 nan 0.000 0.455 243 A N 2.783 125.790 122.820 0.311 0.000 2.475 243 A HA 0.814 5.134 4.320 -0.000 0.000 0.301 243 A C -1.058 176.728 177.584 0.337 0.000 1.059 243 A CA -0.762 51.397 52.037 0.203 0.000 0.710 243 A CB 1.363 20.318 19.000 -0.074 0.000 1.288 243 A HN 0.633 nan 8.150 nan 0.000 0.408 244 I N 1.533 122.252 120.570 0.248 0.000 2.468 244 I HA 0.286 4.456 4.170 -0.000 0.000 0.284 244 I C -0.141 176.104 176.117 0.213 0.000 1.038 244 I CA -0.284 61.096 61.300 0.134 0.000 1.083 244 I CB 2.123 40.083 38.000 -0.066 0.000 1.223 244 I HN 0.473 nan 8.210 nan 0.000 0.443 245 S N 5.125 120.921 115.700 0.160 0.000 2.457 245 S HA 0.359 4.829 4.470 -0.000 0.000 0.289 245 S C -0.336 174.341 174.600 0.128 0.000 1.163 245 S CA -0.548 57.730 58.200 0.131 0.000 1.078 245 S CB 0.864 64.128 63.200 0.106 0.000 0.987 245 S HN 0.483 nan 8.310 nan 0.000 0.482 246 E N 1.776 122.090 120.200 0.190 0.000 2.114 246 E HA 0.344 4.694 4.350 -0.000 0.000 0.266 246 E C -0.551 176.131 176.600 0.136 0.000 0.896 246 E CA -0.521 56.021 56.400 0.236 0.000 0.750 246 E CB 1.210 31.141 29.700 0.385 0.000 1.121 246 E HN 0.616 nan 8.360 nan 0.000 0.413 247 S N 1.928 117.677 115.700 0.083 0.000 3.697 247 S HA -0.131 4.339 4.470 -0.000 0.000 0.388 247 S C 0.026 174.875 174.600 0.415 0.000 0.941 247 S CA 0.570 58.833 58.200 0.104 0.000 1.247 247 S CB -1.089 62.037 63.200 -0.123 0.000 0.904 247 S HN 0.949 nan 8.310 nan 0.000 0.518 248 G N -0.897 108.103 108.800 0.332 0.000 2.169 248 G HA2 0.494 4.454 3.960 -0.000 0.000 0.286 248 G HA3 0.494 4.454 3.960 -0.000 0.000 0.286 248 G C -0.809 174.146 174.900 0.092 0.000 1.742 248 G CA 0.019 45.275 45.100 0.261 0.000 0.904 248 G HN 1.410 nan 8.290 nan 0.000 0.735 249 V N -0.533 119.392 119.914 0.019 0.000 3.119 249 V HA 0.949 5.069 4.120 -0.000 0.000 0.311 249 V C 1.383 177.454 176.094 -0.039 0.000 1.259 249 V CA -0.021 62.282 62.300 0.004 0.000 1.067 249 V CB 1.138 32.961 31.823 -0.000 0.000 1.123 249 V HN 1.979 nan 8.190 nan 0.000 0.463 250 A N -0.505 122.297 122.820 -0.029 0.000 2.066 250 A HA 0.147 4.467 4.320 -0.000 0.000 0.218 250 A C 1.582 179.115 177.584 -0.086 0.000 1.157 250 A CA 1.276 53.277 52.037 -0.061 0.000 0.670 250 A CB -0.695 18.273 19.000 -0.053 0.000 0.804 250 A HN 0.799 nan 8.150 nan 0.000 0.453 251 L N 0.356 121.528 121.223 -0.084 0.000 2.612 251 L HA 0.078 4.418 4.340 -0.000 0.000 0.230 251 L C 0.404 177.174 176.870 -0.167 0.000 1.140 251 L CA 0.720 55.491 54.840 -0.115 0.000 0.896 251 L CB -0.410 41.593 42.059 -0.093 0.000 1.065 251 L HN 0.059 nan 8.230 nan 0.000 0.447 252 T N -0.657 113.790 114.554 -0.179 0.000 2.855 252 T HA 0.105 4.455 4.350 -0.000 0.000 0.290 252 T C 1.491 176.048 174.700 -0.239 0.000 0.941 252 T CA 0.012 61.960 62.100 -0.253 0.000 1.030 252 T CB 0.580 69.271 68.868 -0.295 0.000 0.935 252 T HN 0.213 nan 8.240 nan 0.000 0.564 253 S N 3.050 118.597 115.700 -0.256 0.000 2.470 253 S HA -0.205 4.265 4.470 -0.000 0.000 0.255 253 S C 2.331 176.801 174.600 -0.217 0.000 1.058 253 S CA 1.558 59.613 58.200 -0.241 0.000 1.310 253 S CB -0.869 62.163 63.200 -0.280 0.000 1.222 253 S HN 0.608 nan 8.310 nan 0.000 0.431 254 V N 1.485 121.261 119.914 -0.229 0.000 2.467 254 V HA -0.246 3.874 4.120 -0.000 0.000 0.266 254 V C 1.644 177.622 176.094 -0.192 0.000 1.124 254 V CA 2.080 64.259 62.300 -0.201 0.000 1.121 254 V CB -0.456 31.247 31.823 -0.201 0.000 0.695 254 V HN 0.477 nan 8.190 nan 0.000 0.466 255 L N -1.384 119.724 121.223 -0.191 0.000 2.590 255 L HA 0.218 4.558 4.340 -0.000 0.000 0.227 255 L C 0.224 176.999 176.870 -0.159 0.000 1.099 255 L CA -0.052 54.679 54.840 -0.182 0.000 0.872 255 L CB 0.775 42.741 42.059 -0.155 0.000 1.088 255 L HN 0.090 nan 8.230 nan 0.000 0.479 256 V N 1.161 120.987 119.914 -0.147 0.000 2.349 256 V HA 0.289 4.409 4.120 -0.000 0.000 0.284 256 V C -0.282 175.738 176.094 -0.123 0.000 1.014 256 V CA -0.813 61.414 62.300 -0.121 0.000 0.826 256 V CB 1.484 33.238 31.823 -0.115 0.000 1.009 256 V HN -0.004 nan 8.190 nan 0.000 0.431 257 K N 4.660 124.993 120.400 -0.113 0.000 2.262 257 K HA 0.456 4.776 4.320 -0.000 0.000 0.282 257 K C -0.222 176.325 176.600 -0.089 0.000 1.066 257 K CA -0.325 55.900 56.287 -0.103 0.000 0.901 257 K CB 1.484 33.922 32.500 -0.103 0.000 1.089 257 K HN 0.603 nan 8.250 nan 0.000 0.476 258 K N 0.937 121.287 120.400 -0.084 0.000 2.138 258 K HA 0.697 5.017 4.320 -0.000 0.000 0.263 258 K C 0.380 176.945 176.600 -0.059 0.000 0.965 258 K CA -0.769 55.474 56.287 -0.074 0.000 0.868 258 K CB 1.393 33.847 32.500 -0.076 0.000 1.083 258 K HN 0.725 nan 8.250 nan 0.000 0.443 259 G N 1.489 110.256 108.800 -0.056 0.000 2.434 259 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.671 259 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.671 259 G C -1.628 173.242 174.900 -0.049 0.000 1.280 259 G CA -0.948 44.125 45.100 -0.045 0.000 0.975 259 G HN 0.701 nan 8.290 nan 0.000 0.510 260 D N 0.229 120.605 120.400 -0.040 0.000 2.342 260 D HA 0.333 4.973 4.640 -0.000 0.000 0.260 260 D C 1.878 178.147 176.300 -0.053 0.000 1.278 260 D CA 0.620 54.594 54.000 -0.044 0.000 0.910 260 D CB 0.946 41.728 40.800 -0.031 0.000 1.079 260 D HN 1.216 nan 8.370 nan 0.000 0.496 261 V N 2.029 121.898 119.914 -0.075 0.000 3.306 261 V HA -0.015 4.105 4.120 -0.000 0.000 0.264 261 V C 2.172 178.206 176.094 -0.100 0.000 1.149 261 V CA 0.611 62.854 62.300 -0.094 0.000 1.143 261 V CB -0.576 31.168 31.823 -0.133 0.000 0.767 261 V HN 0.305 nan 8.190 nan 0.000 0.476 262 K N 2.247 122.597 120.400 -0.082 0.000 2.077 262 K HA -0.142 4.178 4.320 -0.000 0.000 0.213 262 K C -0.100 176.473 176.600 -0.045 0.000 1.051 262 K CA 2.666 58.912 56.287 -0.068 0.000 0.929 262 K CB -1.784 30.693 32.500 -0.039 0.000 0.715 262 K HN 0.447 nan 8.250 nan 0.000 0.451 263 P HA -0.179 nan 4.420 nan 0.000 0.216 263 P C 1.463 178.763 177.300 -0.000 0.000 1.153 263 P CA 1.179 64.273 63.100 -0.010 0.000 0.858 263 P CB -0.017 31.677 31.700 -0.009 0.000 0.789 264 L N -1.185 120.029 121.223 -0.015 0.000 2.027 264 L HA -0.151 4.189 4.340 -0.000 0.000 0.206 264 L C 2.220 179.107 176.870 0.028 0.000 1.074 264 L CA 1.752 56.597 54.840 0.008 0.000 0.745 264 L CB -0.880 41.167 42.059 -0.020 0.000 0.898 264 L HN -0.050 nan 8.230 nan 0.000 0.433 265 A N -0.172 122.617 122.820 -0.052 0.000 1.865 265 A HA -0.283 4.037 4.320 -0.000 0.000 0.217 265 A C 2.022 179.692 177.584 0.144 0.000 1.191 265 A CA 1.972 53.979 52.037 -0.051 0.000 0.623 265 A CB -0.677 18.132 19.000 -0.319 0.000 0.826 265 A HN 0.545 nan 8.150 nan 0.000 0.444 266 E N -0.922 119.316 120.200 0.064 0.000 2.097 266 E HA -0.284 4.066 4.350 -0.000 0.000 0.196 266 E C 2.323 178.967 176.600 0.073 0.000 1.000 266 E CA 1.514 57.956 56.400 0.070 0.000 0.804 266 E CB -0.172 29.548 29.700 0.033 0.000 0.740 266 E HN 0.770 nan 8.360 nan 0.000 0.454 267 Q N 0.501 120.341 119.800 0.067 0.000 1.993 267 Q HA -0.190 4.150 4.340 -0.000 0.000 0.202 267 Q C 2.317 178.359 176.000 0.070 0.000 0.984 267 Q CA 1.392 57.231 55.803 0.060 0.000 0.837 267 Q CB -0.103 28.671 28.738 0.060 0.000 0.902 267 Q HN 0.306 nan 8.270 nan 0.000 0.423 268 I N 0.622 121.263 120.570 0.119 0.000 2.236 268 I HA -0.346 3.824 4.170 -0.000 0.000 0.249 268 I C 2.422 178.565 176.117 0.043 0.000 1.102 268 I CA 1.090 62.458 61.300 0.113 0.000 1.365 268 I CB -0.590 37.550 38.000 0.233 0.000 1.051 268 I HN 0.263 nan 8.210 nan 0.000 0.420 269 A N 1.538 124.402 122.820 0.073 0.000 1.845 269 A HA -0.174 4.146 4.320 -0.000 0.000 0.215 269 A C 2.293 179.874 177.584 -0.004 0.000 1.195 269 A CA 1.671 53.716 52.037 0.012 0.000 0.616 269 A CB -0.896 18.139 19.000 0.059 0.000 0.832 269 A HN 0.388 nan 8.150 nan 0.000 0.443 270 I N -0.075 120.503 120.570 0.013 0.000 2.194 270 I HA -0.277 3.893 4.170 -0.000 0.000 0.246 270 I C 2.495 178.605 176.117 -0.011 0.000 1.093 270 I CA 1.862 63.163 61.300 0.002 0.000 1.355 270 I CB -0.999 37.007 38.000 0.008 0.000 1.046 270 I HN 0.262 nan 8.210 nan 0.000 0.413 271 T N 0.738 115.284 114.554 -0.013 0.000 2.833 271 T HA -0.123 4.227 4.350 -0.000 0.000 0.269 271 T C 1.877 176.552 174.700 -0.041 0.000 1.054 271 T CA 1.437 63.520 62.100 -0.028 0.000 1.135 271 T CB -0.265 68.582 68.868 -0.034 0.000 0.869 271 T HN 0.526 nan 8.240 nan 0.000 0.466 272 A N 0.482 123.273 122.820 -0.050 0.000 2.208 272 A HA 0.519 4.839 4.320 -0.000 0.000 0.209 272 A C 1.588 179.142 177.584 -0.050 0.000 1.161 272 A CA 0.581 52.580 52.037 -0.063 0.000 0.782 272 A CB -0.605 18.338 19.000 -0.095 0.000 0.816 272 A HN 0.816 nan 8.150 nan 0.000 0.477 273 G N -1.354 107.423 108.800 -0.038 0.000 2.470 273 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.286 273 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.286 273 G C -0.288 174.592 174.900 -0.033 0.000 1.115 273 G CA -0.061 45.021 45.100 -0.031 0.000 1.122 273 G HN 0.670 nan 8.290 nan 0.000 0.522 274 c N 0.813 119.395 118.600 -0.030 0.000 2.547 274 c HA 0.621 5.191 4.570 -0.000 0.000 0.313 274 c C 0.927 175.011 174.090 -0.011 0.000 1.191 274 c CA -1.118 55.194 56.329 -0.029 0.000 1.474 274 c CB 1.610 44.093 42.510 -0.045 0.000 2.081 274 c HN 0.723 nan 8.230 nan 0.000 0.476 275 K N 0.744 121.141 120.400 -0.005 0.000 2.285 275 K HA 0.251 4.571 4.320 -0.000 0.000 0.255 275 K C 0.775 177.382 176.600 0.012 0.000 1.000 275 K CA 0.564 56.853 56.287 0.004 0.000 0.887 275 K CB 0.333 32.837 32.500 0.008 0.000 0.997 275 K HN 0.870 nan 8.250 nan 0.000 0.510 276 T N -3.086 111.476 114.554 0.014 0.000 3.460 276 T HA 0.078 4.428 4.350 -0.000 0.000 0.304 276 T C 0.971 175.680 174.700 0.014 0.000 0.991 276 T CA -0.494 61.618 62.100 0.020 0.000 0.975 276 T CB 0.267 69.150 68.868 0.025 0.000 1.196 276 T HN 0.413 nan 8.240 nan 0.000 0.490 277 T N 3.192 117.751 114.554 0.009 0.000 2.699 277 T HA -0.025 4.325 4.350 -0.000 0.000 0.268 277 T C 1.109 175.808 174.700 -0.002 0.000 1.036 277 T CA 2.090 64.192 62.100 0.004 0.000 1.147 277 T CB -0.311 68.559 68.868 0.002 0.000 0.862 277 T HN 0.894 nan 8.240 nan 0.000 0.446 278 T N -2.329 112.219 114.554 -0.009 0.000 2.853 278 T HA 0.459 4.809 4.350 -0.000 0.000 0.311 278 T C 0.911 175.589 174.700 -0.037 0.000 1.307 278 T CA -0.429 61.654 62.100 -0.027 0.000 1.019 278 T CB 1.804 70.639 68.868 -0.055 0.000 1.264 278 T HN -0.133 nan 8.240 nan 0.000 0.497 279 S N 1.109 116.787 115.700 -0.037 0.000 2.370 279 S HA -0.103 4.367 4.470 -0.000 0.000 0.226 279 S C 2.536 177.071 174.600 -0.109 0.000 1.033 279 S CA 1.328 59.521 58.200 -0.011 0.000 1.011 279 S CB -1.007 62.233 63.200 0.066 0.000 0.852 279 S HN 1.052 nan 8.310 nan 0.000 0.457 280 A N 1.234 123.808 122.820 -0.409 0.000 1.948 280 A HA -0.090 4.230 4.320 -0.000 0.000 0.220 280 A C 2.341 179.842 177.584 -0.139 0.000 1.177 280 A CA 1.840 53.567 52.037 -0.517 0.000 0.636 280 A CB -0.879 17.716 19.000 -0.676 0.000 0.815 280 A HN 0.388 nan 8.150 nan 0.000 0.449 281 V