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 3dbr_1_F DATA FIRST_RESID 11 DATA SEQUENCE LDWEGRWNHV KKFLERSGPF THPDFEPSTE SLQFLLDTCK VLVIGAGGLG DATA SEQUENCE CELLKNLALS GFRQIHVIDM DTIDVSNLNR QFLFRPKDIG RPKAEVAAEF DATA SEQUENCE LNDRVPNCNV VPHFNKIQDF NDTFYRQFHI IVCGLDSIIA RRWINGMLIS DATA SEQUENCE LLNYEDGVLD PSSIVPLIDG GTEGFKGNAQ VILPGMTACI ECTLELYPPQ DATA SEQUENCE VNFPMATIAS MPRLPEHCIE YVRMLQWPKE QPFGEGVPLD GDDPEHIQWI DATA SEQUENCE FQKSLERASQ YNIRGVTYRL TQGVVKRIIP AVASTNAVIA AVCATEVFKI DATA SEQUENCE ATSAYIPLNN YLVFNDVDGL YTYTFEAERK ENCPACSQLP QNIQFSPSAK DATA SEQUENCE LQEVLDYLTN SASLQMKSPA ITATLEGKNR TLYLQSVTSI EERTRPNLSK DATA SEQUENCE TLKELGLVDG QELAVADVTT PQTVLFKLHF T 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 11 L HA 0.000 nan 4.340 nan 0.000 0.249 11 L C 0.000 176.932 176.870 0.103 0.000 1.165 11 L CA 0.000 54.898 54.840 0.096 0.000 0.813 11 L CB 0.000 42.110 42.059 0.085 0.000 0.961 12 D N 0.673 121.107 120.400 0.056 0.000 2.278 12 D HA 0.367 5.007 4.640 -0.000 0.000 0.245 12 D C -0.925 175.330 176.300 -0.075 0.000 1.052 12 D CA -0.165 53.771 54.000 -0.108 0.000 0.834 12 D CB 1.630 42.352 40.800 -0.130 0.000 1.194 12 D HN 0.335 nan 8.370 nan 0.000 0.481 13 W N 0.861 122.132 121.300 -0.049 0.000 2.184 13 W HA 0.280 4.940 4.660 -0.000 0.000 0.338 13 W C 0.446 176.930 176.519 -0.058 0.000 1.257 13 W CA -0.758 56.559 57.345 -0.047 0.000 1.243 13 W CB 0.192 29.615 29.460 -0.061 0.000 1.122 13 W HN 0.080 nan 8.180 nan 0.000 0.585 14 E N 1.725 122.049 120.200 0.206 0.000 2.868 14 E HA 0.070 4.420 4.350 -0.000 0.000 0.246 14 E C 1.209 177.864 176.600 0.091 0.000 0.962 14 E CA 2.150 58.613 56.400 0.104 0.000 0.955 14 E CB 0.188 29.953 29.700 0.108 0.000 0.903 14 E HN 0.979 nan 8.360 nan 0.000 0.524 15 G N 4.279 113.057 108.800 -0.036 0.000 2.199 15 G HA2 -0.418 3.542 3.960 -0.000 0.000 0.254 15 G HA3 -0.418 3.542 3.960 -0.000 0.000 0.254 15 G C 1.194 175.986 174.900 -0.179 0.000 0.982 15 G CA 0.586 45.652 45.100 -0.056 0.000 0.632 15 G HN 0.582 nan 8.290 nan 0.000 0.529 16 R N -0.366 119.823 120.500 -0.518 0.000 2.133 16 R HA -0.135 4.205 4.340 -0.000 0.000 0.247 16 R C 1.618 177.447 176.300 -0.786 0.000 1.151 16 R CA 2.312 57.810 56.100 -1.004 0.000 0.971 16 R CB -0.273 28.776 30.300 -2.086 0.000 0.866 16 R HN 0.653 nan 8.270 nan 0.000 0.447 17 W N -0.166 121.036 121.300 -0.164 0.000 2.818 17 W HA 0.284 4.944 4.660 -0.000 0.000 0.403 17 W C 0.894 177.397 176.519 -0.028 0.000 0.991 17 W CA -1.007 56.301 57.345 -0.061 0.000 1.925 17 W CB 0.428 29.851 29.460 -0.062 0.000 1.166 17 W HN 0.037 nan 8.180 nan 0.000 0.605 18 N N 0.311 119.046 118.700 0.058 0.000 2.205 18 N HA -0.188 4.552 4.740 -0.000 0.000 0.186 18 N C 0.741 176.237 175.510 -0.024 0.000 1.015 18 N CA 1.388 54.418 53.050 -0.034 0.000 0.862 18 N CB -0.530 37.853 38.487 -0.173 0.000 0.986 18 N HN 0.455 nan 8.380 nan 0.000 0.429 19 H N -0.757 118.391 119.070 0.130 0.000 2.568 19 H HA 0.104 4.660 4.556 -0.000 0.000 0.275 19 H C 1.269 176.751 175.328 0.257 0.000 1.028 19 H CA 0.059 56.198 56.048 0.152 0.000 1.173 19 H CB 0.499 30.340 29.762 0.131 0.000 1.335 19 H HN -0.007 nan 8.280 nan 0.000 0.614 20 V N -0.955 119.170 119.914 0.352 0.000 3.159 20 V HA -0.065 4.055 4.120 -0.000 0.000 0.234 20 V C 1.801 178.111 176.094 0.359 0.000 1.313 20 V CA 0.190 62.732 62.300 0.403 0.000 1.271 20 V CB 0.332 32.351 31.823 0.327 0.000 1.053 20 V HN 0.162 nan 8.190 nan 0.000 0.476 21 K N 0.764 121.294 120.400 0.217 0.000 2.218 21 K HA -0.205 4.115 4.320 -0.000 0.000 0.205 21 K C 2.078 178.720 176.600 0.070 0.000 1.046 21 K CA 1.172 57.543 56.287 0.140 0.000 0.933 21 K CB -0.139 32.416 32.500 0.091 0.000 0.728 21 K HN 0.303 nan 8.250 nan 0.000 0.454 22 K N 0.364 120.722 120.400 -0.070 0.000 2.063 22 K HA -0.141 4.179 4.320 -0.000 0.000 0.208 22 K C 1.998 178.446 176.600 -0.252 0.000 1.048 22 K CA 1.573 57.694 56.287 -0.276 0.000 0.928 22 K CB -0.402 31.738 32.500 -0.599 0.000 0.713 22 K HN 0.225 nan 8.250 nan 0.000 0.442 23 F N 0.663 120.719 119.950 0.177 0.000 2.456 23 F HA 0.037 4.564 4.527 -0.000 0.000 0.298 23 F C 2.115 178.085 175.800 0.283 0.000 1.104 23 F CA 0.418 58.548 58.000 0.216 0.000 1.435 23 F CB -0.260 38.938 39.000 0.330 0.000 1.078 23 F HN -0.137 nan 8.300 nan 0.000 0.546 24 L N -0.663 120.825 121.223 0.441 0.000 2.408 24 L HA 0.074 4.414 4.340 -0.000 0.000 0.215 24 L C 1.520 178.569 176.870 0.298 0.000 1.081 24 L CA 0.715 55.798 54.840 0.406 0.000 0.840 24 L CB -0.305 41.906 42.059 0.253 0.000 1.002 24 L HN 0.071 nan 8.230 nan 0.000 0.468 25 E N 0.441 120.760 120.200 0.199 0.000 2.474 25 E HA 0.128 4.478 4.350 -0.000 0.000 0.195 25 E C -0.028 176.651 176.600 0.132 0.000 1.039 25 E CA -0.007 56.463 56.400 0.116 0.000 0.881 25 E CB 0.518 30.254 29.700 0.060 0.000 0.970 25 E HN 0.358 nan 8.360 nan 0.000 0.486 26 R N 0.539 121.157 120.500 0.197 0.000 2.621 26 R HA 0.365 4.705 4.340 -0.000 0.000 0.292 26 R C -0.613 175.807 176.300 0.201 0.000 0.969 26 R CA -0.495 55.692 56.100 0.145 0.000 0.887 26 R CB 2.055 32.380 30.300 0.042 0.000 1.180 26 R HN -0.091 nan 8.270 nan 0.000 0.450 27 S N 0.401 116.207 115.700 0.177 0.000 2.584 27 S HA 0.540 5.010 4.470 -0.000 0.000 0.270 27 S C 0.334 174.941 174.600 0.012 0.000 1.346 27 S CA -0.350 57.943 58.200 0.155 0.000 1.018 27 S CB 1.350 64.621 63.200 0.119 0.000 0.899 27 S HN 0.768 nan 8.310 nan 0.000 0.542 28 G N 0.475 109.236 108.800 -0.065 0.000 2.692 28 G HA2 0.545 4.505 3.960 -0.000 0.000 0.291 28 G HA3 0.545 4.505 3.960 -0.000 0.000 0.291 28 G C -2.847 172.016 174.900 -0.062 0.000 1.423 28 G CA -1.097 43.969 45.100 -0.057 0.000 0.843 28 G HN 0.437 nan 8.290 nan 0.000 0.486 29 P HA 0.098 nan 4.420 nan 0.000 0.217 29 P C 1.013 178.135 177.300 -0.298 0.000 1.154 29 P CA 0.656 63.640 63.100 -0.193 0.000 0.841 29 P CB 0.111 31.640 31.700 -0.286 0.000 0.788 30 F N -1.195 118.742 119.950 -0.022 0.000 2.725 30 F HA 0.123 4.650 4.527 -0.000 0.000 0.303 30 F C 1.269 176.987 175.800 -0.136 0.000 1.167 30 F CA 0.259 58.274 58.000 0.026 0.000 1.403 30 F CB -1.256 37.880 39.000 0.226 0.000 1.077 30 F HN -0.196 nan 8.300 nan 0.000 0.537 31 T N -0.612 113.832 114.554 -0.182 0.000 2.898 31 T HA 0.007 4.357 4.350 -0.000 0.000 0.301 31 T C -0.180 174.456 174.700 -0.106 0.000 1.049 31 T CA -0.191 61.689 62.100 -0.368 0.000 1.095 31 T CB 0.205 68.791 68.868 -0.471 0.000 0.976 31 T HN 0.330 nan 8.240 nan 0.000 0.539 32 H N 5.074 124.071 119.070 -0.122 0.000 2.790 32 H HA 0.221 4.777 4.556 -0.000 0.000 0.358 32 H C -1.290 174.070 175.328 0.053 0.000 1.103 32 H CA -1.179 54.875 56.048 0.010 0.000 1.426 32 H CB 1.040 30.834 29.762 0.053 0.000 1.424 32 H HN 0.315 nan 8.280 nan 0.000 0.599 33 P HA -0.164 nan 4.420 nan 0.000 0.216 33 P C 0.328 177.599 177.300 -0.050 0.000 1.150 33 P CA 1.274 64.220 63.100 -0.257 0.000 0.837 33 P CB 0.369 31.872 31.700 -0.328 0.000 0.786 34 D N -1.059 119.397 120.400 0.092 0.000 2.363 34 D HA -0.001 4.639 4.640 -0.000 0.000 0.226 34 D C 0.583 177.019 176.300 0.227 0.000 1.020 34 D CA 0.021 54.156 54.000 0.226 0.000 0.892 34 D CB -0.669 40.325 40.800 0.324 0.000 0.900 34 D HN 0.152 nan 8.370 nan 0.000 0.531 35 F N 1.892 121.913 119.950 0.119 0.000 2.553 35 F HA 0.073 4.600 4.527 -0.000 0.000 0.356 35 F C 0.535 176.337 175.800 0.004 0.000 1.142 35 F CA 0.227 58.257 58.000 0.051 0.000 1.322 35 F CB 0.660 39.678 39.000 0.030 0.000 1.126 35 F HN -0.297 nan 8.300 nan 0.000 0.599 36 E N 6.471 126.038 120.200 -1.055 0.000 2.409 36 E HA 0.209 4.559 4.350 -0.000 0.000 0.259 36 E C -2.605 173.368 176.600 -1.045 0.000 0.932 36 E CA -2.001 53.945 56.400 -0.758 0.000 0.809 36 E CB 1.354 30.814 29.700 -0.400 0.000 1.341 36 E HN 0.314 nan 8.360 nan 0.000 0.405 37 P HA 0.044 nan 4.420 nan 0.000 0.267 37 P C -0.306 176.867 177.300 -0.211 0.000 1.209 37 P CA 0.192 63.118 63.100 -0.291 0.000 0.763 37 P CB 0.875 32.609 31.700 0.058 0.000 0.816 38 S N 1.401 117.007 115.700 -0.157 0.000 2.550 38 S HA 0.309 4.779 4.470 -0.000 0.000 0.270 38 S C 0.357 174.922 174.600 -0.058 0.000 1.145 38 S CA -0.385 57.744 58.200 -0.118 0.000 0.852 38 S CB 1.560 64.657 63.200 -0.171 0.000 1.119 38 S HN 0.370 nan 8.310 nan 0.000 0.465 39 T N 0.918 115.444 114.554 -0.046 0.000 3.144 39 T HA 0.350 4.700 4.350 -0.000 0.000 0.249 39 T C 0.717 175.403 174.700 -0.023 0.000 1.089 39 T CA 0.536 62.624 62.100 -0.020 0.000 0.989 39 T CB -0.331 68.529 68.868 -0.013 0.000 0.992 39 T HN 0.654 nan 8.240 nan 0.000 0.540 40 E N -0.468 119.703 120.200 -0.049 0.000 2.490 40 E HA 0.117 4.467 4.350 -0.000 0.000 0.209 40 E C 1.947 178.531 176.600 -0.026 0.000 0.971 40 E CA 0.001 56.376 56.400 -0.041 0.000 0.988 40 E CB 0.506 30.161 29.700 -0.076 0.000 1.029 40 E HN 0.415 nan 8.360 nan 0.000 0.496 41 S N 1.691 117.361 115.700 -0.050 0.000 2.369 41 S HA -0.245 4.225 4.470 -0.000 0.000 0.225 41 S C 1.922 176.530 174.600 0.012 0.000 1.043 41 S CA 1.359 59.544 58.200 -0.025 0.000 1.074 41 S CB -0.384 62.788 63.200 -0.046 0.000 0.962 41 S HN 0.229 nan 8.310 nan 0.000 0.433 42 L N 1.712 122.919 121.223 -0.027 0.000 2.043 42 L HA -0.173 4.167 4.340 -0.000 0.000 0.212 42 L C 2.379 179.164 176.870 -0.142 0.000 1.075 42 L CA 1.986 56.761 54.840 -0.109 0.000 0.752 42 L CB -0.836 41.159 42.059 -0.107 0.000 0.891 42 L HN 0.193 nan 8.230 nan 0.000 0.432 43 Q N -1.175 118.595 119.800 -0.051 0.000 2.079 43 Q HA -0.217 4.123 4.340 -0.000 0.000 0.200 43 Q C 2.051 178.057 176.000 0.009 0.000 0.974 43 Q CA 1.939 57.724 55.803 -0.030 0.000 0.840 43 Q CB -0.639 28.112 28.738 0.021 0.000 0.898 43 Q HN 0.547 nan 8.270 nan 0.000 0.430 44 F N 0.050 119.936 119.950 -0.108 0.000 2.075 44 F HA -0.201 4.326 4.527 -0.000 0.000 0.297 44 F C 1.859 177.590 175.800 -0.115 0.000 1.113 44 F CA 1.457 59.402 58.000 -0.092 0.000 1.218 44 F CB -0.844 38.104 39.000 -0.087 0.000 0.984 44 F HN 0.277 nan 8.300 nan 0.000 0.472 45 L N 0.484 121.659 121.223 -0.080 0.000 1.963 45 L HA -0.265 4.075 4.340 -0.000 0.000 0.220 45 L C 