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 1kxt_1_C DATA FIRST_RESID 1 DATA SEQUENCE QYAPQTQSGR TSIVHLFEWR WVDIALEcER YLGPKGFGGV QVSPPNENIV DATA SEQUENCE VTNPSRPWWE RYQPVSYKLc TRSGNENEFR DMVTRcNNVG VRIYVDAVIN DATA SEQUENCE HMCGSGAAAG TGTTcGSYCN PGSREFPAVP YSAWDFNDGK cKTASGGIES DATA SEQUENCE YNDPYQVRDc QLVGLLDLAL EKDYVRSMIA DYLNKLIDIG VAGFRIDASK DATA SEQUENCE HMWPGDIKAV LDKLHNLNTN WFPAGSRPFI FQEVIDLGGE AIKSSEYFGN DATA SEQUENCE GRVTEFKYGA KLGTVVRKWS GEKMSYLKNW GEGWGFMPSD RALVFVDNHD DATA SEQUENCE NQRGHGAGGS SILTFWDARL YKIAVGFMLA HPYGFTRVMS SYRWARNFVN DATA SEQUENCE GEDVNDWIGP PNNNGVIKEV TINADTTcGN DWVcEHRWRE IRNMVWFRNV DATA SEQUENCE VDGQPFANWW DNGSNQVAFG RGNRGFIVFN NDDWQLSSTL QTGLPGGTYc DATA SEQUENCE DVISGDKVGN ScTGIKVYVS SDGTAQFSIS NSAEDPFIAI HAESKL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 Q HA 0.000 nan 4.340 nan 0.000 0.214 1 Q C 0.000 175.888 176.000 -0.187 0.000 1.003 1 Q CA 0.000 55.654 55.803 -0.249 0.000 1.022 1 Q CB 0.000 28.391 28.738 -0.578 0.000 1.108 2 Y N 0.453 120.852 120.300 0.165 0.000 2.490 2 Y HA 0.604 5.153 4.550 -0.001 0.000 0.285 2 Y C 0.665 176.684 175.900 0.199 0.000 1.117 2 Y CA 0.355 58.577 58.100 0.203 0.000 1.262 2 Y CB 0.248 38.759 38.460 0.084 0.000 1.043 2 Y HN 0.142 nan 8.280 nan 0.000 0.553 3 A N 3.182 126.119 122.820 0.194 0.000 2.396 3 A HA 0.178 4.498 4.320 -0.001 0.000 0.279 3 A C -1.302 176.058 177.584 -0.373 0.000 1.165 3 A CA -1.244 50.752 52.037 -0.068 0.000 0.824 3 A CB 0.031 19.015 19.000 -0.027 0.000 1.100 3 A HN 0.108 nan 8.150 nan 0.000 0.516 4 P HA -0.199 nan 4.420 nan 0.000 0.221 4 P C 0.011 176.957 177.300 -0.590 0.000 1.145 4 P CA 0.978 62.961 63.100 -1.862 0.000 0.795 4 P CB 0.091 30.604 31.700 -1.978 0.000 0.775 5 Q N -1.175 118.446 119.800 -0.298 0.000 2.460 5 Q HA -0.131 4.208 4.340 -0.001 0.000 0.248 5 Q C 0.443 176.489 176.000 0.077 0.000 0.847 5 Q CA 1.447 57.218 55.803 -0.053 0.000 1.214 5 Q CB -3.192 25.503 28.738 -0.072 0.000 1.523 5 Q HN 0.525 nan 8.270 nan 0.000 0.602 6 T N -2.899 111.656 114.554 0.001 0.000 2.766 6 T HA 0.313 4.663 4.350 -0.001 0.000 0.295 6 T C 0.493 175.233 174.700 0.065 0.000 1.024 6 T CA -0.490 61.662 62.100 0.087 0.000 1.018 6 T CB 1.388 70.306 68.868 0.084 0.000 1.002 6 T HN 0.249 nan 8.240 nan 0.000 0.532 7 Q N 0.805 120.638 119.800 0.056 0.000 2.311 7 Q HA 0.193 4.533 4.340 -0.001 0.000 0.272 7 Q C -0.266 175.735 176.000 0.001 0.000 1.012 7 Q CA -0.325 55.493 55.803 0.025 0.000 0.891 7 Q CB 0.324 29.067 28.738 0.008 0.000 1.201 7 Q HN 0.802 nan 8.270 nan 0.000 0.391 8 S N 2.609 118.305 115.700 -0.007 0.000 2.810 8 S HA 0.090 4.560 4.470 -0.001 0.000 0.329 8 S C 1.021 175.586 174.600 -0.057 0.000 1.231 8 S CA 0.658 58.842 58.200 -0.027 0.000 1.042 8 S CB 0.089 63.276 63.200 -0.023 0.000 0.756 8 S HN 1.032 nan 8.310 nan 0.000 0.504 9 G N 3.319 112.074 108.800 -0.076 0.000 2.213 9 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.236 9 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.236 9 G C -0.067 174.732 174.900 -0.169 0.000 0.991 9 G CA -0.344 44.677 45.100 -0.132 0.000 0.629 9 G HN 0.678 nan 8.290 nan 0.000 0.517 10 R N 1.040 121.477 120.500 -0.105 0.000 2.229 10 R HA 0.518 4.858 4.340 -0.001 0.000 0.328 10 R C 0.963 177.241 176.300 -0.037 0.000 1.009 10 R CA 0.374 56.416 56.100 -0.097 0.000 0.864 10 R CB 0.823 31.108 30.300 -0.025 0.000 1.085 10 R HN 0.311 nan 8.270 nan 0.000 0.453 11 T N -2.359 112.129 114.554 -0.110 0.000 3.129 11 T HA 0.240 4.590 4.350 -0.001 0.000 0.267 11 T C 0.330 174.790 174.700 -0.401 0.000 1.018 11 T CA -0.323 61.710 62.100 -0.112 0.000 0.903 11 T CB 0.354 69.129 68.868 -0.155 0.000 1.067 11 T HN 0.289 nan 8.240 nan 0.000 0.549 12 S N 1.168 116.687 115.700 -0.302 0.000 2.607 12 S HA 0.813 5.282 4.470 -0.001 0.000 0.273 12 S C -1.083 173.461 174.600 -0.094 0.000 1.148 12 S CA -1.100 56.839 58.200 -0.435 0.000 0.833 12 S CB 1.745 64.715 63.200 -0.382 0.000 1.130 12 S HN 0.582 nan 8.310 nan 0.000 0.470 13 I N -0.868 119.665 120.570 -0.062 0.000 2.769 13 I HA 0.883 5.052 4.170 -0.001 0.000 0.298 13 I C -0.906 175.279 176.117 0.113 0.000 1.128 13 I CA -1.348 60.026 61.300 0.125 0.000 1.031 13 I CB 1.865 39.937 38.000 0.121 0.000 1.235 13 I HN 0.457 nan 8.210 nan 0.000 0.423 14 V N 0.438 120.453 119.914 0.169 0.000 2.667 14 V HA 0.512 4.632 4.120 -0.001 0.000 0.308 14 V C -0.659 175.479 176.094 0.073 0.000 1.048 14 V CA -0.502 61.854 62.300 0.094 0.000 0.928 14 V CB 1.385 33.203 31.823 -0.009 0.000 1.004 14 V HN 0.889 nan 8.190 nan 0.000 0.444 15 H N 4.769 123.801 119.070 -0.063 0.000 2.787 15 H HA 0.489 5.045 4.556 -0.001 0.000 0.275 15 H C -0.448 174.814 175.328 -0.110 0.000 1.183 15 H CA -1.222 54.815 56.048 -0.019 0.000 1.290 15 H CB 0.568 30.340 29.762 0.018 0.000 1.438 15 H HN 0.745 nan 8.280 nan 0.000 0.487 16 L N 7.130 128.243 121.223 -0.183 0.000 2.399 16 L HA 0.125 4.464 4.340 -0.001 0.000 0.257 16 L C 0.324 177.100 176.870 -0.157 0.000 1.236 16 L CA -0.388 54.066 54.840 -0.643 0.000 1.144 16 L CB -0.685 40.748 42.059 -1.043 0.000 1.379 16 L HN 0.536 nan 8.230 nan 0.000 0.414 17 F N 4.436 124.151 119.950 -0.393 0.000 2.569 17 F HA -0.101 4.425 4.527 -0.001 0.000 0.395 17 F C 1.198 177.227 175.800 0.381 0.000 1.028 17 F CA 0.305 58.170 58.000 -0.224 0.000 1.158 17 F CB 0.198 39.019 39.000 -0.299 0.000 1.023 17 F HN 0.568 nan 8.300 nan 0.000 0.547 18 E N 2.438 122.661 120.200 0.039 0.000 3.370 18 E HA -0.294 4.056 4.350 -0.001 0.000 0.291 18 E C -0.618 176.119 176.600 0.229 0.000 0.916 18 E CA 0.846 57.252 56.400 0.009 0.000 0.981 18 E CB -1.518 28.043 29.700 -0.232 0.000 1.498 18 E HN 0.626 nan 8.360 nan 0.000 0.452 19 W N 1.783 123.071 121.300 -0.020 0.000 2.158 19 W HA 0.139 4.798 4.660 -0.001 0.000 0.339 19 W C 1.509 177.939 176.519 -0.148 0.000 1.294 19 W CA 0.195 57.426 57.345 -0.189 0.000 1.231 19 W CB 0.293 29.640 29.460 -0.188 0.000 1.143 19 W HN -0.074 nan 8.180 nan 0.000 0.571 20 R N 2.276 122.727 120.500 -0.081 0.000 2.582 20 R HA 0.097 4.437 4.340 -0.001 0.000 0.271 20 R C 1.143 177.554 176.300 0.185 0.000 1.078 20 R CA -0.395 55.610 56.100 -0.158 0.000 1.127 20 R CB 0.570 30.763 30.300 -0.178 0.000 1.038 20 R HN 0.705 nan 8.270 nan 0.000 0.500 21 W N 0.803 122.152 121.300 0.082 0.000 2.335 21 W HA -0.258 4.401 4.660 -0.001 0.000 0.311 21 W C 2.067 178.598 176.519 0.020 0.000 1.213 21 W CA 0.602 57.987 57.345 0.066 0.000 1.274 21 W CB -0.439 29.080 29.460 0.098 0.000 1.148 21 W HN 0.444 nan 8.180 nan 0.000 0.498 22 V N -1.094 118.970 119.914 0.249 0.000 2.332 22 V HA -0.307 3.813 4.120 -0.001 0.000 0.248 22 V C 1.659 177.800 176.094 0.079 0.000 1.055 22 V CA 2.301 64.674 62.300 0.121 0.000 1.038 22 V CB -1.202 30.658 31.823 0.062 0.000 0.651 22 V HN 0.047 nan 8.190 nan 0.000 0.450 23 D N 0.533 120.959 120.400 0.044 0.000 2.117 23 D HA -0.062 4.577 4.640 -0.001 0.000 0.197 23 D C 2.161 178.571 176.300 0.183 0.000 0.987 23 D CA 1.749 55.745 54.000 -0.006 0.000 0.829 23 D CB -0.228 40.406 40.800 -0.276 0.000 0.961 23 D HN 0.503 nan 8.370 nan 0.000 0.460 24 I N 1.111 121.850 120.570 0.282 0.000 2.179 24 I HA -0.259 3.911 4.170 -0.001 0.000 0.242 24 I C 2.492 178.673 176.117 0.106 0.000 1.088 24 I CA 0.900 62.345 61.300 0.242 0.000 1.357 24 I CB -0.253 37.875 38.000 0.214 0.000 1.051 24 I HN -0.078 nan 8.210 nan 0.000 0.409 25 A N 1.200 124.067 122.820 0.078 0.000 1.884 25 A HA -0.239 4.080 4.320 -0.001 0.000 0.219 25 A C 2.303 179.909 177.584 0.036 0.000 1.197 25 A CA 1.808 53.859 52.037 0.022 0.000 0.637 25 A CB -1.034 17.980 19.000 0.023 0.000 0.827 25 A HN 0.401 nan 8.150 nan 0.000 0.450 26 L N -1.380 119.877 121.223 0.056 0.000 2.056 26 L HA -0.176 4.164 4.340 -0.001 0.000 0.207 26 L C 2.657 179.574 176.870 0.079 0.000 1.078 26 L CA 1.714 56.587 54.840 0.055 0.000 0.749 26 L CB -0.470 41.613 42.059 0.040 0.000 0.901 26 L HN 0.491 nan 8.230 nan 0.000 0.433 27 E N -0.481 119.790 120.200 0.118 0.000 2.204 27 E HA -0.205 4.145 4.350 -0.001 0.000 0.195 27 E C 2.176 178.838 176.600 0.104 0.000 0.990 27 E CA 1.214 57.698 56.400 0.140 0.000 0.821 27 E CB -0.162 29.663 29.700 0.209 0.000 0.750 27 E HN 0.432 nan 8.360 nan 0.000 0.477 28 c N 0.221 118.855 118.600 0.058 0.000 2.476 28 c HA -0.027 4.543 4.570 -0.001 0.000 0.278 28 c C 2.298 176.420 174.090 0.054 0.000 1.274 28 c CA 0.966 57.316 56.329 0.035 0.000 1.713 28 c CB -0.752 41.752 42.510 -0.011 0.000 2.039 28 c HN 0.537 nan 8.230 nan 0.000 0.484 29 E N 0.749 120.979 120.200 0.050 0.000 2.046 29 E HA -0.156 4.193 4.350 -0.001 0.000 0.190 29 E C 2.295 178.936 176.600 0.069 0.000 0.982 29 E CA 0.889 57.319 56.400 0.050 0.000 0.800 29 E CB -0.243 29.479 29.700 0.037 0.000 0.756 29 E HN 0.669 nan 8.360 nan 0.000 0.449 30 R N -0.858 119.696 120.500 0.091 0.000 2.275 30 R HA -0.031 4.309 4.340 -0.001 0.000 0.199 30 R C 1.049 177.461 176.300 0.187 0.000 0.989 30 R CA 1.083 57.250 56.100 0.112 0.000 1.016 30 R CB 0.099 30.459 30.300 0.101 0.000 0.918 30 R HN 0.285 nan 8.270 nan 0.000 0.473 31 Y N -0.318 119.990 120.300 0.014 0.000 3.189 31 Y HA 0.219 4.769 4.550 -0.001 0.000 0.213 31 Y C 1.634 177.535 175.900 0.002 0.000 1.032 31 Y CA -0.315 57.786 58.100 0.001 0.000 1.482 31 Y CB 0.058 38.497 38.460 -0.035 0.000 1.460 31 Y HN -0.145 nan 8.280 nan 0.000 0.398 32 L N 0.504 121.836 121.223 0.180 0.000 1.989 32 L HA -0.162 4.178 4.340 -0.001 0.000 0.211 32 L C 2.493 179.447 176.870 0.140 0.000 1.071 32 L CA 1.901 56.777 54.840 0.060 0.000 0.749 32 L CB -1.134 40.932 42.059 0.013 0.000 0.890 32 L HN 0.520 nan 8.230 nan 0.000 0.431 33 G N 0.258 109.118 108.800 0.099 0.000 2.433 33 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.216 33 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.216 33 G C -0.621 174.350 174.900 0.119 0.000 1.186 33 G CA 0.781 45.940 45.100 0.099 0.000 0.779 33 G HN 0.326 nan 8.290 nan 0.000 0.543 34 P HA -0.035 nan 4.420 nan 0.000 0.216 34 P C 1.463 178.834 177.300 0.118 0.000 1.150 34 P CA 1.104 64.244 63.100 0.067 0.000 0.837 34 P CB 0.142 31.841 31.700 -0.002 0.000 0.786 35 K N -1.277 119.179 120.400 0.093 0.000 2.437 35 K HA 0.267 4.586 4.320 -0.001 0.000 0.198 35 K C 1.211 178.165 176.600 0.589 0.000 1.024 35 K CA 0.495 56.926 56.287 0.241 0.000 1.148 35 K CB -0.914 31.561 32.500 -0.042 0.000 0.860 35 K HN 0.178 nan 8.250 nan 0.000 0.515 36 G N 1.559 110.632 108.800 0.456 0.000 2.179 36 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.257 36 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.257 36 G C -0.119 174.847 174.900 0.110 0.000 1.010 36 G CA -0.209 44.999 45.100 0.181 0.000 0.736 36 G HN 0.216 nan 8.290 nan 0.000 0.513 37 F N 0.477 120.469 119.950 0.070 0.000 2.484 37 F HA 0.470 4.996 4.527 -0.001 0.000 0.360 37 F C 1.833 177.664 175.800 0.052 0.000 1.101 37 F CA 0.865 58.904 58.000 0.066 0.000 1.251 37 F CB 1.155 40.220 39.000 0.109 0.000 1.132 37 F HN -0.005 nan 8.300 nan 0.000 0.570 38 G N 1.498 110.403 108.800 0.176 0.000 2.408 38 G HA2 0.386 4.346 3.960 -0.001 0.000 0.215 38 G HA3 0.386 4.346 3.960 -0.001 0.000 0.215 38 G C 0.503 175.554 174.900 0.252 0.000 1.156 38 G CA 0.683 45.888 45.100 0.175 0.000 0.793 38 G HN 1.008 nan 8.290 nan 0.000 0.535 39 G N -2.049 106.938 108.800 0.311 0.000 2.550 39 G HA2 0.463 4.422 3.960 -0.001 0.000 0.293 39 G HA3 0.463 4.422 3.960 -0.001 0.000 0.293 39 G C -2.216 172.867 174.900 0.305 0.000 1.402 39 G CA -0.343 44.984 45.100 0.379 0.000 0.784 39 G HN 0.396 nan 8.290 nan 0.000 0.482 40 V N 0.649 120.735 119.914 0.286 0.000 2.577 40 V HA 0.486 4.606 4.120 -0.001 0.000 0.303 40 V C -0.168 176.097 176.094 0.286 0.000 1.042 40 V CA -0.628 61.782 62.300 0.183 0.000 0.872 40 V CB 1.591 33.432 31.823 0.029 0.000 0.998 40 V HN 0.815 nan 8.190 nan 0.000 0.423 41 Q N 3.919 123.889 119.800 0.284 0.000 2.296 41 Q HA 0.579 4.919 4.340 -0.001 0.000 0.257 41 Q C -0.656 175.555 176.000 0.351 0.000 0.942 41 Q CA -0.406 55.594 55.803 0.328 0.000 0.939 41 Q CB 1.743 30.621 28.738 0.235 0.000 1.198 41 Q HN 0.778 nan 8.270 nan 0.000 0.429 42 V N 1.306 121.418 119.914 0.331 0.000 2.713 42 V HA 0.572 4.691 4.120 -0.001 0.000 0.307 42 V C 0.071 176.458 176.094 0.489 0.000 1.052 42 V CA -0.823 61.734 62.300 0.428 0.000 0.967 42 V CB 1.667 33.700 31.823 0.349 0.000 1.019 42 V HN 0.763 nan 8.190 nan 0.000 0.459 43 S N 3.617 119.673 115.700 0.594 0.000 2.584 43 S HA 0.303 4.773 4.470 -0.001 0.000 0.270 43 S C -2.359 172.494 174.600 0.421 0.000 1.346 43 S CA -0.310 58.187 58.200 0.495 0.000 1.018 43 S CB 0.063 63.507 63.200 0.407 0.000 0.899 43 S HN 0.849 nan 8.310 nan 0.000 0.542 44 P HA 0.008 nan 4.420 nan 0.000 0.257 44 P C -1.801 175.662 177.300 0.272 0.000 1.162 44 P CA -0.582 62.617 63.100 0.165 0.000 0.762 44 P CB 0.081 31.741 31.700 -0.067 0.000 0.753 45 P HA -0.056 nan 4.420 nan 0.000 0.245 45 P C -0.145 177.252 177.300 0.163 0.000 1.203 45 P CA 0.623 63.914 63.100 0.319 0.000 0.792 45 P CB 0.229 31.847 31.700 -0.136 0.000 0.997 46 N N 0.809 119.579 118.700 0.117 0.000 2.513 46 N HA 0.029 4.769 4.740 -0.001 0.000 0.274 46 N C -0.170 175.323 175.510 -0.028 0.000 1.189 46 N CA -0.370 52.668 53.050 -0.021 0.000 0.975 46 N CB 1.251 39.626 38.487 -0.188 0.000 1.157 46 N HN -0.016 nan 8.380 nan 0.000 0.465 47 E N 0.423 120.585 120.200 -0.063 0.000 2.465 47 E HA -0.086 4.264 4.350 -0.001 0.000 0.260 47 E C -0.368 176.193 176.600 -0.064 0.000 0.980 47 E CA -0.039 56.331 56.400 -0.051 0.000 0.927 47 E CB 0.313 29.980 29.700 -0.055 0.000 0.934 47 E HN 0.722 nan 8.360 nan 0.000 0.459 48 N N 4.035 122.715 118.700 -0.034 0.000 2.453 48 N HA 0.284 5.023 4.740 -0.001 0.000 0.290 48 N C -0.155 175.353 175.510 -0.004 0.000 1.250 48 N CA -0.796 52.242 53.050 -0.019 0.000 0.815 48 N CB 0.880 39.362 38.487 -0.008 0.000 1.381 48 N HN 0.454 nan 8.380 nan 0.000 0.510 49 I N -1.241 119.340 120.570 0.018 0.000 2.575 49 I HA 0.316 4.486 4.170 -0.001 0.000 0.285 49 I C -0.061 176.056 176.117 0.000 0.000 1.085 49 I CA -0.904 60.407 61.300 0.019 0.000 1.403 49 I CB 0.842 38.869 38.000 0.046 0.000 1.409 49 I HN 0.092 nan 8.210 nan 0.000 0.557 50 V N 6.468 126.372 119.914 -0.016 0.000 2.614 50 V HA 0.174 4.293 4.120 -0.001 0.000 0.291 50 V C 0.344 176.414 176.094 -0.041 0.000 1.049 50 V CA -0.405 61.873 62.300 -0.037 0.000 1.038 50 V CB 1.292 33.093 31.823 -0.037 0.000 0.980 50 V HN 0.595 nan 8.190 nan 0.000 0.481 51 V N 4.727 124.594 119.914 -0.078 0.000 2.326 51 V HA 0.207 4.326 4.120 -0.001 0.000 0.281 51 V C 1.054 177.078 176.094 -0.117 0.000 1.015 51 V CA 0.143 62.389 62.300 -0.091 0.000 0.823 51 V CB 1.366 33.093 31.823 -0.160 0.000 1.009 51 V HN 1.092 nan 8.190 nan 0.000 0.436 52 T N 0.709 115.213 114.554 -0.083 0.000 3.067 52 T HA 0.061 4.411 4.350 -0.001 0.000 0.261 52 T C 0.672 175.306 174.700 -0.110 0.000 1.110 52 T CA 0.500 62.550 62.100 -0.083 0.000 1.113 52 T CB -0.068 68.767 68.868 -0.056 0.000 0.917 52 T HN 0.467 nan 8.240 nan 0.000 0.499 53 N N 2.231 120.857 118.700 -0.124 0.000 2.533 53 N HA 0.409 5.148 4.740 -0.001 0.000 0.289 53 N C -2.853 172.545 175.510 -0.186 0.000 1.103 53 N CA -1.517 51.432 53.050 -0.169 0.000 0.877 53 N CB 1.781 40.200 38.487 -0.114 0.000 1.419 53 N HN 0.035 nan 8.380 nan 0.000 0.517 54 P HA 0.082 nan 4.420 nan 0.000 0.271 54 P C -0.409 176.633 177.300 -0.431 0.000 1.244 54 P CA -0.369 62.319 63.100 -0.686 0.000 0.793 54 P CB 0.605 31.284 31.700 -1.702 0.000 0.984 55 S N 1.520 117.051 115.700 -0.281 0.000 2.429 55 S HA 0.072 4.542 4.470 -0.001 0.000 0.292 55 S C 0.175 174.790 174.600 0.025 0.000 1.183 55 S CA -0.426 57.736 58.200 -0.064 0.000 1.088 55 S CB -0.964 62.251 63.200 0.025 0.000 1.018 55 S HN 0.385 nan 8.310 nan 0.000 0.511 56 R N 1.745 122.193 120.500 -0.086 0.000 3.127 56 R HA -0.106 4.233 4.340 -0.001 0.000 0.247 56 R C -2.631 173.598 176.300 -0.118 0.000 0.896 56 R CA 0.303 56.336 56.100 -0.113 0.000 0.624 56 R CB -2.813 27.444 30.300 -0.071 0.000 1.154 56 R HN 0.540 nan 8.270 nan 0.000 0.474 57 P HA 0.028 nan 4.420 nan 0.000 0.276 57 P C 1.441 178.419 177.300 -0.536 0.000 1.244 57 P CA -0.597 62.252 63.100 -0.418 0.000 0.801 57 P CB 0.306 31.314 31.700 -1.154 0.000 1.006 58 W N 2.797 123.964 121.300 -0.221 0.000 2.363 58 W HA -0.103 4.556 4.660 -0.001 0.000 0.296 58 W C 1.624 178.269 176.519 0.210 0.000 1.212 58 W CA 0.799 58.146 57.345 0.004 0.000 1.260 58 W CB -1.858 27.738 29.460 0.226 0.000 1.131 58 W HN 0.470 nan 8.180 nan 0.000 0.530 59 W N 3.542 124.233 121.300 -1.014 0.000 2.961 59 W HA 0.030 4.689 4.660 -0.001 0.000 0.240 59 W C 1.424 177.877 176.519 -0.111 0.000 1.305 59 W CA 0.828 57.729 57.345 -0.739 0.000 1.465 59 W CB -1.368 27.311 29.460 -1.302 0.000 1.135 59 W HN 0.245 nan 8.180 nan 0.000 0.688 60 E N 1.778 121.935 120.200 -0.071 0.000 2.285 60 E HA -0.114 4.236 4.350 -0.001 0.000 0.194 60 E C 1.797 178.475 176.600 0.130 0.000 0.997 60 E CA 0.460 56.889 56.400 0.048 0.000 0.845 60 E CB -0.484 29.110 29.700 -0.178 0.000 0.782 60 E HN 0.220 nan 8.360 nan 0.000 0.491 61 R N -0.320 120.264 120.500 0.141 0.000 2.339 61 R HA -0.021 4.319 4.340 -0.001 0.000 0.199 61 R C 0.255 176.474 176.300 -0.135 0.000 1.018 61 R CA 0.601 56.710 56.100 0.016 0.000 1.036 61 R CB -0.049 30.249 30.300 -0.004 0.000 0.899 61 R HN 0.327 nan 8.270 nan 0.000 0.473 62 Y N 0.140 120.588 120.300 0.246 0.000 2.658 62 Y HA 0.224 4.774 4.550 -0.001 0.000 0.276 62 Y C 0.120 176.191 175.900 0.285 0.000 1.167 62 Y CA -0.174 58.102 58.100 0.294 0.000 1.230 62 Y CB 0.637 39.303 38.460 0.343 0.000 1.144 62 Y HN -0.105 nan 8.280 nan 0.000 0.529 63 Q N 1.387 121.337 