N -0.463 119.410 119.914 -0.068 0.000 2.346 281 V HA -0.253 3.867 4.120 -0.000 0.000 0.244 281 V C 2.543 178.688 176.094 0.085 0.000 1.037 281 V CA 1.786 64.107 62.300 0.036 0.000 1.029 281 V CB -0.825 31.013 31.823 0.026 0.000 0.663 281 V HN 0.543 nan 8.190 nan 0.000 0.454 282 M N 0.115 119.748 119.600 0.054 0.000 2.352 282 M HA -0.253 4.227 4.480 -0.000 0.000 0.260 282 M C 2.298 178.633 176.300 0.058 0.000 1.068 282 M CA 2.250 57.587 55.300 0.061 0.000 1.082 282 M CB -0.839 31.830 32.600 0.116 0.000 1.262 282 M HN 0.252 nan 8.290 nan 0.000 0.444 283 V N -0.240 119.744 119.914 0.117 0.000 2.363 283 V HA -0.338 3.782 4.120 -0.000 0.000 0.254 283 V C 2.285 178.486 176.094 0.179 0.000 1.074 283 V CA 2.514 64.895 62.300 0.135 0.000 1.069 283 V CB -1.226 30.734 31.823 0.229 0.000 0.659 283 V HN 0.504 nan 8.190 nan 0.000 0.455 284 H N -0.604 118.498 119.070 0.053 0.000 2.276 284 H HA -0.184 4.372 4.556 -0.000 0.000 0.301 284 H C 2.395 177.738 175.328 0.024 0.000 1.073 284 H CA 2.180 58.252 56.048 0.041 0.000 1.311 284 H CB -0.875 28.896 29.762 0.015 0.000 1.379 284 H HN 0.434 nan 8.280 nan 0.000 0.494 285 c N 0.315 118.867 118.600 -0.079 0.000 2.413 285 c HA -0.088 4.482 4.570 -0.000 0.000 0.277 285 c C 2.857 176.871 174.090 -0.126 0.000 1.265 285 c CA 0.993 57.227 56.329 -0.158 0.000 1.752 285 c CB -1.559 40.908 42.510 -0.072 0.000 1.998 285 c HN 0.636 nan 8.230 nan 0.000 0.489 286 L N 0.147 121.321 121.223 -0.081 0.000 2.275 286 L HA -0.064 4.276 4.340 -0.000 0.000 0.215 286 L C 2.909 179.789 176.870 0.017 0.000 1.119 286 L CA 1.166 55.964 54.840 -0.070 0.000 0.790 286 L CB -0.593 41.339 42.059 -0.212 0.000 0.919 286 L HN 0.409 nan 8.230 nan 0.000 0.443 287 R N -0.515 120.001 120.500 0.027 0.000 2.119 287 R HA -0.081 4.259 4.340 -0.000 0.000 0.222 287 R C 1.953 178.192 176.300 -0.101 0.000 1.088 287 R CA 0.601 56.670 56.100 -0.053 0.000 0.984 287 R CB -0.117 30.179 30.300 -0.006 0.000 0.884 287 R HN 0.369 nan 8.270 nan 0.000 0.447 288 Q N 0.912 120.630 119.800 -0.137 0.000 2.436 288 Q HA 0.040 4.380 4.340 -0.000 0.000 0.209 288 Q C 0.135 176.079 176.000 -0.092 0.000 0.965 288 Q CA 0.795 56.518 55.803 -0.133 0.000 0.910 288 Q CB 0.097 28.723 28.738 -0.187 0.000 0.980 288 Q HN 0.035 nan 8.270 nan 0.000 0.491 289 K N 2.152 122.500 120.400 -0.088 0.000 2.322 289 K HA 0.122 4.442 4.320 -0.000 0.000 0.283 289 K C 0.470 177.047 176.600 -0.038 0.000 1.042 289 K CA -0.013 56.233 56.287 -0.067 0.000 0.958 289 K CB 0.717 33.166 32.500 -0.086 0.000 0.984 289 K HN 0.186 nan 8.250 nan 0.000 0.473 290 T N -1.790 112.757 114.554 -0.011 0.000 2.860 290 T HA 0.010 4.360 4.350 -0.000 0.000 0.299 290 T C 1.348 176.104 174.700 0.093 0.000 1.045 290 T CA -0.389 61.726 62.100 0.025 0.000 1.071 290 T CB 0.987 69.866 68.868 0.018 0.000 0.985 290 T HN 0.662 nan 8.240 nan 0.000 0.537 291 E N 0.559 120.851 120.200 0.153 0.000 2.085 291 E HA -0.295 4.055 4.350 -0.000 0.000 0.194 291 E C 1.814 178.583 176.600 0.282 0.000 0.994 291 E CA 1.855 58.446 56.400 0.319 0.000 0.801 291 E CB -0.204 29.589 29.700 0.155 0.000 0.743 291 E HN 0.871 nan 8.360 nan 0.000 0.453 292 E N 1.231 121.510 120.200 0.132 0.000 2.051 292 E HA -0.236 4.114 4.350 -0.000 0.000 0.192 292 E C 1.862 178.518 176.600 0.093 0.000 0.991 292 E CA 2.104 58.559 56.400 0.092 0.000 0.799 292 E CB -0.401 29.325 29.700 0.042 0.000 0.748 292 E HN 0.443 nan 8.360 nan 0.000 0.449 293 E N -0.001 120.238 120.200 0.064 0.000 2.118 293 E HA -0.114 4.236 4.350 -0.000 0.000 0.195 293 E C 2.111 178.723 176.600 0.020 0.000 0.992 293 E CA 1.284 57.699 56.400 0.026 0.000 0.804 293 E CB -0.134 29.564 29.700 -0.004 0.000 0.741 293 E HN 0.352 nan 8.360 nan 0.000 0.458 294 L N 0.255 121.509 121.223 0.052 0.000 2.341 294 L HA -0.067 4.272 4.340 -0.000 0.000 0.214 294 L C 2.302 179.225 176.870 0.089 0.000 1.115 294 L CA 0.100 54.901 54.840 -0.065 0.000 0.820 294 L CB -0.100 41.742 42.059 -0.362 0.000 0.944 294 L HN 0.205 nan 8.230 nan 0.000 0.452 295 L N -0.084 121.334 121.223 0.326 0.000 2.109 295 L HA -0.119 4.221 4.340 -0.000 0.000 0.207 295 L C 2.304 179.256 176.870 0.137 0.000 1.086 295 L CA 1.665 56.713 54.840 0.347 0.000 0.760 295 L CB -0.316 41.892 42.059 0.249 0.000 0.910 295 L HN 0.152 nan 8.230 nan 0.000 0.437 296 E N -1.151 119.094 120.200 0.074 0.000 2.150 296 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 296 E C 1.854 178.441 176.600 -0.022 0.000 0.985 296 E CA 1.531 57.941 56.400 0.018 0.000 0.814 296 E CB -0.047 29.657 29.700 0.006 0.000 0.752 296 E HN 0.526 nan 8.360 nan 0.000 0.466 297 T N 0.219 114.753 114.554 -0.033 0.000 2.812 297 T HA -0.082 4.268 4.350 -0.000 0.000 0.264 297 T C 1.905 176.520 174.700 -0.142 0.000 1.042 297 T CA 1.323 63.371 62.100 -0.085 0.000 1.140 297 T CB -0.212 68.599 68.868 -0.095 0.000 0.870 297 T HN 0.132 nan 8.240 nan 0.000 0.445 298 T N 2.214 116.722 114.554 -0.076 0.000 2.977 298 T HA 0.104 4.454 4.350 -0.000 0.000 0.271 298 T C 1.759 176.348 174.700 -0.185 0.000 1.105 298 T CA 0.678 62.717 62.100 -0.102 0.000 1.116 298 T CB -0.216 68.763 68.868 0.185 0.000 0.878 298 T HN 0.274 nan 8.240 nan 0.000 0.509 299 L N -0.065 121.093 121.223 -0.108 0.000 2.200 299 L HA 0.142 4.482 4.340 -0.000 0.000 0.200 299 L C 2.505 179.291 176.870 -0.140 0.000 1.072 299 L CA 0.893 55.677 54.840 -0.094 0.000 0.787 299 L CB -0.276 41.762 42.059 -0.034 0.000 0.957 299 L HN 0.073 nan 8.230 nan 0.000 0.459 300 K N -0.157 120.164 120.400 -0.133 0.000 2.280 300 K HA -0.073 4.247 4.320 -0.000 0.000 0.202 300 K C 1.709 178.198 176.600 -0.186 0.000 1.047 300 K CA 0.946 57.159 56.287 -0.123 0.000 0.942 300 K CB 0.012 32.458 32.500 -0.091 0.000 0.739 300 K HN 0.204 nan 8.250 nan 0.000 0.457 301 M N 1.226 120.622 119.600 -0.341 0.000 2.682 301 M HA -0.007 4.473 4.480 -0.000 0.000 0.235 301 M C -0.461 175.522 176.300 -0.528 0.000 1.114 301 M CA 0.533 55.517 55.300 -0.526 0.000 1.053 301 M CB -0.700 31.281 32.600 -1.032 0.000 1.599 301 M HN -0.018 nan 8.290 nan 0.000 0.520 302 K N 0.680 120.906 120.400 -0.289 0.000 4.989 302 K HA -0.207 4.113 4.320 -0.000 0.000 0.313 302 K C 0.346 176.983 176.600 0.062 0.000 0.687 302 K CA 0.253 56.481 56.287 -0.098 0.000 0.840 302 K CB -1.045 31.435 32.500 -0.033 0.000 2.050 302 K HN 0.361 nan 8.250 nan 0.000 0.358 303 F N 0.297 120.259 119.950 0.019 0.000 2.698 303 F HA -0.051 4.476 4.527 0.000 0.000 0.295 303 F C 1.878 177.685 175.800 0.011 0.000 1.124 303 F CA -0.070 57.940 58.000 0.017 0.000 1.426 303 F CB 0.229 39.247 39.000 0.030 0.000 1.120 303 F HN 0.457 nan 8.300 nan 0.000 0.583 304 L N -1.098 120.246 121.223 0.202 0.000 2.435 304 L HA 0.321 4.661 4.340 -0.000 0.000 0.195 304 L C 0.956 177.882 176.870 0.093 0.000 1.072 304 L CA 0.682 55.588 54.840 0.111 0.000 0.833 304 L CB -0.379 41.728 42.059 0.079 0.000 1.081 304 L HN -0.337 nan 8.230 nan 0.000 0.485 305 S N 2.272 118.023 115.700 0.084 0.000 2.571 305 S HA 0.133 4.603 4.470 -0.000 0.000 0.297 305 S C -0.027 174.614 174.600 0.068 0.000 1.234 305 S CA -0.202 58.039 58.200 0.068 0.000 1.120 305 S CB -0.590 62.636 63.200 0.045 0.000 0.923 305 S HN 0.268 nan 8.310 nan 0.000 0.504 306 L N 4.069 125.338 121.223 0.076 0.000 2.578 306 L HA 0.013 4.353 4.340 -0.000 0.000 0.279 306 L C 0.421 177.294 176.870 0.005 0.000 1.227 306 L CA 0.494 55.362 54.840 0.047 0.000 0.900 306 L CB 0.238 42.328 42.059 0.051 0.000 1.144 306 L HN 0.459 nan 8.230 nan 0.000 0.496 307 D N 4.313 124.710 120.400 -0.006 0.000 2.374 307 D HA 0.113 4.753 4.640 -0.000 0.000 0.240 307 D C 1.092 177.360 176.300 -0.053 0.000 1.229 307 D CA 0.011 53.999 54.000 -0.021 0.000 0.895 307 D CB 0.517 41.308 40.800 -0.015 0.000 1.046 307 D HN 0.455 nan 8.370 nan 0.000 0.498 308 L N 2.048 123.242 121.223 -0.050 0.000 1.924 308 L HA -0.182 4.158 4.340 -0.000 0.000 0.234 308 L C 1.665 178.500 176.870 -0.058 0.000 1.090 308 L CA 1.231 56.035 54.840 -0.060 0.000 0.816 308 L CB -0.828 41.205 42.059 -0.043 0.000 0.901 308 L HN 0.510 nan 8.230 nan 0.000 0.433 309 Q N 1.395 121.174 119.800 -0.035 0.000 2.479 309 Q HA 0.322 4.662 4.340 -0.000 0.000 0.267 309 Q C -0.086 175.893 176.000 -0.036 0.000 1.071 309 Q CA 0.889 56.678 55.803 -0.023 0.000 0.935 309 Q CB 0.920 29.654 28.738 -0.008 0.000 1.295 309 Q HN 0.555 nan 8.270 nan 0.000 0.476 310 G N 1.738 110.522 108.800 -0.026 0.000 2.497 310 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.686 310 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.686 310 G C -1.458 173.402 174.900 -0.066 0.000 1.288 310 G CA -0.279 44.800 45.100 -0.035 0.000 0.899 310 G HN 0.795 nan 8.290 nan 0.000 0.608 311 D N 1.051 121.415 120.400 -0.060 0.000 2.352 311 D HA 0.379 5.019 4.640 -0.000 0.000 0.245 311 D C -0.747 175.396 176.300 -0.261 0.000 1.224 311 D CA -1.534 52.410 54.000 -0.093 0.000 0.879 311 D CB 1.370 42.164 40.800 -0.010 0.000 1.057 311 D HN 0.005 nan 8.370 nan 0.000 0.491 312 P HA -0.182 nan 4.420 nan 0.000 0.217 312 P C 1.480 178.505 177.300 -0.457 0.000 1.151 312 P CA 0.687 63.432 63.100 -0.591 0.000 0.849 312 P CB 0.285 31.341 31.700 -1.073 0.000 0.787 313 R N 0.327 120.426 120.500 -0.670 0.000 2.113 313 R HA -0.161 4.179 4.340 -0.000 0.000 0.244 313 R C 0.929 177.140 176.300 -0.148 0.000 1.142 313 R CA 1.498 57.288 56.100 -0.516 0.000 0.953 313 R CB -0.949 29.111 30.300 -0.400 0.000 0.860 313 R HN 0.423 nan 8.270 nan 0.000 0.438 314 E N 0.064 120.190 120.200 -0.124 0.000 2.354 314 E HA 0.123 4.473 4.350 -0.000 0.000 0.252 314 E C -0.716 175.860 176.600 -0.040 0.000 1.330 314 E CA -0.081 56.287 56.400 -0.053 0.000 1.658 314 E CB 0.582 30.259 29.700 -0.038 0.000 1.460 314 E HN -0.073 nan 8.360 nan 0.000 0.435 315 S N 1.704 117.381 115.700 -0.038 0.000 2.279 315 S HA 0.085 4.555 4.470 -0.000 0.000 0.176 315 S C -0.572 174.029 174.600 0.001 0.000 1.554 315 S CA -0.653 57.537 58.200 -0.017 0.000 1.242 315 S CB 0.657 63.829 63.200 -0.047 0.000 1.163 315 S HN 0.257 nan 8.310 nan 0.000 0.449 316 Q N 4.712 124.520 119.800 0.013 0.000 2.263 316 Q HA 0.209 4.549 4.340 -0.000 0.000 0.270 316 Q C -1.306 174.675 176.000 -0.032 0.000 1.104 316 Q CA -1.200 54.589 55.803 -0.024 0.000 0.909 316 Q CB 0.776 29.493 28.738 -0.034 0.000 1.214 316 Q HN 0.236 nan 8.270 nan 0.000 0.400 317 P HA -0.034 nan 4.420 nan 0.000 0.219 317 P C -0.658 176.492 177.300 -0.249 0.000 1.150 317 P CA 0.747 63.809 63.100 -0.064 0.000 0.814 317 P CB 0.162 31.829 31.700 -0.054 0.000 0.787 318 L N -4.258 116.720 121.223 -0.408 0.000 2.643 318 L HA 0.393 4.733 4.340 -0.000 0.000 0.256 318 L C -0.755 175.808 176.870 -0.512 0.000 0.931 318 L CA -1.197 53.240 54.840 -0.671 0.000 0.895 318 L CB 0.489 42.308 42.059 -0.400 0.000 1.430 318 L HN -0.319 nan 8.230 nan 0.000 0.419 319 L N 2.073 122.972 121.223 -0.540 0.000 2.485 319 L HA 0.724 5.064 4.340 -0.000 0.000 0.275 319 L C 0.941 177.615 176.870 -0.326 0.000 1.207 319 