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 1fuq_1_B DATA FIRST_RESID 1 DATA SEQUENCE MNTVRSEKDS MGAIDVPADK LWGAQTQRSL EHFRISTEKM PTSLIHALAL DATA SEQUENCE TKRAAAKVNE DLGLLSEEKA SAIRQAADEV LAGQHDDEFP LAIWQTGSGT DATA SEQUENCE QSNMNMNEVL ANRASELLGG VRGMERKVHP NDDVNKSQSS NDVFPTAMHV DATA SEQUENCE AALLALRKQL IPQLKTLTQT LNEKSRAFAD IVKIGRTHLQ DATPLTLGQE DATA SEQUENCE ISGWVAMLEH NLKHIEYSLP HVAELALGGT AVGTGLNTHP EYARRVADEL DATA SEQUENCE AVITCAPFVT APNKFEALAT CDALVQAHGA LKGLAASLMK IANDVRWLAS DATA SEQUENCE GPRCGIGEIS IPENEPXXXX MPGKVNPTQC EALTMLCCQV MGNDVAINMG DATA SEQUENCE GASGNFELNV FRPMVIHNFL QSVRLLADGM ESFNKHCAVG IEPNRERINQ DATA SEQUENCE LLNESLMLVT ALNTHIGYDK AAEIAKKAHK EGLTLKAAAL ALGYLSEAEF DATA SEQUENCE DSWVRPEQM 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.282 176.300 -0.029 0.000 1.140 1 M CA 0.000 55.281 55.300 -0.032 0.000 0.988 1 M CB 0.000 32.571 32.600 -0.049 0.000 1.302 2 N N 1.033 119.721 118.700 -0.021 0.000 2.376 2 N HA 0.052 4.792 4.740 -0.000 0.000 0.177 2 N C -0.156 175.340 175.510 -0.023 0.000 1.024 2 N CA 0.691 53.732 53.050 -0.016 0.000 0.893 2 N CB 0.076 38.557 38.487 -0.010 0.000 0.980 2 N HN 0.643 nan 8.380 nan 0.000 0.439 3 T N 1.896 116.432 114.554 -0.029 0.000 2.928 3 T HA 0.239 4.589 4.350 -0.000 0.000 0.305 3 T C 0.682 175.355 174.700 -0.045 0.000 1.035 3 T CA -0.243 61.837 62.100 -0.033 0.000 1.145 3 T CB 0.789 69.636 68.868 -0.036 0.000 0.963 3 T HN 0.026 nan 8.240 nan 0.000 0.545 4 V N 1.761 121.652 119.914 -0.039 0.000 3.096 4 V HA 0.806 4.926 4.120 -0.000 0.000 0.319 4 V C -0.210 175.854 176.094 -0.049 0.000 1.103 4 V CA -1.409 60.864 62.300 -0.046 0.000 1.016 4 V CB 1.808 33.614 31.823 -0.027 0.000 1.090 4 V HN 0.843 nan 8.190 nan 0.000 0.449 5 R N 0.757 121.223 120.500 -0.057 0.000 2.686 5 R HA 0.615 4.955 4.340 -0.000 0.000 0.286 5 R C -0.812 175.468 176.300 -0.034 0.000 0.969 5 R CA -0.265 55.804 56.100 -0.052 0.000 0.898 5 R CB 2.115 32.369 30.300 -0.077 0.000 1.183 5 R HN 0.942 nan 8.270 nan 0.000 0.456 6 S N 2.482 118.168 115.700 -0.022 0.000 2.411 6 S HA 0.240 4.710 4.470 -0.000 0.000 0.294 6 S C -0.790 173.807 174.600 -0.005 0.000 1.115 6 S CA -0.454 57.741 58.200 -0.009 0.000 1.071 6 S CB 0.522 63.719 63.200 -0.005 0.000 0.967 6 S HN 0.563 nan 8.310 nan 0.000 0.488 7 E N 2.872 123.074 120.200 0.004 0.000 2.263 7 E HA 0.543 4.893 4.350 -0.000 0.000 0.264 7 E C -0.752 175.861 176.600 0.023 0.000 0.923 7 E CA -0.820 55.588 56.400 0.013 0.000 0.802 7 E CB 2.089 31.801 29.700 0.020 0.000 1.228 7 E HN 0.742 nan 8.360 nan 0.000 0.417 8 K N 0.062 120.478 120.400 0.027 0.000 2.533 8 K HA 0.505 4.825 4.320 -0.000 0.000 0.272 8 K C -1.400 175.219 176.600 0.032 0.000 0.985 8 K CA -0.817 55.486 56.287 0.028 0.000 0.876 8 K CB 1.920 34.433 32.500 0.022 0.000 1.452 8 K HN 0.399 nan 8.250 nan 0.000 0.439 9 D N -0.262 120.155 120.400 0.029 0.000 2.781 9 D HA 0.225 4.865 4.640 -0.000 0.000 0.295 9 D C 0.265 176.580 176.300 0.024 0.000 1.143 9 D CA -0.799 53.219 54.000 0.029 0.000 1.076 9 D CB 0.574 41.393 40.800 0.031 0.000 1.444 9 D HN 0.334 nan 8.370 nan 0.000 0.567 10 S N -0.840 114.873 115.700 0.023 0.000 2.419 10 S HA -0.169 4.301 4.470 -0.000 0.000 0.235 10 S C 1.601 176.214 174.600 0.021 0.000 1.019 10 S CA 1.235 59.446 58.200 0.019 0.000 0.982 10 S CB -0.429 62.781 63.200 0.017 0.000 0.789 10 S HN 0.514 nan 8.310 nan 0.000 0.490 11 M N 0.461 120.077 119.600 0.026 0.000 2.541 11 M HA 0.211 4.691 4.480 -0.000 0.000 0.252 11 M C 0.830 177.146 176.300 0.027 0.000 1.125 11 M CA 0.551 55.868 55.300 0.029 0.000 1.091 11 M CB 0.123 32.748 32.600 0.041 0.000 1.420 11 M HN 0.421 nan 8.290 nan 0.000 0.486 12 G N -0.203 108.612 108.800 0.024 0.000 2.298 12 G HA2 0.226 4.186 3.960 -0.000 0.000 0.309 12 G HA3 0.226 4.186 3.960 -0.000 0.000 0.309 12 G C -1.579 173.334 174.900 0.022 0.000 1.279 12 G CA -0.558 44.555 45.100 0.021 0.000 1.042 12 G HN 0.479 nan 8.290 nan 0.000 0.480 13 A N -0.635 122.196 122.820 0.019 0.000 2.295 13 A HA 0.904 5.224 4.320 -0.000 0.000 0.318 13 A C -0.228 177.368 177.584 0.020 0.000 1.134 13 A CA -0.040 52.008 52.037 0.019 0.000 0.827 13 A CB 1.174 20.183 19.000 0.014 0.000 1.136 13 A HN 1.964 nan 8.150 nan 0.000 0.493 14 I N 0.501 121.084 120.570 0.021 0.000 2.841 14 I HA 0.296 4.466 4.170 -0.000 0.000 0.298 14 I C -1.576 174.555 176.117 0.024 0.000 1.304 14 I CA -0.760 60.554 61.300 0.024 0.000 1.019 14 I CB 2.133 40.148 38.000 0.025 0.000 1.282 14 I HN 0.571 nan 8.210 nan 0.000 0.432 15 D N 5.944 126.358 120.400 0.022 0.000 2.351 15 D HA 0.364 5.004 4.640 -0.000 0.000 0.251 15 D C -0.667 175.649 176.300 0.026 0.000 1.137 15 D CA 0.241 54.249 54.000 0.014 0.000 0.879 15 D CB 1.891 42.697 40.800 0.010 0.000 1.181 15 D HN 0.116 nan 8.370 nan 0.000 0.448 16 V N 4.817 124.728 119.914 -0.005 0.000 2.540 16 V HA 0.311 4.431 4.120 -0.000 0.000 0.302 16 V C -2.182 173.838 176.094 -0.124 0.000 1.035 16 V CA -1.842 60.437 62.300 -0.035 0.000 0.873 16 V CB 2.173 33.954 31.823 -0.070 0.000 0.992 16 V HN 0.429 nan 8.190 nan 0.000 0.428 17 P HA 0.010 nan 4.420 nan 0.000 0.262 17 P C 0.625 177.780 177.300 -0.241 0.000 1.182 17 P CA 0.282 63.272 63.100 -0.184 0.000 0.761 17 P CB 0.933 32.513 31.700 -0.200 0.000 0.795 18 A N 4.545 127.269 122.820 -0.160 0.000 1.986 18 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 18 A C 1.556 179.037 177.584 -0.171 0.000 1.171 18 A CA 2.032 53.981 52.037 -0.147 0.000 0.640 18 A CB -0.988 17.955 19.000 -0.095 0.000 0.811 18 A HN 0.620 nan 8.150 nan 0.000 0.451 19 D N -1.019 119.273 120.400 -0.179 0.000 2.349 19 D HA 0.020 4.660 4.640 -0.000 0.000 0.224 19 D C 0.130 176.283 176.300 -0.246 0.000 1.029 19 D CA 0.315 54.214 54.000 -0.169 0.000 0.879 19 D CB 0.011 40.740 40.800 -0.118 0.000 0.906 19 D HN 0.077 nan 8.370 nan 0.000 0.528 20 K N 0.514 120.672 120.400 -0.403 0.000 2.123 20 K HA 0.353 4.673 4.320 -0.000 0.000 0.259 20 K C 0.925 177.226 176.600 -0.498 0.000 0.960 20 K CA -0.700 55.215 56.287 -0.620 0.000 0.872 20 K CB 2.208 33.897 32.500 -1.352 0.000 1.079 20 K HN 0.012 nan 8.250 nan 0.000 0.440 21 L N 0.711 121.710 121.223 -0.374 0.000 2.592 21 L HA 0.114 4.454 4.340 -0.000 0.000 0.227 21 L C 0.423 177.224 176.870 -0.116 0.000 1.127 21 L CA -0.215 54.489 54.840 -0.226 0.000 0.884 21 L CB -0.026 41.911 42.059 -0.204 0.000 1.065 21 L HN 0.566 nan 8.230 nan 0.000 0.457 22 W N -0.372 120.839 121.300 -0.148 0.000 2.141 22 W HA 0.623 5.283 4.660 -0.000 0.000 0.354 22 W C 0.564 177.036 176.519 -0.079 0.000 1.297 22 W CA -0.697 56.572 57.345 -0.126 0.000 1.380 22 W CB -0.198 29.181 29.460 -0.136 0.000 1.168 22 W HN -0.170 nan 8.180 nan 0.000 0.639 23 G N -0.690 108.294 108.800 0.307 0.000 2.990 23 G HA2 0.459 4.419 3.960 -0.000 0.000 0.208 23 G HA3 0.459 4.419 3.960 -0.000 0.000 0.208 23 G C 0.620 175.646 174.900 0.211 0.000 1.334 23 G CA -0.472 44.736 45.100 0.181 0.000 1.024 23 G HN 0.948 nan 8.290 nan 0.000 0.574 24 A N -0.909 121.978 122.820 0.112 0.000 1.883 24 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 24 A C 2.236 179.854 177.584 0.058 0.000 1.186 24 A CA 2.182 54.268 52.037 0.082 0.000 0.624 24 A CB -0.689 18.342 19.000 0.052 0.000 0.822 24 A HN 0.617 nan 8.150 nan 0.000 0.444 25 Q N -1.109 118.718 119.800 0.046 0.000 2.119 25 Q HA -0.109 4.231 4.340 -0.000 0.000 0.201 25 Q C 2.124 178.108 176.000 -0.027 0.000 0.972 25 Q CA 1.764 57.575 55.803 0.013 0.000 0.847 25 Q CB -0.361 28.387 28.738 0.016 0.000 0.903 25 Q HN 0.684 nan 8.270 nan 0.000 0.433 26 T N 0.778 115.307 114.554 -0.041 0.000 2.821 26 T HA -0.172 4.178 4.350 -0.000 0.000 0.267 26 T C 1.736 176.285 174.700 -0.252 0.000 1.046 26 T CA 1.327 63.303 62.100 -0.206 0.000 1.139 26 T CB -0.100 68.550 68.868 -0.364 0.000 0.871 26 T HN 0.152 nan 8.240 nan 0.000 0.454 27 Q N 1.343 121.112 119.800 -0.052 0.000 2.079 27 Q HA 0.019 4.359 4.340 -0.000 0.000 0.200 27 Q C 2.344 178.300 176.000 -0.072 0.000 0.974 27 Q CA 1.523 57.349 55.803 0.037 0.000 0.840 27 Q CB -0.161 28.691 28.738 0.190 0.000 0.898 27 Q HN 0.398 nan 8.270 nan 0.000 0.430 28 R N -0.704 119.730 120.500 -0.110 0.000 2.081 28 R HA -0.067 4.273 4.340 -0.000 0.000 0.235 28 R C 2.449 178.533 176.300 -0.360 0.000 1.131 28 R CA 1.519 57.449 56.100 -0.284 0.000 0.960 28 R CB -0.284 29.900 30.300 -0.193 0.000 0.856 28 R HN 0.208 nan 8.270 nan 0.000 0.436 29 S N 1.212 116.847 115.700 -0.109 0.000 2.368 29 S HA -0.128 4.342 4.470 -0.000 0.000 0.225 29 S C 1.806 176.464 174.600 0.096 0.000 1.030 29 S CA 0.823 59.084 58.200 0.101 0.000 0.999 29 S CB -0.241 62.980 63.200 0.034 0.000 0.844 29 S HN 0.122 nan 8.310 nan 0.000 0.459 30 L N 2.058 123.246 121.223 -0.058 0.000 2.042 30 L HA -0.113 4.227 4.340 -0.000 0.000 0.210 30 L C 1.989 178.855 176.870 -0.005 0.000 1.076 30 L CA 1.801 56.608 54.840 -0.054 0.000 0.749 30 L CB -0.657 41.328 42.059 -0.124 0.000 0.893 30 L HN 0.317 nan 8.230 nan 0.000 0.432 31 E N -2.331 117.829 120.200 -0.065 0.000 2.435 31 E HA -0.107 4.243 4.350 -0.000 0.000 0.195 31 E C 1.466 178.107 176.600 0.068 0.000 1.029 31 E CA 0.385 56.766 56.400 -0.032 0.000 0.865 31 E CB 0.057 29.713 29.700 -0.074 0.000 0.833 31 E HN 0.570 nan 8.360 nan 0.000 0.510 32 H N -1.232 117.790 119.070 -0.082 0.000 2.604 32 H HA 0.144 4.700 4.556 -0.000 0.000 0.273 32 H C 0.058 175.042 175.328 -0.573 0.000 0.971 32 H CA 0.186 56.035 56.048 -0.332 0.000 1.249 32 H CB 0.296 29.795 29.762 -0.438 0.000 1.449 32 H HN 0.036 nan 8.280 nan 0.000 0.512 33 F N 1.045 121.060 119.950 0.109 0.000 2.664 33 F HA 0.349 4.876 4.527 -0.000 0.000 0.322 33 F C 0.422 176.260 175.800 0.064 0.000 1.324 33 F CA -0.470 57.575 58.000 0.075 0.000 1.154 33 F CB 0.376 39.409 39.000 0.055 0.000 1.236 33 F HN -0.280 nan 8.300 nan 0.000 0.532 34 R N 1.930 122.507 120.500 0.129 0.000 3.701 34 R HA 0.385 4.725 4.340 -0.000 0.000 0.210 34 R C -0.611 175.753 176.300 0.106 0.000 1.598 34 R CA 0.041 56.203 56.100 0.104 0.000 1.427 34 R CB -0.088 30.247 30.300 0.057 0.000 1.339 34 R HN 0.402 nan 8.270 nan 0.000 0.720 35 I N 0.775 121.447 120.570 0.172 0.000 2.410 35 I HA 0.125 4.295 4.170 -0.000 0.000 0.286 35 I C 0.595 176.820 176.117 0.180 0.000 1.009 35 I CA -0.270 61.116 61.300 0.144 0.000 1.111 35 I CB 1.631 39.741 38.000 0.183 0.000 1.262 35 I HN 0.496 nan 8.210 nan 0.000 0.443 36 S N 4.174 119.919 115.700 0.075 0.000 3.245 36 S HA -0.263 4.207 4.470 -0.000 0.000 0.631 36 S C 0.990 175.674 174.600 0.139 0.000 2.821 36 S CA 1.559 59.811 58.200 0.086 0.000 3.266 36 S CB -0.744 62.486 63.200 0.051 0.000 0.314 36 S HN 0.994 nan 8.310 nan 0.000 1.621 37 T N -1.403 113.245 114.554 0.157 0.000 3.058 37 T HA 0.475 4.825 4.350 -0.000 0.000 0.278 37 T C -0.144 174.632 174.700 0.126 0.000 0.974 37 T CA 0.445 62.620 62.100 0.125 0.000 0.893 37 T CB 0.118 69.043 68.868 0.095 0.000 1.138 37 T HN 0.512 nan 8.240 nan 0.000 0.529 38 E N 2.524 122.828 120.200 0.174 0.000 2.290 38 E HA 0.479 4.829 4.350 -0.000 0.000 0.277 38 E C -0.034 176.529 176.600 -0.061 0.000 1.035 38 E CA -0.207 56.231 56.400 0.062 0.000 0.873 38 E CB 0.682 30.381 29.700 -0.003 0.000 1.029 38 E HN 0.205 nan 8.360 nan 0.000 0.419 39 K N 1.926 122.299 120.400 -0.044 0.000 2.313 39 K HA 0.459 4.779 4.320 -0.000 0.000 0.235 39 K C 0.126 176.690 176.600 -0.060 0.000 1.035 39 K CA -1.064 55.187 56.287 -0.060 0.000 0.868 39 K CB 0.699 33.201 32.500 0.003 0.000 1.232 39 K HN 0.401 nan 8.250 nan 0.000 0.459 40 M N 2.052 121.622 119.600 -0.050 0.000 2.250 40 M HA 0.125 4.605 4.480 -0.000 0.000 0.337 40 M C -1.970 174.320 176.300 -0.017 0.000 1.161 40 M CA -1.530 53.753 55.300 -0.028 0.000 1.088 40 M CB -1.048 31.541 32.600 -0.019 0.000 1.639 40 M HN 0.168 nan 8.290 nan 0.000 0.447 41 P HA 0.174 nan 4.420 nan 0.000 0.271 41 P C 0.648 177.887 177.300 -0.102 0.000 1.218 41 P CA -0.119 62.962 63.100 -0.030 0.000 0.780 41 P CB 0.389 32.080 31.700 -0.015 0.000 0.901 42 T N 0.327 114.801 114.554 -0.133 0.000 2.720 42 T HA -0.173 4.177 4.350 -0.000 0.000 0.268 42 T C 1.803 176.253 174.700 -0.416 0.000 1.037 42 T CA 2.226 64.160 62.100 -0.275 0.000 1.144 42 T CB -0.721 67.985 68.868 -0.269 0.000 0.864 42 T HN 0.620 nan 8.240 nan 0.000 0.444 43 S N 1.920 117.464 115.700 -0.260 0.000 2.382 43 S HA -0.016 4.454 4.470 -0.000 0.000 0.228 43 S C 2.038 176.559 174.600 -0.131 0.000 1.027 43 S CA 0.570 58.659 58.200 -0.185 0.000 0.991 43 S CB -0.701 62.450 63.200 -0.082 0.000 0.823 43 S HN 0.338 nan 8.310 nan 0.000 0.469 44 L N 1.109 122.253 121.223 -0.132 0.000 2.056 44 L HA 0.002 4.342 4.340 -0.000 0.000 0.207 44 L C 2.291 179.063 176.870 -0.163 0.000 1.078 44 L CA 1.619 56.373 54.840 -0.143 0.000 0.749 44 L CB -0.903 41.074 42.059 -0.136 0.000 0.901 44 L HN 0.270 nan 8.230 nan 0.000 0.433 45 I N -0.005 120.446 120.570 -0.199 0.000 2.163 45 I HA -0.330 3.840 4.170 -0.000 0.000 0.243 45 I C 2.545 178.602 176.117 -0.099 0.000 1.085 45 I CA 1.509 62.640 61.300 -0.281 0.000 1.347 45 I CB -1.465 36.278 38.000 -0.427 0.000 1.044 45 I HN 0.428 nan 8.210 nan 0.000 0.408 46 H N 0.256 119.226 119.070 -0.167 0.000 2.357 46 H HA -0.054 4.502 4.556 -0.000 0.000 0.301 46 H C 2.232 177.502 175.328 -0.098 0.000 1.082 46 H CA 0.954 56.940 56.048 -0.104 0.000 1.342 46 H CB 0.227 29.953 29.762 -0.059 0.000 1.389 46 H HN 0.340 nan 8.280 nan 0.000 0.511 47 A N 1.145 123.977 122.820 0.020 0.000 1.933 47 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 47 A C 2.400 179.928 177.584 -0.093 0.000 1.175 47 A CA 0.920 52.925 52.037 -0.053 0.000 0.628 47 A CB -0.689 18.259 19.000 -0.087 0.000 0.814 47 A HN 0.315 nan 8.150 nan 0.000 0.444 48 L N -0.930 120.230 121.223 -0.104 0.000 2.056 48 L HA -0.183 4.157 4.340 -0.000 0.000 0.207 48 L C 3.049 179.887 176.870 -0.055 0.000 1.078 48 L CA 1.122 55.905 54.840 -0.094 0.000 0.749 48 L CB -0.390 41.609 42.059 -0.099 0.000 0.901 48 L HN 0.455 nan 8.230 nan 0.000 0.433 49 A N -0.346 122.447 122.820 -0.046 0.000 1.933 49 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 49 A C 2.175 179.742 177.584 -0.029 0.000 1.175 49 A CA 1.298 53.324 52.037 -0.019 0.000 0.628 49 A CB -0.629 18.360 19.000 -0.018 0.000 0.814 49 A HN 0.407 nan 8.150 nan 0.000 0.444 50 L N -0.733 120.462 121.223 -0.047 0.000 2.083 50 L HA -0.154 4.186 4.340 -0.000 0.000 0.209 50 L C 2.760 179.584 176.870 -0.077 0.000 1.083 50 L CA 1.714 56.519 54.840 -0.059 0.000 0.752 50 L CB -0.590 41.428 42.059 -0.068 0.000 0.899 50 L HN 0.369 nan 8.230 nan 0.000 0.433 51 T N -0.859 113.643 114.554 -0.087 0.000 2.777 51 T HA -0.133 4.217 4.350 -0.000 0.000 0.266 51 T C 1.913 176.586 174.700 -0.046 0.000 1.040 51 T CA 0.906 62.951 62.100 -0.092 0.000 1.141 51 T CB -0.001 68.809 68.868 -0.098 0.000 0.868 51 T HN 0.150 nan 8.240 nan 0.000 0.444 52 K N 1.099 121.487 120.400 -0.019 0.000 2.097 52 K HA 0.056 4.376 4.320 -0.000 0.000 0.205 52 K C 2.351 178.955 176.600 0.006 0.000 1.050 52 K CA 0.755 57.048 56.287 0.010 0.000 0.938 52 K CB -0.296 32.219 32.500 0.025 0.000 0.718 52 K HN 0.272 nan 8.250 nan 0.000 0.442 53 R N 0.748 121.243 120.500 -0.008 0.000 2.081 53 R HA -0.084 4.256 4.340 -0.000 0.000 0.235 53 R C 2.158 178.448 176.300 -0.017 0.000 1.131 53 R CA 1.405 57.499 56.100 -0.009 0.000 0.960 53 R CB -0.124 30.166 30.300 -0.018 0.000 0.856 53 R HN 0.157 nan 8.270 nan 0.000 0.436 54 A N 0.609 123.407 122.820 -0.038 0.000 1.898 54 A HA -0.053 4.267 4.320 -0.000 0.000 0.216 54 A C 2.323 179.881 177.584 -0.043 0.000 1.181 54 A CA 1.524 53.528 52.037 -0.056 0.000 0.620 54 A CB -0.685 18.257 19.000 -0.097 0.000 0.819 54 A HN 0.509 nan 8.150 nan 0.000 0.442 55 A N -0.104 122.707 122.820 -0.015 0.000 1.933 55 A HA 0.151 4.471 4.320 -0.000 0.000 0.218 55 A C 2.474 180.111 177.584 0.088 0.000 1.175 55 A CA 2.083 54.160 52.037 0.066 0.000 0.628 55 A CB -0.935 18.142 19.000 0.129 0.000 0.814 55 A HN 1.021 nan 8.150 nan 0.000 0.444 56 A N -0.171 122.677 122.820 0.047 0.000 1.898 56 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 56 A C 2.069 179.670 177.584 0.027 0.000 1.181 56 A CA 2.281 54.341 52.037 0.039 0.000 0.620 56 A CB -0.385 18.631 19.000 0.026 0.000 0.819 56 A HN 0.442 