119.800 0.251 0.000 2.798 63 Q HA 0.288 4.627 4.340 -0.001 0.000 0.250 63 Q C -2.774 173.277 176.000 0.085 0.000 1.006 63 Q CA -2.039 53.879 55.803 0.191 0.000 0.759 63 Q CB 1.452 30.290 28.738 0.166 0.000 1.201 63 Q HN 0.071 nan 8.270 nan 0.000 0.486 64 P HA -0.053 nan 4.420 nan 0.000 0.271 64 P C 0.488 177.675 177.300 -0.188 0.000 1.216 64 P CA 0.043 63.082 63.100 -0.103 0.000 0.776 64 P CB 1.019 32.626 31.700 -0.155 0.000 0.881 65 V N -0.248 119.562 119.914 -0.173 0.000 3.604 65 V HA 0.340 4.459 4.120 -0.001 0.000 0.277 65 V C 0.359 176.360 176.094 -0.155 0.000 1.399 65 V CA 0.777 63.034 62.300 -0.073 0.000 1.034 65 V CB -0.263 31.600 31.823 0.066 0.000 0.824 65 V HN 0.681 nan 8.190 nan 0.000 0.439 66 S N -1.434 114.062 115.700 -0.341 0.000 2.669 66 S HA 0.548 5.017 4.470 -0.001 0.000 0.266 66 S C -0.843 173.371 174.600 -0.643 0.000 1.149 66 S CA -0.216 57.698 58.200 -0.477 0.000 0.842 66 S CB 0.690 63.769 63.200 -0.202 0.000 1.160 66 S HN 0.054 nan 8.310 nan 0.000 0.487 67 Y N 0.781 120.903 120.300 -0.297 0.000 2.584 67 Y HA 0.467 5.016 4.550 -0.001 0.000 0.254 67 Y C 0.423 176.136 175.900 -0.311 0.000 1.177 67 Y CA -0.813 56.977 58.100 -0.518 0.000 1.216 67 Y CB 0.026 38.126 38.460 -0.601 0.000 1.172 67 Y HN 0.416 nan 8.280 nan 0.000 0.529 68 K N 1.084 121.446 120.400 -0.062 0.000 2.379 68 K HA 0.173 4.493 4.320 -0.001 0.000 0.284 68 K C -0.574 176.030 176.600 0.007 0.000 1.044 68 K CA -0.454 55.832 56.287 -0.003 0.000 0.974 68 K CB 0.656 33.157 32.500 0.002 0.000 0.962 68 K HN -0.063 nan 8.250 nan 0.000 0.474 69 L N 4.129 125.375 121.223 0.037 0.000 2.451 69 L HA 0.019 4.359 4.340 -0.001 0.000 0.272 69 L C -0.226 176.714 176.870 0.118 0.000 1.258 69 L CA 0.311 55.177 54.840 0.044 0.000 1.132 69 L CB -0.665 41.373 42.059 -0.034 0.000 1.361 69 L HN 0.631 nan 8.230 nan 0.000 0.438 70 c N 2.491 121.152 118.600 0.101 0.000 2.789 70 c HA 0.756 5.326 4.570 -0.001 0.000 0.367 70 c C 0.227 174.348 174.090 0.051 0.000 1.062 70 c CA 0.241 56.625 56.329 0.092 0.000 1.297 70 c CB 0.228 42.773 42.510 0.058 0.000 1.794 70 c HN 0.913 nan 8.230 nan 0.000 0.474 71 T N 2.204 116.776 114.554 0.029 0.000 2.647 71 T HA 0.491 4.840 4.350 -0.001 0.000 0.295 71 T C 0.925 175.548 174.700 -0.128 0.000 1.126 71 T CA -0.698 61.376 62.100 -0.044 0.000 1.040 71 T CB 0.912 69.758 68.868 -0.038 0.000 1.472 71 T HN 0.567 nan 8.240 nan 0.000 0.500 72 R N 0.254 120.662 120.500 -0.153 0.000 2.193 72 R HA 0.035 4.374 4.340 -0.001 0.000 0.229 72 R C 2.218 178.337 176.300 -0.302 0.000 1.110 72 R CA 1.301 57.294 56.100 -0.179 0.000 0.988 72 R CB -0.446 29.765 30.300 -0.148 0.000 0.871 72 R HN 0.513 nan 8.270 nan 0.000 0.458 73 S N -0.498 114.888 115.700 -0.522 0.000 2.489 73 S HA 0.138 4.607 4.470 -0.001 0.000 0.228 73 S C 0.730 174.691 174.600 -1.065 0.000 0.995 73 S CA 0.679 58.285 58.200 -0.990 0.000 0.934 73 S CB 0.649 62.682 63.200 -1.944 0.000 0.771 73 S HN 0.650 nan 8.310 nan 0.000 0.522 74 G N 0.716 109.154 108.800 -0.603 0.000 2.369 74 G HA2 0.128 4.088 3.960 -0.001 0.000 0.307 74 G HA3 0.128 4.088 3.960 -0.001 0.000 0.307 74 G C -1.834 173.152 174.900 0.143 0.000 1.327 74 G CA -1.122 43.873 45.100 -0.174 0.000 0.963 74 G HN 0.201 nan 8.290 nan 0.000 0.590 75 N N -0.358 118.487 118.700 0.243 0.000 2.477 75 N HA 0.456 5.195 4.740 -0.001 0.000 0.284 75 N C 1.143 176.853 175.510 0.333 0.000 1.182 75 N CA -0.171 53.021 53.050 0.236 0.000 0.949 75 N CB 1.797 40.371 38.487 0.145 0.000 1.204 75 N HN 0.815 nan 8.380 nan 0.000 0.526 76 E N 0.780 121.128 120.200 0.246 0.000 2.169 76 E HA -0.405 3.944 4.350 -0.001 0.000 0.202 76 E C 1.114 177.862 176.600 0.246 0.000 1.016 76 E CA 1.771 58.313 56.400 0.235 0.000 0.817 76 E CB -0.044 29.747 29.700 0.152 0.000 0.736 76 E HN 0.665 nan 8.360 nan 0.000 0.462 77 N N 0.631 119.449 118.700 0.197 0.000 2.058 77 N HA -0.239 4.501 4.740 -0.001 0.000 0.191 77 N C 1.437 177.051 175.510 0.173 0.000 1.037 77 N CA 1.847 54.992 53.050 0.158 0.000 0.848 77 N CB -0.685 37.876 38.487 0.124 0.000 1.021 77 N HN 0.363 nan 8.380 nan 0.000 0.422 78 E N -0.504 119.840 120.200 0.240 0.000 2.265 78 E HA -0.111 4.239 4.350 -0.001 0.000 0.196 78 E C 1.482 178.227 176.600 0.241 0.000 0.996 78 E CA 0.578 57.141 56.400 0.271 0.000 0.832 78 E CB -0.283 29.632 29.700 0.358 0.000 0.756 78 E HN 0.354 nan 8.360 nan 0.000 0.491 79 F N 1.470 121.461 119.950 0.067 0.000 2.187 79 F HA 0.016 4.543 4.527 -0.001 0.000 0.295 79 F C 2.186 177.863 175.800 -0.204 0.000 1.091 79 F CA 1.023 58.821 58.000 -0.336 0.000 1.308 79 F CB 0.175 38.964 39.000 -0.353 0.000 1.030 79 F HN -0.245 nan 8.300 nan 0.000 0.487 80 R N 0.042 120.562 120.500 0.035 0.000 2.081 80 R HA -0.175 4.164 4.340 -0.001 0.000 0.235 80 R C 1.907 178.153 176.300 -0.090 0.000 1.131 80 R CA 1.755 57.849 56.100 -0.010 0.000 0.960 80 R CB -0.715 29.642 30.300 0.094 0.000 0.856 80 R HN 0.312 nan 8.270 nan 0.000 0.436 81 D N 0.579 120.953 120.400 -0.043 0.000 2.092 81 D HA -0.224 4.415 4.640 -0.001 0.000 0.193 81 D C 1.940 178.172 176.300 -0.114 0.000 0.994 81 D CA 1.514 55.492 54.000 -0.035 0.000 0.828 81 D CB -0.009 40.800 40.800 0.017 0.000 0.963 81 D HN 0.061 nan 8.370 nan 0.000 0.450 82 M N -0.075 119.419 119.600 -0.178 0.000 2.110 82 M HA -0.234 4.246 4.480 -0.001 0.000 0.257 82 M C 2.011 178.100 176.300 -0.352 0.000 1.071 82 M CA 1.805 56.958 55.300 -0.245 0.000 1.096 82 M CB -0.315 32.081 32.600 -0.341 0.000 1.300 82 M HN 0.054 nan 8.290 nan 0.000 0.411 83 V N 0.534 120.127 119.914 -0.534 0.000 2.324 83 V HA -0.304 3.815 4.120 -0.001 0.000 0.250 83 V C 2.329 178.120 176.094 -0.504 0.000 1.060 83 V CA 2.456 64.422 62.300 -0.558 0.000 1.042 83 V CB -1.427 30.038 31.823 -0.596 0.000 0.650 83 V HN 0.639 nan 8.190 nan 0.000 0.450 84 T N -0.342 114.019 114.554 -0.321 0.000 2.737 84 T HA -0.162 4.188 4.350 -0.001 0.000 0.265 84 T C 2.067 176.692 174.700 -0.125 0.000 1.038 84 T CA 1.523 63.519 62.100 -0.173 0.000 1.144 84 T CB -0.238 68.681 68.868 0.084 0.000 0.866 84 T HN 0.436 nan 8.240 nan 0.000 0.434 85 R N 0.149 120.588 120.500 -0.103 0.000 2.096 85 R HA -0.008 4.332 4.340 -0.001 0.000 0.235 85 R C 2.735 178.973 176.300 -0.102 0.000 1.127 85 R CA 1.198 57.261 56.100 -0.061 0.000 0.968 85 R CB -0.724 29.551 30.300 -0.041 0.000 0.861 85 R HN 0.361 nan 8.270 nan 0.000 0.440 86 c N 0.676 119.167 118.600 -0.182 0.000 2.466 86 c HA 0.014 4.584 4.570 -0.001 0.000 0.278 86 c C 2.253 176.200 174.090 -0.238 0.000 1.288 86 c CA 0.361 56.581 56.329 -0.182 0.000 1.722 86 c CB -0.881 41.501 42.510 -0.214 0.000 2.017 86 c HN 0.511 nan 8.230 nan 0.000 0.488 87 N N 1.620 120.062 118.700 -0.430 0.000 2.244 87 N HA -0.084 4.656 4.740 -0.001 0.000 0.183 87 N C 1.139 176.498 175.510 -0.253 0.000 1.016 87 N CA 0.951 53.635 53.050 -0.610 0.000 0.866 87 N CB -0.535 36.975 38.487 -1.628 0.000 0.980 87 N HN 0.545 nan 8.380 nan 0.000 0.430 88 N N 0.661 119.323 118.700 -0.064 0.000 2.573 88 N HA -0.060 4.680 4.740 -0.001 0.000 0.187 88 N C 1.274 176.806 175.510 0.037 0.000 1.107 88 N CA 0.394 53.501 53.050 0.096 0.000 0.918 88 N CB 0.251 38.811 38.487 0.122 0.000 0.966 88 N HN 0.240 nan 8.380 nan 0.000 0.448 89 V N -4.928 114.980 119.914 -0.009 0.000 3.276 89 V HA 0.545 4.664 4.120 -0.001 0.000 0.319 89 V C 1.035 177.131 176.094 0.003 0.000 1.427 89 V CA -0.013 62.292 62.300 0.008 0.000 1.102 89 V CB 0.026 31.857 31.823 0.014 0.000 1.020 89 V HN 0.093 nan 8.190 nan 0.000 0.456 90 G N 0.518 109.302 108.800 -0.028 0.000 2.182 90 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.248 90 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.248 90 G C -0.155 174.733 174.900 -0.020 0.000 1.042 90 G CA 0.152 45.235 45.100 -0.029 0.000 0.775 90 G HN 0.978 nan 8.290 nan 0.000 0.501 91 V N 1.814 121.696 119.914 -0.054 0.000 2.407 91 V HA 0.550 4.669 4.120 -0.001 0.000 0.291 91 V C 0.645 176.683 176.094 -0.094 0.000 1.018 91 V CA -1.395 60.896 62.300 -0.016 0.000 0.842 91 V CB 1.487 33.316 31.823 0.010 0.000 0.996 91 V HN 0.392 nan 8.190 nan 0.000 0.426 92 R N 4.163 124.638 120.500 -0.042 0.000 2.637 92 R HA 0.536 4.876 4.340 -0.001 0.000 0.269 92 R C -0.744 175.395 176.300 -0.268 0.000 1.089 92 R CA -0.501 55.483 56.100 -0.194 0.000 1.177 92 R CB 1.011 31.183 30.300 -0.214 0.000 1.091 92 R HN 0.423 nan 8.270 nan 0.000 0.540 93 I N 2.177 122.443 120.570 -0.506 0.000 2.466 93 I HA 0.271 4.441 4.170 -0.001 0.000 0.289 93 I C -0.967 174.822 176.117 -0.548 0.000 1.026 93 I CA -0.883 60.197 61.300 -0.368 0.000 1.078 93 I CB 1.441 39.225 38.000 -0.359 0.000 1.249 93 I HN 0.460 nan 8.210 nan 0.000 0.429 94 Y N 4.936 125.232 120.300 -0.008 0.000 2.326 94 Y HA 0.441 4.990 4.550 -0.001 0.000 0.331 94 Y C 0.282 176.192 175.900 0.017 0.000 0.962 94 Y CA -0.923 57.167 58.100 -0.017 0.000 1.167 94 Y CB 1.770 40.360 38.460 0.217 0.000 1.148 94 Y HN 0.178 nan 8.280 nan 0.000 0.463 95 V N 2.882 122.821 119.914 0.041 0.000 2.583 95 V HA 0.033 4.152 4.120 -0.001 0.000 0.287 95 V C 0.054 176.280 176.094 0.221 0.000 1.051 95 V CA -0.447 61.965 62.300 0.186 0.000 1.010 95 V CB 1.214 33.182 31.823 0.241 0.000 0.988 95 V HN 0.666 nan 8.190 nan 0.000 0.478 96 D N 4.138 124.660 120.400 0.203 0.000 2.422 96 D HA 0.340 4.979 4.640 -0.001 0.000 0.227 96 D C 0.151 176.547 176.300 0.159 0.000 1.190 96 D CA -0.192 53.899 54.000 0.153 0.000 0.905 96 D CB 0.865 41.785 40.800 0.200 0.000 1.034 96 D HN 0.692 nan 8.370 nan 0.000 0.507 97 A N 4.012 126.896 122.820 0.105 0.000 2.310 97 A HA 0.392 4.711 4.320 -0.001 0.000 0.300 97 A C -0.072 177.560 177.584 0.080 0.000 1.269 97 A CA -0.628 51.451 52.037 0.070 0.000 0.909 97 A CB 0.536 19.453 19.000 -0.138 0.000 1.144 97 A HN 0.391 nan 8.150 nan 0.000 0.540 98 V N 5.443 125.429 119.914 0.120 0.000 2.320 98 V HA 0.210 4.329 4.120 -0.001 0.000 0.265 98 V C 0.804 176.886 176.094 -0.020 0.000 1.048 98 V CA 0.348 62.678 62.300 0.051 0.000 0.865 98 V CB -0.067 31.791 31.823 0.058 0.000 1.043 98 V HN 0.865 nan 8.190 nan 0.000 0.474 99 I N 1.093 121.619 120.570 -0.074 0.000 4.225 99 I HA 0.405 4.575 4.170 -0.001 0.000 0.327 99 I C 1.085 177.153 176.117 -0.081 0.000 1.422 99 I CA 0.121 61.394 61.300 -0.044 0.000 1.150 99 I CB 0.242 38.224 38.000 -0.029 0.000 1.192 99 I HN 0.469 nan 8.210 nan 0.000 0.440 100 N N 1.403 119.997 118.700 -0.177 0.000 2.336 100 N HA 0.068 4.808 4.740 -0.001 0.000 0.189 100 N C 0.092 175.641 175.510 0.065 0.000 1.113 100 N CA 0.382 53.433 53.050 0.001 0.000 0.858 100 N CB 0.156 38.754 38.487 0.184 0.000 0.970 100 N HN 0.788 nan 8.380 nan 0.000 0.471 101 H N -4.229 114.894 119.070 0.087 0.000 2.849 101 H HA 0.421 4.977 4.556 -0.001 0.000 0.271 101 H C -1.073 174.283 175.328 0.045 0.000 1.461 101 H CA -1.057 55.042 56.048 0.084 0.000 1.146 101 H CB 0.306 30.109 29.762 0.068 0.000 1.834 101 H HN -0.270 nan 8.280 nan 0.000 0.555 102 M N 0.346 120.072 119.600 0.211 0.000 2.739 102 M HA 0.448 4.927 4.480 -0.001 0.000 0.284 102 M C 0.675 177.030 176.300 0.092 0.000 1.103 102 M CA -0.828 54.451 55.300 -0.036 0.000 0.809 102 M CB 0.990 33.324 32.600 -0.444 0.000 1.708 102 M HN 1.006 nan 8.290 nan 0.000 0.481 103 C N 0.260 119.578 119.300 0.031 0.000 2.779 103 C HA 0.599 5.059 4.460 -0.001 0.000 0.334 103 C C 1.086 176.121 174.990 0.075 0.000 1.406 103 C CA -0.800 58.281 59.018 0.104 0.000 2.281 103 C CB -1.104 26.717 27.740 0.135 0.000 2.437 103 C HN 0.877 nan 8.230 nan 0.000 0.748 104 G N 1.168 109.992 108.800 0.040 0.000 2.353 104 G HA2 0.355 4.315 3.960 -0.001 0.000 0.239 104 G HA3 0.355 4.315 3.960 -0.001 0.000 0.239 104 G C 0.945 175.830 174.900 -0.025 0.000 1.295 104 G CA 0.358 45.449 45.100 -0.015 0.000 0.884 104 G HN 1.523 nan 8.290 nan 0.000 0.537 105 S N 1.463 117.126 115.700 -0.062 0.000 2.440 105 S HA -0.083 4.387 4.470 -0.001 0.000 0.238 105 S C 2.034 176.586 174.600 -0.080 0.000 1.010 105 S CA 1.048 59.195 58.200 -0.087 0.000 0.972 105 S CB 0.046 63.186 63.200 -0.100 0.000 0.774 105 S HN 0.886 nan 8.310 nan 0.000 0.501 106 G N 0.561 109.322 108.800 -0.065 0.000 3.189 106 G HA2 0.550 4.510 3.960 -0.001 0.000 0.225 106 G HA3 0.550 4.510 3.960 -0.001 0.000 0.225 106 G C 0.321 175.190 174.900 -0.052 0.000 1.159 106 G CA 0.045 45.109 45.100 -0.060 0.000 0.763 106 G HN 0.752 nan 8.290 nan 0.000 0.549 107 A N 0.490 123.283 122.820 -0.045 0.000 2.462 107 A HA 0.674 4.994 4.320 -0.001 0.000 0.243 107 A C 0.907 178.451 177.584 -0.067 0.000 1.076 107 A CA 0.289 52.303 52.037 -0.038 0.000 0.773 107 A CB 0.313 19.305 19.000 -0.013 0.000 1.010 107 A HN 0.912 nan 8.150 nan 0.000 0.493 108 A N 1.455 124.238 122.820 -0.062 0.000 2.445 108 A HA 0.550 4.869 4.320 -0.001 0.000 0.242 108 A C 0.861 178.376 177.584 -0.114 0.000 1.075 108 A CA 0.253 52.246 52.037 -0.073 0.000 0.777 108 A CB -0.201 18.768 19.000 -0.051 0.000 1.013 108 A HN 2.120 nan 8.150 nan 0.000 0.493 109 A N 1.037 123.778 122.820 -0.133 0.000 2.351 109 A HA 0.736 5.056 4.320 -0.001 0.000 0.257 109 A C 0.896 178.376 177.584 -0.174 0.000 1.087 109 A CA 0.601 52.498 52.037 -0.234 0.000 0.798 109 A CB 0.101 19.000 19.000 -0.169 0.000 1.033 109 A HN 2.725 nan 8.150 nan 0.000 0.488 110 G N -0.797 107.794 108.800 -0.349 0.000 2.320 110 G HA2 0.373 4.333 3.960 -0.001 0.000 0.274 110 G HA3 0.373 4.333 3.960 -0.001 0.000 0.274 110 G C 0.115 174.974 174.900 -0.068 0.000 1.324 110 G CA 0.526 45.597 45.100 -0.047 0.000 0.957 110 G HN 1.721 nan 8.290 nan 0.000 0.481 111 T N -1.962 112.625 114.554 0.055 0.000 3.243 111 T HA 0.488 4.837 4.350 -0.001 0.000 0.264 111 T C 1.267 175.973 174.700 0.010 0.000 1.000 111 T CA 1.112 63.242 62.100 0.050 0.000 0.901 111 T CB 0.472 69.394 68.868 0.090 0.000 1.083 111 T HN 1.719 nan 8.240 nan 0.000 0.559 112 G N 2.538 111.329 108.800 -0.016 0.000 3.197 112 G HA2 0.430 4.390 3.960 -0.001 0.000 0.257 112 G HA3 0.430 4.390 3.960 -0.001 0.000 0.257 112 G C 0.157 175.045 174.900 -0.019 0.000 0.835 112 G CA -0.277 44.812 45.100 -0.018 0.000 2.001 112 G HN 0.675 nan 8.290 nan 0.000 0.625 113 T N -3.296 111.251 114.554 -0.011 0.000 2.906 113 T HA 0.425 4.775 4.350 -0.001 0.000 0.295 113 T C 1.459 176.154 174.700 -0.009 0.000 1.061 113 T CA 0.084 62.178 62.100 -0.009 0.000 1.000 113 T CB 1.500 70.367 68.868 -0.001 0.000 1.103 113 T HN 0.181 nan 8.240 nan 0.000 0.486 114 T N -2.117 112.428 114.554 -0.015 0.000 2.946 114 T HA -0.163 4.186 4.350 -0.001 0.000 0.270 114 T C 1.370 176.066 174.700 -0.007 0.000 1.129 114 T CA 1.212 63.301 62.100 -0.018 0.000 1.103 114 T CB -0.729 68.124 68.868 -0.024 0.000 0.839 114 T HN 0.718 nan 8.240 nan 0.000 0.544 115 c N 0.197 118.797 118.600 0.001 0.000 3.785 115 c HA 0.665 5.234 4.570 -0.001 0.000 0.312 115 c C 1.946 176.047 174.090 0.018 0.000 1.566 115 c CA -0.085 56.250 56.329 0.011 0.000 1.837 115 c CB -0.608 41.911 42.510 0.014 0.000 2.826 115 c HN 0.930 nan 8.230 nan 0.000 0.667 116 G N 1.799 110.609 108.800 0.017 0.000 2.136 116 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.242 116 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.242 116 G C 0.085 175.013 174.900 0.047 0.000 0.989 116 G CA 0.595 45.711 45.100 0.028 0.000 0.682 116 G HN 0.573 nan 8.290 nan 0.000 0.522 117 S N -0.565 115.162 115.700 0.045 0.000 2.584 117 S HA 0.540 5.010 4.470 -0.001 0.000 0.273 117 S C -0.051 174.604 174.600 0.091 0.000 1.311 117 S CA -0.510 57.732 58.200 0.070 0.000 1.034 117 S CB 1.228 64.459 63.200 0.052 0.000 0.939 117 S HN 0.517 nan 8.310 nan 0.000 0.513 118 Y N 2.086 122.388 120.300 0.005 0.000 2.301 118 Y HA 0.466 5.015 4.550 -0.001 0.000 0.328 118 Y C 0.122 176.010 175.900 -0.021 0.000 1.242 118 Y CA -0.657 57.435 58.100 -0.013 0.000 1.323 118 Y CB 0.517 38.961 38.460 -0.026 0.000 1.266 118 Y HN 0.873 nan 8.280 nan 0.000 0.527 119 C N 5.199 123.895 119.300 -1.006 0.000 3.181 119 C HA 0.412 4.872 4.460 -0.001 0.000 0.362 119 C C -1.564 172.812 174.990 -1.023 0.000 1.125 119 C CA -1.157 57.383 59.018 -0.796 0.000 1.265 119 C CB 1.166 28.715 27.740 -0.319 0.000 1.632 119 C HN 0.930 nan 8.230 nan 0.000 0.525 120 N N 2.927 121.146 118.700 -0.800 0.000 2.898 120 N HA 0.377 5.116 4.740 -0.001 0.000 0.245 120 N C -1.912 173.295 175.510 -0.506 0.000 1.185 120 N CA -1.399 51.343 53.050 -0.515 0.000 0.879 120 N CB 1.462 39.812 38.487 -0.228 0.000 1.157 120 N HN 0.529 nan 8.380 nan 0.000 0.503 121 P HA -0.078 nan 4.420 nan 0.000 0.217 121 P C 1.290 178.446 177.300 -0.240 0.000 1.148 121 P CA 1.093 64.014 63.100 -0.298 0.000 0.828 121 P CB 0.190 31.812 31.700 -0.128 0.000 0.783 122 G N -1.195 107.484 108.800 -0.202 0.000 2.432 122 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.219 122 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.219 122 G C 1.228 176.035 174.900 -0.155 0.000 1.135 122 G CA 0.654 45.664 45.100 -0.150 0.000 0.767 122 G HN 0.247 nan 8.290 nan 0.000 0.550 123 S N -0.228 115.362 115.700 -0.182 0.000 2.601 123 S HA 0.325 4.794 4.470 -0.001 0.000 0.244 123 S C 0.619 175.104 174.600 -0.193 0.000 1.001 123 S CA -0.563 57.540 58.200 -0.161 0.000 0.984 123 S CB 0.414 63.538 63.200 -0.126 0.000 0.842 123 S HN 0.303 nan 8.310 nan 0.000 0.474 124 R N 1.787 122.130 120.500 -0.262 0.000 3.516 124 R HA -0.157 4.183 4.340 -0.001 0.000 0.271 124 R C -0.726 175.508 176.300 -0.110 0.000 1.098 124 R CA 0.557 56.508 56.100 -0.248 0.000 0.732 124 R CB -2.208 28.023 30.300 -0.115 0.000 1.152 124 R HN 0.529 nan 8.270 nan 0.000 0.455 125 E N -0.123 119.831 120.200 -0.410 0.000 2.134 125 E HA 0.342 4.691 4.350 -0.001 0.000 0.278 125 E C -0.599 175.583 176.600 -0.695 0.000 0.959 125 E CA -0.374 55.828 56.400 -0.330 0.000 0.783 125 E CB 0.561 30.148 29.700 -0.188 0.000 1.095 125 E HN 0.057 nan 8.360 nan 0.000 0.399 126 F N 4.440 124.479 119.950 0.149 0.000 2.794 126 F HA 0.206 4.732 4.527 -0.001 0.000 0.353 126 F C -1.654 174.194 175.800 0.080 0.000 1.371 126 F CA -1.622 56.445 58.000 0.113 0.000 1.173 126 F CB 1.209 40.327 39.000 0.196 0.000 1.693 126 F HN 0.374 nan 8.300 nan 0.000 0.606 127 P HA -0.280 nan 4.420 nan 0.000 0.217 127 P C 1.497 178.858 177.300 0.101 0.000 1.148 127 P CA 1.857 65.038 63.100 0.136 0.000 0.828 127 P CB 0.358 32.138 31.700 0.134 0.000 0.783 128 A N -0.332 122.547 122.820 0.097 0.000 2.019 128 A HA -0.087 4.233 4.320 -0.001 0.000 0.219 128 A C 2.439 180.003 177.584 -0.032 0.000 1.164 128 A CA 1.606 53.664 52.037 0.035 0.000 0.644 128 A CB -1.445 17.570 19.000 0.025 0.000 0.805 128 A HN 0.108 nan 8.150 nan 0.000 0.449 129 V N 0.479 120.337 119.914 -0.094 0.000 2.239 129 V HA -0.017 4.102 4.120 -0.001 0.000 0.242 129 V C -1.223 174.784 176.094 -0.145 0.000 1.038 129 V CA 1.645 63.785 62.300 -0.266 0.000 1.002 129 V CB -1.321 30.052 31.823 -0.751 0.000 0.641 129 V HN 0.521 nan 8.190 nan 0.000 0.449 130 P HA 0.392 nan 4.420 nan 0.000 0.292 130 P C -1.976 175.390 177.300 0.110 0.000 1.300 130 P CA -0.308 62.813 63.100 0.035 0.000 0.900 130 P CB 1.713 33.493 31.700 0.133 0.000 1.139 131 Y N -0.676 119.810 120.300 0.310 0.000 2.462 131 Y HA 0.460 5.009 4.550 -0.001 0.000 0.346 131 Y C 0.722 176.778 175.900 0.260 0.000 0.976 131 Y CA -0.433 57.850 58.100 0.305 0.000 1.044 131 Y CB 2.397 41.026 38.460 0.282 0.000 1.230 131 Y HN 0.294 nan 8.280 nan 0.000 0.455 132 S N 0.234 116.103 115.700 0.283 0.000 2.759 132 S HA 0.637 5.107 4.470 -0.001 0.000 0.310 132 S C 0.926 175.493 174.600 -0.055 0.000 1.123 132 S CA -0.172 57.950 58.200 -0.129 0.000 0.959 132 S CB 1.544 64.249 63.200 -0.825 0.000 1.172 132 S HN 0.781 nan 8.310 nan 0.000 0.539 133 A N 0.234 122.886 122.820 -0.280 0.000 2.019 133 A HA -0.091 4.229 4.320 -0.001 0.000 0.219 133 A C 1.412 179.062 177.584 0.111 0.000 1.164 133 A CA 1.505 53.545 52.037 0.006 0.000 0.644 133 A CB -0.837 18.085 19.000 -0.130 0.000 0.805 133 A HN 0.900 nan 8.150 nan 0.000 0.449 134 W N -0.712 120.673 121.300 0.142 0.000 3.292 134 W HA 0.323 4.983 4.660 -0.001 0.000 0.263 134 W C -0.451 176.076 176.519 0.014 0.000 1.318 134 W CA -0.100 57.286 57.345 0.069 0.000 1.663 134 W CB -0.486 28.986 29.460 0.019 0.000 1.114 134 W HN 0.156 nan 8.180 nan 0.000 0.706 135 D N -0.023 120.481 120.400 0.173 0.000 2.463 135 D HA 0.158 4.797 4.640 -0.001 0.000 0.224 135 D C -0.876 175.029 176.300 -0.659 0.000 1.174 135 D CA 0.105 54.011 54.000 -0.157 0.000 0.829 135 D CB -0.252 40.438 40.800 -0.184 0.000 0.993 135 D HN -0.004 nan 8.370 nan 0.000 0.497 136 F N -0.167 119.820 119.950 0.062 0.000 2.613 136 F HA 0.295 4.822 4.527 -0.001 0.000 0.314 136 F C 1.201 177.039 175.800 0.063 0.000 1.075 136 F CA -1.038 56.981 58.000 0.032 0.000 0.945 136 F CB 1.103 40.119 39.000 0.027 0.000 1.310 136 F HN -0.369 nan 8.300 nan 0.000 0.467 137 N N 1.128 119.987 118.700 0.264 0.000 2.449 137 N HA -0.073 4.667 4.740 -0.001 0.000 0.191 137 N C 0.891 176.493 175.510 0.154 0.000 1.161 137 N CA 0.410 53.571 53.050 0.185 0.000 0.863 137 N CB -0.194 38.397 38.487 0.174 0.000 0.980 137 N HN 0.624 nan 8.380 nan 0.000 0.458 138 D N 0.523 121.017 120.400 0.156 0.000 2.242 138 D HA -0.204 4.435 4.640 -0.001 0.000 0.190 138 D C 1.650 177.999 176.300 0.081 0.000 1.012 138 D CA 1.585 55.643 54.000 0.096 0.000 0.875 138 D CB -0.149 40.697 40.800 0.078 0.000 0.922 138 D HN 0.386 nan 8.370 nan 0.000 0.448 139 G N 0.235 109.091 108.800 0.092 0.000 2.603 139 G HA2 -0.155 3.804 3.960 -0.001 0.000 0.214 139 G HA3 -0.155 3.804 3.960 -0.001 0.000 0.214 139 G C 1.501 176.448 174.900 0.077 0.000 1.140 139 G CA 0.167 45.312 45.100 0.076 0.000 0.800 139 G HN 0.214 nan 8.290 nan 0.000 0.533 140 K N -0.173 120.285 120.400 0.097 0.000 2.228 140 K HA 0.008 4.327 4.320 -0.001 0.000 0.202 140 K C 1.043 177.713 176.600 0.116 0.000 1.051 140 K CA -0.001 56.351 56.287 0.108 0.000 0.960 140 K CB -0.252 32.329 32.500 0.135 0.000 0.743 140 K HN 0.272 nan 8.250 nan 0.000 0.458 141 c N 1.911 120.574 118.600 0.105 0.000 2.679 141 c HA 0.110 4.679 4.570 -0.001 0.000 0.417 141 c C 0.593 174.724 174.090 0.068 0.000 1.302 141 c CA 0.080 56.466 56.329 0.094 0.000 1.973 141 c CB -0.111 42.440 42.510 0.068 0.000 2.715 141 c HN 0.447 nan 8.230 nan 0.000 0.628 142 K N 2.227 122.664 120.400 0.061 0.000 2.564 142 K HA 0.166 4.486 4.320 -0.001 0.000 0.205 142 K C 0.162 176.775 176.600 0.020 0.000 1.053 142 K CA 0.004 56.312 56.287 0.036 0.000 1.072 142 K CB 0.597 33.115 32.500 0.029 0.000 0.822 142 K HN 0.881 nan 8.250 nan 0.000 0.497 143 T N -3.036 111.528 114.554 0.018 0.000 2.859 143 T HA 0.516 4.866 4.350 -0.001 0.000 0.281 143 T C 1.373 176.074 174.700 0.000 0.000 1.005 143 T CA -0.600 61.502 62.100 0.004 0.000 1.025 143 T CB 2.004 70.868 68.868 -0.006 0.000 0.977 143 T HN 0.019 nan 8.240 nan 0.000 0.458 144 A N 2.832 125.650 122.820 -0.004 0.000 1.884 144 A HA -0.131 4.189 4.320 -0.001 0.000 0.219 144 A C 2.606 180.185 177.584 -0.009 0.000 1.197 144 A CA 2.602 54.636 52.037 -0.005 0.000 0.637 144 A CB -1.539 17.456 19.000 -0.007 0.000 0.827 144 A HN 1.345 nan 8.150 nan 0.000 0.450 145 S N -1.810 113.882 115.700 -0.014 0.000 2.423 145 S HA 0.250 4.719 4.470 -0.001 0.000 0.231 145 S C 1.708 176.296 174.600 -0.020 0.000 1.014 145 S CA 1.469 59.657 58.200 -0.019 0.000 0.965 145 S CB -0.620 62.565 63.200 -0.025 0.000 0.785 145 S HN 2.139 nan 8.310 nan 0.000 0.495 146 G N 0.029 108.822 108.800 -0.013 0.000 2.176 146 G HA2 -0.048 3.911 3.960 -0.001 0.000 0.253 146 G HA3 -0.048 3.911 3.960 -0.001 0.000 0.253 146 G C 0.327 175.217 174.900 -0.017 0.000 0.979 146 G CA 0.065 45.160 45.100 -0.007 0.000 0.641 146 G HN 1.223 nan 8.290 nan 0.000 0.530 147 G N -0.859 107.923 108.800 -0.031 0.000 2.644 147 G HA2 0.716 4.676 3.960 -0.001 0.000 0.307 147 G HA3 0.716 4.676 3.960 -0.001 0.000 0.307 147 G C -0.198 174.664 174.900 -0.063 0.000 1.250 147 G CA -0.966 44.105 45.100 -0.049 0.000 0.996 147 G HN 0.569 nan 8.290 nan 0.000 0.489 148 I N 0.044 120.555 120.570 -0.098 0.000 2.588 148 I HA 0.150 4.320 4.170 -0.001 0.000 0.283 148 I C 0.908 176.943 176.117 -0.136 0.000 1.119 148 I CA 0.486 61.686 61.300 -0.167 0.000 1.419 148 I CB 1.182 38.985 38.000 -0.329 0.000 1.394 148 I HN 0.698 nan 8.210 nan 0.000 0.562 149 E N 2.249 122.373 120.200 -0.126 0.000 2.571 149 E HA 0.180 4.530 4.350 -0.001 0.000 0.222 149 E C -0.145 176.423 176.600 -0.053 0.000 0.904 149 E CA -0.049 56.312 56.400 -0.066 0.000 1.157 149 E CB 0.951 30.628 29.700 -0.039 0.000 1.158 149 E HN 0.495 nan 8.360 nan 0.000 0.540 150 S N -0.377 115.257 115.700 -0.111 0.000 2.592 150 S HA 0.246 4.715 4.470 -0.001 0.000 0.275 150 S C -1.264 173.255 174.600 -0.135 0.000 1.169 150 S CA -0.575 57.593 58.200 -0.052 0.000 0.958 150 S CB 0.407 63.599 63.200 -0.013 0.000 1.095 150 S HN 0.178 nan 8.310 nan 0.000 0.471 151 Y N 3.559 123.861 120.300 0.003 0.000 2.496 151 Y HA 0.334 4.883 4.550 -0.001 0.000 0.313 151 Y C 1.713 177.604 175.900 -0.016 0.000 1.184 151 Y CA -0.051 58.041 58.100 -0.013 0.000 1.275 151 Y CB 0.150 38.597 38.460 -0.022 0.000 1.103 151 Y HN 0.611 nan 8.280 nan 0.000 0.513 152 N N -0.397 118.350 118.700 0.080 0.000 2.254 152 N HA -0.037 4.703 4.740 -0.001 0.000 0.190 152 N C -0.473 175.065 175.510 0.048 0.000 1.107 152 N CA 0.395 53.482 53.050 0.062 0.000 0.869 152 N CB 0.498 39.018 38.487 0.054 0.000 0.983 152 N HN 0.233 nan 8.380 nan 0.000 0.487 153 D N 0.697 121.115 120.400 0.031 0.000 2.414 153 D HA 0.278 4.918 4.640 -0.001 0.000 0.232 153 D C -1.942 174.377 176.300 0.032 0.000 1.070 153 D CA -2.174 51.866 54.000 0.067 0.000 0.839 153 D CB 2.178 43.019 40.800 0.069 0.000 1.079 153 D HN -0.126 nan 8.370 nan 0.000 0.521 154 P HA -0.105 nan 4.420 nan 0.000 0.218 154 P C 0.775 177.891 177.300 -0.308 0.000 1.149 154 P CA 0.976 63.962 63.100 -0.191 0.000 0.817 154 P CB 0.094 31.660 31.700 -0.223 0.000 0.785 155 Y N 0.610 120.921 120.300 0.018 0.000 2.145 155 Y HA -0.229 4.320 4.550 -0.001 0.000 0.286 155 Y C 2.742 178.675 175.900 0.055 0.000 1.145 155 Y CA 1.583 59.778 58.100 0.159 0.000 1.148 155 Y CB -1.331 37.264 38.460 0.225 0.000 0.981 155 Y HN 0.116 nan 8.280 nan 0.000 0.507 156 Q N 0.083 119.964 119.800 0.134 0.000 2.083 156 Q HA -0.117 4.223 4.340 -0.001 0.000 0.198 156 Q C 2.203 178.176 176.000 -0.045 0.000 0.969 156 Q CA 1.710 57.538 55.803 0.041 0.000 0.838 156 Q CB -1.055 27.681 28.738 -0.004 0.000 0.900 156 Q HN 0.402 nan 8.270 nan 0.000 0.436 157 V N -0.114 119.721 119.914 -0.132 0.000 2.982 157 V HA -0.168 3.951 4.120 -0.001 0.000 0.265 157 V C 1.678 177.758 176.094 -0.025 0.000 1.122 157 V CA 1.774 64.002 62.300 -0.120 0.000 1.143 157 V CB -0.368 31.324 31.823 -0.218 0.000 0.726 157 V HN 0.299 nan 8.190 nan 0.000 0.507 158 R N -0.631 119.778 120.500 -0.152 0.000 2.164 158 R HA 0.194 4.534 4.340 -0.001 0.000 0.198 158 R C 1.790 178.116 176.300 0.043 0.000 1.028 158 R CA 0.894 56.879 56.100 -0.192 0.000 1.083 158 R CB -0.103 29.701 30.300 -0.826 0.000 1.026 158 R HN 0.449 nan 8.270 nan 0.000 0.514 159 D N -0.206 120.275 120.400 0.136 0.000 2.305 159 D HA 0.035 4.675 4.640 -0.001 0.000 0.206 159 D C 0.355 176.737 176.300 0.137 0.000 0.974 159 D CA 0.449 54.576 54.000 0.211 0.000 0.871 159 D CB 0.145 41.115 40.800 0.285 0.000 0.947 159 D HN 0.116 nan 8.370 nan 0.000 0.516 160 c N 1.030 119.681 118.600 0.086 0.000 2.325 160 c HA 0.370 4.939 4.570 -0.001 0.000 0.370 160 c C 0.587 174.689 174.090 0.020 0.000 1.217 160 c CA -0.964 55.393 56.329 0.046 0.000 2.254 160 c CB 0.995 43.512 42.510 0.011 0.000 2.282 160 c HN 0.172 nan 8.230 nan 0.000 0.564 161 Q N 0.951 120.745 119.800 -0.009 0.000 2.304 161 Q HA 0.320 4.660 4.340 -0.001 0.000 0.260 161 Q C -0.567 175.367 176.000 -0.110 0.000 0.965 161 Q CA 0.083 55.858 55.803 -0.047 0.000 0.898 161 Q CB 0.684 29.392 28.738 -0.050 0.000 1.196 161 Q HN 0.577 nan 8.270 nan 0.000 0.402 162 L N 4.154 125.266 121.223 -0.186 0.000 2.281 162 L HA 0.083 4.423 4.340 -0.001 0.000 0.285 162 L C 0.466 177.198 176.870 -0.230 0.000 1.074 162 L CA -0.495 54.174 54.840 -0.284 0.000 0.817 162 L CB 0.674 42.429 42.059 -0.506 0.000 1.168 162 L HN 0.765 nan 8.230 nan 0.000 0.434 163 V N 2.580 122.392 119.914 -0.171 0.000 4.931 163 V HA -0.291 3.828 4.120 -0.001 0.000 0.254 163 V C 0.997 176.994 176.094 -0.162 0.000 0.620 163 V CA 1.080 63.284 62.300 -0.160 0.000 0.715 163 V CB -2.627 29.080 31.823 -0.192 0.000 0.589 163 V HN 1.524 nan 8.190 nan 0.000 0.982 164 G N -1.901 106.818 108.800 -0.135 0.000 2.176 164 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.253 164 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.253 164 G C -0.154 174.676 174.900 -0.116 0.000 0.979 164 G CA -0.021 45.010 45.100 -0.115 0.000 0.641 164 G HN 1.261 nan 8.290 nan 0.000 0.530 165 L N 1.014 122.144 121.223 -0.155 0.000 2.453 165 L HA 0.393 4.733 4.340 -0.001 0.000 0.272 165 L C 1.345 178.180 176.870 -0.058 0.000 1.182 165 L CA -0.219 54.535 54.840 -0.142 0.000 0.858 165 L CB 0.674 42.522 42.059 -0.351 0.000 1.120 165 L HN 0.190 nan 8.230 nan 0.000 0.474 166 L N 3.241 124.449 121.223 -0.025 0.000 2.565 166 L HA 0.003 4.343 4.340 -0.001 0.000 0.275 166 L C 0.211 177.195 176.870 0.191 0.000 1.137 166 L CA -0.102 54.706 54.840 -0.053 0.000 0.915 166 L CB -0.182 41.676 42.059 -0.335 0.000 1.232 166 L HN 0.551 nan 8.230 nan 0.000 0.473 167 D N 3.615 124.136 120.400 0.202 0.000 2.344 167 D HA 0.188 4.828 4.640 -0.001 0.000 0.253 167 D C -0.040 176.462 176.300 0.337 0.000 1.255 167 D CA -0.454 53.695 54.000 0.249 0.000 0.894 167 D CB 0.604 41.500 40.800 0.161 0.000 1.067 167 D HN 0.140 nan 8.370 nan 0.000 0.492 168 L N 3.077 124.443 121.223 0.238 0.000 2.516 168 L HA 0.165 4.505 4.340 -0.001 0.000 0.288 168 L C 0.445 177.300 176.870 -0.025 0.000 1.246 168 L CA 0.207 55.010 54.840 -0.060 0.000 0.844 168 L CB 0.346 42.304 42.059 -0.168 0.000 1.106 168 L HN 0.542 nan 8.230 nan 0.000 0.509 169 A N 5.650 128.391 122.820 -0.132 0.000 3.078 169 A HA 0.308 4.628 4.320 -0.001 0.000 0.279 169 A C 1.015 178.607 177.584 0.013 0.000 1.594 169 A CA -0.351 51.684 52.037 -0.004 0.000 1.301 169 A CB -0.924 18.081 19.000 0.008 0.000 1.162 169 A HN 0.801 nan 8.150 nan 0.000 0.585 170 L N 0.578 121.831 121.223 0.050 0.000 2.642 170 L HA -0.138 4.201 4.340 -0.001 0.000 0.236 170 L C 2.477 179.386 176.870 0.065 0.000 1.169 170 L CA 1.015 55.892 54.840 0.062 0.000 0.851 170 L CB -0.209 41.912 42.059 0.103 0.000 0.968 170 L HN 0.832 nan 8.230 nan 0.000 0.453 171 E N 0.403 120.638 120.200 0.058 0.000 2.216 171 E HA -0.048 4.302 4.350 -0.001 0.000 0.192 171 E C 0.468 177.084 176.600 0.027 0.000 0.973 171 E CA 0.092 56.507 56.400 0.026 0.000 0.851 171 E CB 0.095 29.798 29.700 0.006 0.000 0.804 171 E HN 0.359 nan 8.360 nan 0.000 0.477 172 K N 1.549 121.977 120.400 0.048 0.000 2.350 172 K HA -0.008 4.311 4.320 -0.001 0.000 0.279 172 K C 0.328 176.975 176.600 0.078 0.000 1.027 172 K CA 0.323 56.651 56.287 0.069 0.000 0.969 172 K CB 0.975 33.540 32.500 0.108 0.000 0.954 172 K HN -0.020 nan 8.250 nan 0.000 0.474 173 D N 1.933 122.377 120.400 0.073 0.000 2.144 173 D HA -0.225 4.415 4.640 -0.001 0.000 0.199 173 D C 1.535 177.889 176.300 0.089 0.000 0.984 173 D CA 1.295 55.331 54.000 0.059 0.000 0.834 173 D CB 0.015 40.843 40.800 0.046 0.000 0.955 173 D HN 0.623 nan 8.370 nan 0.000 0.465 174 Y N 0.404 120.721 120.300 0.028 0.000 2.114 174 Y HA -0.239 4.311 4.550 -0.001 0.000 0.282 174 Y C 2.056 178.014 175.900 0.097 0.000 1.165 174 Y CA 1.729 59.864 58.100 0.058 0.000 1.148 174 Y CB -0.489 38.015 38.460 0.075 0.000 0.972 174 Y HN -0.064 nan 8.280 nan 0.000 0.504 175 V N 0.360 120.372 119.914 0.164 0.000 2.270 175 V HA -0.290 3.829 4.120 -0.001 0.000 0.245 175 V C 2.412 178.508 176.094 0.002 0.000 1.043 175 V CA 2.263 64.624 62.300 0.102 0.000 1.014 175 V CB -0.665 31.203 31.823 0.075 0.000 0.645 175 V HN 0.258 nan 8.190 nan 0.000 0.447 176 R N 0.388 120.886 120.500 -0.002 0.000 2.103 176 R HA -0.164 4.176 4.340 -0.001 0.000 0.242 176 R C 2.547 178.798 176.300 -0.082 0.000 1.142 176 R CA 2.001 58.080 56.100 -0.035 0.000 0.960 176 R CB -0.608 29.680 30.300 -0.020 0.000 0.858 176 R HN 0.503 nan 8.270 nan 0.000 0.439 177 S N -0.066 115.577 115.700 -0.095 0.000 2.387 177 S HA -0.130 4.340 4.470 -0.001 0.000 0.226 177 S C 1.713 176.206 174.600 -0.179 0.000 1.026 177 S CA 1.155 59.279 58.200 -0.127 0.000 0.972 177 S CB -0.163 62.973 63.200 -0.108 0.000 0.814 177 S HN 0.173 nan 8.310 nan 0.000 0.477 178 M N 1.857 121.316 119.600 -0.235 0.000 2.086 178 M HA 0.054 4.534 4.480 -0.001 0.000 0.261 178 M C 1.704 177.876 176.300 -0.212 0.000 1.067 178 M CA 1.450 56.606 55.300 -0.239 0.000 1.116 178 M CB -0.625 31.817 32.600 -0.263 0.000 1.348 178 M HN 0.249 nan 8.290 nan 0.000 0.407 179 I N -0.365 120.099 120.570 -0.178 0.000 2.179 179 I HA -0.271 3.898 4.170 -0.001 0.000 0.242 179 I C 2.339 178.282 176.117 -0.289 0.000 1.088 179 I CA 1.230 62.361 61.300 -0.282 0.000 1.357 179 I CB -0.782 37.125 38.000 -0.155 0.000 1.051 179 I HN 0.364 nan 8.210 nan 0.000 0.409 180 A N 0.494 123.174 122.820 -0.234 0.000 1.978 180 A HA -0.253 4.066 4.320 -0.001 0.000 0.220 180 A C 1.857 179.292 177.584 -0.248 0.000 1.170 180 A CA 2.137 54.022 52.037 -0.254 0.000 0.636 180 A CB -0.597 18.281 19.000 -0.203 0.000 0.810 180 A HN 0.385 nan 8.150 nan 0.000 0.448 181 D N -1.724 118.558 120.400 -0.196 0.000 2.144 181 D HA -0.146 4.494 4.640 -0.001 0.000 0.200 181 D C 1.643 177.881 176.300 -0.104 0.000 0.978 181 D CA 1.449 55.368 54.000 -0.136 0.000 0.833 181 D CB -0.497 40.243 40.800 -0.100 0.000 0.961 181 D HN 0.749 nan 8.370 nan 0.000 0.470 182 Y N 1.367 121.465 120.300 -0.336 0.000 2.114 182 Y HA -0.185 4.365 4.550 -0.001 0.000 0.284 182 Y C 2.184 177.929 175.900 -0.258 0.000 1.143 182 Y CA 1.123 59.012 58.100 -0.353 0.000 1.135 182 Y CB -0.188 37.834 38.460 -0.729 0.000 0.980 182 Y HN -0.129 nan 8.280 nan 0.000 0.499 183 L N 0.621 121.499 121.223 -0.575 0.000 2.131 183 L HA -0.234 4.106 4.340 -0.001 0.000 0.210 183 L C 1.974 178.688 176.870 -0.260 0.000 1.092 183 L CA 1.015 55.462 54.840 -0.654 0.000 0.759 183 L CB -0.645 40.904 42.059 -0.851 0.000 0.903 183 L HN 0.346 nan 8.230 nan 0.000 0.435 184 N N 0.299 118.861 118.700 -0.231 0.000 2.270 184 N HA -0.155 4.585 4.740 -0.001 0.000 0.181 184 N C 1.756 177.264 175.510 -0.003 0.000 1.016 184 N CA 0.904 53.858 53.050 -0.160 0.000 0.870 184 N CB -0.028 38.249 38.487 -0.349 0.000 0.979 184 N HN 0.309 nan 8.380 nan 0.000 0.431 185 K N 0.397 120.789 120.400 -0.014 0.000 2.057 185 K HA -0.091 4.229 4.320 -0.001 0.000 0.207 185 K C 1.549 178.191 176.600 0.070 0.000 1.049 185 K CA 0.841 57.160 56.287 0.052 0.000 0.931 185 K CB 0.015 32.555 32.500 0.067 0.000 0.714 185 K HN -0.064 nan 8.250 nan 0.000 0.440 186 L N 1.468 122.706 121.223 0.026 0.000 2.017 186 L HA -0.179 4.160 4.340 -0.001 0.000 0.208 186 L C 2.295 179.232 176.870 0.112 0.000 1.073 186 L CA 1.334 56.225 54.840 0.084 0.000 0.745 186 L CB -0.866 41.252 42.059 0.098 0.000 0.894 186 L HN 0.254 nan 8.230 nan 0.000 0.432 187 I N -0.020 120.630 120.570 0.133 0.000 2.099 187 I HA -0.301 3.869 4.170 -0.001 0.000 0.239 187 I C 2.239 178.436 176.117 0.135 0.000 1.066 187 I CA 1.397 62.760 61.300 0.104 0.000 1.324 187 I CB -1.357 36.718 38.000 0.125 0.000 1.037 187 I HN 0.259 nan 8.210 nan 