2.290 178.986 176.870 -0.289 0.000 1.076 45 L CA 2.018 56.710 54.840 -0.246 0.000 0.772 45 L CB -1.297 40.547 42.059 -0.359 0.000 0.892 45 L HN 0.267 nan 8.230 nan 0.000 0.435 46 L N -0.412 120.636 121.223 -0.290 0.000 2.051 46 L HA -0.301 4.039 4.340 -0.000 0.000 0.214 46 L C 2.297 179.075 176.870 -0.153 0.000 1.076 46 L CA 1.811 56.504 54.840 -0.245 0.000 0.758 46 L CB -0.765 41.139 42.059 -0.259 0.000 0.890 46 L HN 0.489 nan 8.230 nan 0.000 0.433 47 D N -1.462 118.838 120.400 -0.168 0.000 2.154 47 D HA -0.118 4.522 4.640 -0.000 0.000 0.211 47 D C 2.161 178.348 176.300 -0.188 0.000 0.977 47 D CA 2.088 55.999 54.000 -0.149 0.000 0.869 47 D CB -0.442 40.274 40.800 -0.141 0.000 1.022 47 D HN 0.371 nan 8.370 nan 0.000 0.461 48 T N -1.441 112.917 114.554 -0.327 0.000 2.976 48 T HA -0.034 4.316 4.350 -0.000 0.000 0.257 48 T C 1.485 176.046 174.700 -0.231 0.000 1.051 48 T CA -0.070 61.839 62.100 -0.318 0.000 1.141 48 T CB -0.753 67.789 68.868 -0.543 0.000 0.881 48 T HN 0.075 nan 8.240 nan 0.000 0.461 49 C N 3.571 122.764 119.300 -0.178 0.000 2.677 49 C HA 0.317 4.777 4.460 -0.000 0.000 0.398 49 C C 0.466 175.398 174.990 -0.098 0.000 1.378 49 C CA -0.635 58.347 59.018 -0.060 0.000 1.543 49 C CB -1.910 25.896 27.740 0.109 0.000 2.356 49 C HN 0.472 nan 8.230 nan 0.000 0.609 50 K N 4.209 124.354 120.400 -0.426 0.000 2.227 50 K HA 0.616 4.936 4.320 -0.000 0.000 0.280 50 K C -0.770 175.809 176.600 -0.035 0.000 1.041 50 K CA -0.289 55.853 56.287 -0.241 0.000 0.905 50 K CB 1.218 33.435 32.500 -0.472 0.000 1.068 50 K HN 0.524 nan 8.250 nan 0.000 0.470 51 V N 4.575 124.549 119.914 0.101 0.000 2.638 51 V HA 0.320 4.440 4.120 -0.000 0.000 0.306 51 V C -1.162 174.883 176.094 -0.082 0.000 1.052 51 V CA -1.054 61.243 62.300 -0.005 0.000 0.885 51 V CB 1.781 33.469 31.823 -0.224 0.000 0.999 51 V HN 0.540 nan 8.190 nan 0.000 0.424 52 L N 6.319 127.287 121.223 -0.425 0.000 2.282 52 L HA 0.717 5.057 4.340 -0.000 0.000 0.288 52 L C -0.600 176.060 176.870 -0.351 0.000 1.033 52 L CA 0.071 54.480 54.840 -0.717 0.000 0.807 52 L CB 1.670 42.709 42.059 -1.700 0.000 1.209 52 L HN 0.424 nan 8.230 nan 0.000 0.423 53 V N 7.126 126.925 119.914 -0.193 0.000 2.347 53 V HA 0.403 4.523 4.120 -0.000 0.000 0.280 53 V C 0.218 176.269 176.094 -0.071 0.000 1.021 53 V CA -0.370 61.861 62.300 -0.115 0.000 0.847 53 V CB 1.210 32.991 31.823 -0.069 0.000 0.990 53 V HN 0.621 nan 8.190 nan 0.000 0.444 54 I N 5.052 125.585 120.570 -0.062 0.000 2.312 54 I HA 0.685 4.855 4.170 -0.000 0.000 0.291 54 I C 0.810 176.925 176.117 -0.003 0.000 1.031 54 I CA 0.124 61.413 61.300 -0.018 0.000 1.293 54 I CB 0.950 38.949 38.000 -0.001 0.000 1.403 54 I HN 0.843 nan 8.210 nan 0.000 0.484 55 G N 4.696 113.505 108.800 0.016 0.000 2.911 55 G HA2 0.198 4.158 3.960 -0.000 0.000 0.686 55 G HA3 0.198 4.158 3.960 -0.000 0.000 0.686 55 G C -0.676 174.236 174.900 0.019 0.000 1.136 55 G CA -0.381 44.731 45.100 0.020 0.000 0.764 55 G HN 1.008 nan 8.290 nan 0.000 0.626 56 A N 0.966 123.809 122.820 0.038 0.000 3.355 56 A HA 0.944 5.264 4.320 -0.000 0.000 0.290 56 A C 0.545 178.187 177.584 0.096 0.000 0.973 56 A CA 0.742 52.809 52.037 0.051 0.000 0.933 56 A CB 0.436 19.485 19.000 0.081 0.000 1.138 56 A HN 2.532 nan 8.150 nan 0.000 0.490 57 G N -0.996 107.826 108.800 0.036 0.000 2.733 57 G HA2 0.634 4.594 3.960 -0.000 0.000 0.297 57 G HA3 0.634 4.594 3.960 -0.000 0.000 0.297 57 G C 0.446 175.339 174.900 -0.012 0.000 1.452 57 G CA 0.584 45.710 45.100 0.044 0.000 0.940 57 G HN 1.871 nan 8.290 nan 0.000 0.547 58 G N 0.519 109.296 108.800 -0.038 0.000 2.601 58 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.306 58 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.306 58 G C 1.519 176.405 174.900 -0.024 0.000 1.172 58 G CA 0.914 46.000 45.100 -0.022 0.000 0.966 58 G HN 1.368 nan 8.290 nan 0.000 0.542 59 L N 1.921 123.132 121.223 -0.020 0.000 2.042 59 L HA 0.069 4.409 4.340 -0.000 0.000 0.210 59 L C 3.347 180.196 176.870 -0.035 0.000 1.076 59 L CA 2.012 56.837 54.840 -0.025 0.000 0.749 59 L CB -0.996 41.047 42.059 -0.028 0.000 0.893 59 L HN 0.719 nan 8.230 nan 0.000 0.432 60 G N -0.554 108.223 108.800 -0.039 0.000 2.514 60 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.217 60 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.217 60 G C 1.634 176.479 174.900 -0.090 0.000 1.198 60 G CA 1.155 46.226 45.100 -0.048 0.000 0.780 60 G HN 0.414 nan 8.290 nan 0.000 0.565 61 C N -0.085 119.111 119.300 -0.174 0.000 2.413 61 C HA -0.015 4.445 4.460 -0.000 0.000 0.278 61 C C 2.745 177.654 174.990 -0.135 0.000 1.224 61 C CA 1.251 60.049 59.018 -0.368 0.000 1.732 61 C CB -0.868 26.412 27.740 -0.766 0.000 2.050 61 C HN 0.614 nan 8.230 nan 0.000 0.463 62 E N 0.641 120.879 120.200 0.064 0.000 2.097 62 E HA -0.195 4.155 4.350 -0.000 0.000 0.196 62 E C 1.940 178.580 176.600 0.066 0.000 1.000 62 E CA 1.330 57.838 56.400 0.181 0.000 0.804 62 E CB -0.417 29.342 29.700 0.098 0.000 0.740 62 E HN 0.594 nan 8.360 nan 