nan 8.150 nan 0.000 0.442 57 K N -0.021 120.386 120.400 0.011 0.000 2.057 57 K HA -0.060 4.260 4.320 -0.000 0.000 0.207 57 K C 1.640 178.240 176.600 0.001 0.000 1.049 57 K CA 1.969 58.256 56.287 0.001 0.000 0.931 57 K CB -0.683 31.810 32.500 -0.012 0.000 0.714 57 K HN 0.193 nan 8.250 nan 0.000 0.440 58 V N 1.148 121.063 119.914 0.003 0.000 2.453 58 V HA -0.178 3.942 4.120 -0.000 0.000 0.247 58 V C 1.859 177.981 176.094 0.047 0.000 1.048 58 V CA 2.055 64.358 62.300 0.006 0.000 1.049 58 V CB -0.694 31.105 31.823 -0.040 0.000 0.672 58 V HN 0.418 nan 8.190 nan 0.000 0.457 59 N N -0.265 118.488 118.700 0.088 0.000 2.223 59 N HA -0.228 4.512 4.740 -0.000 0.000 0.185 59 N C 1.967 177.487 175.510 0.016 0.000 1.016 59 N CA 1.304 54.394 53.050 0.066 0.000 0.863 59 N CB -0.018 38.508 38.487 0.066 0.000 0.983 59 N HN 0.599 nan 8.380 nan 0.000 0.429 60 E N 0.928 121.136 120.200 0.013 0.000 2.028 60 E HA -0.196 4.154 4.350 -0.000 0.000 0.191 60 E C 0.920 177.514 176.600 -0.011 0.000 0.988 60 E CA 1.178 57.579 56.400 0.002 0.000 0.799 60 E CB 0.142 29.844 29.700 0.003 0.000 0.755 60 E HN 0.257 nan 8.360 nan 0.000 0.447 61 D N 0.471 120.861 120.400 -0.016 0.000 2.190 61 D HA -0.161 4.479 4.640 -0.000 0.000 0.200 61 D C 1.795 178.062 176.300 -0.055 0.000 0.992 61 D CA 0.876 54.858 54.000 -0.029 0.000 0.854 61 D CB -0.067 40.715 40.800 -0.031 0.000 0.936 61 D HN 0.293 nan 8.370 nan 0.000 0.462 62 L N -0.756 120.419 121.223 -0.080 0.000 2.591 62 L HA 0.184 4.523 4.340 -0.000 0.000 0.228 62 L C 1.335 178.157 176.870 -0.079 0.000 1.133 62 L CA 0.268 55.017 54.840 -0.152 0.000 0.880 62 L CB -0.162 41.739 42.059 -0.263 0.000 1.033 62 L HN 0.067 nan 8.230 nan 0.000 0.450 63 G N 0.578 109.355 108.800 -0.038 0.000 2.176 63 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.252 63 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.252 63 G C 0.680 175.576 174.900 -0.008 0.000 1.024 63 G CA 0.374 45.465 45.100 -0.015 0.000 0.755 63 G HN 0.370 nan 8.290 nan 0.000 0.507 64 L N -1.553 119.663 121.223 -0.011 0.000 2.416 64 L HA 0.456 4.796 4.340 -0.000 0.000 0.216 64 L C 1.380 178.251 176.870 0.002 0.000 1.098 64 L CA 0.378 55.215 54.840 -0.005 0.000 0.840 64 L CB 0.172 42.223 42.059 -0.013 0.000 0.981 64 L HN 0.264 nan 8.230 nan 0.000 0.462 65 L N 0.216 121.442 121.223 0.006 0.000 2.381 65 L HA 0.359 4.699 4.340 -0.000 0.000 0.268 65 L C 0.082 176.959 176.870 0.011 0.000 0.997 65 L CA -0.567 54.280 54.840 0.013 0.000 0.818 65 L CB 2.468 44.538 42.059 0.018 0.000 1.310 65 L HN 0.079 nan 8.230 nan 0.000 0.416 66 S N 1.166 116.875 115.700 0.013 0.000 2.562 66 S HA 0.014 4.484 4.470 -0.000 0.000 0.281 66 S C 0.910 175.516 174.600 0.010 0.000 1.333 66 S CA -0.398 57.809 58.200 0.011 0.000 1.052 66 S CB 1.425 64.634 63.200 0.014 0.000 0.884 66 S HN 0.760 nan 8.310 nan 0.000 0.506 67 E N 1.944 122.148 120.200 0.007 0.000 2.097 67 E HA -0.247 4.102 4.350 -0.000 0.000 0.196 67 E C 1.533 178.137 176.600 0.006 0.000 1.000 67 E CA 1.868 58.272 56.400 0.006 0.000 0.804 67 E CB -0.271 29.431 29.700 0.004 0.000 0.740 67 E HN 0.895 nan 8.360 nan 0.000 0.454 68 E N 0.158 120.362 120.200 0.007 0.000 2.031 68 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 68 E C 2.247 178.850 176.600 0.006 0.000 0.994 68 E CA 1.337 57.740 56.400 0.006 0.000 0.800 68 E CB -0.082 29.621 29.700 0.005 0.000 0.752 68 E HN 0.037 nan 8.360 nan 0.000 0.447 69 K N 0.729 121.134 120.400 0.009 0.000 2.002 69 K HA -0.139 4.181 4.320 -0.000 0.000 0.209 69 K C 1.973 178.580 176.600 0.010 0.000 1.048 69 K CA 1.370 57.663 56.287 0.010 0.000 0.930 69 K CB -0.266 32.245 32.500 0.018 0.000 0.714 69 K HN 0.111 nan 8.250 nan 0.000 0.438 70 A N -0.002 122.825 122.820 0.012 0.000 1.940 70 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 70 A C 2.195 179.785 177.584 0.010 0.000 1.176 70 A CA 2.325 54.369 52.037 0.013 0.000 0.631 70 A CB -1.060 17.948 19.000 0.012 0.000 0.814 70 A HN 0.459 nan 8.150 nan 0.000 0.446 71 S N -0.162 115.542 115.700 0.007 0.000 2.368 71 S HA -0.007 4.463 4.470 -0.000 0.000 0.224 71 S C 2.170 176.774 174.600 0.007 0.000 1.029 71 S CA 1.600 59.804 58.200 0.006 0.000 0.988 71 S CB -0.532 62.671 63.200 0.005 0.000 0.838 71 S HN 0.871 nan 8.310 nan 0.000 0.462 72 A N 1.676 124.499 122.820 0.005 0.000 1.877 72 A HA 0.073 4.393 4.320 -0.000 0.000 0.216 72 A C 2.219 179.807 177.584 0.007 0.000 1.186 72 A CA 1.502 53.541 52.037 0.004 0.000 0.620 72 A CB -0.913 18.085 19.000 -0.003 0.000 0.822 72 A HN 0.628 nan 8.150 nan 0.000 0.443 73 I N -1.193 119.381 120.570 0.007 0.000 2.208 73 I HA -0.290 3.880 4.170 -0.000 0.000 0.245 73 I C 2.760 178.886 176.117 0.016 0.000 1.097 73 I CA 1.784 63.091 61.300 0.012 0.000 1.363 73 I CB -0.282 37.728 38.000 0.016 0.000 1.051 73 I HN 0.294 nan 8.210 nan 0.000 0.413 74 R N 0.386 120.894 120.500 0.013 0.000 2.096 74 R HA -0.208 4.132 4.340 -0.000 0.000 0.235 74 R C 2.366 178.674 176.300 0.014 0.000 1.127 74 R CA 1.419 57.526 56.100 0.011 0.000 0.968 74 R CB -0.177 30.127 30.300 0.006 0.000 0.861 74 R HN 0.373 nan 8.270 nan 0.000 0.440 75 Q N -0.784 119.025 119.800 0.016 0.000 2.119 75 Q HA -0.109 4.231 4.340 -0.000 0.000 0.201 75 Q C 1.853 177.876 176.000 0.039 0.000 0.972 75 Q CA 1.481 57.297 55.803 0.022 0.000 0.847 75 Q CB -0.022 28.727 28.738 0.018 0.000 0.903 75 Q HN 0.434 nan 8.270 nan 0.000 0.433 76 A N 0.511 123.355 122.820 0.040 0.000 1.930 76 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 76 A C 2.212 179.848 177.584 0.086 0.000 1.175 76 A CA 1.447 53.521 52.037 0.061 0.000 0.627 76 A CB -0.748 18.265 19.000 0.022 0.000 0.815 76 A HN 0.507 nan 8.150 nan 0.000 0.443 77 A N 0.146 122.999 122.820 0.055 0.000 1.902 77 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 77 A C 1.735 179.334 177.584 0.026 0.000 1.181 77 A CA 1.822 53.887 52.037 0.047 0.000 0.623 77 A CB -0.548 18.465 19.000 0.020 0.000 0.818 77 A HN 0.441 nan 8.150 nan 0.000 0.443 78 D N -0.172 120.237 120.400 0.016 0.000 2.178 78 D HA -0.117 4.523 4.640 -0.000 0.000 0.201 78 D C 1.860 178.156 176.300 -0.007 0.000 0.980 78 D CA 1.256 55.251 54.000 -0.009 0.000 0.842 78 D CB -0.325 40.473 40.800 -0.004 0.000 0.948 78 D HN 0.663 nan 8.370 nan 0.000 0.472 79 E N 0.179 120.410 120.200 0.052 0.000 2.106 79 E HA -0.087 4.263 4.350 -0.000 0.000 0.192 79 E C 2.256 178.880 176.600 0.039 0.000 0.984 79 E CA 0.445 56.874 56.400 0.050 0.000 0.806 79 E CB 0.218 30.031 29.700 0.188 0.000 0.750 79 E HN 0.108 nan 8.360 nan 0.000 0.458 80 V N 1.562 121.572 119.914 0.161 0.000 2.358 80 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 80 V C 2.296 178.281 176.094 -0.182 0.000 1.047 80 V CA 1.373 63.767 62.300 0.156 0.000 1.035 80 V CB -0.415 31.532 31.823 0.206 0.000 0.658 80 V HN 0.254 nan 8.190 nan 0.000 0.452 81 L N 0.327 121.387 121.223 -0.272 0.000 2.131 81 L HA -0.111 4.229 4.340 -0.000 0.000 0.210 81 L C 2.536 179.195 176.870 -0.351 0.000 1.092 81 L CA 1.441 55.977 54.840 -0.508 0.000 0.759 81 L CB -0.675 41.237 42.059 -0.245 0.000 0.903 81 L HN 0.359 nan 8.230 nan 0.000 0.435 82 A N -0.286 122.436 122.820 -0.163 0.000 2.209 82 A HA 0.186 4.506 4.320 -0.000 0.000 0.212 82 A C 1.691 179.245 177.584 -0.050 0.000 1.158 82 A CA 0.809 52.796 52.037 -0.084 0.000 0.742 82 A CB -0.609 18.354 19.000 -0.061 0.000 0.790 82 A HN 0.541 nan 8.150 nan 0.000 0.472 83 G N -0.991 107.780 108.800 -0.048 0.000 2.182 83 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.248 83 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.248 83 G C 0.455 175.353 174.900 -0.002 0.000 1.042 83 G CA 0.516 45.658 45.100 0.070 0.000 0.775 83 G HN 0.590 nan 8.290 nan 0.000 0.501 84 Q N -0.917 118.800 119.800 -0.138 0.000 2.424 84 Q HA 0.106 4.446 4.340 -0.000 0.000 0.204 84 Q C 0.930 176.656 176.000 -0.455 0.000 0.933 84 Q CA 0.572 56.174 55.803 -0.335 0.000 0.929 84 Q CB 0.306 28.734 28.738 -0.518 0.000 1.037 84 Q HN 0.768 nan 8.270 nan 0.000 0.511 85 H N -0.430 118.733 119.070 0.155 0.000 2.575 85 H HA 0.142 4.698 4.556 -0.000 0.000 0.256 85 H C 0.086 175.595 175.328 0.301 0.000 1.162 85 H CA -0.265 55.892 56.048 0.181 0.000 0.969 85 H CB 0.647 30.515 29.762 0.176 0.000 1.796 85 H HN 0.165 nan 8.280 nan 0.000 0.607 86 D N 1.144 121.746 120.400 0.336 0.000 2.228 86 D HA -0.148 4.492 4.640 -0.000 0.000 0.203 86 D C 1.593 178.098 176.300 0.340 0.000 0.988 86 D CA 1.290 55.503 54.000 0.356 0.000 0.864 86 D CB 0.066 40.994 40.800 0.214 0.000 0.928 86 D HN 0.600 nan 8.370 nan 0.000 0.469 87 D N 0.337 120.882 120.400 0.242 0.000 2.349 87 D HA -0.101 4.539 4.640 -0.000 0.000 0.224 87 D C 0.914 177.341 176.300 0.211 0.000 1.029 87 D CA 0.327 54.447 54.000 0.201 0.000 0.879 87 D CB -0.067 40.821 40.800 0.147 0.000 0.906 87 D HN 0.110 nan 8.370 nan 0.000 0.528 88 E N -0.114 120.142 120.200 0.092 0.000 2.465 88 E HA 0.080 4.430 4.350 -0.000 0.000 0.191 88 E C -0.380 175.908 176.600 -0.521 0.000 1.053 88 E CA -0.097 56.230 56.400 -0.123 0.000 0.869 88 E CB -0.022 29.427 29.700 -0.419 0.000 0.977 88 E HN 0.369 nan 8.360 nan 0.000 0.483 89 F N 1.669 121.702 119.950 0.139 0.000 2.564 89 F HA 0.269 4.796 4.527 -0.000 0.000 0.361 89 F C -1.489 174.259 175.800 -0.088 0.000 1.161 89 F CA -1.826 56.167 58.000 -0.011 0.000 1.198 89 F CB 1.444 40.461 39.000 0.028 0.000 1.424 89 F HN -0.142 nan 8.300 nan 0.000 0.517 90 P HA 0.059 nan 4.420 nan 0.000 0.255 90 P C 0.148 177.361 177.300 -0.144 0.000 1.248 90 P CA 0.460 63.460 63.100 -0.167 0.000 0.807 90 P CB 0.657 32.143 31.700 -0.356 0.000 1.150 91 L N 0.524 121.657 121.223 -0.150 0.000 2.456 91 L HA 0.271 4.611 4.340 -0.000 0.000 0.272 91 L C 1.114 177.929 176.870 -0.092 0.000 1.189 91 L CA -0.676 54.090 54.840 -0.124 0.000 0.846 91 L CB 0.161 42.135 42.059 -0.141 0.000 1.111 91 L HN -0.033 nan 8.230 nan 0.000 0.475 92 A N 3.286 126.056 122.820 -0.082 0.000 2.313 92 A HA 0.296 4.616 4.320 -0.000 0.000 0.261 92 A C 1.168 178.575 177.584 -0.294 0.000 1.090 92 A CA -0.515 51.457 52.037 -0.109 0.000 0.807 92 A CB 0.420 19.450 19.000 0.051 0.000 1.055 92 A HN 0.709 nan 8.150 nan 0.000 0.492 93 I N -1.138 119.085 120.570 -0.579 0.000 2.394 93 I HA -0.155 4.015 4.170 -0.000 0.000 0.251 93 I C 0.559 176.137 176.117 -0.898 0.000 1.136 93 I CA 0.831 61.611 61.300 -0.867 0.000 1.425 93 I CB -0.867 36.280 38.000 -1.422 0.000 1.079 93 I HN 0.729 nan 8.210 nan 0.000 0.425 94 W N 3.957 125.186 121.300 -0.118 0.000 1.606 94 W HA 0.266 4.926 4.660 -0.000 0.000 0.455 94 W C 1.034 177.442 176.519 -0.186 0.000 0.711 94 W CA -0.648 56.639 57.345 -0.096 0.000 1.876 94 W CB -0.753 28.699 29.460 -0.013 0.000 1.776 94 W HN 0.248 nan 8.180 nan 0.000 0.229 95 Q N -0.541 119.054 119.800 -0.343 0.000 3.375 95 Q HA 0.520 4.860 4.340 -0.000 0.000 0.295 95 Q C 0.268 175.881 176.000 -0.645 0.000 0.996 95 Q CA -1.058 54.235 55.803 -0.850 0.000 0.801 95 Q CB 0.231 28.532 28.738 -0.728 0.000 2.066 95 Q HN 0.028 nan 8.270 nan 0.000 0.424 96 T N -1.826 112.335 114.554 -0.654 0.000 2.928 96 T HA 0.202 4.552 4.350 -0.000 0.000 0.305 96 T C 1.176 175.668 174.700 -0.346 0.000 1.035 96 T CA -0.036 61.840 62.100 -0.374 0.000 1.145 96 T CB 0.623 69.319 68.868 -0.286 0.000 0.963 96 T HN 0.756 nan 8.240 nan 0.000 0.545 97 G N 1.606 110.239 108.800 -0.279 0.000 2.586 97 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.215 97 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.215 97 G C 1.464 176.217 174.900 -0.246 0.000 1.128 97 G CA 0.512 45.449 45.100 -0.273 0.000 0.774 97 G HN 0.949 nan 8.290 nan 0.000 0.543 98 S N -1.298 114.238 115.700 -0.272 0.000 2.524 98 S HA 0.371 4.841 4.470 -0.000 0.000 0.216 98 S C 1.806 176.082 174.600 -0.542 0.000 0.987 98 S CA 0.880 58.926 58.200 -0.257 0.000 0.909 98 S CB 0.202 63.309 63.200 -0.155 0.000 0.781 98 S HN 1.387 nan 8.310 nan 0.000 0.521 99 G N 0.906 109.242 108.800 -0.774 0.000 2.136 99 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.242 99 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.242 99 G C 0.662 175.194 174.900 -0.613 0.000 0.989 99 G CA 0.539 44.873 45.100 -1.278 0.000 0.682 99 G HN 0.447 nan 8.290 nan 0.000 0.522 100 T N 0.394 114.731 114.554 -0.361 0.000 2.684 100 T HA -0.166 4.184 4.350 -0.000 0.000 0.267 100 T C 2.363 176.975 174.700 -0.146 0.000 1.036 100 T CA 2.080 64.070 62.100 -0.184 0.000 1.148 100 T CB -0.201 68.585 68.868 -0.136 0.000 0.863 100 T HN 0.648 nan 8.240 nan 0.000 0.436 101 Q N 0.519 120.202 119.800 -0.195 0.000 2.124 101 Q HA -0.050 4.290 4.340 -0.000 0.000 0.202 101 Q C 2.682 178.620 176.000 -0.103 0.000 0.977 101 Q CA 1.394 57.108 55.803 -0.149 0.000 0.850 101 Q CB -0.180 28.434 28.738 -0.207 0.000 0.901 101 Q HN 0.358 nan 8.270 nan 0.000 0.429 102 S N 0.697 116.325 115.700 -0.120 0.000 2.428 102 S HA -0.106 4.364 4.470 -0.000 0.000 0.230 102 S C 1.595 176.242 174.600 0.078 0.000 1.014 102 S CA 0.998 59.200 58.200 0.004 0.000 0.957 102 S CB -0.189 63.042 63.200 0.051 0.000 0.784 102 S HN 0.363 nan 8.310 nan 0.000 0.499 103 N N 1.649 120.377 118.700 0.047 0.000 2.106 103 N HA -0.045 4.695 4.740 -0.000 0.000 0.188 103 N C 1.663 177.214 175.510 0.068 0.000 1.029 103 N CA 1.366 54.466 53.050 0.083 0.000 0.848 103 N CB -0.237 38.286 38.487 0.060 0.000 1.007 103 N HN 0.118 nan 8.380 nan 0.000 0.423 104 M N 0.652 120.271 119.600 0.032 0.000 2.213 104 M HA -0.071 4.409 4.480 -0.000 0.000 0.263 104 M C 1.764 178.100 176.300 0.060 0.000 1.062 104 M CA 0.917 56.238 55.300 0.036 0.000 1.105 104 M CB -1.640 30.966 32.600 0.010 0.000 1.385 104 M HN 0.318 nan 8.290 nan 0.000 0.417 105 N N 0.712 119.453 118.700 0.068 0.000 2.084 105 N HA -0.175 4.565 4.740 -0.000 0.000 0.190 105 N C 1.583 177.220 175.510 0.210 0.000 1.030 105 N CA 1.541 54.654 53.050 0.104 0.000 0.849 105 N CB -0.217 38.357 38.487 0.144 0.000 1.012 105 N HN 0.191 nan 8.380 nan 0.000 0.423 106 M N 0.883 120.649 119.600 0.276 0.000 2.175 106 M HA -0.001 4.479 4.480 -0.000 0.000 0.264 106 M C 1.344 177.748 176.300 0.174 0.000 1.063 106 M CA 1.306 56.797 55.300 0.318 0.000 1.119 106 M CB -0.583 32.143 32.600 0.210 0.000 1.377 106 M HN 0.096 nan 8.290 nan 0.000 0.415 107 N N 0.440 119.210 118.700 0.117 0.000 2.120 107 N HA -0.154 4.586 4.740 -0.000 0.000 0.188 107 N C 1.627 177.175 175.510 0.064 0.000 1.024 107 N CA 1.782 54.879 53.050 0.079 0.000 0.852 107 N CB -0.367 38.158 38.487 0.064 0.000 1.003 107 N HN 0.579 nan 8.380 nan 0.000 0.424 108 E N 0.285 120.526 120.200 0.069 0.000 2.047 108 E HA -0.076 4.274 4.350 -0.000 0.000 0.191 108 E C 2.035 178.652 176.600 0.027 0.000 0.987 108 E CA 0.799 57.233 56.400 0.055 0.000 0.799 108 E CB 0.003 29.754 29.700 0.086 0.000 0.752 108 E HN 0.044 nan 8.360 nan 0.000 0.449 109 V N 1.251 121.182 119.914 0.028 0.000 2.295 109 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 109 V C 2.245 178.307 176.094 -0.052 0.000 1.049 109 V CA 1.315 63.586 62.300 -0.048 0.000 1.024 109 V CB -0.350 31.405 31.823 -0.114 0.000 0.648 109 V HN 0.198 nan 8.190 nan 0.000 0.447 110 L N 0.233 121.464 121.223 0.014 0.000 2.046 110 L HA -0.089 4.251 4.340 -0.000 0.000 0.208 110 L C 2.558 179.418 176.870 -0.018 0.000 1.077 110 L CA 2.204 57.048 54.840 0.007 0.000 0.747 110 L CB -1.396 40.690 42.059 0.046 0.000 0.896 110 L HN 0.298 nan 8.230 nan 0.000 0.432 111 A N -0.475 122.337 122.820 -0.014 0.000 1.845 111 A HA -0.216 4.104 4.320 -0.000 0.000 0.215 111 A C 2.157 179.700 177.584 -0.068 0.000 1.195 111 A CA 1.852 53.866 52.037 -0.039 0.000 0.616 111 A CB -0.685 18.297 19.000 -0.030 0.000 0.832 111 A HN 0.467 nan 8.150 nan 0.000 0.443 112 N N -0.644 118.016 118.700 -0.067 0.000 2.149 112 N HA -0.167 4.573 4.740 -0.000 0.000 0.188 112 N C 1.857 177.315 175.510 -0.087 0.000 1.019 112 N CA 1.603 54.604 53.050 -0.082 0.000 0.857 112 N CB -0.392 38.044 38.487 -0.084 0.000 0.997 112 N HN 0.464 nan 8.380 nan 0.000 0.426 113 R N 1.099 121.542 120.500 -0.096 0.000 2.075 113 R HA 0.173 4.513 4.340 -0.000 0.000 0.226 113 R C 1.886 178.154 176.300 -0.054 0.000 1.114 113 R CA 1.386 57.429 56.100 -0.094 0.000 0.972 113 R CB -0.868 29.338 30.300 -0.156 0.000 0.869 113 R HN 0.133 nan 8.270 nan 