0.000 0.401 188 D N 0.950 121.446 120.400 0.160 0.000 2.133 188 D HA -0.185 4.454 4.640 -0.001 0.000 0.195 188 D C 2.242 178.649 176.300 0.179 0.000 0.997 188 D CA 1.015 55.118 54.000 0.170 0.000 0.840 188 D CB -0.198 40.697 40.800 0.160 0.000 0.947 188 D HN 0.219 nan 8.370 nan 0.000 0.452 189 I N -0.657 120.009 120.570 0.160 0.000 2.264 189 I HA -0.114 4.056 4.170 -0.001 0.000 0.248 189 I C 1.999 178.208 176.117 0.153 0.000 1.111 189 I CA 1.871 63.268 61.300 0.162 0.000 1.382 189 I CB -0.954 37.154 38.000 0.180 0.000 1.060 189 I HN 0.260 nan 8.210 nan 0.000 0.418 190 G N -0.524 108.349 108.800 0.121 0.000 2.559 190 G HA2 -0.127 3.833 3.960 -0.001 0.000 0.202 190 G HA3 -0.127 3.833 3.960 -0.001 0.000 0.202 190 G C 0.242 175.120 174.900 -0.038 0.000 0.992 190 G CA -0.084 45.068 45.100 0.087 0.000 0.764 190 G HN 0.081 nan 8.290 nan 0.000 0.525 191 V N 1.494 121.341 119.914 -0.113 0.000 2.814 191 V HA 0.320 4.439 4.120 -0.001 0.000 0.307 191 V C 1.828 177.696 176.094 -0.378 0.000 1.089 191 V CA 1.335 63.464 62.300 -0.286 0.000 1.212 191 V CB 1.258 32.877 31.823 -0.339 0.000 0.912 191 V HN 0.835 nan 8.190 nan 0.000 0.497 192 A N 3.050 125.545 122.820 -0.542 0.000 2.132 192 A HA 0.603 4.923 4.320 -0.001 0.000 0.213 192 A C 1.024 178.356 177.584 -0.419 0.000 1.154 192 A CA 0.951 52.635 52.037 -0.588 0.000 0.753 192 A CB -0.055 18.572 19.000 -0.622 0.000 0.826 192 A HN 1.439 nan 8.150 nan 0.000 0.469 193 G N -2.249 106.236 108.800 -0.524 0.000 2.320 193 G HA2 0.471 4.431 3.960 -0.001 0.000 0.296 193 G HA3 0.471 4.431 3.960 -0.001 0.000 0.296 193 G C -1.379 173.128 174.900 -0.654 0.000 1.306 193 G CA -0.735 44.178 45.100 -0.311 0.000 0.836 193 G HN 0.233 nan 8.290 nan 0.000 0.517 194 F N -0.858 119.090 119.950 -0.003 0.000 2.629 194 F HA 0.773 5.299 4.527 -0.001 0.000 0.316 194 F C 0.264 175.616 175.800 -0.746 0.000 1.081 194 F CA -0.952 56.916 58.000 -0.220 0.000 0.954 194 F CB 2.398 41.261 39.000 -0.228 0.000 1.337 194 F HN 0.495 nan 8.300 nan 0.000 0.474 195 R N 2.237 122.373 120.500 -0.606 0.000 2.246 195 R HA 0.494 4.834 4.340 -0.001 0.000 0.332 195 R C -1.356 174.717 176.300 -0.377 0.000 0.974 195 R CA -0.547 54.905 56.100 -1.079 0.000 0.837 195 R CB 0.382 30.249 30.300 -0.721 0.000 1.145 195 R HN 0.537 nan 8.270 nan 0.000 0.467 196 I N 4.560 124.945 120.570 -0.309 0.000 2.406 196 I HA 0.020 4.189 4.170 -0.001 0.000 0.293 196 I C 0.684 176.775 176.117 -0.043 0.000 1.101 196 I CA 0.035 61.254 61.300 -0.134 0.000 1.334 196 I CB 0.164 38.098 38.000 -0.110 0.000 1.421 196 I HN 0.691 nan 8.210 nan 0.000 0.513 197 D N 6.010 126.434 120.400 0.041 0.000 2.372 197 D HA 0.159 4.798 4.640 -0.001 0.000 0.243 197 D C 0.708 177.100 176.300 0.153 0.000 1.121 197 D CA 0.221 54.313 54.000 0.154 0.000 0.898 197 D CB 1.311 42.282 40.800 0.286 0.000 1.202 197 D HN 0.715 nan 8.370 nan 0.000 0.428 198 A N 2.966 125.903 122.820 0.195 0.000 2.748 198 A HA -0.227 4.093 4.320 -0.001 0.000 0.297 198 A C 1.632 179.302 177.584 0.144 0.000 1.508 198 A CA 1.189 53.372 52.037 0.243 0.000 0.799 198 A CB -2.043 17.171 19.000 0.357 0.000 1.011 198 A HN 0.502 nan 8.150 nan 0.000 0.500 199 S N -0.859 114.842 115.700 0.003 0.000 2.442 199 S HA -0.166 4.303 4.470 -0.001 0.000 0.236 199 S C 1.780 176.256 174.600 -0.206 0.000 1.007 199 S CA 1.510 59.641 58.200 -0.115 0.000 0.965 199 S CB -0.121 62.913 63.200 -0.275 0.000 0.773 199 S HN 0.850 nan 8.310 nan 0.000 0.504 200 K N 0.948 121.214 120.400 -0.223 0.000 2.032 200 K HA -0.151 4.169 4.320 -0.001 0.000 0.209 200 K C 0.888 177.306 176.600 -0.303 0.000 1.048 200 K CA 1.428 57.535 56.287 -0.300 0.000 0.927 200 K CB -0.157 32.112 32.500 -0.385 0.000 0.712 200 K HN 0.443 nan 8.250 nan 0.000 0.441 201 H N -0.463 118.602 119.070 -0.009 0.000 2.607 201 H HA 0.207 4.763 4.556 -0.001 0.000 0.288 201 H C -0.311 174.980 175.328 -0.061 0.000 1.058 201 H CA 0.129 56.158 56.048 -0.030 0.000 1.178 201 H CB -0.049 29.735 29.762 0.036 0.000 1.340 201 H HN 0.077 nan 8.280 nan 0.000 0.591 202 M N -0.911 118.686 119.600 -0.003 0.000 2.658 202 M HA 0.257 4.736 4.480 -0.001 0.000 0.295 202 M C -1.207 175.064 176.300 -0.048 0.000 1.248 202 M CA -0.860 54.451 55.300 0.019 0.000 0.843 202 M CB 2.288 34.962 32.600 0.124 0.000 1.749 202 M HN 0.139 nan 8.290 nan 0.000 0.464 203 W N 1.193 122.528 121.300 0.058 0.000 2.316 203 W HA 0.335 4.994 4.660 -0.001 0.000 0.311 203 W C -1.886 174.617 176.519 -0.027 0.000 1.217 203 W CA -1.097 56.236 57.345 -0.021 0.000 1.199 203 W CB 0.007 29.434 29.460 -0.054 0.000 1.202 203 W HN 0.451 nan 8.180 nan 0.000 0.528 204 P HA -0.216 nan 4.420 nan 0.000 0.216 204 P C 1.726 179.047 177.300 0.034 0.000 1.150 204 P CA 2.470 65.523 63.100 -0.078 0.000 0.843 204 P CB 0.145 31.623 31.700 -0.370 0.000 0.787 205 G N -0.596 108.240 108.800 0.061 0.000 2.408 205 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.217 205 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.217 205 G C 1.209 176.137 174.900 0.047 0.000 1.150 205 G CA 0.768 45.889 45.100 0.035 0.000 0.776 205 G HN 0.182 nan 8.290 nan 0.000 0.542 206 D N 0.544 121.002 120.400 0.097 0.000 2.144 206 D HA -0.026 4.614 4.640 -0.001 0.000 0.200 206 D C 2.535 178.871 176.300 0.060 0.000 0.978 206 D CA 0.285 54.334 54.000 0.082 0.000 0.833 206 D CB -0.110 40.776 40.800 0.142 0.000 0.961 206 D HN 0.338 nan 8.370 nan 0.000 0.470 207 I N 0.503 121.123 120.570 0.083 0.000 2.226 207 I HA -0.263 3.907 4.170 -0.001 0.000 0.245 207 I C 2.270 178.399 176.117 0.020 0.000 1.100 207 I CA 0.876 62.209 61.300 0.055 0.000 1.374 207 I CB -0.078 37.988 38.000 0.109 0.000 1.057 207 I HN -0.082 nan 8.210 nan 0.000 0.413 208 K N 1.648 122.065 120.400 0.028 0.000 2.063 208 K HA -0.140 4.180 4.320 -0.001 0.000 0.208 208 K C 2.070 178.665 176.600 -0.008 0.000 1.048 208 K CA 1.797 58.089 56.287 0.009 0.000 0.928 208 K CB -0.522 31.987 32.500 0.014 0.000 0.713 208 K HN 0.276 nan 8.250 nan 0.000 0.442 209 A N -0.061 122.757 122.820 -0.005 0.000 1.917 209 A HA -0.149 4.171 4.320 -0.001 0.000 0.219 209 A C 2.323 179.885 177.584 -0.036 0.000 1.182 209 A CA 2.109 54.137 52.037 -0.015 0.000 0.633 209 A CB -0.801 18.195 19.000 -0.008 0.000 0.819 209 A HN 0.132 nan 8.150 nan 0.000 0.448 210 V N -0.632 119.254 119.914 -0.046 0.000 2.379 210 V HA -0.170 3.950 4.120 -0.001 0.000 0.245 210 V C 2.438 178.466 176.094 -0.109 0.000 1.044 210 V CA 1.586 63.834 62.300 -0.087 0.000 1.036 210 V CB -0.738 31.023 31.823 -0.105 0.000 0.664 210 V HN 0.447 nan 8.190 nan 0.000 0.453 211 L N 0.139 121.310 121.223 -0.087 0.000 2.083 211 L HA -0.148 4.192 4.340 -0.001 0.000 0.209 211 L C 1.987 178.817 176.870 -0.067 0.000 1.083 211 L CA 1.773 56.562 54.840 -0.086 0.000 0.752 211 L CB -0.938 41.085 42.059 -0.060 0.000 0.899 211 L HN 0.333 nan 8.230 nan 0.000 0.433 212 D N -0.568 119.802 120.400 -0.049 0.000 2.392 212 D HA -0.109 4.531 4.640 -0.001 0.000 0.228 212 D C 1.700 177.977 176.300 -0.038 0.000 1.003 212 D CA 0.625 54.605 54.000 -0.033 0.000 0.917 212 D CB 0.134 40.923 40.800 -0.019 0.000 0.890 212 D HN 0.385 nan 8.370 nan 0.000 0.532 213 K N -0.254 120.104 120.400 -0.071 0.000 2.353 213 K HA 0.180 4.500 4.320 -0.001 0.000 0.195 213 K C 0.708 177.213 176.600 -0.157 0.000 1.031 213 K CA -0.139 56.092 56.287 -0.092 0.000 1.079 213 K CB 0.868 33.301 32.500 -0.112 0.000 0.857 213 K HN 0.035 nan 8.250 nan 0.000 0.535 214 L N 1.645 122.783 121.223 -0.142 0.000 2.461 214 L HA 0.074 4.414 4.340 -0.001 0.000 0.272 214 L C 0.512 177.343 176.870 -0.065 0.000 1.197 214 L CA -0.026 54.716 54.840 -0.164 0.000 0.836 214 L CB 0.172 42.181 42.059 -0.083 0.000 1.105 214 L HN 0.197 nan 8.230 nan 0.000 0.477 215 H N 0.810 119.878 119.070 -0.003 0.000 2.544 215 H HA 0.192 4.748 4.556 -0.001 0.000 0.365 215 H C -0.022 175.308 175.328 0.003 0.000 1.268 215 H CA -1.050 55.000 56.048 0.004 0.000 1.400 215 H CB 0.697 30.467 29.762 0.013 0.000 1.538 215 H HN 0.536 nan 8.280 nan 0.000 0.597 216 N N 0.266 119.053 118.700 0.146 0.000 2.317 216 N HA 0.069 4.808 4.740 -0.001 0.000 0.245 216 N C -0.362 175.183 175.510 0.057 0.000 1.294 216 N CA -0.207 52.882 53.050 0.065 0.000 0.924 216 N CB 0.460 38.976 38.487 0.048 0.000 1.186 216 N HN 0.303 nan 8.380 nan 0.000 0.495 217 L N 1.274 122.492 121.223 -0.008 0.000 2.417 217 L HA 0.110 4.450 4.340 -0.001 0.000 0.268 217 L C 1.119 178.094 176.870 0.175 0.000 1.158 217 L CA -0.560 54.258 54.840 -0.036 0.000 0.819 217 L CB 0.216 42.010 42.059 -0.442 0.000 1.112 217 L HN 0.465 nan 8.230 nan 0.000 0.458 218 N N 1.822 120.698 118.700 0.293 0.000 2.348 218 N HA -0.113 4.627 4.740 -0.001 0.000 0.286 218 N C 1.303 177.024 175.510 0.353 0.000 1.371 218 N CA 0.551 53.800 53.050 0.331 0.000 0.966 218 N CB 0.631 39.385 38.487 0.445 0.000 1.356 218 N HN 0.764 nan 8.380 nan 0.000 0.490 219 T N 0.689 115.353 114.554 0.185 0.000 2.848 219 T HA -0.190 4.160 4.350 -0.001 0.000 0.269 219 T C 1.359 176.054 174.700 -0.009 0.000 1.081 219 T CA 1.055 63.223 62.100 0.114 0.000 1.125 219 T CB -0.093 68.801 68.868 0.043 0.000 0.848 219 T HN 0.401 nan 8.240 nan 0.000 0.503 220 N N -0.089 118.535 118.700 -0.128 0.000 2.348 220 N HA -0.071 4.669 4.740 -0.001 0.000 0.185 220 N C 1.013 176.159 175.510 -0.607 0.000 1.019 220 N CA 1.232 54.011 53.050 -0.451 0.000 0.880 220 N CB -0.154 37.867 38.487 -0.777 0.000 0.965 220 N HN 0.687 nan 8.380 nan 0.000 0.437 221 W N -1.001 120.176 121.300 -0.205 0.000 2.942 221 W HA 0.255 4.914 4.660 -0.001 0.000 0.260 221 W C -0.148 175.972 176.519 -0.665 0.000 1.101 221 W CA -0.175 56.862 57.345 -0.514 0.000 1.436 221 W CB 0.188 29.157 29.460 -0.819 0.000 0.883 221 W HN -0.181 nan 8.180 nan 0.000 0.646 222 F N 1.170 121.222 119.950 0.169 0.000 2.598 222 F HA 0.547 5.073 4.527 -0.001 0.000 0.327 222 F C -1.898 173.929 175.800 0.046 0.000 1.057 222 F CA -2.787 55.268 58.000 0.091 0.000 0.957 222 F CB -0.031 39.015 39.000 0.077 0.000 1.278 222 F HN -0.453 nan 8.300 nan 0.000 0.484 223 P HA 0.133 nan 4.420 nan 0.000 0.274 223 P C 0.186 177.550 177.300 0.106 0.000 1.246 223 P CA 0.080 63.253 63.100 0.122 0.000 0.795 223 P CB 0.952 32.706 31.700 0.090 0.000 1.006 224 A N 2.803 125.661 122.820 0.064 0.000 1.900 224 A HA -0.237 4.083 4.320 -0.001 0.000 0.225 224 A C 1.954 179.565 177.584 0.046 0.000 1.414 224 A CA 2.672 54.737 52.037 0.047 0.000 0.702 224 A CB -2.096 16.921 19.000 0.029 0.000 0.845 224 A HN 0.700 nan 8.150 nan 0.000 0.478 225 G N -0.758 108.066 108.800 0.041 0.000 3.591 225 G HA2 0.407 4.367 3.960 -0.001 0.000 0.282 225 G HA3 0.407 4.367 3.960 -0.001 0.000 0.282 225 G C 0.067 174.983 174.900 0.026 0.000 1.238 225 G CA 0.470 45.590 45.100 0.032 0.000 0.993 225 G HN 0.380 nan 8.290 nan 0.000 0.542 226 S N 0.502 116.221 115.700 0.031 0.000 2.515 226 S HA 0.260 4.730 4.470 -0.001 0.000 0.285 226 S C 0.524 175.092 174.600 -0.053 0.000 1.265 226 S CA -0.021 58.172 58.200 -0.013 0.000 1.079 226 S CB 1.062 64.248 63.200 -0.024 0.000 0.877 226 S HN 0.405 nan 8.310 nan 0.000 0.493 227 R N 4.085 124.557 120.500 -0.048 0.000 2.428 227 R HA 0.438 4.777 4.340 -0.001 0.000 0.294 227 R C -2.489 173.775 176.300 -0.061 0.000 1.000 227 R CA -2.015 54.061 56.100 -0.039 0.000 0.960 227 R CB 0.530 30.819 30.300 -0.019 0.000 1.076 227 R HN 0.306 nan 8.270 nan 0.000 0.475 228 P HA -0.044 nan 4.420 nan 0.000 0.268 228 P C -0.693 176.658 177.300 0.084 0.000 1.205 228 P CA 0.104 63.190 63.100 -0.023 0.000 0.771 228 P CB 0.396 32.126 31.700 0.051 0.000 0.858 229 F N 4.313 124.243 119.950 -0.033 0.000 2.456 229 F HA 0.288 4.815 4.527 -0.001 0.000 0.358 229 F C -0.105 175.759 175.800 0.107 0.000 1.095 229 F CA -0.415 57.602 58.000 0.029 0.000 1.216 229 F CB 0.392 39.451 39.000 0.099 0.000 1.125 229 F HN 0.108 nan 8.300 nan 0.000 0.549 230 I N 8.455 128.800 120.570 -0.375 0.000 2.478 230 I HA 0.238 4.407 4.170 -0.001 0.000 0.287 230 I C -1.024 174.851 176.117 -0.402 0.000 1.042 230 I CA -0.688 60.418 61.300 -0.323 0.000 1.067 230 I CB 1.158 39.070 38.000 -0.146 0.000 1.233 230 I HN 0.530 nan 8.210 nan 0.000 0.431 231 F N 3.838 123.490 119.950 -0.496 0.000 2.496 231 F HA 0.663 5.189 4.527 -0.001 0.000 0.341 231 F C -0.263 175.466 175.800 -0.119 0.000 1.134 231 F CA -0.878 56.926 58.000 -0.327 0.000 0.968 231 F CB 1.004 39.770 39.000 -0.391 0.000 1.205 231 F HN 0.382 nan 8.300 nan 0.000 0.436 232 Q N 2.858 122.670 119.800 0.019 0.000 2.288 232 Q HA 0.145 4.484 4.340 -0.001 0.000 0.258 232 Q C -0.313 175.710 176.000 0.039 0.000 0.957 232 Q CA -0.474 55.308 55.803 -0.035 0.000 0.919 232 Q CB 1.793 30.495 28.738 -0.061 0.000 1.185 232 Q HN 0.698 nan 8.270 nan 0.000 0.408 233 E N 3.424 123.645 120.200 0.035 0.000 1.814 233 E HA 0.131 4.480 4.350 -0.001 0.000 0.264 233 E C -1.290 175.352 176.600 0.070 0.000 1.179 233 E CA -0.224 56.276 56.400 0.165 0.000 0.972 233 E CB 0.377 30.190 29.700 0.189 0.000 1.077 233 E HN 0.348 nan 8.360 nan 0.000 0.417 234 V N 7.180 127.138 119.914 0.073 0.000 2.326 234 V HA 0.256 4.375 4.120 -0.001 0.000 0.281 234 V C 0.369 176.467 176.094 0.007 0.000 1.015 234 V CA -0.613 61.632 62.300 -0.091 0.000 0.823 234 V CB 1.133 32.792 31.823 -0.273 0.000 1.009 234 V HN 0.581 nan 8.190 nan 0.000 0.436 235 I N 4.281 124.728 120.570 -0.205 0.000 2.389 235 I HA 0.194 4.363 4.170 -0.001 0.000 0.295 235 I C -0.115 175.885 176.117 -0.195 0.000 1.117 235 I CA 0.479 61.527 61.300 -0.421 0.000 1.317 235 I CB 0.293 37.908 38.000 -0.642 0.000 1.431 235 I HN 0.598 nan 8.210 nan 0.000 0.521 236 D N 7.218 127.590 120.400 -0.047 0.000 2.378 236 D HA 0.202 4.841 4.640 -0.001 0.000 0.265 236 D C 0.215 176.532 176.300 0.028 0.000 1.229 236 D CA -0.398 53.592 54.000 -0.017 0.000 0.914 236 D CB 0.910 41.721 40.800 0.019 0.000 1.140 236 D HN 0.196 nan 8.370 nan 0.000 0.516 237 L N 2.345 123.569 121.223 0.002 0.000 2.627 237 L HA 0.432 4.771 4.340 -0.001 0.000 0.232 237 L C 1.303 178.196 176.870 0.039 0.000 1.150 237 L CA 0.595 55.458 54.840 0.038 0.000 0.917 237 L CB -1.394 40.682 42.059 0.028 0.000 1.104 237 L HN 0.673 nan 8.230 nan 0.000 0.445 238 G N -0.545 108.272 108.800 0.028 0.000 2.781 238 G HA2 0.133 4.093 3.960 -0.001 0.000 0.683 238 G HA3 0.133 4.093 3.960 -0.001 0.000 0.683 238 G C 0.654 175.563 174.900 0.015 0.000 1.390 238 G CA -0.305 44.813 45.100 0.029 0.000 0.850 238 G HN 0.729 nan 8.290 nan 0.000 0.557 239 G N -0.863 107.947 108.800 0.017 0.000 2.159 239 G HA2 -0.095 3.864 3.960 -0.001 0.000 0.256 239 G HA3 -0.095 3.864 3.960 -0.001 0.000 0.256 239 G C 0.240 175.151 174.900 0.018 0.000 0.977 239 G CA 1.695 46.804 45.100 0.015 0.000 0.652 239 G HN 1.213 nan 8.290 nan 0.000 0.531 240 E N -1.324 118.886 120.200 0.017 0.000 2.370 240 E HA 0.733 5.082 4.350 -0.001 0.000 0.259 240 E C 1.310 177.928 176.600 0.029 0.000 0.947 240 E CA -0.472 55.946 56.400 0.030 0.000 0.809 240 E CB 1.317 31.028 29.700 0.019 0.000 1.300 240 E HN 0.367 nan 8.360 nan 0.000 0.419 241 A N 0.728 123.570 122.820 0.037 0.000 1.930 241 A HA 0.020 4.340 4.320 -0.001 0.000 0.215 241 A C 0.878 178.464 177.584 0.002 0.000 1.176 241 A CA 0.680 52.730 52.037 0.023 0.000 0.632 241 A CB -0.016 19.000 19.000 0.025 0.000 0.819 241 A HN 0.364 nan 8.150 nan 0.000 0.445 242 I N 1.770 122.339 120.570 -0.002 0.000 2.363 242 I HA 0.151 4.321 4.170 -0.001 0.000 0.292 242 I C -0.104 176.022 176.117 0.016 0.000 1.075 242 I CA 0.104 61.399 61.300 -0.008 0.000 1.333 242 I CB -0.011 37.977 38.000 -0.021 0.000 1.415 242 I HN 0.231 nan 8.210 nan 0.000 0.502 243 K N 3.894 124.303 120.400 0.015 0.000 2.118 243 K HA 0.251 4.571 4.320 -0.001 0.000 0.267 243 K C 1.163 177.784 176.600 0.034 0.000 0.991 243 K CA -0.340 55.953 56.287 0.009 0.000 0.916 243 K CB 1.374 33.861 32.500 -0.021 0.000 1.041 243 K HN 0.594 nan 8.250 nan 0.000 0.455 244 S N -0.091 115.615 115.700 0.010 0.000 2.428 244 S HA -0.161 4.309 4.470 -0.001 0.000 0.230 244 S C 1.829 176.211 174.600 -0.364 0.000 1.014 244 S CA 1.209 59.408 58.200 -0.001 0.000 0.957 244 S CB -0.331 62.909 63.200 0.067 0.000 0.784 244 S HN 0.664 nan 8.310 nan 0.000 0.499 245 S N 1.929 117.276 115.700 -0.590 0.000 2.500 245 S HA -0.067 4.402 4.470 -0.001 0.000 0.239 245 S C 1.361 175.494 174.600 -0.780 0.000 0.989 245 S CA 0.805 58.225 58.200 -1.301 0.000 0.951 245 S CB -0.633 62.332 63.200 -0.392 0.000 0.759 245 S HN 0.704 nan 8.310 nan 0.000 0.523 246 E N -0.275 119.688 120.200 -0.394 0.000 2.482 246 E HA -0.001 4.348 4.350 -0.001 0.000 0.196 246 E C 0.268 176.573 176.600 -0.491 0.000 1.047 246 E CA 0.613 56.789 56.400 -0.374 0.000 0.869 246 E CB -0.148 29.314 29.700 -0.397 0.000 0.836 246 E HN 0.815 nan 8.360 nan 0.000 0.520 247 Y N -1.894 118.261 120.300 -0.242 0.000 2.481 247 Y HA 0.127 4.677 4.550 -0.001 0.000 0.247 247 Y C 1.034 177.009 175.900 0.125 0.000 1.151 247 Y CA -0.532 57.537 58.100 -0.051 0.000 1.238 247 Y CB 0.402 38.849 38.460 -0.022 0.000 1.179 247 Y HN 0.001 nan 8.280 nan 0.000 0.524 248 F N 0.004 120.088 119.950 0.224 0.000 2.333 248 F HA -0.071 4.456 4.527 -0.001 0.000 0.300 248 F C 2.249 178.216 175.800 0.279 0.000 1.083 248 F CA 0.943 59.085 58.000 0.237 0.000 1.395 248 F CB -1.202 37.889 39.000 0.151 0.000 1.056 248 F HN 0.106 nan 8.300 nan 0.000 0.529 249 G N -0.309 108.698 108.800 0.344 0.000 2.443 249 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.219 249 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.219 249 G C 1.582 176.594 174.900 0.187 0.000 1.131 249 G CA 0.554 45.805 45.100 0.252 0.000 0.775 249 G HN 0.281 nan 8.290 nan 0.000 0.547 250 N N 0.519 119.320 118.700 0.170 0.000 2.392 250 