0.000 0.454 63 L N -0.360 120.864 121.223 0.002 0.000 2.017 63 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 63 L C 2.485 179.347 176.870 -0.012 0.000 1.073 63 L CA 0.956 55.783 54.840 -0.023 0.000 0.745 63 L CB -0.423 41.605 42.059 -0.051 0.000 0.894 63 L HN 0.212 nan 8.230 nan 0.000 0.432 64 L N -0.171 121.043 121.223 -0.016 0.000 2.042 64 L HA -0.259 4.081 4.340 -0.000 0.000 0.210 64 L C 2.765 179.666 176.870 0.052 0.000 1.076 64 L CA 1.404 56.245 54.840 0.001 0.000 0.749 64 L CB -0.520 41.522 42.059 -0.029 0.000 0.893 64 L HN 0.308 nan 8.230 nan 0.000 0.432 65 K N 0.220 120.668 120.400 0.080 0.000 2.001 65 K HA -0.179 4.141 4.320 -0.000 0.000 0.208 65 K C 1.919 178.583 176.600 0.106 0.000 1.048 65 K CA 1.531 57.895 56.287 0.127 0.000 0.932 65 K CB -0.012 32.613 32.500 0.209 0.000 0.715 65 K HN 0.292 nan 8.250 nan 0.000 0.437 66 N N 1.358 120.101 118.700 0.072 0.000 2.069 66 N HA -0.182 4.558 4.740 -0.000 0.000 0.191 66 N C 2.018 177.595 175.510 0.111 0.000 1.031 66 N CA 1.221 54.305 53.050 0.057 0.000 0.852 66 N CB -0.416 38.077 38.487 0.011 0.000 1.018 66 N HN 0.217 nan 8.380 nan 0.000 0.423 67 L N 0.786 122.066 121.223 0.095 0.000 2.046 67 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 67 L C 2.481 179.537 176.870 0.310 0.000 1.077 67 L CA 1.164 56.099 54.840 0.159 0.000 0.747 67 L CB -0.547 41.482 42.059 -0.050 0.000 0.896 67 L HN 0.128 nan 8.230 nan 0.000 0.432 68 A N 0.138 123.097 122.820 0.230 0.000 1.883 68 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 68 A C 2.103 179.895 177.584 0.348 0.000 1.186 68 A CA 1.511 53.710 52.037 0.269 0.000 0.624 68 A CB -0.715 18.416 19.000 0.218 0.000 0.822 68 A HN 0.416 nan 8.150 nan 0.000 0.444 69 L N -0.367 121.036 121.223 0.300 0.000 2.599 69 L HA 0.051 4.391 4.340 -0.000 0.000 0.230 69 L C 1.516 178.611 176.870 0.376 0.000 1.141 69 L CA 0.425 55.474 54.840 0.348 0.000 0.877 69 L CB 0.015 42.192 42.059 0.196 0.000 1.009 69 L HN 0.230 nan 8.230 nan 0.000 0.447 70 S N -0.312 115.570 115.700 0.302 0.000 2.557 70 S HA 0.284 4.754 4.470 -0.000 0.000 0.223 70 S C 1.331 176.007 174.600 0.126 0.000 0.969 70 S CA 0.620 58.950 58.200 0.216 0.000 0.927 70 S CB 0.686 64.031 63.200 0.243 0.000 0.806 70 S HN 0.620 nan 8.310 nan 0.000 0.489 71 G N 0.916 109.673 108.800 -0.072 0.000 2.168 71 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.197 71 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.197 71 G C -0.094 174.502 174.900 -0.507 0.000 0.997 71 G CA -0.688 44.029 45.100 -0.639 0.000 0.658 71 G HN 0.415 nan 8.290 nan 0.000 0.513 72 F N -0.014 119.891 119.950 -0.075 0.000 2.385 72 F HA 0.742 5.269 4.527 -0.000 0.000 0.336 72 F C 1.482 177.277 175.800 -0.008 0.000 1.100 72 F CA -0.220 57.760 58.000 -0.035 0.000 1.116 72 F CB 1.600 40.614 39.000 0.023 0.000 1.166 72 F HN -0.003 nan 8.300 nan 0.000 0.511 73 R N -0.110 120.487 120.500 0.163 0.000 2.320 73 R HA 0.156 4.496 4.340 -0.000 0.000 0.193 73 R C -0.037 176.339 176.300 0.127 0.000 0.885 73 R CA 0.046 56.219 56.100 0.122 0.000 1.085 73 R CB 0.381 30.712 30.300 0.050 0.000 1.253 73 R HN 0.454 nan 8.270 nan 0.000 0.636 74 Q N 1.856 121.730 119.800 0.124 0.000 2.664 74 Q HA 0.249 4.589 4.340 -0.000 0.000 0.223 74 Q C -0.793 175.333 176.000 0.209 0.000 1.298 74 Q CA 0.438 56.319 55.803 0.130 0.000 0.965 74 Q CB 0.206 28.984 28.738 0.067 0.000 1.510 74 Q HN 0.359 nan 8.270 nan 0.000 0.567 75 I N 1.051 121.745 120.570 0.207 0.000 2.474 75 I HA 0.372 4.542 4.170 -0.000 0.000 0.294 75 I C 0.203 176.495 176.117 0.290 0.000 1.005 75 I CA -0.764 60.673 61.300 0.228 0.000 1.113 75 I CB 1.647 39.715 38.000 0.112 0.000 1.289 75 I HN 0.311 nan 8.210 nan 0.000 0.436 76 H N 4.350 123.499 119.070 0.133 0.000 2.569 76 H HA 0.681 5.237 4.556 -0.000 0.000 0.357 76 H C -1.152 174.234 175.328 0.097 0.000 1.153 76 H CA -1.039 55.127 56.048 0.197 0.000 1.193 76 H CB 3.041 33.080 29.762 0.461 0.000 1.602 76 H HN 0.227 nan 8.280 nan 0.000 0.523 77 V N 4.467 124.529 119.914 0.247 0.000 2.577 77 V HA 0.274 4.394 4.120 -0.000 0.000 0.303 77 V C -0.157 176.055 176.094 0.196 0.000 1.042 77 V CA -0.579 61.805 62.300 0.141 0.000 0.872 77 V CB 1.885 33.751 31.823 0.071 0.000 0.998 77 V HN 0.560 nan 8.190 nan 0.000 0.423 78 I N 3.762 124.414 120.570 0.136 0.000 2.354 78 I HA 0.626 4.796 4.170 -0.000 0.000 0.292 78 I C -0.825 175.360 176.117 0.114 0.000 0.989 78 I CA -0.082 61.303 61.300 0.142 0.000 1.188 78 I CB 1.695 39.709 38.000 0.023 0.000 1.342 78 I HN 0.655 nan 8.210 nan 0.000 0.457 79 D N 5.371 125.864 120.400 0.156 0.000 2.871 79 D HA 0.276 4.916 4.640 -0.000 0.000 0.209 79 D C 0.139 176.575 176.300 0.228 0.000 1.292 79 D CA -0.545 53.533 54.000 0.130 0.000 0.869 79 D CB 1.371 42.219 40.800 0.081 0.000 1.663 79 D HN 0.558 nan 8.370 nan 0.000 0.557 80 M N 0.039 119.757 119.600 0.197 0.000 2.494 80 M HA 0.404 4.884 4.480 -0.000 0.000 0.232 80 M C -0.476 176.018 176.300 0.323 0.000 1.137 80 M CA -0.001 55.461 55.300 0.269 0.000 1.012 