0.000 0.437 114 A N -0.530 122.262 122.820 -0.046 0.000 1.972 114 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 114 A C 2.255 179.816 177.584 -0.039 0.000 1.169 114 A CA 1.827 53.846 52.037 -0.030 0.000 0.635 114 A CB -0.927 18.059 19.000 -0.024 0.000 0.810 114 A HN 0.455 nan 8.150 nan 0.000 0.446 115 S N -0.319 115.346 115.700 -0.059 0.000 2.356 115 S HA -0.208 4.262 4.470 -0.000 0.000 0.223 115 S C 1.900 176.472 174.600 -0.047 0.000 1.032 115 S CA 1.713 59.873 58.200 -0.066 0.000 1.005 115 S CB -0.378 62.767 63.200 -0.090 0.000 0.867 115 S HN 0.683 nan 8.310 nan 0.000 0.449 116 E N 0.278 120.452 120.200 -0.044 0.000 2.077 116 E HA -0.131 4.219 4.350 -0.000 0.000 0.193 116 E C 2.000 178.589 176.600 -0.020 0.000 0.989 116 E CA 1.033 57.414 56.400 -0.032 0.000 0.800 116 E CB -0.246 29.436 29.700 -0.031 0.000 0.746 116 E HN 0.327 nan 8.360 nan 0.000 0.452 117 L N 0.474 121.688 121.223 -0.016 0.000 2.191 117 L HA -0.136 4.204 4.340 -0.000 0.000 0.212 117 L C 1.939 178.804 176.870 -0.008 0.000 1.103 117 L CA 1.429 56.265 54.840 -0.006 0.000 0.769 117 L CB -0.297 41.761 42.059 -0.001 0.000 0.908 117 L HN 0.164 nan 8.230 nan 0.000 0.438 118 L N -1.244 119.970 121.223 -0.015 0.000 2.629 118 L HA 0.226 4.566 4.340 -0.000 0.000 0.230 118 L C 1.315 178.177 176.870 -0.013 0.000 1.151 118 L CA 0.523 55.355 54.840 -0.013 0.000 0.924 118 L CB -0.532 41.517 42.059 -0.017 0.000 1.137 118 L HN 0.475 nan 8.230 nan 0.000 0.457 119 G N -0.063 108.729 108.800 -0.014 0.000 2.143 119 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.249 119 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.249 119 G C 0.463 175.352 174.900 -0.017 0.000 0.981 119 G CA -0.035 45.057 45.100 -0.013 0.000 0.665 119 G HN 0.514 nan 8.290 nan 0.000 0.528 120 G N -1.720 107.066 108.800 -0.024 0.000 2.606 120 G HA2 0.774 4.734 3.960 -0.000 0.000 0.262 120 G HA3 0.774 4.734 3.960 -0.000 0.000 0.262 120 G C -0.219 174.661 174.900 -0.034 0.000 1.394 120 G CA 0.077 45.159 45.100 -0.030 0.000 1.044 120 G HN 1.160 nan 8.290 nan 0.000 0.553 121 V N -0.692 119.198 119.914 -0.040 0.000 3.113 121 V HA 0.711 4.831 4.120 -0.000 0.000 0.316 121 V C 0.022 176.082 176.094 -0.056 0.000 1.125 121 V CA -1.073 61.201 62.300 -0.043 0.000 1.026 121 V CB 2.006 33.807 31.823 -0.036 0.000 1.080 121 V HN 1.018 nan 8.190 nan 0.000 0.444 122 R N 2.653 123.117 120.500 -0.060 0.000 2.528 122 R HA 0.842 5.182 4.340 -0.000 0.000 0.271 122 R C 0.250 176.513 176.300 -0.062 0.000 1.056 122 R CA 0.472 56.530 56.100 -0.070 0.000 1.117 122 R CB 0.997 31.247 30.300 -0.085 0.000 1.085 122 R HN 1.686 nan 8.270 nan 0.000 0.530 123 G N 0.759 109.524 108.800 -0.060 0.000 2.549 123 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.404 123 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.404 123 G C 0.297 175.181 174.900 -0.027 0.000 1.292 123 G CA -0.225 44.850 45.100 -0.042 0.000 0.935 123 G HN 0.472 nan 8.290 nan 0.000 0.512 124 M N 1.011 120.605 119.600 -0.009 0.000 2.435 124 M HA 0.001 4.481 4.480 -0.000 0.000 0.262 124 M C 2.024 178.335 176.300 0.019 0.000 1.065 124 M CA 2.237 57.545 55.300 0.013 0.000 1.076 124 M CB -1.341 31.269 32.600 0.018 0.000 1.403 124 M HN 0.768 nan 8.290 nan 0.000 0.454 125 E N 1.048 121.247 120.200 -0.002 0.000 2.411 125 E HA 0.172 4.522 4.350 -0.000 0.000 0.204 125 E C -0.109 176.473 176.600 -0.030 0.000 1.059 125 E CA -0.389 56.012 56.400 0.002 0.000 1.112 125 E CB -0.195 29.506 29.700 0.000 0.000 1.168 125 E HN 0.470 nan 8.360 nan 0.000 0.445 126 R N 0.866 121.324 120.500 -0.069 0.000 2.594 126 R HA 0.208 4.548 4.340 -0.000 0.000 0.272 126 R C 0.301 176.469 176.300 -0.220 0.000 1.074 126 R CA -0.457 55.562 56.100 -0.137 0.000 1.105 126 R CB 0.962 31.163 30.300 -0.165 0.000 1.008 126 R HN -0.068 nan 8.270 nan 0.000 0.472 127 K N 0.927 121.221 120.400 -0.177 0.000 2.167 127 K HA 0.051 4.371 4.320 -0.000 0.000 0.203 127 K C 0.187 176.638 176.600 -0.249 0.000 1.052 127 K CA 0.605 56.804 56.287 -0.147 0.000 0.956 127 K CB 0.341 32.801 32.500 -0.066 0.000 0.735 127 K HN 0.329 nan 8.250 nan 0.000 0.451 128 V N 2.354 122.092 119.914 -0.293 0.000 2.483 128 V HA 0.148 4.268 4.120 -0.000 0.000 0.295 128 V C -0.307 175.531 176.094 -0.427 0.000 1.035 128 V CA -0.875 61.278 62.300 -0.245 0.000 0.896 128 V CB 1.413 33.174 31.823 -0.102 0.000 0.986 128 V HN 0.218 nan 8.190 nan 0.000 0.447 129 H N 4.772 123.844 119.070 0.003 0.000 2.459 129 H HA 0.285 4.841 4.556 -0.000 0.000 0.332 129 H C -1.897 173.437 175.328 0.009 0.000 1.094 129 H CA -1.903 54.148 56.048 0.005 0.000 1.224 129 H CB 2.184 31.948 29.762 0.003 0.000 1.449 129 H HN 0.357 nan 8.280 nan 0.000 0.484 130 P HA -0.201 nan 4.420 nan 0.000 0.213 130 P C 1.451 178.793 177.300 0.070 0.000 1.170 130 P CA 1.363 64.504 63.100 0.068 0.000 0.902 130 P CB 0.574 32.312 31.700 0.064 0.000 0.789 131 N N -1.174 117.571 118.700 0.075 0.000 2.258 131 N HA -0.106 4.634 4.740 -0.000 0.000 0.183 131 N C 1.595 177.131 175.510 0.044 0.000 1.029 131 N CA 1.077 54.157 53.050 0.049 0.000 0.857 131 N CB -0.681 37.826 38.487 0.033 0.000 1.008 131 N HN -0.122 nan 8.380 nan 0.000 0.433 132 D N 0.557 120.989 120.400 0.054 0.000 2.104 132 D HA -0.130 4.510 4.640 -0.000 0.000 0.194 132 D C 1.083 177.413 176.300 0.050 0.000 0.994 132 D CA 1.404 55.424 54.000 0.034 0.000 0.830 132 D CB 0.042 40.840 40.800 -0.004 0.000 0.959 132 D HN 0.268 nan 8.370 nan 0.000 0.452 133 D N -1.090 119.362 120.400 0.088 0.000 2.414 133 D HA 0.003 4.643 4.640 -0.000 0.000 0.237 133 D C 2.280 178.609 176.300 0.048 0.000 0.975 133 D CA 0.463 54.503 54.000 0.067 0.000 0.917 133 D CB -0.164 40.686 40.800 0.082 0.000 1.061 133 D HN 0.116 nan 8.370 nan 0.000 0.480 134 V N 1.275 121.219 119.914 0.051 0.000 2.548 134 V HA -0.125 3.995 4.120 -0.000 0.000 0.249 134 V C 1.624 177.744 176.094 0.044 0.000 1.055 134 V CA 1.280 63.607 62.300 0.044 0.000 1.065 134 V CB -0.518 31.331 31.823 0.043 0.000 0.681 134 V HN 0.058 nan 8.190 nan 0.000 0.462 135 N N 0.038 118.762 118.700 0.041 0.000 2.268 135 N HA 0.062 4.802 4.740 -0.000 0.000 0.204 135 N C 0.541 176.059 175.510 0.014 0.000 1.124 135 N CA -0.047 53.022 53.050 0.033 0.000 0.838 135 N CB -0.131 38.374 38.487 0.030 0.000 0.994 135 N HN 0.396 nan 8.380 nan 0.000 0.489 136 K N 0.316 120.722 120.400 0.011 0.000 2.472 136 K HA -0.031 4.289 4.320 -0.000 0.000 0.280 136 K C 0.086 176.644 176.600 -0.070 0.000 1.028 136 K CA 0.675 56.950 56.287 -0.020 0.000 1.045 136 K CB 0.125 32.622 32.500 -0.006 0.000 0.902 136 K HN 0.192 nan 8.250 nan 0.000 0.478 137 S N 1.169 116.786 115.700 -0.138 0.000 3.382 137 S HA -0.203 4.267 4.470 -0.000 0.000 0.293 137 S C -0.516 173.930 174.600 -0.257 0.000 1.262 137 S CA 1.262 59.276 58.200 -0.309 0.000 0.969 137 S CB -1.290 61.536 63.200 -0.624 0.000 1.136 137 S HN 0.816 nan 8.310 nan 0.000 0.635 138 Q N -0.266 119.482 119.800 -0.086 0.000 2.633 138 Q HA 0.838 5.178 4.340 -0.000 0.000 0.292 138 Q C -0.457 175.539 176.000 -0.007 0.000 1.089 138 Q CA -0.607 55.191 55.803 -0.008 0.000 0.811 138 Q CB 2.161 30.927 28.738 0.047 0.000 1.472 138 Q HN 0.203 nan 8.270 nan 0.000 0.464 139 S N -1.343 114.365 115.700 0.013 0.000 2.550 139 S HA 0.281 4.751 4.470 -0.000 0.000 0.270 139 S C -0.141 174.473 174.600 0.022 0.000 1.145 139 S CA -0.508 57.697 58.200 0.009 0.000 0.852 139 S CB 1.663 64.863 63.200 0.001 0.000 1.119 139 S HN 0.549 nan 8.310 nan 0.000 0.465 140 S N 2.706 118.416 115.700 0.016 0.000 2.400 140 S HA -0.114 4.356 4.470 -0.000 0.000 0.232 140 S C 1.601 176.224 174.600 0.039 0.000 1.025 140 S CA 1.579 59.794 58.200 0.024 0.000 0.993 140 S CB -0.532 62.657 63.200 -0.020 0.000 0.808 140 S HN 0.761 nan 8.310 nan 0.000 0.478 141 N N 2.097 120.808 118.700 0.019 0.000 2.205 141 N HA -0.118 4.622 4.740 -0.000 0.000 0.186 141 N C 1.243 176.767 175.510 0.024 0.000 1.015 141 N CA 1.561 54.623 53.050 0.022 0.000 0.862 141 N CB -0.346 38.148 38.487 0.012 0.000 0.986 141 N HN 0.666 nan 8.380 nan 0.000 0.429 142 D N -0.846 119.565 120.400 0.018 0.000 2.423 142 D HA 0.060 4.700 4.640 -0.000 0.000 0.208 142 D C 1.623 177.924 176.300 0.001 0.000 1.068 142 D CA 0.036 54.035 54.000 -0.001 0.000 0.860 142 D CB -0.372 40.425 40.800 -0.005 0.000 0.992 142 D HN -0.001 nan 8.370 nan 0.000 0.504 143 V N 0.279 120.213 119.914 0.034 0.000 2.346 143 V HA -0.095 4.025 4.120 -0.000 0.000 0.244 143 V C 2.199 178.311 176.094 0.031 0.000 1.037 143 V CA 1.163 63.482 62.300 0.031 0.000 1.029 143 V CB -0.714 31.145 31.823 0.059 0.000 0.663 143 V HN 0.043 nan 8.190 nan 0.000 0.454 144 F N 1.402 121.313 119.950 -0.064 0.000 2.134 144 F HA -0.061 4.466 4.527 -0.000 0.000 0.299 144 F C -0.150 175.596 175.800 -0.091 0.000 1.097 144 F CA 1.777 59.734 58.000 -0.072 0.000 1.264 144 F CB -1.377 37.583 39.000 -0.067 0.000 1.001 144 F HN 0.245 nan 8.300 nan 0.000 0.479 145 P HA -0.113 nan 4.420 nan 0.000 0.217 145 P C 1.635 178.755 177.300 -0.299 0.000 1.150 145 P CA 2.144 65.149 63.100 -0.158 0.000 0.832 145 P CB -0.157 31.466 31.700 -0.128 0.000 0.787 146 T N -0.609 113.809 114.554 -0.227 0.000 2.737 146 T HA -0.113 4.237 4.350 -0.000 0.000 0.265 146 T C 1.897 176.462 174.700 -0.224 0.000 1.038 146 T CA 1.604 63.567 62.100 -0.227 0.000 1.144 146 T CB -0.934 67.832 68.868 -0.170 0.000 0.866 146 T HN 0.027 nan 8.240 nan 0.000 0.434 147 A N 1.159 123.829 122.820 -0.250 0.000 1.972 147 A HA -0.043 4.277 4.320 -0.000 0.000 0.219 147 A C 2.306 179.725 177.584 -0.275 0.000 1.169 147 A CA 1.404 53.278 52.037 -0.272 0.000 0.635 147 A CB -0.684 18.117 19.000 -0.331 0.000 0.810 147 A HN 0.457 nan 8.150 nan 0.000 0.446 148 M N -1.611 117.794 119.600 -0.324 0.000 2.086 148 M HA -0.158 4.322 4.480 -0.000 0.000 0.261 148 M C 2.161 178.452 176.300 -0.015 0.000 1.067 148 M CA 1.628 56.800 55.300 -0.214 0.000 1.116 148 M CB -0.464 32.023 32.600 -0.188 0.000 1.348 148 M HN 0.483 nan 8.290 nan 0.000 0.407 149 H N -0.625 118.343 119.070 -0.171 0.000 2.389 149 H HA -0.035 4.521 4.556 -0.000 0.000 0.299 149 H C 2.164 177.515 175.328 0.038 0.000 1.081 149 H CA 1.277 57.278 56.048 -0.078 0.000 1.345 149 H CB -0.632 29.115 29.762 -0.024 0.000 1.393 149 H HN 0.128 nan 8.280 nan 0.000 0.520 150 V N 0.634 120.584 119.914 0.061 0.000 2.307 150 V HA -0.240 3.880 4.120 -0.000 0.000 0.245 150 V C 2.610 178.766 176.094 0.103 0.000 1.045 150 V CA 1.642 63.949 62.300 0.012 0.000 1.024 150 V CB -1.068 30.610 31.823 -0.241 0.000 0.651 150 V HN 0.532 nan 8.190 nan 0.000 0.449 151 A N 0.112 122.940 122.820 0.014 0.000 1.858 151 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 151 A C 2.450 180.076 177.584 0.069 0.000 1.190 151 A CA 2.295 54.344 52.037 0.020 0.000 0.617 151 A CB -0.983 17.993 19.000 -0.039 0.000 0.827 151 A HN 0.568 nan 8.150 nan 0.000 0.443 152 A N -0.717 122.129 122.820 0.044 0.000 1.883 152 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 152 A C 2.180 179.829 177.584 0.108 0.000 1.186 152 A CA 1.872 53.955 52.037 0.076 0.000 0.624 152 A CB -0.689 18.152 19.000 -0.266 0.000 0.822 152 A HN 0.666 nan 8.150 nan 0.000 0.444 153 L N -0.254 121.019 121.223 0.084 0.000 2.027 153 L HA -0.077 4.263 4.340 -0.000 0.000 0.206 153 L C 2.349 179.257 176.870 0.063 0.000 1.074 153 L CA 1.614 56.490 54.840 0.060 0.000 0.745 153 L CB -0.479 41.602 42.059 0.036 0.000 0.898 153 L HN 0.416 nan 8.230 nan 0.000 0.433 154 L N -0.809 120.488 121.223 0.125 0.000 2.046 154 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 154 L C 2.672 179.579 176.870 0.063 0.000 1.077 154 L CA 1.204 56.100 54.840 0.095 0.000 0.747 154 L CB -1.004 41.132 42.059 0.128 0.000 0.896 154 L HN 0.373 nan 8.230 nan 0.000 0.432 155 A N 0.218 123.083 122.820 0.074 0.000 1.877 155 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 155 A C 2.266 179.875 177.584 0.043 0.000 1.186 155 A CA 1.499 53.570 52.037 0.058 0.000 0.620 155 A CB -0.716 18.331 19.000 0.080 0.000 0.822 155 A HN 0.346 nan 8.150 nan 0.000 0.443 156 L N -1.324 119.936 121.223 0.063 0.000 2.017 156 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 156 L C 2.931 179.805 176.870 0.006 0.000 1.073 156 L CA 1.646 56.508 54.840 0.037 0.000 0.745 156 L CB -0.409 41.689 42.059 0.064 0.000 0.894 156 L HN 0.347 nan 8.230 nan 0.000 0.432 157 R N -0.122 120.379 120.500 0.002 0.000 2.073 157 R HA -0.096 4.244 4.340 -0.000 0.000 0.229 157 R C 2.166 178.461 176.300 -0.009 0.000 1.120 157 R CA 1.147 57.238 56.100 -0.015 0.000 0.967 157 R CB -0.025 30.256 30.300 -0.032 0.000 0.862 157 R HN 0.303 nan 8.270 nan 0.000 0.436 158 K N -0.596 119.806 120.400 0.003 0.000 2.323 158 K HA 0.024 4.344 4.320 -0.000 0.000 0.197 158 K C 1.708 178.309 176.600 0.002 0.000 1.043 158 K CA 0.653 56.943 56.287 0.005 0.000 0.997 158 K CB 0.433 32.943 32.500 0.016 0.000 0.807 158 K HN 0.044 nan 8.250 nan 0.000 0.497 159 Q N 0.126 119.927 119.800 0.001 0.000 2.530 159 Q HA 0.120 4.460 4.340 -0.000 0.000 0.198 159 Q C 1.826 177.816 176.000 -0.016 0.000 0.956 159 Q CA 0.031 55.830 55.803 -0.006 0.000 0.870 159 Q CB -0.058 28.676 28.738 -0.006 0.000 1.050 159 Q HN 0.010 nan 8.270 nan 0.000 0.604 160 L N 1.195 122.405 121.223 -0.022 0.000 1.943 160 L HA -0.188 4.152 4.340 -0.000 0.000 0.215 160 L C 2.093 178.945 176.870 -0.031 0.000 1.074 160 L CA 1.967 56.786 54.840 -0.035 0.000 0.759 160 L CB -0.888 41.142 42.059 -0.047 0.000 0.888 160 L HN 0.392 nan 8.230 nan 0.000 0.433 161 I N 0.232 120.785 120.570 -0.028 0.000 2.151 161 I HA -0.287 3.883 4.170 -0.000 0.000 0.243 161 I C -0.279 175.823 176.117 -0.025 0.000 1.080 161 I CA 1.593 62.876 61.300 -0.030 0.000 1.339 161 I CB -1.628 36.353 38.000 -0.032 0.000 1.039 161 I HN 0.280 nan 8.210 nan 0.000 0.409 162 P HA -0.164 nan 4.420 nan 0.000 0.216 162 P C 1.516 178.807 177.300 -0.015 0.000 1.153 162 P CA 1.193 64.283 63.100 -0.017 0.000 0.848 162 P CB -0.031 31.661 31.700 -0.014 0.000 0.787 163 Q N -0.910 118.881 119.800 -0.015 0.000 2.119 163 Q HA -0.124 4.216 4.340 -0.000 0.000 0.201 163 Q C 2.120 178.116 176.000 -0.006 0.000 0.972 163 Q CA 1.044 56.840 55.803 -0.011 0.000 0.847 163 Q CB -1.388 27.342 28.738 -0.013 0.000 0.903 163 Q HN 0.233 nan 8.270 nan 0.000 0.433 164 L N 1.317 122.532 121.223 -0.013 0.000 2.046 164 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 164 L C 1.930 178.799 176.870 -0.003 0.000 1.077 164 L CA 1.868 56.701 54.840 -0.011 0.000 0.747 164 L CB -0.384 41.661 42.059 -0.023 0.000 0.896 164 L HN 0.032 nan 8.230 nan 0.000 0.432 165 K N -1.333 119.061 120.400 -0.010 0.000 2.057 165 K HA -0.118 4.202 4.320 -0.000 0.000 0.207 165 K C 1.881 178.480 176.600 -0.002 0.000 1.049 165 K CA 1.824 58.105 56.287 -0.010 0.000 0.931 165 K CB -0.383 32.106 32.500 -0.018 0.000 0.714 165 K HN 0.381 nan 8.250 nan 0.000 0.440 166 T N 1.943 116.496 114.554 -0.002 0.000 2.746 166 T HA -0.133 4.217 4.350 -0.000 0.000 0.267 166 T C 1.706 176.415 174.700 0.015 0.000 1.039 166 T CA 0.982 63.082 62.100 0.000 0.000 1.142 166 T CB -0.179 68.685 68.868 -0.006 0.000 0.866 166 T HN 0.071 nan 8.240 nan 0.000 0.444 167 L N 1.148 122.389 121.223 0.030 0.000 2.093 167 L HA -0.044 4.296 4.340 -0.000 0.000 0.208 167 L C 2.439 179.353 176.870 0.073 0.000 1.085 167 L CA 1.765 56.643 54.840 0.063 0.000 0.755 167 L CB -1.184 40.928 42.059 0.087 0.000 0.904 167 L HN 0.179 nan 8.230 nan 0.000 0.435 168 T N -0.942 113.643 114.554 0.052 0.000 2.746 168 T HA -0.244 4.106 4.350 -0.000 0.000 0.267 168 T C 1.742 176.467 174.700 0.042 0.000 1.039 168 T CA 1.648 63.781 62.100 0.055 0.000 1.142 168 T CB -0.183 68.703 68.868 0.030 0.000 0.866 168 T HN 0.482 nan 8.240 nan 0.000 0.444 169 Q N 0.385 120.198 119.800 0.022 0.000 2.050 169 Q HA -0.157 4.183 4.340 -0.000 0.000 0.202 169 Q C 2.308 178.313 176.000 0.008 0.000 0.980 169 Q CA 1.738 57.545 55.803 0.007 0.000 0.840 169 Q CB -0.293 28.443 28.738 -0.004 0.000 0.898 169 Q HN 0.456 nan 8.270 nan 0.000 0.424 170 T N 1.529 116.093 114.554 0.018 0.000 2.652 170 T HA -0.161 4.189 4.350 -0.000 0.000 0.267 170 T C 1.715 176.437 174.700 0.036 0.000 1.039 170 T CA 1.183 63.292 62.100 0.016 0.000 1.153 170 T CB -0.228 68.653 68.868 