N HA 0.226 4.965 4.740 -0.001 0.000 0.177 250 N C 1.114 176.606 175.510 -0.030 0.000 1.066 250 N CA 0.984 54.075 53.050 0.068 0.000 0.895 250 N CB 1.105 39.653 38.487 0.101 0.000 0.988 250 N HN 0.461 nan 8.380 nan 0.000 0.457 251 G N -0.042 108.797 108.800 0.065 0.000 2.350 251 G HA2 0.070 4.030 3.960 -0.001 0.000 0.276 251 G HA3 0.070 4.030 3.960 -0.001 0.000 0.276 251 G C -1.379 173.726 174.900 0.342 0.000 1.313 251 G CA -0.973 44.084 45.100 -0.071 0.000 0.903 251 G HN 0.018 nan 8.290 nan 0.000 0.490 252 R N -1.172 119.492 120.500 0.274 0.000 2.637 252 R HA 0.618 4.958 4.340 -0.001 0.000 0.269 252 R C -0.581 175.881 176.300 0.270 0.000 1.089 252 R CA -0.394 55.889 56.100 0.305 0.000 1.177 252 R CB 1.193 31.639 30.300 0.243 0.000 1.091 252 R HN 0.337 nan 8.270 nan 0.000 0.540 253 V N 0.695 120.792 119.914 0.305 0.000 2.709 253 V HA 0.157 4.277 4.120 -0.001 0.000 0.308 253 V C -0.036 176.216 176.094 0.263 0.000 1.062 253 V CA -1.050 61.422 62.300 0.286 0.000 0.901 253 V CB 2.095 34.122 31.823 0.340 0.000 1.003 253 V HN 0.983 nan 8.190 nan 0.000 0.425 254 T N 0.603 115.329 114.554 0.288 0.000 2.871 254 T HA 0.143 4.493 4.350 -0.001 0.000 0.296 254 T C -0.015 174.821 174.700 0.227 0.000 0.998 254 T CA -0.089 62.203 62.100 0.320 0.000 1.162 254 T CB 0.550 69.658 68.868 0.400 0.000 0.947 254 T HN 0.678 nan 8.240 nan 0.000 0.536 255 E N 2.493 122.690 120.200 -0.005 0.000 2.136 255 E HA 0.324 4.673 4.350 -0.001 0.000 0.246 255 E C -0.158 176.248 176.600 -0.323 0.000 1.017 255 E CA -0.969 55.372 56.400 -0.098 0.000 0.883 255 E CB -0.716 28.916 29.700 -0.113 0.000 1.199 255 E HN 0.691 nan 8.360 nan 0.000 0.447 256 F N 1.975 121.861 119.950 -0.106 0.000 2.333 256 F HA -0.089 4.438 4.527 -0.001 0.000 0.300 256 F C 1.841 177.552 175.800 -0.149 0.000 1.083 256 F CA 0.875 58.821 58.000 -0.089 0.000 1.395 256 F CB 0.109 39.150 39.000 0.068 0.000 1.056 256 F HN 0.350 nan 8.300 nan 0.000 0.529 257 K N -0.794 119.571 120.400 -0.058 0.000 2.103 257 K HA -0.248 4.072 4.320 -0.001 0.000 0.207 257 K C 1.856 178.218 176.600 -0.395 0.000 1.048 257 K CA 1.560 57.745 56.287 -0.169 0.000 0.930 257 K CB -0.519 31.834 32.500 -0.245 0.000 0.716 257 K HN 0.228 nan 8.250 nan 0.000 0.444 258 Y N 1.284 121.092 120.300 -0.819 0.000 2.030 258 Y HA -0.258 4.292 4.550 -0.001 0.000 0.274 258 Y C 2.426 178.203 175.900 -0.206 0.000 1.153 258 Y CA 2.031 59.706 58.100 -0.709 0.000 1.115 258 Y CB -0.904 37.176 38.460 -0.633 0.000 0.969 258 Y HN 0.073 nan 8.280 nan 0.000 0.488 259 G N -0.907 107.910 108.800 0.028 0.000 2.432 259 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.219 259 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.219 259 G C 1.761 176.712 174.900 0.084 0.000 1.135 259 G CA 0.918 46.064 45.100 0.075 0.000 0.767 259 G HN 0.630 nan 8.290 nan 0.000 0.550 260 A N 0.488 123.360 122.820 0.087 0.000 1.930 260 A HA 0.082 4.402 4.320 -0.001 0.000 0.217 260 A C 2.384 180.043 177.584 0.125 0.000 1.175 260 A CA 1.633 53.741 52.037 0.118 0.000 0.627 260 A CB -0.179 18.903 19.000 0.137 0.000 0.815 260 A HN 0.197 nan 8.150 nan 0.000 0.443 261 K N -0.362 120.133 120.400 0.158 0.000 2.076 261 K HA 0.067 4.386 4.320 -0.001 0.000 0.204 261 K C 1.980 178.636 176.600 0.093 0.000 1.051 261 K CA 0.807 57.245 56.287 0.252 0.000 0.949 261 K CB -0.746 32.044 32.500 0.484 0.000 0.726 261 K HN 0.528 nan 8.250 nan 0.000 0.443 262 L N 0.580 121.811 121.223 0.013 0.000 2.017 262 L HA -0.129 4.211 4.340 -0.001 0.000 0.208 262 L C 2.229 178.954 176.870 -0.241 0.000 1.073 262 L CA 1.740 56.398 54.840 -0.303 0.000 0.745 262 L CB -0.840 41.084 42.059 -0.225 0.000 0.894 262 L HN 0.255 nan 8.230 nan 0.000 0.432 263 G N -1.305 107.425 108.800 -0.116 0.000 2.469 263 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.219 263 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.219 263 G C 1.435 176.195 174.900 -0.233 0.000 1.150 263 G CA 1.335 46.345 45.100 -0.151 0.000 0.763 263 G HN 0.379 nan 8.290 nan 0.000 0.561 264 T N 0.594 115.080 114.554 -0.114 0.000 2.777 264 T HA -0.079 4.271 4.350 -0.001 0.000 0.266 264 T C 2.570 177.213 174.700 -0.095 0.000 1.040 264 T CA 1.213 63.281 62.100 -0.053 0.000 1.141 264 T CB -0.173 68.776 68.868 0.136 0.000 0.868 264 T HN 0.091 nan 8.240 nan 0.000 0.444 265 V N 1.096 120.932 119.914 -0.129 0.000 2.323 265 V HA -0.100 4.020 4.120 -0.001 0.000 0.244 265 V C 2.651 178.577 176.094 -0.280 0.000 1.041 265 V CA 1.163 63.356 62.300 -0.178 0.000 1.025 265 V CB -0.663 30.988 31.823 -0.288 0.000 0.656 265 V HN 0.293 nan 8.190 nan 0.000 0.451 266 V N 0.005 119.707 119.914 -0.353 0.000 2.490 266 V HA -0.201 3.919 4.120 -0.001 0.000 0.250 266 V C 2.416 178.322 176.094 -0.314 0.000 1.061 266 V CA 1.797 63.887 62.300 -0.349 0.000 1.064 266 V CB -0.796 30.820 31.823 -0.345 0.000 0.670 266 V HN 0.474 nan 8.190 nan 0.000 0.461 267 R N -0.186 120.071 120.500 -0.406 0.000 2.299 267 R HA 0.077 4.416 4.340 -0.001 0.000 0.197 267 R C 0.570 176.649 176.300 -0.368 0.000 0.971 267 R CA -0.012 55.754 56.100 -0.557 0.000 1.030 267 R CB -0.082 29.476 30.300 -1.237 0.000 0.932 267 R HN 0.413 nan 8.270 nan 0.000 0.477 268 K N -0.066 120.206 120.400 -0.213 0.000 3.148 268 K HA -0.181 4.138 4.320 -0.001 0.000 0.267 268 K C -0.931 175.768 176.600 0.166 0.000 0.996 268 K CA 0.420 56.678 56.287 -0.048 0.000 0.737 268 K CB -0.862 31.605 32.500 -0.055 0.000 1.308 268 K HN 0.152 nan 8.250 nan 0.000 0.470 269 W N 0.179 121.469 121.300 -0.017 0.000 2.332 269 W HA 0.237 4.897 4.660 -0.001 0.000 0.351 269 W C 1.383 177.914 176.519 0.020 0.000 1.195 269 W CA -0.979 56.367 57.345 0.001 0.000 1.334 269 W CB 0.812 30.275 29.460 0.004 0.000 1.206 269 W HN 0.213 nan 8.180 nan 0.000 0.637 270 S N 0.710 116.541 115.700 0.218 0.000 3.419 270 S HA -0.153 4.316 4.470 -0.001 0.000 0.350 270 S C 0.994 175.665 174.600 0.119 0.000 1.128 270 S CA 1.927 60.200 58.200 0.122 0.000 0.999 270 S CB -1.467 61.806 63.200 0.122 0.000 0.923 270 S HN 1.538 nan 8.310 nan 0.000 0.522 271 G N -0.641 108.235 108.800 0.127 0.000 2.175 271 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.244 271 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.244 271 G C -0.215 174.785 174.900 0.167 0.000 0.982 271 G CA 0.275 45.450 45.100 0.125 0.000 0.641 271 G HN 0.572 nan 8.290 nan 0.000 0.527 272 E N 0.564 120.863 120.200 0.165 0.000 2.408 272 E HA 0.542 4.892 4.350 -0.001 0.000 0.259 272 E C 0.505 177.067 176.600 -0.063 0.000 1.110 272 E CA 0.376 56.882 56.400 0.177 0.000 0.929 272 E CB 0.710 30.514 29.700 0.173 0.000 0.971 272 E HN 0.546 nan 8.360 nan 0.000 0.438 273 K N 0.880 121.092 120.400 -0.314 0.000 2.536 273 K HA 0.309 4.629 4.320 -0.001 0.000 0.269 273 K C 0.946 177.271 176.600 -0.458 0.000 0.965 273 K CA -0.619 55.353 56.287 -0.525 0.000 0.860 273 K CB 1.525 33.504 32.500 -0.867 0.000 1.423 273 K HN 0.243 nan 8.250 nan 0.000 0.438 274 M N 0.744 120.116 119.600 -0.380 0.000 2.229 274 M HA -0.144 4.335 4.480 -0.001 0.000 0.264 274 M C 1.889 178.096 176.300 -0.154 0.000 1.063 274 M CA 1.733 56.821 55.300 -0.354 0.000 1.114 274 M CB -0.139 32.220 32.600 -0.401 0.000 1.387 274 M HN 0.778 nan 8.290 nan 0.000 0.420 275 S N -0.319 115.300 115.700 -0.135 0.000 2.440 275 S HA -0.186 4.284 4.470 -0.001 0.000 0.238 275 S C 1.583 176.399 174.600 0.359 0.000 1.010 275 S CA 1.019 59.309 58.200 0.151 0.000 0.972 275 S CB -1.090 62.125 63.200 0.024 0.000 0.774 275 S HN 0.606 nan 8.310 nan 0.000 0.501 276 Y N 1.268 121.652 120.300 0.140 0.000 2.571 276 Y HA 0.178 4.728 4.550 -0.001 0.000 0.294 276 Y C 1.870 177.923 175.900 0.256 0.000 1.141 276 Y CA -0.019 58.186 58.100 0.176 0.000 1.308 276 Y CB -0.314 38.273 38.460 0.211 0.000 1.002 276 Y HN 0.270 nan 8.280 nan 0.000 0.551 277 L N 0.543 121.893 121.223 0.210 0.000 2.622 277 L HA -0.140 4.200 4.340 -0.001 0.000 0.233 277 L C 2.313 179.068 176.870 -0.192 0.000 1.156 277 L CA 0.598 55.388 54.840 -0.083 0.000 0.866 277 L CB -0.397 41.329 42.059 -0.556 0.000 0.980 277 L HN 0.231 nan 8.230 nan 0.000 0.448 278 K N 2.194 122.291 120.400 -0.506 0.000 2.077 278 K HA -0.249 4.071 4.320 -0.001 0.000 0.213 278 K C 1.239 177.473 176.600 -0.610 0.000 1.051 278 K CA 2.295 57.796 56.287 -1.309 0.000 0.929 278 K CB -0.130 31.759 32.500 -1.019 0.000 0.715 278 K HN 0.639 nan 8.250 nan 0.000 0.451 279 N N -0.793 117.775 118.700 -0.221 0.000 2.320 279 N HA -0.034 4.706 4.740 -0.001 0.000 0.237 279 N C -0.234 175.244 175.510 -0.053 0.000 1.129 279 N CA -0.704 52.264 53.050 -0.137 0.000 0.854 279 N CB -0.084 38.356 38.487 -0.078 0.000 1.083 279 N HN 0.216 nan 8.380 nan 0.000 0.504 280 W N 1.839 122.876 121.300 -0.439 0.000 2.391 280 W HA 0.141 4.801 4.660 -0.001 0.000 0.339 280 W C 0.582 176.680 176.519 -0.701 0.000 1.252 280 W CA 2.021 58.883 57.345 -0.806 0.000 1.304 280 W CB 0.481 29.424 29.460 -0.861 0.000 1.179 280 W HN 0.512 nan 8.180 nan 0.000 0.567 281 G N 3.758 111.685 108.800 -1.456 0.000 2.337 281 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.197 281 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.197 281 G C 0.308 174.638 174.900 -0.950 0.000 1.238 281 G CA 0.016 44.328 45.100 -1.313 0.000 1.119 281 G HN 0.443 nan 8.290 nan 0.000 0.514 282 E N 0.197 120.136 120.200 -0.436 0.000 2.164 282 E HA -0.146 4.204 4.350 -0.001 0.000 0.206 282 E C 2.596 179.029 176.600 -0.278 0.000 1.032 282 E CA 2.667 58.949 56.400 -0.197 0.000 0.832 282 E CB -0.698 28.980 29.700 -0.036 0.000 0.742 282 E HN 1.069 nan 8.360 nan 0.000 0.460 283 G N -0.796 107.842 108.800 -0.269 0.000 2.499 283 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.221 283 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.221 283 G C 0.758 175.501 174.900 -0.261 0.000 1.109 283 G CA 0.739 45.711 45.100 -0.214 0.000 0.749 283 G HN 0.270 nan 8.290 nan 0.000 0.568 284 W N -0.426 120.414 121.300 -0.767 0.000 3.197 284 W HA 0.410 5.069 4.660 -0.001 0.000 0.274 284 W C 1.800 177.902 176.519 -0.693 0.000 1.297 284 W CA 0.411 57.255 57.345 -0.835 0.000 1.662 284 W CB 0.477 29.133 29.460 -1.341 0.000 1.106 284 W HN 0.323 nan 8.180 nan 0.000 0.663 285 G N -1.656 106.915 108.800 -0.382 0.000 2.205 285 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.180 285 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.180 285 G C 0.215 175.181 174.900 0.110 0.000 1.004 285 G CA -0.823 44.209 45.100 -0.114 0.000 0.670 285 G HN 0.124 nan 8.290 nan 0.000 0.496 286 F N 1.731 121.605 119.950 -0.127 0.000 2.399 286 F HA 0.597 5.123 4.527 -0.001 0.000 0.313 286 F C 1.767 177.605 175.800 0.063 0.000 1.202 286 F CA -0.832 57.123 58.000 -0.075 0.000 1.192 286 F CB 0.472 39.297 39.000 -0.292 0.000 1.256 286 F HN 0.204 nan 8.300 nan 0.000 0.558 287 M N 0.640 120.477 119.600 0.394 0.000 2.036 287 M HA 0.384 4.864 4.480 -0.001 0.000 0.276 287 M C -2.713 173.728 176.300 0.234 0.000 1.262 287 M CA -1.595 53.896 55.300 0.318 0.000 1.097 287 M CB -0.623 32.213 32.600 0.394 0.000 1.386 287 M HN 0.072 nan 8.290 nan 0.000 0.482 288 P HA 0.049 nan 4.420 nan 0.000 0.268 288 P C 0.166 177.394 177.300 -0.121 0.000 1.205 288 P CA 0.040 63.101 63.100 -0.065 0.000 0.771 288 P CB 0.947 32.499 31.700 -0.245 0.000 0.858 289 S N 2.652 118.286 115.700 -0.110 0.000 2.365 289 S HA -0.201 4.268 4.470 -0.001 0.000 0.225 289 S C 1.214 175.632 174.600 -0.303 0.000 1.039 289 S CA 2.030 59.994 58.200 -0.394 0.000 1.033 289 S CB -0.986 62.097 63.200 -0.195 0.000 0.887 289 S HN 0.643 nan 8.310 nan 0.000 0.447 290 D N -0.320 119.954 120.400 -0.210 0.000 2.348 290 D HA 0.007 4.647 4.640 -0.001 0.000 0.248 290 D C 1.226 177.394 176.300 -0.220 0.000 1.142 290 D CA 0.203 54.092 54.000 -0.185 0.000 0.904 290 D CB -0.190 40.499 40.800 -0.185 0.000 0.901 290 D HN 0.282 nan 8.370 nan 0.000 0.523 291 R N -0.673 119.683 120.500 -0.241 0.000 2.541 291 R HA 0.404 4.743 4.340 -0.001 0.000 0.332 291 R C -0.075 176.189 176.300 -0.059 0.000 0.951 291 R CA -0.058 55.907 56.100 -0.225 0.000 1.136 291 R CB 0.985 30.887 30.300 -0.664 0.000 1.449 291 R HN 0.189 nan 8.270 nan 0.000 0.531 292 A N 1.270 124.024 122.820 -0.109 0.000 2.325 292 A HA 0.682 5.001 4.320 -0.001 0.000 0.333 292 A C -0.887 176.679 177.584 -0.030 0.000 1.155 292 A CA -0.484 51.512 52.037 -0.067 0.000 0.814 292 A CB 1.076 19.954 19.000 -0.203 0.000 1.206 292 A HN 0.187 nan 8.150 nan 0.000 0.482 293 L N 3.657 124.897 121.223 0.028 0.000 2.342 293 L HA 0.638 4.977 4.340 -0.001 0.000 0.276 293 L C -0.422 176.440 176.870 -0.014 0.000 0.997 293 L CA -0.665 54.207 54.840 0.053 0.000 0.838 293 L CB 1.457 43.553 42.059 0.061 0.000 1.224 293 L HN 0.729 nan 8.230 nan 0.000 0.416 294 V N 2.048 121.848 119.914 -0.190 0.000 2.966 294 V HA 0.804 4.923 4.120 -0.001 0.000 0.317 294 V C -0.672 175.239 176.094 -0.304 0.000 1.070 294 V CA -0.499 61.467 62.300 -0.555 0.000 1.008 294 V CB 1.691 32.922 31.823 -0.987 0.000 1.070 294 V HN 0.742 nan 8.190 nan 0.000 0.457 295 F N -1.089 118.619 119.950 -0.404 0.000 2.746 295 F HA 0.669 5.195 4.527 -0.001 0.000 0.311 295 F C 0.014 175.742 175.800 -0.119 0.000 1.135 295 F CA -0.870 56.985 58.000 -0.240 0.000 0.954 295 F CB 0.734 39.618 39.000 -0.194 0.000 1.276 295 F HN 0.260 nan 8.300 nan 0.000 0.440 296 V N 0.243 120.218 119.914 0.102 0.000 2.407 296 V HA -0.000 4.120 4.120 -0.001 0.000 0.245 296 V C 0.151 176.387 176.094 0.236 0.000 1.041 296 V CA 2.211 64.579 62.300 0.112 0.000 1.040 296 V CB -0.480 31.346 31.823 0.004 0.000 0.671 296 V HN 0.927 nan 8.190 nan 0.000 0.455 297 D N -0.966 119.643 120.400 0.349 0.000 2.602 297 D HA 0.263 4.903 4.640 -0.001 0.000 0.236 297 D C -1.019 175.439 176.300 0.264 0.000 1.209 297 D CA -0.644 53.559 54.000 0.337 0.000 0.831 297 D CB 1.634 42.617 40.800 0.304 0.000 1.478 297 D HN 0.265 nan 8.370 nan 0.000 0.438 298 N N -1.579 117.199 118.700 0.129 0.000 2.966 298 N HA 0.159 4.898 4.740 -0.001 0.000 0.314 298 N C 0.855 176.294 175.510 -0.117 0.000 1.397 298 N CA -0.373 52.641 53.050 -0.060 0.000 0.776 298 N CB 0.197 38.529 38.487 -0.259 0.000 1.576 298 N HN 0.665 nan 8.380 nan 0.000 0.592 299 H N -2.409 116.498 119.070 -0.273 0.000 2.456 299 H HA 0.014 4.569 4.556 -0.001 0.000 0.296 299 H C 0.972 175.976 175.328 -0.540 0.000 1.079 299 H CA 1.491 57.132 56.048 -0.679 0.000 1.322 299 H CB 0.099 29.102 29.762 -1.264 0.000 1.388 299 H HN 0.614 nan 8.280 nan 0.000 0.538 300 D N 1.277 121.120 120.400 -0.928 0.000 2.121 300 D HA -0.162 4.477 4.640 -0.001 0.000 0.209 300 D C 1.668 177.850 176.300 -0.197 0.000 0.981 300 D CA 1.386 55.075 54.000 -0.518 0.000 0.875 300 D CB -0.183 40.393 40.800 -0.373 0.000 1.016 300 D HN 0.580 nan 8.370 nan 0.000 0.452 301 N N 0.863 119.533 118.700 -0.049 0.000 2.430 301 N HA -0.236 4.504 4.740 -0.001 0.000 0.186 301 N C 1.733 177.283 175.510 0.067 0.000 1.032 301 N CA 1.405 54.489 53.050 0.057 0.000 0.893 301 N CB -0.974 37.628 38.487 0.192 0.000 0.957 301 N HN 0.462 nan 8.380 nan 0.000 0.442 302 Q N -0.177 119.652 119.800 0.049 0.000 2.488 302 Q HA 0.015 4.354 4.340 -0.001 0.000 0.211 302 Q C 1.154 177.294 176.000 0.234 0.000 0.967 302 Q CA 0.578 56.467 55.803 0.145 0.000 0.926 302 Q CB -0.065 28.767 28.738 0.157 0.000 0.992 302 Q HN 0.348 nan 8.270 nan 0.000 0.506 303 R N -0.427 120.134 120.500 0.101 0.000 2.388 303 R HA 0.184 4.523 4.340 -0.001 0.000 0.247 303 R C 0.687 177.005 176.300 0.030 0.000 0.931 303 R CA 0.472 56.654 56.100 0.136 0.000 1.082 303 R CB 0.624 30.882 30.300 -0.071 0.000 1.135 303 R HN 0.557 nan 8.270 nan 0.000 0.525 304 G N 1.242 110.066 108.800 0.040 0.000 2.284 304 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.230 304 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.230 304 G C 0.249 175.175 174.900 0.044 0.000 1.021 304 G CA 0.456 45.584 45.100 0.047 0.000 0.619 304 G HN 0.631 nan 8.290 nan 0.000 0.510 305 H N -0.504 118.658 119.070 0.152 0.000 2.790 305 H HA 0.643 5.199 4.556 -0.001 0.000 0.232 305 H C 0.650 176.022 175.328 0.074 0.000 1.313 305 H CA -0.029 56.083 56.048 0.107 0.000 1.011 305 H CB -0.062 29.766 29.762 0.109 0.000 2.105 305 H HN 0.692 nan 8.280 nan 0.000 0.580 306 G N -0.103 108.782 108.800 0.142 0.000 2.887 306 G HA2 0.568 4.528 3.960 -0.001 0.000 0.277 306 G HA3 0.568 4.528 3.960 -0.001 0.000 0.277 306 G C -0.458 174.484 174.900 0.071 0.000 1.346 306 G CA -0.938 44.221 45.100 0.098 0.000 1.058 306 G HN 0.576 nan 8.290 nan 0.000 0.535 307 A N -1.080 121.741 122.820 0.001 0.000 2.550 307 A HA 0.467 4.786 4.320 -0.001 0.000 0.263 307 A C 1.492 179.174 177.584 0.163 0.000 1.065 307 A CA 1.651 53.693 52.037 0.009 0.000 0.786 307 A CB -0.986 17.891 19.000 -0.205 0.000 0.985 307 A HN 2.502 nan 8.150 nan 0.000 0.518 308 G N 1.406 110.283 108.800 0.128 0.000 2.541 308 G HA2 0.323 4.282 3.960 -0.001 0.000 0.201 308 G HA3 0.323 4.282 3.960 -0.001 0.000 0.201 308 G C 1.524 176.509 174.900 0.142 0.000 1.026 308 G CA 0.786 45.976 45.100 0.150 0.000 0.687 308 G HN 2.921 nan 8.290 nan 0.000 0.492 309 G N -0.276 108.605 108.800 0.134 0.000 2.512 309 G HA2 0.109 4.068 3.960 -0.001 0.000 0.240 309 G HA3 0.109 4.068 3.960 -0.001 0.000 0.240 309 G C 1.212 176.201 174.900 0.149 0.000 1.246 309 G CA 1.771 46.954 45.100 0.138 0.000 0.919 309 G HN 1.978 nan 8.290 nan 0.000 0.577 310 S N -0.034 115.771 115.700 0.175 0.000 2.603 310 S HA 0.190 4.659 4.470 -0.001 0.000 0.220 310 S C 2.254 177.025 174.600 0.285 0.000 0.967 310 S CA 1.535 59.856 58.200 0.203 0.000 0.920 310 S CB -0.006 63.309 63.200 0.191 0.000 0.773 310 S HN 1.988 nan 8.310 nan 0.000 0.529 311 S N 1.273 117.141 115.700 0.280 0.000 2.489 311 