L CA 0.644 55.318 54.840 -0.277 0.000 0.855 319 L CB 0.083 42.092 42.059 -0.083 0.000 1.114 319 L HN 1.007 nan 8.230 nan 0.000 0.485 320 G N 0.945 109.581 108.800 -0.273 0.000 3.086 320 G HA2 0.424 4.384 3.960 -0.000 0.000 0.282 320 G HA3 0.424 4.384 3.960 -0.000 0.000 0.282 320 G C -0.899 173.888 174.900 -0.188 0.000 1.343 320 G CA -0.559 44.314 45.100 -0.378 0.000 0.895 320 G HN 0.425 nan 8.290 nan 0.000 0.557 321 T N 0.344 114.843 114.554 -0.091 0.000 2.905 321 T HA 0.352 4.702 4.350 -0.000 0.000 0.299 321 T C 0.395 175.113 174.700 0.030 0.000 1.024 321 T CA 0.217 62.405 62.100 0.146 0.000 1.151 321 T CB 0.736 69.685 68.868 0.134 0.000 0.987 321 T HN 0.418 nan 8.240 nan 0.000 0.535 322 V N 3.366 123.299 119.914 0.032 0.000 3.166 322 V HA 0.455 4.575 4.120 -0.000 0.000 0.317 322 V C 0.135 176.186 176.094 -0.071 0.000 1.136 322 V CA -1.132 61.137 62.300 -0.052 0.000 1.035 322 V CB 1.911 33.679 31.823 -0.093 0.000 1.110 322 V HN 0.668 nan 8.190 nan 0.000 0.450 323 I N 3.031 123.550 120.570 -0.085 0.000 2.276 323 I HA 0.227 4.397 4.170 -0.000 0.000 0.290 323 I C 0.442 176.505 176.117 -0.089 0.000 1.109 323 I CA -0.069 61.181 61.300 -0.084 0.000 1.229 323 I CB 0.350 38.303 38.000 -0.078 0.000 1.452 323 I HN 0.831 nan 8.210 nan 0.000 0.497 324 D N 3.201 123.544 120.400 -0.095 0.000 2.339 324 D HA 0.063 4.703 4.640 -0.000 0.000 0.217 324 D C 1.455 177.713 176.300 -0.069 0.000 1.050 324 D CA 0.547 54.487 54.000 -0.100 0.000 0.856 324 D CB 0.507 41.224 40.800 -0.139 0.000 0.922 324 D HN 0.669 nan 8.370 nan 0.000 0.518 325 G N 0.466 109.229 108.800 -0.061 0.000 2.302 325 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.263 325 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.263 325 G C 1.091 175.972 174.900 -0.032 0.000 0.995 325 G CA 0.959 46.031 45.100 -0.047 0.000 0.622 325 G HN 0.321 nan 8.290 nan 0.000 0.538 326 M N -1.091 118.492 119.600 -0.029 0.000 2.351 326 M HA 0.341 4.821 4.480 -0.000 0.000 0.250 326 M C 2.504 178.803 176.300 -0.001 0.000 1.145 326 M CA 1.400 56.697 55.300 -0.004 0.000 1.192 326 M CB -0.970 31.636 32.600 0.009 0.000 1.267 326 M HN 0.262 nan 8.290 nan 0.000 0.467 327 L N 0.230 121.443 121.223 -0.016 0.000 2.131 327 L HA 0.133 4.473 4.340 -0.000 0.000 0.206 327 L C 0.268 177.112 176.870 -0.043 0.000 1.087 327 L CA 1.144 55.974 54.840 -0.017 0.000 0.767 327 L CB 0.315 42.354 42.059 -0.032 0.000 0.917 327 L HN 0.127 nan 8.230 nan 0.000 0.441 328 L N -0.247 120.938 121.223 -0.062 0.000 2.406 328 L HA 0.220 4.560 4.340 -0.000 0.000 0.270 328 L C 0.475 177.300 176.870 -0.074 0.000 0.982 328 L CA -0.399 54.394 54.840 -0.078 0.000 0.843 328 L CB 1.921 43.921 42.059 -0.098 0.000 1.225 328 L HN 0.045 nan 8.230 nan 0.000 0.412 329 L N 2.758 123.933 121.223 -0.079 0.000 2.275 329 L HA -0.041 4.299 4.340 -0.000 0.000 0.215 329 L C 0.741 177.564 176.870 -0.079 0.000 1.119 329 L CA 1.299 56.094 54.840 -0.075 0.000 0.790 329 L CB -0.366 41.642 42.059 -0.084 0.000 0.919 329 L HN 0.621 nan 8.230 nan 0.000 0.443 330 K N -1.987 118.359 120.400 -0.090 0.000 2.615 330 K HA 0.286 4.606 4.320 -0.000 0.000 0.291 330 K C -0.472 176.076 176.600 -0.088 0.000 1.017 330 K CA -0.642 55.594 56.287 -0.084 0.000 0.882 330 K CB 0.659 33.111 32.500 -0.082 0.000 1.522 330 K HN -0.137 nan 8.250 nan 0.000 0.412 331 T N -1.206 113.300 114.554 -0.080 0.000 2.898 331 T HA -0.001 4.349 4.350 -0.000 0.000 0.331 331 T C -1.777 172.873 174.700 -0.085 0.000 1.085 331 T CA -0.325 61.726 62.100 -0.083 0.000 1.129 331 T CB -0.049 68.772 68.868 -0.078 0.000 1.054 331 T HN 0.353 nan 8.240 nan 0.000 0.540 332 P HA -0.101 nan 4.420 nan 0.000 0.212 332 P C 1.551 178.814 177.300 -0.062 0.000 1.178 332 P CA 1.376 64.430 63.100 -0.075 0.000 0.915 332 P CB -0.011 31.643 31.700 -0.076 0.000 0.788 333 E N -0.074 120.089 120.200 -0.063 0.000 2.068 333 E HA -0.273 4.077 4.350 -0.000 0.000 0.207 333 E C 2.045 178.617 176.600 -0.046 0.000 1.032 333 E CA 1.681 58.051 56.400 -0.050 0.000 0.839 333 E CB -0.740 28.924 29.700 -0.061 0.000 0.758 333 E HN 0.385 nan 8.360 nan 0.000 0.457 334 E N 0.288 120.454 120.200 -0.057 0.000 2.147 334 E HA -0.236 4.114 4.350 -0.000 0.000 0.199 334 E C 2.151 178.711 176.600 -0.067 0.000 1.005 334 E CA 1.002 57.367 56.400 -0.057 0.000 0.810 334 E CB -0.140 29.522 29.700 -0.063 0.000 0.736 334 E HN 0.262 nan 8.360 nan 0.000 0.460 335 L N 0.705 121.878 121.223 -0.082 0.000 2.005 335 L HA -0.227 4.113 4.340 -0.000 0.000 0.207 335 L C 2.671 179.493 176.870 -0.081 0.000 1.072 335 L CA 1.397 56.169 54.840 -0.114 0.000 0.744 335 L CB -0.592 41.383 42.059 -0.139 0.000 0.895 335 L HN 0.227 nan 8.230 nan 0.000 0.433 336 Q N 0.040 119.820 119.800 -0.034 0.000 2.576 336 Q HA -0.145 4.195 4.340 -0.000 0.000 0.218 336 Q C 1.874 177.881 176.000 0.012 0.000 0.983 336 Q CA 1.095 56.906 55.803 0.014 0.000 0.920 336 Q CB -0.349 28.414 28.738 0.042 0.000 0.973 336 Q HN 0.477 nan 8.270 nan 0.000 0.528 337 A N 1.800 124.613 122.820 -0.012 0.000 1.930 337 A HA -0.112 4.208 4.320 -0.000 0.000 0.215 337 A C 1.326 178.907 177.584 -0.005 0.000 1.176 337 A CA 0.694 52.727 52.037 -0.007 0.000 0.632 337 A CB -0.222 18.768 19.000 -0.018 0.000 0.819 337 A HN 0.525 nan 8.150 nan 0.000 0.445 338 E N 0.232 120.420 120.200 -0.020 0.000 2.409 338 E HA 0.147 4.497 4.350 -0.000 0.000 0.257 338 E C -0.053 176.562 176.600 0.026 0.000 1.150 338 E CA -0.032 56.362 56.400 -0.010 0.000 0.942 338 E CB 0.491 30.164 29.700 -0.046 0.000 0.979 338 E HN 0.382 nan 8.360 nan 0.000 0.447 339 R N 1.226 121.751 120.500 0.042 0.000 2.544 339 R HA 0.147 4.487 4.340 -0.000 0.000 0.303 339 R C -0.163 176.189 176.300 0.087 0.000 0.939 339 R CA -0.083 56.053 56.100 0.059 0.000 1.102 339 R CB 0.304 30.624 30.300 0.033 0.000 1.440 339 R HN 0.412 nan 8.270 nan 0.000 0.532 340 N N 0.842 119.600 118.700 0.097 0.000 3.250 340 N HA 0.132 4.872 4.740 -0.000 0.000 0.307 340 N C -1.241 174.409 175.510 0.232 0.000 1.355 340 N CA 0.217 53.335 53.050 0.113 0.000 1.192 340 N CB 0.062 38.594 38.487 0.075 0.000 1.478 340 N HN 0.012 nan 8.380 nan 0.000 0.543 341 F N -0.741 119.220 119.950 0.019 0.000 2.790 341 F HA 0.372 4.899 4.527 -0.000 0.000 0.337 341 F C -0.150 175.703 175.800 0.088 0.000 1.163 341 F CA -1.318 56.706 58.000 0.040 0.000 0.997 341 F CB 1.066 40.089 39.000 0.038 0.000 1.437 341 F HN 0.063 nan 8.300 nan 0.000 0.512 342 H N 0.224 118.843 119.070 -0.751 0.000 2.562 342 H HA 0.536 5.091 4.556 -0.000 0.000 0.352 342 H C -0.910 174.277 175.328 -0.235 0.000 1.125 342 H CA 0.233 55.968 56.048 -0.521 0.000 1.379 342 H CB 1.094 30.426 29.762 -0.716 0.000 1.464 342 H HN 0.665 nan 8.280 nan 0.000 0.563 343 T N 1.203 115.636 114.554 -0.202 0.000 2.900 343 T HA 0.531 4.881 4.350 -0.000 0.000 0.303 343 T C -0.744 173.840 174.700 -0.193 0.000 1.142 343 T CA -0.724 61.310 62.100 -0.109 0.000 1.007 343 T CB 1.409 70.259 68.868 -0.029 0.000 1.156 343 T HN 0.495 nan 8.240 nan 0.000 0.490 344 V N -2.274 117.653 119.914 0.021 0.000 3.087 344 V HA 0.738 4.858 4.120 -0.000 0.000 0.306 344 V C -3.290 172.923 176.094 0.198 0.000 1.187 344 V CA -3.019 59.284 62.300 0.005 0.000 0.999 344 V CB 1.521 33.276 31.823 -0.114 0.000 1.049 344 V HN 0.717 nan 8.190 nan 0.000 0.431 345 P HA 0.049 nan 4.420 nan 0.000 0.253 345 P C -1.273 176.308 177.300 0.468 0.000 1.170 345 P CA 0.935 64.183 63.100 0.247 0.000 0.806 345 P CB -0.453 31.195 31.700 -0.087 0.000 0.775 346 Y N 4.395 124.838 120.300 0.240 0.000 2.335 346 Y HA 0.501 5.051 4.550 -0.000 0.000 0.338 346 Y C -0.081 175.844 175.900 0.043 0.000 0.977 346 Y CA -1.487 56.621 58.100 0.013 0.000 1.114 346 Y CB 1.115 39.201 38.460 -0.623 0.000 1.182 346 Y HN 0.197 nan 8.280 nan 0.000 0.463 347 M N 7.419 126.955 119.600 -0.107 0.000 2.336 347 M HA 0.630 5.110 4.480 -0.000 0.000 0.342 347 M C -2.141 173.854 176.300 -0.508 0.000 1.128 347 M CA -0.693 54.321 55.300 -0.476 0.000 1.016 347 M CB 1.193 33.161 32.600 -1.052 0.000 1.665 347 M HN 0.450 nan 8.290 nan 0.000 0.445 348 V N 3.744 123.389 119.914 -0.449 0.000 2.686 348 V HA 0.890 5.010 4.120 -0.000 0.000 0.306 348 V C -0.023 175.818 176.094 -0.423 0.000 1.065 348 V CA -0.656 61.380 62.300 -0.441 0.000 0.894 348 V CB 1.559 33.041 31.823 -0.567 0.000 1.004 348 V HN 1.020 nan 8.190 nan 0.000 0.424 349 G N 3.150 111.594 108.800 -0.593 0.000 2.672 349 G HA2 0.913 4.873 3.960 -0.000 0.000 0.292 349 G HA3 0.913 4.873 3.960 -0.000 0.000 0.292 349 G C -1.298 173.162 174.900 -0.733 0.000 1.375 349 G CA -0.641 43.690 45.100 -1.282 0.000 0.890 349 G HN 1.017 nan 8.290 nan 0.000 0.476 350 I N -2.562 117.680 120.570 -0.548 0.000 3.322 350 I HA 0.642 4.812 4.170 -0.000 0.000 0.313 350 I C -0.876 175.238 176.117 -0.005 0.000 1.129 350 I CA -1.410 59.777 61.300 -0.188 0.000 0.963 350 I CB 2.430 40.356 38.000 -0.123 0.000 1.273 350 I HN 0.416 nan 8.210 nan 0.000 0.473 351 N N 1.122 119.846 118.700 0.040 0.000 2.361 351 N HA 0.257 4.997 4.740 -0.000 0.000 0.302 351 N C -0.056 175.523 175.510 0.115 0.000 1.074 351 N CA -0.812 52.336 53.050 0.163 0.000 0.850 351 N CB 2.298 40.886 38.487 0.169 0.000 1.228 351 N HN 0.560 nan 8.380 nan 0.000 0.491 352 K N 1.178 121.662 120.400 0.140 0.000 2.071 352 K HA -0.233 4.087 4.320 -0.000 0.000 0.217 352 K C -0.067 176.591 176.600 0.097 0.000 1.054 352 K CA 1.928 58.274 56.287 0.099 0.000 0.937 352 K CB 0.083 32.633 32.500 0.083 0.000 0.719 352 K HN 0.559 nan 8.250 nan 0.000 0.454 353 Q N -0.211 119.656 119.800 0.112 0.000 2.771 353 Q HA 0.125 4.465 4.340 -0.000 0.000 0.247 353 Q C -0.227 175.844 176.000 0.119 0.000 0.986 353 Q CA -0.413 55.460 55.803 0.117 0.000 0.713 353 Q CB 1.728 30.538 28.738 0.120 0.000 1.241 353 Q HN 0.139 nan 8.270 nan 0.000 0.488 354 E N 0.847 121.096 120.200 0.081 0.000 2.031 354 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 354 E C 0.525 177.174 176.600 0.082 0.000 0.994 354 E CA 1.183 57.597 56.400 0.023 0.000 0.800 354 E CB 0.122 29.686 29.700 -0.227 0.000 0.752 354 E HN 0.492 nan 8.360 nan 0.000 0.447 355 F N 1.361 121.281 119.950 -0.050 0.000 2.757 355 F HA 0.179 4.706 4.527 -0.000 0.000 0.292 355 F C 1.628 177.419 175.800 -0.014 0.000 1.204 355 F CA -0.226 57.726 58.000 -0.081 0.000 1.417 355 F CB 0.088 39.006 39.000 -0.136 0.000 1.001 355 F HN -0.055 nan 8.300 nan 0.000 0.508 356 G N 0.342 109.190 108.800 0.080 0.000 2.464 356 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.214 356 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.214 356 G C 1.068 176.044 174.900 0.126 0.000 1.218 356 G CA 1.300 46.472 45.100 0.121 0.000 0.794 356 G HN 0.627 nan 8.290 nan 0.000 0.542 357 W N -1.092 120.149 121.300 -0.099 0.000 5.070 357 W HA 0.344 5.004 4.660 -0.000 0.000 0.176 357 W C 1.825 178.266 176.519 -0.129 0.000 1.077 357 W CA 0.222 57.505 57.345 -0.104 0.000 1.880 357 W CB -0.546 28.902 29.460 -0.020 0.000 0.615 357 W HN 0.101 