0.021 0.000 0.863 170 T HN 0.147 nan 8.240 nan 0.000 0.428 171 L N 1.962 123.239 121.223 0.089 0.000 2.131 171 L HA -0.009 4.331 4.340 -0.000 0.000 0.210 171 L C 2.256 179.166 176.870 0.066 0.000 1.092 171 L CA 1.318 56.244 54.840 0.143 0.000 0.759 171 L CB -1.281 40.927 42.059 0.250 0.000 0.903 171 L HN 0.364 nan 8.230 nan 0.000 0.435 172 N N -0.226 118.494 118.700 0.034 0.000 2.216 172 N HA -0.175 4.564 4.740 -0.000 0.000 0.183 172 N C 1.582 177.062 175.510 -0.049 0.000 1.017 172 N CA 1.044 54.092 53.050 -0.004 0.000 0.861 172 N CB 0.292 38.778 38.487 -0.002 0.000 0.986 172 N HN 0.489 nan 8.380 nan 0.000 0.428 173 E N 0.420 120.584 120.200 -0.059 0.000 2.072 173 E HA -0.116 4.234 4.350 -0.000 0.000 0.191 173 E C 1.922 178.400 176.600 -0.203 0.000 0.985 173 E CA 0.779 57.116 56.400 -0.105 0.000 0.801 173 E CB 0.146 29.794 29.700 -0.086 0.000 0.750 173 E HN 0.176 nan 8.360 nan 0.000 0.452 174 K N 0.575 120.852 120.400 -0.205 0.000 2.057 174 K HA -0.092 4.228 4.320 -0.000 0.000 0.207 174 K C 2.324 178.665 176.600 -0.431 0.000 1.049 174 K CA 0.798 56.842 56.287 -0.404 0.000 0.931 174 K CB -0.618 31.819 32.500 -0.106 0.000 0.714 174 K HN -0.010 nan 8.250 nan 0.000 0.440 175 S N 0.917 116.511 115.700 -0.177 0.000 2.359 175 S HA -0.149 4.321 4.470 -0.000 0.000 0.224 175 S C 2.002 176.524 174.600 -0.129 0.000 1.035 175 S CA 1.218 59.350 58.200 -0.113 0.000 1.018 175 S CB 0.045 63.205 63.200 -0.067 0.000 0.876 175 S HN 0.283 nan 8.310 nan 0.000 0.448 176 R N 0.549 120.962 120.500 -0.146 0.000 2.092 176 R HA 0.048 4.388 4.340 -0.000 0.000 0.231 176 R C 2.628 178.837 176.300 -0.150 0.000 1.119 176 R CA 1.206 57.236 56.100 -0.117 0.000 0.970 176 R CB -0.543 29.699 30.300 -0.096 0.000 0.864 176 R HN 0.485 nan 8.270 nan 0.000 0.440 177 A N 0.707 123.346 122.820 -0.302 0.000 1.969 177 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 177 A C 1.084 178.571 177.584 -0.162 0.000 1.169 177 A CA 1.104 52.933 52.037 -0.346 0.000 0.635 177 A CB -0.179 18.444 19.000 -0.627 0.000 0.810 177 A HN 0.211 nan 8.150 nan 0.000 0.445 178 F N -0.724 119.215 119.950 -0.018 0.000 2.668 178 F HA 0.477 5.004 4.527 -0.000 0.000 0.297 178 F C 1.998 177.780 175.800 -0.031 0.000 1.124 178 F CA -0.813 57.173 58.000 -0.023 0.000 1.353 178 F CB -0.964 38.017 39.000 -0.030 0.000 0.992 178 F HN 0.214 nan 8.300 nan 0.000 0.524 179 A N 0.582 123.456 122.820 0.090 0.000 2.024 179 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 179 A C 1.993 179.605 177.584 0.046 0.000 1.164 179 A CA 2.105 54.167 52.037 0.043 0.000 0.643 179 A CB -0.558 18.447 19.000 0.007 0.000 0.806 179 A HN 0.419 nan 8.150 nan 0.000 0.451 180 D N -0.745 119.692 120.400 0.062 0.000 2.349 180 D HA 0.089 4.729 4.640 -0.000 0.000 0.214 180 D C 0.293 176.620 176.300 0.045 0.000 1.063 180 D CA -0.140 53.888 54.000 0.046 0.000 0.847 180 D CB -0.311 40.514 40.800 0.043 0.000 0.933 180 D HN 0.455 nan 8.370 nan 0.000 0.513 181 I N 1.909 122.514 120.570 0.057 0.000 2.291 181 I HA 0.102 4.271 4.170 -0.000 0.000 0.292 181 I C -0.066 176.057 176.117 0.010 0.000 1.064 181 I CA -0.779 60.536 61.300 0.026 0.000 1.269 181 I CB 1.620 39.621 38.000 0.002 0.000 1.418 181 I HN -0.285 nan 8.210 nan 0.000 0.485 182 V N 7.711 127.630 119.914 0.007 0.000 2.488 182 V HA 0.236 4.356 4.120 -0.000 0.000 0.277 182 V C 0.289 176.383 176.094 -0.000 0.000 1.046 182 V CA -0.271 62.032 62.300 0.005 0.000 0.986 182 V CB 0.741 32.570 31.823 0.010 0.000 0.989 182 V HN 0.791 nan 8.190 nan 0.000 0.475 183 K N 3.942 124.341 120.400 -0.002 0.000 2.433 183 K HA 0.778 5.098 4.320 -0.000 0.000 0.252 183 K C -0.987 175.616 176.600 0.006 0.000 1.015 183 K CA -1.125 55.161 56.287 -0.001 0.000 0.860 183 K CB 1.967 34.461 32.500 -0.010 0.000 1.359 183 K HN 0.328 nan 8.250 nan 0.000 0.452 184 I N 1.453 122.030 120.570 0.013 0.000 2.529 184 I HA 0.258 4.428 4.170 -0.000 0.000 0.284 184 I C 0.293 176.419 176.117 0.015 0.000 1.082 184 I CA 0.532 61.843 61.300 0.017 0.000 1.406 184 I CB 1.049 39.063 38.000 0.023 0.000 1.405 184 I HN 0.777 nan 8.210 nan 0.000 0.548 185 G N 6.601 115.410 108.800 0.015 0.000 2.537 185 G HA2 0.577 4.537 3.960 -0.000 0.000 0.273 185 G HA3 0.577 4.537 3.960 -0.000 0.000 0.273 185 G C -0.736 174.176 174.900 0.019 0.000 1.189 185 G CA -0.667 44.442 45.100 0.015 0.000 0.881 185 G HN 0.635 nan 8.290 nan 0.000 0.535 186 R N -0.195 120.317 120.500 0.020 0.000 2.515 186 R HA 0.454 4.794 4.340 -0.000 0.000 0.291 186 R C -0.988 175.325 176.300 0.021 0.000 1.046 186 R CA -0.589 55.522 56.100 0.019 0.000 0.914 186 R CB 2.127 32.430 30.300 0.005 0.000 1.191 186 R HN 0.733 nan 8.270 nan 0.000 0.435 187 T N -1.019 113.568 114.554 0.054 0.000 2.848 187 T HA 0.313 4.663 4.350 -0.000 0.000 0.285 187 T C 0.338 175.152 174.700 0.189 0.000 0.995 187 T CA -0.759 61.388 62.100 0.079 0.000 0.970 187 T CB 1.017 69.979 68.868 0.157 0.000 0.976 187 T HN 0.851 nan 8.240 nan 0.000 0.441 188 H N 1.461 120.509 119.070 -0.037 0.000 2.958 188 H HA -0.156 4.400 4.556 -0.000 0.000 0.274 188 H C 0.427 175.717 175.328 -0.064 0.000 1.184 188 H CA 0.492 56.513 56.048 -0.045 0.000 1.143 188 H CB -1.046 28.696 29.762 -0.033 0.000 1.297 188 H HN 0.678 nan 8.280 nan 0.000 0.356 189 L N -2.490 118.741 121.223 0.013 0.000 5.060 189 L HA -0.246 4.094 4.340 -0.000 0.000 0.408 189 L C 0.820 177.676 176.870 -0.023 0.000 0.917 189 L CA 1.617 56.425 54.840 -0.054 0.000 1.627 189 L CB -0.975 41.022 42.059 -0.103 0.000 1.732 189 L HN 0.377 nan 8.230 nan 0.000 0.611 190 Q N 0.606 120.418 119.800 0.021 0.000 2.221 190 Q HA 0.334 4.674 4.340 -0.000 0.000 0.242 190 Q C -0.037 175.972 176.000 0.015 0.000 0.940 190 Q CA -0.579 55.230 55.803 0.011 0.000 0.896 190 Q CB 0.762 29.501 28.738 0.001 0.000 1.226 190 Q HN 0.142 nan 8.270 nan 0.000 0.463 191 D N 0.575 120.981 120.400 0.009 0.000 2.443 191 D HA 0.364 5.004 4.640 -0.000 0.000 0.239 191 D C -0.400 175.909 176.300 0.015 0.000 1.136 191 D CA 0.340 54.348 54.000 0.014 0.000 0.879 191 D CB 0.764 41.574 40.800 0.016 0.000 1.195 191 D HN 0.561 nan 8.370 nan 0.000 0.443 192 A N 1.142 123.974 122.820 0.020 0.000 2.533 192 A HA 0.606 4.926 4.320 -0.000 0.000 0.293 192 A C -0.104 177.491 177.584 0.019 0.000 1.228 192 A CA -0.725 51.325 52.037 0.021 0.000 0.689 192 A CB 1.085 20.105 19.000 0.033 0.000 1.303 192 A HN 0.399 nan 8.150 nan 0.000 0.444 193 T N 1.332 115.896 114.554 0.018 0.000 2.937 193 T HA 0.419 4.769 4.350 -0.000 0.000 0.316 193 T C -2.247 172.461 174.700 0.013 0.000 1.079 193 T CA -0.510 61.599 62.100 0.015 0.000 1.131 193 T CB -0.173 68.703 68.868 0.013 0.000 1.000 193 T HN 0.348 nan 8.240 nan 0.000 0.549 194 P HA 0.442 nan 4.420 nan 0.000 0.272 194 P C -0.911 176.391 177.300 0.003 0.000 1.230 194 P CA -0.334 62.772 63.100 0.009 0.000 0.788 194 P CB 0.330 32.036 31.700 0.010 0.000 0.949 195 L N -2.748 118.475 121.223 -0.001 0.000 2.710 195 L HA 0.685 5.025 4.340 -0.000 0.000 0.260 195 L C -0.594 176.269 176.870 -0.011 0.000 0.993 195 L CA -1.037 53.798 54.840 -0.008 0.000 0.877 195 L CB 1.748 43.797 42.059 -0.015 0.000 1.461 195 L HN 0.356 nan 8.230 nan 0.000 0.413 196 T N -1.029 113.518 114.554 -0.013 0.000 2.882 196 T HA 0.304 4.654 4.350 -0.000 0.000 0.287 196 T C 0.849 175.535 174.700 -0.024 0.000 1.014 196 T CA -0.436 61.660 62.100 -0.008 0.000 1.049 196 T CB 1.530 70.401 68.868 0.006 0.000 1.001 196 T HN 0.699 nan 8.240 nan 0.000 0.525 197 L N 2.482 123.698 121.223 -0.012 0.000 2.083 197 L HA 0.180 4.520 4.340 -0.000 0.000 0.209 197 L C 2.518 179.373 176.870 -0.024 0.000 1.083 197 L CA 2.325 57.147 54.840 -0.030 0.000 0.752 197 L CB -1.336 40.708 42.059 -0.025 0.000 0.899 197 L HN 0.999 nan 8.230 nan 0.000 0.433 198 G N -1.520 107.302 108.800 0.037 0.000 2.422 198 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.218 198 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.218 198 G C 1.456 176.315 174.900 -0.068 0.000 1.146 198 G CA 0.764 45.868 45.100 0.006 0.000 0.769 198 G HN 0.528 nan 8.290 nan 0.000 0.547 199 Q N -0.316 119.444 119.800 -0.065 0.000 2.079 199 Q HA -0.040 4.300 4.340 -0.000 0.000 0.200 199 Q C 2.402 178.316 176.000 -0.143 0.000 0.974 199 Q CA 1.200 56.956 55.803 -0.078 0.000 0.840 199 Q CB -0.141 28.568 28.738 -0.049 0.000 0.898 199 Q HN 0.654 nan 8.270 nan 0.000 0.430 200 E N 0.880 120.965 120.200 -0.192 0.000 2.085 200 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 200 E C 1.853 178.063 176.600 -0.650 0.000 0.994 200 E CA 1.003 57.212 56.400 -0.318 0.000 0.801 200 E CB -0.020 29.511 29.700 -0.283 0.000 0.743 200 E HN 0.337 nan 8.360 nan 0.000 0.453 201 I N 0.946 121.119 120.570 -0.661 0.000 2.394 201 I HA -0.223 3.947 4.170 -0.000 0.000 0.251 201 I C 2.589 178.518 176.117 -0.313 0.000 1.136 201 I CA 1.053 61.884 61.300 -0.781 0.000 1.425 201 I CB -0.324 37.433 38.000 -0.405 0.000 1.079 201 I HN 0.187 nan 8.210 nan 0.000 0.425 202 S N 0.979 116.570 115.700 -0.183 0.000 2.419 202 S HA -0.109 4.361 4.470 -0.000 0.000 0.233 202 S C 2.115 176.710 174.600 -0.007 0.000 1.016 202 S CA 1.088 59.253 58.200 -0.057 0.000 0.974 202 S CB -1.000 62.174 63.200 -0.043 0.000 0.786 202 S HN 0.483 nan 8.310 nan 0.000 0.492 203 G N 0.500 109.265 108.800 -0.059 0.000 2.408 203 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.217 203 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.217 203 G C 1.123 176.150 174.900 0.211 0.000 1.150 203 G CA 0.712 45.841 45.100 0.048 0.000 0.776 203 G HN 0.564 nan 8.290 nan 0.000 0.542 204 W N 0.691 122.025 121.300 0.056 0.000 2.381 204 W HA 0.038 4.698 4.660 -0.000 0.000 0.301 204 W C 2.530 179.083 176.519 0.057 0.000 1.205 204 W CA 0.254 57.634 57.345 0.058 0.000 1.285 204 W CB -1.291 28.214 29.460 0.074 0.000 1.133 204 W HN 0.050 nan 8.180 nan 0.000 0.521 205 V N 1.093 121.169 119.914 0.270 0.000 2.295 205 V HA -0.281 3.839 4.120 -0.000 0.000 0.246 205 V C 2.552 178.726 176.094 0.133 0.000 1.049 205 V CA 2.430 64.828 62.300 0.163 0.000 1.024 205 V CB -1.622 30.258 31.823 0.095 0.000 0.648 205 V HN 0.134 nan 8.190 nan 0.000 0.447 206 A N -0.733 122.173 122.820 0.142 0.000 1.933 206 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 206 A C 2.229 179.982 177.584 0.282 0.000 1.175 206 A CA 2.192 54.336 52.037 0.179 0.000 0.628 206 A CB -0.492 18.626 19.000 0.196 0.000 0.814 206 A HN 0.510 nan 8.150 nan 0.000 0.444 207 M N -0.552 119.185 119.600 0.227 0.000 2.086 207 M HA -0.122 4.358 4.480 -0.000 0.000 0.261 207 M C 2.067 178.465 176.300 0.164 0.000 1.067 207 M CA 1.524 56.939 55.300 0.191 0.000 1.116 207 M CB -0.501 32.185 32.600 0.143 0.000 1.348 207 M HN 0.369 nan 8.290 nan 0.000 0.407 208 L N -0.499 120.799 121.223 0.125 0.000 2.083 208 L HA -0.194 4.146 4.340 -0.000 0.000 0.209 208 L C 2.254 179.156 176.870 0.053 0.000 1.083 208 L CA 1.310 56.196 54.840 0.076 0.000 0.752 208 L CB -0.799 41.300 42.059 0.066 0.000 0.899 208 L HN 0.372 nan 8.230 nan 0.000 0.433 209 E N -0.618 119.607 120.200 0.041 0.000 2.110 209 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 209 E C 2.054 178.602 176.600 -0.086 0.000 0.988 209 E CA 1.220 57.593 56.400 -0.045 0.000 0.804 209 E CB -0.114 29.532 29.700 -0.091 0.000 0.745 209 E HN 0.577 nan 8.360 nan 0.000 0.458 210 H N 0.273 119.351 119.070 0.012 0.000 2.389 210 H HA 0.004 4.560 4.556 -0.000 0.000 0.299 210 H C 1.986 177.364 175.328 0.082 0.000 1.081 210 H CA 1.127 57.189 56.048 0.024 0.000 1.345 210 H CB 0.165 29.985 29.762 0.096 0.000 1.393 210 H HN 0.071 nan 8.280 nan 0.000 0.520 211 N N 0.355 119.183 118.700 0.214 0.000 2.166 211 N HA -0.130 4.610 4.740 -0.000 0.000 0.186 211 N C 1.926 177.470 175.510 0.056 0.000 1.019 211 N CA 0.692 53.840 53.050 0.163 0.000 0.856 211 N CB -0.171 38.359 38.487 0.070 0.000 0.993 211 N HN 0.229 nan 8.380 nan 0.000 0.426 212 L N 1.962 123.175 121.223 -0.017 0.000 2.046 212 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 212 L C 1.947 178.709 176.870 -0.179 0.000 1.077 212 L CA 1.807 56.599 54.840 -0.080 0.000 0.747 212 L CB -0.485 41.525 42.059 -0.082 0.000 0.896 212 L HN -0.148 nan 8.230 nan 0.000 0.432 213 K N -0.953 119.281 120.400 -0.278 0.000 2.026 213 K HA -0.139 4.181 4.320 -0.000 0.000 0.208 213 K C 2.221 178.328 176.600 -0.822 0.000 1.048 213 K CA 1.556 57.486 56.287 -0.595 0.000 0.929 213 K CB -0.546 31.595 32.500 -0.598 0.000 0.713 213 K HN 0.460 nan 8.250 nan 0.000 0.439 214 H N -0.043 118.830 119.070 -0.329 0.000 2.352 214 H HA -0.072 4.484 4.556 -0.000 0.000 0.299 214 H C 2.164 177.439 175.328 -0.090 0.000 1.097 214 H CA 1.689 57.663 56.048 -0.124 0.000 1.311 214 H CB -0.216 29.550 29.762 0.007 0.000 1.377 214 H HN 0.157 nan 8.280 nan 0.000 0.504 215 I N 0.809 121.386 120.570 0.012 0.000 2.315 215 I HA -0.205 3.965 4.170 -0.000 0.000 0.248 215 I C 2.301 178.401 176.117 -0.028 0.000 1.117 215 I CA 1.086 62.387 61.300 0.002 0.000 1.404 215 I CB -0.186 37.802 38.000 -0.021 0.000 1.071 215 I HN 0.238 nan 8.210 nan 0.000 0.419 216 E N 0.055 120.175 120.200 -0.133 0.000 2.106 216 E HA -0.214 4.136 4.350 -0.000 0.000 0.192 216 E C 2.057 178.662 176.600 0.008 0.000 0.984 216 E CA 1.184 57.515 56.400 -0.115 0.000 0.806 216 E CB -0.086 29.489 29.700 -0.208 0.000 0.750 216 E HN 0.459 nan 8.360 nan 0.000 0.458 217 Y N 0.617 120.926 120.300 0.015 0.000 2.403 217 Y HA -0.133 4.417 4.550 -0.000 0.000 0.291 217 Y C 2.641 178.569 175.900 0.047 0.000 1.143 217 Y CA 1.054 59.170 58.100 0.026 0.000 1.257 217 Y CB -0.698 37.783 38.460 0.035 0.000 0.984 217 Y HN 0.066 nan 8.280 nan 0.000 0.550 218 S N -0.975 114.842 115.700 0.195 0.000 2.501 218 S HA -0.005 4.465 4.470 -0.000 0.000 0.220 218 S C 1.804 176.459 174.600 0.093 0.000 0.997 218 S CA 0.150 58.436 58.200 0.143 0.000 0.919 218 S CB -0.703 62.571 63.200 0.123 0.000 0.778 218 S HN 0.416 nan 8.310 nan 0.000 0.523 219 L N 1.749 123.013 121.223 0.067 0.000 2.046 219 L HA 0.005 4.345 4.340 -0.000 0.000 0.208 219 L C -0.331 176.551 176.870 0.020 0.000 1.077 219 L CA 1.288 56.139 54.840 0.019 0.000 0.747 219 L CB -2.011 40.041 42.059 -0.010 0.000 0.896 219 L HN 0.295 nan 8.230 nan 0.000 0.432 220 P HA -0.217 nan 4.420 nan 0.000 0.218 220 P C 1.231 178.599 177.300 0.113 0.000 1.148 220 P CA 1.672 64.805 63.100 0.055 0.000 0.822 220 P CB -0.183 31.547 31.700 0.049 0.000 0.784 221 H N 0.428 119.503 119.070 0.009 0.000 2.395 221 H HA 0.006 4.562 4.556 -0.000 0.000 0.299 221 H C 1.677 176.998 175.328 -0.012 0.000 1.070 221 H CA 0.827 56.885 56.048 0.017 0.000 1.356 221 H CB -0.738 29.036 29.762 0.020 0.000 1.401 221 H HN -0.157 nan 8.280 nan 0.000 0.524 222 V N 0.688 120.581 119.914 -0.035 0.000 2.809 222 V HA -0.079 4.041 4.120 -0.000 0.000 0.256 222 V C 2.614 178.696 176.094 -0.019 0.000 1.080 222 V CA 1.156 63.267 62.300 -0.316 0.000 1.102 222 V CB -0.993 30.621 31.823 -0.348 0.000 0.705 222 V HN 0.529 nan 8.190 nan 0.000 0.475 223 A N -0.461 122.404 122.820 0.075 0.000 2.168 223 A HA -0.038 4.282 4.320 -0.000 0.000 0.215 223 A C 1.005 178.766 177.584 0.295 0.000 1.152 223 A CA 0.317 52.434 52.037 0.133 0.000 0.716 223 A CB -0.324 18.652 19.000 -0.040 0.000 0.794 223 A HN 0.617 nan 8.150 nan 0.000 0.465 224 E N 0.303 120.680 120.200 0.295 0.000 2.259 224 E HA 0.419 4.769 4.350 -0.000 0.000 0.281 224 E C -1.032 175.721 176.600 0.254 0.000 1.037 224 E CA -0.180 56.376 56.400 0.260 0.000 0.854 224 E CB 0.828 30.681 29.700 0.255 0.000 1.051 224 E HN 0.387 nan 8.360 nan 0.000 0.409 225 L N 1.921 123.219 121.223 0.124 0.000 2.317 225 L HA 0.357 4.697 4.340 -0.000 0.000 0.281 225 L C 1.010 177.846 176.870 -0.057 0.000 1.024 225 L CA -0.544 54.292 54.840 -0.007 0.000 0.810 225 L CB 1.490 43.521 42.059 -0.047 0.000 1.240 225 L HN 0.640 nan 8.230 nan 0.000 0.427 226 A N 3.098 125.844 122.820 -0.123 0.000 2.119 226 A HA 0.047 4.367 4.320 -0.000 0.000 0.216 226 A C 0.803 178.347 177.584 -0.067 0.000 1.152 226 A CA 0.086 52.063 52.037 -0.100 0.000 0.708 226 A CB -0.123 18.801 19.000 -0.128 0.000 0.805 226 A HN 0.532 nan 8.150 nan 0.000 0.460 227 L N 0.658 121.841 121.223 -0.067 0.000 2.660 227 L HA 0.341 4.681 4.340 -0.000 0.000 0.272 227 L C 1.249 178.138 