80 M CB 0.305 32.949 32.600 0.073 0.000 1.567 80 M HN -0.011 nan 8.290 nan 0.000 0.486 81 D N 1.378 121.882 120.400 0.173 0.000 2.340 81 D HA 0.320 4.960 4.640 -0.000 0.000 0.251 81 D C -0.501 175.763 176.300 -0.060 0.000 1.080 81 D CA -0.050 53.988 54.000 0.063 0.000 0.971 81 D CB 1.674 42.475 40.800 0.002 0.000 1.137 81 D HN 0.011 nan 8.370 nan 0.000 0.475 82 T N 0.628 115.134 114.554 -0.081 0.000 2.855 82 T HA 0.407 4.757 4.350 -0.000 0.000 0.281 82 T C 0.547 175.130 174.700 -0.195 0.000 1.007 82 T CA -0.569 61.432 62.100 -0.165 0.000 1.009 82 T CB 0.826 69.645 68.868 -0.082 0.000 0.983 82 T HN 0.139 nan 8.240 nan 0.000 0.455 83 I N 3.241 123.636 120.570 -0.292 0.000 2.692 83 I HA 0.197 4.367 4.170 -0.000 0.000 0.284 83 I C 0.408 176.439 176.117 -0.143 0.000 1.159 83 I CA 0.157 61.280 61.300 -0.296 0.000 1.423 83 I CB 0.525 38.270 38.000 -0.424 0.000 1.380 83 I HN 0.623 nan 8.210 nan 0.000 0.580 84 D N 3.826 124.180 120.400 -0.077 0.000 2.523 84 D HA 0.198 4.838 4.640 -0.000 0.000 0.236 84 D C 0.282 176.583 176.300 0.002 0.000 1.094 84 D CA -0.692 53.288 54.000 -0.034 0.000 0.942 84 D CB 2.046 42.830 40.800 -0.027 0.000 1.447 84 D HN 0.176 nan 8.370 nan 0.000 0.479 85 V N 1.820 121.738 119.914 0.007 0.000 2.343 85 V HA -0.152 3.968 4.120 -0.000 0.000 0.247 85 V C 2.071 178.186 176.094 0.034 0.000 1.051 85 V CA 3.035 65.349 62.300 0.024 0.000 1.036 85 V CB -0.728 31.108 31.823 0.021 0.000 0.654 85 V HN 0.733 nan 8.190 nan 0.000 0.451 86 S N 0.381 116.096 115.700 0.026 0.000 2.419 86 S HA -0.231 4.239 4.470 -0.000 0.000 0.235 86 S C 1.662 176.283 174.600 0.035 0.000 1.019 86 S CA 1.814 60.030 58.200 0.026 0.000 0.982 86 S CB -0.884 62.324 63.200 0.013 0.000 0.789 86 S HN 0.710 nan 8.310 nan 0.000 0.490 87 N N 2.543 121.274 118.700 0.051 0.000 2.069 87 N HA 0.029 4.769 4.740 -0.000 0.000 0.191 87 N C 1.631 177.191 175.510 0.083 0.000 1.031 87 N CA 1.544 54.644 53.050 0.082 0.000 0.852 87 N CB -0.877 37.704 38.487 0.156 0.000 1.018 87 N HN 0.429 nan 8.380 nan 0.000 0.423 88 L N 1.213 122.492 121.223 0.093 0.000 2.283 88 L HA -0.218 4.122 4.340 -0.000 0.000 0.217 88 L C 1.653 178.556 176.870 0.054 0.000 1.104 88 L CA 1.083 55.972 54.840 0.082 0.000 0.772 88 L CB -0.884 41.225 42.059 0.083 0.000 0.899 88 L HN 0.424 nan 8.230 nan 0.000 0.439 89 N N 1.496 120.222 118.700 0.043 0.000 2.515 89 N HA -0.170 4.570 4.740 -0.000 0.000 0.185 89 N C 1.389 176.920 175.510 0.034 0.000 1.109 89 N CA 0.958 54.030 53.050 0.036 0.000 0.903 89 N CB 0.081 38.585 38.487 0.028 0.000 0.969 89 N HN 0.602 nan 8.380 nan 0.000 0.450 90 R N -1.697 118.822 120.500 0.031 0.000 2.504 90 R HA 0.212 4.552 4.340 -0.000 0.000 0.341 90 R C -0.372 175.946 176.300 0.030 0.000 0.905 90 R CA -0.302 55.820 56.100 0.038 0.000 1.133 90 R CB -0.251 30.059 30.300 0.017 0.000 1.704 90 R HN 0.000 nan 8.270 nan 0.000 0.503 91 Q N 1.699 121.462 119.800 -0.061 0.000 2.815 91 Q HA 0.202 4.542 4.340 -0.000 0.000 0.329 91 Q C -0.186 175.473 176.000 -0.569 0.000 1.037 91 Q CA -0.603 54.990 55.803 -0.350 0.000 1.002 91 Q CB 0.492 29.047 28.738 -0.305 0.000 1.274 91 Q HN 0.390 nan 8.270 nan 0.000 0.452 92 F N -1.474 118.253 119.950 -0.371 0.000 2.380 92 F HA -0.173 4.354 4.527 -0.000 0.000 0.299 92 F C 0.774 176.277 175.800 -0.495 0.000 1.064 92 F CA 0.844 58.647 58.000 -0.329 0.000 1.432 92 F CB -0.273 38.574 39.000 -0.256 0.000 1.089 92 F HN 0.270 nan 8.300 nan 0.000 0.562 93 L N -0.609 119.779 121.223 -1.391 0.000 2.591 93 L HA 0.180 4.520 4.340 -0.000 0.000 0.228 93 L C -0.204 176.462 176.870 -0.341 0.000 1.133 93 L CA -0.004 54.078 54.840 -1.262 0.000 0.880 93 L CB -0.461 40.802 42.059 -1.327 0.000 1.033 93 L HN 0.089 nan 8.230 nan 0.000 0.450 94 F N -0.059 119.825 119.950 -0.111 0.000 2.482 94 F HA 0.513 5.040 4.527 -0.000 0.000 0.331 94 F C 0.572 176.403 175.800 0.052 0.000 1.115 94 F CA -1.348 56.651 58.000 -0.001 0.000 0.955 94 F CB 1.263 40.230 39.000 -0.055 0.000 1.136 94 F HN -0.182 nan 8.300 nan 0.000 0.452 95 R N 2.153 122.811 120.500 0.263 0.000 2.705 95 R HA 0.378 4.718 4.340 -0.000 0.000 0.246 95 R C -2.077 174.295 176.300 0.120 0.000 1.142 95 R CA -1.974 54.224 56.100 0.164 0.000 1.114 95 R CB 0.192 30.571 30.300 0.131 0.000 1.256 95 R HN 0.237 nan 8.270 nan 0.000 0.536 96 P HA -0.053 nan 4.420 nan 0.000 0.227 96 P C 0.877 178.196 177.300 0.032 0.000 1.161 96 P CA 1.203 64.334 63.100 0.052 0.000 0.788 96 P CB 0.180 31.905 31.700 0.042 0.000 0.822 97 K N -0.244 120.176 120.400 0.034 0.000 2.147 97 K HA -0.119 4.201 4.320 -0.000 0.000 0.205 97 K C 0.864 177.466 176.600 0.004 0.000 1.049 97 K CA 1.548 57.844 56.287 0.016 0.000 0.936 97 K CB -0.737 31.773 32.500 0.016 0.000 0.722 97 K HN 0.015 nan 8.250 nan 0.000 0.446 98 D N 1.252 121.662 120.400 0.016 0.000 2.349 98 D HA 0.103 4.743 4.640 -0.000 0.000 0.224 98 D C 0.701 176.957 176.300 -0.073 0.000 1.029 98 D CA 0.215 54.203 54.000 -0.020 0.000 0.879 98 D CB -0.088 40.724 40.800 0.019 0.000 0.906 98 D HN 0.287 