nan 8.180 nan 0.000 1.044 358 L N 2.189 123.313 121.223 -0.166 0.000 1.978 358 L HA -0.295 4.044 4.340 -0.000 0.000 0.235 358 L C 2.251 178.813 176.870 -0.514 0.000 1.094 358 L CA 3.220 57.835 54.840 -0.374 0.000 0.814 358 L CB -1.402 40.724 42.059 0.111 0.000 0.911 358 L HN 0.230 nan 8.230 nan 0.000 0.442 359 I N -0.687 119.648 120.570 -0.392 0.000 2.087 359 I HA -0.326 3.844 4.170 -0.000 0.000 0.240 359 I C -0.231 175.561 176.117 -0.543 0.000 1.054 359 I CA 2.098 63.145 61.300 -0.422 0.000 1.311 359 I CB -1.882 35.873 38.000 -0.407 0.000 1.024 359 I HN 0.343 nan 8.210 nan 0.000 0.402 360 P HA -0.183 nan 4.420 nan 0.000 0.214 360 P C 1.180 178.257 177.300 -0.372 0.000 1.163 360 P CA 1.194 63.894 63.100 -0.667 0.000 0.889 360 P CB -0.090 31.156 31.700 -0.756 0.000 0.790 364 M N 0.873 120.443 119.600 -0.051 0.000 2.682 364 M HA 0.076 4.556 4.480 -0.000 0.000 0.235 364 M C 0.405 176.758 176.300 0.087 0.000 1.114 364 M CA 0.430 55.764 55.300 0.056 0.000 1.053 364 M CB -0.008 32.683 32.600 0.150 0.000 1.599 364 M HN 0.313 nan 8.290 nan 0.000 0.520 365 S N -0.071 115.649 115.700 0.035 0.000 3.631 365 S HA -0.192 4.278 4.470 -0.000 0.000 0.366 365 S C -0.181 174.490 174.600 0.118 0.000 0.993 365 S CA 0.190 58.419 58.200 0.048 0.000 1.167 365 S CB -2.086 61.133 63.200 0.032 0.000 0.909 365 S HN 0.506 nan 8.310 nan 0.000 0.478 366 Y N 1.330 121.628 120.300 -0.004 0.000 2.805 366 Y HA 0.102 4.652 4.550 0.000 0.000 0.337 366 Y C -0.579 175.365 175.900 0.074 0.000 1.252 366 Y CA -0.696 57.444 58.100 0.067 0.000 1.515 366 Y CB 0.164 38.690 38.460 0.110 0.000 1.305 366 Y HN 0.100 nan 8.280 nan 0.000 0.600 367 P HA -0.215 nan 4.420 nan 0.000 0.217 367 P C -0.170 177.179 177.300 0.081 0.000 1.151 367 P CA 1.248 64.336 63.100 -0.020 0.000 0.849 367 P CB 0.028 31.654 31.700 -0.123 0.000 0.787 368 L N 0.212 121.550 121.223 0.191 0.000 2.737 368 L HA -0.080 4.260 4.340 -0.000 0.000 0.275 368 L C 0.915 177.874 176.870 0.148 0.000 1.179 368 L CA 0.930 55.890 54.840 0.199 0.000 0.970 368 L CB -0.438 41.808 42.059 0.311 0.000 1.268 368 L HN 0.168 nan 8.230 nan 0.000 0.485 369 S N -0.729 115.033 115.700 0.105 0.000 2.702 369 S HA 0.076 4.546 4.470 -0.000 0.000 0.257 369 S C 0.783 175.425 174.600 0.069 0.000 0.981 369 S CA -0.651 57.602 58.200 0.088 0.000 1.414 369 S CB 0.200 63.444 63.200 0.073 0.000 1.239 369 S HN 0.555 nan 8.310 nan 0.000 0.676 370 E N 1.712 121.950 120.200 0.063 0.000 2.400 370 E HA 0.303 4.653 4.350 -0.000 0.000 0.195 370 E C 1.619 178.251 176.600 0.053 0.000 1.012 370 E CA 0.958 57.388 56.400 0.048 0.000 0.875 370 E CB 0.119 29.840 29.700 0.036 0.000 0.859 370 E HN 0.812 nan 8.360 nan 0.000 0.498 371 G N 1.331 110.172 108.800 0.069 0.000 2.234 371 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.235 371 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.235 371 G C 0.343 175.286 174.900 0.072 0.000 0.997 371 G CA 0.526 45.668 45.100 0.070 0.000 0.623 371 G HN 0.376 nan 8.290 nan 0.000 0.514 372 Q N -1.519 118.319 119.800 0.064 0.000 2.814 372 Q HA 0.869 5.209 4.340 -0.000 0.000 0.322 372 Q C -1.746 174.278 176.000 0.040 0.000 0.888 372 Q CA -1.212 54.626 55.803 0.059 0.000 0.768 372 Q CB 1.953 30.718 28.738 0.046 0.000 1.443 372 Q HN 0.683 nan 8.270 nan 0.000 0.497 373 L N 1.438 122.675 121.223 0.024 0.000 2.545 373 L HA 0.434 4.774 4.340 -0.000 0.000 0.258 373 L C -2.037 174.818 176.870 -0.025 0.000 0.942 373 L CA -0.125 54.700 54.840 -0.025 0.000 0.855 373 L CB 2.231 44.238 42.059 -0.087 0.000 1.374 373 L HN 0.863 nan 8.230 nan 0.000 0.411 374 D N 2.928 123.305 120.400 -0.038 0.000 2.340 374 D HA 0.242 4.882 4.640 -0.000 0.000 0.243 374 D C 0.096 176.377 176.300 -0.032 0.000 0.988 374 D CA -0.429 53.559 54.000 -0.020 0.000 0.959 374 D CB 1.429 42.224 40.800 -0.007 0.000 1.226 374 D HN 0.479 nan 8.370 nan 0.000 0.509 375 Q N 0.732 120.528 119.800 -0.006 0.000 2.047 375 Q HA -0.232 4.108 4.340 -0.000 0.000 0.211 375 Q C 1.673 177.671 176.000 -0.004 0.000 1.005 375 Q CA 1.858 57.663 55.803 0.004 0.000 0.866 375 Q CB -0.472 28.277 28.738 0.018 0.000 0.938 375 Q HN 0.472 nan 8.270 nan 0.000 0.414 376 K N -0.133 120.265 120.400 -0.003 0.000 2.089 376 K HA -0.122 4.198 4.320 -0.000 0.000 0.210 376 K C 2.104 178.702 176.600 -0.003 0.000 1.048 376 K CA 1.919 58.206 56.287 -0.001 0.000 0.926 376 K CB -0.470 32.030 32.500 -0.000 0.000 0.714 376 K HN 0.240 nan 8.250 nan 0.000 0.448 377 T N -0.339 114.200 114.554 -0.025 0.000 2.937 377 T HA 0.046 4.396 4.350 -0.000 0.000 0.260 377 T C 1.775 176.432 174.700 -0.073 0.000 1.051 377 T CA 0.861 62.936 62.100 -0.040 0.000 1.141 377 T CB -0.233 68.598 68.868 -0.061 0.000 0.879 377 T HN 0.297 nan 8.240 nan 0.000 0.459 378 A N 2.662 125.410 122.820 -0.120 0.000 1.892 378 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 378 A C 2.296 179.897 177.584 0.029 0.000 1.188 378 A CA 1.571 53.501 52.037 -0.178 0.000 0.631 378 A CB -0.673 18.258 19.000 -0.115 0.000 0.822 378 A HN 0.313 nan 8.150 nan 0.000 0.447 379 M N -0.074 119.562 119.600 0.060 0.000 2.144 379 M HA -0.130 4.350 4.480 -0.000 0.000 0.260 379 M C 2.437 178.843 176.300 0.178 0.000 1.067 379 M CA 1.982 57.347 55.300 0.107 0.000 1.095 379 M CB -1.741 30.888 32.600 0.048 0.000 1.365 379 M HN 0.598 nan 8.290 nan 0.000 0.406 380 S N 0.381 116.164 115.700 0.139 0.000 2.357 380 S HA -0.040 4.430 4.470 -0.000 0.000 0.221 380 S C 2.013 176.744 174.600 0.218 0.000 1.031 380 S CA 0.752 59.065 58.200 0.189 0.000 0.982 380 S CB -0.057 63.201 63.200 0.096 0.000 0.853 380 S HN 0.420 nan 8.310 nan 0.000 0.458 381 L N 0.552 121.855 121.223 0.133 0.000 2.007 381 L HA 0.015 4.355 4.340 -0.000 0.000 0.205 381 L C 2.502 179.575 176.870 0.339 0.000 1.073 381 L CA 1.117 56.052 54.840 0.159 0.000 0.744 381 L CB -0.534 41.568 42.059 0.072 0.000 0.898 381 L HN 0.349 nan 8.230 nan 0.000 0.435 382 L N -0.570 120.931 121.223 0.464 0.000 2.137 382 L HA -0.310 4.030 4.340 -0.000 0.000 0.213 382 L C 2.054 179.201 176.870 0.462 0.000 1.085 382 L CA 1.873 57.010 54.840 0.495 0.000 0.760 382 L CB -0.652 41.699 42.059 0.486 0.000 0.893 382 L HN 0.393 nan 8.230 nan 0.000 0.434 383 W N 0.364 121.768 121.300 0.173 0.000 2.418 383 W HA -0.222 4.438 4.660 -0.000 0.000 0.319 383 W C 2.173 178.787 176.519 0.158 0.000 1.183 383 W CA 0.963 58.398 57.345 0.151 0.000 1.327 383 W CB -0.041 29.474 29.460 0.092 0.000 1.163 383 W HN -0.025 nan 8.180 nan 0.000 0.479 384 K N 0.592 120.956 120.400 -0.059 0.000 2.519 384 K HA -0.079 4.241 4.320 -0.000 0.000 0.196 384 K C 1.527 178.039 176.600 -0.147 0.000 1.041 384 K CA 1.027 57.136 56.287 -0.297 0.000 0.954 384 K CB -0.085 32.325 32.500 -0.150 0.000 0.774 384 K HN -0.021 nan 8.250 nan 0.000 0.480 385 S N -0.060 115.650 115.700 0.017 0.000 2.605 385 S HA -0.000 4.470 4.470 -0.000 0.000 0.217 385 S C 0.954 175.570 174.600 0.026 0.000 0.958 385 S CA -0.365 57.882 58.200 0.078 0.000 0.919 385 S CB -0.138 63.174 63.200 0.187 0.000 0.780 385 S HN 0.346 nan 8.310 nan 0.000 0.507 386 Y N 3.953 124.148 120.300 -0.176 0.000 2.139 386 Y HA -0.144 4.406 4.550 0.000 0.000 0.282 386 Y C -0.871 174.944 175.900 -0.140 0.000 1.179 386 Y CA 1.809 59.803 58.100 -0.177 0.000 1.161 386 Y CB -0.893 37.287 38.460 -0.466 0.000 0.970 386 Y HN 0.248 nan 8.280 nan 0.000 0.511 387 P HA -0.117 nan 4.420 nan 0.000 0.239 387 P C 0.802 178.042 177.300 -0.100 0.000 1.184 387 P CA 1.407 64.491 63.100 -0.027 0.000 0.760 387 P CB 0.013 31.704 31.700 -0.014 0.000 0.884 388 L N -0.926 120.222 121.223 -0.124 0.000 2.541 388 L HA 0.057 4.397 4.340 -0.000 0.000 0.187 388 L C 2.438 179.169 176.870 -0.233 0.000 1.098 388 L CA 0.484 55.231 54.840 -0.156 0.000 0.846 388 L CB -0.374 41.620 42.059 -0.108 0.000 1.151 388 L HN -0.235 nan 8.230 nan 0.000 0.492 389 V N -4.833 114.945 119.914 -0.227 0.000 3.307 389 V HA 0.106 4.226 4.120 -0.000 0.000 0.253 389 V C 0.942 176.916 176.094 -0.201 0.000 1.149 389 V CA -0.492 61.676 62.300 -0.221 0.000 1.112 389 V CB -0.189 31.511 31.823 -0.205 0.000 0.777 389 V HN 0.571 nan 8.190 nan 0.000 0.464 390 C N 1.197 120.264 119.300 -0.389 0.000 4.388 390 C HA -0.132 4.328 4.460 -0.000 0.000 0.310 390 C C 0.291 175.115 174.990 -0.277 0.000 1.261 390 C CA -0.169 58.378 59.018 -0.785 0.000 2.114 390 C CB -2.881 24.507 27.740 -0.588 0.000 1.281 390 C HN 0.659 nan 8.230 nan 0.000 0.706 391 I N 1.435 122.008 120.570 0.004 0.000 2.354 391 I HA 0.526 4.696 4.170 -0.000 0.000 0.292 391 I C 0.935 177.443 176.117 0.652 0.000 0.989 391 I CA -0.060 61.453 61.300 0.355 0.000 1.188 391 I CB 1.470 39.656 38.000 0.310 0.000 1.342 391 I HN 0.573 nan 8.210 nan 0.000 0.457 392 A N 6.103 129.250 122.820 0.545 0.000 2.483 392 A HA 0.064 4.384 4.320 -0.000 0.000 0.238 392 A C 1.335 179.035 177.584 0.193 0.000 1.070 392 A CA -0.074 52.251 52.037 0.481 0.000 0.770 392 A CB 0.237 19.396 19.000 0.264 0.000 1.008 392 A HN 0.907 nan 8.150 nan 0.000 0.497 393 K N 0.530 120.727 120.400 -0.340 0.000 2.360 393 K HA -0.165 4.155 4.320 -0.000 0.000 0.201 393 K C 1.434 177.820 176.600 -0.357 0.000 1.046 393 K CA 1.800 57.619 56.287 -0.781 0.000 0.945 393 K CB 0.001 31.515 32.500 -1.644 0.000 0.750 393 K HN 0.905 nan 8.250 nan 0.000 0.464 394 E N -0.096 119.986 120.200 -0.196 0.000 2.318 394 E HA -0.095 4.255 4.350 -0.000 0.000 0.193 394 E C 1.748 178.315 176.600 -0.056 0.000 0.998 394 E CA 0.297 56.626 56.400 -0.118 0.000 0.859 394 E CB -0.074 29.574 29.700 -0.087 0.000 0.812 394 E HN 0.271 nan 8.360 nan 0.000 0.492 395 L N 0.823 122.038 121.223 -0.013 0.000 2.270 395 L HA -0.021 4.319 4.340 -0.000 0.000 0.210 395 L C 2.307 179.185 176.870 0.014 0.000 1.104 395 L CA -0.033 54.800 54.840 -0.010 0.000 0.804 395 L CB -0.333 41.727 42.059 0.003 0.000 0.937 395 L HN 0.089 nan 8.230 nan 0.000 0.450 396 I N 0.461 121.063 120.570 0.053 0.000 2.147 396 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 396 I C 0.000 176.162 176.117 0.075 0.000 1.059 396 I CA 2.234 63.593 61.300 0.097 0.000 1.320 396 I CB -2.500 35.547 38.000 0.079 0.000 1.021 396 I HN 0.187 nan 8.210 nan 0.000 0.415 397 P HA -0.192 nan 4.420 nan 0.000 0.202 397 P C 1.725 179.054 177.300 0.049 0.000 1.149 397 P CA 1.381 64.499 63.100 0.029 0.000 0.931 397 P CB -0.155 31.545 31.700 -0.000 0.000 0.762 398 E N -0.811 119.407 120.200 0.030 0.000 2.187 398 E HA -0.274 4.076 4.350 -0.000 0.000 0.199 398 E C 1.829 178.503 176.600 0.123 0.000 1.004 398 E CA 1.304 57.737 56.400 0.056 0.000 0.813 398 E CB -0.442 29.268 29.700 0.017 0.000 0.736 398 E HN 0.094 nan 8.360 nan 0.000 0.468 399 A N 0.232 123.101 122.820 0.083 0.000 1.841 399 A HA -0.164 4.156 4.320 -0.000 0.000 0.214 399 A C 2.378 180.082 177.584 0.200 0.000 1.195 399 A CA 2.055 54.162 52.037 0.118 0.000 0.611 399 A CB -0.963 18.092 19.000 0.092 0.000 0.835 399 A HN 0.293 nan 8.150 nan 0.000 0.443 400 T N -0.205 114.458 114.554 