176.870 0.033 0.000 1.194 227 L CA 1.642 56.471 54.840 -0.019 0.000 0.945 227 L CB -0.040 41.976 42.059 -0.072 0.000 1.212 227 L HN 0.568 nan 8.230 nan 0.000 0.490 228 G N 2.535 111.421 108.800 0.143 0.000 2.421 228 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.188 228 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.188 228 G C 0.851 175.792 174.900 0.068 0.000 1.001 228 G CA 0.017 45.244 45.100 0.211 0.000 0.693 228 G HN 1.020 nan 8.290 nan 0.000 0.479 229 G N 0.703 109.495 108.800 -0.012 0.000 2.712 229 G HA2 0.429 4.389 3.960 -0.000 0.000 0.212 229 G HA3 0.429 4.389 3.960 -0.000 0.000 0.212 229 G C 1.375 176.231 174.900 -0.073 0.000 1.142 229 G CA 2.459 47.501 45.100 -0.098 0.000 0.789 229 G HN 2.062 nan 8.290 nan 0.000 0.535 230 T N -1.471 113.067 114.554 -0.026 0.000 10.310 230 T HA -0.385 3.965 4.350 -0.000 0.000 0.612 230 T C 1.924 176.613 174.700 -0.019 0.000 1.249 230 T CA 1.997 64.085 62.100 -0.020 0.000 3.258 230 T CB -1.390 67.461 68.868 -0.028 0.000 2.548 230 T HN 1.320 nan 8.240 nan 0.000 0.326 231 A N 1.057 123.872 122.820 -0.009 0.000 1.859 231 A HA 0.135 4.455 4.320 -0.000 0.000 0.217 231 A C 2.755 180.349 177.584 0.017 0.000 1.198 231 A CA 4.141 56.180 52.037 0.004 0.000 0.629 231 A CB -1.124 17.881 19.000 0.008 0.000 0.830 231 A HN 2.125 nan 8.150 nan 0.000 0.446 232 V N -5.402 114.527 119.914 0.025 0.000 3.477 232 V HA 0.625 4.745 4.120 -0.000 0.000 0.297 232 V C 1.186 177.296 176.094 0.026 0.000 1.433 232 V CA 0.734 63.075 62.300 0.069 0.000 1.052 232 V CB -0.441 31.454 31.823 0.121 0.000 0.895 232 V HN 1.672 nan 8.190 nan 0.000 0.438 233 G N 1.341 110.063 108.800 -0.131 0.000 2.213 233 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.226 233 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.226 233 G C 1.017 175.598 174.900 -0.532 0.000 0.992 233 G CA 0.981 45.788 45.100 -0.489 0.000 0.632 233 G HN 1.026 nan 8.290 nan 0.000 0.511 234 T N -1.311 113.181 114.554 -0.103 0.000 2.995 234 T HA 0.362 4.712 4.350 -0.000 0.000 0.269 234 T C 2.511 177.213 174.700 0.003 0.000 1.091 234 T CA 1.859 63.999 62.100 0.066 0.000 1.128 234 T CB -0.141 68.813 68.868 0.143 0.000 0.891 234 T HN 2.285 nan 8.240 nan 0.000 0.492 235 G N 1.168 109.948 108.800 -0.034 0.000 2.137 235 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.237 235 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.237 235 G C -0.083 174.812 174.900 -0.009 0.000 1.002 235 G CA 0.113 45.203 45.100 -0.017 0.000 0.702 235 G HN 0.758 nan 8.290 nan 0.000 0.515 236 L N -0.033 121.187 121.223 -0.004 0.000 2.485 236 L HA 0.375 4.715 4.340 -0.000 0.000 0.275 236 L C 1.186 178.040 176.870 -0.027 0.000 1.207 236 L CA 0.859 55.695 54.840 -0.006 0.000 0.855 236 L CB 0.369 42.431 42.059 0.005 0.000 1.114 236 L HN 0.527 nan 8.230 nan 0.000 0.485 237 N N 1.516 120.197 118.700 -0.032 0.000 2.816 237 N HA -0.172 4.568 4.740 -0.000 0.000 0.247 237 N C -1.025 174.434 175.510 -0.085 0.000 1.100 237 N CA 1.122 54.142 53.050 -0.049 0.000 0.687 237 N CB -0.882 37.578 38.487 -0.046 0.000 1.003 237 N HN 0.943 nan 8.380 nan 0.000 0.554 238 T N -3.540 110.969 114.554 -0.074 0.000 2.868 238 T HA 0.379 4.729 4.350 -0.000 0.000 0.306 238 T C -0.508 174.183 174.700 -0.015 0.000 1.224 238 T CA -0.866 61.169 62.100 -0.109 0.000 1.012 238 T CB 1.406 70.204 68.868 -0.117 0.000 1.221 238 T HN 0.320 nan 8.240 nan 0.000 0.499 239 H N 2.695 121.720 119.070 -0.074 0.000 2.646 239 H HA 0.365 4.921 4.556 -0.000 0.000 0.325 239 H C -1.259 174.108 175.328 0.065 0.000 1.075 239 H CA -1.646 54.408 56.048 0.010 0.000 1.421 239 H CB 1.352 31.136 29.762 0.036 0.000 1.461 239 H HN 0.358 nan 8.280 nan 0.000 0.525 240 P HA -0.215 nan 4.420 nan 0.000 0.219 240 P C 0.206 177.584 177.300 0.129 0.000 1.144 240 P CA 1.456 64.543 63.100 -0.023 0.000 0.806 240 P CB 0.365 31.988 31.700 -0.128 0.000 0.771 241 E N -2.415 117.989 120.200 0.340 0.000 2.472 241 E HA -0.058 4.292 4.350 -0.000 0.000 0.196 241 E C 1.756 178.493 176.600 0.230 0.000 1.033 241 E CA -0.259 56.305 56.400 0.274 0.000 0.886 241 E CB -0.373 29.498 29.700 0.285 0.000 0.944 241 E HN 0.214 nan 8.360 nan 0.000 0.492 242 Y N 2.091 122.484 120.300 0.156 0.000 2.053 242 Y HA -0.348 4.202 4.550 -0.000 0.000 0.277 242 Y C 2.348 178.266 175.900 0.030 0.000 1.159 242 Y CA 2.036 60.175 58.100 0.065 0.000 1.125 242 Y CB -0.421 38.082 38.460 0.072 0.000 0.969 242 Y HN 0.039 nan 8.280 nan 0.000 0.492 243 A N 0.608 123.468 122.820 0.066 0.000 1.892 243 A HA -0.270 4.050 4.320 -0.000 0.000 0.218 243 A C 2.429 179.957 177.584 -0.094 0.000 1.188 243 A CA 2.141 54.146 52.037 -0.053 0.000 0.631 243 A CB -0.936 18.089 19.000 0.041 0.000 0.822 243 A HN 0.605 nan 8.150 nan 0.000 0.447 244 R N -0.499 119.982 120.500 -0.033 0.000 2.066 244 R HA -0.098 4.242 4.340 -0.000 0.000 0.232 244 R C 2.366 178.632 176.300 -0.056 0.000 1.131 244 R CA 1.445 57.530 56.100 -0.025 0.000 0.955 244 R CB -0.263 30.043 30.300 0.010 0.000 0.851 244 R HN 0.535 nan 8.270 nan 0.000 0.432 245 R N -0.037 120.418 120.500 -0.074 0.000 2.075 245 R HA -0.077 4.263 4.340 -0.000 0.000 0.232 245 R C 2.337 178.547 176.300 -0.150 0.000 1.126 245 R CA 1.328 57.374 56.100 -0.089 0.000 0.963 245 R CB -0.484 29.775 30.300 -0.069 0.000 0.858 245 R HN 0.129 nan 8.270 nan 0.000 0.435 246 V N 0.894 120.640 119.914 -0.281 0.000 2.515 246 V HA -0.142 3.978 4.120 -0.000 0.000 0.250 246 V C 2.105 178.081 176.094 -0.197 0.000 1.058 246 V CA 1.872 63.985 62.300 -0.313 0.000 1.064 246 V CB -0.176 31.300 31.823 -0.579 0.000 0.675 246 V HN 0.402 nan 8.190 nan 0.000 0.461 247 A N -0.759 121.971 122.820 -0.150 0.000 1.930 247 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 247 A C 1.976 179.554 177.584 -0.010 0.000 1.175 247 A CA 1.731 53.726 52.037 -0.069 0.000 0.627 247 A CB -0.572 18.415 19.000 -0.023 0.000 0.815 247 A HN 0.584 nan 8.150 nan 0.000 0.443 248 D N -0.518 119.868 120.400 -0.023 0.000 2.097 248 D HA -0.133 4.507 4.640 -0.000 0.000 0.197 248 D C 1.939 178.239 176.300 0.000 0.000 0.984 248 D CA 1.616 55.618 54.000 0.002 0.000 0.826 248 D CB -0.249 40.546 40.800 -0.008 0.000 0.973 248 D HN 0.523 nan 8.370 nan 0.000 0.460 249 E N 0.882 121.062 120.200 -0.034 0.000 2.038 249 E HA -0.138 4.212 4.350 -0.000 0.000 0.195 249 E C 2.285 178.871 176.600 -0.023 0.000 1.000 249 E CA 0.892 57.272 56.400 -0.035 0.000 0.803 249 E CB -0.523 29.140 29.700 -0.063 0.000 0.750 249 E HN 0.230 nan 8.360 nan 0.000 0.448 250 L N -0.137 121.054 121.223 -0.052 0.000 2.012 250 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 250 L C 2.541 179.467 176.870 0.094 0.000 1.073 250 L CA 1.282 56.081 54.840 -0.069 0.000 0.748 250 L CB -0.621 41.284 42.059 -0.257 0.000 0.891 250 L HN 0.260 nan 8.230 nan 0.000 0.431 251 A N -0.534 122.395 122.820 0.182 0.000 1.908 251 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 251 A C 2.310 179.975 177.584 0.135 0.000 1.181 251 A CA 1.967 54.162 52.037 0.263 0.000 0.627 251 A CB -0.822 18.284 19.000 0.177 0.000 0.818 251 A HN 0.222 nan 8.150 nan 0.000 0.445 252 V N 0.998 120.957 119.914 0.075 0.000 2.270 252 V HA -0.253 3.867 4.120 -0.000 0.000 0.245 252 V C 2.487 178.607 176.094 0.043 0.000 1.043 252 V CA 1.955 64.282 62.300 0.044 0.000 1.014 252 V CB -0.842 30.994 31.823 0.022 0.000 0.645 252 V HN 0.775 nan 8.190 nan 0.000 0.447 253 I N -0.050 120.543 120.570 0.038 0.000 2.830 253 I HA -0.095 4.075 4.170 -0.000 0.000 0.263 253 I C 2.061 178.209 176.117 0.051 0.000 1.230 253 I CA 1.822 63.140 61.300 0.030 0.000 1.480 253 I CB -0.709 37.296 38.000 0.008 0.000 1.095 253 I HN 0.485 nan 8.210 nan 0.000 0.455 254 T N -3.908 110.704 114.554 0.097 0.000 2.990 254 T HA 0.159 4.509 4.350 -0.000 0.000 0.250 254 T C 1.112 175.873 174.700 0.101 0.000 1.041 254 T CA 0.586 62.765 62.100 0.132 0.000 1.010 254 T CB -0.371 68.665 68.868 0.281 0.000 1.003 254 T HN 0.462 nan 8.240 nan 0.000 0.499 255 C N 1.443 120.792 119.300 0.082 0.000 4.465 255 C HA 0.061 4.521 4.460 -0.000 0.000 0.274 255 C C 1.018 176.007 174.990 -0.003 0.000 1.337 255 C CA -0.196 58.843 59.018 0.035 0.000 1.822 255 C CB -2.640 25.111 27.740 0.020 0.000 1.357 255 C HN 1.052 nan 8.230 nan 0.000 0.753 256 A N 0.685 123.499 122.820 -0.010 0.000 2.325 256 A HA 0.758 5.078 4.320 -0.000 0.000 0.333 256 A C -1.501 175.915 177.584 -0.280 0.000 1.155 256 A CA -1.236 50.663 52.037 -0.230 0.000 0.814 256 A CB 0.830 19.541 19.000 -0.482 0.000 1.206 256 A HN 0.264 nan 8.150 nan 0.000 0.482 257 P HA 0.098 nan 4.420 nan 0.000 0.238 257 P C -0.801 176.388 177.300 -0.185 0.000 1.714 257 P CA 0.108 63.096 63.100 -0.186 0.000 0.908 257 P CB -0.749 30.869 31.700 -0.137 0.000 1.893 258 F N 1.286 121.239 119.950 0.005 0.000 2.518 258 F HA 0.154 4.681 4.527 -0.000 0.000 0.359 258 F C 1.404 177.207 175.800 0.004 0.000 1.118 258 F CA -0.010 57.995 58.000 0.008 0.000 1.287 258 F CB 0.577 39.576 39.000 -0.001 0.000 1.132 258 F HN -0.005 nan 8.300 nan 0.000 0.587 259 V N -0.565 119.476 119.914 0.212 0.000 3.007 259 V HA 0.598 4.718 4.120 -0.000 0.000 0.311 259 V C -0.303 175.851 176.094 0.100 0.000 1.120 259 V CA -0.882 61.487 62.300 0.115 0.000 0.980 259 V CB 1.379 33.247 31.823 0.075 0.000 1.033 259 V HN 0.715 nan 8.190 nan 0.000 0.429 260 T N 2.591 117.176 114.554 0.052 0.000 2.919 260 T HA 0.584 4.934 4.350 -0.000 0.000 0.302 260 T C 0.499 175.223 174.700 0.040 0.000 1.031 260 T CA 0.474 62.590 62.100 0.027 0.000 1.127 260 T CB 0.565 69.433 68.868 -0.000 0.000 0.952 260 T HN 1.808 nan 8.240 nan 0.000 0.540 261 A N 7.199 130.040 122.820 0.036 0.000 2.524 261 A HA 0.347 4.667 4.320 -0.000 0.000 0.250 261 A C -0.716 176.886 177.584 0.030 0.000 1.078 261 A CA -1.096 50.969 52.037 0.046 0.000 0.761 261 A CB 0.013 19.038 19.000 0.043 0.000 1.012 261 A HN 0.786 nan 8.150 nan 0.000 0.500 262 P HA -0.130 nan 4.420 nan 0.000 0.218 262 P C 0.198 177.527 177.300 0.048 0.000 1.148 262 P CA 1.315 64.436 63.100 0.035 0.000 0.822 262 P CB 0.035 31.751 31.700 0.027 0.000 0.784 263 N N -0.299 118.434 118.700 0.055 0.000 2.531 263 N HA 0.108 4.848 4.740 -0.000 0.000 0.268 263 N C 0.948 176.475 175.510 0.028 0.000 1.023 263 N CA -0.457 52.647 53.050 0.091 0.000 0.896 263 N CB 0.840 39.411 38.487 0.139 0.000 1.233 263 N HN -0.369 nan 8.380 nan 0.000 0.512 264 K N 2.168 122.499 120.400 -0.116 0.000 2.283 264 K HA -0.012 4.308 4.320 -0.000 0.000 0.202 264 K C 0.652 177.052 176.600 -0.333 0.000 1.048 264 K CA 1.007 57.132 56.287 -0.269 0.000 0.948 264 K CB -0.175 32.084 32.500 -0.401 0.000 0.742 264 K HN 0.562 nan 8.250 nan 0.000 0.458 265 F N 1.538 121.514 119.950 0.043 0.000 2.259 265 F HA -0.046 4.481 4.527 -0.000 0.000 0.298 265 F C 2.464 178.296 175.800 0.053 0.000 1.088 265 F CA 0.850 58.879 58.000 0.048 0.000 1.358 265 F CB -0.260 38.768 39.000 0.046 0.000 1.040 265 F HN 0.098 nan 8.300 nan 0.000 0.505 266 E N 1.081 121.398 120.200 0.196 0.000 2.107 266 E HA -0.124 4.226 4.350 -0.000 0.000 0.191 266 E C 2.238 178.905 176.600 0.111 0.000 0.982 266 E CA 1.020 57.511 56.400 0.150 0.000 0.809 266 E CB -0.106 29.680 29.700 0.143 0.000 0.756 266 E HN 0.306 nan 8.360 nan 0.000 0.459 267 A N 1.240 124.100 122.820 0.067 0.000 1.930 267 A HA -0.050 4.270 4.320 -0.000 0.000 0.217 267 A C 2.323 179.903 177.584 -0.007 0.000 1.175 267 A CA 0.842 52.892 52.037 0.022 0.000 0.627 267 A CB -0.366 18.621 19.000 -0.022 0.000 0.815 267 A HN 0.284 nan 8.150 nan 0.000 0.443 268 L N -1.466 119.756 121.223 -0.002 0.000 2.249 268 L HA 0.025 4.365 4.340 -0.000 0.000 0.207 268 L C 2.813 179.718 176.870 0.059 0.000 1.090 268 L CA 0.961 55.809 54.840 0.012 0.000 0.802 268 L CB -0.510 41.548 42.059 -0.002 0.000 0.947 268 L HN 0.414 nan 8.230 nan 0.000 0.453 269 A N -0.288 122.585 122.820 0.088 0.000 2.119 269 A HA 0.030 4.350 4.320 -0.000 0.000 0.216 269 A C 1.197 178.833 177.584 0.086 0.000 1.152 269 A CA 1.221 53.321 52.037 0.105 0.000 0.708 269 A CB -0.363 18.717 19.000 0.134 0.000 0.805 269 A HN 0.474 nan 8.150 nan 0.000 0.460 270 T N -6.199 108.402 114.554 0.078 0.000 2.804 270 T HA 0.406 4.755 4.350 -0.000 0.000 0.290 270 T C -0.389 174.347 174.700 0.060 0.000 1.099 270 T CA -0.181 61.960 62.100 0.068 0.000 1.011 270 T CB 1.436 70.347 68.868 0.072 0.000 1.291 270 T HN 0.111 nan 8.240 nan 0.000 0.523 271 C N 1.297 120.626 119.300 0.048 0.000 2.859 271 C HA 0.380 4.840 4.460 -0.000 0.000 0.256 271 C C 1.459 176.449 174.990 -0.000 0.000 1.660 271 C CA -0.545 58.495 59.018 0.036 0.000 1.755 271 C CB -1.513 26.251 27.740 0.040 0.000 3.127 271 C HN 0.916 nan 8.230 nan 0.000 0.494 272 D N 2.269 122.675 120.400 0.010 0.000 2.133 272 D HA -0.138 4.502 4.640 -0.000 0.000 0.195 272 D C 2.187 178.402 176.300 -0.143 0.000 0.997 272 D CA 1.849 55.848 54.000 -0.002 0.000 0.840 272 D CB -0.109 40.754 40.800 0.105 0.000 0.947 272 D HN 0.537 nan 8.370 nan 0.000 0.452 273 A N 0.384 122.958 122.820 -0.410 0.000 1.908 273 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 273 A C 2.345 179.715 177.584 -0.357 0.000 1.181 273 A CA 1.050 52.646 52.037 -0.734 0.000 0.627 273 A CB -0.682 17.798 19.000 -0.866 0.000 0.818 273 A HN 0.250 nan 8.150 nan 0.000 0.445 274 L N -0.808 120.250 121.223 -0.275 0.000 2.179 274 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 274 L C 2.425 179.312 176.870 0.028 0.000 1.096 274 L CA 0.513 55.200 54.840 -0.255 0.000 0.779 274 L CB -0.463 41.373 42.059 -0.371 0.000 0.922 274 L HN 0.221 nan 8.230 nan 0.000 0.443 275 V N -0.413 119.512 119.914 0.017 0.000 2.343 275 V HA -0.257 3.863 4.120 -0.000 0.000 0.247 275 V C 2.582 178.741 176.094 0.109 0.000 1.051 275 V CA 1.548 63.892 62.300 0.073 0.000 1.036 275 V CB -0.450 31.393 31.823 0.034 0.000 0.654 275 V HN 0.467 nan 8.190 nan 0.000 0.451 276 Q N -0.237 119.604 119.800 0.069 0.000 2.046 276 Q HA -0.093 4.247 4.340 -0.000 0.000 0.200 276 Q C 2.479 178.551 176.000 0.120 0.000 0.975 276 Q CA 1.821 57.678 55.803 0.089 0.000 0.836 276 Q CB -0.587 28.204 28.738 0.088 0.000 0.896 276 Q HN 0.635 nan 8.270 nan 0.000 0.428 277 A N 0.237 123.134 122.820 0.127 0.000 1.902 277 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 277 A C 1.852 179.596 177.584 0.267 0.000 1.181 277 A CA 1.939 54.094 52.037 0.198 0.000 0.623 277 A CB -0.835 18.290 19.000 0.208 0.000 0.818 277 A HN 0.446 nan 8.150 nan 0.000 0.443 278 H N -0.631 118.608 119.070 0.282 0.000 2.491 278 H HA 0.050 4.606 4.556 -0.000 0.000 0.290 278 H C 2.091 177.443 175.328 0.041 0.000 1.050 278 H CA 1.247 57.380 56.048 0.141 0.000 1.309 278 H CB -0.236 29.635 29.762 0.182 0.000 1.392 278 H HN 0.401 nan 8.280 nan 0.000 0.554 279 G N -0.296 108.583 108.800 0.132 0.000 2.422 279 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.218 279 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.218 279 G C 1.819 176.704 174.900 -0.026 0.000 1.146 279 G CA 0.616 45.749 45.100 0.054 0.000 0.769 279 G HN 0.529 nan 8.290 nan 0.000 0.547 280 A N 0.398 123.208 122.820 -0.016 0.000 1.968 280 A HA 0.215 4.535 4.320 -0.000 0.000 0.217 280 A C 2.392 179.906 177.584 -0.116 0.000 1.169 280 A CA 0.887 52.898 52.037 -0.044 0.000 0.638 280 A CB -0.264 18.755 19.000 0.031 0.000 0.812 280 A HN 0.347 nan 8.150 nan 0.000 0.446 281 L N -0.254 120.846 121.223 -0.205 0.000 2.056 281 L HA -0.197 4.143 4.340 -0.000 0.000 0.207 281 L C 2.534 179.222 176.870 -0.303 0.000 1.078 281 L CA 1.848 56.493 54.840 -0.326 0.000 0.749 281 L CB -0.501 41.197 42.059 -0.601 0.000 0.901 281 L HN 0.512 nan 8.230 nan 0.000 0.433 282 K N 0.580 120.807 120.400 -0.288 0.000 2.283 282 K HA -0.044 4.276 4.320 -0.000 0.000 0.202 282 K C 1.812 178.340 176.600 -0.120 0.000 1.048 282 K CA 1.346 57.534 56.287 -0.166 0.000 0.948 282 K CB -0.979 31.482 32.500 -0.065 0.000 0.742 282 K HN 0.138 nan 8.250 nan 0.000 0.458 283 G N 1.231 109.956 108.800 -0.126 0.000 2.394 283 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.215 283 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.215 283 G C 1.390 176.226 174.900 -0.107 0.000 1.165 283 G CA 0.605 45.635 45.100 -0.118 0.000 0.784 283 G HN 0.276 nan 8.290 nan 0.000 0.535 284 L N 1.519 122.675 