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 1miv_1_B DATA FIRST_RESID 2 DATA SEQUENCE KPPFQEALGI IQQLKQHGYD AYFVGGAVRD LLLGRPIGDV DIATSALPED DATA SEQUENCE VXAIFPKTID VGSKHGTVVV VHKGKAYEVT TFKTDGXXXX XXXXXSVTFV DATA SEQUENCE RSLEEDLKRR DFTXNAIAXD EYGTIIDPFG GREAIRRRII RTVGEAEKRF DATA SEQUENCE REDALRXXRA VRFVSELGFA LAPDTEQAIV QNAPLLAHIS VERXTXEXEK DATA SEQUENCE LLGGPFAARA LPLLAETGLN AYLPGLAGKE KQLRLAAAYR WPWLAAREER DATA SEQUENCE WALLCHALGV QESRPFLRAW KLPNKVVDEA GAILTALADI PRPEAWTNEQ DATA SEQUENCE LFSAGLERAL SVETVRAAFT GAPPGPWHEK LRRRFASLPI KTKGELAVNG DATA SEQUENCE KDVIEWVGKP AGPWVKEALD AIWRAVVNGE VENEKERIYA WLXERNRTRE DATA SEQUENCE KNC 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.700 176.600 0.167 0.000 0.988 2 K CA 0.000 56.358 56.287 0.119 0.000 0.838 2 K CB 0.000 32.586 32.500 0.143 0.000 1.064 3 P HA -0.179 nan 4.420 nan 0.000 0.217 3 P C -1.514 175.830 177.300 0.073 0.000 1.158 3 P CA 2.216 65.369 63.100 0.088 0.000 0.887 3 P CB -0.911 30.824 31.700 0.059 0.000 0.792 4 P HA -0.191 nan 4.420 nan 0.000 0.216 4 P C 1.212 178.371 177.300 -0.236 0.000 1.157 4 P CA 1.522 64.555 63.100 -0.111 0.000 0.880 4 P CB -0.568 31.000 31.700 -0.220 0.000 0.791 5 F N -1.378 118.464 119.950 -0.180 0.000 2.335 5 F HA -0.019 4.508 4.527 -0.000 0.000 0.296 5 F C 2.704 178.466 175.800 -0.062 0.000 1.091 5 F CA 0.701 58.480 58.000 -0.369 0.000 1.399 5 F CB -1.253 37.378 39.000 -0.616 0.000 1.067 5 F HN -0.138 nan 8.300 nan 0.000 0.520 6 Q N 1.245 121.162 119.800 0.196 0.000 2.096 6 Q HA -0.259 4.081 4.340 -0.000 0.000 0.208 6 Q C 1.833 177.926 176.000 0.154 0.000 0.993 6 Q CA 2.410 58.313 55.803 0.167 0.000 0.862 6 Q CB -0.277 28.534 28.738 0.121 0.000 0.915 6 Q HN 0.520 nan 8.270 nan 0.000 0.416 7 E N -0.546 119.731 120.200 0.128 0.000 2.077 7 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 7 E C 1.837 178.544 176.600 0.179 0.000 0.989 7 E CA 1.047 57.535 56.400 0.147 0.000 0.800 7 E CB -0.277 29.508 29.700 0.143 0.000 0.746 7 E HN 0.489 nan 8.360 nan 0.000 0.452 8 A N 0.994 123.855 122.820 0.068 0.000 2.119 8 A HA -0.057 4.263 4.320 -0.000 0.000 0.216 8 A C 2.013 179.637 177.584 0.067 0.000 1.152 8 A CA 0.311 52.256 52.037 -0.154 0.000 0.708 8 A CB -0.310 18.413 19.000 -0.461 0.000 0.805 8 A HN 0.131 nan 8.150 nan 0.000 0.460 9 L N 0.403 121.782 121.223 0.261 0.000 2.034 9 L HA -0.216 4.124 4.340 -0.000 0.000 0.217 9 L C 2.511 179.373 176.870 -0.014 0.000 1.077 9 L CA 2.138 57.079 54.840 0.169 0.000 0.769 9 L CB -1.326 40.835 42.059 0.170 0.000 0.890 9 L HN 0.398 nan 8.230 nan 0.000 0.435 10 G N -0.361 108.446 108.800 0.011 0.000 2.649 10 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.220 10 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.220 10 G C 1.650 176.441 174.900 -0.180 0.000 1.189 10 G CA 1.574 46.639 45.100 -0.059 0.000 0.777 10 G HN 0.499 nan 8.290 nan 0.000 0.602 11 I N 0.846 121.200 120.570 -0.359 0.000 2.091 11 I HA -0.235 3.935 4.170 -0.000 0.000 0.239 11 I C 2.783 178.863 176.117 -0.061 0.000 1.061 11 I CA 1.153 62.327 61.300 -0.210 0.000 1.317 11 I CB -0.382 37.354 38.000 -0.441 0.000 1.031 11 I HN 0.149 nan 8.210 nan 0.000 0.401 12 I N 0.514 120.968 120.570 -0.193 0.000 2.091 12 I HA -0.353 3.817 4.170 -0.000 0.000 0.239 12 I C 2.652 178.678 176.117 -0.151 0.000 1.061 12 I CA 1.919 63.077 61.300 -0.236 0.000 1.317 12 I CB -1.377 36.370 38.000 -0.422 0.000 1.031 12 I HN 0.438 nan 8.210 nan 0.000 0.401 13 Q N 0.331 120.048 119.800 -0.138 0.000 2.062 13 Q HA -0.287 4.053 4.340 -0.000 0.000 0.209 13 Q C 2.312 178.275 176.000 -0.063 0.000 0.996 13 Q CA 1.911 57.651 55.803 -0.105 0.000 0.859 13 Q CB -0.264 28.430 28.738 -0.074 0.000 0.920 13 Q HN 0.591 nan 8.270 nan 0.000 0.415 14 Q N 0.207 119.993 119.800 -0.024 0.000 2.050 14 Q HA -0.154 4.186 4.340 -0.000 0.000 0.202 14 Q C 2.249 178.274 176.000 0.042 0.000 0.980 14 Q CA 1.098 56.898 55.803 -0.006 0.000 0.840 14 Q CB -0.127 28.601 28.738 -0.017 0.000 0.898 14 Q HN 0.382 nan 8.270 nan 0.000 0.424 15 L N 0.541 121.797 121.223 0.054 0.000 2.079 15 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 15 L C 2.445 179.387 176.870 0.121 0.000 1.081 15 L CA 1.214 56.108 54.840 0.091 0.000 0.752 15 L CB -0.289 41.795 42.059 0.041 0.000 0.896 15 L HN 0.138 nan 8.230 nan 0.000 0.433 16 K N -0.339 120.065 120.400 0.007 0.000 2.057 16 K HA -0.189 4.131 4.320 -0.000 0.000 0.206 16 K C 2.161 178.740 176.600 -0.036 0.000 1.050 16 K CA 1.285 57.556 56.287 -0.027 0.000 0.935 16 K CB -0.033 32.415 32.500 -0.087 0.000 0.715 16 K HN 0.349 nan 8.250 nan 0.000 0.439 17 Q N -0.480 119.278 119.800 -0.069 0.000 2.234 17 Q HA -0.144 4.196 4.340 -0.000 0.000 0.206 17 Q C 1.047 176.899 176.000 -0.246 0.000 0.980 17 Q CA 1.079 56.784 55.803 -0.164 0.000 0.869 17 Q CB 0.063 28.667 28.738 -0.224 0.000 0.912 17 Q HN 0.379 nan 8.270 nan 0.000 0.436 18 H N -1.147 117.903 119.070 -0.032 0.000 2.538 18 H HA 0.185 4.741 4.556 -0.000 0.000 0.286 18 H C 0.523 175.729 175.328 -0.203 0.000 1.035 18 H CA 0.653 56.678 56.048 -0.039 0.000 1.169 18 H CB 0.307 30.125 29.762 0.094 0.000 1.417 18 H HN 0.363 nan 8.280 nan 0.000 0.567 19 G N 0.808 109.539 108.800 -0.116 0.000 2.333 19 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.296 19 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.296 19 G C -0.008 174.655 174.900 -0.397 0.000 1.059 19 G CA 0.445 45.405 45.100 -0.233 0.000 1.050 19 G HN 0.506 nan 8.290 nan 0.000 0.508 20 Y N -0.626 119.650 120.300 -0.040 0.000 2.673 20 Y HA 0.356 4.906 4.550 -0.000 0.000 0.278 20 Y C 1.185 177.033 175.900 -0.086 0.000 1.127 20 Y CA 0.519 58.578 58.100 -0.068 0.000 1.261 20 Y CB 0.788 39.193 38.460 -0.092 0.000 1.412 20 Y HN 0.463 nan 8.280 nan 0.000 0.496 21 D N -0.027 120.390 120.400 0.028 0.000 4.704 21 D HA 0.066 4.706 4.640 -0.000 0.000 0.225 21 D C -0.926 175.264 176.300 -0.184 0.000 1.436 21 D CA 0.537 54.480 54.000 -0.095 0.000 1.085 21 D CB -0.622 40.188 40.800 0.017 0.000 0.518 21 D HN 0.446 nan 8.370 nan 0.000 0.246 22 A N 2.796 125.367 122.820 -0.415 0.000 2.527 22 A HA 0.901 5.221 4.320 -0.000 0.000 0.293 22 A C -1.466 175.711 177.584 -0.678 0.000 1.117 22 A CA -0.660 51.160 52.037 -0.360 0.000 0.723 22 A CB 1.425 20.295 19.000 -0.217 0.000 1.313 22 A HN 0.383 nan 8.150 nan 0.000 0.411 23 Y N -1.259 119.048 120.300 0.012 0.000 2.544 23 Y HA 0.489 5.039 4.550 0.000 0.000 0.342 23 Y C -0.676 175.218 175.900 -0.009 0.000 1.062 23 Y CA -0.635 57.440 58.100 -0.042 0.000 1.023 23 Y CB 1.767 40.284 38.460 0.095 0.000 1.308 23 Y HN 0.599 nan 8.280 nan 0.000 0.457 24 F N 3.443 123.573 119.950 0.299 0.000 2.494 24 F HA 0.361 4.888 4.527 -0.000 0.000 0.369 24 F C 0.646 176.604 175.800 0.263 0.000 1.098 24 F CA -0.508 57.662 58.000 0.284 0.000 1.154 24 F CB 0.192 39.422 39.000 0.383 0.000 1.103 24 F HN 0.234 nan 8.300 nan 0.000 0.549 25 V N 1.236 121.394 119.914 0.408 0.000 3.177 25 V HA 1.065 5.185 4.120 -0.000 0.000 0.319 25 V C 0.264 176.505 176.094 0.245 0.000 1.125 25 V CA -0.104 62.361 62.300 0.275 0.000 1.029 25 V CB 1.073 33.022 31.823 0.210 0.000 1.119 25 V HN 1.095 nan 8.190 nan 0.000 0.452 26 G N 0.380 109.286 108.800 0.176 0.000 2.548 26 G HA2 0.199 4.159 3.960 -0.000 0.000 0.208 26 G HA3 0.199 4.159 3.960 -0.000 0.000 0.208 26 G C 0.605 175.588 174.900 0.138 0.000 1.308 26 G CA -0.064 45.125 45.100 0.148 0.000 0.924 26 G HN 1.894 nan 8.290 nan 0.000 0.540 27 G N -0.083 108.791 108.800 0.123 0.000 2.446 27 G HA2 0.233 4.193 3.960 -0.000 0.000 0.217 27 G HA3 0.233 4.193 3.960 -0.000 0.000 0.217 27 G C 2.297 177.269 174.900 0.119 0.000 1.168 27 G CA 3.335 48.500 45.100 0.108 0.000 0.771 27 G HN 2.164 nan 8.290 nan 0.000 0.551 28 A N 0.162 123.055 122.820 0.122 0.000 1.923 28 A HA -0.183 4.137 4.320 -0.000 0.000 0.222 28 A C 2.641 180.420 177.584 0.325 0.000 1.258 28 A CA 2.832 54.964 52.037 0.159 0.000 0.670 28 A CB -1.001 18.029 19.000 0.051 0.000 0.834 28 A HN 0.427 nan 8.150 nan 0.000 0.470 29 V N 0.159 120.245 119.914 0.287 0.000 2.223 29 V HA -0.277 3.843 4.120 -0.000 0.000 0.244 29 V C 2.636 178.813 176.094 0.138 0.000 1.045 29 V CA 2.262 64.685 62.300 0.205 0.000 1.000 29 V CB -0.976 30.949 31.823 0.170 0.000 0.635 29 V HN 0.705 nan 8.190 nan 0.000 0.445 30 R N 0.292 120.862 120.500 0.117 0.000 2.112 30 R HA -0.280 4.060 4.340 -0.000 0.000 0.242 30 R C 2.045 178.402 176.300 0.095 0.000 1.137 30 R CA 2.652 58.805 56.100 0.089 0.000 0.944 30 R CB -0.755 29.576 30.300 0.051 0.000 0.857 30 R HN 0.525 nan 8.270 nan 0.000 0.435 31 D N 0.605 121.066 120.400 0.101 0.000 2.158 31 D HA -0.180 4.460 4.640 -0.000 0.000 0.197 31 D C 1.829 178.196 176.300 0.111 0.000 0.995 31 D CA 0.957 55.016 54.000 0.098 0.000 0.846 31 D CB -0.277 40.579 40.800 0.093 0.000 0.941 31 D HN 0.168 nan 8.370 nan 0.000 0.456 32 L N 0.568 121.872 121.223 0.134 0.000 1.976 32 L HA -0.125 4.215 4.340 -0.000 0.000 0.209 32 L C 2.230 179.139 176.870 0.066 0.000 1.071 32 L CA 1.522 56.423 54.840 0.101 0.000 0.746 32 L CB -0.856 41.236 42.059 0.056 0.000 0.890 32 L HN 0.046 nan 8.230 nan 0.000 0.432 33 L N -1.272 119.987 121.223 0.061 0.000 2.079 33 L HA -0.243 4.097 4.340 -0.000 0.000 0.210 33 L C 2.447 179.365 176.870 0.079 0.000 1.081 33 L CA 0.911 55.787 54.840 0.059 0.000 0.752 33 L CB -0.698 41.399 42.059 0.063 0.000 0.896 33 L HN 0.339 nan 8.230 nan 0.000 0.433 34 L N -0.074 121.212 121.223 0.105 0.000 2.156 34 L HA 0.048 4.388 4.340 -0.000 0.000 0.208 34 L C 1.516 178.450 176.870 0.108 0.000 1.095 34 L CA 1.752 56.671 54.840 0.132 0.000 0.770 34 L CB -0.683 41.473 42.059 0.162 0.000 0.914 34 L HN 0.404 nan 8.230 nan 0.000 0.439 35 G N -0.448 108.406 108.800 0.090 0.000 2.130 35 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.216 35 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.216 35 G C 0.449 175.396 174.900 0.079 0.000 0.999 35 G CA 0.117 45.264 45.100 0.078 0.000 0.686 35 G HN 0.394 nan 8.290 nan 0.000 0.515 36 R N 0.379 120.928 120.500 0.082 0.000 2.560 36 R HA 0.468 4.808 4.340 -0.000 0.000 0.270 36 R C -2.204 174.134 176.300 0.062 0.000 1.074 36 R CA -1.613 54.529 56.100 0.071 0.000 1.140 36 R CB 0.307 30.646 30.300 0.066 0.000 1.073 36 R HN 0.075 nan 8.270 nan 0.000 0.527 37 P HA -0.025 nan 4.420 nan 0.000 0.266 37 P C -0.582 176.738 177.300 0.033 0.000 1.195 37 P CA 0.447 63.569 63.100 0.037 0.000 0.768 37 P CB 0.405 32.118 31.700 0.022 0.000 0.838 38 I N 1.959 122.545 120.570 0.028 0.000 2.342 38 I HA 0.250 4.420 4.170 -0.000 0.000 0.291 38 I C 1.520 177.615 176.117 -0.036 0.000 1.010 38 I CA 0.213 61.519 61.300 0.010 0.000 1.308 38 I CB 1.202 39.215 38.000 0.021 0.000 1.400 38 I HN 0.452 nan 8.210 nan 0.000 0.488 39 G N 4.594 113.375 108.800 -0.033 0.000 3.056 39 G HA2 0.027 3.987 3.960 -0.000 0.000 0.175 39 G HA3 0.027 3.987 3.960 -0.000 0.000 0.175 39 G C -0.453 174.402 174.900 -0.074 0.000 1.894 39 G CA -0.100 44.973 45.100 -0.045 0.000 0.910 39 G HN 0.541 nan 8.290 nan 0.000 0.462 40 D N -0.068 120.298 120.400 -0.056 0.000 2.264 40 D HA 0.449 5.089 4.640 -0.000 0.000 0.250 40 D C -0.156 176.109 176.300 -0.058 0.000 1.113 40 D CA -0.203 53.761 54.000 -0.059 0.000 0.871 40 D CB 2.150 42.932 40.800 -0.031 0.000 1.167 40 D HN 0.037 nan 8.370 nan 0.000 0.447 41 V N 2.892 122.771 119.914 -0.059 0.000 2.498 41 V HA 0.187 4.307 4.120 -0.000 0.000 0.279 41 V C -0.126 176.042 176.094 0.122 0.000 1.048 41 V CA -0.249 61.983 62.300 -0.112 0.000 0.967 41 V CB 1.354 32.980 31.823 -0.329 0.000 0.988 41 V HN 0.475 nan 8.190 nan 0.000 0.473 42 D N 3.991 124.478 120.400 0.144 0.000 2.256 42 D HA 0.598 5.238 4.640 -0.000 0.000 0.246 42 D C -0.511 175.956 176.300 0.278 0.000 1.042 42 D CA -0.106 54.014 54.000 0.200 0.000 0.841 42 D CB 1.839 42.734 40.800 0.159 0.000 1.223 42 D HN 0.336 nan 8.370 nan 0.000 0.470 43 I N 1.649 122.346 120.570 0.211 0.000 2.404 43 I HA 0.617 4.787 4.170 -0.000 0.000 0.293 43 I C -0.229 175.977 176.117 0.149 0.000 0.992 43 I CA -0.834 60.571 61.300 0.174 0.000 1.149 43 I CB 1.789 39.814 38.000 0.042 0.000 1.315 43 I HN 0.317 nan 8.210 nan 0.000 0.446 44 A N 4.201 127.155 122.820 0.223 0.000 2.350 44 A HA 0.861 5.181 4.320 -0.000 0.000 0.324 44 A C -0.440 177.288 177.584 0.240 0.000 1.118 44 A CA -0.482 51.724 52.037 0.281 0.000 0.783 44 A CB 1.904 21.182 19.000 0.463 0.000 1.236 44 A HN 0.629 nan 8.150 nan 0.000 0.457 45 T N -0.867 113.572 114.554 -0.192 0.000 2.841 45 T HA 0.453 4.803 4.350 -0.000 0.000 0.296 45 T C 1.086 174.932 174.700 -1.423 0.000 1.166 45 T CA 0.353 62.061 62.100 -0.653 0.000 1.007 45 T CB 1.325 69.993 68.868 -0.333 0.000 1.253 45 T HN 1.378 nan 8.240 nan 0.000 0.511 46 S N 1.109 116.130 115.700 -1.133 0.000 2.527 46 S HA 0.356 4.826 4.470 -0.000 0.000 0.222 46 S C 1.047 175.464 174.600 -0.305 0.000 0.985 46 S CA 0.230 58.039 58.200 -0.652 0.000 0.921 46 S CB -0.404 62.705 63.200 -0.151 0.000 0.772 46 S HN 1.018 nan 8.310 nan 0.000 0.529 47 A N 1.919 124.505 122.820 -0.392 0.000 2.488 47 A HA 0.542 4.862 4.320 -0.000 