0.182 0.000 2.759 400 T HA -0.161 4.189 4.350 -0.000 0.000 0.269 400 T C 1.779 176.588 174.700 0.182 0.000 1.042 400 T CA 1.716 63.940 62.100 0.206 0.000 1.140 400 T CB -0.287 68.682 68.868 0.167 0.000 0.864 400 T HN 0.654 nan 8.240 nan 0.000 0.455 401 E N 1.767 122.042 120.200 0.126 0.000 2.007 401 E HA -0.214 4.136 4.350 -0.000 0.000 0.203 401 E C 2.110 178.743 176.600 0.055 0.000 1.020 401 E CA 1.673 58.120 56.400 0.079 0.000 0.845 401 E CB -0.318 29.414 29.700 0.053 0.000 0.779 401 E HN 0.249 nan 8.360 nan 0.000 0.466 402 K N -1.227 119.175 120.400 0.004 0.000 2.207 402 K HA -0.237 4.083 4.320 -0.000 0.000 0.208 402 K C 1.804 178.315 176.600 -0.148 0.000 1.046 402 K CA 1.955 58.128 56.287 -0.190 0.000 0.929 402 K CB -0.460 31.667 32.500 -0.621 0.000 0.720 402 K HN 0.332 nan 8.250 nan 0.000 0.463 403 Y N -0.845 119.406 120.300 -0.083 0.000 2.265 403 Y HA 0.192 4.742 4.550 0.000 0.000 0.290 403 Y C 1.731 177.659 175.900 0.046 0.000 1.137 403 Y CA 0.794 58.897 58.100 0.004 0.000 1.147 403 Y CB -0.002 38.519 38.460 0.102 0.000 1.104 403 Y HN -0.139 nan 8.280 nan 0.000 0.514 404 L N -0.754 120.624 121.223 0.259 0.000 2.492 404 L HA 0.100 4.440 4.340 -0.000 0.000 0.223 404 L C 2.110 179.039 176.870 0.098 0.000 1.132 404 L CA 0.817 55.763 54.840 0.176 0.000 0.850 404 L CB -0.890 41.278 42.059 0.182 0.000 0.966 404 L HN 0.308 nan 8.230 nan 0.000 0.454 405 G N 0.309 109.153 108.800 0.074 0.000 2.708 405 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.210 405 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.210 405 G C 1.383 176.293 174.900 0.017 0.000 1.141 405 G CA 0.550 45.671 45.100 0.036 0.000 0.788 405 G HN 0.437 nan 8.290 nan 0.000 0.531 406 G N 0.725 109.536 108.800 0.019 0.000 2.808 406 G HA2 0.059 4.019 3.960 -0.000 0.000 0.211 406 G HA3 0.059 4.019 3.960 -0.000 0.000 0.211 406 G C 1.147 176.054 174.900 0.012 0.000 1.364 406 G CA 1.611 46.714 45.100 0.005 0.000 0.824 406 G HN 0.656 nan 8.290 nan 0.000 0.630 407 T N -2.391 112.177 114.554 0.023 0.000 2.884 407 T HA 0.442 4.792 4.350 -0.000 0.000 0.277 407 T C 0.403 175.117 174.700 0.025 0.000 0.976 407 T CA 0.028 62.141 62.100 0.021 0.000 0.956 407 T CB 1.614 70.496 68.868 0.023 0.000 1.113 407 T HN 0.184 nan 8.240 nan 0.000 0.554 408 D N -0.531 119.882 120.400 0.021 0.000 2.350 408 D HA 0.081 4.721 4.640 -0.000 0.000 0.213 408 D C 0.020 176.334 176.300 0.023 0.000 1.031 408 D CA 0.105 54.117 54.000 0.020 0.000 0.861 408 D CB -0.000 40.809 40.800 0.015 0.000 0.926 408 D HN 0.614 nan 8.370 nan 0.000 0.520 409 D N 1.262 121.678 120.400 0.027 0.000 2.348 409 D HA -0.000 4.640 4.640 -0.000 0.000 0.253 409 D C 1.493 177.815 176.300 0.037 0.000 1.161 409 D CA 0.083 54.100 54.000 0.030 0.000 0.876 409 D CB 1.257 42.075 40.800 0.030 0.000 1.160 409 D HN -0.094 nan 8.370 nan 0.000 0.459 410 T N 0.395 114.970 114.554 0.034 0.000 2.995 410 T HA -0.089 4.261 4.350 -0.000 0.000 0.269 410 T C 1.868 176.598 174.700 0.050 0.000 1.091 410 T CA 0.697 62.820 62.100 0.038 0.000 1.128 410 T CB -0.227 68.657 68.868 0.028 0.000 0.891 410 T HN 0.248 nan 8.240 nan 0.000 0.492 411 V N 1.488 121.432 119.914 0.049 0.000 2.427 411 V HA -0.054 4.066 4.120 -0.000 0.000 0.248 411 V C 2.629 178.768 176.094 0.074 0.000 1.051 411 V CA 1.465 63.800 62.300 0.059 0.000 1.048 411 V CB -0.543 31.309 31.823 0.048 0.000 0.666 411 V HN 0.455 nan 8.190 nan 0.000 0.456 412 K N -0.228 120.213 120.400 0.068 0.000 2.305 412 K HA -0.006 4.314 4.320 -0.000 0.000 0.199 412 K C 2.173 178.836 176.600 0.105 0.000 1.047 412 K CA 0.473 56.808 56.287 0.080 0.000 0.976 412 K CB -0.012 32.525 32.500 0.061 0.000 0.765 412 K HN 0.418 nan 8.250 nan 0.000 0.474 413 K N 1.113 121.572 120.400 0.099 0.000 2.057 413 K HA -0.153 4.167 4.320 -0.000 0.000 0.206 413 K C 2.094 178.797 176.600 0.173 0.000 1.050 413 K CA 1.148 57.508 56.287 0.121 0.000 0.935 413 K CB 0.025 32.574 32.500 0.080 0.000 0.715 413 K HN 0.038 nan 8.250 nan 0.000 0.439 414 K N 1.506 121.997 120.400 0.152 0.000 1.991 414 K HA -0.221 4.099 4.320 -0.000 0.000 0.212 414 K C 1.459 178.232 176.600 0.288 0.000 1.049 414 K CA 2.221 58.634 56.287 0.211 0.000 0.932 414 K CB -0.162 32.436 32.500 0.163 0.000 0.717 414 K HN -0.075 nan 8.250 nan 0.000 0.441 415 D N 0.906 121.433 120.400 0.211 0.000 2.172 415 D HA -0.195 4.445 4.640 -0.000 0.000 0.196 415 D C 1.935 178.368 176.300 0.223 0.000 0.999 415 D CA 1.120 55.239 54.000 0.198 0.000 0.856 415 D CB -0.103 40.781 40.800 0.141 0.000 0.934 415 D HN 0.257 nan 8.370 nan 0.000 0.453 416 L N -0.762 120.603 121.223 0.238 0.000 2.156 416 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 416 L C 2.115 179.193 176.870 0.346 0.000 1.095 416 L CA 0.270 55.276 54.840 0.276 0.000 0.770 416 L CB -0.197 42.014 42.059 0.253 0.000 0.914 416 L HN -0.002 nan 8.230 nan 0.000 0.439 417 F N 0.673 120.732 119.950 0.181 0.000 2.126 417 F HA -0.269 4.258 4.527 -0.000 0.000 0.299 417 F C 2.090 177.960 175.800 0.117 0.000 1.096 417 F CA 1.608 59.696 58.000 0.145 0.000 1.255 417 F CB -0.207 38.886 39.000 0.155 0.000 0.997 417 F HN -0.084 nan 8.300 nan 0.000 0.479 418 L N -0.365 120.952 121.223 0.157 0.000 2.093 418 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 418 L C 2.011 178.899 176.870 0.031 0.000 1.085 418 L CA 1.431 56.331 54.840 0.101 0.000 0.755 418 L CB -0.906 41.318 42.059 0.276 0.000 0.904 418 L HN 0.032 nan 8.230 nan 0.000 0.435 419 D N 0.017 120.489 120.400 0.121 0.000 2.178 419 D HA -0.182 4.458 4.640 -0.000 0.000 0.201 419 D C 2.091 178.436 176.300 0.075 0.000 0.980 419 D CA 0.705 54.807 54.000 0.169 0.000 0.842 419 D CB -0.078 40.898 40.800 0.293 0.000 0.948 419 D HN 0.072 nan 8.370 nan 0.000 0.472 420 L N 0.891 122.033 121.223 -0.135 0.000 1.943 420 L HA -0.154 4.186 4.340 -0.000 0.000 0.215 420 L C 2.174 178.735 176.870 -0.515 0.000 1.074 420 L CA 1.570 56.066 54.840 -0.573 0.000 0.759 420 L CB -1.006 40.724 42.059 -0.548 0.000 0.888 420 L HN 0.068 nan 8.230 nan 0.000 0.433 421 I N 0.437 120.630 120.570 -0.628 0.000 2.185 421 I HA -0.337 3.833 4.170 -0.000 0.000 0.246 421 I C 2.760 178.583 176.117 -0.490 0.000 1.088 421 I CA 1.420 62.285 61.300 -0.725 0.000 1.347 421 I CB -0.626 36.624 38.000 -1.249 0.000 1.041 421 I HN 0.376 nan 8.210 nan 0.000 0.415 422 A N 0.284 122.947 122.820 -0.263 0.000 1.902 422 A HA -0.260 4.060 4.320 -0.000 0.000 0.217 422 A C 1.914 179.507 177.584 0.016 0.000 1.181 422 A CA 2.271 54.316 52.037 0.014 0.000 0.623 422 A CB -0.718 18.341 19.000 0.099 0.000 0.818 422 A HN 0.383 nan 8.150 nan 0.000 0.443 423 D N -1.032 119.319 120.400 -0.081 0.000 2.178 423 D HA -0.048 4.592 4.640 -0.000 0.000 0.202 423 D C 1.828 177.949 176.300 -0.298 0.000 0.974 423 D CA 1.094 55.044 54.000 -0.082 0.000 0.841 423 D CB 0.103 40.946 40.800 0.073 0.000 0.953 423 D HN 0.210 nan 8.370 nan 0.000 0.478 424 V N 0.172 119.776 119.914 -0.517 0.000 2.407 424 V HA -0.147 3.973 4.120 -0.000 0.000 0.245 424 V C 2.189 178.057 176.094 -0.376 0.000 1.041 424 V CA 1.085 63.011 62.300 -0.623 0.000 1.040 424 V CB -0.233 31.131 31.823 -0.765 0.000 0.671 424 V HN 0.275 nan 8.190 nan 0.000 0.455 425 M N -1.190 118.203 119.600 -0.345 0.000 2.099 425 M HA -0.063 4.417 4.480 -0.000 0.000 0.262 425 M C 1.946 177.906 176.300 -0.568 0.000 1.067 425 M CA 2.253 57.260 55.300 -0.488 0.000 1.124 425 M CB -0.236 32.030 32.600 -0.556 0.000 1.353 425 M HN 0.388 nan 8.290 nan 0.000 0.410 426 F N -1.845 118.030 119.950 -0.126 0.000 2.581 426 F HA 0.339 4.866 4.527 -0.000 0.000 0.278 426 F C 2.340 178.085 175.800 -0.091 0.000 1.000 426 F CA 0.178 58.130 58.000 -0.079 0.000 1.230 426 F CB -1.490 37.500 39.000 -0.017 0.000 1.008 426 F HN 0.069 nan 8.300 nan 0.000 0.695 427 G N 1.475 110.352 108.800 0.128 0.000 2.777 427 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.217 427 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.217 427 G C 1.727 176.629 174.900 0.004 0.000 1.295 427 G CA 2.293 47.417 45.100 0.040 0.000 0.800 427 G HN 0.173 nan 8.290 nan 0.000 0.637 428 V N 2.453 122.359 119.914 -0.014 0.000 2.295 428 V HA -0.124 3.996 4.120 -0.000 0.000 0.246 428 V C 0.492 176.582 176.094 -0.007 0.000 1.049 428 V CA 2.397 64.708 62.300 0.018 0.000 1.024 428 V CB -1.386 30.456 31.823 0.033 0.000 0.648 428 V HN 0.312 nan 8.190 nan 0.000 0.447 429 P HA -0.156 nan 4.420 nan 0.000 0.214 429 P C 2.064 179.333 177.300 -0.051 0.000 1.169 429 P CA 2.202 65.262 63.100 -0.066 0.000 0.908 429 P CB -0.163 31.465 31.700 -0.120 0.000 0.791 430 S N -0.702 114.968 115.700 -0.050 0.000 2.359 430 S HA -0.144 4.326 4.470 -0.000 0.000 0.224 430 S C 2.020 176.542 174.600 -0.130 0.000 1.035 430 S CA 1.586 59.732 58.200 -0.090 0.000 1.018 430 S CB -1.445 61.699 63.200 -0.095 0.000 0.876 430 S HN -0.067 nan 8.310 nan 0.000 0.448 431 V N 2.603 122.456 119.914 -0.101 0.000 2.231 431 V HA -0.243 3.877 4.120 -0.000 0.000 0.248 431 V C 2.138 178.205 176.094 -0.045 0.000 1.054 431 V CA 1.903 64.147 62.300 -0.094 0.000 1.015 431 V CB -0.878 30.941 31.823 -0.007 0.000 0.638 431 V HN 0.458 nan 8.190 nan 0.000 0.444 432 I N -0.037 120.535 120.570 0.003 0.000 2.113 432 I HA -0.275 3.895 4.170 -0.000 0.000 0.242 432 I C 2.423 178.557 176.117 0.028 0.000 1.064 432 I CA 1.685 63.005 61.300 0.033 0.000 1.320 432 I CB -0.647 37.370 38.000 0.030 0.000 1.028 432 I HN 0.180 nan 8.210 nan 0.000 0.406 433 V N 1.073 120.986 119.914 -0.002 0.000 2.469 433 V HA -0.314 3.806 4.120 -0.000 0.000 0.251 433 V C 2.650 178.760 176.094 0.026 0.000 1.064 433 V CA 1.983 64.300 62.300 0.028 0.000 1.066 433 V CB -1.048 30.779 31.823 0.006 0.000 0.667 433 V HN 0.521 nan 8.190 nan 0.000 0.461 434 A N -0.036 122.727 122.820 -0.094 0.000 1.854 434 A HA -0.172 4.148 4.320 -0.000 0.000 0.214 434 A C 2.357 179.971 177.584 0.050 0.000 1.192 434 A CA 1.614 53.548 52.037 -0.171 0.000 0.611 434 A CB -0.487 18.202 19.000 -0.517 0.000 0.832 434 A HN 0.456 nan 8.150 nan 0.000 0.442 435 R N -0.025 120.544 120.500 0.116 0.000 2.094 435 R HA -0.192 4.148 4.340 -0.000 0.000 0.239 435 R C 2.118 178.513 176.300 0.158 0.000 1.137 435 R CA 2.109 58.343 56.100 0.225 0.000 0.943 435 R CB -0.612 29.802 30.300 0.190 0.000 0.850 435 R HN 0.719 nan 8.270 nan 0.000 0.433 436 N N -0.911 117.865 118.700 0.127 0.000 2.104 436 N HA -0.231 4.509 4.740 -0.000 0.000 0.190 436 N C 1.802 177.390 175.510 0.129 0.000 1.024 436 N CA 1.316 54.433 53.050 0.112 0.000 0.853 436 N CB -0.198 38.350 38.487 0.102 0.000 1.008 436 N HN 0.299 nan 8.380 nan 0.000 0.424 437 H N 1.042 120.183 119.070 0.117 0.000 2.457 437 H HA 0.057 4.613 4.556 -0.000 0.000 0.294 437 H C 2.172 177.572 175.328 0.121 0.000 1.064 437 H CA 1.100 57.238 56.048 0.149 0.000 1.330 437 H CB 0.158 30.073 29.762 0.255 0.000 1.395 437 H HN 0.053 nan 8.280 nan 0.000 0.541 438 R N 0.229 120.803 120.500 0.124 0.000 2.062 438 R HA -0.113 4.227 