121.223 -0.112 0.000 2.083 284 L HA 0.142 4.482 4.340 -0.000 0.000 0.209 284 L C 2.988 179.789 176.870 -0.115 0.000 1.083 284 L CA 2.106 56.886 54.840 -0.099 0.000 0.752 284 L CB -0.671 41.325 42.059 -0.104 0.000 0.899 284 L HN 0.226 nan 8.230 nan 0.000 0.433 285 A N -0.448 122.294 122.820 -0.129 0.000 1.902 285 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 285 A C 2.458 179.977 177.584 -0.108 0.000 1.181 285 A CA 1.812 53.775 52.037 -0.124 0.000 0.623 285 A CB -1.154 17.774 19.000 -0.119 0.000 0.818 285 A HN 0.581 nan 8.150 nan 0.000 0.443 286 A N -0.636 122.128 122.820 -0.093 0.000 1.930 286 A HA -0.038 4.282 4.320 -0.000 0.000 0.217 286 A C 2.434 179.970 177.584 -0.081 0.000 1.175 286 A CA 2.011 54.002 52.037 -0.077 0.000 0.627 286 A CB -0.743 18.218 19.000 -0.065 0.000 0.815 286 A HN 0.456 nan 8.150 nan 0.000 0.443 287 S N -0.037 115.613 115.700 -0.083 0.000 2.355 287 S HA -0.052 4.418 4.470 -0.000 0.000 0.222 287 S C 1.823 176.345 174.600 -0.130 0.000 1.031 287 S CA 1.335 59.488 58.200 -0.078 0.000 0.993 287 S CB -0.448 62.722 63.200 -0.050 0.000 0.859 287 S HN 0.508 nan 8.310 nan 0.000 0.453 288 L N 0.661 121.789 121.223 -0.159 0.000 2.083 288 L HA -0.122 4.218 4.340 -0.000 0.000 0.209 288 L C 2.552 179.264 176.870 -0.264 0.000 1.083 288 L CA 1.210 55.905 54.840 -0.241 0.000 0.752 288 L CB -0.464 41.454 42.059 -0.236 0.000 0.899 288 L HN 0.346 nan 8.230 nan 0.000 0.433 289 M N -0.164 119.327 119.600 -0.182 0.000 2.108 289 M HA -0.222 4.258 4.480 -0.000 0.000 0.261 289 M C 2.269 178.490 176.300 -0.131 0.000 1.066 289 M CA 1.779 56.992 55.300 -0.145 0.000 1.107 289 M CB -0.241 32.304 32.600 -0.092 0.000 1.356 289 M HN -0.067 nan 8.290 nan 0.000 0.406 290 K N 0.396 120.722 120.400 -0.123 0.000 2.062 290 K HA -0.061 4.259 4.320 -0.000 0.000 0.205 290 K C 1.856 178.350 176.600 -0.177 0.000 1.051 290 K CA 1.647 57.879 56.287 -0.092 0.000 0.941 290 K CB -0.446 32.022 32.500 -0.052 0.000 0.719 290 K HN 0.511 nan 8.250 nan 0.000 0.440 291 I N 0.961 121.327 120.570 -0.340 0.000 2.252 291 I HA -0.244 3.926 4.170 -0.000 0.000 0.245 291 I C 2.468 178.252 176.117 -0.554 0.000 1.102 291 I CA 1.155 62.046 61.300 -0.682 0.000 1.385 291 I CB -0.330 37.225 38.000 -0.741 0.000 1.064 291 I HN 0.100 nan 8.210 nan 0.000 0.414 292 A N 0.856 123.417 122.820 -0.432 0.000 1.933 292 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 292 A C 2.092 179.605 177.584 -0.118 0.000 1.175 292 A CA 1.750 53.592 52.037 -0.326 0.000 0.628 292 A CB -0.591 18.189 19.000 -0.367 0.000 0.814 292 A HN 0.393 nan 8.150 nan 0.000 0.444 293 N N 0.343 119.008 118.700 -0.060 0.000 2.142 293 N HA -0.122 4.618 4.740 -0.000 0.000 0.186 293 N C 1.183 176.836 175.510 0.240 0.000 1.023 293 N CA 1.496 54.612 53.050 0.110 0.000 0.852 293 N CB -0.456 38.139 38.487 0.179 0.000 0.998 293 N HN 0.400 nan 8.380 nan 0.000 0.424 294 D N 0.466 120.954 120.400 0.145 0.000 2.104 294 D HA -0.094 4.546 4.640 -0.000 0.000 0.194 294 D C 2.084 178.545 176.300 0.267 0.000 0.994 294 D CA 0.586 54.738 54.000 0.253 0.000 0.830 294 D CB -0.287 40.695 40.800 0.304 0.000 0.959 294 D HN -0.025 nan 8.370 nan 0.000 0.452 295 V N 1.547 121.530 119.914 0.116 0.000 2.295 295 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 295 V C 2.483 178.660 176.094 0.138 0.000 1.049 295 V CA 2.243 64.640 62.300 0.162 0.000 1.024 295 V CB -0.562 31.343 31.823 0.135 0.000 0.648 295 V HN 0.304 nan 8.190 nan 0.000 0.447 296 R N -1.095 119.444 120.500 0.066 0.000 2.115 296 R HA -0.168 4.172 4.340 -0.000 0.000 0.230 296 R C 2.073 178.330 176.300 -0.072 0.000 1.111 296 R CA 1.820 57.893 56.100 -0.045 0.000 0.976 296 R CB -0.725 29.480 30.300 -0.158 0.000 0.870 296 R HN 0.527 nan 8.270 nan 0.000 0.445 297 W N 0.603 121.936 121.300 0.055 0.000 2.418 297 W HA 0.036 4.696 4.660 -0.000 0.000 0.292 297 W C 1.787 178.344 176.519 0.064 0.000 1.213 297 W CA -0.174 57.203 57.345 0.054 0.000 1.283 297 W CB -0.087 29.405 29.460 0.053 0.000 1.119 297 W HN 0.020 nan 8.180 nan 0.000 0.542 298 L N 0.117 121.528 121.223 0.314 0.000 2.201 298 L HA -0.047 4.293 4.340 -0.000 0.000 0.212 298 L C 2.189 179.148 176.870 0.149 0.000 1.105 298 L CA 1.820 56.792 54.840 0.222 0.000 0.775 298 L CB -1.331 40.868 42.059 0.233 0.000 0.913 298 L HN 0.001 nan 8.230 nan 0.000 0.440 299 A N -1.736 121.156 122.820 0.120 0.000 2.308 299 A HA 0.162 4.482 4.320 -0.000 0.000 0.217 299 A C 1.126 178.732 177.584 0.038 0.000 1.216 299 A CA 0.312 52.389 52.037 0.066 0.000 0.864 299 A CB -0.528 18.502 19.000 0.050 0.000 0.902 299 A HN 0.394 nan 8.150 nan 0.000 0.499 300 S N -0.656 115.073 115.700 0.048 0.000 2.560 300 S HA 0.536 5.006 4.470 -0.000 0.000 0.284 300 S C 0.643 175.264 174.600 0.036 0.000 1.327 300 S CA 0.313 58.522 58.200 0.014 0.000 1.055 300 S CB 1.057 64.278 63.200 0.035 0.000 0.868 300 S HN 1.578 nan 8.310 nan 0.000 0.506 301 G N 1.996 110.803 108.800 0.012 0.000 2.553 301 G HA2 0.224 4.184 3.960 -0.000 0.000 0.106 301 G HA3 0.224 4.184 3.960 -0.000 0.000 0.106 301 G C -2.333 172.571 174.900 0.006 0.000 1.126 301 G CA -0.116 44.996 45.100 0.020 0.000 1.075 301 G HN 0.614 nan 8.290 nan 0.000 0.472 302 P HA 0.225 nan 4.420 nan 0.000 0.245 302 P C 0.828 178.137 177.300 0.016 0.000 1.212 302 P CA 0.530 63.636 63.100 0.011 0.000 0.774 302 P CB 0.450 32.153 31.700 0.006 0.000 0.999 303 R N -1.100 119.410 120.500 0.018 0.000 2.383 303 R HA 0.195 4.535 4.340 -0.000 0.000 0.205 303 R C 1.097 177.413 176.300 0.028 0.000 0.875 303 R CA 0.485 56.597 56.100 0.020 0.000 1.039 303 R CB -0.405 29.904 30.300 0.015 0.000 1.267 303 R HN 0.143 nan 8.270 nan 0.000 0.635 304 C N 1.089 120.408 119.300 0.032 0.000 2.563 304 C HA 0.549 5.009 4.460 -0.000 0.000 0.307 304 C C 1.189 176.217 174.990 0.064 0.000 1.371 304 C CA -0.684 58.359 59.018 0.042 0.000 1.772 304 C CB -0.402 27.360 27.740 0.036 0.000 2.283 304 C HN 0.451 nan 8.230 nan 0.000 0.570 305 G N 0.218 109.061 108.800 0.071 0.000 3.302 305 G HA2 0.549 4.509 3.960 -0.000 0.000 0.170 305 G HA3 0.549 4.509 3.960 -0.000 0.000 0.170 305 G C 0.529 175.496 174.900 0.111 0.000 1.119 305 G CA -0.200 44.967 45.100 0.112 0.000 0.826 305 G HN 0.134 nan 8.290 nan 0.000 0.646 306 I N 0.295 120.946 120.570 0.135 0.000 2.681 306 I HA 0.209 4.379 4.170 -0.000 0.000 0.247 306 I C 2.081 178.247 176.117 0.082 0.000 1.091 306 I CA 0.905 62.275 61.300 0.116 0.000 1.442 306 I CB -0.143 37.952 38.000 0.158 0.000 1.219 306 I HN 0.707 nan 8.210 nan 0.000 0.451 307 G N 1.890 110.738 108.800 0.080 0.000 2.283 307 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.280 307 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.280 307 G C 0.579 175.501 174.900 0.036 0.000 1.029 307 G CA 0.673 45.804 45.100 0.051 0.000 0.840 307 G HN 0.504 nan 8.290 nan 0.000 0.505 308 E N -0.875 119.352 120.200 0.045 0.000 2.216 308 E HA 0.141 4.491 4.350 -0.000 0.000 0.192 308 E C 1.637 178.231 176.600 -0.010 0.000 0.988 308 E CA 1.099 57.509 56.400 0.017 0.000 0.834 308 E CB 0.132 29.849 29.700 0.027 0.000 0.772 308 E HN 0.924 nan 8.360 nan 0.000 0.479 309 I N -2.620 117.960 120.570 0.015 0.000 3.145 309 I HA 0.473 4.643 4.170 -0.000 0.000 0.313 309 I C -0.629 175.496 176.117 0.014 0.000 1.122 309 I CA -1.194 60.104 61.300 -0.004 0.000 0.987 309 I CB 2.368 40.388 38.000 0.034 0.000 1.236 309 I HN -0.259 nan 8.210 nan 0.000 0.453 310 S N 3.685 119.388 115.700 0.005 0.000 2.526 310 S HA 0.816 5.286 4.470 -0.000 0.000 0.293 310 S C -0.521 174.091 174.600 0.020 0.000 1.092 310 S CA -0.728 57.479 58.200 0.011 0.000 0.980 310 S CB 1.745 64.945 63.200 0.001 0.000 1.048 310 S HN 0.818 nan 8.310 nan 0.000 0.483 311 I N -1.631 118.948 120.570 0.016 0.000 2.797 311 I HA 0.695 4.865 4.170 -0.000 0.000 0.307 311 I C -2.996 173.120 176.117 -0.001 0.000 1.033 311 I CA -3.095 58.210 61.300 0.008 0.000 1.071 311 I CB 1.024 39.025 38.000 0.001 0.000 1.255 311 I HN 0.305 nan 8.210 nan 0.000 0.445 312 P HA 0.038 nan 4.420 nan 0.000 0.265 312 P C -0.952 176.342 177.300 -0.010 0.000 1.193 312 P CA 0.126 63.224 63.100 -0.004 0.000 0.765 312 P CB 0.404 32.103 31.700 -0.001 0.000 0.823 313 E N 2.932 123.126 120.200 -0.010 0.000 2.089 313 E HA 0.086 4.436 4.350 -0.000 0.000 0.284 313 E C 0.198 176.783 176.600 -0.024 0.000 1.023 313 E CA -0.340 56.050 56.400 -0.016 0.000 0.819 313 E CB 0.206 29.898 29.700 -0.013 0.000 1.076 313 E HN 0.298 nan 8.360 nan 0.000 0.396 314 N N 3.889 122.566 118.700 -0.038 0.000 2.282 314 N HA 0.021 4.761 4.740 -0.000 0.000 0.185 314 N C -0.565 174.907 175.510 -0.063 0.000 1.099 314 N CA 0.396 53.409 53.050 -0.062 0.000 0.878 314 N CB 0.564 38.986 38.487 -0.108 0.000 0.993 314 N HN 0.575 nan 8.380 nan 0.000 0.481 315 E N 1.025 121.197 120.200 -0.047 0.000 2.392 315 E HA 0.442 4.792 4.350 -0.000 0.000 0.269 315 E C -2.387 174.196 176.600 -0.028 0.000 0.924 315 E CA -1.567 54.809 56.400 -0.040 0.000 0.784 315 E CB 1.065 30.740 29.700 -0.041 0.000 1.292 315 E HN -0.093 nan 8.360 nan 0.000 0.447 322 P HA -0.001 nan 4.420 nan 0.000 0.208 322 P C 1.454 178.751 177.300 -0.005 0.000 1.195 322 P CA 1.383 64.480 63.100 -0.004 0.000 0.927 322 P CB 0.154 31.853 31.700 -0.003 0.000 0.778 323 G N -0.626 108.172 108.800 -0.004 0.000 2.776 323 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.209 323 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.209 323 G C 0.630 175.526 174.900 -0.007 0.000 1.145 323 G CA -0.215 44.882 45.100 -0.004 0.000 0.791 323 G HN 0.276 nan 8.290 nan 0.000 0.530 324 K N 1.311 121.706 120.400 -0.009 0.000 2.062 324 K HA 0.218 4.538 4.320 -0.000 0.000 0.251 324 K C -0.629 175.961 176.600 -0.017 0.000 1.113 324 K CA -0.222 56.057 56.287 -0.014 0.000 1.096 324 K CB -0.026 32.466 32.500 -0.014 0.000 1.099 324 K HN -0.060 nan 8.250 nan 0.000 0.350 325 V N 5.367 125.270 119.914 -0.018 0.000 2.288 325 V HA 0.086 4.206 4.120 -0.000 0.000 0.266 325 V C -0.265 175.812 176.094 -0.028 0.000 1.048 325 V CA -1.062 61.226 62.300 -0.020 0.000 0.842 325 V CB 0.564 32.378 31.823 -0.014 0.000 1.064 325 V HN 0.686 nan 8.190 nan 0.000 0.472 326 N N 6.965 125.646 118.700 -0.031 0.000 2.483 326 N HA 0.163 4.903 4.740 -0.000 0.000 0.264 326 N C -1.910 173.579 175.510 -0.035 0.000 1.197 326 N CA -1.277 51.750 53.050 -0.040 0.000 0.927 326 N CB 1.132 39.596 38.487 -0.038 0.000 1.065 326 N HN 0.400 nan 8.380 nan 0.000 0.461 327 P HA 0.045 nan 4.420 nan 0.000 0.226 327 P C 0.750 178.045 177.300 -0.009 0.000 1.783 327 P CA -0.113 62.974 63.100 -0.022 0.000 0.980 327 P CB -0.519 31.156 31.700 -0.041 0.000 1.967 328 T N -1.953 112.597 114.554 -0.007 0.000 2.759 328 T HA -0.234 4.116 4.350 -0.000 0.000 0.269 328 T C 1.755 176.473 174.700 0.030 0.000 1.042 328 T CA 1.087 63.186 62.100 -0.001 0.000 1.140 328 T CB -0.537 68.324 68.868 -0.012 0.000 0.864 328 T HN 0.077 nan 8.240 nan 0.000 0.455 329 Q N 0.280 120.119 119.800 0.065 0.000 2.119 329 Q HA -0.000 4.340 4.340 -0.000 0.000 0.201 329 Q C 2.743 178.856 176.000 0.188 0.000 0.972 329 Q CA 1.252 57.142 55.803 0.143 0.000 0.847 329 Q CB -1.047 27.800 28.738 0.181 0.000 0.903 329 Q HN 0.667 nan 8.270 nan 0.000 0.433 330 C N 0.741 120.138 119.300 0.161 0.000 2.435 330 C HA -0.073 4.387 4.460 -0.000 0.000 0.279 330 C C 2.408 177.395 174.990 -0.005 0.000 1.321 330 C CA 0.400 59.474 59.018 0.093 0.000 1.752 330 C CB -0.618 27.165 27.740 0.071 0.000 1.959 330 C HN 0.543 nan 8.230 nan 0.000 0.500 331 E N 0.950 121.149 120.200 -0.003 0.000 2.158 331 E HA -0.060 4.290 4.350 -0.000 0.000 0.191 331 E C 2.325 178.914 176.600 -0.018 0.000 0.982 331 E CA 1.091 57.476 56.400 -0.024 0.000 0.823 331 E CB -0.159 29.525 29.700 -0.027 0.000 0.766 331 E HN 0.664 nan 8.360 nan 0.000 0.468 332 A N 1.063 123.883 122.820 0.001 0.000 1.897 332 A HA -0.117 4.203 4.320 -0.000 0.000 0.215 332 A C 2.105 179.677 177.584 -0.021 0.000 1.181 332 A CA 0.717 52.755 52.037 0.001 0.000 0.620 332 A CB -0.393 18.622 19.000 0.025 0.000 0.821 332 A HN 0.181 nan 8.150 nan 0.000 0.443 333 L N 0.632 121.834 121.223 -0.036 0.000 2.017 333 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 333 L C 2.848 179.648 176.870 -0.116 0.000 1.073 333 L CA 2.961 57.737 54.840 -0.106 0.000 0.745 333 L CB -1.049 40.873 42.059 -0.228 0.000 0.894 333 L HN 0.592 nan 8.230 nan 0.000 0.432 334 T N -3.602 110.891 114.554 -0.103 0.000 2.788 334 T HA -0.250 4.100 4.350 -0.000 0.000 0.268 334 T C 1.939 176.604 174.700 -0.057 0.000 1.044 334 T CA 1.723 63.772 62.100 -0.085 0.000 1.139 334 T CB -0.514 68.315 68.868 -0.065 0.000 0.867 334 T HN 0.312 nan 8.240 nan 0.000 0.454 335 M N 1.160 120.734 119.600 -0.044 0.000 2.117 335 M HA 0.056 4.536 4.480 -0.000 0.000 0.262 335 M C 2.297 178.579 176.300 -0.031 0.000 1.065 335 M CA 1.549 56.832 55.300 -0.029 0.000 1.114 335 M CB -0.632 31.957 32.600 -0.019 0.000 1.361 335 M HN 0.404 nan 8.290 nan 0.000 0.408 336 L N -2.499 118.700 121.223 -0.040 0.000 2.313 336 L HA 0.019 4.359 4.340 -0.000 0.000 0.214 336 L C 2.128 178.965 176.870 -0.055 0.000 1.119 336 L CA 1.202 56.017 54.840 -0.043 0.000 0.809 336 L CB -1.451 40.581 42.059 -0.046 0.000 0.933 336 L HN 0.158 nan 8.230 nan 0.000 0.449 337 C N -0.658 118.601 119.300 -0.068 0.000 2.450 337 C HA -0.063 4.397 4.460 -0.000 0.000 0.279 337 C C 2.920 177.881 174.990 -0.049 0.000 1.335 337 C CA 0.710 59.683 59.018 -0.075 0.000 1.749 337 C CB -1.235 26.449 27.740 -0.094 0.000 1.963 337 C HN 0.804 nan 8.230 nan 0.000 0.501 338 C N -0.483 118.795 119.300 -0.035 0.000 2.440 338 C HA -0.097 4.363 4.460 -0.000 0.000 0.278 338 C C 2.742 177.727 174.990 -0.007 0.000 1.295 338 C CA 1.074 60.081 59.018 -0.018 0.000 1.738 338 C CB -1.330 26.403 27.740 -0.012 0.000 1.987 338 C HN 0.629 nan 8.230 nan 0.000 0.492 339 Q N 1.159 120.954 119.800 -0.010 0.000 2.084 339 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 339 Q C 2.087 178.094 176.000 0.012 0.000 0.978 339 Q CA 1.889 57.693 55.803 0.001 0.000 0.844 339 Q CB -0.433 28.302 28.738 -0.006 0.000 0.898 339 Q HN 0.488 nan 8.270 nan 0.000 0.426 340 V N 0.148 120.061 119.914 -0.000 0.000 2.407 340 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 340 V C 2.227 178.373 176.094 0.087 0.000 1.055 340 V CA 1.814 64.132 62.300 0.029 0.000 1.049 340 V CB -0.519 31.264 31.823 -0.067 0.000 0.662 340 V HN 0.383 nan 8.190 nan 0.000 0.455 341 M N 0.890 120.509 119.600 0.032 0.000 2.117 341 M HA -0.051 4.429 4.480 -0.000 0.000 0.262 341 M C 2.063 178.390 176.300 0.047 0.000 1.065 341 M CA 2.066 57.386 55.300 0.034 0.000 1.114 341 M CB -1.113 31.491 32.600 0.006 0.000 1.361 341 M HN 0.339 nan 8.290 nan 0.000 0.408 342 G N -0.978 107.843 108.800 0.036 0.000 2.421 342 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.217 342 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.217 342 G C 1.414 176.333 174.900 0.032 0.000 1.143 342 G CA 0.700 45.819 45.100 0.031 0.000 0.784 342 G HN 0.404 nan 8.290 nan 0.000 0.541 343 N N 0.820 119.543 118.700 0.038 0.000 2.166 343 N HA -0.083 4.657 4.740 -0.000 0.000 0.186 343 N C 1.745 177.188 175.510 -0.112 0.000 1.019 343 N CA 1.317 54.360 53.050 -0.012 0.000 0.856 343 N CB -0.364 38.126 38.487 0.005 0.000 0.993 343 N HN 0.409 nan 8.380 nan 0.000 0.426 344 D N -0.132 120.264 120.400 -0.006 0.000 2.144 344 D HA -0.072 4.568 4.640 -0.000 0.000 0.199 344 D C 1.740 178.028 176.300 -0.021 0.000 0.984 344 D CA 0.625 54.618 54.000 -0.012 0.000 0.834 344 D CB 0.207 41.137 40.800 0.216 0.000 0.955 344 D HN -0.046 nan 8.370 nan 0.000 0.465 345 V N 0.597 120.512 119.914 0.002 0.000 2.358 345 V HA -0.191 3.929 4.120 -0.000 0.000 0.246 345 V C 2.528 178.617 176.094 -0.008 0.000 1.047 345 V CA 1.704 64.004 62.300 0.001 0.000 1.035 345 V CB -0.881 30.948 31.823 0.010 0.000 0.658 345 V HN 0.333 nan 8.190 nan 0.000 0.452 346 A N -0.091 122.730 122.820 0.002 0.000 1.902 346 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 346 A C 2.198 179.787 177.584 0.008 0.000 1.181 346 A CA 1.894 53.949 52.037 0.030 0.000 0.623 346 A CB -0.542 18.505 19.000 0.078 0.000 0.818 346 A HN 0.501 nan 8.150 nan 0.000 0.443 347 I N 0.009 120.556 120.570 -0.038 0.000 