0.000 0.249 47 A C 0.185 177.472 177.584 -0.495 0.000 1.083 47 A CA -0.467 51.168 52.037 -0.671 0.000 0.768 47 A CB -0.119 18.246 19.000 -1.058 0.000 1.017 47 A HN 0.562 nan 8.150 nan 0.000 0.496 48 L N 4.060 125.024 121.223 -0.432 0.000 2.417 48 L HA 0.211 4.551 4.340 -0.000 0.000 0.268 48 L C -1.249 175.404 176.870 -0.362 0.000 1.158 48 L CA -1.615 52.975 54.840 -0.417 0.000 0.819 48 L CB 0.602 42.464 42.059 -0.329 0.000 1.112 48 L HN 0.510 nan 8.230 nan 0.000 0.458 49 P HA -0.260 nan 4.420 nan 0.000 0.222 49 P C 0.997 178.193 177.300 -0.173 0.000 1.157 49 P CA 1.442 64.404 63.100 -0.229 0.000 0.905 49 P CB 0.257 31.834 31.700 -0.205 0.000 0.792 50 E N -0.679 119.420 120.200 -0.169 0.000 2.038 50 E HA -0.179 4.171 4.350 -0.000 0.000 0.195 50 E C 1.841 178.353 176.600 -0.147 0.000 1.000 50 E CA 1.415 57.740 56.400 -0.124 0.000 0.803 50 E CB -1.026 28.614 29.700 -0.099 0.000 0.750 50 E HN 0.339 nan 8.360 nan 0.000 0.448 51 D N 0.483 120.759 120.400 -0.207 0.000 2.158 51 D HA -0.108 4.532 4.640 -0.000 0.000 0.197 51 D C 0.878 177.002 176.300 -0.293 0.000 0.995 51 D CA 0.662 54.494 54.000 -0.280 0.000 0.846 51 D CB -0.311 40.206 40.800 -0.471 0.000 0.941 51 D HN 0.029 nan 8.370 nan 0.000 0.456 55 I N 0.039 120.415 120.570 -0.324 0.000 2.480 55 I HA 0.129 4.299 4.170 -0.000 0.000 0.251 55 I C 0.126 175.911 176.117 -0.554 0.000 1.124 55 I CA 0.864 61.830 61.300 -0.556 0.000 1.444 55 I CB 0.027 37.506 38.000 -0.868 0.000 1.098 55 I HN 0.256 nan 8.210 nan 0.000 0.428 56 F N 0.975 120.887 119.950 -0.063 0.000 2.404 56 F HA 0.293 4.820 4.527 -0.000 0.000 0.339 56 F C -1.330 174.466 175.800 -0.006 0.000 1.105 56 F CA -2.138 55.851 58.000 -0.018 0.000 1.087 56 F CB -0.007 38.986 39.000 -0.011 0.000 1.143 56 F HN -0.246 nan 8.300 nan 0.000 0.491 57 P HA -0.182 nan 4.420 nan 0.000 0.202 57 P C -0.170 177.194 177.300 0.107 0.000 1.149 57 P CA 0.975 64.139 63.100 0.107 0.000 0.931 57 P CB 0.109 31.869 31.700 0.100 0.000 0.762 58 K N 0.606 121.072 120.400 0.111 0.000 2.378 58 K HA 0.220 4.540 4.320 -0.000 0.000 0.288 58 K C -0.582 176.066 176.600 0.080 0.000 1.057 58 K CA 0.476 56.809 56.287 0.077 0.000 0.971 58 K CB -0.591 31.942 32.500 0.056 0.000 0.975 58 K HN 0.072 nan 8.250 nan 0.000 0.475 59 T N 4.271 118.859 114.554 0.056 0.000 2.930 59 T HA 0.610 4.960 4.350 -0.000 0.000 0.290 59 T C -0.318 174.393 174.700 0.018 0.000 1.052 59 T CA -0.720 61.404 62.100 0.041 0.000 1.017 59 T CB 0.892 69.788 68.868 0.045 0.000 1.137 59 T HN 0.447 nan 8.240 nan 0.000 0.511 60 I N 1.720 122.295 120.570 0.008 0.000 2.603 60 I HA 0.161 4.331 4.170 -0.000 0.000 0.276 60 I C -0.521 175.598 176.117 0.004 0.000 1.133 60 I CA -0.719 60.583 61.300 0.004 0.000 1.070 60 I CB 1.396 39.395 38.000 -0.001 0.000 1.215 60 I HN 0.605 nan 8.210 nan 0.000 0.487 61 D N 4.649 125.050 120.400 0.002 0.000 2.502 61 D HA 0.013 4.653 4.640 -0.000 0.000 0.249 61 D C 0.686 176.993 176.300 0.013 0.000 1.188 61 D CA 0.580 54.581 54.000 0.002 0.000 0.890 61 D CB 1.558 42.354 40.800 -0.006 0.000 1.140 61 D HN 0.246 nan 8.370 nan 0.000 0.505 62 V N 3.151 123.081 119.914 0.028 0.000 2.908 62 V HA 0.271 4.390 4.120 -0.000 0.000 0.240 62 V C 1.327 177.471 176.094 0.083 0.000 1.117 62 V CA 0.794 63.125 62.300 0.051 0.000 1.133 62 V CB 0.649 32.508 31.823 0.060 0.000 0.857 62 V HN 0.750 nan 8.190 nan 0.000 0.478 63 G N 0.192 109.042 108.800 0.084 0.000 4.341 63 G HA2 0.219 4.179 3.960 -0.000 0.000 0.252 63 G HA3 0.219 4.179 3.960 -0.000 0.000 0.252 63 G C 0.571 175.427 174.900 -0.074 0.000 2.181 63 G CA 0.506 45.625 45.100 0.031 0.000 0.602 63 G HN 0.227 nan 8.290 nan 0.000 0.346 64 S N 0.714 116.374 115.700 -0.068 0.000 2.493 64 S HA -0.144 4.326 4.470 -0.000 0.000 0.243 64 S C 2.176 176.744 174.600 -0.054 0.000 0.991 64 S CA 1.162 59.330 58.200 -0.054 0.000 0.957 64 S CB -0.074 63.095 63.200 -0.051 0.000 0.756 64 S HN 0.499 nan 8.310 nan 0.000 0.521 65 K N 1.723 121.994 120.400 -0.215 0.000 2.148 65 K HA -0.111 4.209 4.320 -0.000 0.000 0.204 65 K C 0.745 177.257 176.600 -0.147 0.000 1.050 65 K CA 1.520 57.674 56.287 -0.221 0.000 0.942 65 K CB -0.735 31.564 32.500 -0.334 0.000 0.724 65 K HN 0.833 nan 8.250 nan 0.000 0.446 66 H N -1.465 117.702 119.070 0.162 0.000 2.581 66 H HA 0.439 4.995 4.556 -0.000 0.000 0.275 66 H C 0.732 176.217 175.328 0.262 0.000 1.126 66 H CA -0.113 56.043 56.048 0.180 0.000 1.097 66 H CB 0.612 30.433 29.762 0.098 0.000 1.626 66 H HN 0.344 nan 8.280 nan 0.000 0.565 67 G N 0.388 109.388 108.800 0.333 0.000 2.132 67 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.234 67 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.234 67 G C 0.061 175.029 174.900 0.114 0.000 0.989 67 G CA 0.253 45.476 45.100 0.204 0.000 0.676 67 G HN 0.490 nan 8.290 nan 0.000 0.522 68 T N 0.032 114.675 114.554 0.148 0.000 2.824 68 T HA 0.656 5.006 4.350 -0.000 0.000 0.280 68 T C -0.305 174.428 174.700 0.054 0.000 0.995 68 T CA -0.271 61.895 62.100 0.110 0.000 1.009 68 T CB 2.471 71.434 68.868 0.159 0.000 0.955 68 T HN 0.642 nan 8.240 nan 0.000 0.452 69 V N 3.527 123.454 119.914 0.022 0.000 2.777 69 V HA 0.387 4.507 4.120 -0.000 0.000 0.306 69 V C -0.406 175.685 176.094 -0.004 0.000 1.112 69 V CA -0.865 61.435 62.300 0.001 0.000 0.917 69 V CB 2.244 34.052 31.823 -0.026 0.000 1.018 69 V HN 0.654 nan 8.190 nan 0.000 0.426 70 V N 5.414 125.327 119.914 -0.001 0.000 2.432 70 V HA 0.408 4.528 4.120 -0.000 0.000 0.275 70 V C -0.194 175.885 176.094 -0.025 0.000 1.043 70 V CA -0.171 62.124 62.300 -0.008 0.000 0.925 70 V CB 1.846 33.665 31.823 -0.006 0.000 0.985 70 V HN 0.635 nan 8.190 nan 0.000 0.466 71 V N 6.639 126.527 119.914 -0.045 0.000 2.334 71 V HA 0.314 4.434 4.120 -0.000 0.000 0.281 71 V C -0.046 176.046 176.094 -0.004 0.000 1.016 71 V CA -0.678 61.565 62.300 -0.096 0.000 0.832 71 V CB 1.737 33.347 31.823 -0.355 0.000 0.999 71 V HN 0.582 nan 8.190 nan 0.000 0.439 72 V N 5.073 124.996 119.914 0.016 0.000 2.387 72 V HA 0.219 4.339 4.120 -0.000 0.000 0.260 72 V C -0.017 176.156 176.094 0.131 0.000 1.054 72 V CA -0.202 62.125 62.300 0.045 0.000 0.967 72 V CB 0.008 31.840 31.823 0.015 0.000 1.036 72 V HN 0.910 nan 8.190 nan 0.000 0.481 73 H N 4.854 123.983 119.070 0.098 0.000 2.466 73 H HA 0.379 4.935 4.556 -0.000 0.000 0.338 73 H C 0.538 175.952 175.328 0.143 0.000 1.091 73 H CA -0.970 55.152 56.048 0.125 0.000 1.207 73 H CB 0.878 30.706 29.762 0.111 0.000 1.466 73 H HN 0.586 nan 8.280 nan 0.000 0.493 74 K N 3.723 123.889 120.400 -0.391 0.000 3.003 74 K HA -0.244 4.076 4.320 -0.000 0.000 0.257 74 K C 0.627 177.153 176.600 -0.122 0.000 0.958 74 K CA 0.981 57.080 56.287 -0.313 0.000 0.707 74 K CB -1.653 30.566 32.500 -0.469 0.000 1.279 74 K HN 1.170 nan 8.250 nan 0.000 0.479 75 G N -0.082 108.678 108.800 -0.067 0.000 2.147 75 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.244 75 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.244 75 G C -0.277 174.574 174.900 -0.081 0.000 1.005 75 G CA 0.769 45.835 45.100 -0.057 0.000 0.713 75 G HN 0.361 nan 8.290 nan 0.000 0.515 76 K N -0.476 119.862 120.400 -0.104 0.000 2.469 76 K HA 0.729 5.049 4.320 -0.000 0.000 0.254 76 K C -0.019 176.340 176.600 -0.402 0.000 0.939 76 K CA -0.375 55.746 56.287 -0.277 0.000 0.812 76 K CB 2.320 34.590 32.500 -0.383 0.000 1.301 76 K HN 0.617 nan 8.250 nan 0.000 0.433 77 A N 2.359 124.920 122.820 -0.431 0.000 2.409 77 A HA 0.445 4.764 4.320 -0.000 0.000 0.262 77 A C -1.229 176.045 177.584 -0.516 0.000 1.113 77 A CA 0.140 51.978 52.037 -0.332 0.000 0.790 77 A CB -0.189 18.692 19.000 -0.199 0.000 1.046 77 A HN 0.632 nan 8.150 nan 0.000 0.496 78 Y N 0.303 120.572 120.300 -0.052 0.000 2.373 78 Y HA 0.335 4.885 4.550 -0.000 0.000 0.336 78 Y C 0.206 176.073 175.900 -0.054 0.000 0.979 78 Y CA -0.542 57.527 58.100 -0.051 0.000 1.080 78 Y CB 2.042 40.468 38.460 -0.058 0.000 1.190 78 Y HN 0.795 nan 8.280 nan 0.000 0.446 79 E N 3.140 123.419 120.200 0.131 0.000 1.865 79 E HA 0.311 4.661 4.350 -0.000 0.000 0.269 79 E C -1.132 175.514 176.600 0.076 0.000 1.177 79 E CA -0.244 56.203 56.400 0.078 0.000 0.932 79 E CB 0.356 30.098 29.700 0.069 0.000 1.066 79 E HN 0.381 nan 8.360 nan 0.000 0.405 80 V N 3.901 123.832 119.914 0.028 0.000 2.607 80 V HA 0.292 4.412 4.120 -0.000 0.000 0.289 80 V C 0.222 176.324 176.094 0.013 0.000 1.053 80 V CA -0.217 62.083 62.300 0.001 0.000 0.996 80 V CB 1.794 33.571 31.823 -0.076 0.000 0.995 80 V HN 0.629 nan 8.190 nan 0.000 0.476 81 T N 2.505 117.076 114.554 0.028 0.000 2.991 81 T HA 0.274 4.624 4.350 -0.000 0.000 0.303 81 T C -0.177 174.531 174.700 0.012 0.000 1.015 81 T CA -0.463 61.670 62.100 0.054 0.000 1.007 81 T CB 1.404 70.350 68.868 0.128 0.000 1.034 81 T HN 0.677 nan 8.240 nan 0.000 0.446 82 T N 4.052 118.572 114.554 -0.057 0.000 2.870 82 T HA 0.288 4.638 4.350 -0.000 0.000 0.300 82 T C 0.554 175.340 174.700 0.143 0.000 0.989 82 T CA -0.159 61.852 62.100 -0.149 0.000 1.139 82 T CB -0.209 68.441 68.868 -0.364 0.000 0.920 82 T HN 0.380 nan 8.240 nan 0.000 0.537 83 F N 3.268 123.290 119.950 0.120 0.000 2.642 83 F HA 0.083 4.610 4.527 0.000 0.000 0.371 83 F C 1.309 177.245 175.800 0.226 0.000 1.120 83 F CA -0.063 58.031 58.000 0.156 0.000 1.331 83 F CB 0.342 39.428 39.000 0.144 0.000 1.044 83 F HN 0.491 nan 8.300 nan 0.000 0.594 84 K N 0.188 120.810 120.400 0.371 0.000 2.556 84 K HA 0.581 4.901 4.320 -0.000 0.000 0.274 84 K C -1.592 175.083 176.600 0.125 0.000 0.966 84 K CA -1.110 55.328 56.287 0.252 0.000 0.865 84 K CB 1.981 34.630 32.500 0.248 0.000 1.444 84 K HN 0.295 nan 8.250 nan 0.000 0.433 85 T N 1.577 116.168 114.554 0.062 0.000 2.864 85 T HA 0.172 4.522 4.350 -0.000 0.000 0.310 85 T C -1.142 173.552 174.700 -0.009 0.000 1.040 85 T CA -0.720 61.391 62.100 0.019 0.000 0.977 85 T CB 0.530 69.406 68.868 0.015 0.000 0.976 85 T HN 0.450 nan 8.240 nan 0.000 0.459 86 D N 3.432 123.826 120.400 -0.010 0.000 2.554 86 D HA 0.075 4.715 4.640 -0.000 0.000 0.251 86 D C 1.185 177.469 176.300 -0.028 0.000 1.213 86 D CA 0.530 54.519 54.000 -0.018 0.000 0.900 86 D CB 0.662 41.449 40.800 -0.022 0.000 1.135 86 D HN 0.640 nan 8.370 nan 0.000 0.522 98 V N 1.034 120.859 119.914 -0.148 0.000 2.715 98 V HA 0.756 4.876 4.120 -0.000 0.000 0.310 98 V C -0.168 175.671 176.094 -0.426 0.000 1.054 98 V CA -0.575 61.593 62.300 -0.219 0.000 0.928 98 V CB 2.016 33.743 31.823 -0.159 0.000 1.007 98 V HN 1.023 nan 8.190 nan 0.000 0.437 99 T N 3.956 118.315 114.554 -0.324 0.000 2.770 99 T HA 0.604 4.954 4.350 -0.000 0.000 0.283 99 T C -0.514 174.055 174.700 -0.218 0.000 0.988 99 T CA -0.043 61.874 62.100 -0.306 0.000 0.957 99 T CB 0.316 69.115 68.868 -0.114 0.000 0.930 99 T HN 0.314 nan 8.240 nan 0.000 0.443 100 F N 2.778 122.767 119.950 0.064 0.000 2.396 100 F HA 0.550 5.077 4.527 -0.000 0.000 0.343 100 F C 0.967 176.828 175.800 0.101 0.000 1.104 100 F CA -0.851 57.199 58.000 0.084 0.000 1.161 100 F CB 0.752 39.785 39.000 0.055 0.000 1.146 100 F HN 0.344 nan 8.300 nan 0.000 0.522 101 V N 1.074 121.193 119.914 0.341 0.000 3.271 101 V HA 0.604 4.724 4.120 -0.000 0.000 0.305 101 V C 0.160 176.448 176.094 0.323 0.000 1.303 101 V CA -1.040 61.422 62.300 0.271 0.000 1.038 101 V CB 2.091 34.042 31.823 0.213 0.000 1.197 101 V HN 0.787 nan 8.190 nan 0.000 0.478 102 R N -0.649 120.038 120.500 0.313 0.000 2.531 102 R HA 0.368 4.708 4.340 -0.000 0.000 0.316 102 R C 0.541 177.097 176.300 0.428 0.000 0.955 102 R CA 0.266 56.587 56.100 0.368 0.000 1.120 102 R CB 1.062 31.493 30.300 0.218 0.000 1.361 102 R HN 0.678 nan 8.270 nan 0.000 0.534 103 S N 1.281 117.149 115.700 0.280 0.000 2.410 103 S HA 0.108 4.578 4.470 -0.000 0.000 0.304 103 S C 1.022 175.499 174.600 -0.204 0.000 1.095 103 S CA -0.528 57.727 58.200 0.091 0.000 1.089 103 S CB 0.827 64.060 63.200 0.056 0.000 0.968 103 S HN 0.255 nan 8.310 nan 0.000 0.480 104 L N 5.611 126.598 121.223 -0.392 0.000 1.990 104 L HA -0.082 4.258 4.340 -0.000 0.000 0.213 104 L C 2.273 178.896 176.870 -0.412 0.000 1.072 104 L CA 2.164 56.519 54.840 -0.807 0.000 0.755 104 L CB -0.783 40.993 42.059 -0.471 0.000 0.889 104 L HN 0.869 nan 8.230 nan 0.000 0.432 105 E N -0.740 119.351 120.200 -0.181 0.000 2.114 105 E HA -0.277 4.073 4.350 -0.000 0.000 0.199 105 E C 2.041 178.645 176.600 0.007 0.000 1.008 105 E CA 1.520 57.906 56.400 -0.024 0.000 0.810 105 E CB -0.046 29.657 29.700 0.006 0.000 0.739 105 E HN 0.543 nan 8.360 nan 0.000 0.456 106 E N 0.536 120.715 120.200 -0.036 0.000 2.204 106 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 106 E C 1.659 178.235 176.600 -0.040 0.000 0.989 106 E CA 0.743 57.139 56.400 -0.006 0.000 0.824 106 E CB -0.128 29.587 29.700 0.025 0.000 0.756 106 E HN 0.290 nan 8.360 nan 0.000 0.477 107 D N 0.636 120.966 120.400 -0.116 0.000 2.084 107 D HA -0.101 4.539 4.640 -0.000 0.000 0.199 107 D C 2.210 178.446 176.300 -0.108 0.000 0.981 107 D CA 0.842 54.788 54.000 -0.090 0.000 0.841 107 D CB -0.242 40.459 40.800 -0.166 0.000 0.997 107 D HN 0.102 nan 8.370 nan 0.000 0.454 108 L N 0.253 121.388 