4.340 -0.000 0.000 0.231 438 R C 1.280 177.586 176.300 0.010 0.000 1.136 438 R CA 1.844 58.000 56.100 0.094 0.000 0.948 438 R CB -0.099 30.330 30.300 0.215 0.000 0.845 438 R HN 0.399 nan 8.270 nan 0.000 0.430 439 D N 0.586 121.005 120.400 0.031 0.000 2.178 439 D HA -0.103 4.536 4.640 -0.000 0.000 0.202 439 D C 1.669 177.959 176.300 -0.017 0.000 0.974 439 D CA 1.202 55.209 54.000 0.012 0.000 0.841 439 D CB -0.138 40.681 40.800 0.032 0.000 0.953 439 D HN 0.393 nan 8.370 nan 0.000 0.478 440 A N 0.487 123.281 122.820 -0.044 0.000 2.139 440 A HA 0.086 4.406 4.320 -0.000 0.000 0.221 440 A C 1.655 179.190 177.584 -0.081 0.000 1.159 440 A CA 1.641 53.639 52.037 -0.064 0.000 0.662 440 A CB -0.502 18.431 19.000 -0.112 0.000 0.796 440 A HN 0.337 nan 8.150 nan 0.000 0.463 441 G N -2.680 106.062 108.800 -0.096 0.000 2.356 441 G HA2 0.370 4.330 3.960 -0.000 0.000 0.233 441 G HA3 0.370 4.330 3.960 -0.000 0.000 0.233 441 G C -0.090 174.756 174.900 -0.090 0.000 1.105 441 G CA 0.274 45.333 45.100 -0.068 0.000 0.861 441 G HN 1.885 nan 8.290 nan 0.000 0.493 442 A N -0.475 122.260 122.820 -0.141 0.000 2.612 442 A HA 0.938 5.258 4.320 -0.000 0.000 0.293 442 A C -2.912 174.668 177.584 -0.007 0.000 1.075 442 A CA -1.206 50.773 52.037 -0.097 0.000 0.680 442 A CB 1.420 20.309 19.000 -0.184 0.000 1.279 442 A HN 0.178 nan 8.150 nan 0.000 0.411 443 P HA 0.294 nan 4.420 nan 0.000 0.264 443 P C -0.496 176.911 177.300 0.177 0.000 1.179 443 P CA 0.906 64.061 63.100 0.092 0.000 0.763 443 P CB 0.498 32.295 31.700 0.161 0.000 0.806 444 T N 1.946 116.436 114.554 -0.106 0.000 3.047 444 T HA 0.511 4.861 4.350 -0.000 0.000 0.340 444 T C -1.400 173.031 174.700 -0.448 0.000 1.421 444 T CA -0.449 61.628 62.100 -0.038 0.000 1.090 444 T CB 0.708 69.669 68.868 0.156 0.000 1.292 444 T HN 0.140 nan 8.240 nan 0.000 0.480 445 Y N 0.816 121.063 120.300 -0.088 0.000 2.534 445 Y HA 0.773 5.323 4.550 -0.000 0.000 0.345 445 Y C -0.182 175.655 175.900 -0.106 0.000 1.031 445 Y CA -1.237 56.767 58.100 -0.160 0.000 1.022 445 Y CB 2.163 40.196 38.460 -0.712 0.000 1.292 445 Y HN 0.421 nan 8.280 nan 0.000 0.459 446 M N 2.497 122.326 119.600 0.381 0.000 2.619 446 M HA 0.581 5.061 4.480 -0.000 0.000 0.297 446 M C -1.691 174.992 176.300 0.638 0.000 1.229 446 M CA -0.986 54.467 55.300 0.255 0.000 0.860 446 M CB 3.243 35.791 32.600 -0.087 0.000 1.741 446 M HN 0.754 nan 8.290 nan 0.000 0.462 447 Y N -1.429 119.048 120.300 0.295 0.000 2.581 447 Y HA 0.647 5.197 4.550 -0.000 0.000 0.337 447 Y C -1.656 174.333 175.900 0.148 0.000 1.108 447 Y CA -0.978 57.253 58.100 0.219 0.000 1.033 447 Y CB 1.429 39.934 38.460 0.074 0.000 1.318 447 Y HN 0.699 nan 8.280 nan 0.000 0.459 448 E N 3.646 124.068 120.200 0.371 0.000 2.267 448 E HA 0.264 4.614 4.350 -0.000 0.000 0.248 448 E C -1.924 174.898 176.600 0.370 0.000 0.899 448 E CA -0.874 55.663 56.400 0.229 0.000 0.764 448 E CB 0.759 30.532 29.700 0.121 0.000 1.227 448 E HN 0.653 nan 8.360 nan 0.000 0.421 449 F N 3.965 124.123 119.950 0.347 0.000 2.519 449 F HA 0.041 4.568 4.527 -0.000 0.000 0.375 449 F C 0.113 176.014 175.800 0.169 0.000 1.084 449 F CA 0.531 58.685 58.000 0.256 0.000 1.147 449 F CB 0.592 39.759 39.000 0.278 0.000 1.088 449 F HN 0.466 nan 8.300 nan 0.000 0.555 450 Q N 7.639 127.256 119.800 -0.304 0.000 2.607 450 Q HA 0.244 4.584 4.340 -0.000 0.000 0.247 450 Q C -2.159 173.667 176.000 -0.290 0.000 1.033 450 Q CA -0.609 55.084 55.803 -0.183 0.000 0.769 450 Q CB 0.629 29.329 28.738 -0.063 0.000 1.169 450 Q HN 0.786 nan 8.270 nan 0.000 0.508 451 Y N 1.187 121.191 120.300 -0.493 0.000 2.409 451 Y HA 0.274 4.824 4.550 -0.000 0.000 0.321 451 Y C -1.965 173.880 175.900 -0.091 0.000 1.209 451 Y CA -0.792 57.081 58.100 -0.378 0.000 1.086 451 Y CB 1.243 39.319 38.460 -0.640 0.000 1.320 451 Y HN 0.491 nan 8.280 nan 0.000 0.440 452 R N 7.822 127.894 120.500 -0.713 0.000 2.207 452 R HA 0.481 4.821 4.340 -0.000 0.000 0.334 452 R C -2.653 173.309 176.300 -0.564 0.000 1.013 452 R CA -1.894 53.955 56.100 -0.419 0.000 0.858 452 R CB 0.934 31.034 30.300 -0.333 0.000 1.094 452 R HN 0.445 nan 8.270 nan 0.000 0.457 453 P HA -0.006 nan 4.420 nan 0.000 0.272 453 P C -0.099 177.017 177.300 -0.307 0.000 1.240 453 P CA -0.129 62.914 63.100 -0.094 0.000 0.791 453 P CB 1.414 33.053 31.700 -0.101 0.000 0.978 454 S N 0.059 115.463 115.700 -0.494 0.000 2.486 454 S HA 0.057 4.527 4.470 -0.000 0.000 0.220 454 S C 1.416 175.882 174.600 -0.223 0.000 1.011 454 S CA -0.056 57.926 58.200 -0.365 0.000 0.921 454 S CB -0.978 62.014 63.200 -0.348 0.000 0.785 454 S HN 0.428 nan 8.310 nan 0.000 0.517 455 F N 2.655 122.391 119.950 -0.358 0.000 2.804 455 F HA 0.273 4.800 4.527 -0.000 0.000 0.303 455 F C 1.398 176.975 175.800 -0.372 0.000 1.154 455 F CA -0.688 57.050 58.000 -0.436 0.000 1.401 455 F CB -0.191 38.345 39.000 -0.773 0.000 1.106 455 F HN 0.116 nan 8.300 nan 0.000 0.568 456 S N -0.010 115.602 115.700 -0.147 0.000 2.641 456 S HA -0.008 4.462 4.470 -0.000 0.000 0.251 456 S C 0.506 175.089 174.600 -0.027 0.000 1.332 456 S CA -0.534 57.633 58.200 -0.055 0.000 0.968 456 S CB 0.799 63.945 63.200 -0.089 0.000 0.987 456 S HN 0.216 nan 8.310 nan 0.000 0.587 457 S N -0.240 115.429 115.700 -0.051 0.000 2.586 457 S HA 0.123 4.593 4.470 -0.000 0.000 0.274 457 S C 0.671 175.168 174.600 -0.171 0.000 1.281 457 S CA -0.705 57.451 58.200 -0.075 0.000 1.035 457 S CB 0.294 63.464 63.200 -0.050 0.000 0.962 457 S HN 0.587 nan 8.310 nan 0.000 0.512 458 D N 3.167 123.505 120.400 -0.103 0.000 2.310 458 D HA -0.043 4.597 4.640 -0.000 0.000 0.212 458 D C 1.057 177.265 176.300 -0.153 0.000 0.965 458 D CA 1.139 55.075 54.000 -0.106 0.000 0.879 458 D CB 0.061 40.830 40.800 -0.052 0.000 0.921 458 D HN 0.589 nan 8.370 nan 0.000 0.510 459 M N 0.099 119.577 119.600 -0.202 0.000 2.453 459 M HA 0.059 4.539 4.480 -0.000 0.000 0.239 459 M C 0.585 176.528 176.300 -0.595 0.000 1.151 459 M CA 0.075 55.239 55.300 -0.227 0.000 0.989 459 M CB 0.531 33.127 32.600 -0.006 0.000 1.548 459 M HN -0.295 nan 8.290 nan 0.000 0.479 460 K N 2.996 122.906 120.400 -0.816 0.000 2.265 460 K HA 0.331 4.651 4.320 -0.000 0.000 0.267 460 K C -2.332 173.954 176.600 -0.523 0.000 0.994 460 K CA -1.823 53.790 56.287 -1.123 0.000 0.860 460 K CB 1.234 33.063 32.500 -1.118 0.000 1.099 460 K HN -0.103 nan 8.250 nan 0.000 0.448 461 P HA -0.030 nan 4.420 nan 0.000 0.264 461 P C -0.486 176.719 177.300 -0.160 0.000 1.193 461 P CA 0.133 63.118 63.100 -0.191 0.000 0.763 461 P CB 0.737 32.374 31.700 -0.104 0.000 0.810 462 K N 1.135 121.458 120.400 -0.129 0.000 2.574 462 K HA -0.059 4.261 4.320 -0.000 0.000 0.193 462 K C 1.657 178.204 176.600 -0.088 0.000 1.035 462 K CA 1.433 57.650 56.287 -0.116 0.000 0.982 462 K CB -0.388 32.049 32.500 -0.106 0.000 0.795 462 K HN 0.630 nan 8.250 nan 0.000 0.491 463 T N -2.219 112.297 114.554 -0.064 0.000 3.055 463 T HA 0.014 4.364 4.350 -0.000 0.000 0.265 463 T C 0.822 175.511 174.700 -0.019 0.000 1.111 463 T CA 0.024 62.104 62.100 -0.034 0.000 1.118 463 T CB -0.027 68.834 68.868 -0.012 0.000 0.909 463 T HN -0.203 nan 8.240 nan 0.000 0.501 464 V N 2.579 122.479 119.914 -0.023 0.000 2.406 464 V HA 0.465 4.585 4.120 -0.000 0.000 0.272 464 V C -0.012 176.080 176.094 -0.002 0.000 1.043 464 V CA -0.745 61.564 62.300 0.015 0.000 0.915 464 V CB 0.569 32.421 31.823 0.049 0.000 0.988 464 V HN 0.433 nan 8.190 nan 0.000 0.466 465 I N 3.326 123.904 120.570 0.013 0.000 2.545 465 I HA 0.635 4.805 4.170 -0.000 0.000 0.292 465 I C 0.907 177.063 176.117 0.064 0.000 1.040 465 I CA -0.640 60.655 61.300 -0.008 0.000 1.068 465 I CB 1.943 39.908 38.000 -0.058 0.000 1.251 465 I HN 0.784 nan 8.210 nan 0.000 0.424 466 G N 3.585 112.458 108.800 0.123 0.000 2.298 466 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.287 466 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.287 466 G C -0.167 174.866 174.900 0.223 0.000 1.075 466 G CA 0.200 45.444 45.100 0.240 0.000 0.960 466 G HN 0.749 nan 8.290 nan 0.000 0.502 467 D N -0.768 119.765 120.400 0.222 0.000 2.228 467 D HA 0.302 4.942 4.640 -0.000 0.000 0.259 467 D C 0.931 177.360 176.300 0.215 0.000 1.249 467 D CA -0.220 53.913 54.000 0.221 0.000 0.997 467 D CB 0.258 41.220 40.800 0.269 0.000 1.151 467 D HN 0.370 nan 8.370 nan 0.000 0.536 468 H N -1.734 117.399 119.070 0.106 0.000 2.620 468 H HA 0.412 4.968 4.556 -0.000 0.000 0.313 468 H C 1.030 176.406 175.328 0.080 0.000 1.075 468 H CA 0.957 57.033 56.048 0.046 0.000 1.397 468 H CB 0.603 30.397 29.762 0.054 0.000 1.446 468 H HN 0.528 nan 8.280 nan 0.000 0.493 469 G N 4.269 112.809 108.800 -0.433 0.000 2.189 469 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.267 469 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.267 469 G C 1.143 175.838 174.900 -0.341 0.000 0.975 469 G CA 0.717 45.525 45.100 -0.487 0.000 0.644 469 G HN 0.680 nan 8.290 nan 0.000 0.537 470 D N 0.896 121.246 120.400 -0.084 0.000 2.357 470 D HA -0.033 4.607 4.640 -0.000 0.000 0.216 470 D C 2.367 178.525 176.300 -0.237 0.000 0.973 470 D CA 1.380 55.443 54.000 0.104 0.000 0.912 470 D CB 0.062 41.056 40.800 0.323 0.000 0.900 470 D HN 0.784 nan 8.370 nan 0.000 0.501 471 E N 0.420 120.172 120.200 -0.746 0.000 2.442 471 E HA -0.058 4.292 4.350 -0.000 0.000 0.195 471 E C 1.912 178.115 176.600 -0.662 0.000 1.030 471 E CA 0.050 55.634 56.400 -1.361 0.000 0.869 471 E CB -0.439 28.419 29.700 -1.404 0.000 0.857 471 E HN 0.318 nan 8.360 nan 0.000 0.505 472 L N -0.112 120.821 121.223 -0.484 0.000 2.131 472 L HA -0.078 4.262 4.340 -0.000 0.000 0.210 472 L C 2.345 179.035 176.870 -0.300 0.000 1.092 472 L CA 1.276 55.882 54.840 -0.390 0.000 0.759 472 L CB -0.684 41.097 42.059 -0.462 0.000 0.903 472 L HN 0.007 nan 8.230 nan 0.000 0.435 473 F N -0.204 119.689 119.950 -0.096 0.000 2.269 473 F HA -0.185 4.342 4.527 -0.000 0.000 0.301 473 F C 2.571 178.374 175.800 0.005 0.000 1.082 473 F CA 1.043 59.068 58.000 0.041 0.000 1.360 473 F CB -0.277 38.796 39.000 0.122 0.000 1.041 473 F HN 0.021 nan 8.300 nan 0.000 0.512 474 S N -0.112 115.595 115.700 0.011 0.000 2.315 474 S HA -0.099 4.371 4.470 -0.000 0.000 0.211 474 S C 2.267 176.754 174.600 -0.189 0.000 1.029 474 S CA 0.892 59.044 58.200 -0.081 0.000 0.956 474 S CB -0.691 62.416 63.200 -0.154 0.000 0.918 474 S HN 0.064 nan 8.310 nan 0.000 0.470 475 V N 1.329 120.970 119.914 -0.454 0.000 2.277 475 V HA -0.246 3.874 4.120 -0.000 0.000 0.253 475 V C 1.683 177.508 176.094 -0.448 0.000 1.067 475 V CA 1.906 63.813 62.300 -0.656 0.000 1.047 475 V CB -0.796 30.459 31.823 -0.947 0.000 0.649 475 V HN 0.455 nan 8.190 nan 0.000 0.447 476 F N 0.273 120.090 119.950 -0.222 0.000 2.692 476 F HA 0.395 4.922 4.527 -0.000 0.000 0.303 476 F C 1.724 177.519 175.800 -0.009 0.000 1.114 476 F CA 0.447 58.360 58.000 -0.144 0.000 1.361 476 F CB -0.182 38.697 39.000 -0.202 0.000 1.063 476 F HN 0.301 nan 8.300 nan 0.000 0.550 