S HA 0.182 4.651 4.470 -0.001 0.000 0.228 311 S C 0.749 175.329 174.600 -0.033 0.000 0.995 311 S CA -0.274 57.984 58.200 0.096 0.000 0.934 311 S CB -0.613 62.706 63.200 0.198 0.000 0.771 311 S HN 0.366 nan 8.310 nan 0.000 0.522 312 I N 2.854 123.463 120.570 0.066 0.000 2.683 312 I HA 0.173 4.343 4.170 -0.001 0.000 0.286 312 I C 0.333 176.494 176.117 0.074 0.000 1.175 312 I CA -0.363 60.990 61.300 0.089 0.000 1.429 312 I CB -0.069 38.016 38.000 0.142 0.000 1.371 312 I HN 0.318 nan 8.210 nan 0.000 0.569 313 L N 6.633 127.926 121.223 0.118 0.000 2.334 313 L HA 0.443 4.782 4.340 -0.001 0.000 0.277 313 L C 0.636 177.707 176.870 0.336 0.000 1.075 313 L CA -0.257 54.701 54.840 0.197 0.000 0.804 313 L CB 1.611 43.797 42.059 0.212 0.000 1.174 313 L HN 0.763 nan 8.230 nan 0.000 0.438 314 T N -1.946 112.672 114.554 0.106 0.000 2.804 314 T HA 0.337 4.687 4.350 -0.001 0.000 0.290 314 T C 0.752 174.986 174.700 -0.776 0.000 1.099 314 T CA -0.638 61.259 62.100 -0.339 0.000 1.011 314 T CB 0.800 69.584 68.868 -0.139 0.000 1.291 314 T HN 0.399 nan 8.240 nan 0.000 0.523 315 F N -1.353 118.060 119.950 -0.896 0.000 2.408 315 F HA 0.205 4.731 4.527 -0.001 0.000 0.300 315 F C 1.612 177.280 175.800 -0.221 0.000 1.090 315 F CA -0.237 57.421 58.000 -0.570 0.000 1.427 315 F CB -1.100 37.578 39.000 -0.537 0.000 1.070 315 F HN 0.545 nan 8.300 nan 0.000 0.549 316 W N 1.368 122.214 121.300 -0.757 0.000 2.402 316 W HA -0.073 4.587 4.660 -0.001 0.000 0.286 316 W C 0.744 177.164 176.519 -0.165 0.000 1.221 316 W CA 0.831 57.879 57.345 -0.496 0.000 1.257 316 W CB -0.113 29.006 29.460 -0.567 0.000 1.120 316 W HN -0.061 nan 8.180 nan 0.000 0.551 317 D N -0.037 120.426 120.400 0.106 0.000 3.133 317 D HA 0.261 4.901 4.640 -0.001 0.000 0.288 317 D C 1.362 177.783 176.300 0.201 0.000 1.346 317 D CA 0.204 54.281 54.000 0.128 0.000 0.934 317 D CB 0.237 41.092 40.800 0.092 0.000 1.042 317 D HN -0.009 nan 8.370 nan 0.000 0.506 318 A N 1.570 124.523 122.820 0.221 0.000 1.870 318 A HA -0.341 3.978 4.320 -0.001 0.000 0.219 318 A C 2.172 179.939 177.584 0.305 0.000 1.286 318 A CA 1.993 54.226 52.037 0.326 0.000 0.682 318 A CB -0.514 18.556 19.000 0.118 0.000 0.844 318 A HN 0.390 nan 8.150 nan 0.000 0.460 319 R N -1.054 119.543 120.500 0.162 0.000 2.179 319 R HA -0.231 4.109 4.340 -0.001 0.000 0.238 319 R C 1.979 178.374 176.300 0.158 0.000 1.119 319 R CA 2.415 58.600 56.100 0.143 0.000 0.915 319 R CB -0.699 29.652 30.300 0.084 0.000 0.870 319 R HN 0.408 nan 8.270 nan 0.000 0.432 320 L N -0.377 120.911 121.223 0.108 0.000 2.127 320 L HA -0.171 4.169 4.340 -0.001 0.000 0.211 320 L C 2.207 179.125 176.870 0.079 0.000 1.089 320 L CA 1.552 56.417 54.840 0.041 0.000 0.757 320 L CB -0.931 41.118 42.059 -0.016 0.000 0.899 320 L HN 0.317 nan 8.230 nan 0.000 0.434 321 Y N 0.743 121.088 120.300 0.076 0.000 2.114 321 Y HA -0.274 4.275 4.550 -0.001 0.000 0.284 321 Y C 2.517 178.500 175.900 0.138 0.000 1.143 321 Y CA 1.724 59.893 58.100 0.115 0.000 1.135 321 Y CB -0.165 38.425 38.460 0.217 0.000 0.980 321 Y HN 0.059 nan 8.280 nan 0.000 0.499 322 K N -0.095 120.480 120.400 0.291 0.000 2.103 322 K HA -0.185 4.135 4.320 -0.001 0.000 0.207 322 K C 1.985 178.566 176.600 -0.032 0.000 1.048 322 K CA 2.005 58.442 56.287 0.251 0.000 0.930 322 K CB -0.325 32.456 32.500 0.468 0.000 0.716 322 K HN 0.397 nan 8.250 nan 0.000 0.444 323 I N 0.561 121.029 120.570 -0.170 0.000 2.286 323 I HA -0.232 3.938 4.170 -0.001 0.000 0.245 323 I C 2.499 178.409 176.117 -0.346 0.000 1.104 323 I CA 0.986 61.962 61.300 -0.540 0.000 1.397 323 I CB -0.403 37.403 38.000 -0.324 0.000 1.072 323 I HN 0.114 nan 8.210 nan 0.000 0.417 324 A N 0.644 123.303 122.820 -0.269 0.000 1.877 324 A HA -0.151 4.168 4.320 -0.001 0.000 0.216 324 A C 2.431 179.915 177.584 -0.166 0.000 1.186 324 A CA 1.832 53.719 52.037 -0.249 0.000 0.620 324 A CB -1.017 17.841 19.000 -0.237 0.000 0.822 324 A HN 0.238 nan 8.150 nan 0.000 0.443 325 V N -0.075 119.685 119.914 -0.256 0.000 2.515 325 V HA -0.151 3.969 4.120 -0.001 0.000 0.250 325 V C 2.735 178.794 176.094 -0.059 0.000 1.058 325 V CA 1.730 63.914 62.300 -0.194 0.000 1.064 325 V CB -1.315 30.322 31.823 -0.310 0.000 0.675 325 V HN 0.631 nan 8.190 nan 0.000 0.461 326 G N -0.743 108.017 108.800 -0.067 0.000 2.421 326 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.216 326 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.216 326 G C 1.554 176.532 174.900 0.131 0.000 1.171 326 G CA 0.939 46.042 45.100 0.005 0.000 0.775 326 G HN 0.490 nan 8.290 nan 0.000 0.543 327 F N 0.871 120.845 119.950 0.039 0.000 2.171 327 F HA 0.009 4.536 4.527 -0.001 0.000 0.300 327 F C 2.595 178.488 175.800 0.155 0.000 1.090 327 F CA 1.933 59.978 58.000 0.075 0.000 1.293 327 F CB -0.078 38.683 39.000 -0.400 0.000 1.013 327 F HN 0.155 nan 8.300 nan 0.000 0.486 328 M N -0.390 119.309 119.600 0.166 0.000 2.067 328 M HA -0.197 4.283 4.480 -0.001 0.000 0.260 328 M C 1.794 178.132 176.300 0.063 0.000 1.069 328 M CA 1.639 57.038 55.300 0.165 0.000 1.117 328 M CB -0.324 32.338 32.600 0.103 0.000 1.334 328 M HN 0.144 nan 8.290 nan 0.000 0.407 329 L N 0.426 121.654 121.223 0.008 0.000 2.265 329 L HA -0.080 4.260 4.340 -0.001 0.000 0.215 329 L C 2.661 179.560 176.870 0.049 0.000 1.117 329 L CA 1.777 56.611 54.840 -0.009 0.000 0.782 329 L CB -2.129 39.912 42.059 -0.030 0.000 0.914 329 L HN 0.434 nan 8.230 nan 0.000 0.441 330 A N -2.410 120.420 122.820 0.016 0.000 1.984 330 A HA -0.079 4.240 4.320 -0.001 0.000 0.214 330 A C 1.292 179.088 177.584 0.354 0.000 1.173 330 A CA 0.187 52.277 52.037 0.088 0.000 0.673 330 A CB -0.414 18.498 19.000 -0.147 0.000 0.830 330 A HN 0.364 nan 8.150 nan 0.000 0.453 331 H N 0.732 119.872 119.070 0.117 0.000 2.582 331 H HA 0.181 4.737 4.556 -0.001 0.000 0.345 331 H C -1.686 173.743 175.328 0.167 0.000 1.104 331 H CA -1.306 54.796 56.048 0.090 0.000 1.390 331 H CB 1.557 31.207 29.762 -0.187 0.000 1.461 331 H HN 0.104 nan 8.280 nan 0.000 0.551 332 P HA -0.148 nan 4.420 nan 0.000 0.226 332 P C 0.266 177.677 177.300 0.186 0.000 1.153 332 P CA 0.554 63.689 63.100 0.058 0.000 0.777 332 P CB -0.092 31.599 31.700 -0.015 0.000 0.794 333 Y N 2.435 122.929 120.300 0.324 0.000 2.632 333 Y HA 0.309 4.859 4.550 -0.001 0.000 0.329 333 Y C 1.330 177.311 175.900 0.135 0.000 1.174 333 Y CA 1.306 59.555 58.100 0.248 0.000 1.469 333 Y CB -0.465 38.179 38.460 0.307 0.000 1.242 333 Y HN 0.303 nan 8.280 nan 0.000 0.540 334 G N 4.750 113.185 108.800 -0.607 0.000 2.806 334 G HA2 -0.327 3.633 3.960 -0.001 0.000 0.236 334 G HA3 -0.327 3.633 3.960 -0.001 0.000 0.236 334 G C -1.199 173.615 174.900 -0.145 0.000 1.387 334 G CA -0.185 44.635 45.100 -0.467 0.000 0.884 334 G HN 0.908 nan 8.290 nan 0.000 0.560 335 F N 2.007 121.822 119.950 -0.224 0.000 2.404 335 F HA 0.605 5.131 4.527 -0.001 0.000 0.354 335 F C 1.275 176.965 175.800 -0.185 0.000 1.122 335 F CA 0.047 57.941 58.000 -0.177 0.000 1.080 335 F CB 1.245 40.158 39.000 -0.145 0.000 1.131 335 F HN 0.833 nan 8.300 nan 0.000 0.471 336 T N 4.047 118.147 114.554 -0.756 0.000 2.869 336 T HA 0.351 4.701 4.350 -0.001 0.000 0.295 336 T C -0.268 174.127 174.700 -0.508 0.000 0.987 336 T CA -0.795 60.982 62.100 -0.538 0.000 1.109 336 T CB 1.104 69.717 68.868 -0.424 0.000 0.932 336 T HN 0.803 nan 8.240 nan 0.000 0.518 337 R N 2.433 122.802 120.500 -0.219 0.000 2.480 337 R HA 0.593 4.932 4.340 -0.001 0.000 0.306 337 R C -1.585 174.698 176.300 -0.028 0.000 0.958 337 R CA -0.755 55.275 56.100 -0.118 0.000 0.861 337 R CB 1.538 31.784 30.300 -0.091 0.000 1.171 337 R HN 0.606 nan 8.270 nan 0.000 0.445 338 V N 5.568 125.484 119.914 0.003 0.000 2.481 338 V HA 0.326 4.446 4.120 -0.001 0.000 0.286 338 V C 0.076 176.223 176.094 0.088 0.000 1.042 338 V CA -0.711 61.626 62.300 0.062 0.000 0.928 338 V CB 1.523 33.412 31.823 0.110 0.000 0.986 338 V HN 0.804 nan 8.190 nan 0.000 0.462 339 M N 4.839 124.506 119.600 0.112 0.000 2.144 339 M HA 0.456 4.936 4.480 -0.001 0.000 0.356 339 M C -0.171 176.132 176.300 0.004 0.000 1.217 339 M CA 0.729 56.083 55.300 0.089 0.000 1.087 339 M CB 1.233 33.916 32.600 0.138 0.000 1.609 339 M HN 0.641 nan 8.290 nan 0.000 0.467 340 S N 3.352 119.004 115.700 -0.080 0.000 2.473 340 S HA 0.927 5.396 4.470 -0.001 0.000 0.307 340 S C -0.891 173.687 174.600 -0.036 0.000 1.094 340 S CA -0.347 57.776 58.200 -0.128 0.000 1.070 340 S CB 0.673 63.656 63.200 -0.362 0.000 1.019 340 S HN 0.909 nan 8.310 nan 0.000 0.480 341 S N 3.018 118.701 115.700 -0.028 0.000 2.903 341 S HA 0.756 5.225 4.470 -0.001 0.000 0.314 341 S C -1.499 173.167 174.600 0.109 0.000 1.177 341 S CA -0.868 57.364 58.200 0.053 0.000 0.859 341 S CB 0.497 63.610 63.200 -0.145 0.000 1.265 341 S HN 0.886 nan 8.310 nan 0.000 0.584 342 Y N -0.394 119.940 120.300 0.057 0.000 2.485 342 Y HA 0.812 5.362 4.550 -0.001 0.000 0.345 342 Y C -0.147 175.747 175.900 -0.010 0.000 0.998 342 Y CA -1.295 56.750 58.100 -0.092 0.000 1.059 342 Y CB 0.974 39.254 38.460 -0.299 0.000 1.234 342 Y HN 0.834 nan 8.280 nan 0.000 0.461 343 R N 2.111 122.665 120.500 0.090 0.000 2.582 343 R HA 0.469 4.809 4.340 -0.001 0.000 0.271 343 R C -1.529 175.089 176.300 0.529 0.000 1.078 343 R CA -0.145 56.072 56.100 0.196 0.000 1.127 343 R CB 0.652 30.979 30.300 0.044 0.000 1.038 343 R HN 0.964 nan 8.270 nan 0.000 0.500 344 W N 1.023 122.574 121.300 0.418 0.000 3.074 344 W HA 0.552 5.211 4.660 -0.001 0.000 0.332 344 W C -1.920 174.743 176.519 0.240 0.000 1.253 344 W CA -1.032 56.477 57.345 0.273 0.000 1.180 344 W CB 0.660 30.261 29.460 0.236 0.000 1.445 344 W HN 0.607 nan 8.180 nan 0.000 0.573 345 A N 3.669 126.594 122.820 0.176 0.000 2.805 345 A HA 0.420 4.740 4.320 -0.001 0.000 0.301 345 A C 0.301 177.789 177.584 -0.159 0.000 1.557 345 A CA -0.498 51.518 52.037 -0.035 0.000 1.254 345 A CB -0.453 18.561 19.000 0.025 0.000 1.114 345 A HN 0.570 nan 8.150 nan 0.000 0.553 346 R N 1.324 121.472 120.500 -0.587 0.000 2.623 346 R HA 0.120 4.459 4.340 -0.001 0.000 0.271 346 R C -0.317 175.648 176.300 -0.558 0.000 1.043 346 R CA 0.215 55.895 56.100 -0.701 0.000 1.083 346 R CB 0.311 29.854 30.300 -1.262 0.000 0.974 346 R HN 0.746 nan 8.270 nan 0.000 0.436 347 N N 2.603 120.972 118.700 -0.551 0.000 2.701 347 N HA 0.133 4.873 4.740 -0.001 0.000 0.258 347 N C -1.680 173.657 175.510 -0.289 0.000 1.262 347 N CA -0.315 52.536 53.050 -0.332 0.000 0.780 347 N CB 0.434 38.859 38.487 -0.104 0.000 1.380 347 N HN 0.227 nan 8.380 nan 0.000 0.548 348 F N 2.023 121.974 119.950 0.003 0.000 2.467 348 F HA 0.320 4.846 4.527 -0.001 0.000 0.362 348 F C 0.680 176.503 175.800 0.039 0.000 1.090 348 F CA -0.663 57.355 58.000 0.030 0.000 1.202 348 F CB 0.835 39.834 39.000 -0.002 0.000 1.113 348 F HN 0.128 nan 8.300 nan 0.000 0.541 349 V N 0.376 120.434 119.914 0.240 0.000 2.525 349 V HA 0.456 4.576 4.120 -0.001 0.000 0.299 349 V C -0.093 176.086 176.094 0.142 0.000 1.034 349 V CA -1.340 61.051 62.300 0.152 0.000 0.863 349 V CB 1.194 33.088 31.823 0.119 0.000 0.999 349 V HN 0.907 nan 8.190 nan 0.000 0.423 350 N N 3.512 122.274 118.700 0.103 0.000 2.740 350 N HA -0.230 4.509 4.740 -0.001 0.000 0.248 350 N C 1.250 176.812 175.510 0.088 0.000 1.062 350 N CA 0.697 53.792 53.050 0.075 0.000 0.704 350 N CB -1.048 37.477 38.487 0.064 0.000 0.968 350 N HN 1.885 nan 8.380 nan 0.000 0.547 351 G N 0.073 108.933 108.800 0.100 0.000 2.328 351 G HA2 -0.399 3.561 3.960 -0.001 0.000 0.256 351 G HA3 -0.399 3.561 3.960 -0.001 0.000 0.256 351 G C -0.089 174.924 174.900 0.188 0.000 1.014 351 G CA 0.944 46.084 45.100 0.067 0.000 0.620 351 G HN 0.652 nan 8.290 nan 0.000 0.530 352 E N 1.116 121.481 120.200 0.275 0.000 2.249 352 E HA 0.418 4.768 4.350 -0.001 0.000 0.280 352 E C -0.998 175.894 176.600 0.487 0.000 1.016 352 E CA -0.636 56.003 56.400 0.398 0.000 0.830 352 E CB 0.633 30.486 29.700 0.256 0.000 1.081 352 E HN 0.091 nan 8.360 nan 0.000 0.395 353 D N 4.123 124.855 120.400 0.552 0.000 2.352 353 D HA 0.007 4.647 4.640 -0.001 0.000 0.245 353 D C 0.935 177.391 176.300 0.260 0.000 1.224 353 D CA -0.365 53.770 54.000 0.225 0.000 0.879 353 D CB 1.209 42.073 40.800 0.107 0.000 1.057 353 D HN 0.295 nan 8.370 nan 0.000 0.491 354 V N 1.700 121.734 119.914 0.200 0.000 3.380 354 V HA 0.069 4.189 4.120 -0.001 0.000 0.268 354 V C 0.891 177.199 176.094 0.357 0.000 1.168 354 V CA 0.588 63.051 62.300 0.273 0.000 1.156 354 V CB -0.459 31.494 31.823 0.217 0.000 0.785 354 V HN 0.389 nan 8.190 nan 0.000 0.487 355 N N 1.819 120.652 118.700 0.222 0.000 2.273 355 N HA 0.053 4.793 4.740 -0.001 0.000 0.231 355 N C 0.891 176.360 175.510 -0.068 0.000 1.134 355 N CA 0.739 53.831 53.050 0.070 0.000 0.856 355 N CB 0.199 38.735 38.487 0.083 0.000 1.068 355 N HN 0.781 nan 8.380 nan 0.000 0.510 356 D N -0.286 120.208 120.400 0.157 0.000 2.363 356 D HA -0.116 4.523 4.640 -0.001 0.000 0.226 356 D C 1.476 177.933 176.300 0.262 0.000 1.020 356 D CA 0.004 54.059 54.000 0.092 0.000 0.892 356 D CB -0.415 40.556 40.800 0.286 0.000 0.900 356 D HN 0.481 nan 8.370 nan 0.000 0.531 357 W N 0.710 122.221 121.300 0.352 0.000 2.872 357 W HA 0.305 4.965 4.660 -0.000 0.000 0.266 357 W C 0.490 177.170 176.519 0.267 0.000 1.276 357 W CA -0.765 56.851 57.345 0.451 0.000 1.471 357 W CB -0.600 29.105 29.460 0.409 0.000 1.071 357 W HN -0.273 nan 8.180 nan 0.000 0.619 358 I N 3.020 122.972 120.570 -1.030 0.000 3.089 358 I HA -0.120 4.050 4.170 -0.001 0.000 0.321 358 I C 1.499 177.542 176.117 -0.123 0.000 1.222 358 I CA 1.211 61.951 61.300 -0.934 0.000 1.452 358 I CB -0.141 37.462 38.000 -0.662 0.000 1.321 358 I HN -0.048 nan 8.210 nan 0.000 0.539 359 G N 7.842 116.574 108.800 -0.114 0.000 2.535 359 G HA2 0.392 4.351 3.960 -0.001 0.000 0.282 359 G HA3 0.392 4.351 3.960 -0.001 0.000 0.282 359 G C -2.459 172.106 174.900 -0.559 0.000 1.350 359 G CA -0.872 44.166 45.100 -0.102 0.000 1.039 359 G HN 0.462 nan 8.290 nan 0.000 0.509 360 P HA 0.197 nan 4.420 nan 0.000 0.271 360 P C -2.646 174.151 177.300 -0.839 0.000 1.218 360 P CA -1.044 61.259 63.100 -1.329 0.000 0.780 360 P CB 0.280 31.525 31.700 -0.758 0.000 0.901 361 P HA -0.041 nan 4.420 nan 0.000 0.263 361 P C -0.221 176.851 177.300 -0.380 0.000 1.168 361 P CA 1.013 63.747 63.100 -0.611 0.000 0.759 361 P CB -0.063 31.130 31.700 -0.844 0.000 0.782 362 N N 0.618 119.177 118.700 -0.235 0.000 3.227 362 N HA 0.372 5.112 4.740 -0.001 0.000 0.241 362 N C -1.765 173.687 175.510 -0.096 0.000 1.480 362 N CA -0.984 51.979 53.050 -0.146 0.000 0.886 362 N CB 0.814 39.214 38.487 -0.145 0.000 1.406 362 N HN 0.042 nan 8.380 nan 0.000 0.514 363 N N -0.433 118.227 118.700 -0.068 0.000 2.448 363 N HA 0.398 5.138 4.740 -0.001 0.000 0.279 363 N C -1.252 174.234 175.510 -0.040 0.000 1.025 363 N CA -0.686 52.336 53.050 -0.047 0.000 0.898 363 N CB 1.090 39.555 38.487 -0.036 0.000 1.303 363 N HN 0.786 nan 8.380 nan 0.000 0.495 364 N N 1.612 120.293 118.700 -0.031 0.000 2.678 364 N HA -0.252 4.487 4.740 -0.001 0.000 0.249 364 N C 0.912 176.402 175.510 -0.033 0.000 1.119 364 N CA 1.394 54.429 53.050 -0.025 0.000 0.718 364 N CB -0.957 37.518 38.487 -0.020 0.000 1.060 364 N HN 0.961 nan 8.380 nan 0.000 0.552 365 G N -2.428 106.345 108.800 -0.045 0.000 2.279 365 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.223 365 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.223 365 G C 0.077 174.936 174.900 -0.068 0.000 1.015 365 G CA 0.078 45.144 45.100 -0.056 0.000 0.621 365 G HN 1.258 nan 8.290 nan 0.000 0.506 366 V N 1.698 121.577 119.914 -0.059 0.000 2.446 366 V HA 0.605 4.725 4.120 -0.001 0.000 0.276 366 V C 0.991 177.045 176.094 -0.067 0.000 1.030 366 V CA -1.532 60.732 62.300 -0.060 0.000 1.033 366 V CB 0.432 32.228 31.823 -0.045 0.000 0.993 366 V HN 0.340 nan 8.190 nan 0.000 0.477 367 I N 4.641 125.166 120.570 -0.075 0.000 2.821 367 I HA 0.071 4.240 4.170 -0.001 0.000 0.294 367 I C 1.101 177.212 176.117 -0.010 0.000 1.210 367 I CA 0.455 61.722 61.300 -0.055 0.000 1.430 367 I CB -0.608 37.365 38.000 -0.046 0.000 1.356 367 I HN 0.783 nan 8.210 nan 0.000 0.563 368 K N 5.723 126.136 120.400 0.021 0.000 2.276 368 K HA 0.092 4.411 4.320 -0.001 0.000 0.259 368 K C 0.594 177.275 176.600 0.135 0.000 1.001 368 K CA -0.450 55.873 56.287 0.060 0.000 0.927 368 K CB 0.679 33.204 32.500 0.041 0.000 0.969 368 K HN 0.637 nan 8.250 nan 0.000 0.490 369 E N 0.371 120.590 120.200 0.033 0.000 2.345 369 E HA 0.131 4.481 4.350 -0.001 0.000 0.259 369 E C -0.853 175.653 176.600 -0.156 0.000 1.117 369 E CA -0.780 55.557 56.400 -0.104 0.000 0.913 369 E CB 0.847 30.487 29.700 -0.100 0.000 1.057 369 E HN 0.083 nan 8.360 nan 0.000 0.432 370 V N 2.733 122.319 119.914 -0.547 0.000 2.368 370 V HA 0.146 4.266 4.120 -0.001 0.000 0.266 370 V C 0.324 176.234 176.094 -0.307 0.000 1.045 370 V CA -0.282 61.571 62.300 -0.744 0.000 0.899 370 V CB 0.318 31.256 31.823 -1.474 0.000 1.006 370 V HN 0.804 nan 8.190 nan 0.000 0.470 371 T N 4.073 118.562 114.554 -0.108 0.000 2.882 371 T HA 0.653 5.002 4.350 -0.001 0.000 0.287 371 T C -0.394 174.290 174.700 -0.026 0.000 0.992 371 T CA -0.729 61.343 62.100 -0.047 0.000 1.076 371 T CB 1.395 70.264 68.868 0.001 0.000 0.961 371 T HN 0.215 nan 8.240 nan 0.000 0.490 372 I N 2.929 123.486 120.570 -0.021 0.000 2.359 372 I HA 0.341 4.510 4.170 -0.001 0.000 0.294 372 I C 0.556 176.678 176.117 0.008 0.000 0.987 372 I CA -0.906 60.390 61.300 -0.007 0.000 1.225 372 I CB 0.824 38.820 38.000 -0.008 0.000 1.366 372 I HN 0.796 nan 8.210 nan 0.000 0.466 373 N N 3.050 121.760 118.700 0.017 0.000 2.458 373 N HA 0.430 5.170 4.740 -0.001 0.000 0.271 373 N C 1.101 176.623 