121.223 -0.145 0.000 2.081 108 L HA -0.166 4.174 4.340 -0.000 0.000 0.212 108 L C 2.640 179.277 176.870 -0.389 0.000 1.080 108 L CA 1.158 55.883 54.840 -0.191 0.000 0.754 108 L CB -0.721 41.274 42.059 -0.107 0.000 0.893 108 L HN 0.091 nan 8.230 nan 0.000 0.433 109 K N 1.064 121.259 120.400 -0.342 0.000 2.360 109 K HA -0.171 4.149 4.320 -0.000 0.000 0.201 109 K C 2.161 178.590 176.600 -0.286 0.000 1.046 109 K CA 0.989 57.023 56.287 -0.423 0.000 0.945 109 K CB 0.045 32.500 32.500 -0.074 0.000 0.750 109 K HN 0.425 nan 8.250 nan 0.000 0.464 110 R N -0.264 120.121 120.500 -0.192 0.000 2.300 110 R HA 0.086 4.426 4.340 -0.000 0.000 0.199 110 R C 0.056 176.267 176.300 -0.148 0.000 0.920 110 R CA -0.318 55.701 56.100 -0.135 0.000 1.046 110 R CB 0.167 30.429 30.300 -0.063 0.000 0.984 110 R HN -0.161 nan 8.270 nan 0.000 0.493 111 R N 2.186 122.573 120.500 -0.189 0.000 2.679 111 R HA 0.013 4.353 4.340 -0.000 0.000 0.269 111 R C 0.611 176.787 176.300 -0.206 0.000 1.076 111 R CA -0.071 55.940 56.100 -0.149 0.000 1.160 111 R CB 0.375 30.594 30.300 -0.134 0.000 1.054 111 R HN 0.330 nan 8.270 nan 0.000 0.507 112 D N 0.233 120.528 120.400 -0.176 0.000 2.084 112 D HA -0.099 4.541 4.640 -0.000 0.000 0.196 112 D C -0.007 175.843 176.300 -0.750 0.000 0.985 112 D CA 1.369 55.110 54.000 -0.431 0.000 0.826 112 D CB -0.159 40.479 40.800 -0.270 0.000 0.978 112 D HN 0.338 nan 8.370 nan 0.000 0.456 113 F N -0.280 119.603 119.950 -0.112 0.000 2.588 113 F HA 0.403 4.930 4.527 -0.000 0.000 0.314 113 F C 0.782 176.504 175.800 -0.130 0.000 1.069 113 F CA -1.448 56.474 58.000 -0.129 0.000 0.931 113 F CB 1.310 40.197 39.000 -0.188 0.000 1.260 113 F HN -0.204 nan 8.300 nan 0.000 0.465 117 A N 0.777 123.594 122.820 -0.005 0.000 2.503 117 A HA 0.422 4.742 4.320 -0.000 0.000 0.263 117 A C 0.149 177.754 177.584 0.035 0.000 1.360 117 A CA 0.000 52.014 52.037 -0.040 0.000 0.969 117 A CB -0.939 17.942 19.000 -0.199 0.000 1.000 117 A HN 0.137 nan 8.150 nan 0.000 0.530 118 I N -0.808 119.799 120.570 0.062 0.000 2.934 118 I HA 0.695 4.865 4.170 -0.000 0.000 0.315 118 I C 0.651 176.815 176.117 0.077 0.000 0.997 118 I CA -0.011 61.334 61.300 0.075 0.000 1.184 118 I CB 1.273 39.320 38.000 0.077 0.000 1.400 118 I HN 0.230 nan 8.210 nan 0.000 0.549 122 E N -0.374 119.722 120.200 -0.173 0.000 2.253 122 E HA -0.295 4.055 4.350 -0.000 0.000 0.202 122 E C 0.315 176.731 176.600 -0.307 0.000 1.014 122 E CA 1.441 57.635 56.400 -0.343 0.000 0.823 122 E CB -0.250 29.090 29.700 -0.600 0.000 0.736 122 E HN 0.593 nan 8.360 nan 0.000 0.478 123 Y N -0.989 119.351 120.300 0.065 0.000 2.466 123 Y HA 0.278 4.828 4.550 -0.000 0.000 0.272 123 Y C 1.582 177.517 175.900 0.058 0.000 1.169 123 Y CA 0.196 58.330 58.100 0.057 0.000 1.285 123 Y CB 0.989 39.476 38.460 0.045 0.000 1.078 123 Y HN 0.212 nan 8.280 nan 0.000 0.523 124 G N 0.592 109.494 108.800 0.171 0.000 2.132 124 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.228 124 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.228 124 G C -0.138 174.818 174.900 0.094 0.000 1.000 124 G CA 0.153 45.315 45.100 0.103 0.000 0.693 124 G HN 0.241 nan 8.290 nan 0.000 0.515 125 T N 2.286 116.923 114.554 0.138 0.000 2.762 125 T HA 0.554 4.904 4.350 -0.000 0.000 0.303 125 T C 0.876 175.623 174.700 0.078 0.000 0.977 125 T CA -0.591 61.572 62.100 0.103 0.000 0.961 125 T CB 1.351 70.292 68.868 0.123 0.000 0.944 125 T HN 0.237 nan 8.240 nan 0.000 0.481 126 I N 3.764 124.360 120.570 0.044 0.000 2.683 126 I HA 0.101 4.270 4.170 -0.000 0.000 0.286 126 I C 0.554 176.678 176.117 0.011 0.000 1.175 126 I CA -0.416 60.901 61.300 0.028 0.000 1.429 126 I CB -0.331 37.680 38.000 0.018 0.000 1.371 126 I HN 0.654 nan 8.210 nan 0.000 0.569 127 I N 5.323 125.889 120.570 -0.006 0.000 2.555 127 I HA 0.134 4.304 4.170 -0.000 0.000 0.275 127 I C -0.354 175.756 176.117 -0.011 0.000 1.082 127 I CA -0.349 60.926 61.300 -0.041 0.000 1.167 127 I CB 0.898 38.822 38.000 -0.127 0.000 1.312 127 I HN 0.440 nan 8.210 nan 0.000 0.493 128 D N 7.903 128.303 120.400 0.001 0.000 2.473 128 D HA 0.363 5.003 4.640 -0.000 0.000 0.226 128 D C -1.792 174.497 176.300 -0.018 0.000 1.089 128 D CA -1.859 52.161 54.000 0.033 0.000 0.883 128 D CB 1.409 42.233 40.800 0.039 0.000 1.029 128 D HN 0.181 nan 8.370 nan 0.000 0.517 129 P HA 0.259 nan 4.420 nan 0.000 0.268 129 P C -0.148 176.758 177.300 -0.657 0.000 1.329 129 P CA -0.004 62.897 63.100 -0.332 0.000 0.899 129 P CB 0.141 31.599 31.700 -0.404 0.000 1.378 130 F N -1.436 118.495 119.950 -0.033 0.000 2.838 130 F HA 0.434 4.961 4.527 -0.000 0.000 0.329 130 F C 1.607 177.397 175.800 -0.017 0.000 1.116 130 F CA 0.195 58.178 58.000 -0.028 0.000 1.155 130 F CB 0.333 39.315 39.000 -0.031 0.000 1.106 130 F HN 0.019 nan 8.300 nan 0.000 0.538 131 G N 0.314 109.176 108.800 0.104 0.000 2.175 131 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.244 131 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.244 131 G C 1.505 176.450 174.900 0.075 0.000 0.982 131 G CA 0.219 45.358 45.100 0.064 0.000 0.641 131 G HN 0.638 nan 8.290 nan 0.000 0.527 132 G N 0.517 109.381 108.800 0.106 0.000 2.649 132 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.220 132 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.220 132 G C 1.572 176.517 174.900 0.074 0.000 1.189 132 G CA 2.046 47.202 45.100 0.093 0.000 0.777 132 G HN 0.785 nan 8.290 nan 0.000 0.602 133 R N -0.123 120.412 120.500 0.059 0.000 2.103 133 R HA -0.112 4.228 4.340 -0.000 0.000 0.242 133 R C 2.551 178.866 176.300 0.026 0.000 1.142 133 R CA 1.698 57.823 56.100 0.042 0.000 0.960 133 R CB -0.202 30.115 30.300 0.029 0.000 0.858 133 R HN 0.334 nan 8.270 nan 0.000 0.439 134 E N -0.047 120.163 120.200 0.016 0.000 2.072 134 E HA -0.145 4.205 4.350 -0.000 0.000 0.191 134 E C 1.863 178.453 176.600 -0.018 0.000 0.985 134 E CA 1.240 57.638 56.400 -0.004 0.000 0.801 134 E CB -0.201 29.497 29.700 -0.005 0.000 0.750 134 E HN 0.450 nan 8.360 nan 0.000 0.452 135 A N 1.060 123.884 122.820 0.006 0.000 1.948 135 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 135 A C 2.295 179.847 177.584 -0.053 0.000 1.177 135 A CA 1.309 53.344 52.037 -0.004 0.000 0.636 135 A CB -0.608 18.430 19.000 0.064 0.000 0.815 135 A HN 0.226 nan 8.150 nan 0.000 0.449 136 I N -1.624 118.959 120.570 0.022 0.000 2.286 136 I HA -0.180 3.989 4.170 -0.000 0.000 0.245 136 I C 2.694 178.761 176.117 -0.083 0.000 1.104 136 I CA 1.206 62.535 61.300 0.048 0.000 1.397 136 I CB -0.316 37.772 38.000 0.148 0.000 1.072 136 I HN 0.368 nan 8.210 nan 0.000 0.417 137 R N 1.066 121.532 120.500 -0.056 0.000 2.094 137 R HA -0.178 4.162 4.340 -0.000 0.000 0.239 137 R C 2.280 178.499 176.300 -0.136 0.000 1.137 137 R CA 1.610 57.668 56.100 -0.070 0.000 0.943 137 R CB -0.110 30.165 30.300 -0.041 0.000 0.850 137 R HN 0.232 nan 8.270 nan 0.000 0.433 138 R N 0.328 120.730 120.500 -0.162 0.000 2.307 138 R HA 0.065 4.405 4.340 -0.000 0.000 0.199 138 R C 0.025 176.115 176.300 -0.350 0.000 1.000 138 R CA 0.188 56.173 56.100 -0.192 0.000 1.023 138 R CB 0.060 30.280 30.300 -0.133 0.000 0.908 138 R HN 0.279 nan 8.270 nan 0.000 0.473 139 R N 0.490 120.624 120.500 -0.611 0.000 3.152 139 R HA -0.146 4.194 4.340 -0.000 0.000 0.252 139 R C -0.851 174.803 176.300 -1.075 0.000 0.930 139 R CA 0.637 55.923 56.100 -1.358 0.000 0.642 139 R CB -1.921 27.865 30.300 -0.857 0.000 1.205 139 R HN 0.217 nan 8.270 nan 0.000 0.452 140 I N 1.038 121.208 120.570 -0.666 0.000 2.686 140 I HA 0.395 4.565 4.170 -0.000 0.000 0.295 140 I C 0.496 176.701 176.117 0.146 0.000 1.114 140 I CA -1.088 60.128 61.300 -0.141 0.000 1.038 140 I CB 2.430 40.371 38.000 -0.099 0.000 1.238 140 I HN 0.060 nan 8.210 nan 0.000 0.420 141 I N 5.317 125.979 120.570 0.153 0.000 2.287 141 I HA 0.354 4.524 4.170 -0.000 0.000 0.290 141 I C 0.016 176.212 176.117 0.132 0.000 1.069 141 I CA -0.190 61.159 61.300 0.081 0.000 1.237 141 I CB 0.587 38.552 38.000 -0.057 0.000 1.418 141 I HN 0.468 nan 8.210 nan 0.000 0.481 142 R N 4.150 124.756 120.500 0.175 0.000 2.670 142 R HA 0.476 4.816 4.340 -0.000 0.000 0.289 142 R C -0.542 175.894 176.300 0.227 0.000 0.965 142 R CA -0.437 55.770 56.100 0.178 0.000 0.899 142 R CB 1.642 31.998 30.300 0.094 0.000 1.173 142 R HN 0.447 nan 8.270 nan 0.000 0.456 143 T N 2.778 117.405 114.554 0.121 0.000 2.930 143 T HA 0.080 4.430 4.350 -0.000 0.000 0.306 143 T C -0.095 174.539 174.700 -0.110 0.000 1.045 143 T CA -0.298 61.749 62.100 -0.089 0.000 1.134 143 T CB 0.845 69.565 68.868 -0.248 0.000 0.961 143 T HN 0.320 nan 8.240 nan 0.000 0.545 144 V N 4.379 124.175 119.914 -0.195 0.000 2.341 144 V HA 0.493 4.613 4.120 -0.000 0.000 0.248 144 V C 1.222 177.219 176.094 -0.161 0.000 1.107 144 V CA 0.714 62.904 62.300 -0.183 0.000 1.069 144 V CB -1.148 30.486 31.823 -0.314 0.000 1.177 144 V HN 1.291 nan 8.190 nan 0.000 0.492 145 G N 4.803 113.555 108.800 -0.080 0.000 2.482 145 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.214 145 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.214 145 G C -0.247 174.588 174.900 -0.109 0.000 1.271 145 G CA -0.125 44.932 45.100 -0.071 0.000 0.944 145 G HN 0.804 nan 8.290 nan 0.000 0.568 146 E N 1.522 121.652 120.200 -0.117 0.000 2.159 146 E HA 0.582 4.932 4.350 -0.000 0.000 0.272 146 E C 1.534 177.993 176.600 -0.235 0.000 1.138 146 E CA 1.364 57.684 56.400 -0.134 0.000 0.915 146 E CB 0.470 30.110 29.700 -0.099 0.000 1.028 146 E HN 1.455 nan 8.360 nan 0.000 0.423 147 A N 5.394 128.051 122.820 -0.272 0.000 1.940 147 A HA -0.322 3.998 4.320 -0.000 0.000 0.221 147 A C 1.846 179.045 177.584 -0.643 0.000 1.190 147 A CA 2.099 53.834 52.037 -0.503 0.000 0.647 147 A CB -0.458 18.358 19.000 -0.308 0.000 0.821 147 A HN 0.788 nan 8.150 nan 0.000 0.457 148 E N -0.884 119.147 120.200 -0.283 0.000 2.007 148 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 148 E C 2.202 178.727 176.600 -0.124 0.000 0.999 148 E CA 1.388 57.708 56.400 -0.133 0.000 0.811 148 E CB -0.241 29.429 29.700 -0.050 0.000 0.762 148 E HN 0.671 nan 8.360 nan 0.000 0.450 149 K N 0.622 120.948 120.400 -0.124 0.000 2.074 149 K HA -0.223 4.097 4.320 -0.000 0.000 0.209 149 K C 2.202 178.742 176.600 -0.101 0.000 1.048 149 K CA 1.323 57.556 56.287 -0.090 0.000 0.926 149 K CB 0.103 32.552 32.500 -0.084 0.000 0.713 149 K HN -0.090 nan 8.250 nan 0.000 0.444 150 R N 0.268 120.653 120.500 -0.192 0.000 2.080 150 R HA -0.134 4.206 4.340 -0.000 0.000 0.236 150 R C 2.276 178.569 176.300 -0.012 0.000 1.137 150 R CA 1.713 57.704 56.100 -0.181 0.000 0.943 150 R CB -1.279 28.812 30.300 -0.348 0.000 0.846 150 R HN 0.381 nan 8.270 nan 0.000 0.431 151 F N 1.133 121.045 119.950 -0.064 0.000 2.202 151 F HA -0.171 4.356 4.527 -0.000 0.000 0.301 151 F C 2.550 178.323 175.800 -0.044 0.000 1.082 151 F CA 0.558 58.532 58.000 -0.043 0.000 1.313 151 F CB -0.142 38.846 39.000 -0.021 0.000 1.024 151 F HN 0.060 nan 8.300 nan 0.000 0.495 152 R N 0.759 121.334 120.500 0.126 0.000 2.075 152 R HA -0.149 4.190 4.340 -0.000 0.000 0.232 152 R C 1.927 178.234 176.300 0.011 0.000 1.126 152 R CA 1.718 57.844 56.100 0.043 0.000 0.963 152 R CB -0.563 29.742 30.300 0.009 0.000 0.858 152 R HN 0.439 nan 8.270 nan 0.000 0.435 153 E N 0.400 120.603 120.200 0.006 0.000 2.051 153 E HA -0.145 4.205 4.350 -0.000 0.000 0.192 153 E C 0.229 176.830 176.600 0.002 0.000 0.991 153 E CA 0.890 57.285 56.400 -0.010 0.000 0.799 153 E CB 0.010 29.696 29.700 -0.023 0.000 0.748 153 E HN 0.097 nan 8.360 nan 0.000 0.449 154 D N -1.596 118.823 120.400 0.033 0.000 2.479 154 D HA 0.310 4.950 4.640 -0.000 0.000 0.246 154 D C -0.127 176.213 176.300 0.067 0.000 1.336 154 D CA -0.195 53.827 54.000 0.038 0.000 0.967 154 D CB 1.415 42.233 40.800 0.030 0.000 1.275 154 D HN 0.007 nan 8.370 nan 0.000 0.577 155 A N 3.326 126.163 122.820 0.029 0.000 2.015 155 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 155 A C 1.927 179.479 177.584 -0.054 0.000 1.163 155 A CA 0.786 52.810 52.037 -0.022 0.000 0.646 155 A CB -0.337 18.641 19.000 -0.037 0.000 0.806 155 A HN 0.568 nan 8.150 nan 0.000 0.448 156 L N 0.128 121.350 121.223 -0.000 0.000 2.187 156 L HA -0.112 4.228 4.340 -0.000 0.000 0.213 156 L C 1.560 178.461 176.870 0.052 0.000 1.100 156 L CA 1.006 55.856 54.840 0.016 0.000 0.765 156 L CB -0.467 41.613 42.059 0.035 0.000 0.904 156 L HN 0.319 nan 8.230 nan 0.000 0.437 161 A N 1.472 124.425 122.820 0.223 0.000 1.869 161 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 161 A C 2.040 179.649 177.584 0.041 0.000 1.203 161 A CA 2.513 54.587 52.037 0.062 0.000 0.638 161 A CB -0.894 18.247 19.000 0.236 0.000 0.831 161 A HN 0.069 nan 8.150 nan 0.000 0.450 162 V N 0.645 120.576 119.914 0.028 0.000 2.332 162 V HA -0.317 3.803 4.120 -0.000 0.000 0.248 162 V C 2.657 178.723 176.094 -0.047 0.000 1.055 162 V CA 2.477 64.775 62.300 -0.004 0.000 1.038 162 V CB -1.095 30.721 31.823 -0.012 0.000 0.651 162 V HN 0.757 nan 8.190 nan 0.000 0.450 163 R N 0.087 120.525 120.500 -0.104 0.000 2.097 163 R HA -0.225 4.115 4.340 -0.000 