477 G N 0.912 109.834 108.800 0.202 0.000 2.341 477 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.292 477 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.292 477 G C 1.317 176.501 174.900 0.474 0.000 1.021 477 G CA 0.345 45.691 45.100 0.411 0.000 0.905 477 G HN 0.567 nan 8.290 nan 0.000 0.508 478 A N -0.028 123.021 122.820 0.382 0.000 2.042 478 A HA 0.018 4.338 4.320 -0.000 0.000 0.222 478 A C 0.655 178.437 177.584 0.331 0.000 1.167 478 A CA 2.214 54.466 52.037 0.359 0.000 0.649 478 A CB -0.770 18.584 19.000 0.590 0.000 0.809 478 A HN 0.498 nan 8.150 nan 0.000 0.457 479 P HA -0.109 nan 4.420 nan 0.000 0.220 479 P C 0.640 177.847 177.300 -0.155 0.000 1.148 479 P CA 0.884 64.048 63.100 0.107 0.000 0.803 479 P CB -0.146 31.399 31.700 -0.259 0.000 0.782 480 F N -2.190 117.857 119.950 0.162 0.000 2.789 480 F HA 0.131 4.658 4.527 -0.000 0.000 0.300 480 F C 1.730 177.600 175.800 0.117 0.000 1.132 480 F CA 0.661 58.760 58.000 0.166 0.000 1.404 480 F CB -0.498 38.658 39.000 0.260 0.000 1.114 480 F HN -0.153 nan 8.300 nan 0.000 0.584 481 L N -1.831 119.506 121.223 0.191 0.000 2.685 481 L HA 0.207 4.547 4.340 -0.000 0.000 0.235 481 L C 1.085 177.933 176.870 -0.036 0.000 1.070 481 L CA 0.142 55.035 54.840 0.088 0.000 0.888 481 L CB 0.008 42.113 42.059 0.077 0.000 1.203 481 L HN -0.208 nan 8.230 nan 0.000 0.499 482 K N 0.502 120.805 120.400 -0.162 0.000 2.720 482 K HA 0.494 4.814 4.320 -0.000 0.000 0.281 482 K C -0.530 175.960 176.600 -0.183 0.000 1.019 482 K CA -0.557 55.529 56.287 -0.336 0.000 1.088 482 K CB 0.788 32.715 32.500 -0.956 0.000 1.449 482 K HN -0.068 nan 8.250 nan 0.000 0.542 483 E N -1.881 118.217 120.200 -0.171 0.000 2.433 483 E HA 0.372 4.722 4.350 -0.000 0.000 0.273 483 E C -0.140 176.527 176.600 0.111 0.000 0.950 483 E CA -0.492 55.904 56.400 -0.006 0.000 0.796 483 E CB 1.847 31.536 29.700 -0.018 0.000 1.330 483 E HN 0.728 nan 8.360 nan 0.000 0.455 484 G N 0.197 109.053 108.800 0.094 0.000 2.225 484 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.254 484 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.254 484 G C 0.426 175.383 174.900 0.094 0.000 0.988 484 G CA -0.029 45.127 45.100 0.093 0.000 0.625 484 G HN 0.821 nan 8.290 nan 0.000 0.527 485 A N 0.932 123.851 122.820 0.165 0.000 2.545 485 A HA 0.569 4.889 4.320 -0.000 0.000 0.253 485 A C 1.116 178.685 177.584 -0.026 0.000 1.074 485 A CA 1.153 53.210 52.037 0.033 0.000 0.760 485 A CB 0.022 19.080 19.000 0.098 0.000 1.005 485 A HN 2.043 nan 8.150 nan 0.000 0.506 486 S N 1.734 117.401 115.700 -0.054 0.000 2.593 486 S HA 0.176 4.646 4.470 -0.000 0.000 0.269 486 S C 0.938 175.505 174.600 -0.054 0.000 1.334 486 S CA 0.342 58.517 58.200 -0.041 0.000 1.015 486 S CB 0.953 64.134 63.200 -0.033 0.000 0.912 486 S HN 0.804 nan 8.310 nan 0.000 0.541 487 E N 0.808 120.984 120.200 -0.041 0.000 2.233 487 E HA -0.258 4.092 4.350 -0.000 0.000 0.199 487 E C 1.701 178.269 176.600 -0.053 0.000 1.004 487 E CA 2.052 58.426 56.400 -0.043 0.000 0.819 487 E CB -0.270 29.416 29.700 -0.023 0.000 0.738 487 E HN 0.829 nan 8.360 nan 0.000 0.478 488 E N 0.184 120.357 120.200 -0.045 0.000 2.007 488 E HA -0.265 4.085 4.350 -0.000 0.000 0.194 488 E C 2.018 178.560 176.600 -0.098 0.000 0.999 488 E CA 1.365 57.738 56.400 -0.046 0.000 0.811 488 E CB -0.245 29.454 29.700 -0.002 0.000 0.762 488 E HN 0.432 nan 8.360 nan 0.000 0.450 489 E N 0.124 120.263 120.200 -0.101 0.000 2.219 489 E HA -0.206 4.144 4.350 -0.000 0.000 0.198 489 E C 2.058 178.533 176.600 -0.209 0.000 0.998 489 E CA 1.096 57.386 56.400 -0.184 0.000 0.818 489 E CB -0.041 29.550 29.700 -0.181 0.000 0.741 489 E HN 0.355 nan 8.360 nan 0.000 0.477 490 I N -0.316 120.142 120.570 -0.187 0.000 2.235 490 I HA -0.179 3.991 4.170 -0.000 0.000 0.241 490 I C 2.549 178.598 176.117 -0.114 0.000 1.085 490 I CA 0.749 61.904 61.300 -0.241 0.000 1.378 490 I CB -0.210 37.653 38.000 -0.227 0.000 1.076 490 I HN -0.003 nan 8.210 nan 0.000 0.415 491 R N 0.287 120.743 120.500 -0.074 0.000 2.193 491 R HA -0.180 4.160 4.340 -0.000 0.000 0.229 491 R C 2.062 178.331 176.300 -0.052 0.000 1.110 491 R CA 1.064 57.143 56.100 -0.035 0.000 0.988 491 R CB -0.157 30.124 30.300 -0.032 0.000 0.871 491 R HN 0.255 nan 8.270 nan 0.000 0.458 492 L N -0.425 120.732 121.223 -0.110 0.000 2.071 492 L HA -0.017 4.323 4.340 -0.000 0.000 0.201 492 L C 2.179 178.994 176.870 -0.092 0.000 1.076 492 L CA 1.959 56.715 54.840 -0.141 0.000 0.755 492 L CB -1.013 40.858 42.059 -0.314 0.000 0.915 492 L HN -0.006 nan 8.230 nan 0.000 0.445 493 S N -0.402 115.241 115.700 -0.096 0.000 2.365 493 S HA -0.324 4.146 4.470 -0.000 0.000 0.225 493 S C 2.259 176.879 174.600 0.033 0.000 1.039 493 S CA 2.034 60.216 58.200 -0.029 0.000 1.033 493 S CB -0.530 62.684 63.200 0.023 0.000 0.887 493 S HN 0.528 nan 8.310 nan 0.000 0.447 494 K N 0.002 120.460 120.400 0.098 0.000 2.103 494 K HA -0.135 4.185 4.320 -0.000 0.000 0.207 494 K C 2.356 178.958 176.600 0.004 0.000 1.048 494 K CA 1.633 57.970 56.287 0.083 0.000 0.930 494 K CB -0.295 32.299 32.500 0.156 0.000 0.716 494 K HN 0.554 nan 8.250 nan 0.000 0.444 495 M N 0.390 119.988 119.600 -0.003 0.000 2.062 495 M HA -0.178 4.302 4.480 -0.000 0.000 0.259 495 M C 1.951 178.277 176.300 0.043 0.000 1.076 495 M CA 1.559 56.848 55.300 -0.018 0.000 1.122 495 M CB -0.094 32.507 32.600 0.001 0.000 1.312 495 M HN 0.006 nan 8.290 nan 0.000 0.412 496 V N 1.197 121.161 119.914 0.083 0.000 2.277 496 V HA -0.398 3.722 4.120 -0.000 0.000 0.253 496 V C 2.460 178.609 176.094 0.092 0.000 1.067 496 V CA 2.499 64.859 62.300 0.100 0.000 1.047 496 V CB -0.737 30.937 31.823 -0.248 0.000 0.649 496 V HN 0.602 nan 8.190 nan 0.000 0.447 497 M N -1.125 118.453 119.600 -0.037 0.000 2.106 497 M HA -0.247 4.233 4.480 -0.000 0.000 0.259 497 M C 2.311 178.667 176.300 0.093 0.000 1.068 497 M CA 1.904 57.192 55.300 -0.020 0.000 1.100 497 M CB -0.490 32.065 32.600 -0.074 0.000 1.351 497 M HN 0.252 nan 8.290 nan 0.000 0.404 498 K N -0.464 119.969 120.400 0.055 0.000 2.097 498 K HA -0.122 4.198 4.320 -0.000 0.000 0.206 498 K C 1.799 178.468 176.600 0.115 0.000 1.049 498 K CA 1.409 57.708 56.287 0.021 0.000 0.933 498 K CB -0.202 32.235 32.500 -0.106 0.000 0.717 498 K HN 0.290 nan 8.250 nan 0.000 0.442 499 F N -0.254 119.825 119.950 0.214 0.000 2.084 499 F HA -0.216 4.311 4.527 -0.000 0.000 0.296 499 F C 2.424 178.413 175.800 0.316 0.000 1.111 499 F CA 0.804 58.991 58.000 0.312 0.000 1.224 499 F CB -0.151 39.155 39.000 0.509 0.000 0.991 499 F HN 0.203 nan 8.300 nan 0.000 0.471 500 W N 0.046 121.442 121.300 0.160 0.000 2.358 500 W HA -0.213 4.447 4.660 -0.000 0.000 0.303 500 W C 2.543 179.051 176.519 -0.017 0.000 1.208 500 W CA 1.029 58.369 57.345 -0.009 0.000 1.274 500 W CB -0.516 28.858 29.460 -0.144 0.000 1.138 500 W HN 0.018 nan 8.180 nan 0.000 0.515 501 A N 0.519 123.466 122.820 0.213 0.000 1.873 501 A HA -0.206 4.114 4.320 -0.000 0.000 0.215 501 A C 1.752 179.390 177.584 0.090 0.000 1.186 501 A CA 1.648 53.743 52.037 0.096 0.000 0.616 501 A CB -1.125 17.916 19.000 0.069 0.000 0.823 501 A HN 0.195 nan 8.150 nan 0.000 0.442 502 N N -0.910 117.857 118.700 0.111 0.000 2.137 502 N HA -0.172 4.568 4.740 -0.000 0.000 0.190 502 N C 1.397 176.945 175.510 0.064 0.000 1.017 502 N CA 1.578 54.674 53.050 0.076 0.000 0.859 502 N CB -0.577 37.959 38.487 0.080 0.000 1.002 502 N HN 0.547 nan 8.380 nan 0.000 0.428 503 F N 1.478 121.378 119.950 -0.083 0.000 2.113 503 F HA -0.004 4.523 4.527 -0.000 0.000 0.297 503 F C 2.096 177.825 175.800 -0.119 0.000 1.103 503 F CA 1.191 59.085 58.000 -0.178 0.000 1.248 503 F CB -0.396 38.412 39.000 -0.321 0.000 0.999 503 F HN 0.013 nan 8.300 nan 0.000 0.475 504 A N -0.061 122.790 122.820 0.051 0.000 2.259 504 A HA -0.105 4.215 4.320 -0.000 0.000 0.212 504 A C 2.190 179.740 177.584 -0.057 0.000 1.178 504 A CA 1.254 53.279 52.037 -0.019 0.000 0.734 504 A CB -0.674 18.321 19.000 -0.009 0.000 0.774 504 A HN 0.508 nan 8.150 nan 0.000 0.481 505 R N -1.117 119.337 120.500 -0.077 0.000 2.102 505 R HA 0.069 4.409 4.340 -0.000 0.000 0.208 505 R C 0.794 177.032 176.300 -0.104 0.000 1.131 505 R CA 0.937 57.000 56.100 -0.062 0.000 1.054 505 R CB 0.084 30.369 30.300 -0.026 0.000 0.954 505 R HN 0.565 nan 8.270 nan 0.000 0.465 506 N N -1.300 117.312 118.700 -0.147 0.000 2.181 506 N HA 0.105 4.845 4.740 -0.000 0.000 0.207 506 N C 0.662 176.028 175.510 -0.240 0.000 1.182 506 N CA 0.875 53.837 53.050 -0.146 0.000 0.893 506 N CB 1.862 40.298 38.487 -0.085 0.000 1.032 506 N HN 0.321 nan 8.380 nan 0.000 0.513 507 G N 1.388 109.899 108.800 -0.482 0.000 2.132 507 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.234 507 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.234 507 G C -0.311 174.268 174.900 -0.536 0.000 0.989 507 G CA -0.002 44.600 45.100 -0.830 0.000 0.676 507 G HN 0.430 nan 8.290 nan 0.000 0.522 508 N N -0.023 118.484 118.700 -0.321 0.000 2.533 508 N HA 0.398 5.138 4.740 -0.000 0.000 0.289 508 N C -1.070 174.355 175.510 -0.140 0.000 1.103 508 N CA -1.403 51.527 53.050 -0.199 0.000 0.877 508 N CB 2.401 40.869 38.487 -0.032 0.000 1.419 508 N HN -0.025 nan 8.380 nan 0.000 0.517 509 P HA -0.143 nan 4.420 nan 0.000 0.218 509 P C 0.002 177.438 177.300 0.227 0.000 1.148 509 P CA 0.750 63.886 63.100 0.060 0.000 0.822 509 P CB 0.262 31.868 31.700 -0.158 0.000 0.784 510 N N 0.808 119.596 118.700 0.147 0.000 2.226 510 N HA 0.126 4.866 4.740 -0.000 0.000 0.232 510 N C 1.020 176.581 175.510 0.085 0.000 1.255 510 N CA 1.674 54.829 53.050 0.175 0.000 0.855 510 N CB -0.045 38.537 38.487 0.157 0.000 1.095 510 N HN 0.242 nan 8.380 nan 0.000 0.444 511 G N -0.168 108.668 108.800 0.061 0.000 2.368 511 G HA2 0.171 4.131 3.960 -0.000 0.000 0.293 511 G HA3 0.171 4.131 3.960 -0.000 0.000 0.293 511 G C -1.604 173.305 174.900 0.015 0.000 1.467 511 G CA -0.742 44.368 45.100 0.017 0.000 0.804 511 G HN 0.422 nan 8.290 nan 0.000 0.535 512 E N -0.406 119.800 120.200 0.010 0.000 2.338 512 E HA 0.432 4.782 4.350 -0.000 0.000 0.272 512 E C 1.163 177.756 176.600 -0.011 0.000 1.029 512 E CA 0.865 57.273 56.400 0.012 0.000 0.872 512 E CB 1.241 30.949 29.700 0.014 0.000 1.015 512 E HN 1.713 nan 8.360 nan 0.000 0.417 513 G N 2.621 111.419 108.800 -0.003 0.000 2.199 513 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.254 513 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.254 513 G C 0.054 174.931 174.900 -0.038 0.000 0.982 513 G CA -0.147 44.944 45.100 -0.015 0.000 0.632 513 G HN 0.375 nan 8.290 nan 0.000 0.529 514 L N 0.852 122.039 121.223 -0.061 0.000 2.334 514 L HA 0.561 4.901 4.340 -0.000 0.000 0.273 514 L C -1.793 175.093 176.870 0.028 0.000 1.013 514 L CA -2.373 52.391 54.840 -0.126 0.000 0.816 514 L CB 1.450 43.261 42.059 -0.414 0.000 1.278 514 L HN -0.138 nan 8.230 nan 0.000 0.431 515 P HA -0.033 nan 4.420 nan 0.000 0.269 515 P C -1.002 176.514 