175.510 0.020 0.000 1.210 373 N CA -0.476 52.587 53.050 0.020 0.000 0.978 373 N CB 1.421 39.925 38.487 0.027 0.000 1.206 373 N HN 0.685 nan 8.380 nan 0.000 0.536 374 A N 0.793 123.624 122.820 0.017 0.000 1.908 374 A HA -0.219 4.100 4.320 -0.001 0.000 0.218 374 A C 1.353 178.948 177.584 0.020 0.000 1.181 374 A CA 1.969 54.016 52.037 0.016 0.000 0.627 374 A CB -0.608 18.399 19.000 0.012 0.000 0.818 374 A HN 0.881 nan 8.150 nan 0.000 0.445 375 D N -1.208 119.203 120.400 0.020 0.000 2.363 375 D HA -0.035 4.605 4.640 -0.001 0.000 0.226 375 D C 0.965 177.287 176.300 0.036 0.000 1.020 375 D CA 1.405 55.418 54.000 0.021 0.000 0.892 375 D CB -1.049 39.758 40.800 0.013 0.000 0.900 375 D HN 0.800 nan 8.370 nan 0.000 0.531 376 T N -4.614 109.962 114.554 0.036 0.000 5.975 376 T HA -0.270 4.080 4.350 -0.001 0.000 0.273 376 T C 0.549 175.264 174.700 0.024 0.000 2.189 376 T CA 1.389 63.513 62.100 0.039 0.000 3.660 376 T CB -3.073 65.840 68.868 0.076 0.000 1.044 376 T HN 0.587 nan 8.240 nan 0.000 1.166 377 T N -1.064 113.517 114.554 0.044 0.000 2.729 377 T HA 0.656 5.005 4.350 -0.001 0.000 0.298 377 T C 0.994 175.728 174.700 0.056 0.000 1.013 377 T CA -0.228 61.916 62.100 0.073 0.000 0.957 377 T CB 1.078 70.003 68.868 0.094 0.000 1.130 377 T HN 0.642 nan 8.240 nan 0.000 0.526 378 c N -0.296 118.361 118.600 0.096 0.000 2.407 378 c HA 0.905 5.474 4.570 -0.001 0.000 0.366 378 c C 1.414 175.574 174.090 0.117 0.000 1.213 378 c CA -0.273 56.116 56.329 0.100 0.000 2.011 378 c CB 0.946 43.550 42.510 0.157 0.000 2.306 378 c HN 1.195 nan 8.230 nan 0.000 0.527 379 G N -0.148 108.724 108.800 0.119 0.000 2.890 379 G HA2 0.374 4.333 3.960 -0.001 0.000 0.189 379 G HA3 0.374 4.333 3.960 -0.001 0.000 0.189 379 G C -0.131 174.865 174.900 0.159 0.000 1.342 379 G CA -0.225 44.939 45.100 0.106 0.000 1.026 379 G HN 0.769 nan 8.290 nan 0.000 0.579 380 N N 0.850 119.599 118.700 0.081 0.000 2.701 380 N HA -0.168 4.571 4.740 -0.001 0.000 0.252 380 N C -0.178 175.210 175.510 -0.203 0.000 1.002 380 N CA 1.405 54.454 53.050 -0.001 0.000 0.758 380 N CB -0.530 38.015 38.487 0.097 0.000 0.937 380 N HN 0.615 nan 8.380 nan 0.000 0.538 381 D N -4.023 116.305 120.400 -0.120 0.000 3.079 381 D HA -0.232 4.408 4.640 -0.001 0.000 0.214 381 D C -0.342 175.830 176.300 -0.214 0.000 1.145 381 D CA 1.090 54.989 54.000 -0.169 0.000 0.958 381 D CB -1.514 39.156 40.800 -0.217 0.000 1.117 381 D HN 0.575 nan 8.370 nan 0.000 0.416 382 W N 0.380 121.673 121.300 -0.011 0.000 2.322 382 W HA 0.433 5.092 4.660 -0.001 0.000 0.307 382 W C 1.605 178.126 176.519 0.003 0.000 1.220 382 W CA -0.770 56.584 57.345 0.015 0.000 1.210 382 W CB 0.857 30.294 29.460 -0.039 0.000 1.223 382 W HN -0.198 nan 8.180 nan 0.000 0.511 383 V N 3.816 123.795 119.914 0.109 0.000 2.488 383 V HA -0.169 3.950 4.120 -0.001 0.000 0.246 383 V C 1.102 177.256 176.094 0.100 0.000 1.046 383 V CA 1.061 63.338 62.300 -0.038 0.000 1.053 383 V CB -0.553 30.939 31.823 -0.550 0.000 0.679 383 V HN 0.848 nan 8.190 nan 0.000 0.458 384 c N 1.369 120.064 118.600 0.159 0.000 3.896 384 c HA -0.146 4.423 4.570 -0.001 0.000 0.300 384 c C 1.474 175.511 174.090 -0.090 0.000 1.322 384 c CA 0.708 57.163 56.329 0.210 0.000 2.130 384 c CB -2.896 39.728 42.510 0.189 0.000 1.363 384 c HN 0.800 nan 8.230 nan 0.000 0.642 385 E N 0.601 120.563 120.200 -0.398 0.000 2.130 385 E HA -0.210 4.140 4.350 -0.001 0.000 0.196 385 E C 1.948 178.349 176.600 -0.332 0.000 0.998 385 E CA 1.779 57.556 56.400 -1.039 0.000 0.806 385 E CB -0.183 29.052 29.700 -0.775 0.000 0.738 385 E HN 0.971 nan 8.360 nan 0.000 0.459 386 H N 0.075 119.051 119.070 -0.157 0.000 2.541 386 H HA 0.030 4.586 4.556 -0.001 0.000 0.289 386 H C 1.225 176.692 175.328 0.232 0.000 1.054 386 H CA 1.048 57.164 56.048 0.114 0.000 1.250 386 H CB -0.098 29.682 29.762 0.030 0.000 1.369 386 H HN 0.094 nan 8.280 nan 0.000 0.578 387 R N -0.793 119.555 120.500 -0.254 0.000 2.362 387 R HA 0.067 4.407 4.340 -0.001 0.000 0.227 387 R C -0.292 176.189 176.300 0.303 0.000 0.905 387 R CA -0.474 55.568 56.100 -0.097 0.000 1.067 387 R CB 0.303 30.383 30.300 -0.367 0.000 1.078 387 R HN 0.089 nan 8.270 nan 0.000 0.516 388 W N 1.978 123.339 121.300 0.102 0.000 2.303 388 W HA 0.156 4.815 4.660 -0.001 0.000 0.318 388 W C 1.540 178.144 176.519 0.142 0.000 1.362 388 W CA -1.080 56.337 57.345 0.120 0.000 1.234 388 W CB 0.052 29.605 29.460 0.155 0.000 1.248 388 W HN 0.077 nan 8.180 nan 0.000 0.546 389 R N 1.891 122.564 120.500 0.287 0.000 2.133 389 R HA -0.290 4.049 4.340 -0.001 0.000 0.245 389 R C 1.324 177.743 176.300 0.198 0.000 1.137 389 R CA 2.536 58.752 56.100 0.192 0.000 0.947 389 R CB 0.061 30.416 30.300 0.092 0.000 0.865 389 R HN 0.436 nan 8.270 nan 0.000 0.437 390 E N -0.006 120.317 120.200 0.207 0.000 2.265 390 E HA -0.142 4.208 4.350 -0.001 0.000 0.196 390 E C 1.722 178.488 176.600 0.277 0.000 0.996 390 E CA 1.054 57.574 56.400 0.199 0.000 0.832 390 E CB 0.031 29.873 29.700 0.236 0.000 0.756 390 E HN 0.413 nan 8.360 nan 0.000 0.491 391 I N -0.233 120.541 120.570 0.340 0.000 2.512 391 I HA -0.023 4.147 4.170 -0.001 0.000 0.247 391 I C 2.374 178.653 176.117 0.270 0.000 1.094 391 I CA 0.580 62.057 61.300 0.296 0.000 1.427 391 I CB -0.903 37.288 38.000 0.319 0.000 1.149 391 I HN 0.083 nan 8.210 nan 0.000 0.438 392 R N 1.577 122.281 120.500 0.341 0.000 2.112 392 R HA -0.232 4.107 4.340 -0.001 0.000 0.242 392 R C 1.942 178.392 176.300 0.250 0.000 1.137 392 R CA 2.249 58.569 56.100 0.365 0.000 0.944 392 R CB -0.170 30.352 30.300 0.370 0.000 0.857 392 R HN 0.358 nan 8.270 nan 0.000 0.435 393 N N -0.117 118.715 118.700 0.220 0.000 2.244 393 N HA -0.125 4.615 4.740 -0.001 0.000 0.183 393 N C 1.597 177.282 175.510 0.292 0.000 1.016 393 N CA 1.135 54.329 53.050 0.240 0.000 0.866 393 N CB -0.137 38.456 38.487 0.176 0.000 0.980 393 N HN 0.251 nan 8.380 nan 0.000 0.430 394 M N 0.307 120.027 119.600 0.200 0.000 2.319 394 M HA 0.012 4.491 4.480 -0.001 0.000 0.265 394 M C 1.942 178.318 176.300 0.126 0.000 1.068 394 M CA 0.619 56.006 55.300 0.144 0.000 1.118 394 M CB -0.697 31.936 32.600 0.055 0.000 1.395 394 M HN 0.060 nan 8.290 nan 0.000 0.435 395 V N -3.043 116.898 119.914 0.045 0.000 2.548 395 V HA -0.172 3.948 4.120 -0.001 0.000 0.249 395 V C 2.144 178.193 176.094 -0.075 0.000 1.055 395 V CA 1.026 63.246 62.300 -0.132 0.000 1.065 395 V CB -1.169 30.367 31.823 -0.478 0.000 0.681 395 V HN 0.552 nan 8.190 nan 0.000 0.462 396 W N 0.546 121.788 121.300 -0.097 0.000 2.381 396 W HA -0.160 4.499 4.660 -0.001 0.000 0.301 396 W C 2.377 178.823 176.519 -0.122 0.000 1.205 396 W CA 1.677 58.965 57.345 -0.095 0.000 1.285 396 W CB -0.383 29.060 29.460 -0.029 0.000 1.133 396 W HN 0.400 nan 8.180 nan 0.000 0.521 397 F N 1.656 121.597 119.950 -0.015 0.000 2.091 397 F HA -0.264 4.262 4.527 -0.001 0.000 0.299 397 F C 2.788 178.468 175.800 -0.199 0.000 1.103 397 F CA 2.769 60.679 58.000 -0.150 0.000 1.228 397 F CB -0.660 38.383 39.000 0.071 0.000 0.984 397 F HN -0.250 nan 8.300 nan 0.000 0.477 398 R N 0.556 121.164 120.500 0.180 0.000 2.091 398 R HA -0.198 4.141 4.340 -0.001 0.000 0.238 398 R C 2.016 178.211 176.300 -0.176 0.000 1.136 398 R CA 2.140 58.264 56.100 0.039 0.000 0.959 398 R CB -0.526 29.759 30.300 -0.026 0.000 0.856 398 R HN 0.491 nan 8.270 nan 0.000 0.437 399 N N -0.682 117.830 118.700 -0.313 0.000 2.058 399 N HA -0.162 4.578 4.740 -0.001 0.000 0.191 399 N C 1.758 177.017 175.510 -0.418 0.000 1.037 399 N CA 1.398 54.199 53.050 -0.415 0.000 0.848 399 N CB -0.021 38.059 38.487 -0.677 0.000 1.021 399 N HN -0.002 nan 8.380 nan 0.000 0.422 400 V N 1.374 120.972 119.914 -0.528 0.000 2.332 400 V HA -0.164 3.955 4.120 -0.001 0.000 0.248 400 V C 2.106 177.988 176.094 -0.354 0.000 1.055 400 V CA 1.618 63.644 62.300 -0.457 0.000 1.038 400 V CB -0.427 31.037 31.823 -0.598 0.000 0.651 400 V HN 0.359 nan 8.190 nan 0.000 0.450 401 V N -2.098 117.577 119.914 -0.398 0.000 3.633 401 V HA 0.200 4.320 4.120 -0.001 0.000 0.283 401 V C 0.692 176.699 176.094 -0.146 0.000 1.305 401 V CA -0.127 62.005 62.300 -0.281 0.000 1.153 401 V CB -0.607 31.006 31.823 -0.349 0.000 0.950 401 V HN 0.448 nan 8.190 nan 0.000 0.432 402 D N 1.923 122.231 120.400 -0.153 0.000 2.570 402 D HA 0.329 4.968 4.640 -0.001 0.000 0.243 402 D C 1.481 177.743 176.300 -0.064 0.000 1.171 402 D CA 2.011 55.952 54.000 -0.099 0.000 0.879 402 D CB 0.176 40.904 40.800 -0.121 0.000 1.143 402 D HN 0.629 nan 8.370 nan 0.000 0.511 403 G N 3.390 112.170 108.800 -0.032 0.000 2.258 403 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.233 403 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.233 403 G C 0.234 175.135 174.900 0.001 0.000 1.006 403 G CA -0.061 45.029 45.100 -0.016 0.000 0.620 403 G HN 0.572 nan 8.290 nan 0.000 0.511 404 Q N 1.942 121.742 119.800 -0.001 0.000 2.332 404 Q HA 0.371 4.710 4.340 -0.001 0.000 0.263 404 Q C -1.956 174.081 176.000 0.062 0.000 0.979 404 Q CA -1.163 54.653 55.803 0.022 0.000 0.885 404 Q CB 1.217 29.959 28.738 0.006 0.000 1.218 404 Q HN 0.453 nan 8.270 nan 0.000 0.405 405 P HA 0.079 nan 4.420 nan 0.000 0.274 405 P C -0.503 176.909 177.300 0.186 0.000 1.237 405 P CA -0.444 62.730 63.100 0.123 0.000 0.793 405 P CB 0.485 32.250 31.700 0.108 0.000 0.977 406 F N 1.797 121.776 119.950 0.048 0.000 2.538 406 F HA 0.365 4.891 4.527 -0.001 0.000 0.371 406 F C -0.130 175.761 175.800 0.153 0.000 1.087 406 F CA 0.563 58.606 58.000 0.072 0.000 1.250 406 F CB 0.090 39.041 39.000 -0.082 0.000 1.110 406 F HN 0.554 nan 8.300 nan 0.000 0.570 407 A N 4.150 126.828 122.820 -0.237 0.000 2.599 407 A HA 0.461 4.780 4.320 -0.001 0.000 0.290 407 A C -0.249 177.337 177.584 0.003 0.000 1.101 407 A CA -0.784 51.212 52.037 -0.067 0.000 0.674 407 A CB 0.740 19.783 19.000 0.073 0.000 1.277 407 A HN 0.818 nan 8.150 nan 0.000 0.419 408 N N 0.134 118.915 118.700 0.136 0.000 2.686 408 N HA -0.151 4.589 4.740 -0.001 0.000 0.261 408 N C -0.458 175.267 175.510 0.359 0.000 1.001 408 N CA 1.458 54.660 53.050 0.252 0.000 0.764 408 N CB -0.673 37.971 38.487 0.261 0.000 0.898 408 N HN 0.658 nan 8.380 nan 0.000 0.544 409 W N 0.931 122.316 121.300 0.143 0.000 2.218 409 W HA 0.430 5.090 4.660 -0.001 0.000 0.326 409 W C -0.209 176.536 176.519 0.377 0.000 1.276 409 W CA -0.528 56.956 57.345 0.233 0.000 1.210 409 W CB 0.486 30.074 29.460 0.214 0.000 1.143 409 W HN 0.359 nan 8.180 nan 0.000 0.563 410 W N 7.461 128.409 121.300 -0.587 0.000 3.296 410 W HA 0.371 5.030 4.660 -0.001 0.000 0.314 410 W C -1.824 174.343 176.519 -0.587 0.000 1.238 410 W CA -0.597 56.559 57.345 -0.315 0.000 1.193 410 W CB 1.046 30.473 29.460 -0.055 0.000 1.383 410 W HN 0.503 nan 8.180 nan 0.000 0.545 411 D N 1.725 121.299 120.400 -1.376 0.000 2.622 411 D HA 0.246 4.886 4.640 -0.001 0.000 0.255 411 D C -0.436 175.052 176.300 -1.354 0.000 1.246 411 D CA -0.665 52.584 54.000 -1.251 0.000 0.795 411 D CB 1.184 41.770 40.800 -0.357 0.000 1.369 411 D HN 0.288 nan 8.370 nan 0.000 0.425 412 N N 0.378 118.560 118.700 -0.863 0.000 2.214 412 N HA 0.218 4.957 4.740 -0.001 0.000 0.214 412 N C 1.285 176.724 175.510 -0.118 0.000 1.132 412 N CA 0.294 53.112 53.050 -0.387 0.000 0.856 412 N CB 0.604 39.039 38.487 -0.086 0.000 1.020 412 N HN 1.067 nan 8.380 nan 0.000 0.509 413 G N -1.065 107.661 108.800 -0.123 0.000 2.199 413 G HA2 -0.318 3.642 3.960 -0.001 0.000 0.254 413 G HA3 -0.318 3.642 3.960 -0.001 0.000 0.254 413 G C 0.416 175.311 174.900 -0.009 0.000 0.982 413 G CA 0.586 45.682 45.100 -0.007 0.000 0.632 413 G HN 0.622 nan 8.290 nan 0.000 0.529 414 S N -0.848 114.827 115.700 -0.042 0.000 3.609 414 S HA 0.444 4.914 4.470 -0.001 0.000 0.182 414 S C 0.854 175.332 174.600 -0.203 0.000 0.942 414 S CA 0.534 58.691 58.200 -0.071 0.000 1.310 414 S CB 0.316 63.569 63.200 0.089 0.000 1.020 414 S HN 0.229 nan 8.310 nan 0.000 0.841 415 N N 1.492 120.049 118.700 -0.238 0.000 2.351 415 N HA 0.276 5.016 4.740 -0.001 0.000 0.254 415 N C -1.208 174.168 175.510 -0.224 0.000 1.241 415 N CA 0.066 52.955 53.050 -0.269 0.000 0.883 415 N CB 0.997 39.307 38.487 -0.295 0.000 1.202 415 N HN 0.462 nan 8.380 nan 0.000 0.512 416 Q N 1.112 120.803 119.800 -0.180 0.000 2.368 416 Q HA 0.508 4.848 4.340 -0.001 0.000 0.263 416 Q C -0.792 175.146 176.000 -0.102 0.000 1.009 416 Q CA -0.384 55.390 55.803 -0.048 0.000 0.818 416 Q CB 2.569 31.354 28.738 0.078 0.000 1.239 416 Q HN -0.094 nan 8.270 nan 0.000 0.464 417 V N 0.634 120.559 119.914 0.019 0.000 3.102 417 V HA 0.958 5.077 4.120 -0.001 0.000 0.312 417 V C -0.886 175.274 176.094 0.110 0.000 1.135 417 V CA -0.823 61.402 62.300 -0.125 0.000 1.022 417 V CB 2.113 33.750 31.823 -0.310 0.000 1.056 417 V HN 0.822 nan 8.190 nan 0.000 0.436 418 A N 2.176 124.947 122.820 -0.082 0.000 2.612 418 A HA 1.041 5.361 4.320 -0.001 0.000 0.293 418 A C -1.447 176.025 177.584 -0.187 0.000 1.075 418 A CA -0.481 51.449 52.037 -0.179 0.000 0.680 418 A CB 2.013 20.963 19.000 -0.082 0.000 1.279 418 A HN 1.927 nan 8.150 nan 0.000 0.411 419 F N -1.573 118.000 119.950 -0.628 0.000 2.878 419 F HA 0.777 5.303 4.527 -0.001 0.000 0.322 419 F C -0.160 175.359 175.800 -0.467 0.000 1.154 419 F CA -0.203 57.587 58.000 -0.350 0.000 0.896 419 F CB 0.475 39.393 39.000 -0.138 0.000 1.313 419 F HN 1.294 nan 8.300 nan 0.000 0.451 420 G N 0.333 109.212 108.800 0.132 0.000 3.015 420 G HA2 0.736 4.695 3.960 -0.001 0.000 0.281 420 G HA3 0.736 4.695 3.960 -0.001 0.000 0.281 420 G C -1.760 173.286 174.900 0.243 0.000 1.386 420 G CA -1.375 43.841 45.100 0.194 0.000 0.959 420 G HN 0.653 nan 8.290 nan 0.000 0.522 421 R N 0.163 120.775 120.500 0.186 0.000 2.467 421 R HA 0.500 4.840 4.340 -0.001 0.000 0.299 421 R C 0.633 176.978 176.300 0.075 0.000 1.120 421 R CA 0.195 56.383 56.100 0.148 0.000 0.940 421 R CB 0.763 31.146 30.300 0.138 0.000 1.161 421 R HN 1.412 nan 8.270 nan 0.000 0.506 422 G N 3.579 112.427 108.800 0.080 0.000 2.574 422 G HA2 -0.408 3.551 3.960 -0.001 0.000 0.286 422 G HA3 -0.408 3.551 3.960 -0.001 0.000 0.286 422 G C 0.238 175.162 174.900 0.041 0.000 1.212 422 G CA 0.536 45.666 45.100 0.051 0.000 0.979 422 G HN 0.683 nan 8.290 nan 0.000 0.557 423 N N 0.667 119.379 118.700 0.020 0.000 2.328 423 N HA 0.208 4.948 4.740 -0.001 0.000 0.247 423 N C 1.187 176.700 175.510 0.006 0.000 1.165 423 N CA 0.063 53.120 53.050 0.012 0.000 0.873 423 N CB 0.565 39.059 38.487 0.011 0.000 1.125 423 N HN 0.700 nan 8.380 nan 0.000 0.513 424 R N -1.007 119.485 120.500 -0.012 0.000 2.509 424 R HA 0.335 4.675 4.340 -0.001 0.000 0.297 424 R C 0.070 176.317 176.300 -0.088 0.000 0.951 424 R CA 0.115 56.194 56.100 -0.036 0.000 1.103 424 R CB 1.345 31.600 30.300 -0.074 0.000 1.283 424 R HN 0.219 nan 8.270 nan 0.000 0.534 425 G N 0.481 109.241 108.800 -0.067 0.000 2.732 425 G HA2 0.495 4.454 3.960 -0.001 0.000 0.296 425 G HA3 0.495 4.454 3.960 -0.001 0.000 0.296 425 G C -2.089 172.929 174.900 0.197 0.000 1.448 425 G CA -0.372 44.688 45.100 -0.067 0.000 0.911 425 G HN 0.007 nan 8.290 nan 0.000 0.528 426 F N 1.720 121.722 119.950 0.086 0.000 2.608 426 F HA 0.793 5.320 4.527 -0.001 0.000 0.309 426 F C -1.395 174.327 175.800 -0.129 0.000 1.103 426 F CA -1.214 56.753 58.000 -0.054 0.000 0.954 426 F CB 2.044 40.977 39.000 -0.112 0.000 1.267 426 F HN 0.443 nan 8.300 nan 0.000 0.444 427 I N 5.920 125.867 120.570 -1.038 0.000 2.686 427 I HA 0.653 4.823 4.170 -0.001 0.000 0.295 427 I C -1.938 173.503 176.117 -1.127 0.000 1.114 427 I CA -0.820 59.912 61.300 -0.947 0.000 1.038 427 I CB 1.891 39.329 38.000 -0.936 0.000 1.238 427 I HN 0.475 nan 8.210 nan 0.000 0.420 428 V N 7.565 126.927 119.914 -0.921 0.000 2.760 428 V HA 0.663 4.782 4.120 -0.001 0.000 0.309 428 V C -1.696 174.089 176.094 -0.515 0.000 1.077 428 V CA -0.308 61.608 62.300 -0.641 0.000 0.910 428 V CB 2.184 33.545 31.823 -0.770 0.000 1.008 428 V HN 0.535 nan 8.190 nan 0.000 0.424 429 F N 3.940 123.814 119.950 -0.126 0.000 2.593 429 F HA 0.659 5.185 4.527 -0.001 0.000 0.320 429 F C 0.071 175.843 175.800 -0.045 0.000 1.060 429 F CA -0.933 57.041 58.000 -0.044 0.000 0.940 429 F CB 1.976 40.914 39.000 -0.103 0.000 1.268 429 F HN 0.550 nan 8.300 nan 0.000 0.475 430 N N 0.941 119.733 118.700 0.152 0.000 2.640 430 N HA 0.187 4.927 4.740 -0.001 0.000 0.262 430 N C -1.343 174.130 175.510 -0.061 0.000 1.174 430 N CA -0.281 52.776 53.050 0.012 0.000 0.791 430 N CB 0.457 38.942 38.487 -0.003 0.000 1.279 430 N HN 0.575 nan 8.380 nan 0.000 0.535 431 N N 1.964 120.581 118.700 -0.138 0.000 2.458 431 N HA 0.204 4.943 4.740 -0.001 0.000 0.274 431 N C -1.257 174.086 175.510 -0.278 0.000 1.242 431 N CA -0.228 52.717 53.050 -0.176 0.000 0.904 431 N CB 0.247 38.622 38.487 -0.187 0.000 1.206 431 N HN 0.462 nan 8.380 nan 0.000 0.510 432 D N -0.755 119.392 120.400 -0.421 0.000 2.272 432 D HA 0.189 4.829 4.640 -0.001 0.000 0.247 432 D C -0.040 175.941 176.300 -0.532 0.000 0.990 432 D CA -0.347 53.221 54.000 -0.719 0.000 0.931 432 D CB 1.293 41.182 40.800 -1.517 0.000 1.195 432 D HN 0.109 nan 8.370 nan 0.000 0.477 433 D N 0.687 120.862 120.400 -0.374 0.000 2.338 433 D HA 0.073 4.713 4.640 -0.001 0.000 0.239 433 D C 0.143 176.527 176.300 0.139 0.000 1.095 433 D CA 0.211 54.189 54.000 -0.037 0.000 0.888 433 D CB -0.070 40.794 40.800 0.106 0.000 0.899 433 D HN 0.340 nan 8.370 nan 0.000 0.525 434 W N -0.489 120.831 121.300 0.032 0.000 3.029 434 W HA 0.451 5.110 4.660 -0.001 0.000 0.339 434 W C -0.301 176.247 176.519 0.048 0.000 1.198 434 W CA -1.171 56.197 57.345 0.037 0.000 1.148 434 W CB 0.391 29.873 29.460 0.036 0.000 1.451 434 W HN -0.440 nan 8.180 nan 0.000 0.564 435 Q N 2.491 122.477 