0.000 0.236 163 R C 2.317 178.490 176.300 -0.211 0.000 1.135 163 R CA 2.386 58.361 56.100 -0.208 0.000 0.934 163 R CB -0.648 29.457 30.300 -0.326 0.000 0.846 163 R HN 0.407 nan 8.270 nan 0.000 0.431 164 F N 1.021 120.871 119.950 -0.167 0.000 2.120 164 F HA -0.256 4.271 4.527 -0.000 0.000 0.300 164 F C 2.505 178.201 175.800 -0.173 0.000 1.095 164 F CA 1.583 59.450 58.000 -0.222 0.000 1.249 164 F CB -0.423 38.360 39.000 -0.363 0.000 0.995 164 F HN -0.103 nan 8.300 nan 0.000 0.480 165 V N -1.220 118.729 119.914 0.059 0.000 2.317 165 V HA -0.377 3.743 4.120 -0.000 0.000 0.251 165 V C 2.409 178.535 176.094 0.053 0.000 1.065 165 V CA 2.153 64.472 62.300 0.031 0.000 1.049 165 V CB -1.200 30.635 31.823 0.020 0.000 0.651 165 V HN 0.396 nan 8.190 nan 0.000 0.450 166 S N -0.873 114.846 115.700 0.032 0.000 2.383 166 S HA -0.184 4.286 4.470 -0.000 0.000 0.227 166 S C 1.945 176.631 174.600 0.143 0.000 1.026 166 S CA 1.713 59.954 58.200 0.068 0.000 0.981 166 S CB -0.178 62.980 63.200 -0.070 0.000 0.818 166 S HN 0.764 nan 8.310 nan 0.000 0.472 167 E N -0.315 119.919 120.200 0.056 0.000 2.318 167 E HA 0.149 4.499 4.350 -0.000 0.000 0.193 167 E C 1.640 178.328 176.600 0.146 0.000 0.998 167 E CA 0.464 56.896 56.400 0.052 0.000 0.859 167 E CB 0.176 29.844 29.700 -0.054 0.000 0.812 167 E HN 0.447 nan 8.360 nan 0.000 0.492 168 L N -1.350 119.946 121.223 0.121 0.000 2.547 168 L HA 0.275 4.615 4.340 -0.000 0.000 0.218 168 L C 1.290 178.219 176.870 0.098 0.000 1.048 168 L CA 0.435 55.295 54.840 0.034 0.000 0.859 168 L CB 0.513 42.306 42.059 -0.444 0.000 1.128 168 L HN 0.220 nan 8.230 nan 0.000 0.483 169 G N 0.699 109.400 108.800 -0.166 0.000 2.149 169 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.235 169 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.235 169 G C 0.084 174.876 174.900 -0.180 0.000 1.018 169 G CA -0.290 44.283 45.100 -0.880 0.000 0.728 169 G HN 0.154 nan 8.290 nan 0.000 0.508 170 F N 0.457 120.260 119.950 -0.245 0.000 2.378 170 F HA 0.593 5.120 4.527 -0.000 0.000 0.319 170 F C 1.011 176.726 175.800 -0.142 0.000 1.155 170 F CA -0.439 57.466 58.000 -0.158 0.000 1.157 170 F CB 1.187 40.121 39.000 -0.109 0.000 1.252 170 F HN 0.304 nan 8.300 nan 0.000 0.550 171 A N 2.369 125.208 122.820 0.032 0.000 2.320 171 A HA 0.620 4.940 4.320 -0.000 0.000 0.334 171 A C -0.612 176.997 177.584 0.041 0.000 1.147 171 A CA -0.718 51.324 52.037 0.008 0.000 0.820 171 A CB 0.791 19.772 19.000 -0.032 0.000 1.218 171 A HN 0.712 nan 8.150 nan 0.000 0.482 172 L N 0.877 122.127 121.223 0.046 0.000 2.473 172 L HA 0.333 4.673 4.340 -0.000 0.000 0.268 172 L C 1.017 177.923 176.870 0.059 0.000 1.215 172 L CA -0.262 54.619 54.840 0.069 0.000 0.823 172 L CB 0.697 42.807 42.059 0.084 0.000 1.099 172 L HN 0.824 nan 8.230 nan 0.000 0.483 173 A N 2.862 125.730 122.820 0.080 0.000 2.331 173 A HA 0.412 4.732 4.320 -0.000 0.000 0.283 173 A C -1.691 175.930 177.584 0.062 0.000 1.142 173 A CA -1.445 50.627 52.037 0.059 0.000 0.812 173 A CB 0.554 19.593 19.000 0.064 0.000 1.074 173 A HN 0.550 nan 8.150 nan 0.000 0.497 174 P HA -0.285 nan 4.420 nan 0.000 0.218 174 P C 0.593 177.924 177.300 0.051 0.000 1.165 174 P CA 2.343 65.467 63.100 0.041 0.000 0.922 174 P CB -0.061 31.655 31.700 0.027 0.000 0.794 175 D N -2.079 118.347 120.400 0.043 0.000 2.144 175 D HA -0.127 4.513 4.640 -0.000 0.000 0.199 175 D C 1.623 177.961 176.300 0.063 0.000 0.984 175 D CA 1.461 55.485 54.000 0.040 0.000 0.834 175 D CB -1.416 39.394 40.800 0.016 0.000 0.955 175 D HN 0.133 nan 8.370 nan 0.000 0.465 176 T N 0.328 114.934 114.554 0.086 0.000 2.643 176 T HA -0.205 4.145 4.350 -0.000 0.000 0.264 176 T C 1.724 176.572 174.700 0.246 0.000 1.045 176 T CA 1.522 63.718 62.100 0.159 0.000 1.155 176 T CB -0.455 68.532 68.868 0.199 0.000 0.863 176 T HN 0.349 nan 8.240 nan 0.000 0.420 177 E N 0.630 120.937 120.200 0.177 0.000 2.048 177 E HA -0.284 4.066 4.350 -0.000 0.000 0.202 177 E C 2.421 179.105 176.600 0.141 0.000 1.021 177 E CA 1.397 57.886 56.400 0.148 0.000 0.825 177 E CB -0.105 29.653 29.700 0.097 0.000 0.756 177 E HN 0.259 nan 8.360 nan 0.000 0.454 178 Q N 0.105 119.973 119.800 0.113 0.000 1.998 178 Q HA -0.271 4.069 4.340 -0.000 0.000 0.209 178 Q C 2.238 178.314 176.000 0.127 0.000 1.002 178 Q CA 1.976 57.837 55.803 0.097 0.000 0.858 178 Q CB -0.810 27.970 28.738 0.070 0.000 0.932 178 Q HN 0.448 nan 8.270 nan 0.000 0.416 179 A N 0.868 123.784 122.820 0.159 0.000 1.915 179 A HA -0.251 4.069 4.320 -0.000 0.000 0.220 179 A C 2.216 179.977 177.584 0.295 0.000 1.198 179 A CA 1.954 54.120 52.037 0.215 0.000 0.647 179 A CB -0.997 18.118 19.000 0.191 0.000 0.825 179 A HN 0.458 nan 8.150 nan 0.000 0.456 180 I N -0.407 120.359 120.570 0.327 0.000 2.091 180 I HA -0.306 3.864 4.170 -0.000 0.000 0.239 180 I C 2.390 178.534 176.117 0.044 0.000 1.061 180 I CA 1.849 63.204 61.300 0.092 0.000 1.317 180 I CB -0.695 37.316 38.000 0.018 0.000 1.031 180 I HN 0.221 nan 8.210 nan 0.000 0.401 181 V N 0.312 120.268 119.914 0.070 0.000 2.282 181 V HA -0.349 3.771 4.120 -0.000 0.000 0.249 181 V C 2.430 178.557 176.094 0.056 0.000 1.057 181 V CA 2.008 64.344 62.300 0.060 0.000 1.032 181 V CB -0.974 30.890 31.823 0.067 0.000 0.645 181 V HN 0.495 nan 8.190 nan 0.000 0.447 182 Q N 0.102 119.944 119.800 0.069 0.000 2.124 182 Q HA -0.147 4.193 4.340 -0.000 0.000 0.202 182 Q C 1.430 177.456 176.000 0.044 0.000 0.977 182 Q CA 1.448 57.287 55.803 0.061 0.000 0.850 182 Q CB -0.149 28.631 28.738 0.070 0.000 0.901 182 Q HN 0.705 nan 8.270 nan 0.000 0.429 183 N N -0.833 117.896 118.700 0.047 0.000 2.204 183 N HA 0.184 4.924 4.740 -0.000 0.000 0.219 183 N C 0.909 176.362 175.510 -0.096 0.000 1.151 183 N CA 0.436 53.492 53.050 0.011 0.000 0.867 183 N CB 0.747 39.292 38.487 0.096 0.000 1.043 183 N HN 0.100 nan 8.380 nan 0.000 0.516 184 A N 2.843 125.591 122.820 -0.120 0.000 1.909 184 A HA -0.170 4.150 4.320 -0.000 0.000 0.221 184 A C -0.302 176.918 177.584 -0.606 0.000 1.223 184 A CA 1.759 53.651 52.037 -0.243 0.000 0.658 184 A CB -1.608 17.345 19.000 -0.078 0.000 0.831 184 A HN 0.147 nan 8.150 nan 0.000 0.462 185 P HA -0.186 nan 4.420 nan 0.000 0.217 185 P C 1.241 178.210 177.300 -0.551 0.000 1.151 185 P CA 1.138 63.671 63.100 -0.945 0.000 0.849 185 P CB -0.302 31.237 31.700 -0.269 0.000 0.787 186 L N -1.771 119.299 121.223 -0.255 0.000 2.450 186 L HA -0.175 4.165 4.340 -0.000 0.000 0.225 186 L C 2.396 179.253 176.870 -0.021 0.000 1.145 186 L CA 0.777 55.595 54.840 -0.036 0.000 0.801 186 L CB -0.850 41.191 42.059 -0.029 0.000 0.924 186 L HN 0.060 nan 8.230 nan 0.000 0.447 187 L N -0.008 121.106 121.223 -0.182 0.000 2.083 187 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 187 L C 2.669 179.513 176.870 -0.044 0.000 1.083 187 L CA 1.191 55.968 54.840 -0.105 0.000 0.752 187 L CB -0.413 41.572 42.059 -0.123 0.000 0.899 187 L HN 0.319 nan 8.230 nan 0.000 0.433 188 A N -1.634 121.146 122.820 -0.067 0.000 2.259 188 A HA -0.206 4.114 4.320 -0.000 0.000 0.212 188 A C 1.757 179.230 177.584 -0.186 0.000 1.178 188 A CA 0.977 52.965 52.037 -0.082 0.000 0.734 188 A CB -0.707 18.266 19.000 -0.045 0.000 0.774 188 A HN 0.502 nan 8.150 nan 0.000 0.481 189 H N -0.675 118.377 119.070 -0.029 0.000 2.525 189 H HA 0.152 4.708 4.556 -0.000 0.000 0.275 189 H C 0.279 175.593 175.328 -0.024 0.000 0.984 189 H CA 0.247 56.280 56.048 -0.025 0.000 1.264 189 H CB 0.195 29.940 29.762 -0.028 0.000 1.432 189 H HN 0.304 nan 8.280 nan 0.000 0.549 190 I N 2.545 123.156 120.570 0.068 0.000 2.428 190 I HA -0.009 4.161 4.170 -0.000 0.000 0.289 190 I C 1.051 177.171 176.117 0.004 0.000 1.019 190 I CA -0.419 60.901 61.300 0.033 0.000 1.351 190 I CB 0.869 38.881 38.000 0.020 0.000 1.412 190 I HN 0.034 nan 8.210 nan 0.000 0.513 191 S N 4.729 120.431 115.700 0.005 0.000 2.552 191 S HA 0.126 4.596 4.470 -0.000 0.000 0.289 191 S C 1.374 175.961 174.600 -0.020 0.000 1.304 191 S CA -0.818 57.377 58.200 -0.010 0.000 1.063 191 S CB 0.991 64.190 63.200 -0.001 0.000 0.848 191 S HN 0.399 nan 8.310 nan 0.000 0.499 192 V N 2.974 122.860 119.914 -0.046 0.000 2.278 192 V HA -0.268 3.852 4.120 -0.000 0.000 0.251 192 V C 2.601 178.688 176.094 -0.010 0.000 1.062 192 V CA 2.542 64.800 62.300 -0.069 0.000 1.038 192 V CB -1.463 30.298 31.823 -0.104 0.000 0.646 192 V HN 0.909 nan 8.190 nan 0.000 0.447 193 E N -0.056 120.144 120.200 0.001 0.000 2.055 193 E HA -0.205 4.145 4.350 -0.000 0.000 0.209 193 E C 1.634 178.262 176.600 0.047 0.000 1.036 193 E CA 1.444 57.859 56.400 0.025 0.000 0.849 193 E CB -0.231 29.476 29.700 0.012 0.000 0.767 193 E HN 0.540 nan 8.360 nan 0.000 0.461 201 K N 1.594 121.897 120.400 -0.161 0.000 2.062 201 K HA 0.084 4.404 4.320 -0.000 0.000 0.205 201 K C 2.325 178.799 176.600 -0.210 0.000 1.051 201 K CA 1.015 57.198 56.287 -0.172 0.000 0.941 201 K CB 0.092 32.489 32.500 -0.171 0.000 0.719 201 K HN 0.014 nan 8.250 nan 0.000 0.440 202 L N 1.422 122.508 121.223 -0.229 0.000 2.079 202 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 202 L C 1.950 178.626 176.870 -0.323 0.000 1.081 202 L CA 1.229 55.921 54.840 -0.248 0.000 0.752 202 L CB -0.101 41.822 42.059 -0.227 0.000 0.896 202 L HN 0.193 nan 8.230 nan 0.000 0.433 203 L N -0.671 120.314 121.223 -0.396 0.000 2.275 203 L HA -0.087 4.253 4.340 -0.000 0.000 0.215 203 L C 2.196 178.898 176.870 -0.280 0.000 1.119 203 L CA 0.928 55.488 54.840 -0.467 0.000 0.790 203 L CB -0.746 40.968 42.059 -0.575 0.000 0.919 203 L HN 0.407 nan 8.230 nan 0.000 0.443 204 G N -0.561 108.111 108.800 -0.213 0.000 3.042 204 G HA2 0.118 4.078 3.960 -0.000 0.000 0.212 204 G HA3 0.118 4.078 3.960 -0.000 0.000 0.212 204 G C 0.790 175.622 174.900 -0.113 0.000 1.166 204 G CA 0.156 45.174 45.100 -0.136 0.000 0.767 204 G HN 0.356 nan 8.290 nan 0.000 0.546 205 G N 0.896 109.614 108.800 -0.136 0.000 2.380 205 G HA2 0.368 4.328 3.960 -0.000 0.000 0.242 205 G HA3 0.368 4.328 3.960 -0.000 0.000 0.242 205 G C -1.149 173.695 174.900 -0.094 0.000 1.298 205 G CA -0.705 44.341 45.100 -0.091 0.000 0.878 205 G HN -0.017 nan 8.290 nan 0.000 0.542 206 P HA 0.029 nan 4.420 nan 0.000 0.239 206 P C 0.374 177.322 177.300 -0.587 0.000 1.184 206 P CA 0.810 63.714 63.100 -0.326 0.000 0.760 206 P CB 0.105 31.566 31.700 -0.398 0.000 0.884 207 F N -1.964 117.984 119.950 -0.003 0.000 2.735 207 F HA 0.424 4.951 4.527 -0.000 0.000 0.308 207 F C 2.005 177.774 175.800 -0.051 0.000 1.112 207 F CA -0.365 57.636 58.000 0.003 0.000 1.235 207 F CB -0.282 38.729 39.000 0.017 0.000 1.027 207 F HN -0.165 nan 8.300 nan 0.000 0.528 208 A N 0.739 123.544 122.820 -0.025 0.000 1.917 208 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 208 A C 2.494 179.942 177.584 -0.228 0.000 1.182 208 A CA 1.959 53.853 52.037 -0.237 0.000 0.633 208 A CB -1.020 17.704 19.000 -0.460 0.000 0.819 208 A HN 0.355 nan 8.150 nan 0.000 0.448 209 A N 0.122 122.928 122.820 -0.024 0.000 2.117 209 A HA -0.245 4.075 4.320 -0.000 0.000 0.224 209 A C 2.086 179.751 177.584 0.136 0.000 1.167 209 A CA 2.192 54.336 52.037 0.178 0.000 0.664 209 A CB -0.473 18.689 19.000 0.271 0.000 0.811 209 A HN 0.825 nan 8.150 nan 0.000 0.470 210 R N -2.856 117.703 120.500 0.098 0.000 2.531 210 R HA 0.575 4.915 4.340 -0.000 0.000 0.316 210 R C 1.680 178.000 176.300 0.033 0.000 0.955 210 R CA 0.840 56.993 56.100 0.089 0.000 1.120 210 R CB -0.193 30.180 30.300 0.121 0.000 1.361 210 R HN 0.188 nan 8.270 nan 0.000 0.534 211 A N 1.918 124.726 122.820 -0.020 0.000 1.874 211 A HA 0.084 4.404 4.320 -0.000 0.000 0.214 211 A C 2.049 179.587 177.584 -0.076 0.000 1.189 211 A CA 0.745 52.749 52.037 -0.055 0.000 0.615 211 A CB -0.430 18.506 19.000 -0.107 0.000 0.830 211 A HN 0.220 nan 8.150 nan 0.000 0.443 212 L N -0.193 120.946 121.223 -0.141 0.000 2.012 212 L HA -0.143 4.197 4.340 -0.000 0.000 0.210 212 L C -0.458 176.403 176.870 -0.015 0.000 1.073 212 L CA 1.638 56.410 54.840 -0.114 0.000 0.748 212 L CB -1.698 40.250 42.059 -0.185 0.000 0.891 212 L HN 0.220 nan 8.230 nan 0.000 0.431 213 P HA -0.250 nan 4.420 nan 0.000 0.211 213 P C 1.855 179.178 177.300 0.039 0.000 1.181 213 P CA 1.324 64.453 63.100 0.049 0.000 0.929 213 P CB -0.069 31.670 31.700 0.066 0.000 0.789 214 L N -1.133 120.110 121.223 0.032 0.000 2.030 214 L HA -0.237 4.102 4.340 -0.000 0.000 0.222 214 L C 2.335 179.225 176.870 0.033 0.000 1.082 214 L CA 1.813 56.672 54.840 0.033 0.000 0.785 214 L CB -1.527 40.547 42.059 0.026 0.000 0.895 214 L HN -0.125 nan 8.230 nan 0.000 0.439 215 L N -1.024 120.213 121.223 0.023 0.000 2.211 215 L HA -0.283 4.057 4.340 -0.000 0.000 0.216 215 L C 2.277 179.179 176.870 0.053 0.000 1.092 215 L CA 2.211 57.071 54.840 0.033 0.000 0.767 215 L CB -0.784 41.289 42.059 0.023 0.000 0.894 215 L HN 0.422 nan 8.230 nan 0.000 0.437 216 A N -1.843 121.007 122.820 0.051 0.000 1.901 216 A HA -0.046 4.274 4.320 -0.000 0.000 0.210 216 A C 2.136 179.753 177.584 0.055 0.000 1.208 216 A CA 0.690 52.761 52.037 0.057 0.000 0.644 216 A CB -0.400 18.633 19.000 0.055 0.000 0.863 216 A HN 0.423 nan 