177.300 0.360 0.000 1.211 515 P CA -0.037 63.200 63.100 0.228 0.000 0.781 515 P CB 0.270 32.109 31.700 0.232 0.000 0.877 516 H N 1.066 120.275 119.070 0.232 0.000 2.620 516 H HA 0.274 4.830 4.556 -0.000 0.000 0.313 516 H C -1.183 174.351 175.328 0.343 0.000 1.075 516 H CA -0.175 56.038 56.048 0.276 0.000 1.397 516 H CB 0.248 30.120 29.762 0.184 0.000 1.446 516 H HN 0.339 nan 8.280 nan 0.000 0.493 517 W N 9.887 130.963 121.300 -0.373 0.000 2.296 517 W HA 0.323 4.983 4.660 -0.000 0.000 0.316 517 W C -2.790 173.572 176.519 -0.262 0.000 1.022 517 W CA -3.249 53.963 57.345 -0.221 0.000 1.324 517 W CB 0.927 30.285 29.460 -0.171 0.000 1.227 517 W HN 0.560 nan 8.180 nan 0.000 0.409 518 P HA 0.000 nan 4.420 nan 0.000 0.271 518 P C -0.379 177.134 177.300 0.357 0.000 1.216 518 P CA 0.207 63.494 63.100 0.311 0.000 0.771 518 P CB 1.061 32.938 31.700 0.294 0.000 0.864 519 E N 3.193 123.510 120.200 0.195 0.000 2.292 519 E HA -0.057 4.293 4.350 -0.000 0.000 0.265 519 E C -0.685 175.853 176.600 -0.103 0.000 1.093 519 E CA -0.501 55.764 56.400 -0.225 0.000 0.922 519 E CB -0.192 29.401 29.700 -0.179 0.000 1.001 519 E HN 0.338 nan 8.360 nan 0.000 0.444 520 Y N 6.455 126.620 120.300 -0.224 0.000 2.853 520 Y HA -0.122 4.428 4.550 -0.000 0.000 0.365 520 Y C -0.116 175.742 175.900 -0.071 0.000 1.310 520 Y CA 0.692 58.760 58.100 -0.053 0.000 1.703 520 Y CB -0.257 38.190 38.460 -0.022 0.000 1.238 520 Y HN 0.622 nan 8.280 nan 0.000 0.510 521 N N 1.328 119.886 118.700 -0.237 0.000 3.512 521 N HA 0.160 4.900 4.740 -0.000 0.000 0.360 521 N C 0.516 175.884 175.510 -0.236 0.000 1.593 521 N CA -0.435 52.517 53.050 -0.164 0.000 0.672 521 N CB 0.197 38.635 38.487 -0.083 0.000 2.105 521 N HN 0.314 nan 8.380 nan 0.000 0.645 522 Q N -0.227 119.498 119.800 -0.124 0.000 2.152 522 Q HA -0.082 4.258 4.340 -0.000 0.000 0.206 522 Q C 1.065 176.992 176.000 -0.123 0.000 0.985 522 Q CA 1.622 57.364 55.803 -0.102 0.000 0.863 522 Q CB -0.400 28.308 28.738 -0.050 0.000 0.904 522 Q HN 0.494 nan 8.270 nan 0.000 0.422 523 K N 0.839 121.170 120.400 -0.115 0.000 2.288 523 K HA -0.048 4.272 4.320 -0.000 0.000 0.201 523 K C -0.026 176.490 176.600 -0.141 0.000 1.048 523 K CA 0.159 56.394 56.287 -0.086 0.000 0.956 523 K CB 0.111 32.589 32.500 -0.037 0.000 0.746 523 K HN 0.229 nan 8.250 nan 0.000 0.461 524 E N -0.331 119.668 120.200 -0.334 0.000 2.302 524 E HA -0.154 4.196 4.350 -0.000 0.000 0.186 524 E C -0.315 176.198 176.600 -0.144 0.000 1.444 524 E CA 0.316 56.335 56.400 -0.635 0.000 0.671 524 E CB -1.608 27.822 29.700 -0.451 0.000 1.122 524 E HN 0.428 nan 8.360 nan 0.000 0.366 525 G N 1.377 110.186 108.800 0.014 0.000 2.372 525 G HA2 0.569 4.529 3.960 -0.000 0.000 0.323 525 G HA3 0.569 4.529 3.960 -0.000 0.000 0.323 525 G C -0.568 174.630 174.900 0.497 0.000 1.152 525 G CA -0.518 44.719 45.100 0.228 0.000 0.906 525 G HN 0.298 nan 8.290 nan 0.000 0.460 526 Y N 0.684 121.174 120.300 0.318 0.000 2.693 526 Y HA 0.822 5.372 4.550 -0.000 0.000 0.331 526 Y C -1.248 174.692 175.900 0.066 0.000 1.092 526 Y CA -1.913 56.388 58.100 0.335 0.000 1.131 526 Y CB 1.828 40.441 38.460 0.254 0.000 1.318 526 Y HN 0.480 nan 8.280 nan 0.000 0.510 527 L N 1.979 123.140 121.223 -0.104 0.000 2.313 527 L HA 0.430 4.770 4.340 -0.000 0.000 0.283 527 L C -0.997 175.752 176.870 -0.201 0.000 1.013 527 L CA -0.462 54.018 54.840 -0.600 0.000 0.816 527 L CB 1.804 42.825 42.059 -1.730 0.000 1.236 527 L HN 0.720 nan 8.230 nan 0.000 0.419 528 Q N 6.330 126.000 119.800 -0.215 0.000 2.441 528 Q HA 0.389 4.729 4.340 -0.000 0.000 0.234 528 Q C -0.805 175.134 176.000 -0.103 0.000 1.078 528 Q CA -0.162 55.630 55.803 -0.019 0.000 0.907 528 Q CB 0.919 29.641 28.738 -0.028 0.000 1.269 528 Q HN 0.580 nan 8.270 nan 0.000 0.502 529 I N 1.594 122.112 120.570 -0.086 0.000 2.395 529 I HA 0.509 4.679 4.170 -0.000 0.000 0.289 529 I C 0.867 176.829 176.117 -0.259 0.000 1.023 529 I CA 0.046 61.255 61.300 -0.152 0.000 1.350 529 I CB 1.086 39.035 38.000 -0.085 0.000 1.409 529 I HN 0.733 nan 8.210 nan 0.000 0.507 530 G N 3.286 111.945 108.800 -0.235 0.000 2.452 530 G HA2 0.298 4.258 3.960 -0.000 0.000 0.224 530 G HA3 0.298 4.258 3.960 -0.000 0.000 0.224 530 G C 0.329 175.171 174.900 -0.097 0.000 1.208 530 G CA 0.057 45.022 45.100 -0.226 0.000 0.946 530 G HN 0.572 nan 8.290 nan 0.000 0.481 531 A N -0.264 122.582 122.820 0.044 0.000 1.873 531 A HA 0.074 4.394 4.320 -0.000 0.000 0.218 531 A C 1.194 178.773 177.584 -0.009 0.000 1.193 531 A CA 2.520 54.589 52.037 0.053 0.000 0.629 531 A CB -0.520 18.512 19.000 0.053 0.000 0.826 531 A HN 0.990 nan 8.150 nan 0.000 0.447 532 N N -0.423 118.264 118.700 -0.021 0.000 2.407 532 N HA 0.339 5.079 4.740 -0.000 0.000 0.277 532 N C -1.688 173.796 175.510 -0.042 0.000 0.995 532 N CA -0.128 52.907 53.050 -0.025 0.000 0.903 532 N CB 1.245 39.721 38.487 -0.019 0.000 1.218 532 N HN 0.041 nan 8.380 nan 0.000 0.487 533 T N 4.070 118.602 114.554 -0.037 0.000 2.781 533 T HA 0.372 4.722 4.350 -0.000 0.000 0.305 533 T C -0.381 174.290 174.700 -0.048 0.000 1.001 533 T CA -0.554 61.513 62.100 -0.054 0.000 0.950 533 T CB 0.356 69.214 68.868 -0.017 0.000 0.955 533 T HN 0.563 nan 8.240 nan 0.000 0.471 534 Q N 1.651 121.397 119.800 -0.090 0.000 2.501 534 Q HA 0.820 5.160 4.340 -0.000 0.000 0.288 534 Q C -1.162 174.738 176.000 -0.166 0.000 1.051 534 Q CA -1.450 54.304 55.803 -0.082 0.000 0.788 534 Q CB 1.853 30.560 28.738 -0.052 0.000 1.469 534 Q HN 0.515 nan 8.270 nan 0.000 0.416 535 A N 0.417 123.160 122.820 -0.128 0.000 2.332 535 A HA 0.809 5.129 4.320 -0.000 0.000 0.258 535 A C -0.479 176.947 177.584 -0.264 0.000 1.087 535 A CA 0.418 52.339 52.037 -0.192 0.000 0.802 535 A CB 0.593 19.575 19.000 -0.031 0.000 1.042 535 A HN 0.950 nan 8.150 nan 0.000 0.489 536 A N 0.296 122.850 122.820 -0.444 0.000 2.535 536 A HA 0.781 5.101 4.320 -0.000 0.000 0.296 536 A C -0.875 176.597 177.584 -0.185 0.000 1.248 536 A CA -0.591 51.214 52.037 -0.387 0.000 0.686 536 A CB 0.982 19.596 19.000 -0.644 0.000 1.315 536 A HN 0.831 nan 8.150 nan 0.000 0.460 537 Q N -0.149 119.673 119.800 0.037 0.000 2.416 537 Q HA 0.518 4.858 4.340 -0.000 0.000 0.281 537 Q C -1.525 174.638 176.000 0.272 0.000 1.067 537 Q CA -1.044 54.854 55.803 0.158 0.000 0.809 537 Q CB 2.098 30.881 28.738 0.074 0.000 1.418 537 Q HN 0.611 nan 8.270 nan 0.000 0.411 538 K N 1.354 121.900 120.400 0.245 0.000 4.838 538 K HA -0.222 4.098 4.320 -0.000 0.000 0.300 538 K C -0.756 175.984 176.600 0.233 0.000 0.861 538 K CA 0.029 56.444 56.287 0.213 0.000 0.929 538 K CB -0.985 31.591 32.500 0.127 0.000 1.772 538 K HN 0.440 nan 8.250 nan 0.000 0.422 539 L N 2.325 123.673 121.223 0.209 0.000 2.426 539 L HA 0.070 4.410 4.340 -0.000 0.000 0.271 539 L C 0.904 177.772 176.870 -0.003 0.000 1.169 539 L CA 0.365 55.162 54.840 -0.071 0.000 0.836 539 L CB 0.649 42.352 42.059 -0.594 0.000 1.112 539 L HN 0.418 nan 8.230 nan 0.000 0.465 540 K N 1.969 122.370 120.400 0.001 0.000 3.290 540 K HA -0.342 3.978 4.320 -0.000 0.000 0.309 540 K C 1.203 177.868 176.600 0.109 0.000 1.207 540 K CA 1.429 57.751 56.287 0.059 0.000 0.939 540 K CB -1.524 31.003 32.500 0.044 0.000 1.230 540 K HN 1.010 nan 8.250 nan 0.000 0.428 541 D N 1.028 121.493 120.400 0.108 0.000 2.204 541 D HA -0.235 4.405 4.640 -0.000 0.000 0.189 541 D C 1.734 178.109 176.300 0.126 0.000 1.006 541 D CA 2.156 56.228 54.000 0.121 0.000 0.855 541 D CB 0.096 40.962 40.800 0.110 0.000 0.946 541 D HN 0.534 nan 8.370 nan 0.000 0.448 542 K N 0.092 120.553 120.400 0.103 0.000 2.020 542 K HA -0.228 4.092 4.320 -0.000 0.000 0.212 542 K C 2.202 178.892 176.600 0.150 0.000 1.050 542 K CA 1.908 58.250 56.287 0.090 0.000 0.929 542 K CB -0.013 32.510 32.500 0.039 0.000 0.714 542 K HN 0.016 nan 8.250 nan 0.000 0.443 543 E N 0.128 120.441 120.200 0.188 0.000 2.110 543 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 543 E C 1.911 178.807 176.600 0.494 0.000 0.988 543 E CA 1.069 57.688 56.400 0.365 0.000 0.804 543 E CB -0.136 29.794 29.700 0.384 0.000 0.745 543 E HN 0.094 nan 8.360 nan 0.000 0.458 544 V N 1.069 121.176 119.914 0.322 0.000 2.233 544 V HA -0.319 3.801 4.120 -0.000 0.000 0.247 544 V C 2.259 178.525 176.094 0.287 0.000 1.050 544 V CA 1.988 64.464 62.300 0.293 0.000 1.010 544 V CB -0.977 30.958 31.823 0.186 0.000 0.637 544 V HN 0.387 nan 8.190 nan 0.000 0.444 545 A N -0.650 122.301 122.820 0.219 0.000 1.986 545 A HA -0.281 4.039 4.320 -0.000 0.000 0.220 545 A C 2.096 179.785 177.584 0.174 0.000 1.171 545 A CA 2.255 54.393 52.037 0.168 0.000 0.640 545 A CB -0.740 18.338 19.000 0.132 0.000 0.811 545 A HN 0.560 nan 8.150 nan 0.000 0.451 546 F N -0.741 119.232 119.950 0.039 0.000 2.051 546 F HA -0.138 4.389 4.527 -0.000 0.000 0.296 546 F C 1.835 177.504 175.800 -0.218 0.000 1.122 546 F CA 1.625 59.548 58.000 -0.128 0.000 1.201 546 F CB -0.686 38.178 39.000 -0.226 0.000 0.978 546 F HN 0.367 nan 8.300 nan 0.000 0.472 547 W N 0.354 121.586 121.300 -0.114 0.000 2.519 547 W HA -0.006 4.654 4.660 -0.000 0.000 0.266 547 W C 2.476 178.950 176.519 -0.076 0.000 1.253 547 W CA 1.317 58.489 57.345 -0.288 0.000 1.274 547 W CB -1.385 28.030 29.460 -0.074 0.000 1.114 547 W HN -0.133 nan 8.180 nan 0.000 0.596 548 T N 0.539 115.200 114.554 0.178 0.000 2.849 548 T HA -0.196 4.154 4.350 -0.000 0.000 0.270 548 T C 1.517 176.260 174.700 0.071 0.000 1.066 548 T CA 1.629 63.819 62.100 0.150 0.000 1.130 548 T CB -0.209 68.732 68.868 0.122 0.000 0.864 548 T HN 0.200 nan 8.240 nan 0.000 0.481 549 N N 0.162 118.838 118.700 -0.039 0.000 2.499 549 N HA 0.137 4.877 4.740 -0.000 0.000 0.182 549 N C 1.688 177.122 175.510 -0.128 0.000 1.034 549 N CA 0.204 53.214 53.050 -0.067 0.000 0.882 549 N CB -0.357 38.082 38.487 -0.080 0.000 1.125 549 N HN 0.170 nan 8.380 nan 0.000 0.436 550 L N 0.994 122.013 121.223 -0.339 0.000 2.043 550 L HA -0.029 4.311 4.340 -0.000 0.000 0.212 550 L C 1.695 178.474 176.870 -0.150 0.000 1.075 550 L CA 1.566 56.163 54.840 -0.404 0.000 0.752 550 L CB -0.813 40.717 42.059 -0.882 0.000 0.891 550 L HN 0.095 nan 8.230 nan 0.000 0.432 551 F N -1.127 118.784 119.950 -0.065 0.000 2.722 551 F HA -0.048 4.479 4.527 -0.000 0.000 0.298 551 F C 1.972 177.770 175.800 -0.004 0.000 1.175 551 F CA 0.202 58.210 58.000 0.013 0.000 1.462 551 F CB -0.086 38.951 39.000 0.063 0.000 1.111 551 F HN 0.242 nan 8.300 nan 0.000 0.592 552 A N 0.047 122.957 122.820 0.149 0.000 2.387 552 A HA 0.160 4.480 4.320 -0.000 0.000 0.234 552 A C 0.794 178.409 177.584 0.052 0.000 1.253 552 A CA -0.127 51.959 52.037 0.083 0.000 0.894 552 A CB -0.198 18.832 19.000 0.049 0.000 0.963 552 A HN 0.311 nan 8.150 nan 0.000 0.508 553 K N 0.000 120.431 120.400 0.052 0.000 2.780 553 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 553 K CA 0.000 56.302 56.287 0.026 0.000 0.838 553 K CB 0.000 32.526 32.500 0.043 0.000 1.064 553 K HN 0.000 nan 8.250 nan 0.000 0.543