119.800 0.310 0.000 2.315 435 Q HA 0.122 4.462 4.340 -0.001 0.000 0.289 435 Q C -0.970 175.173 176.000 0.239 0.000 1.044 435 Q CA 0.022 55.946 55.803 0.201 0.000 0.920 435 Q CB 1.017 29.859 28.738 0.173 0.000 1.214 435 Q HN 0.828 nan 8.270 nan 0.000 0.392 436 L N 2.487 123.796 121.223 0.143 0.000 2.295 436 L HA 0.451 4.791 4.340 -0.001 0.000 0.285 436 L C -0.839 176.123 176.870 0.153 0.000 1.035 436 L CA -0.070 54.870 54.840 0.167 0.000 0.806 436 L CB 1.503 43.633 42.059 0.118 0.000 1.214 436 L HN 0.569 nan 8.230 nan 0.000 0.426 437 S N 2.987 118.788 115.700 0.169 0.000 2.461 437 S HA 0.586 5.056 4.470 -0.001 0.000 0.245 437 S C -1.414 173.244 174.600 0.097 0.000 1.039 437 S CA -0.417 57.854 58.200 0.117 0.000 1.077 437 S CB 0.884 64.144 63.200 0.101 0.000 1.171 437 S HN 0.739 nan 8.310 nan 0.000 0.433 438 S N 2.122 117.842 115.700 0.032 0.000 2.579 438 S HA 0.620 5.090 4.470 -0.001 0.000 0.272 438 S C -0.955 173.592 174.600 -0.089 0.000 1.141 438 S CA -0.787 57.388 58.200 -0.041 0.000 0.843 438 S CB 2.041 65.141 63.200 -0.165 0.000 1.122 438 S HN 0.603 nan 8.310 nan 0.000 0.468 439 T N 2.614 117.107 114.554 -0.100 0.000 2.744 439 T HA 0.618 4.968 4.350 -0.001 0.000 0.291 439 T C -0.933 173.664 174.700 -0.173 0.000 0.957 439 T CA -0.334 61.696 62.100 -0.118 0.000 1.002 439 T CB 0.119 68.940 68.868 -0.079 0.000 0.919 439 T HN 0.180 nan 8.240 nan 0.000 0.468 440 L N 2.770 123.890 121.223 -0.172 0.000 2.333 440 L HA 0.551 4.891 4.340 -0.001 0.000 0.263 440 L C -0.090 176.638 176.870 -0.236 0.000 1.014 440 L CA -1.039 53.664 54.840 -0.228 0.000 0.820 440 L CB 1.845 43.757 42.059 -0.245 0.000 1.352 440 L HN 0.484 nan 8.230 nan 0.000 0.421 441 Q N -0.078 119.593 119.800 -0.214 0.000 2.294 441 Q HA 0.302 4.641 4.340 -0.001 0.000 0.257 441 Q C 0.696 176.403 176.000 -0.488 0.000 0.955 441 Q CA 0.524 56.185 55.803 -0.236 0.000 0.936 441 Q CB 1.185 29.867 28.738 -0.092 0.000 1.188 441 Q HN 0.769 nan 8.270 nan 0.000 0.420 442 T N 0.501 114.671 114.554 -0.639 0.000 3.044 442 T HA 0.245 4.594 4.350 -0.001 0.000 0.255 442 T C 1.296 175.752 174.700 -0.406 0.000 1.073 442 T CA 0.571 62.042 62.100 -1.048 0.000 1.125 442 T CB -0.155 68.224 68.868 -0.815 0.000 0.908 442 T HN 1.075 nan 8.240 nan 0.000 0.480 443 G N 0.919 109.583 108.800 -0.227 0.000 2.179 443 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.260 443 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.260 443 G C -0.225 174.630 174.900 -0.075 0.000 0.977 443 G CA 0.250 45.298 45.100 -0.087 0.000 0.641 443 G HN 0.584 nan 8.290 nan 0.000 0.533 444 L N 0.911 122.053 121.223 -0.135 0.000 2.375 444 L HA 0.665 5.005 4.340 -0.001 0.000 0.268 444 L C -1.741 175.099 176.870 -0.050 0.000 1.058 444 L CA -2.240 52.541 54.840 -0.098 0.000 0.803 444 L CB 0.703 42.629 42.059 -0.221 0.000 1.212 444 L HN -0.152 nan 8.230 nan 0.000 0.451 445 P HA 0.157 nan 4.420 nan 0.000 0.269 445 P C -0.211 177.124 177.300 0.058 0.000 1.209 445 P CA -0.276 62.850 63.100 0.045 0.000 0.776 445 P CB 0.423 32.165 31.700 0.069 0.000 0.876 446 G N 0.990 109.772 108.800 -0.029 0.000 2.554 446 G HA2 0.458 4.418 3.960 -0.001 0.000 0.238 446 G HA3 0.458 4.418 3.960 -0.001 0.000 0.238 446 G C 0.165 175.000 174.900 -0.110 0.000 1.259 446 G CA 0.470 45.502 45.100 -0.112 0.000 0.843 446 G HN 0.800 nan 8.290 nan 0.000 0.582 447 G N -0.914 107.735 108.800 -0.250 0.000 2.369 447 G HA2 0.432 4.391 3.960 -0.001 0.000 0.293 447 G HA3 0.432 4.391 3.960 -0.001 0.000 0.293 447 G C -0.770 173.991 174.900 -0.231 0.000 1.301 447 G CA -0.310 44.650 45.100 -0.235 0.000 0.913 447 G HN 0.893 nan 8.290 nan 0.000 0.540 448 T N 0.863 115.309 114.554 -0.179 0.000 2.779 448 T HA 0.665 5.015 4.350 -0.001 0.000 0.280 448 T C -1.080 173.512 174.700 -0.181 0.000 0.987 448 T CA 0.041 62.127 62.100 -0.023 0.000 0.966 448 T CB 0.910 69.815 68.868 0.062 0.000 0.933 448 T HN 0.409 nan 8.240 nan 0.000 0.442 449 Y N 0.244 120.517 120.300 -0.045 0.000 2.509 449 Y HA 0.473 5.023 4.550 -0.001 0.000 0.341 449 Y C 0.338 176.210 175.900 -0.045 0.000 1.038 449 Y CA -1.085 56.984 58.100 -0.051 0.000 1.089 449 Y CB 1.272 39.700 38.460 -0.053 0.000 1.241 449 Y HN 0.552 nan 8.280 nan 0.000 0.468 450 c N 2.183 120.837 118.600 0.091 0.000 2.307 450 c HA 0.189 4.759 4.570 -0.001 0.000 0.340 450 c C 0.034 174.128 174.090 0.006 0.000 1.275 450 c CA -0.789 55.553 56.329 0.022 0.000 1.811 450 c CB -0.382 42.115 42.510 -0.021 0.000 2.372 450 c HN 0.709 nan 8.230 nan 0.000 0.531 451 D N 1.834 122.233 120.400 -0.001 0.000 2.383 451 D HA 0.105 4.744 4.640 -0.001 0.000 0.252 451 D C 0.954 177.217 176.300 -0.062 0.000 1.166 451 D CA -0.145 53.834 54.000 -0.035 0.000 0.879 451 D CB 1.071 41.841 40.800 -0.050 0.000 1.164 451 D HN 0.458 nan 8.370 nan 0.000 0.462 452 V N 2.593 122.469 119.914 -0.063 0.000 3.649 452 V HA 0.077 4.196 4.120 -0.001 0.000 0.275 452 V C 1.380 177.436 176.094 -0.064 0.000 1.281 452 V CA 0.128 62.410 62.300 -0.030 0.000 1.143 452 V CB -0.490 31.375 31.823 0.069 0.000 0.892 452 V HN 0.506 nan 8.190 nan 0.000 0.441 453 I N 1.915 122.382 120.570 -0.173 0.000 2.731 453 I HA 0.031 4.201 4.170 -0.001 0.000 0.260 453 I C 2.561 178.545 176.117 -0.222 0.000 1.138 453 I CA 1.800 62.923 61.300 -0.295 0.000 1.461 453 I CB -0.734 36.849 38.000 -0.695 0.000 1.128 453 I HN 0.599 nan 8.210 nan 0.000 0.438 454 S N -0.339 115.251 115.700 -0.183 0.000 2.524 454 S HA 0.406 4.875 4.470 -0.001 0.000 0.216 454 S C 0.961 175.514 174.600 -0.077 0.000 0.987 454 S CA 0.336 58.461 58.200 -0.125 0.000 0.909 454 S CB 0.411 63.544 63.200 -0.111 0.000 0.781 454 S HN 0.434 nan 8.310 nan 0.000 0.521 455 G N -0.306 108.454 108.800 -0.066 0.000 2.500 455 G HA2 0.525 4.484 3.960 -0.001 0.000 0.299 455 G HA3 0.525 4.484 3.960 -0.001 0.000 0.299 455 G C -2.419 172.459 174.900 -0.037 0.000 1.242 455 G CA -0.674 44.400 45.100 -0.043 0.000 0.859 455 G HN 0.282 nan 8.290 nan 0.000 0.481 456 D N -0.946 119.433 120.400 -0.035 0.000 2.592 456 D HA 0.495 5.135 4.640 -0.001 0.000 0.263 456 D C -0.697 175.577 176.300 -0.044 0.000 1.132 456 D CA -0.689 53.286 54.000 -0.041 0.000 0.996 456 D CB 1.992 42.764 40.800 -0.046 0.000 1.442 456 D HN 0.475 nan 8.370 nan 0.000 0.486 457 K N 1.329 121.698 120.400 -0.052 0.000 2.268 457 K HA 0.461 4.780 4.320 -0.001 0.000 0.276 457 K C -1.074 175.495 176.600 -0.051 0.000 1.080 457 K CA -0.607 55.650 56.287 -0.049 0.000 0.910 457 K CB 0.481 32.951 32.500 -0.050 0.000 1.163 457 K HN 0.356 nan 8.250 nan 0.000 0.465 458 V N 1.680 121.568 119.914 -0.043 0.000 2.435 458 V HA 0.717 4.836 4.120 -0.001 0.000 0.290 458 V C 0.816 176.889 176.094 -0.036 0.000 1.030 458 V CA 0.288 62.564 62.300 -0.041 0.000 0.881 458 V CB 0.559 32.361 31.823 -0.035 0.000 0.983 458 V HN 1.036 nan 8.190 nan 0.000 0.445 459 G N 4.904 113.684 108.800 -0.035 0.000 2.634 459 G HA2 -0.394 3.566 3.960 -0.001 0.000 0.318 459 G HA3 -0.394 3.566 3.960 -0.001 0.000 0.318 459 G C 0.636 175.516 174.900 -0.033 0.000 1.207 459 G CA 0.936 46.018 45.100 -0.031 0.000 0.987 459 G HN 1.907 nan 8.290 nan 0.000 0.547 460 N N 1.031 119.712 118.700 -0.032 0.000 2.235 460 N HA 0.312 5.052 4.740 -0.001 0.000 0.231 460 N C 0.494 175.983 175.510 -0.036 0.000 1.177 460 N CA 1.081 54.110 53.050 -0.035 0.000 0.874 460 N CB 0.430 38.898 38.487 -0.032 0.000 1.097 460 N HN 1.240 nan 8.380 nan 0.000 0.518 461 S N -0.700 114.979 115.700 -0.034 0.000 2.810 461 S HA 0.680 5.150 4.470 -0.001 0.000 0.315 461 S C -0.852 173.728 174.600 -0.033 0.000 1.138 461 S CA -0.648 57.533 58.200 -0.032 0.000 0.889 461 S CB 1.410 64.594 63.200 -0.027 0.000 1.236 461 S HN 0.165 nan 8.310 nan 0.000 0.548 462 c N 1.817 120.400 118.600 -0.028 0.000 2.316 462 c HA 0.552 5.122 4.570 -0.001 0.000 0.324 462 c C 1.887 175.961 174.090 -0.027 0.000 1.226 462 c CA -0.156 56.156 56.329 -0.027 0.000 1.450 462 c CB 0.084 42.582 42.510 -0.020 0.000 2.123 462 c HN 1.060 nan 8.230 nan 0.000 0.454 463 T N -0.234 114.303 114.554 -0.029 0.000 3.077 463 T HA 0.134 4.484 4.350 -0.001 0.000 0.269 463 T C 0.947 175.630 174.700 -0.028 0.000 1.146 463 T CA 1.215 63.299 62.100 -0.027 0.000 1.091 463 T CB 0.156 69.008 68.868 -0.027 0.000 0.892 463 T HN 0.859 nan 8.240 nan 0.000 0.533 464 G N 0.619 109.401 108.800 -0.030 0.000 3.247 464 G HA2 0.585 4.544 3.960 -0.001 0.000 0.199 464 G HA3 0.585 4.544 3.960 -0.001 0.000 0.199 464 G C -0.712 174.171 174.900 -0.028 0.000 1.172 464 G CA -1.009 44.071 45.100 -0.034 0.000 0.844 464 G HN 0.218 nan 8.290 nan 0.000 0.619 465 I N 0.953 121.505 120.570 -0.030 0.000 2.813 465 I HA 0.174 4.343 4.170 -0.001 0.000 0.287 465 I C 0.360 176.475 176.117 -0.003 0.000 1.196 465 I CA 0.513 61.802 61.300 -0.017 0.000 1.421 465 I CB 0.695 38.686 38.000 -0.016 0.000 1.365 465 I HN 0.298 nan 8.210 nan 0.000 0.591 466 K N 3.999 124.402 120.400 0.005 0.000 2.259 466 K HA 0.685 5.004 4.320 -0.001 0.000 0.252 466 K C -1.251 175.364 176.600 0.026 0.000 0.936 466 K CA -0.668 55.632 56.287 0.021 0.000 0.810 466 K CB 2.482 34.989 32.500 0.012 0.000 1.143 466 K HN 0.272 nan 8.250 nan 0.000 0.427 467 V N 2.913 122.859 119.914 0.053 0.000 2.656 467 V HA 0.264 4.384 4.120 -0.001 0.000 0.307 467 V C -1.389 174.742 176.094 0.061 0.000 1.051 467 V CA -0.971 61.326 62.300 -0.005 0.000 0.893 467 V CB 1.482 33.287 31.823 -0.029 0.000 0.999 467 V HN 0.668 nan 8.190 nan 0.000 0.426 468 Y N 4.149 124.370 120.300 -0.132 0.000 2.342 468 Y HA 0.674 5.223 4.550 -0.001 0.000 0.338 468 Y C -0.379 175.447 175.900 -0.123 0.000 0.965 468 Y CA -0.683 57.368 58.100 -0.082 0.000 1.159 468 Y CB 1.792 40.196 38.460 -0.093 0.000 1.157 468 Y HN 0.457 nan 8.280 nan 0.000 0.486 469 V N 8.154 127.716 119.914 -0.587 0.000 2.328 469 V HA 0.427 4.547 4.120 -0.001 0.000 0.278 469 V C -0.212 175.444 176.094 -0.731 0.000 1.021 469 V CA -0.182 61.821 62.300 -0.495 0.000 0.838 469 V CB 0.448 32.100 31.823 -0.285 0.000 0.999 469 V HN 0.961 nan 8.190 nan 0.000 0.447 470 S N 4.664 120.063 115.700 -0.502 0.000 2.596 470 S HA 0.081 4.551 4.470 -0.001 0.000 0.260 470 S C 1.589 176.080 174.600 -0.183 0.000 1.336 470 S CA 0.210 58.249 58.200 -0.268 0.000 0.993 470 S CB 0.995 64.222 63.200 0.045 0.000 0.923 470 S HN 1.543 nan 8.310 nan 0.000 0.567 471 S N -0.004 115.645 115.700 -0.087 0.000 2.493 471 S HA -0.170 4.299 4.470 -0.001 0.000 0.243 471 S C 0.943 175.510 174.600 -0.056 0.000 0.991 471 S CA 1.079 59.242 58.200 -0.061 0.000 0.957 471 S CB -0.881 62.305 63.200 -0.023 0.000 0.756 471 S HN 0.914 nan 8.310 nan 0.000 0.521 472 D N -0.272 120.092 120.400 -0.060 0.000 2.349 472 D HA 0.294 4.933 4.640 -0.001 0.000 0.214 472 D C 1.430 177.682 176.300 -0.079 0.000 1.063 472 D CA 0.529 54.498 54.000 -0.053 0.000 0.847 472 D CB -0.450 40.328 40.800 -0.037 0.000 0.933 472 D HN 0.523 nan 8.370 nan 0.000 0.513 473 G N 0.298 109.028 108.800 -0.116 0.000 2.241 473 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.244 473 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.244 473 G C 0.591 175.363 174.900 -0.213 0.000 0.998 473 G CA 0.440 45.444 45.100 -0.160 0.000 0.621 473 G HN 0.803 nan 8.290 nan 0.000 0.519 474 T N -1.067 113.384 114.554 -0.172 0.000 2.898 474 T HA 0.745 5.094 4.350 -0.001 0.000 0.301 474 T C 0.056 174.617 174.700 -0.232 0.000 1.049 474 T CA 0.810 62.799 62.100 -0.186 0.000 1.095 474 T CB 2.010 70.807 68.868 -0.118 0.000 0.976 474 T HN 2.030 nan 8.240 nan 0.000 0.539 475 A N 1.876 124.525 122.820 -0.286 0.000 2.513 475 A HA 0.566 4.885 4.320 -0.001 0.000 0.296 475 A C -0.628 176.646 177.584 -0.517 0.000 1.052 475 A CA -0.942 50.842 52.037 -0.422 0.000 0.714 475 A CB 1.767 20.397 19.000 -0.618 0.000 1.279 475 A HN 0.884 nan 8.150 nan 0.000 0.397 476 Q N 1.351 120.908 119.800 -0.404 0.000 2.296 476 Q HA 0.611 4.950 4.340 -0.001 0.000 0.262 476 Q C -1.745 173.961 176.000 -0.490 0.000 0.981 476 Q CA 0.675 56.292 55.803 -0.310 0.000 0.905 476 Q CB -0.017 28.625 28.738 -0.159 0.000 1.186 476 Q HN 0.435 nan 8.270 nan 0.000 0.399 477 F N 1.525 121.424 119.950 -0.085 0.000 2.508 477 F HA 0.578 5.105 4.527 -0.001 0.000 0.325 477 F C -0.192 175.582 175.800 -0.045 0.000 1.090 477 F CA -0.601 57.358 58.000 -0.069 0.000 0.945 477 F CB 2.443 41.387 39.000 -0.092 0.000 1.156 477 F HN 0.461 nan 8.300 nan 0.000 0.463 478 S N 4.009 119.814 115.700 0.175 0.000 2.733 478 S HA 0.692 5.162 4.470 -0.001 0.000 0.294 478 S C -0.890 173.763 174.600 0.090 0.000 1.149 478 S CA -0.489 57.773 58.200 0.103 0.000 1.034 478 S CB 0.856 64.090 63.200 0.056 0.000 1.015 478 S HN 0.412 nan 8.310 nan 0.000 0.486 479 I N 2.251 122.868 120.570 0.079 0.000 2.497 479 I HA 0.291 4.460 4.170 -0.001 0.000 0.284 479 I C -0.007 176.139 176.117 0.047 0.000 1.060 479 I CA -0.422 60.908 61.300 0.050 0.000 1.071 479 I CB 1.972 39.993 38.000 0.035 0.000 1.216 479 I HN 0.548 nan 8.210 nan 0.000 0.442 480 S N 4.944 120.668 115.700 0.039 0.000 2.528 480 S HA 0.083 4.553 4.470 -0.001 0.000 0.277 480 S C 1.532 176.147 174.600 0.026 0.000 1.297 480 S CA -0.579 57.646 58.200 0.042 0.000 1.052 480 S CB 0.539 63.762 63.200 0.038 0.000 0.917 480 S HN 0.755 nan 8.310 nan 0.000 0.492 481 N N 3.383 122.094 118.700 0.019 0.000 2.348 481 N HA -0.147 4.593 4.740 -0.001 0.000 0.185 481 N C 0.996 176.511 175.510 0.008 0.000 1.019 481 N CA 1.364 54.408 53.050 -0.010 0.000 0.880 481 N CB -0.585 37.885 38.487 -0.028 0.000 0.965 481 N HN 0.576 nan 8.380 nan 0.000 0.437 482 S N -1.094 114.619 115.700 0.022 0.000 2.618 482 S HA 0.581 5.050 4.470 -0.001 0.000 0.242 482 S C 0.545 175.156 174.600 0.018 0.000 0.972 482 S CA -0.654 57.559 58.200 0.021 0.000 1.004 482 S CB -0.153 63.063 63.200 0.026 0.000 0.778 482 S HN 0.531 nan 8.310 nan 0.000 0.459 483 A N 2.184 125.015 122.820 0.018 0.000 2.322 483 A HA 0.469 4.789 4.320 -0.001 0.000 0.269 483 A C 1.626 179.218 177.584 0.014 0.000 1.094 483 A CA -0.305 51.739 52.037 0.011 0.000 0.807 483 A CB 0.380 19.385 19.000 0.008 0.000 1.047 483 A HN 0.461 nan 8.150 nan 0.000 0.487 484 E N 1.210 121.410 120.200 -0.001 0.000 2.097 484 E HA -0.177 4.172 4.350 -0.001 0.000 0.196 484 E C -0.670 175.944 176.600 0.023 0.000 1.000 484 E CA 1.627 58.025 56.400 -0.003 0.000 0.804 484 E CB -0.188 29.496 29.700 -0.027 0.000 0.740 484 E HN 0.594 nan 8.360 nan 0.000 0.454 485 D N 1.703 122.112 120.400 0.015 0.000 2.421 485 D HA 0.172 4.812 4.640 -0.001 0.000 0.254 485 D C -2.280 174.068 176.300 0.081 0.000 1.238 485 D CA -1.519 52.528 54.000 0.078 0.000 0.919 485 D CB 2.009 42.763 40.800 -0.076 0.000 1.152 485 D HN 0.085 nan 8.370 nan 0.000 0.552 486 P HA 0.044 nan 4.420 nan 0.000 0.269 486 P C -0.613 176.831 177.300 0.240 0.000 1.601 486 P CA 0.013 63.206 63.100 0.155 0.000 0.831 486 P CB -0.900 30.866 31.700 0.110 0.000 1.688 487 F N -1.743 118.132 119.950 -0.125 0.000 2.654 487 F HA 0.665 5.191 4.527 -0.001 0.000 0.308 487 F C -1.438 174.173 175.800 -0.315 0.000 1.108 487 F CA -1.713 56.106 58.000 -0.300 0.000 0.957 487 F CB 1.084 39.783 39.000 -0.501 0.000 1.309 487 F HN -0.352 nan 8.300 nan 0.000 0.446 488 I N 2.380 122.703 120.570 -0.412 0.000 2.646 488 I HA 0.844 5.014 4.170 -0.001 0.000 0.299 488 I C -0.694 175.183 176.117 -0.399 0.000 1.036 488 I CA -1.229 59.839 61.300 -0.388 0.000 1.074 488 I CB 2.146 40.033 38.000 -0.188 0.000 1.258 488 I HN 0.976 nan 8.210 nan 0.000 0.430 489 A N 6.610 129.264 122.820 -0.276 0.000 2.455 489 A HA 0.919 5.238 4.320 -0.001 0.000 0.300 489 A C -1.012 176.576 177.584 0.007 0.000 1.040 489 A CA -0.471 51.459 52.037 -0.178 0.000 0.697 489 A CB 1.607 20.446 19.000 -0.269 0.000 1.265 489 A HN 0.707 nan 8.150 nan 0.000 0.407 490 I N -0.357 120.289 120.570 0.126 0.000 2.894 490 I HA 0.918 5.088 4.170 -0.001 0.000 0.302 490 I C -0.747 175.431 176.117 0.103 0.000 1.188 490 I CA -0.975 60.345 61.300 0.033 0.000 1.014 490 I CB 2.449 40.419 38.000 -0.049 0.000 1.242 490 I HN 0.982 nan 8.210 nan 0.000 0.430 491 H N 2.546 121.697 119.070 0.136 0.000 2.933 491 H HA 0.733 5.289 4.556 -0.001 0.000 0.310 491 H C 0.401 175.837 175.328 0.180 0.000 1.351 491 H CA -0.393 55.666 56.048 0.018 0.000 1.137 491 H CB 1.003 30.656 29.762 -0.181 0.000 1.853 491 H HN 0.654 nan 8.280 nan 0.000 0.539 492 A N -0.080 122.953 122.820 0.354 0.000 1.997 492 A HA -0.209 4.110 4.320 -0.001 0.000 0.221 492 A C 1.353 179.123 177.584 0.311 0.000 1.172 492 A CA 2.067 54.287 52.037 0.305 0.000 0.645 492 A CB -0.816 18.273 19.000 0.147 0.000 0.813 492 A HN 0.766 nan 8.150 nan 0.000 0.454 493 E N -0.480 120.028 120.200 0.512 0.000 2.463 493 E HA 0.029 4.379 4.350 -0.001 0.000 0.193 493 E C 1.232 177.978 176.600 0.243 0.000 1.041 493 E CA 0.515 57.134 56.400 0.366 0.000 0.879 493 E CB 0.127 30.090 29.700 0.440 0.000 0.997 493 E HN 0.723 nan 8.360 nan 0.000 0.478 494 S N 0.151 115.912 115.700 0.102 0.000 2.559 494 S HA 0.112 4.582 4.470 -0.001 0.000 0.226 494 S C 0.610 175.190 174.600 -0.034 0.000 1.000 494 S CA -0.478 57.694 58.200 -0.046 0.000 0.948 494 S CB 0.157 63.195 63.200 -0.270 0.000 0.870 494 S HN -0.017 nan 8.310 nan 0.000 0.497 495 K N 0.930 121.285 120.400 -0.075 0.000 2.355 495 K HA 0.278 4.597 4.320 -0.001 0.000 0.270 495 K C -0.362 176.073 176.600 -0.275 0.000 1.003 495 K CA -0.499 55.518 56.287 -0.450 0.000 0.957 495 K CB 0.310 32.440 32.500 -0.617 0.000 0.939 495 K HN 0.168 nan 8.250 nan 0.000 0.482 496 L N 0.000 121.041 121.223 -0.303 0.000 2.949 496 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 496 L CA 0.000 54.740 54.840 -0.167 0.000 0.813 496 L CB 0.000 41.986 42.059 -0.122 0.000 0.961 496 L HN 0.000 nan 8.230 nan 0.000 0.502