nan 8.370 nan 0.000 0.528 99 I N 0.206 120.749 120.570 -0.045 0.000 2.872 99 I HA 0.004 4.174 4.170 -0.000 0.000 0.291 99 I C 1.900 177.965 176.117 -0.087 0.000 1.216 99 I CA 0.896 62.156 61.300 -0.067 0.000 1.424 99 I CB 0.527 38.509 38.000 -0.031 0.000 1.351 99 I HN 0.178 nan 8.210 nan 0.000 0.592 100 G N 4.516 113.252 108.800 -0.107 0.000 2.320 100 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.242 100 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.242 100 G C 0.545 175.361 174.900 -0.141 0.000 1.033 100 G CA -0.173 44.867 45.100 -0.101 0.000 0.620 100 G HN 0.614 nan 8.290 nan 0.000 0.517 101 R N 1.677 122.067 120.500 -0.184 0.000 2.652 101 R HA 0.456 4.796 4.340 -0.000 0.000 0.271 101 R C -2.380 173.702 176.300 -0.363 0.000 1.129 101 R CA -0.981 54.976 56.100 -0.238 0.000 1.200 101 R CB 0.209 30.380 30.300 -0.214 0.000 1.146 101 R HN 0.221 nan 8.270 nan 0.000 0.581 102 P HA 0.121 nan 4.420 nan 0.000 0.292 102 P C -0.604 176.378 177.300 -0.530 0.000 1.326 102 P CA -0.243 62.440 63.100 -0.694 0.000 0.787 102 P CB 1.223 32.142 31.700 -1.301 0.000 0.903 103 K N 3.180 123.274 120.400 -0.510 0.000 2.030 103 K HA -0.277 4.043 4.320 -0.000 0.000 0.222 103 K C 2.072 178.550 176.600 -0.204 0.000 1.056 103 K CA 2.446 58.427 56.287 -0.510 0.000 0.957 103 K CB -1.047 31.287 32.500 -0.278 0.000 0.727 103 K HN 0.475 nan 8.250 nan 0.000 0.452 104 A N 1.427 124.168 122.820 -0.132 0.000 1.940 104 A HA -0.327 3.993 4.320 -0.000 0.000 0.221 104 A C 2.149 179.698 177.584 -0.058 0.000 1.190 104 A CA 2.214 54.228 52.037 -0.039 0.000 0.647 104 A CB -0.633 18.377 19.000 0.016 0.000 0.821 104 A HN 0.538 nan 8.150 nan 0.000 0.457 105 E N -0.475 119.640 120.200 -0.142 0.000 2.006 105 E HA -0.117 4.233 4.350 -0.000 0.000 0.192 105 E C 1.979 178.549 176.600 -0.049 0.000 0.993 105 E CA 1.452 57.787 56.400 -0.109 0.000 0.808 105 E CB -0.186 29.411 29.700 -0.172 0.000 0.764 105 E HN 0.302 nan 8.360 nan 0.000 0.449 106 V N 1.742 121.610 119.914 -0.078 0.000 2.317 106 V HA -0.341 3.779 4.120 -0.000 0.000 0.251 106 V C 2.515 178.724 176.094 0.192 0.000 1.065 106 V CA 2.058 64.377 62.300 0.031 0.000 1.049 106 V CB -1.049 30.741 31.823 -0.056 0.000 0.651 106 V HN 0.457 nan 8.190 nan 0.000 0.450 107 A N -0.115 122.839 122.820 0.224 0.000 1.902 107 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 107 A C 2.398 180.047 177.584 0.108 0.000 1.181 107 A CA 2.087 54.238 52.037 0.191 0.000 0.623 107 A CB -0.727 18.370 19.000 0.161 0.000 0.818 107 A HN 0.609 nan 8.150 nan 0.000 0.443 108 A N -0.598 122.267 122.820 0.074 0.000 1.968 108 A HA -0.080 4.240 4.320 -0.000 0.000 0.217 108 A C 1.985 179.619 177.584 0.084 0.000 1.169 108 A CA 1.532 53.603 52.037 0.056 0.000 0.638 108 A CB -0.426 18.579 19.000 0.008 0.000 0.812 108 A HN 0.678 nan 8.150 nan 0.000 0.446 109 E N -0.710 119.544 120.200 0.091 0.000 2.007 109 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 109 E C 1.816 178.503 176.600 0.145 0.000 0.999 109 E CA 1.395 57.847 56.400 0.087 0.000 0.811 109 E CB -0.331 29.410 29.700 0.068 0.000 0.762 109 E HN 0.592 nan 8.360 nan 0.000 0.450 110 F N 0.866 120.832 119.950 0.027 0.000 2.011 110 F HA -0.315 4.212 4.527 -0.000 0.000 0.296 110 F C 2.346 178.166 175.800 0.034 0.000 1.144 110 F CA 1.151 59.169 58.000 0.029 0.000 1.185 110 F CB -0.250 38.760 39.000 0.016 0.000 0.961 110 F HN 0.136 nan 8.300 nan 0.000 0.485 111 L N 1.260 122.744 121.223 0.435 0.000 1.991 111 L HA -0.354 3.986 4.340 -0.000 0.000 0.221 111 L C 2.143 179.140 176.870 0.211 0.000 1.079 111 L CA 1.961 56.967 54.840 0.276 0.000 0.778 111 L CB -1.754 40.386 42.059 0.135 0.000 0.893 111 L HN 0.304 nan 8.230 nan 0.000 0.437 112 N N -0.232 118.559 118.700 0.151 0.000 2.258 112 N HA -0.201 4.539 4.740 -0.000 0.000 0.187 112 N C 1.572 177.144 175.510 0.105 0.000 1.012 112 N CA 1.367 54.485 53.050 0.113 0.000 0.870 112 N CB -0.206 38.326 38.487 0.074 0.000 0.977 112 N HN 0.534 nan 8.380 nan 0.000 0.434 113 D N 0.473 120.932 120.400 0.100 0.000 2.202 113 D HA -0.067 4.573 4.640 -0.000 0.000 0.214 113 D C 1.898 178.240 176.300 0.070 0.000 0.967 113 D CA 0.446 54.475 54.000 0.048 0.000 0.871 113 D CB 0.319 41.100 40.800 -0.032 0.000 1.020 113 D HN -0.018 nan 8.370 nan 0.000 0.474 114 R N 0.256 120.832 120.500 0.127 0.000 2.096 114 R HA -0.010 4.330 4.340 -0.000 0.000 0.235 114 R C 0.388 176.793 176.300 0.176 0.000 1.127 114 R CA 0.706 56.906 56.100 0.165 0.000 0.968 114 R CB -0.123 30.386 30.300 0.348 0.000 0.861 114 R HN 0.008 nan 8.270 nan 0.000 0.440 115 V N 2.263 122.294 119.914 0.196 0.000 2.277 115 V HA 0.214 4.334 4.120 -0.000 0.000 0.269 115 V C -1.709 174.506 176.094 0.202 0.000 1.036 115 V CA -1.695 60.730 62.300 0.208 0.000 0.821 115 V CB 1.300 33.257 31.823 0.223 0.000 1.052 115 V HN 0.199 nan 8.190 nan 0.000 0.462 116 P HA -0.286 nan 4.420 nan 0.000 0.228 116 P C 0.566 177.972 177.300 0.176 0.000 0.798 116 P CA 1.951 65.182 63.100 0.219 0.000 1.070 116 P CB 0.026 31.939 