8.150 nan 0.000 0.454 217 E N 0.376 120.606 120.200 0.052 0.000 2.209 217 E HA -0.090 4.260 4.350 -0.000 0.000 0.196 217 E C 0.703 177.335 176.600 0.054 0.000 0.993 217 E CA 1.181 57.612 56.400 0.051 0.000 0.819 217 E CB -0.188 29.540 29.700 0.048 0.000 0.745 217 E HN 0.740 nan 8.360 nan 0.000 0.477 218 T N -3.670 110.917 114.554 0.055 0.000 2.922 218 T HA 0.345 4.695 4.350 -0.000 0.000 0.285 218 T C 1.381 176.124 174.700 0.072 0.000 1.005 218 T CA -0.404 61.730 62.100 0.057 0.000 1.061 218 T CB 1.747 70.642 68.868 0.045 0.000 1.007 218 T HN 0.019 nan 8.240 nan 0.000 0.502 219 G N 0.968 109.817 108.800 0.081 0.000 2.550 219 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.222 219 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.222 219 G C 1.372 176.383 174.900 0.184 0.000 1.113 219 G CA 0.804 45.984 45.100 0.133 0.000 0.748 219 G HN 0.786 nan 8.290 nan 0.000 0.585 220 L N 0.157 121.450 121.223 0.117 0.000 2.211 220 L HA -0.120 4.220 4.340 -0.000 0.000 0.216 220 L C 1.636 178.618 176.870 0.187 0.000 1.092 220 L CA 0.598 55.515 54.840 0.128 0.000 0.767 220 L CB -0.589 41.500 42.059 0.051 0.000 0.894 220 L HN 0.393 nan 8.230 nan 0.000 0.437 221 N N -0.448 118.337 118.700 0.141 0.000 2.492 221 N HA 0.140 4.880 4.740 -0.000 0.000 0.260 221 N C 0.820 176.358 175.510 0.046 0.000 1.215 221 N CA 0.760 53.872 53.050 0.103 0.000 0.923 221 N CB 0.705 39.236 38.487 0.073 0.000 1.092 221 N HN 0.229 nan 8.380 nan 0.000 0.448 222 A N 2.647 125.440 122.820 -0.044 0.000 3.168 222 A HA -0.209 4.111 4.320 -0.000 0.000 0.249 222 A C -0.310 176.936 177.584 -0.564 0.000 1.280 222 A CA 0.963 52.842 52.037 -0.263 0.000 1.128 222 A CB -2.327 16.479 19.000 -0.323 0.000 1.160 222 A HN 0.841 nan 8.150 nan 0.000 0.900 223 Y N -1.218 119.067 120.300 -0.025 0.000 2.471 223 Y HA 0.493 5.043 4.550 -0.000 0.000 0.249 223 Y C 0.751 176.590 175.900 -0.101 0.000 1.116 223 Y CA -0.212 57.853 58.100 -0.058 0.000 1.240 223 Y CB 0.641 39.072 38.460 -0.047 0.000 1.251 223 Y HN 0.336 nan 8.280 nan 0.000 0.527 224 L N 2.486 123.717 121.223 0.012 0.000 2.307 224 L HA 0.419 4.759 4.340 -0.000 0.000 0.282 224 L C -2.382 174.335 176.870 -0.255 0.000 1.051 224 L CA -2.259 52.496 54.840 -0.142 0.000 0.804 224 L CB 0.886 42.956 42.059 0.020 0.000 1.197 224 L HN -0.256 nan 8.230 nan 0.000 0.431 225 P HA -0.093 nan 4.420 nan 0.000 0.259 225 P C 0.904 178.147 177.300 -0.095 0.000 1.155 225 P CA 1.112 63.854 63.100 -0.597 0.000 0.759 225 P CB 0.468 31.341 31.700 -1.379 0.000 0.753 226 G N 2.895 111.781 108.800 0.143 0.000 2.196 226 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.268 226 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.268 226 G C 0.456 175.579 174.900 0.373 0.000 0.975 226 G CA 0.190 45.583 45.100 0.487 0.000 0.648 226 G HN 0.540 nan 8.290 nan 0.000 0.538 227 L N 0.999 122.392 121.223 0.284 0.000 3.001 227 L HA 0.551 4.891 4.340 -0.000 0.000 0.234 227 L C 1.335 178.245 176.870 0.066 0.000 1.321 227 L CA 0.049 55.010 54.840 0.201 0.000 1.138 227 L CB 0.086 42.298 42.059 0.255 0.000 1.503 227 L HN 0.391 nan 8.230 nan 0.000 0.487 228 A N -0.133 122.704 122.820 0.028 0.000 2.347 228 A HA 0.505 4.825 4.320 -0.000 0.000 0.287 228 A C 1.427 178.998 177.584 -0.023 0.000 1.199 228 A CA 0.411 52.428 52.037 -0.033 0.000 0.851 228 A CB 0.220 19.194 19.000 -0.043 0.000 1.118 228 A HN 0.660 nan 8.150 nan 0.000 0.525 229 G N 2.382 111.162 108.800 -0.032 0.000 2.200 229 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.267 229 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.267 229 G C 0.805 175.704 174.900 -0.002 0.000 0.993 229 G CA 0.851 45.940 45.100 -0.018 0.000 0.701 229 G HN 0.747 nan 8.290 nan 0.000 0.524 230 K N 0.110 120.515 120.400 0.008 0.000 2.555 230 K HA 0.084 4.404 4.320 -0.000 0.000 0.193 230 K C 1.903 178.520 176.600 0.028 0.000 1.032 230 K CA 0.830 57.125 56.287 0.014 0.000 1.004 230 K CB 0.037 32.547 32.500 0.017 0.000 0.804 230 K HN 0.571 nan 8.250 nan 0.000 0.496 231 E N 1.568 121.785 120.200 0.029 0.000 2.240 231 E HA -0.294 4.056 4.350 -0.000 0.000 0.236 231 E C 1.631 178.258 176.600 0.046 0.000 1.085 231 E CA 2.298 58.721 56.400 0.038 0.000 0.979 231 E CB -0.175 29.544 29.700 0.032 0.000 0.845 231 E HN 0.292 nan 8.360 nan 0.000 0.483 232 K N 0.012 120.436 120.400 0.041 0.000 2.015 232 K HA -0.270 4.050 4.320 -0.000 0.000 0.220 232 K C 2.252 178.891 176.600 0.065 0.000 1.055 232 K CA 1.939 58.256 56.287 0.049 0.000 0.951 232 K CB -0.330 32.193 32.500 0.039 0.000 0.725 232 K HN 0.206 nan 8.250 nan 0.000 0.449 233 Q N 0.839 120.673 119.800 0.056 0.000 2.096 233 Q HA -0.209 4.131 4.340 -0.000 0.000 0.208 233 Q C 2.361 178.419 176.000 0.097 0.000 0.993 233 Q CA 1.596 57.440 55.803 0.068 0.000 0.862 233 Q CB -0.698 28.058 28.738 0.030 0.000 0.915 233 Q HN 0.413 nan 8.270 nan 0.000 0.416 234 L N 0.246 121.518 121.223 0.083 0.000 1.990 234 L HA -0.217 4.123 4.340 -0.000 0.000 0.213 234 L C 2.854 179.796 176.870 0.119 0.000 1.072 234 L CA 1.502 56.398 54.840 0.093 0.000 0.755 234 L CB -0.446 41.655 42.059 0.070 0.000 0.889 234 L HN 0.243 nan 8.230 nan 0.000 0.432 235 R N -0.228 120.336 120.500 0.106 0.000 2.081 235 R HA -0.149 4.191 4.340 -0.000 0.000 0.235 235 R C 2.302 178.694 176.300 0.153 0.000 1.131 235 R CA 1.186 57.354 56.100 0.113 0.000 0.960 235 R CB -0.277 30.076 30.300 0.088 0.000 0.856 235 R HN 0.355 nan 8.270 nan 0.000 0.436 236 L N -0.035 121.288 121.223 0.166 0.000 2.131 236 L HA -0.143 4.197 4.340 -0.000 0.000 0.210 236 L C 2.592 179.661 176.870 0.333 0.000 1.092 236 L CA 0.986 55.953 54.840 0.212 0.000 0.759 236 L CB -0.645 41.536 42.059 0.203 0.000 0.903 236 L HN 0.274 nan 8.230 nan 0.000 0.435 237 A N 0.458 123.486 122.820 0.346 0.000 1.997 237 A HA -0.325 3.995 4.320 -0.000 0.000 0.221 237 A C 2.558 180.510 177.584 0.613 0.000 1.172 237 A CA 1.884 54.214 52.037 0.490 0.000 0.645 237 A CB -0.687 18.531 19.000 0.363 0.000 0.813 237 A HN 0.465 nan 8.150 nan 0.000 0.454 238 A N -0.264 122.792 122.820 0.394 0.000 1.985 238 A HA -0.096 4.224 4.320 -0.000 0.000 0.223 238 A C 2.461 180.261 177.584 0.360 0.000 1.189 238 A CA 2.746 54.987 52.037 0.341 0.000 0.658 238 A CB -1.116 18.013 19.000 0.214 0.000 0.820 238 A HN 1.385 nan 8.150 nan 0.000 0.464 239 A N -1.997 121.008 122.820 0.309 0.000 2.067 239 A HA 0.171 4.491 4.320 -0.000 0.000 0.219 239 A C 0.775 178.409 177.584 0.084 0.000 1.158 239 A CA 0.308 52.430 52.037 0.142 0.000 0.661 239 A CB -0.484 18.531 19.000 0.025 0.000 0.801 239 A HN 0.493 nan 8.150 nan 0.000 0.452 240 Y N 0.124 120.455 120.300 0.053 0.000 2.610 240 Y HA 0.120 4.669 4.550 -0.000 0.000 0.332 240 Y C 1.257 177.043 175.900 -0.191 0.000 1.201 240 Y CA 0.075 58.066 58.100 -0.181 0.000 1.465 240 Y CB 0.398 38.495 38.460 -0.605 0.000 1.283 240 Y HN 0.087 nan 8.280 nan 0.000 0.563 241 R N 3.834 124.317 120.500 -0.028 0.000 4.779 241 R HA -0.059 4.281 4.340 -0.000 0.000 0.217 241 R C 0.304 176.657 176.300 0.088 0.000 1.934 241 R CA -0.073 56.057 56.100 0.050 0.000 1.623 241 R CB -0.515 29.805 30.300 0.033 0.000 1.364 241 R HN 0.906 nan 8.270 nan 0.000 0.799 242 W N 1.494 122.875 121.300 0.135 0.000 2.286 242 W HA -0.251 4.408 4.660 -0.000 0.000 0.341 242 W C -0.501 176.041 176.519 0.037 0.000 1.359 242 W CA 1.298 58.682 57.345 0.064 0.000 1.269 242 W CB -1.853 27.614 29.460 0.013 0.000 1.123 242 W HN 0.311 nan 8.180 nan 0.000 0.467 243 P HA -0.288 nan 4.420 nan 0.000 0.221 243 P C 1.205 178.607 177.300 0.170 0.000 1.151 243 P CA 2.222 65.410 63.100 0.148 0.000 0.843 243 P CB -0.562 31.199 31.700 0.102 0.000 0.778 244 W N -0.295 121.029 121.300 0.040 0.000 2.905 244 W HA 0.045 4.705 4.660 -0.000 0.000 0.251 244 W C -0.161 176.380 176.519 0.037 0.000 1.305 244 W CA 0.057 57.417 57.345 0.026 0.000 1.465 244 W CB -0.061 29.407 29.460 0.013 0.000 1.122 244 W HN -0.174 nan 8.180 nan 0.000 0.659 245 L N 1.896 123.112 121.223 -0.011 0.000 2.584 245 L HA -0.079 4.261 4.340 -0.000 0.000 0.272 245 L C 1.390 178.119 176.870 -0.235 0.000 1.195 245 L CA 0.297 55.081 54.840 -0.093 0.000 0.920 245 L CB 0.463 42.536 42.059 0.024 0.000 1.173 245 L HN -0.077 nan 8.230 nan 0.000 0.489 246 A N 3.704 126.340 122.820 -0.306 0.000 1.924 246 A HA 0.481 4.800 4.320 -0.000 0.000 0.211 246 A C 0.928 178.396 177.584 -0.193 0.000 1.198 246 A CA 0.973 52.807 52.037 -0.339 0.000 0.657 246 A CB 0.159 18.931 19.000 -0.380 0.000 0.852 246 A HN 0.748 nan 8.150 nan 0.000 0.454 247 A N -1.896 120.846 122.820 -0.129 0.000 2.479 247 A HA 0.638 4.958 4.320 -0.000 0.000 0.296 247 A C 0.895 178.460 177.584 -0.031 0.000 1.121 247 A CA -0.198 51.793 52.037 -0.078 0.000 0.743 247 A CB 0.625 19.584 19.000 -0.068 0.000 1.323 247 A HN 0.234 nan 8.150 nan 0.000 0.415 248 R N -0.235 120.264 120.500 -0.000 0.000 2.136 248 R HA -0.258 4.082 4.340 -0.000 0.000 0.242 248 R C 1.596 178.004 176.300 0.180 0.000 1.131 248 R CA 2.735 58.880 56.100 0.075 0.000 0.937 248 R CB -0.348 30.016 30.300 0.106 0.000 0.863 248 R HN 0.888 nan 8.270 nan 0.000 0.435 249 E N 0.388 120.675 120.200 0.145 0.000 2.070 249 E HA -0.209 4.141 4.350 -0.000 0.000 0.197 249 E C 1.908 178.599 176.600 0.153 0.000 1.004 249 E CA 1.835 58.334 56.400 0.165 0.000 0.805 249 E CB -0.273 29.475 29.700 0.080 0.000 0.744 249 E HN 0.512 nan 8.360 nan 0.000 0.451 250 E N 0.304 120.549 120.200 0.076 0.000 2.085 250 E HA -0.184 4.166 4.350 -0.000 0.000 0.194 250 E C 2.217 178.847 176.600 0.049 0.000 0.994 250 E CA 0.869 57.300 56.400 0.051 0.000 0.801 250 E CB -0.080 29.627 29.700 0.012 0.000 0.743 250 E HN 0.104 nan 8.360 nan 0.000 0.453 251 R N -0.056 120.458 120.500 0.023 0.000 2.088 251 R HA -0.178 4.161 4.340 -0.000 0.000 0.232 251 R C 2.006 178.292 176.300 -0.023 0.000 1.136 251 R CA 2.108 58.194 56.100 -0.023 0.000 0.926 251 R CB -0.324 29.857 30.300 -0.198 0.000 0.837 251 R HN 0.241 nan 8.270 nan 0.000 0.429 252 W N 0.229 121.538 121.300 0.015 0.000 2.338 252 W HA -0.140 4.520 4.660 -0.000 0.000 0.304 252 W C 2.418 178.965 176.519 0.047 0.000 1.212 252 W CA 1.019 58.361 57.345 -0.005 0.000 1.264 252 W CB -0.533 28.888 29.460 -0.065 0.000 1.142 252 W HN 0.292 nan 8.180 nan 0.000 0.512 253 A N 0.473 123.450 122.820 0.262 0.000 1.870 253 A HA -0.314 4.005 4.320 -0.000 0.000 0.219 253 A C 1.945 179.591 177.584 0.104 0.000 1.224 253 A CA 2.273 54.405 52.037 0.158 0.000 0.650 253 A CB -1.322 17.737 19.000 0.098 0.000 0.836 253 A HN 0.301 nan 8.150 nan 0.000 0.454 254 L N -1.175 120.061 121.223 0.022 0.000 2.079 254 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 254 L C 2.336 179.158 176.870 -0.080 0.000 1.081 254 L CA 1.902 56.660 54.840 -0.136 0.000 0.752 254 L CB -0.403 41.432 42.059 -0.373 0.000 0.896 254 L HN 0.463 nan 8.230 nan 0.000 0.433 255 L N -1.121 120.192 121.223 0.150 0.000 2.079 255 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 255 L C 2.427 179.383 176.870 0.142 0.000 1.081 255 L CA 1.776 56.758 54.840 0.237 0.000 0.752 255 L CB -0.988 41.173 42.059 0.170 0.000 0.896 255 L HN 0.382 nan 8.230 nan 0.000 0.433 256 C N -0.994 118.402 119.300 0.160 0.000 2.491 256 C HA -0.200 4.260 4.460 -0.000 0.000 0.283 256 C C 2.700 177.676 174.990 -0.022 0.000 1.238 256 C CA 1.052 60.102 59.018 0.052 0.000 1.735 256 C CB -1.259 26.552 27.740 0.118 0.000 2.080 256 C HN 0.779 nan 8.230 nan 0.000 0.463 257 H N 0.672 119.677 119.070 -0.108 0.000 2.466 257 H HA -0.170 4.386 4.556 -0.000 0.000 0.297 257 H C 1.877 177.080 175.328 -0.208 0.000 1.113 257 H CA 1.840 57.786 56.048 -0.170 0.000 1.273 257 H CB 0.004 29.652 29.762 -0.191 0.000 1.371 257 H HN 0.460 nan 8.280 nan 0.000 0.528 258 A N -0.404 122.331 122.820 -0.141 0.000 2.195 258 A HA 0.173 4.493 4.320 -0.000 0.000 0.210 258 A C 1.750 179.280 177.584 -0.089 0.000 1.165 258 A CA 0.147 52.054 52.037 -0.218 0.000 0.806 258 A CB 0.138 18.703 19.000 -0.726 0.000 0.847 258 A HN 0.442 nan 8.150 nan 0.000 0.482 259 L N -0.837 120.327 121.223 -0.099 0.000 2.667 259 L HA 0.245 4.585 4.340 -0.000 0.000 0.232 259 L C 1.391 178.185 176.870 -0.127 0.000 1.138 259 L CA 0.329 55.114 54.840 -0.092 0.000 0.921 259 L CB 0.108 42.092 42.059 -0.125 0.000 1.180 259 L HN 0.472 nan 8.230 nan 0.000 0.487 260 G N 1.303 110.012 108.800 -0.152 0.000 2.390 260 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.299 260 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.299 260 G C 0.233 175.037 174.900 -0.161 0.000 1.002 260 G CA 0.184 45.178 45.100 -0.175 0.000 0.979 260 G HN 0.143 nan 8.290 nan 0.000 0.513 261 V N 0.435 120.242 119.914 -0.179 0.000 2.811 261 V HA 0.136 4.256 4.120 -0.000 0.000 0.302 261 V C 1.578 177.607 176.094 -0.110 0.000 1.063 261 V CA 0.706 62.895 62.300 -0.184 0.000 1.088 261 V CB 1.387 33.047 31.823 -0.270 0.000 0.982 261 V HN 0.705 nan 8.190 nan 0.000 0.485 262 Q N 3.501 123.253 119.800 -0.081 0.000 1.922 262 Q HA 0.175 4.515 4.340 -0.000 0.000 0.224 262 Q C -0.037 175.956 176.000 -0.011 0.000 0.973 262 Q CA 0.193 55.970 55.803 -0.043 0.000 0.858 262 Q