2.226 347 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 347 I C 2.068 178.160 176.117 -0.042 0.000 1.100 347 I CA 1.239 62.509 61.300 -0.050 0.000 1.374 347 I CB -0.487 37.422 38.000 -0.153 0.000 1.057 347 I HN 0.311 nan 8.210 nan 0.000 0.413 348 N N 0.739 119.414 118.700 -0.041 0.000 2.120 348 N HA -0.146 4.594 4.740 -0.000 0.000 0.188 348 N C 1.880 177.345 175.510 -0.074 0.000 1.024 348 N CA 1.408 54.436 53.050 -0.037 0.000 0.852 348 N CB -0.281 38.195 38.487 -0.018 0.000 1.003 348 N HN 0.330 nan 8.380 nan 0.000 0.424 349 M N -0.063 119.487 119.600 -0.084 0.000 2.086 349 M HA -0.060 4.420 4.480 -0.000 0.000 0.261 349 M C 2.191 178.311 176.300 -0.299 0.000 1.067 349 M CA 1.679 56.893 55.300 -0.144 0.000 1.116 349 M CB -0.623 31.919 32.600 -0.096 0.000 1.348 349 M HN 0.201 nan 8.290 nan 0.000 0.407 350 G N -0.422 108.221 108.800 -0.262 0.000 2.402 350 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.216 350 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.216 350 G C 1.480 176.202 174.900 -0.298 0.000 1.162 350 G CA 0.883 45.731 45.100 -0.420 0.000 0.777 350 G HN 0.567 nan 8.290 nan 0.000 0.539 351 G N 0.813 109.534 108.800 -0.131 0.000 2.448 351 G HA2 0.112 4.072 3.960 -0.000 0.000 0.219 351 G HA3 0.112 4.072 3.960 -0.000 0.000 0.219 351 G C 1.783 176.629 174.900 -0.090 0.000 1.127 351 G CA 1.279 46.338 45.100 -0.068 0.000 0.766 351 G HN 0.646 nan 8.290 nan 0.000 0.552 352 A N 0.072 122.810 122.820 -0.137 0.000 2.208 352 A HA 0.389 4.709 4.320 -0.000 0.000 0.209 352 A C 1.932 179.421 177.584 -0.159 0.000 1.161 352 A CA 1.021 52.986 52.037 -0.119 0.000 0.782 352 A CB 0.135 19.073 19.000 -0.103 0.000 0.816 352 A HN 0.178 nan 8.150 nan 0.000 0.477 353 S N 0.465 116.002 115.700 -0.272 0.000 2.573 353 S HA 0.330 4.800 4.470 -0.000 0.000 0.244 353 S C 0.909 175.474 174.600 -0.058 0.000 0.984 353 S CA 0.017 58.050 58.200 -0.278 0.000 1.001 353 S CB 0.124 62.887 63.200 -0.728 0.000 0.788 353 S HN 0.648 nan 8.310 nan 0.000 0.456 354 G N 1.621 110.409 108.800 -0.020 0.000 2.527 354 G HA2 0.397 4.357 3.960 -0.000 0.000 0.248 354 G HA3 0.397 4.357 3.960 -0.000 0.000 0.248 354 G C -0.495 174.393 174.900 -0.019 0.000 1.231 354 G CA -0.485 44.645 45.100 0.051 0.000 0.838 354 G HN 0.423 nan 8.290 nan 0.000 0.570 355 N N 0.473 119.164 118.700 -0.016 0.000 2.461 355 N HA 0.513 5.253 4.740 -0.000 0.000 0.284 355 N C -0.273 175.183 175.510 -0.090 0.000 1.049 355 N CA -0.614 52.305 53.050 -0.217 0.000 0.889 355 N CB 1.614 39.999 38.487 -0.170 0.000 1.365 355 N HN 0.437 nan 8.380 nan 0.000 0.499 356 F N 0.333 120.321 119.950 0.063 0.000 2.426 356 F HA -0.375 4.152 4.527 -0.000 0.000 0.283 356 F C 1.750 177.598 175.800 0.080 0.000 1.467 356 F CA 1.209 59.246 58.000 0.061 0.000 1.793 356 F CB -0.890 38.142 39.000 0.052 0.000 1.994 356 F HN 0.420 nan 8.300 nan 0.000 0.187 357 E N 0.346 120.748 120.200 0.336 0.000 2.435 357 E HA 0.294 4.644 4.350 -0.000 0.000 0.195 357 E C -0.111 176.591 176.600 0.169 0.000 1.029 357 E CA 0.622 57.160 56.400 0.230 0.000 0.865 357 E CB 0.068 29.886 29.700 0.197 0.000 0.833 357 E HN 0.304 nan 8.360 nan 0.000 0.510 358 L N 0.408 121.726 121.223 0.157 0.000 2.445 358 L HA 0.387 4.727 4.340 -0.000 0.000 0.262 358 L C -1.437 175.501 176.870 0.114 0.000 0.974 358 L CA -0.603 54.306 54.840 0.114 0.000 0.822 358 L CB 1.970 44.082 42.059 0.089 0.000 1.339 358 L HN -0.195 nan 8.230 nan 0.000 0.409 359 N N 3.213 121.979 118.700 0.110 0.000 2.414 359 N HA 0.247 4.987 4.740 -0.000 0.000 0.256 359 N C -0.398 175.199 175.510 0.145 0.000 1.029 359 N CA -0.190 52.950 53.050 0.150 0.000 0.948 359 N CB 1.513 40.083 38.487 0.138 0.000 1.102 359 N HN 0.505 nan 8.380 nan 0.000 0.496 360 V N 2.051 122.055 119.914 0.150 0.000 2.812 360 V HA 0.453 4.573 4.120 -0.000 0.000 0.344 360 V C -0.331 175.659 176.094 -0.173 0.000 1.244 360 V CA -0.296 61.992 62.300 -0.020 0.000 1.447 360 V CB -1.464 30.298 31.823 -0.102 0.000 1.534 360 V HN 0.429 nan 8.190 nan 0.000 0.590 361 F N -0.269 119.689 119.950 0.013 0.000 2.817 361 F HA 0.476 5.003 4.527 -0.000 0.000 0.319 361 F C 1.908 177.730 175.800 0.037 0.000 1.136 361 F CA -0.575 57.443 58.000 0.030 0.000 1.177 361 F CB 0.489 39.515 39.000 0.043 0.000 1.088 361 F HN 0.095 nan 8.300 nan 0.000 0.520 362 R N 0.729 121.324 120.500 0.157 0.000 2.083 362 R HA -0.138 4.202 4.340 -0.000 0.000 0.237 362 R C -0.699 175.735 176.300 0.222 0.000 1.137 362 R CA 1.859 58.075 56.100 0.194 0.000 0.951 362 R CB -1.636 28.815 30.300 0.251 0.000 0.851 362 R HN 0.189 nan 8.270 nan 0.000 0.434 363 P HA -0.215 nan 4.420 nan 0.000 0.215 363 P C 1.386 178.680 177.300 -0.010 0.000 1.157 363 P CA 1.183 64.303 63.100 0.034 0.000 0.868 363 P CB -0.087 31.474 31.700 -0.232 0.000 0.788 364 M N -0.355 119.232 119.600 -0.021 0.000 2.086 364 M HA -0.118 4.362 4.480 -0.000 0.000 0.261 364 M C 1.792 178.197 176.300 0.174 0.000 1.067 364 M CA 1.955 57.297 55.300 0.069 0.000 1.116 364 M CB -1.082 31.666 32.600 0.247 0.000 1.348 364 M HN -0.206 nan 8.290 nan 0.000 0.407 365 V N 0.832 120.845 119.914 0.165 0.000 2.287 365 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 365 V C 2.484 178.660 176.094 0.137 0.000 1.053 365 V CA 1.828 64.209 62.300 0.134 0.000 1.027 365 V CB -0.836 31.057 31.823 0.117 0.000 0.646 365 V HN 0.483 nan 8.190 nan 0.000 0.447 366 I N -0.495 120.156 120.570 0.135 0.000 2.439 366 I HA -0.175 3.995 4.170 -0.000 0.000 0.251 366 I C 2.312 178.516 176.117 0.144 0.000 1.139 366 I CA 1.698 63.069 61.300 0.118 0.000 1.438 366 I CB -0.542 37.480 38.000 0.036 0.000 1.085 366 I HN 0.524 nan 8.210 nan 0.000 0.427 367 H N 0.511 119.602 119.070 0.034 0.000 2.293 367 H HA -0.147 4.409 4.556 -0.000 0.000 0.300 367 H C 1.966 177.326 175.328 0.052 0.000 1.082 367 H CA 2.586 58.636 56.048 0.004 0.000 1.308 367 H CB -0.388 29.323 29.762 -0.086 0.000 1.375 367 H HN 0.377 nan 8.280 nan 0.000 0.495 368 N N -0.855 117.795 118.700 -0.083 0.000 2.188 368 N HA -0.095 4.645 4.740 -0.000 0.000 0.184 368 N C 1.538 177.014 175.510 -0.056 0.000 1.018 368 N CA 1.141 54.109 53.050 -0.137 0.000 0.858 368 N CB -0.318 38.141 38.487 -0.046 0.000 0.989 368 N HN 0.283 nan 8.380 nan 0.000 0.426 369 F N 1.241 121.147 119.950 -0.074 0.000 2.075 369 F HA -0.031 4.496 4.527 -0.000 0.000 0.297 369 F C 1.711 177.525 175.800 0.024 0.000 1.113 369 F CA 1.237 59.254 58.000 0.029 0.000 1.218 369 F CB -0.182 38.833 39.000 0.026 0.000 0.984 369 F HN -0.033 nan 8.300 nan 0.000 0.472 370 L N -0.150 121.182 121.223 0.182 0.000 2.201 370 L HA -0.209 4.131 4.340 -0.000 0.000 0.212 370 L C 2.505 179.342 176.870 -0.054 0.000 1.105 370 L CA 1.391 56.277 54.840 0.077 0.000 0.775 370 L CB -0.791 41.317 42.059 0.081 0.000 0.913 370 L HN 0.310 nan 8.230 nan 0.000 0.440 371 Q N -0.144 119.593 119.800 -0.105 0.000 2.079 371 Q HA -0.173 4.167 4.340 -0.000 0.000 0.200 371 Q C 2.276 178.209 176.000 -0.111 0.000 0.974 371 Q CA 1.826 57.554 55.803 -0.125 0.000 0.840 371 Q CB 0.138 28.754 28.738 -0.204 0.000 0.898 371 Q HN 0.423 nan 8.270 nan 0.000 0.430 372 S N -0.187 115.438 115.700 -0.125 0.000 2.383 372 S HA -0.108 4.362 4.470 -0.000 0.000 0.227 372 S C 1.951 176.425 174.600 -0.210 0.000 1.026 372 S CA 1.176 59.290 58.200 -0.144 0.000 0.981 372 S CB -0.133 63.015 63.200 -0.085 0.000 0.818 372 S HN 0.231 nan 8.310 nan 0.000 0.472 373 V N 2.063 121.823 119.914 -0.257 0.000 2.358 373 V HA -0.159 3.961 4.120 -0.000 0.000 0.246 373 V C 2.490 178.516 176.094 -0.113 0.000 1.047 373 V CA 1.584 63.762 62.300 -0.204 0.000 1.035 373 V CB -0.585 31.139 31.823 -0.165 0.000 0.658 373 V HN 0.379 nan 8.190 nan 0.000 0.452 374 R N -0.332 120.117 120.500 -0.086 0.000 2.070 374 R HA -0.116 4.224 4.340 -0.000 0.000 0.233 374 R C 2.345 178.612 176.300 -0.055 0.000 1.137 374 R CA 1.555 57.622 56.100 -0.055 0.000 0.945 374 R CB -0.567 29.707 30.300 -0.042 0.000 0.845 374 R HN 0.401 nan 8.270 nan 0.000 0.430 375 L N 0.750 121.933 121.223 -0.066 0.000 1.990 375 L HA -0.244 4.096 4.340 -0.000 0.000 0.213 375 L C 2.503 179.333 176.870 -0.067 0.000 1.072 375 L CA 1.457 56.262 54.840 -0.059 0.000 0.755 375 L CB -0.536 41.485 42.059 -0.064 0.000 0.889 375 L HN 0.214 nan 8.230 nan 0.000 0.432 376 L N -0.767 120.400 121.223 -0.093 0.000 2.056 376 L HA -0.178 4.162 4.340 -0.000 0.000 0.207 376 L C 2.861 179.689 176.870 -0.070 0.000 1.078 376 L CA 1.113 55.894 54.840 -0.098 0.000 0.749 376 L CB -0.752 41.228 42.059 -0.131 0.000 0.901 376 L HN 0.243 nan 8.230 nan 0.000 0.433 377 A N 0.138 122.921 122.820 -0.062 0.000 1.845 377 A HA -0.218 4.102 4.320 -0.000 0.000 0.215 377 A C 1.942 179.513 177.584 -0.023 0.000 1.195 377 A CA 1.999 54.011 52.037 -0.041 0.000 0.616 377 A CB -0.592 18.386 19.000 -0.037 0.000 0.832 377 A HN 0.343 nan 8.150 nan 0.000 0.443 378 D N -0.338 120.051 120.400 -0.019 0.000 2.178 378 D HA -0.045 4.595 4.640 -0.000 0.000 0.202 378 D C 2.024 178.331 176.300 0.012 0.000 0.974 378 D CA 1.311 55.310 54.000 -0.002 0.000 0.841 378 D CB -0.715 40.086 40.800 0.002 0.000 0.953 378 D HN 0.442 nan 8.370 nan 0.000 0.478 379 G N 0.611 109.411 108.800 -0.001 0.000 2.421 379 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.216 379 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.216 379 G C 1.645 176.571 174.900 0.042 0.000 1.171 379 G CA 0.507 45.612 45.100 0.009 0.000 0.775 379 G HN 0.197 nan 8.290 nan 0.000 0.543 380 M N 0.052 119.662 119.600 0.017 0.000 2.175 380 M HA 0.024 4.504 4.480 -0.000 0.000 0.264 380 M C 2.420 178.770 176.300 0.084 0.000 1.063 380 M CA 1.399 56.734 55.300 0.058 0.000 1.119 380 M CB -0.226 32.381 32.600 0.012 0.000 1.377 380 M HN 0.394 nan 8.290 nan 0.000 0.415 381 E N -0.150 120.070 120.200 0.032 0.000 2.077 381 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 381 E C 2.055 178.638 176.600 -0.029 0.000 0.989 381 E CA 1.603 58.002 56.400 -0.003 0.000 0.800 381 E CB 0.052 29.743 29.700 -0.014 0.000 0.746 381 E HN 0.314 nan 8.360 nan 0.000 0.452 382 S N -0.674 115.040 115.700 0.023 0.000 2.355 382 S HA -0.150 4.320 4.470 -0.000 0.000 0.222 382 S C 1.657 176.302 174.600 0.076 0.000 1.031 382 S CA 1.055 59.285 58.200 0.048 0.000 0.993 382 S CB -0.482 62.805 63.200 0.145 0.000 0.859 382 S HN 0.469 nan 8.310 nan 0.000 0.453 383 F N 3.204 123.145 119.950 -0.016 0.000 2.171 383 F HA -0.053 4.474 4.527 -0.000 0.000 0.300 383 F C 2.213 177.997 175.800 -0.026 0.000 1.090 383 F CA 1.841 59.834 58.000 -0.011 0.000 1.293 383 F CB -0.616 38.364 39.000 -0.033 0.000 1.013 383 F HN 0.324 nan 8.300 nan 0.000 0.486 384 N N 1.263 119.962 118.700 -0.001 0.000 2.062 384 N HA -0.247 4.493 4.740 -0.000 0.000 0.191 384 N C 1.899 177.305 175.510 -0.172 0.000 1.042 384 N CA 2.121 55.117 53.050 -0.090 0.000 0.845 384 N CB -0.279 38.203 38.487 -0.009 0.000 1.024 384 N HN 0.506 nan 8.380 nan 0.000 0.424 385 K N -1.061 119.208 120.400 -0.219 0.000 2.228 385 K HA -0.060 4.260 4.320 -0.000 0.000 0.202 385 K C 0.783 177.215 176.600 -0.279 0.000 1.051 385 K CA 1.129 57.246 56.287 -0.284 0.000 0.960 385 K CB -0.167 32.101 32.500 -0.387 0.000 0.743 385 K HN 0.292 nan 8.250 nan 0.000 0.458 386 H N -0.925 118.092 119.070 -0.089 0.000 2.549 386 H HA 0.222 4.778 4.556 -0.000 0.000 0.279 386 H C 0.763 176.001 175.328 -0.149 0.000 1.018 386 H CA -0.198 55.797 56.048 -0.089 0.000 1.175 386 H CB 0.561 30.294 29.762 -0.049 0.000 1.485 386 H HN 0.415 nan 8.280 nan 0.000 0.543 387 C N -1.186 118.008 119.300 -0.177 0.000 3.330 387 C HA 0.467 4.927 4.460 -0.000 0.000 0.411 387 C C 2.728 177.525 174.990 -0.321 0.000 1.640 387 C CA 0.969 59.809 59.018 -0.298 0.000 2.082 387 C CB -0.661 26.752 27.740 -0.546 0.000 2.488 387 C HN 0.372 nan 8.230 nan 0.000 0.520 388 A N 1.569 124.088 122.820 -0.503 0.000 1.892 388 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 388 A C 2.078 179.613 177.584 -0.082 0.000 1.188 388 A CA 3.280 55.156 52.037 -0.269 0.000 0.631 388 A CB -1.293 17.573 19.000 -0.224 0.000 0.822 388 A HN 1.445 nan 8.150 nan 0.000 0.447 389 V N -2.614 117.250 119.914 -0.083 0.000 2.720 389 V HA 0.077 4.197 4.120 -0.000 0.000 0.256 389 V C 1.800 177.892 176.094 -0.002 0.000 1.082 389 V CA 1.840 64.121 62.300 -0.033 0.000 1.101 389 V CB -1.165 30.634 31.823 -0.041 0.000 0.693 389 V HN 0.517 nan 8.190 nan 0.000 0.479 390 G N -0.314 108.481 108.800 -0.007 0.000 3.502 390 G HA2 0.393 4.353 3.960 -0.000 0.000 0.267 390 G HA3 0.393 4.353 3.960 -0.000 0.000 0.267 390 G C 0.368 175.301 174.900 0.056 0.000 1.090 390 G CA -0.420 44.694 45.100 0.024 0.000 0.795 390 G HN 0.493 nan 8.290 nan 0.000 0.535 391 I N 1.697 122.320 120.570 0.088 0.000 2.598 391 I HA 0.126 4.296 4.170 -0.000 0.000 0.284 391 I C -0.224 176.011 176.117 0.196 0.000 1.140 391 I CA 0.443 61.826 61.300 0.139 0.000 1.420 391 I CB 0.752 38.878 38.000 0.210 0.000 1.387 391 I HN 0.011 nan 8.210 nan 0.000 0.553 392 E N 8.410 128.660 120.200 0.082 0.000 2.317 392 E HA 0.450 4.800 4.350 -0.000 0.000 0.270 392 E C -2.505 173.995 176.600 -0.167 0.000 0.885 392 E CA -1.882 54.519 56.400 0.001 0.000 0.760 392 E CB 2.293 32.012 29.700 0.032 0.000 1.227 392 E HN 0.250 nan 8.360 nan 0.000 0.434 393 P HA 0.251 nan 4.420 nan 0.000 0.285 393 P C -0.429 176.769 177.300 -0.169 0.000 1.259 393 P CA -0.609 62.281 63.100 -0.350 0.000 0.794 393 P CB 0.722 32.069 31.700 -0.588 0.000 0.940 394 N N 3.405 122.040 118.700 -0.108 0.000 3.083 394 N HA 0.123 4.863 4.740 -0.000 0.000 0.260 394 N C 1.362 176.838 175.510 -0.056 0.000 1.163 394 N CA -0.179 52.836 53.050 -0.059 0.000 1.060 394 N CB -0.035 38.434 38.487 -0.031 0.000 1.345 394 N HN 0.316 nan 8.380 nan 0.000 0.515 395 R N 0.634 121.095 120.500 -0.064 0.000 2.154 395 R HA -0.240 4.100 4.340 -0.000 0.000 0.248 395 R C 1.158 177.444 176.300 -0.024 0.000 1.155 395 R CA 1.696 57.767 56.100 -0.048 0.000 0.979 395 R CB 0.074 30.350 30.300 -0.039 0.000 0.869 395 R HN 0.459 nan 8.270 nan 0.000 0.452 396 E N 0.221 120.411 120.200 -0.017 0.000 2.046 396 E HA -0.136 4.214 4.350 -0.000 0.000 0.190 396 E C 1.877 178.475 176.600 -0.003 0.000 0.982 396 E CA 0.645 57.041 56.400 -0.007 0.000 0.800 396 E CB -0.297 29.401 29.700 -0.004 0.000 0.756 396 E HN 0.023 nan 8.360 nan 0.000 0.449 397 R N 0.792 121.289 120.500 -0.005 0.000 2.073 397 R HA 0.017 4.357 4.340 -0.000 0.000 0.234 397 R C 2.296 178.599 176.300 0.004 0.000 1.134 397 R CA 1.172 57.274 56.100 0.003 0.000 0.952 397 R CB -0.649 29.654 30.300 0.005 0.000 0.850 397 R HN 0.322 nan 8.270 nan 0.000 0.433 398 I N 1.316 121.883 120.570 -0.006 0.000 2.118 398 I HA -0.366 3.804 4.170 -0.000 0.000 0.241 398 I C 2.101 178.221 176.117 0.004 0.000 1.070 398 I CA 1.502 62.798 61.300 -0.006 0.000 1.327 398 I CB -0.452 37.532 38.000 -0.026 0.000 1.034 398 I HN 0.203 nan 8.210 nan 0.000 0.405 399 N N 0.288 118.990 118.700 0.004 0.000 2.166 399 N HA -0.236 4.504 4.740 -0.000 0.000 0.186 399 N C 1.831 177.353 175.510 0.020 0.000 1.019 399 N CA 1.182 54.240 53.050 0.013 0.000 0.856 399 N CB -0.290 38.204 38.487 0.012 0.000 0.993 399 N HN 0.502 nan 8.380 nan 0.000 0.426 400 Q N 0.968 120.778 119.800 0.016 0.000 2.050 400 Q HA -0.101 4.239 4.340 -0.000 0.000 0.202 400 Q C 2.206 178.221 176.000 0.025 0.000 0.980 400 Q CA 1.009 56.823 55.803 0.019 0.000 0.840 400 Q CB -0.061 28.685 28.738 0.014 0.000 0.898 400 Q HN 0.344 nan 8.270 nan 0.000 0.424 401 L N 0.500 121.737 121.223 0.024 0.000 2.012 401 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 401 L C 2.627 179.517 176.870 0.034 0.000 1.073 401 L CA 0.905 55.762 54.840 0.028 0.000 0.748 401 L CB -0.522 41.554 42.059 0.027 0.000 0.891 401 L HN 0.345 nan 8.230 nan 0.000 0.431 402 L N -0.000 121.242 121.223 0.032 0.000 1.989 402 L HA -0.266 4.074 4.340 -0.000 0.000 0.211 402 L C 2.356 179.259 176.870 0.056 0.000 1.071 402 L CA 1.490 56.354 54.840 0.039 0.000 0.749 402 L CB -0.470 41.610 42.059 0.035 0.000 0.890 402 L HN 0.431 nan 8.230 nan 0.000 0.431 403 N N -0.306 118.429 118.700 0.058 0.000 2.381 403 N HA -0.155 4.585 4.740 -0.000 0.000 0.182 403 N C 1.490 177.040 175.510 0.068 0.000 1.025 403 N CA 0.923 54.019 53.050 0.077 0.000 0.888 403 N CB -0.076 