31.700 0.355 0.000 0.714 117 N N -2.481 116.332 118.700 0.188 0.000 2.610 117 N HA 0.134 4.874 4.740 -0.000 0.000 0.309 117 N C -0.438 175.159 175.510 0.145 0.000 1.536 117 N CA -0.203 52.938 53.050 0.151 0.000 0.954 117 N CB -0.174 38.400 38.487 0.145 0.000 1.310 117 N HN 0.156 nan 8.380 nan 0.000 0.502 118 C N 0.868 120.257 119.300 0.149 0.000 2.604 118 C HA 0.229 4.689 4.460 -0.000 0.000 0.396 118 C C 1.275 176.322 174.990 0.096 0.000 1.282 118 C CA 0.000 59.101 59.018 0.139 0.000 2.292 118 C CB -0.026 27.804 27.740 0.151 0.000 2.633 118 C HN 0.480 nan 8.230 nan 0.000 0.620 119 N N 2.149 120.897 118.700 0.080 0.000 2.599 119 N HA 0.220 4.960 4.740 -0.000 0.000 0.309 119 N C -0.913 174.607 175.510 0.017 0.000 1.743 119 N CA -0.199 52.876 53.050 0.042 0.000 0.918 119 N CB 0.364 38.874 38.487 0.039 0.000 1.339 119 N HN 0.415 nan 8.380 nan 0.000 0.493 120 V N 1.120 121.051 119.914 0.027 0.000 2.446 120 V HA 0.140 4.260 4.120 -0.000 0.000 0.276 120 V C 0.327 176.379 176.094 -0.071 0.000 1.030 120 V CA -0.309 61.995 62.300 0.006 0.000 1.033 120 V CB 0.869 32.714 31.823 0.036 0.000 0.993 120 V HN 0.036 nan 8.190 nan 0.000 0.477 121 V N 9.118 128.927 119.914 -0.176 0.000 2.350 121 V HA 0.367 4.487 4.120 -0.000 0.000 0.276 121 V C -1.828 174.082 176.094 -0.307 0.000 1.028 121 V CA -1.502 60.611 62.300 -0.311 0.000 0.860 121 V CB 1.834 33.288 31.823 -0.615 0.000 0.990 121 V HN 0.755 nan 8.190 nan 0.000 0.453 122 P HA 0.370 nan 4.420 nan 0.000 0.284 122 P C -1.148 175.932 177.300 -0.367 0.000 1.258 122 P CA -0.379 62.605 63.100 -0.194 0.000 0.824 122 P CB 1.133 32.781 31.700 -0.088 0.000 1.038 123 H N 2.003 121.156 119.070 0.138 0.000 3.078 123 H HA 0.202 4.758 4.556 -0.000 0.000 0.319 123 H C -1.050 174.431 175.328 0.255 0.000 0.995 123 H CA -0.415 55.752 56.048 0.200 0.000 1.417 123 H CB 0.722 30.595 29.762 0.184 0.000 1.598 123 H HN 0.317 nan 8.280 nan 0.000 0.515 124 F N 6.410 126.442 119.950 0.136 0.000 2.406 124 F HA 0.267 4.794 4.527 -0.000 0.000 0.358 124 F C -0.224 175.621 175.800 0.074 0.000 1.161 124 F CA -0.781 57.261 58.000 0.070 0.000 1.185 124 F CB -0.585 38.424 39.000 0.015 0.000 1.421 124 F HN 0.648 nan 8.300 nan 0.000 0.576 125 N N 3.056 121.876 118.700 0.199 0.000 3.501 125 N HA 0.156 4.896 4.740 -0.000 0.000 0.235 125 N C -1.775 173.773 175.510 0.064 0.000 1.442 125 N CA -1.285 51.756 53.050 -0.016 0.000 0.872 125 N CB 1.164 39.613 38.487 -0.064 0.000 1.414 125 N HN 0.114 nan 8.380 nan 0.000 0.485 126 K N 0.939 121.318 120.400 -0.036 0.000 2.382 126 K HA 0.177 4.497 4.320 -0.000 0.000 0.275 126 K C 1.309 177.914 176.600 0.007 0.000 1.009 126 K CA -0.228 56.026 56.287 -0.056 0.000 0.970 126 K CB 1.038 33.453 32.500 -0.143 0.000 0.934 126 K HN 0.554 nan 8.250 nan 0.000 0.479 127 I N -0.725 119.813 120.570 -0.053 0.000 3.083 127 I HA -0.210 3.960 4.170 -0.000 0.000 0.273 127 I C 0.970 176.964 176.117 -0.204 0.000 1.297 127 I CA 0.993 62.298 61.300 0.009 0.000 1.452 127 I CB -0.130 37.855 38.000 -0.025 0.000 1.078 127 I HN 0.494 nan 8.210 nan 0.000 0.484 128 Q N 1.052 120.565 119.800 -0.479 0.000 2.425 128 Q HA -0.025 4.315 4.340 -0.000 0.000 0.204 128 Q C 1.128 177.020 176.000 -0.180 0.000 0.933 128 Q CA 0.603 56.007 55.803 -0.665 0.000 0.939 128 Q CB 0.036 28.365 28.738 -0.682 0.000 1.044 128 Q HN 0.535 nan 8.270 nan 0.000 0.513 129 D N -0.566 119.752 120.400 -0.136 0.000 2.347 129 D HA -0.025 4.615 4.640 -0.000 0.000 0.215 129 D C -0.300 175.766 176.300 -0.389 0.000 0.976 129 D CA 0.554 54.372 54.000 -0.303 0.000 0.884 129 D CB 0.202 40.700 40.800 -0.503 0.000 0.915 129 D HN 0.133 nan 8.370 nan 0.000 0.526 130 F N 1.165 121.090 119.950 -0.041 0.000 2.440 130 F HA 0.335 4.862 4.527 -0.000 0.000 0.328 130 F C 0.764 176.792 175.800 0.381 0.000 1.070 130 F CA -1.229 56.776 58.000 0.008 0.000 1.011 130 F CB 0.864 39.679 39.000 -0.308 0.000 1.226 130 F HN -0.240 nan 8.300 nan 0.000 0.491 131 N N -1.090 117.927 118.700 0.529 0.000 2.321 131 N HA 0.207 4.947 4.740 -0.000 0.000 0.290 131 N C 0.138 175.955 175.510 0.511 0.000 1.212 131 N CA -0.769 52.583 53.050 0.502 0.000 0.767 131 N CB 0.738 39.393 38.487 0.280 0.000 1.494 131 N HN 0.584 nan 8.380 nan 0.000 0.479 132 D N -0.238 120.408 120.400 0.411 0.000 3.111 132 D HA -0.383 4.257 4.640 -0.000 0.000 0.190 132 D C 0.964 177.428 176.300 0.273 0.000 1.141 132 D CA 2.662 56.854 54.000 0.320 0.000 0.888 132 D CB -1.261 39.631 40.800 0.154 0.000 0.905 132 D HN 0.609 nan 8.370 nan 0.000 0.497 133 T N -0.073 114.612 114.554 0.219 0.000 2.649 133 T HA -0.222 4.128 4.350 -0.000 0.000 0.268 133 T C 1.468 176.268 174.700 0.168 0.000 1.036 133 T CA 1.892 64.088 62.100 0.160 0.000 1.157 133 T CB -0.642 68.313 68.868 0.144 0.000 0.861 133 T HN 0.327 nan 8.240 nan 0.000 0.445 134 F N 0.476 120.467 119.950 0.068 0.000 2.113 134 F HA -0.024 4.503 4.527 -0.000 0.000 0.297 134 F C 1.847 177.610 175.800 -0.063 0.000 1.103 134 F CA 0.961 58.936 58.000 -0.042 0.000 1.248 134 F CB -0.513 