CB 0.155 28.872 28.738 -0.034 0.000 0.910 262 Q HN 0.743 nan 8.270 nan 0.000 0.456 263 E N 2.066 122.272 120.200 0.010 0.000 2.089 263 E HA 0.091 4.441 4.350 -0.000 0.000 0.284 263 E C 0.692 177.337 176.600 0.075 0.000 1.023 263 E CA -0.022 56.400 56.400 0.036 0.000 0.819 263 E CB 1.185 30.906 29.700 0.036 0.000 1.076 263 E HN 0.370 nan 8.360 nan 0.000 0.396 264 S N 4.185 119.934 115.700 0.082 0.000 2.356 264 S HA -0.238 4.232 4.470 -0.000 0.000 0.223 264 S C 1.866 176.552 174.600 0.144 0.000 1.032 264 S CA 0.476 58.756 58.200 0.134 0.000 1.005 264 S CB -0.045 63.216 63.200 0.103 0.000 0.867 264 S HN 0.456 nan 8.310 nan 0.000 0.449 265 R N 2.090 122.640 120.500 0.083 0.000 2.115 265 R HA -0.087 4.252 4.340 -0.000 0.000 0.239 265 R C -0.596 175.737 176.300 0.056 0.000 1.133 265 R CA 2.327 58.457 56.100 0.050 0.000 0.935 265 R CB -1.907 28.412 30.300 0.031 0.000 0.853 265 R HN 0.358 nan 8.270 nan 0.000 0.433 266 P HA -0.154 nan 4.420 nan 0.000 0.213 266 P C 1.282 178.655 177.300 0.121 0.000 1.170 266 P CA 1.042 64.189 63.100 0.078 0.000 0.898 266 P CB -0.380 31.371 31.700 0.086 0.000 0.787 267 F N 0.717 120.692 119.950 0.043 0.000 2.021 267 F HA -0.264 4.263 4.527 -0.000 0.000 0.297 267 F C 2.048 177.935 175.800 0.144 0.000 1.152 267 F CA 1.736 59.797 58.000 0.101 0.000 1.201 267 F CB -1.331 37.742 39.000 0.122 0.000 0.951 267 F HN -0.277 nan 8.300 nan 0.000 0.504 268 L N -0.172 120.988 121.223 -0.105 0.000 2.189 268 L HA -0.257 4.083 4.340 -0.000 0.000 0.214 268 L C 2.694 179.403 176.870 -0.270 0.000 1.097 268 L CA 1.545 56.170 54.840 -0.358 0.000 0.764 268 L CB -0.777 41.113 42.059 -0.281 0.000 0.900 268 L HN 0.216 nan 8.230 nan 0.000 0.436 269 R N 0.004 120.420 120.500 -0.141 0.000 2.092 269 R HA -0.107 4.233 4.340 -0.000 0.000 0.231 269 R C 2.465 178.696 176.300 -0.116 0.000 1.119 269 R CA 1.147 57.178 56.100 -0.114 0.000 0.970 269 R CB -0.263 29.998 30.300 -0.065 0.000 0.864 269 R HN 0.369 nan 8.270 nan 0.000 0.440 270 A N -0.026 122.715 122.820 -0.131 0.000 1.986 270 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 270 A C 1.173 178.604 177.584 -0.255 0.000 1.171 270 A CA 1.205 53.128 52.037 -0.190 0.000 0.640 270 A CB -0.793 18.073 19.000 -0.223 0.000 0.811 270 A HN 0.506 nan 8.150 nan 0.000 0.451 271 W N -0.286 120.803 121.300 -0.351 0.000 3.310 271 W HA 0.262 4.922 4.660 -0.000 0.000 0.259 271 W C 0.619 176.982 176.519 -0.261 0.000 1.324 271 W CA 0.407 57.560 57.345 -0.319 0.000 1.636 271 W CB -0.316 28.838 29.460 -0.510 0.000 1.104 271 W HN 0.258 nan 8.180 nan 0.000 0.722 272 K N 0.161 120.528 120.400 -0.056 0.000 3.078 272 K HA -0.239 4.081 4.320 -0.000 0.000 0.261 272 K C -0.024 176.532 176.600 -0.074 0.000 0.947 272 K CA 0.181 56.430 56.287 -0.063 0.000 0.702 272 K CB -1.783 30.690 32.500 -0.045 0.000 1.318 272 K HN 0.253 nan 8.250 nan 0.000 0.473 273 L N 1.270 122.404 121.223 -0.149 0.000 2.439 273 L HA 0.196 4.536 4.340 -0.000 0.000 0.269 273 L C -1.275 175.512 176.870 -0.138 0.000 1.179 273 L CA -1.795 52.928 54.840 -0.194 0.000 0.828 273 L CB 0.056 41.862 42.059 -0.422 0.000 1.106 273 L HN 0.016 nan 8.230 nan 0.000 0.467 274 P HA 0.036 nan 4.420 nan 0.000 0.269 274 P C -0.152 177.099 177.300 -0.080 0.000 1.209 274 P CA -0.228 62.829 63.100 -0.072 0.000 0.776 274 P CB 0.607 32.277 31.700 -0.050 0.000 0.876 275 N N 2.532 121.195 118.700 -0.062 0.000 2.007 275 N HA -0.189 4.551 4.740 -0.000 0.000 0.197 275 N C 1.550 177.028 175.510 -0.053 0.000 1.050 275 N CA 1.553 54.569 53.050 -0.057 0.000 0.856 275 N CB -0.356 38.107 38.487 -0.040 0.000 1.050 275 N HN 0.504 nan 8.380 nan 0.000 0.423 276 K N 0.680 121.054 120.400 -0.042 0.000 2.127 276 K HA -0.178 4.142 4.320 -0.000 0.000 0.212 276 K C 2.106 178.684 176.600 -0.036 0.000 1.050 276 K CA 1.293 57.560 56.287 -0.034 0.000 0.929 276 K CB -0.499 31.983 32.500 -0.030 0.000 0.715 276 K HN 0.035 nan 8.250 nan 0.000 0.457 277 V N 0.986 120.870 119.914 -0.049 0.000 2.261 277 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 277 V C 2.312 178.362 176.094 -0.073 0.000 1.047 277 V CA 1.627 63.895 62.300 -0.054 0.000 1.015 277 V CB -0.232 31.542 31.823 -0.083 0.000 0.642 277 V HN 0.100 nan 8.190 nan 0.000 0.446 278 V N -0.028 119.819 119.914 -0.111 0.000 2.594 278 V HA -0.216 3.904 4.120 -0.000 0.000 0.253 278 V C 2.157 178.224 176.094 -0.044 0.000 1.069 278 V CA 1.899 64.134 62.300 -0.108 0.000 1.082 278 V CB -0.706 31.044 31.823 -0.121 0.000 0.680 278 V HN 0.543 nan 8.190 nan 0.000 0.469 279 D N 0.001 120.382 120.400 -0.032 0.000 2.085 279 D HA -0.131 4.509 4.640 -0.000 0.000 0.199 279 D C 2.242 178.544 176.300 0.004 0.000 0.981 279 D CA 1.213 55.206 54.000 -0.010 0.000 0.834 279 D CB -0.148 40.644 40.800 -0.012 0.000 0.992 279 D HN 0.366 nan 8.370 nan 0.000 0.457 280 E N 0.584 120.785 120.200 0.001 0.000 2.204 280 E HA -0.063 4.287 4.350 -0.000 0.000 0.195 280 E C 1.737 178.357 176.600 0.033 0.000 0.990 280 E CA 0.944 57.353 56.400 0.014 0.000 0.821 280 E CB -0.230 29.474 29.700 0.007 0.000 0.750 280 E HN 0.200 nan 8.360 nan 0.000 0.477 281 A N 0.168 123.009 122.820 0.035 0.000 1.835 281 A HA -0.091 4.229 4.320 -0.000 0.000 0.215 281 A C 2.482 180.107 177.584 0.068 0.000 1.199 281 A CA 1.989 54.067 52.037 0.068 0.000 0.615 281 A CB -1.545 17.494 19.000 0.066 0.000 0.838 281 A HN 0.404 nan 8.150 nan 0.000 0.444 282 G N -0.388 108.444 108.800 0.053 0.000 2.599 282 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.219 282 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.219 282 G C 1.849 176.780 174.900 0.051 0.000 1.193 282 G CA 2.612 47.744 45.100 0.052 0.000 0.778 282 G HN 1.161 nan 8.290 nan 0.000 0.589 283 A N 0.737 123.584 122.820 0.045 0.000 1.935 283 A HA -0.255 4.065 4.320 -0.000 0.000 0.224 283 A C 2.460 180.083 177.584 0.065 0.000 1.324 283 A CA 2.284 54.351 52.037 0.051 0.000 0.686 283 A CB -0.569 18.457 19.000 0.044 0.000 0.837 283 A HN 0.498 nan 8.150 nan 0.000 0.481 284 I N -1.290 119.323 120.570 0.072 0.000 2.206 284 I HA -0.160 4.010 4.170 -0.000 0.000 0.239 284 I C 2.453 178.614 176.117 0.073 0.000 1.078 284 I CA 0.926 62.278 61.300 0.087 0.000 1.367 284 I CB -0.481 37.571 38.000 0.087 0.000 1.078 284 I HN 0.293 nan 8.210 nan 0.000 0.413 285 L N 0.571 121.837 121.223 0.072 0.000 2.064 285 L HA -0.307 4.033 4.340 -0.000 0.000 0.216 285 L C 2.667 179.569 176.870 0.054 0.000 1.077 285 L CA 1.860 56.743 54.840 0.072 0.000 0.766 285 L CB -0.758 41.349 42.059 0.080 0.000 0.890 285 L HN 0.372 nan 8.230 nan 0.000 0.435 286 T N -0.508 114.072 114.554 0.043 0.000 2.564 286 T HA -0.222 4.128 4.350 -0.000 0.000 0.259 286 T C 1.898 176.599 174.700 0.003 0.000 1.087 286 T CA 1.446 63.560 62.100 0.024 0.000 1.184 286 T CB -0.464 68.421 68.868 0.028 0.000 0.864 286 T HN 0.494 nan 8.240 nan 0.000 0.403 287 A N 1.006 123.830 122.820 0.007 0.000 1.997 287 A HA -0.135 4.185 4.320 -0.000 0.000 0.221 287 A C 2.260 179.786 177.584 -0.097 0.000 1.172 287 A CA 1.646 53.653 52.037 -0.050 0.000 0.645 287 A CB -0.968 18.045 19.000 0.021 0.000 0.813 287 A HN 0.396 nan 8.150 nan 0.000 0.454 288 L N -0.516 120.698 121.223 -0.014 0.000 1.994 288 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 288 L C 2.790 179.648 176.870 -0.020 0.000 1.071 288 L CA 2.272 57.108 54.840 -0.007 0.000 0.745 288 L CB -0.766 41.316 42.059 0.038 0.000 0.892 288 L HN 0.347 nan 8.230 nan 0.000 0.431 289 A N -1.259 121.560 122.820 -0.001 0.000 1.972 289 A HA -0.200 4.119 4.320 -0.000 0.000 0.219 289 A C 1.992 179.548 177.584 -0.046 0.000 1.169 289 A CA 1.870 53.902 52.037 -0.008 0.000 0.635 289 A CB -0.658 18.341 19.000 -0.001 0.000 0.810 289 A HN 0.558 nan 8.150 nan 0.000 0.446 290 D N -0.374 119.979 120.400 -0.078 0.000 2.162 290 D HA 0.054 4.694 4.640 -0.000 0.000 0.203 290 D C 0.335 176.538 176.300 -0.162 0.000 0.967 290 D CA 0.826 54.764 54.000 -0.103 0.000 0.840 290 D CB 0.030 40.768 40.800 -0.102 0.000 0.972 290 D HN 0.462 nan 8.370 nan 0.000 0.482 291 I N 1.380 121.802 120.570 -0.248 0.000 2.359 291 I HA 0.166 4.336 4.170 -0.000 0.000 0.284 291 I C -1.953 174.033 176.117 -0.218 0.000 1.018 291 I CA -1.694 59.414 61.300 -0.320 0.000 1.173 291 I CB 2.125 39.732 38.000 -0.655 0.000 1.326 291 I HN -0.266 nan 8.210 nan 0.000 0.462 292 P HA 0.111 nan 4.420 nan 0.000 0.245 292 P C -0.413 176.841 177.300 -0.076 0.000 1.203 292 P CA 0.428 63.484 63.100 -0.073 0.000 0.792 292 P CB 0.374 32.047 31.700 -0.044 0.000 0.997 293 R N -0.742 119.682 120.500 -0.127 0.000 2.574 293 R HA 0.351 4.691 4.340 -0.000 0.000 0.288 293 R C -2.497 173.670 176.300 -0.223 0.000 1.004 293 R CA -2.121 53.893 56.100 -0.143 0.000 0.895 293 R CB 0.881 31.119 30.300 -0.103 0.000 1.191 293 R HN -0.262 nan 8.270 nan 0.000 0.444 294 P HA -0.161 nan 4.420 nan 0.000 0.223 294 P C 0.159 177.137 177.300 -0.537 0.000 1.144 294 P CA 1.171 63.927 63.100 -0.573 0.000 0.783 294 P CB 0.351 31.126 31.700 -1.543 0.000 0.771 295 E N -0.521 119.454 120.200 -0.374 0.000 2.285 295 E HA 0.009 4.359 4.350 -0.000 0.000 0.194 295 E C 1.919 178.512 176.600 -0.012 0.000 0.997 295 E CA 0.942 57.261 56.400 -0.135 0.000 0.845 295 E CB -0.744 28.941 29.700 -0.026 0.000 0.782 295 E HN 0.174 nan 8.360 nan 0.000 0.491 296 A N 0.137 122.927 122.820 -0.051 0.000 2.251 296 A HA 0.034 4.354 4.320 -0.000 0.000 0.209 296 A C -0.196 177.385 177.584 -0.005 0.000 1.187 296 A CA -0.416 51.597 52.037 -0.039 0.000 0.823 296 A CB -0.529 18.412 19.000 -0.098 0.000 0.846 296 A HN 0.203 nan 8.150 nan 0.000 0.486 297 W N 1.144 122.419 121.300 -0.041 0.000 2.314 297 W HA 0.219 4.879 4.660 -0.000 0.000 0.339 297 W C 0.044 176.589 176.519 0.044 0.000 1.293 297 W CA 1.074 58.425 57.345 0.010 0.000 1.288 297 W CB 0.384 29.857 29.460 0.023 0.000 1.186 297 W HN 0.071 nan 8.180 nan 0.000 0.566 298 T N 3.885 118.609 114.554 0.284 0.000 2.807 298 T HA 0.093 4.443 4.350 -0.000 0.000 0.279 298 T C 0.932 175.790 174.700 0.264 0.000 0.993 298 T CA -0.960 61.266 62.100 0.210 0.000 0.970 298 T CB 1.364 70.311 68.868 0.131 0.000 0.950 298 T HN 0.294 nan 8.240 nan 0.000 0.441 299 N N 2.052 120.880 118.700 0.213 0.000 2.139 299 N HA -0.227 4.513 4.740 -0.000 0.000 0.199 299 N C 1.702 177.394 175.510 0.303 0.000 1.003 299 N CA 1.805 54.988 53.050 0.222 0.000 0.892 299 N CB -0.152 38.419 38.487 0.139 0.000 1.039 299 N HN 0.722 nan 8.380 nan 0.000 0.461 300 E N 0.642 121.003 120.200 0.268 0.000 2.023 300 E HA -0.215 4.134 4.350 -0.000 0.000 0.196 300 E C 2.003 178.866 176.600 0.439 0.000 1.003 300 E CA 1.306 57.922 56.400 0.361 0.000 0.809 300 E CB -0.335 29.488 29.700 0.205 0.000 0.755 300 E HN 0.592 nan 8.360 nan 0.000 0.449 301 Q N 0.510 120.515 119.800 0.342 0.000 2.050 301 Q HA -0.175 4.165 4.340 -0.000 0.000 0.202 301 Q C 2.406 178.721 176.000 0.525 0.000 0.980 301 Q CA 1.005 57.011 55.803 0.338 0.000 0.840 301 Q CB -0.321 28.514 28.738 0.160 0.000 0.898 301 Q HN 0.143 nan 8.270 nan 0.000 0.424 302 L N 0.636 122.234 121.223 0.625 0.000 1.989 302 L HA -0.187 4.153 4.340 -0.000 0.000 0.211 302 L C 2.211 179.341 176.870 0.434 0.000 1.071 302 L CA 1.742 56.901 54.840 0.530 0.000 0.749 302 L CB -0.792 41.512 42.059 0.408 0.000 0.890 302 L HN 0.179 nan 8.230 nan 0.000 0.431 303 F N -0.487 119.615 119.950 0.253 0.000 2.120 303 F HA -0.303 4.224 4.527 -0.000 0.000 0.300 303 F C 2.521 178.355 175.800 0.058 0.000 1.095 303 F CA 2.000 60.068 58.000 0.113 0.000 1.249 303 F CB -0.416 38.608 39.000 0.039 0.000 0.995 303 F HN 0.127 nan 8.300 nan 0.000 0.480 304 S N 0.135 116.060 115.700 0.375 0.000 2.351 304 S HA -0.200 4.269 4.470 -0.000 0.000 0.220 304 S C 2.138 176.804 174.600 0.110 0.000 1.035 304 S CA 1.367 59.702 58.200 0.224 0.000 1.031 304 S CB -0.847 62.534 63.200 0.301 0.000 0.928 304 S HN 0.522 nan 8.310 nan 0.000 0.433 305 A N 0.312 123.254 122.820 0.203 0.000 2.167 305 A HA 0.467 4.787 4.320 -0.000 0.000 0.214 305 A C 1.164 178.775 177.584 0.045 0.000 1.151 305 A CA 0.727 52.859 52.037 0.159 0.000 0.735 305 A CB -0.968 18.219 19.000 0.312 0.000 0.802 305 A HN 1.043 nan 8.150 nan 0.000 0.467 306 G N -0.538 108.279 108.800 0.028 0.000 3.320 306 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.430 306 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.430 306 G C 0.339 175.044 174.900 -0.324 0.000 0.806 306 G CA 0.085 45.143 45.100 -0.070 0.000 0.746 306 G HN 1.120 nan 8.290 nan 0.000 0.414 307 L N 1.633 122.329 121.223 -0.878 0.000 2.184 307 L HA -0.305 4.035 4.340 -0.000 0.000 0.236 307 L C 2.709 179.269 176.870 -0.517 0.000 1.120 307 L CA 3.416 57.666 54.840 -0.983 0.000 0.844 307 L CB -0.471 40.676 42.059 -1.519 0.000 0.932 307 L HN 0.807 nan 8.230 nan 0.000 0.450 308 E N -0.474 119.483 120.200 -0.405 0.000 2.055 308 E HA -0.314 4.036 4.350 -0.000 0.000 0.209 308 E C 2.343 178.826 176.600 -0.194 0.000 1.036 308 E CA 2.019 58.261 56.400 -0.262 0.000 0.849 308 E CB -0.555 29.029 29.700 -0.193 0.000 0.767 308 E HN 0.589 nan 8.360 nan 0.000 0.461 309 R N 0.355 120.774 120.500 -0.136 0.000 2.073 309 R HA -0.132 4.208 4.340 -0.000 0.000 0.234 309 R C 2.334 178.621 176.300 -0.022 0.000 1.134 309 R CA 1.420 57.495 56.100 -0.042 0.000 0.952 309 R CB -0.315 29.993 30.300 0.013 0.000 0.850 309 R HN 0.177 nan 8.270 nan 0.000 0.433 310 A N 1.509 124.261 122.820 -0.113 0.000 1.896 310 A HA -0.243 4.077 4.320 -0.000 0.000 0.220 310 A C 2.246 179.687 177.584 -0.239 0.000 1.206 310 A CA 2.007 53.848 52.037 -0.327 0.000 0.647 310 A CB -0.909 17.669 19.000 -0.702 0.000 0.828 310 A HN 0.368 nan 8.150 nan 0.000 0.455 311 L N -0.826 120.244 121.223 -0.255 0.000 1.989 311 L HA -0.192 4.148 4.340 -0.000 0.000 0.211 311 L C 2.822 179.709 176.870 0.028 0.000 1.071 311 L CA 1.656 56.372 54.840 -0.207 0.000 0.749 311 L CB -0.887 40.863 42.059 -0.515 0.000 0.890 311 L HN 0.335 nan 8.230 nan 0.000 0.431 312 S N -0.170 115.520 115.700 -0.017 0.000 2.387 312 S HA -0.166 4.304 4.470 -0.000 0.000 0.230 312 S C 2.071 176.752 174.600 0.136 0.000 1.035 312 S CA 1.382 59.617 58.200 0.057 0.000 1.014 312 S CB -0.382 62.827 63.200 0.015 0.000 0.836 312 S HN 0.191 nan 8.310 nan 0.000 0.466 313 V N 1.916 121.934 119.914 0.173 0.000 2.233 313 V HA -0.165 3.955 4.120 -0.000 0.000 0.247 313 V C 2.539 178.773 176.094 0.234 0.000 1.050 313 V CA 1.686 64.125 62.300 0.233 0.000 1.010 313 V CB -0.632 31.441 31.823 0.416 0.000 0.637 313 V HN 0.357 nan 8.190 nan 0.000 0.444 314 E N 0.087 120.460 120.200 0.289 0.000 2.160 314 E HA -0.165 4.185 4.350 -0.000 0.000 0.195 314 E C 2.317 179.054 176.600 0.228 0.000 0.991 314 E CA 1.715 58.272 56.400 0.262 0.000 0.810 314 E CB -0.626 29.250 29.700 0.293 0.000 0.742 314 E HN 0.622 nan 8.360 nan 0.000 0.466 315 T N 0.737 115.496 114.554 0.342 0.000 2.812 315 T HA -0.069 4.281 4.350 -0.000 0.000 0.264 315 T C 2.112 176.940 174.700 0.213 0.000 1.042 315 T CA 1.158 63.460 62.100 0.336 0.000 1.140 315 T CB -0.134 68.986 68.868 0.420 0.000 0.870 315 T HN -0.016 nan 8.240 nan 0.000 0.445 316 V N 1.694 121.696 119.914 0.147 0.000 2.343 316 V HA -0.166 3.954 4.120 -0.000 0.000 0.247 316 V C 2.596 178.717 176.094 0.045 0.000 1.051 316 V CA 1.643 63.979 62.300 0.061 0.000 1.036 316 V CB -0.651 31.188 31.823 0.026 0.000 0.654 316 V HN 0.362 nan 8.190 nan 0.000 0.451 317 R N 0.370 120.915 120.500 0.076 0.000 2.073 317 R HA -0.181 4.159 4.340 -0.000 0.000 0.234 317 R C 2.369 178.720 176.300 0.085 0.000 1.134 317 R CA 1.768 57.916 56.100 0.081 0.000 0.952 317 R CB -0.501 29.851 30.300 0.086 0.000 0.850 317 R HN 0.480 nan 8.270 nan 0.000 0.433 318 A N 0.931 123.797 122.820 0.077 0.000 1.908 318 A HA -0.151 4.168 4.320 -0.000 0.000 0.218 318 A C 2.340 179.940 177.584 0.026 0.000 1.181 318 A CA 1.855 53.913 52.037 0.034 0.000 0.627 318 A CB -0.813 18.201 19.000 0.024 0.000 0.818 318 A HN 0.551 nan 8.150 nan 0.000 0.445 319 A N -2.058 120.805 122.820 0.071 0.000 2.131 319 A HA 0.035 4.355 4.320 -0.000 0.000 0.220 319 A C 1.825 179.429 177.584 0.033 0.000 1.158 319 A CA 1.719 53.780 52.037 0.040 0.000 0.665 319 A CB -0.511 18.489 19.000 0.000 0.000 0.795 319 A HN 0.791 nan 8.150 nan 0.000 0.460 320 F N 0.404 120.266 119.950 -0.147 0.000 2.479 320 F HA 0.026 4.553 4.527 -0.000 0.000 0.280 320 F C 2.576 178.221 175.800 -0.259 0.000 0.982 320 F CA 1.816 59.649 58.000 -0.278 0.000 1.276 320 F CB -0.796 38.068 39.000 -0.227 0.000 1.137 320 F HN 0.221 nan 8.300 nan 0.000 0.660 321 T N -1.833 112.447 114.554 -0.457 0.000 2.622 321 T HA 0.132 4.482 4.350 -0.000 0.000 0.266 321 T C 1.964 176.460 174.700 -0.340 0.000 1.047 321 T CA 1.973 63.779 62.100 -0.491 0.000 1.159 321 T CB -1.060 67.675 68.868 -0.222 0.000 0.863 321 T HN 0.914 nan 8.240 nan 0.000 0.422 322 G N 1.029 109.706 108.800 -0.206 0.000 2.336 322 G HA2 0.173 4.133 3.960 -0.000 0.000 0.194 322 G HA3 0.173 4.133 3.960 -0.000 0.000 0.194 322 G C 0.293 175.126 174.900 -0.111 0.000 0.999 322 G CA -0.026 44.983 45.100 -0.152 0.000 0.669 322 G HN 1.131 nan 8.290 nan 0.000 0.482 323 A N 1.368 124.134 122.820 -0.092 0.000 2.477 323 A HA 0.645 4.965 4.320 -0.000 0.000 0.246 323 A C -1.972 175.561 177.584 -0.084 0.000 1.078 323 A CA -0.527 51.475 52.037 -0.058 0.000 0.770 323 A CB 0.024 19.035 19.000 0.019 0.000 1.011 323 A HN 0.159 nan 8.150 nan 0.000 0.494 324 P HA 0.268 nan 4.420 nan 0.000 0.281 324 P C -2.046 175.120 177.300 -0.223 0.000 1.252 324 P CA -1.213 61.749 63.100 -0.231 0.000 0.778 324 P CB 0.568 32.112 31.700 -0.261 0.000 0.895 325 P HA -0.194 nan 4.420 nan 0.000 0.215 325 P C 1.514 178.576 177.300 -0.397 0.000 1.157 325 P CA 1.728 64.591 63.100 -0.394 0.000 0.868 325 P CB -0.382 30.861 31.700 -0.761 0.000 0.788 326 G N 0.832 109.418 108.800 -0.357 0.000 3.645 326 G HA2 -0.314 3.645 3.960 -0.000 0.000 0.296 326 G HA3 -0.314 3.645 3.960 -0.000 0.000 0.296 326 G C -0.793 173.979 174.900 -0.213 0.000 1.048 326 G CA 2.380 47.339 45.100 -0.235 0.000 0.970 326 G HN 0.236 nan 8.290 nan 0.000 1.298 327 P HA -0.133 nan 4.420 nan 0.000 0.216 327 P C 1.559 178.613 177.300 -0.409 0.000 1.153 327 P CA 1.941 64.755 63.100 -0.476 0.000 0.858 327 P CB -0.230 30.991 31.700 -0.799 0.000 0.789 328 W N -1.164 120.104 121.300 -0.053 0.000 2.378 328 W HA -0.103 4.556 4.660 -0.000 0.000 0.313 328 W C 2.679 179.226 176.519 0.048 0.000 1.197 328 W CA 0.722 58.059 57.345 -0.013 0.000 1.304 328 W CB -1.369 28.078 29.460 -0.022 0.000 1.148 328 W HN 0.143 nan 8.180 nan 0.000 0.494 329 H N -0.413 118.759 119.070 0.169 0.000 2.390 329 H HA -0.223 4.333 4.556 -0.000 0.000 0.298 329 H C 1.980 177.322 175.328 0.024 0.000 1.106 329 H CA 1.410 57.498 56.048 0.067 0.000 1.297 329 H CB 0.047 29.847 29.762 0.064 0.000 1.375 329 H HN 0.116 nan 8.280 nan 0.000 0.509 330 E N 1.398 121.678 120.200 0.133 0.000 2.028 330 E HA -0.120 4.230 4.350 -0.000 0.000 0.190 330 E C 2.098 178.736 176.600 0.063 0.000 0.984 330 E CA 1.196 57.630 56.400 0.057 0.000 0.800 330 E CB 0.054 29.752 29.700 -0.003 0.000 0.758 330 E HN 0.195 nan 8.360 nan 0.000 0.448 331 K N -0.059 120.393 120.400 0.087 0.000 2.044 331 K HA -0.134 4.186 4.320 -0.000 0.000 0.210 331 K C 2.183 178.854 176.600 0.119 0.000 1.049 331 K CA 1.724 58.088 56.287 0.129 0.000 0.927 331 K CB -0.298 32.343 32.500 0.234 0.000 0.713 331 K HN 0.146 nan 8.250 nan 0.000 0.443 332 L N 0.206 121.489 121.223 0.100 0.000 1.956 332 L HA -0.266 4.073 4.340 -0.000 0.000 0.216 332 L C 2.462 179.345 176.870 0.023 0.000 1.073 332 L CA 1.600 56.435 54.840 -0.009 0.000 0.762 332 L CB -0.550 41.420 42.059 -0.149 0.000 0.889 332 L HN 0.221 nan 8.230 nan 0.000 0.433 333 R N -0.613 119.890 120.500 0.005 0.000 2.226 333 R HA -0.187 4.153 4.340 -0.000 0.000 0.246 333 R C 2.420 178.769 176.300 0.082 0.000 1.161 333 R CA 1.241 57.353 56.100 0.020 0.000 0.997 333 R CB -0.173 30.125 30.300 -0.004 0.000 0.870 333 R HN 0.371 nan 8.270 nan 0.000 0.465 334 R N -0.341 120.207 120.500 0.079 0.000 2.052 334 R HA 0.021 4.361 4.340 -0.000 0.000 0.224 334 R C 2.275 178.631 176.300 0.092 0.000 1.149 334 R CA 0.920 57.066 56.100 0.076 0.000 0.962 334 R CB -0.075 30.264 30.300 0.065 0.000 0.856 334 R HN 0.116 nan 8.270 nan 0.000 0.433 335 R N -0.045 120.518 120.500 0.105 0.000 2.094 335 R HA -0.188 4.152 4.340 -0.000 0.000 0.239 335 R C 2.122 178.493 176.300 0.120 0.000 1.137 335 R CA 1.910 58.075 56.100 0.108 0.000 0.943 335 R CB -0.563 29.813 30.300 0.126 0.000 0.850 335 R HN 0.160 nan 8.270 nan 0.000 0.433 336 F N 0.975 120.928 119.950 0.005 0.000 2.287 336 F HA -0.215 4.312 4.527 -0.000 0.000 0.301 336 F C 1.915 177.719 175.800 0.007 0.000 1.069 336 F CA 1.398 59.397 58.000 -0.002 0.000 1.372 336 F CB -0.000 38.971 39.000 -0.048 0.000 1.056 336 F HN 0.032 nan 8.300 nan 0.000 0.523 337 A N -1.882 120.995 122.820 0.094 0.000 2.275 337 A HA 0.147 4.467 4.320 -0.000 0.000 0.212 337 A C 1.952 179.527 177.584 -0.016 0.000 1.201 337 A CA 0.864 52.914 52.037 0.021 0.000 0.843 337 A CB -0.449 18.590 19.000 0.065 0.000 0.873 337 A HN 0.287 nan 8.150 nan 0.000 0.492 338 S N -0.340 115.353 115.700 -0.012 0.000 2.497 338 S HA 0.252 4.722 4.470 -0.000 0.000 0.218 338 S C 0.512 175.097 174.600 -0.025 0.000 1.023 338 S CA -0.407 57.790 58.200 -0.006 0.000 0.913 338 S CB -0.166 63.047 63.200 0.022 0.000 0.800 338 S HN 0.492 nan 8.310 nan 0.000 0.505 339 L N 3.208 124.394 121.223 -0.062 0.000 2.660 339 L HA 0.054 4.394 4.340 -0.000 0.000 0.272 339 L C -1.857 174.980 176.870 -0.056 0.000 1.194 339 L CA -0.878 53.928 54.840 -0.058 0.000 0.945 339 L CB -0.001 41.980 42.059 -0.132 0.000 1.212 339 L HN 0.030 nan 8.230 nan 0.000 0.490 340 P HA -0.023 nan 4.420 nan 0.000 0.239 340 P C -0.325 176.971 177.300 -0.007 0.000 1.184 340 P CA 0.993 64.081 63.100 -0.020 0.000 0.760 340 P CB 0.075 31.762 31.700 -0.023 0.000 0.884 341 I N -6.603 113.980 120.570 0.023 0.000 2.827 341 I HA 0.469 4.639 4.170 -0.000 0.000 0.298 341 I C 0.119 176.307 176.117 0.118 0.000 1.235 341 I CA -1.126 60.223 61.300 0.082 0.000 1.021 341 I CB 2.759 40.844 38.000 0.142 0.000 1.259 341 I HN -0.495 nan 8.210 nan 0.000 0.427 342 K N 1.175 121.554 120.400 -0.035 0.000 2.425 342 K HA 0.249 4.569 4.320 -0.000 0.000 0.201 342 K C 0.304 176.641 176.600 -0.439 0.000 1.128 342 K CA 0.621 56.714 56.287 -0.324 0.000 1.000 342 K CB 0.915 33.190 32.500 -0.375 0.000 0.961 342 K HN 0.899 nan 8.250 nan 0.000 0.555 343 T N -2.902 111.513 114.554 -0.232 0.000 2.887 343 T HA 0.372 4.722 4.350 -0.000 0.000 0.292 343 T C 0.536 175.242 174.700 0.010 0.000 1.087 343 T CA -0.939 60.990 62.100 -0.286 0.000 1.009 343 T CB 1.843 70.614 68.868 -0.163 0.000 1.203 343 T HN -0.203 nan 8.240 nan 0.000 0.518 344 K N 0.060 120.453 120.400 -0.012 0.000 2.211 344 K HA 0.058 4.378 4.320 -0.000 0.000 0.203 344 K C 2.298 178.910 176.600 0.020 0.000 1.050 344 K CA 1.128 57.436 56.287 0.034 0.000 0.945 344 K CB -0.585 31.886 32.500 -0.048 0.000 0.732 344 K HN 0.778 nan 8.250 nan 0.000 0.451 345 G N 1.221 110.015 108.800 -0.010 0.000 2.470 345 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.220 345 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.220 345 G C 1.028 175.930 174.900 0.002 0.000 1.121 345 G CA 0.457 45.551 45.100 -0.010 0.000 0.766 345 G HN 0.339 nan 8.290 nan 0.000 0.553 346 E N -0.682 119.527 120.200 0.014 0.000 2.427 346 E HA 0.057 4.407 4.350 -0.000 0.000 0.196 346 E C 0.275 176.894 176.600 0.032 0.000 1.028 346 E CA -0.542 55.871 56.400 0.021 0.000 0.864 346 E CB 0.084 29.800 29.700 0.026 0.000 0.813 346 E HN 0.198 nan 8.360 nan 0.000 0.514 347 L N 1.053 122.302 121.223 0.044 0.000 2.601 347 L HA -0.079 4.261 4.340 -0.000 0.000 0.277 347 L C 1.201 178.093 176.870 0.036 0.000 1.219 347 L CA 0.381 55.251 54.840 0.050 0.000 0.915 347 L CB 0.682 42.782 42.059 0.068 0.000 1.160 347 L HN -0.028 nan 8.230 nan 0.000 0.494 348 A N 4.368 127.213 122.820 0.042 0.000 2.186 348 A HA 0.061 4.381 4.320 -0.000 0.000 0.219 348 A C 0.664 178.273 177.584 0.041 0.000 1.159 348 A CA 0.874 52.938 52.037 0.045 0.000 0.680 348 A CB -0.155 18.882 19.000 0.062 0.000 0.787 348 A HN 0.426 nan 8.150 nan 0.000 0.467 349 V N 0.654 120.586 119.914 0.031 0.000 2.569 349 V HA 0.284 4.404 4.120 -0.000 0.000 0.301 349 V C -0.658 175.404 176.094 -0.053 0.000 1.044 349 V CA -0.691 61.601 62.300 -0.014 0.000 0.874 349 V CB 1.826 33.687 31.823 0.063 0.000 1.002 349 V HN 0.681 nan 8.190 nan 0.000 0.424 350 N N 3.431 122.061 118.700 -0.117 0.000 2.482 350 N HA 0.486 5.225 4.740 -0.000 0.000 0.279 350 N C 1.329 176.747 175.510 -0.153 0.000 1.182 350 N CA 0.185 53.171 53.050 -0.105 0.000 0.969 350 N CB 1.754 40.187 38.487 -0.089 0.000 1.201 350 N HN 0.511 nan 8.380 nan 0.000 0.523 351 G N 0.196 108.923 108.800 -0.121 0.000 2.475 351 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.220 351 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.220 351 G C 1.010 175.810 174.900 -0.167 0.000 1.125 351 G CA 0.620 45.631 45.100 -0.148 0.000 0.755 351 G HN 0.673 nan 8.290 nan 0.000 0.565 352 K N 0.171 120.481 120.400 -0.150 0.000 2.439 352 K HA -0.002 4.318 4.320 -0.000 0.000 0.197 352 K C 1.489 177.952 176.600 -0.228 0.000 1.041 352 K CA 0.726 56.930 56.287 -0.137 0.000 0.970 352 K CB 0.115 32.555 32.500 -0.100 0.000 0.773 352 K HN 0.213 nan 8.250 nan 0.000 0.479 353 D N 0.221 120.396 120.400 -0.375 0.000 2.213 353 D HA -0.067 4.573 4.640 -0.000 0.000 0.205 353 D C 1.707 177.411 176.300 -0.994 0.000 0.961 353 D CA 0.694 54.220 54.000 -0.791 0.000 0.853 353 D CB 0.339 40.607 40.800 -0.887 0.000 0.967 353 D HN -0.082 nan 8.370 nan 0.000 0.496 354 V N 0.986 120.656 119.914 -0.407 0.000 2.951 354 V HA -0.056 4.064 4.120 -0.000 0.000 0.255 354 V C 2.235 178.481 176.094 0.253 0.000 1.088 354 V CA 0.542 62.867 62.300 0.041 0.000 1.109 354 V CB 0.109 31.964 31.823 0.053 0.000 0.724 354 V HN 0.122 nan 8.190 nan 0.000 0.471 355 I N -0.005 120.626 120.570 0.102 0.000 2.206 355 I HA -0.143 4.027 4.170 -0.000 0.000 0.239 355 I C 2.311 178.568 176.117 0.234 0.000 1.078 355 I CA 1.423 62.868 61.300 0.242 0.000 1.367 355 I CB -0.296 37.783 38.000 0.132 0.000 1.078 355 