38.451 38.487 0.066 0.000 0.965 403 N HN 0.463 nan 8.380 nan 0.000 0.438 404 E N 0.369 120.599 120.200 0.050 0.000 2.442 404 E HA 0.014 4.364 4.350 -0.000 0.000 0.195 404 E C 0.409 177.040 176.600 0.052 0.000 1.030 404 E CA -0.094 56.332 56.400 0.043 0.000 0.869 404 E CB 0.270 29.989 29.700 0.032 0.000 0.857 404 E HN 0.280 nan 8.360 nan 0.000 0.505 405 S N -0.267 115.467 115.700 0.057 0.000 2.632 405 S HA 0.187 4.657 4.470 -0.000 0.000 0.267 405 S C 0.884 175.526 174.600 0.070 0.000 1.276 405 S CA -0.568 57.666 58.200 0.057 0.000 0.998 405 S CB 0.977 64.206 63.200 0.047 0.000 0.953 405 S HN 0.128 nan 8.310 nan 0.000 0.547 406 L N 0.401 121.660 121.223 0.060 0.000 2.585 406 L HA 0.144 4.484 4.340 -0.000 0.000 0.226 406 L C 1.885 178.783 176.870 0.046 0.000 1.113 406 L CA -0.029 54.848 54.840 0.062 0.000 0.876 406 L CB -0.338 41.752 42.059 0.051 0.000 1.072 406 L HN 0.592 nan 8.230 nan 0.000 0.468 407 M N 0.057 119.679 119.600 0.038 0.000 2.460 407 M HA -0.075 4.405 4.480 -0.000 0.000 0.263 407 M C 1.925 178.242 176.300 0.028 0.000 1.071 407 M CA 1.395 56.712 55.300 0.027 0.000 1.096 407 M CB -0.736 31.878 32.600 0.023 0.000 1.408 407 M HN 0.294 nan 8.290 nan 0.000 0.463 408 L N -1.198 120.051 121.223 0.043 0.000 2.599 408 L HA -0.004 4.336 4.340 -0.000 0.000 0.230 408 L C 2.269 179.151 176.870 0.020 0.000 1.141 408 L CA -0.242 54.617 54.840 0.031 0.000 0.877 408 L CB -0.579 41.506 42.059 0.043 0.000 1.009 408 L HN 0.052 nan 8.230 nan 0.000 0.447 409 V N 0.260 120.195 119.914 0.035 0.000 2.568 409 V HA -0.301 3.819 4.120 -0.000 0.000 0.253 409 V C 2.335 178.429 176.094 -0.000 0.000 1.072 409 V CA 2.574 64.892 62.300 0.030 0.000 1.084 409 V CB -0.282 31.554 31.823 0.022 0.000 0.676 409 V HN 0.548 nan 8.190 nan 0.000 0.469 410 T N 0.572 115.124 114.554 -0.005 0.000 2.849 410 T HA -0.148 4.202 4.350 -0.000 0.000 0.270 410 T C 1.910 176.597 174.700 -0.021 0.000 1.066 410 T CA 1.406 63.501 62.100 -0.009 0.000 1.130 410 T CB -0.499 68.370 68.868 0.001 0.000 0.864 410 T HN 0.700 nan 8.240 nan 0.000 0.481 411 A N 0.934 123.745 122.820 -0.014 0.000 2.121 411 A HA 0.136 4.456 4.320 -0.000 0.000 0.218 411 A C 2.103 179.706 177.584 0.032 0.000 1.154 411 A CA 0.818 52.853 52.037 -0.004 0.000 0.679 411 A CB -0.600 18.399 19.000 -0.002 0.000 0.795 411 A HN 0.531 nan 8.150 nan 0.000 0.458 412 L N -0.978 120.262 121.223 0.029 0.000 2.446 412 L HA -0.016 4.324 4.340 -0.000 0.000 0.219 412 L C 1.857 178.698 176.870 -0.048 0.000 1.116 412 L CA 0.100 54.986 54.840 0.077 0.000 0.844 412 L CB -0.487 41.641 42.059 0.113 0.000 0.970 412 L HN 0.233 nan 8.230 nan 0.000 0.457 413 N N 0.574 119.222 118.700 -0.086 0.000 2.036 413 N HA -0.203 4.537 4.740 -0.000 0.000 0.195 413 N C 1.961 177.353 175.510 -0.197 0.000 1.037 413 N CA 2.278 55.269 53.050 -0.099 0.000 0.855 413 N CB -0.753 37.710 38.487 -0.040 0.000 1.033 413 N HN 0.371 nan 8.380 nan 0.000 0.423 414 T N -2.647 111.697 114.554 -0.351 0.000 2.977 414 T HA -0.083 4.267 4.350 -0.000 0.000 0.271 414 T C 1.296 175.631 174.700 -0.608 0.000 1.105 414 T CA 1.275 63.088 62.100 -0.478 0.000 1.116 414 T CB -0.391 68.121 68.868 -0.594 0.000 0.878 414 T HN 0.425 nan 8.240 nan 0.000 0.509 415 H N 0.979 119.800 119.070 -0.416 0.000 2.439 415 H HA 0.415 4.971 4.556 -0.000 0.000 0.299 415 H C 2.032 177.130 175.328 -0.384 0.000 1.033 415 H CA 0.939 56.606 56.048 -0.635 0.000 1.348 415 H CB 0.192 29.079 29.762 -1.458 0.000 1.449 415 H HN 0.509 nan 8.280 nan 0.000 0.544 416 I N -2.774 117.712 120.570 -0.141 0.000 4.154 416 I HA 0.523 4.693 4.170 -0.000 0.000 0.334 416 I C 0.371 176.435 176.117 -0.087 0.000 1.371 416 I CA 0.044 61.299 61.300 -0.075 0.000 1.110 416 I CB 0.927 38.926 38.000 -0.003 0.000 1.085 416 I HN 0.233 nan 8.210 nan 0.000 0.398 417 G N 1.527 110.279 108.800 -0.080 0.000 2.705 417 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.686 417 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.686 417 G C -0.238 174.663 174.900 0.002 0.000 1.285 417 G CA 0.082 45.161 45.100 -0.034 0.000 0.800 417 G HN 0.360 nan 8.290 nan 0.000 0.611 418 Y N 0.635 120.898 120.300 -0.062 0.000 2.165 418 Y HA -0.145 4.405 4.550 -0.000 0.000 0.286 418 Y C 2.531 178.416 175.900 -0.026 0.000 1.155 418 Y CA 2.711 60.787 58.100 -0.040 0.000 1.164 418 Y CB 0.053 38.490 38.460 -0.038 0.000 0.978 418 Y HN 0.629 nan 8.280 nan 0.000 0.513 419 D N 0.128 120.606 120.400 0.129 0.000 2.117 419 D HA -0.181 4.459 4.640 -0.000 0.000 0.197 419 D C 1.969 178.238 176.300 -0.052 0.000 0.987 419 D CA 1.604 55.637 54.000 0.055 0.000 0.829 419 D CB -0.181 40.668 40.800 0.081 0.000 0.961 419 D HN 0.430 nan 8.370 nan 0.000 0.460 420 K N 0.605 120.949 120.400 -0.095 0.000 2.103 420 K HA 0.003 4.323 4.320 -0.000 0.000 0.204 420 K C 2.194 178.774 176.600 -0.032 0.000 1.052 420 K CA 0.815 57.019 56.287 -0.139 0.000 0.945 420 K CB 0.010 32.274 32.500 -0.393 0.000 0.722 420 K HN -0.010 nan 8.250 nan 0.000 0.443 421 A N 1.467 124.236 122.820 -0.085 0.000 1.902 421 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 421 A C 2.335 179.848 177.584 -0.118 0.000 1.181 421 A CA 1.907 53.902 52.037 -0.071 0.000 0.623 421 A CB -0.655 18.273 19.000 -0.121 0.000 0.818 421 A HN 0.332 nan 8.150 nan 0.000 0.443 422 A N -0.545 122.113 122.820 -0.270 0.000 1.969 422 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 422 A C 1.992 179.536 177.584 -0.066 0.000 1.169 422 A CA 1.695 53.586 52.037 -0.244 0.000 0.635 422 A CB -0.462 18.300 19.000 -0.396 0.000 0.810 422 A HN 0.694 nan 8.150 nan 0.000 0.445 423 E N 0.023 120.220 120.200 -0.005 0.000 2.051 423 E HA -0.169 4.181 4.350 -0.000 0.000 0.192 423 E C 1.841 178.498 176.600 0.095 0.000 0.991 423 E CA 1.286 57.731 56.400 0.075 0.000 0.799 423 E CB -0.230 29.564 29.700 0.157 0.000 0.748 423 E HN 0.658 nan 8.360 nan 0.000 0.449 424 I N 1.039 121.685 120.570 0.127 0.000 2.163 424 I HA -0.295 3.875 4.170 -0.000 0.000 0.243 424 I C 2.612 178.779 176.117 0.084 0.000 1.085 424 I CA 1.133 62.508 61.300 0.125 0.000 1.347 424 I CB -0.391 37.718 38.000 0.182 0.000 1.044 424 I HN 0.207 nan 8.210 nan 0.000 0.408 425 A N 0.694 123.551 122.820 0.061 0.000 1.877 425 A HA -0.232 4.088 4.320 -0.000 0.000 0.216 425 A C 2.336 179.965 177.584 0.075 0.000 1.186 425 A CA 1.688 53.758 52.037 0.054 0.000 0.620 425 A CB -0.480 18.524 19.000 0.008 0.000 0.822 425 A HN 0.306 nan 8.150 nan 0.000 0.443 426 K N -0.451 119.986 120.400 0.062 0.000 2.063 426 K HA -0.162 4.158 4.320 -0.000 0.000 0.208 426 K C 2.282 178.942 176.600 0.099 0.000 1.048 426 K CA 1.563 57.905 56.287 0.091 0.000 0.928 426 K CB -0.146 32.392 32.500 0.063 0.000 0.713 426 K HN 0.419 nan 8.250 nan 0.000 0.442 427 K N 0.741 121.179 120.400 0.064 0.000 2.002 427 K HA -0.132 4.188 4.320 -0.000 0.000 0.209 427 K C 2.139 178.757 176.600 0.030 0.000 1.048 427 K CA 1.365 57.673 56.287 0.035 0.000 0.930 427 K CB -0.145 32.365 32.500 0.018 0.000 0.714 427 K HN 0.115 nan 8.250 nan 0.000 0.438 428 A N 0.603 123.452 122.820 0.048 0.000 1.940 428 A HA -0.240 4.080 4.320 -0.000 0.000 0.219 428 A C 1.980 179.597 177.584 0.055 0.000 1.176 428 A CA 2.128 54.190 52.037 0.042 0.000 0.631 428 A CB -0.872 18.163 19.000 0.059 0.000 0.814 428 A HN 0.613 nan 8.150 nan 0.000 0.446 429 H N -0.482 118.592 119.070 0.007 0.000 2.326 429 H HA -0.018 4.538 4.556 -0.000 0.000 0.301 429 H C 1.861 177.191 175.328 0.002 0.000 1.081 429 H CA 2.114 58.165 56.048 0.005 0.000 1.334 429 H CB -0.065 29.701 29.762 0.006 0.000 1.385 429 H HN 0.289 nan 8.280 nan 0.000 0.504 430 K N 0.461 120.762 120.400 -0.165 0.000 2.097 430 K HA -0.043 4.277 4.320 -0.000 0.000 0.205 430 K C 1.956 178.466 176.600 -0.150 0.000 1.050 430 K CA 1.599 57.767 56.287 -0.198 0.000 0.938 430 K CB 0.127 32.597 32.500 -0.050 0.000 0.718 430 K HN 0.524 nan 8.250 nan 0.000 0.442 431 E N -1.092 119.053 120.200 -0.092 0.000 2.474 431 E HA 0.128 4.478 4.350 -0.000 0.000 0.194 431 E C 0.182 176.742 176.600 -0.067 0.000 1.041 431 E CA 0.311 56.670 56.400 -0.068 0.000 0.874 431 E CB 0.495 30.169 29.700 -0.044 0.000 0.914 431 E HN 0.352 nan 8.360 nan 0.000 0.498 432 G N 1.783 110.536 108.800 -0.078 0.000 2.248 432 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.263 432 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.263 432 G C -0.138 174.744 174.900 -0.031 0.000 1.082 432 G CA 0.101 45.168 45.100 -0.054 0.000 0.863 432 G HN 0.101 nan 8.290 nan 0.000 0.495 433 L N -0.223 120.987 121.223 -0.022 0.000 2.286 433 L HA 0.803 5.143 4.340 -0.000 0.000 0.265 433 L C 1.210 178.076 176.870 -0.007 0.000 1.012 433 L CA -0.737 54.090 54.840 -0.022 0.000 0.818 433 L CB 1.710 43.750 42.059 -0.032 0.000 1.337 433 L HN 0.331 nan 8.230 nan 0.000 0.438 434 T N -2.283 112.257 114.554 -0.023 0.000 2.882 434 T HA 0.339 4.689 4.350 -0.000 0.000 0.287 434 T C 1.241 175.931 174.700 -0.017 0.000 1.014 434 T CA -0.705 61.387 62.100 -0.013 0.000 1.049 434 T CB 0.947 69.788 68.868 -0.046 0.000 1.001 434 T HN 0.467 nan 8.240 nan 0.000 0.525 435 L N 0.498 121.749 121.223 0.046 0.000 2.043 435 L HA -0.126 4.214 4.340 -0.000 0.000 0.212 435 L C 2.982 179.830 176.870 -0.037 0.000 1.075 435 L CA 1.738 56.649 54.840 0.117 0.000 0.752 435 L CB -0.560 41.692 42.059 0.321 0.000 0.891 435 L HN 0.837 nan 8.230 nan 0.000 0.432 436 K N 0.234 120.378 120.400 -0.428 0.000 2.025 436 K HA -0.185 4.135 4.320 -0.000 0.000 0.207 436 K C 2.169 178.522 176.600 -0.411 0.000 1.049 436 K CA 1.337 57.052 56.287 -0.953 0.000 0.933 436 K CB -0.103 31.674 32.500 -1.204 0.000 0.714 436 K HN 0.259 nan 8.250 nan 0.000 0.438 437 A N 1.071 123.739 122.820 -0.252 0.000 1.908 437 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 437 A C 2.306 179.822 177.584 -0.114 0.000 1.181 437 A CA 1.973 53.916 52.037 -0.156 0.000 0.627 437 A CB -0.761 18.172 19.000 -0.110 0.000 0.818 437 A HN 0.507 nan 8.150 nan 0.000 0.445 438 A N -0.212 122.559 122.820 -0.082 0.000 1.873 438 A HA 0.213 4.533 4.320 -0.000 0.000 0.215 438 A C 2.529 180.082 177.584 -0.052 0.000 1.186 438 A CA 1.985 53.993 52.037 -0.048 0.000 0.616 438 A CB -1.086 17.913 19.000 -0.002 0.000 0.823 438 A HN 1.071 nan 8.150 nan 0.000 0.442 439 A N -0.670 122.143 122.820 -0.011 0.000 1.908 439 A HA -0.051 4.269 4.320 -0.000 0.000 0.218 439 A C 2.006 179.569 177.584 -0.034 0.000 1.181 439 A CA 1.814 53.880 52.037 0.050 0.000 0.627 439 A CB -0.521 18.594 19.000 0.191 0.000 0.818 439 A HN 0.393 nan 8.150 nan 0.000 0.445 440 L N -0.623 120.551 121.223 -0.082 0.000 2.109 440 L HA -0.015 4.325 4.340 -0.000 0.000 0.207 440 L C 2.951 179.760 176.870 -0.103 0.000 1.086 440 L CA 1.690 56.476 54.840 -0.090 0.000 0.760 440 L CB -1.065 40.926 42.059 -0.114 0.000 0.910 440 L HN 0.388 nan 8.230 nan 0.000 0.437 441 A N -1.121 121.632 122.820 -0.111 0.000 1.933 441 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 441 A C 2.110 179.601 177.584 -0.155 0.000 1.175 441 A CA 1.430 53.401 52.037 -0.111 0.000 0.628 441 A CB -0.566 18.376 19.000 -0.096 0.000 0.814 441 A HN 0.298 nan 8.150 nan 0.000 0.444 442 L N -1.311 119.770 121.223 -0.237 0.000 2.341 442 L HA 0.189 4.529 4.340 -0.000 0.000 0.214 442 L C 1.824 178.427 176.870 -0.446 0.000 1.115 442 L CA 1.293 55.864 54.840 -0.448 0.000 0.820 442 L CB -1.071 40.520 42.059 -0.781 0.000 0.944 442 L HN 0.695 nan 8.230 nan 0.000 0.452 443 G N -1.913 106.745 108.800 -0.237 0.000 2.176 443 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.252 443 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.252 443 G C 0.662 175.597 174.900 0.058 0.000 1.024 443 G CA 0.492 45.540 45.100 -0.085 0.000 0.755 443 G HN 0.263 nan 8.290 nan 0.000 0.507 444 Y N -0.648 119.688 120.300 0.060 0.000 2.457 444 Y HA 0.391 4.941 4.550 -0.000 0.000 0.292 444 Y C 1.786 177.761 175.900 0.126 0.000 1.125 444 Y CA 0.908 59.065 58.100 0.095 0.000 1.254 444 Y CB 0.008 38.535 38.460 0.111 0.000 1.012 444 Y HN 0.745 nan 8.280 nan 0.000 0.555 445 L N -3.845 117.522 121.223 0.241 0.000 2.720 445 L HA 0.661 5.001 4.340 -0.000 0.000 0.261 445 L C -0.306 176.577 176.870 0.022 0.000 1.046 445 L CA -1.340 53.577 54.840 0.129 0.000 0.886 445 L CB 1.645 43.797 42.059 0.155 0.000 1.493 445 L HN -0.220 nan 8.230 nan 0.000 0.407 446 S N -1.329 114.325 115.700 -0.076 0.000 2.652 446 S HA 0.272 4.742 4.470 -0.000 0.000 0.270 446 S C 0.685 175.228 174.600 -0.094 0.000 1.243 446 S CA 0.182 58.331 58.200 -0.085 0.000 0.999 446 S CB 1.671 64.809 63.200 -0.105 0.000 0.973 446 S HN 0.944 nan 8.310 nan 0.000 0.544 447 E N 1.041 121.194 120.200 -0.078 0.000 2.110 447 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 447 E C 2.055 178.623 176.600 -0.054 0.000 0.988 447 E CA 1.214 57.576 56.400 -0.063 0.000 0.804 447 E CB -0.536 29.117 29.700 -0.078 0.000 0.745 447 E HN 0.835 nan 8.360 nan 0.000 0.458 448 A N 0.906 123.662 122.820 -0.107 0.000 1.930 448 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 448 A C 1.888 179.309 177.584 -0.272 0.000 1.175 448 A CA 1.533 53.487 52.037 -0.139 0.000 0.627 448 A CB -0.397 18.527 19.000 -0.126 0.000 0.815 448 A HN 0.308 nan 8.150 nan 0.000 0.443 449 E N -1.513 118.430 120.200 -0.428 0.000 2.106 449 E HA -0.131 4.219 4.350 -0.000 0.000 0.192 449 E C 1.724 177.788 176.600 -0.893 0.000 0.984 449 E CA 1.071 56.877 56.400 -0.991 0.000 0.806 449 E CB -0.235 28.704 29.700 -1.267 0.000 0.750 449 E HN 0.688 nan 8.360 nan 0.000 0.458 450 F N 2.396 122.061 119.950 -0.475 0.000 2.075 450 F HA -0.212 4.315 4.527 -0.000 0.000 0.297 450 F C 1.768 177.493 175.800 -0.125 0.000 1.113 450 F CA 1.616 59.503 58.000 -0.188 0.000 1.218 450 F CB 0.014 38.961 39.000 -0.089 0.000 0.984 450 F HN -0.096 nan 8.300 nan 0.000 0.472 451 D N -0.493 119.972 120.400 0.109 0.000 2.218 451 D HA -0.137 4.503 4.640 -0.000 0.000 0.204 451 D C 2.344 178.620 176.300 -0.040 0.000 0.976 451 D CA 1.493 55.530 54.000 0.061 0.000 0.853 451 D CB -0.246 40.580 40.800 0.044 0.000 0.939 451 D HN 0.277 nan 8.370 nan 0.000 0.481 452 S N -0.407 115.208 115.700 -0.142 0.000 2.439 452 S HA -0.039 4.431 4.470 -0.000 0.000 0.224 452 S C 1.558 176.186 174.600 0.046 0.000 1.029 452 S CA 0.066 58.212 58.200 -0.090 0.000 0.946 452 S CB 0.107 63.207 63.200 -0.167 0.000 0.797 452 S HN 0.332 nan 8.310 nan 0.000 0.504 453 W N 1.113 122.290 121.300 -0.206 0.000 2.481 453 W HA 0.340 5.000 4.660 -0.000 0.000 0.293 453 W C 1.083 177.502 176.519 -0.166 0.000 1.201 453 W CA -0.479 56.710 57.345 -0.260 0.000 1.328 453 W CB -1.038 28.139 29.460 -0.470 0.000 1.112 453 W HN -0.005 nan 8.180 nan 0.000 0.546 454 V N 4.617 124.490 119.914 -0.070 0.000 2.222 454 V HA 0.291 4.411 4.120 -0.000 0.000 0.253 454 V C -0.357 175.704 176.094 -0.056 0.000 1.210 454 V CA -0.274 61.936 62.300 -0.151 0.000 1.079 454 V CB -0.523 31.014 31.823 -0.477 0.000 1.265 454 V HN -0.176 nan 8.190 nan 0.000 0.494 455 R N 7.924 128.427 120.500 0.005 0.000 2.278 455 R HA 0.390 4.730 4.340 -0.000 0.000 0.322 455 R C -1.721 174.588 176.300 0.016 0.000 1.058 455 R CA -2.802 53.309 56.100 0.018 0.000 0.991 455 R CB 1.026 31.346 30.300 0.034 0.000 1.140 455 R HN 0.420 nan 8.270 nan 0.000 0.518 456 P HA -0.208 nan 4.420 nan 0.000 0.220 456 P C 0.666 177.974 177.300 0.014 0.000 1.144 456 P CA 1.112 64.221 63.100 0.015 0.000 0.800 456 P CB 0.396 32.108 31.700 0.020 0.000 0.772 457 E N 1.246 121.456 120.200 0.017 0.000 2.333 457 E HA -0.195 4.155 4.350 -0.000 0.000 0.198 457 E C 0.639 177.247 176.600 0.014 0.000 1.007 457 E CA 0.887 57.297 56.400 0.016 0.000 0.845 457 E CB -0.702 29.009 29.700 0.018 0.000 0.766 457 E HN 0.436 nan 8.360 nan 0.000 0.507 458 Q N 1.438 121.247 119.800 0.014 0.000 2.375 458 Q HA 0.239 4.579 4.340 -0.000 0.000 0.316 458 Q C 0.788 176.791 176.000 0.006 0.000 0.927 458 Q CA -0.346 55.464 55.803 0.011 0.000 1.029 458 Q CB 0.018 28.765 28.738 0.015 0.000 1.202 458 Q HN 0.259 nan 8.270 nan 0.000 0.431 459 M N 0.000 119.603 119.600 0.005 0.000 2.572 459 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 459 M CA 0.000 55.301 55.300 0.002 0.000 0.988 459 M CB 0.000 32.603 32.600 0.004 0.000 1.302 459 M HN 0.000 nan 8.290 nan 0.000 0.411