I HN 0.297 nan 8.210 nan 0.000 0.413 356 E N 0.101 120.373 120.200 0.121 0.000 2.510 356 E HA -0.224 4.126 4.350 -0.000 0.000 0.202 356 E C 1.472 178.297 176.600 0.376 0.000 1.072 356 E CA 0.996 57.495 56.400 0.165 0.000 0.883 356 E CB -0.021 29.721 29.700 0.070 0.000 0.818 356 E HN 0.397 nan 8.360 nan 0.000 0.548 357 W N -1.299 120.108 121.300 0.179 0.000 2.893 357 W HA 0.234 4.894 4.660 0.000 0.000 0.253 357 W C 0.797 177.437 176.519 0.202 0.000 1.171 357 W CA -0.133 57.352 57.345 0.233 0.000 1.480 357 W CB 0.306 29.943 29.460 0.295 0.000 0.963 357 W HN -0.154 nan 8.180 nan 0.000 0.637 358 V N 0.908 121.078 119.914 0.427 0.000 3.039 358 V HA 0.317 4.437 4.120 -0.000 0.000 0.369 358 V C 1.148 177.302 176.094 0.101 0.000 1.344 358 V CA 0.049 62.476 62.300 0.211 0.000 1.270 358 V CB -0.456 31.481 31.823 0.190 0.000 1.284 358 V HN 0.231 nan 8.190 nan 0.000 0.518 359 G N 2.072 110.956 108.800 0.141 0.000 2.040 359 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.246 359 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.246 359 G C 0.036 174.950 174.900 0.025 0.000 0.758 359 G CA 1.169 46.323 45.100 0.090 0.000 1.069 359 G HN 0.623 nan 8.290 nan 0.000 0.367 360 K N 1.302 121.738 120.400 0.061 0.000 2.477 360 K HA 0.672 4.992 4.320 -0.000 0.000 0.255 360 K C -2.374 174.326 176.600 0.165 0.000 0.952 360 K CA -2.062 54.213 56.287 -0.020 0.000 0.826 360 K CB 2.514 34.776 32.500 -0.397 0.000 1.331 360 K HN 0.053 nan 8.250 nan 0.000 0.437 361 P HA 0.151 nan 4.420 nan 0.000 0.275 361 P C -1.030 176.466 177.300 0.326 0.000 1.228 361 P CA -0.460 62.751 63.100 0.186 0.000 0.786 361 P CB 1.131 32.899 31.700 0.115 0.000 0.927 362 A N 2.137 125.089 122.820 0.220 0.000 2.561 362 A HA 0.451 4.771 4.320 -0.000 0.000 0.251 362 A C 0.853 178.536 177.584 0.165 0.000 1.062 362 A CA 1.092 53.225 52.037 0.161 0.000 0.761 362 A CB -1.045 17.995 19.000 0.067 0.000 0.986 362 A HN 0.807 nan 8.150 nan 0.000 0.510 363 G N 1.796 110.663 108.800 0.112 0.000 2.706 363 G HA2 0.563 4.523 3.960 -0.000 0.000 0.307 363 G HA3 0.563 4.523 3.960 -0.000 0.000 0.307 363 G C -2.293 172.588 174.900 -0.032 0.000 1.307 363 G CA -0.193 44.981 45.100 0.123 0.000 0.790 363 G HN 0.302 nan 8.290 nan 0.000 0.503 364 P HA 0.015 nan 4.420 nan 0.000 0.217 364 P C 1.805 179.104 177.300 -0.002 0.000 1.151 364 P CA 1.218 64.328 63.100 0.017 0.000 0.828 364 P CB -0.010 31.733 31.700 0.072 0.000 0.788 365 W N 0.087 121.403 121.300 0.026 0.000 2.359 365 W HA -0.146 4.514 4.660 -0.000 0.000 0.275 365 W C 1.030 177.572 176.519 0.038 0.000 1.217 365 W CA 0.507 57.869 57.345 0.028 0.000 1.196 365 W CB -1.657 27.817 29.460 0.024 0.000 1.129 365 W HN -0.204 nan 8.180 nan 0.000 0.566 366 V N 2.196 121.404 119.914 -1.177 0.000 2.261 366 V HA -0.338 3.782 4.120 -0.000 0.000 0.246 366 V C 2.891 178.723 176.094 -0.437 0.000 1.047 366 V CA 2.677 64.301 62.300 -1.127 0.000 1.015 366 V CB -1.118 30.179 31.823 -0.876 0.000 0.642 366 V HN 0.135 nan 8.190 nan 0.000 0.446 367 K N 0.315 120.565 120.400 -0.250 0.000 2.001 367 K HA -0.320 4.000 4.320 -0.000 0.000 0.223 367 K C 2.120 178.696 176.600 -0.039 0.000 1.055 367 K CA 2.550 58.783 56.287 -0.091 0.000 0.965 367 K CB -0.426 32.052 32.500 -0.037 0.000 0.730 367 K HN 0.532 nan 8.250 nan 0.000 0.449 368 E N -0.244 119.949 120.200 -0.012 0.000 2.236 368 E HA -0.285 4.065 4.350 -0.000 0.000 0.205 368 E C 1.820 178.449 176.600 0.048 0.000 1.028 368 E CA 1.368 57.791 56.400 0.037 0.000 0.827 368 E CB -0.172 29.576 29.700 0.081 0.000 0.735 368 E HN 0.509 nan 8.360 nan 0.000 0.470 369 A N 0.843 123.678 122.820 0.024 0.000 1.826 369 A HA -0.134 4.186 4.320 -0.000 0.000 0.214 369 A C 2.177 179.815 177.584 0.090 0.000 1.212 369 A CA 1.034 53.121 52.037 0.083 0.000 0.605 369 A CB -0.787 18.235 19.000 0.038 0.000 0.861 369 A HN 0.127 nan 8.150 nan 0.000 0.447 370 L N 0.237 121.487 121.223 0.046 0.000 2.043 370 L HA -0.246 4.094 4.340 -0.000 0.000 0.212 370 L C 2.314 179.263 176.870 0.132 0.000 1.075 370 L CA 1.837 56.736 54.840 0.098 0.000 0.752 370 L CB -0.744 41.356 42.059 0.069 0.000 0.891 370 L HN 0.529 nan 8.230 nan 0.000 0.432 371 D N 0.149 120.613 120.400 0.106 0.000 2.411 371 D HA -0.155 4.484 4.640 -0.000 0.000 0.226 371 D C 1.511 177.644 176.300 -0.277 0.000 0.988 371 D CA 1.132 55.158 54.000 0.043 0.000 0.938 371 D CB 0.418 41.276 40.800 0.096 0.000 0.883 371 D HN 0.423 nan 8.370 nan 0.000 0.525 372 A N -0.626 122.108 122.820 -0.144 0.000 2.456 372 A HA 0.231 4.551 4.320 -0.000 0.000 0.237 372 A C 1.990 179.529 177.584 -0.075 0.000 1.217 372 A CA -0.337 51.613 52.037 -0.145 0.000 0.962 372 A CB 0.162 19.192 19.000 0.050 0.000 1.079 372 A HN 0.184 nan 8.150 nan 0.000 0.536 373 I N 0.012 120.570 120.570 -0.019 0.000 2.333 373 I HA -0.161 4.009 4.170 -0.000 0.000 0.246 373 I C 2.627 178.631 176.117 -0.188 0.000 1.106 373 I CA 1.193 62.454 61.300 -0.065 0.000 1.411 373 I CB -0.392 37.684 38.000 0.125 0.000 1.082 373 I HN 0.795 nan 8.210 nan 0.000 0.420 374 W N 2.234 123.439 121.300 -0.159 0.000 2.378 374 W HA -0.096 4.564 4.660 0.000 0.000 0.313 374 W C 2.052 178.372 176.519 -0.331 0.000 1.197 374 W CA 0.496 57.679 57.345 -0.269 0.000 1.304 374 W CB -1.239 28.038 29.460 -0.304 0.000 1.148 374 W HN -0.038 nan 8.180 nan 0.000 0.494 375 R N 1.188 121.038 120.500 -1.082 0.000 2.332 375 R HA -0.139 4.201 4.340 -0.000 0.000 0.239 375 R C 2.256 178.273 176.300 -0.471 0.000 1.160 375 R CA 1.655 57.127 56.100 -1.046 0.000 1.020 375 R CB -0.293 29.338 30.300 -1.114 0.000 0.859 375 R HN 0.397 nan 8.270 nan 0.000 0.478 376 A N -0.823 121.737 122.820 -0.433 0.000 2.127 376 A HA 0.085 4.404 4.320 -0.000 0.000 0.204 376 A C 1.984 179.320 177.584 -0.413 0.000 1.243 376 A CA -0.129 51.638 52.037 -0.450 0.000 0.887 376 A CB 0.380 18.888 19.000 -0.819 0.000 0.933 376 A HN 0.065 nan 8.150 nan 0.000 0.479 377 V N -0.143 119.569 119.914 -0.338 0.000 2.323 377 V HA -0.183 3.937 4.120 -0.000 0.000 0.244 377 V C 2.495 178.508 176.094 -0.136 0.000 1.041 377 V CA 2.023 64.195 62.300 -0.213 0.000 1.025 377 V CB -0.876 30.869 31.823 -0.130 0.000 0.656 377 V HN 0.293 nan 8.190 nan 0.000 0.451 378 V N 0.664 120.509 119.914 -0.115 0.000 2.332 378 V HA -0.215 3.905 4.120 -0.000 0.000 0.248 378 V C 1.973 178.040 176.094 -0.046 0.000 1.055 378 V CA 1.957 64.216 62.300 -0.068 0.000 1.038 378 V CB -0.725 31.063 31.823 -0.058 0.000 0.651 378 V HN 0.589 nan 8.190 nan 0.000 0.450 379 N N 0.007 118.656 118.700 -0.084 0.000 2.383 379 N HA 0.062 4.802 4.740 -0.000 0.000 0.192 379 N C 1.415 176.891 175.510 -0.058 0.000 1.141 379 N CA 0.925 53.943 53.050 -0.055 0.000 0.851 379 N CB 0.651 39.097 38.487 -0.068 0.000 0.976 379 N HN 0.606 nan 8.380 nan 0.000 0.465 380 G N 1.477 110.229 108.800 -0.079 0.000 2.198 380 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.260 380 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.260 380 G C 0.782 175.631 174.900 -0.084 0.000 1.025 380 G CA 0.565 45.623 45.100 -0.071 0.000 0.769 380 G HN 0.457 nan 8.290 nan 0.000 0.507 381 E N -1.455 118.664 120.200 -0.135 0.000 2.086 381 E HA 0.276 4.626 4.350 -0.000 0.000 0.190 381 E C 1.083 177.580 176.600 -0.171 0.000 0.975 381 E CA 1.051 57.375 56.400 -0.126 0.000 0.813 381 E CB 0.568 30.189 29.700 -0.132 0.000 0.768 381 E HN 0.558 nan 8.360 nan 0.000 0.457 382 V N 1.479 121.211 119.914 -0.303 0.000 2.789 382 V HA 0.130 4.250 4.120 -0.000 0.000 0.311 382 V C -0.787 175.194 176.094 -0.189 0.000 1.073 382 V CA -0.841 61.288 62.300 -0.284 0.000 0.921 382 V CB 1.979 33.456 31.823 -0.576 0.000 1.009 382 V HN 0.063 nan 8.190 nan 0.000 0.426 383 E N 3.148 123.291 120.200 -0.095 0.000 2.478 383 E HA -0.075 4.275 4.350 -0.000 0.000 0.262 383 E C -0.393 176.174 176.600 -0.056 0.000 1.243 383 E CA 0.265 56.632 56.400 -0.055 0.000 1.039 383 E CB 0.332 30.023 29.700 -0.013 0.000 0.983 383 E HN 0.642 nan 8.360 nan 0.000 0.479 384 N N 1.025 119.710 118.700 -0.025 0.000 2.839 384 N HA -0.001 4.739 4.740 -0.000 0.000 0.314 384 N C -1.292 174.234 175.510 0.026 0.000 1.449 384 N CA 0.059 53.107 53.050 -0.004 0.000 1.050 384 N CB 0.321 38.806 38.487 -0.004 0.000 1.364 384 N HN 0.288 nan 8.380 nan 0.000 0.512 385 E N 0.597 120.822 120.200 0.042 0.000 2.212 385 E HA 0.153 4.503 4.350 -0.000 0.000 0.268 385 E C 0.309 176.983 176.600 0.124 0.000 0.902 385 E CA -0.400 56.041 56.400 0.068 0.000 0.779 385 E CB 1.526 31.258 29.700 0.054 0.000 1.172 385 E HN 0.164 nan 8.360 nan 0.000 0.409 386 K N 2.502 122.992 120.400 0.150 0.000 1.990 386 K HA -0.310 4.010 4.320 -0.000 0.000 0.225 386 K C 1.587 178.364 176.600 0.294 0.000 1.053 386 K CA 2.395 58.834 56.287 0.254 0.000 0.982 386 K CB -0.137 32.491 32.500 0.214 0.000 0.734 386 K HN 0.540 nan 8.250 nan 0.000 0.448 387 E N 0.301 120.614 120.200 0.188 0.000 2.095 387 E HA -0.279 4.071 4.350 -0.000 0.000 0.212 387 E C 2.039 178.743 176.600 0.172 0.000 1.044 387 E CA 2.262 58.746 56.400 0.141 0.000 0.857 387 E CB -0.053 29.699 29.700 0.086 0.000 0.764 387 E HN 0.237 nan 8.360 nan 0.000 0.462 388 R N -0.409 120.177 120.500 0.143 0.000 2.092 388 R HA 0.011 4.351 4.340 -0.000 0.000 0.231 388 R C 2.558 178.960 176.300 0.171 0.000 1.119 388 R CA 1.417 57.593 56.100 0.128 0.000 0.970 388 R CB -0.252 30.096 30.300 0.079 0.000 0.864 388 R HN 0.327 nan 8.270 nan 0.000 0.440 389 I N -0.151 120.541 120.570 0.203 0.000 2.335 389 I HA -0.323 3.847 4.170 -0.000 0.000 0.251 389 I C 2.075 178.392 176.117 0.334 0.000 1.129 389 I CA 1.157 62.628 61.300 0.286 0.000 1.402 389 I CB -0.357 37.834 38.000 0.319 0.000 1.069 389 I HN 0.214 nan 8.210 nan 0.000 0.424 390 Y N 2.065 122.382 120.300 0.028 0.000 2.036 390 Y HA -0.346 4.204 4.550 -0.000 0.000 0.273 390 Y C 2.645 178.414 175.900 -0.219 0.000 1.135 390 Y CA 1.654 59.474 58.100 -0.466 0.000 1.106 390 Y CB -0.800 37.209 38.460 -0.752 0.000 0.976 390 Y HN 0.105 nan 8.280 nan 0.000 0.483 391 A N 0.129 122.827 122.820 -0.202 0.000 1.896 391 A HA -0.344 3.976 4.320 -0.000 0.000 0.220 391 A C 2.183 179.681 177.584 -0.143 0.000 1.206 391 A CA 2.287 54.194 52.037 -0.217 0.000 0.647 391 A CB -2.022 16.973 19.000 -0.009 0.000 0.828 391 A HN 0.874 nan 8.150 nan 0.000 0.455 392 W N 0.152 121.366 121.300 -0.143 0.000 2.318 392 W HA -0.051 4.609 4.660 -0.000 0.000 0.313 392 W C 0.992 177.447 176.519 -0.107 0.000 1.221 392 W CA 1.565 58.855 57.345 -0.092 0.000 1.266 392 W CB -0.476 28.964 29.460 -0.034 0.000 1.150 392 W HN 0.313 nan 8.180 nan 0.000 0.496 396 R N 0.652 120.887 120.500 -0.442 0.000 2.223 396 R HA 0.187 4.527 4.340 -0.000 0.000 0.198 396 R C 1.160 177.275 176.300 -0.308 0.000 0.984 396 R CA 1.076 56.897 56.100 -0.465 0.000 1.018 396 R CB 0.088 29.890 30.300 -0.830 0.000 0.945 396 R HN -0.098 nan 8.270 nan 0.000 0.479 397 N N 1.537 120.081 118.700 -0.260 0.000 2.354 397 N HA -0.100 4.640 4.740 -0.000 0.000 0.179 397 N C 1.443 176.867 175.510 -0.143 0.000 1.021 397 N CA 1.297 54.242 53.050 -0.175 0.000 0.887 397 N CB -0.032 38.371 38.487 -0.139 0.000 0.974 397 N HN 0.472 nan 8.380 nan 0.000 0.437 398 R N -0.614 119.797 120.500 -0.148 0.000 2.276 398 R HA 0.187 4.527 4.340 -0.000 0.000 0.203 398 R C 1.293 177.528 176.300 -0.108 0.000 1.017 398 R CA 0.972 57.002 56.100 -0.116 0.000 1.010 398 R CB -0.559 29.676 30.300 -0.108 0.000 0.900 398 R HN -0.135 nan 8.270 nan 0.000 0.469 399 T N 0.972 115.449 114.554 -0.128 0.000 2.985 399 T HA 0.069 4.419 4.350 -0.000 0.000 0.266 399 T C 1.352 175.995 174.700 -0.095 0.000 1.076 399 T CA 0.711 62.744 62.100 -0.112 0.000 1.135 399 T CB -0.009 68.778 68.868 -0.135 0.000 0.890 399 T HN 0.303 nan 8.240 nan 0.000 0.480 400 R N 1.166 121.605 120.500 -0.101 0.000 2.319 400 R HA 0.118 4.458 4.340 -0.000 0.000 0.204 400 R C 1.261 177.520 176.300 -0.068 0.000 0.954 400 R CA 0.488 56.540 56.100 -0.079 0.000 1.066 400 R CB 0.138 30.390 30.300 -0.080 0.000 0.991 400 R HN 0.425 nan 8.270 nan 0.000 0.486 401 E N 0.186 120.344 120.200 -0.070 0.000 2.434 401 E HA 0.052 4.401 4.350 -0.000 0.000 0.207 401 E C 1.182 177.751 176.600 -0.052 0.000 0.929 401 E CA 0.243 56.606 56.400 -0.060 0.000 1.001 401 E CB 0.498 30.159 29.700 -0.065 0.000 1.016 401 E HN 0.187 nan 8.360 nan 0.000 0.502 402 K N 0.732 121.099 120.400 -0.054 0.000 2.314 402 K HA 0.110 4.430 4.320 -0.000 0.000 0.198 402 K C 1.649 178.224 176.600 -0.041 0.000 1.045 402 K CA 0.170 56.430 56.287 -0.046 0.000 0.988 402 K CB 0.284 32.755 32.500 -0.049 0.000 0.783 402 K HN -0.058 nan 8.250 nan 0.000 0.484 403 N N 0.478 119.152 118.700 -0.044 0.000 2.333 403 N HA -0.051 4.689 4.740 -0.000 0.000 0.178 403 N C 0.975 176.466 175.510 -0.032 0.000 1.018 403 N CA 0.781 53.808 53.050 -0.037 0.000 0.882 403 N CB 0.186 38.649 38.487 -0.040 0.000 0.984 403 N HN 0.270 nan 8.380 nan 0.000 0.434 404 C N 0.000 119.280 119.300 -0.033 0.000 2.653 404 C HA 0.000 4.460 4.460 -0.000 0.000 0.325 404 C CA 0.000 59.001 59.018 -0.029 0.000 1.963 404 C CB 0.000 27.723 27.740 -0.028 0.000 2.134 404 C HN 0.000 nan 8.230 nan 0.000 0.568