38.458 39.000 -0.049 0.000 0.999 134 F HN 0.241 nan 8.300 nan 0.000 0.475 135 Y N -0.229 120.117 120.300 0.076 0.000 2.395 135 Y HA 0.006 4.556 4.550 -0.000 0.000 0.293 135 Y C 2.569 178.479 175.900 0.016 0.000 1.123 135 Y CA 1.017 59.130 58.100 0.022 0.000 1.227 135 Y CB -0.645 37.880 38.460 0.107 0.000 1.012 135 Y HN -0.034 nan 8.280 nan 0.000 0.552 136 R N 1.334 121.908 120.500 0.123 0.000 2.200 136 R HA -0.223 4.117 4.340 -0.000 0.000 0.234 136 R C 1.870 178.143 176.300 -0.045 0.000 1.127 136 R CA 1.666 57.795 56.100 0.048 0.000 0.989 136 R CB -0.114 30.207 30.300 0.036 0.000 0.869 136 R HN 0.610 nan 8.270 nan 0.000 0.459 137 Q N -1.194 118.474 119.800 -0.220 0.000 2.451 137 Q HA 0.004 4.344 4.340 -0.000 0.000 0.206 137 Q C -0.343 175.337 176.000 -0.534 0.000 0.947 137 Q CA 0.357 55.911 55.803 -0.416 0.000 0.937 137 Q CB 0.136 28.489 28.738 -0.641 0.000 1.025 137 Q HN 0.102 nan 8.270 nan 0.000 0.511 138 F N 0.018 119.844 119.950 -0.207 0.000 2.403 138 F HA 0.337 4.864 4.527 -0.000 0.000 0.326 138 F C 1.252 177.081 175.800 0.048 0.000 1.081 138 F CA -0.723 57.160 58.000 -0.196 0.000 1.041 138 F CB 1.003 39.847 39.000 -0.260 0.000 1.234 138 F HN -0.047 nan 8.300 nan 0.000 0.503 139 H N 0.434 119.561 119.070 0.096 0.000 2.516 139 H HA 0.349 4.905 4.556 -0.000 0.000 0.284 139 H C -0.594 174.749 175.328 0.025 0.000 0.999 139 H CA 0.211 56.281 56.048 0.037 0.000 1.303 139 H CB 0.678 30.456 29.762 0.027 0.000 1.452 139 H HN 0.203 nan 8.280 nan 0.000 0.530 140 I N 0.833 121.486 120.570 0.138 0.000 2.752 140 I HA 0.235 4.405 4.170 -0.000 0.000 0.295 140 I C -1.113 174.969 176.117 -0.059 0.000 1.219 140 I CA -0.354 60.959 61.300 0.021 0.000 1.030 140 I CB 2.961 40.951 38.000 -0.017 0.000 1.259 140 I HN -0.025 nan 8.210 nan 0.000 0.423 141 I N 5.190 125.709 120.570 -0.085 0.000 2.509 141 I HA 0.617 4.787 4.170 -0.000 0.000 0.293 141 I C -1.021 175.023 176.117 -0.122 0.000 1.020 141 I CA -1.000 60.212 61.300 -0.147 0.000 1.088 141 I CB 2.053 39.978 38.000 -0.125 0.000 1.267 141 I HN 0.124 nan 8.210 nan 0.000 0.430 142 V N 4.650 124.481 119.914 -0.138 0.000 2.555 142 V HA 0.403 4.523 4.120 -0.000 0.000 0.302 142 V C -0.147 175.898 176.094 -0.082 0.000 1.038 142 V CA -0.624 61.611 62.300 -0.108 0.000 0.887 142 V CB 1.767 33.516 31.823 -0.124 0.000 0.991 142 V HN 0.811 nan 8.190 nan 0.000 0.434 143 C N 2.581 121.846 119.300 -0.059 0.000 2.325 143 C HA 0.899 5.359 4.460 -0.000 0.000 0.370 143 C C 1.080 176.051 174.990 -0.032 0.000 1.217 143 C CA 0.448 59.445 59.018 -0.035 0.000 2.254 143 C CB 1.275 29.006 27.740 -0.015 0.000 2.282 143 C HN 1.205 nan 8.230 nan 0.000 0.564 144 G N 1.462 110.253 108.800 -0.015 0.000 4.890 144 G HA2 0.243 4.202 3.960 -0.000 0.000 0.225 144 G HA3 0.243 4.202 3.960 -0.000 0.000 0.225 144 G C -0.586 174.314 174.900 0.001 0.000 2.100 144 G CA -0.351 44.741 45.100 -0.012 0.000 0.773 144 G HN 0.537 nan 8.290 nan 0.000 0.279 145 L N 0.072 121.301 121.223 0.010 0.000 2.490 145 L HA 0.591 4.931 4.340 -0.000 0.000 0.245 145 L C 0.883 177.762 176.870 0.014 0.000 1.185 145 L CA -0.392 54.457 54.840 0.014 0.000 0.813 145 L CB 0.743 42.816 42.059 0.023 0.000 1.233 145 L HN 0.300 nan 8.230 nan 0.000 0.489 146 D N -2.495 117.908 120.400 0.006 0.000 2.651 146 D HA 0.130 4.770 4.640 -0.000 0.000 0.280 146 D C -0.524 175.766 176.300 -0.017 0.000 1.496 146 D CA -0.256 53.744 54.000 -0.000 0.000 0.792 146 D CB 0.206 41.004 40.800 -0.004 0.000 1.144 146 D HN 0.383 nan 8.370 nan 0.000 0.470 147 S N -1.044 114.643 115.700 -0.022 0.000 2.546 147 S HA 0.519 4.989 4.470 -0.000 0.000 0.274 147 S C 0.649 175.211 174.600 -0.064 0.000 1.121 147 S CA -0.918 57.252 58.200 -0.050 0.000 0.887 147 S CB 1.225 64.400 63.200 -0.042 0.000 1.094 147 S HN -0.006 nan 8.310 nan 0.000 0.474 148 I N 1.022 121.511 120.570 -0.136 0.000 2.353 148 I HA -0.103 4.067 4.170 -0.000 0.000 0.248 148 I C 1.618 177.700 176.117 -0.059 0.000 1.119 148 I CA 0.909 62.098 61.300 -0.184 0.000 1.417 148 I CB -0.501 37.252 38.000 -0.412 0.000 1.078 148 I HN 0.613 nan 8.210 nan 0.000 0.421 149 I N 1.665 122.211 120.570 -0.039 0.000 2.194 149 I HA -0.290 3.880 4.170 -0.000 0.000 0.246 149 I C 2.728 178.897 176.117 0.086 0.000 1.093 149 I CA 1.811 63.125 61.300 0.023 0.000 1.355 149 I CB -1.236 36.772 38.000 0.012 0.000 1.046 149 I HN 0.126 nan 8.210 nan 0.000 0.413 150 A N 0.522 123.376 122.820 0.056 0.000 1.898 150 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 150 A C 2.491 180.156 177.584 0.135 0.000 1.181 150 A CA 1.309 53.400 52.037 0.089 0.000 0.620 150 A CB -0.536 18.480 19.000 0.025 0.000 0.819 150 A HN 0.341 nan 8.150 nan 0.000 0.442 151 R N -0.501 120.053 120.500 0.090 0.000 2.091 151 R HA -0.126 4.214 4.340 -0.000 0.000 0.238 151 R C 2.463 178.828 176.300 0.108 0.000 1.136 151 R CA 1.557 57.717 56.100 0.099 0.000 0.959 151 R CB -0.338 30.032 30.300 0.116 0.000 0.856 151 R HN 0.515 nan 8.270 nan 0.000 0.437 152 R N -0.455 120.110 120.500 0.109 0.000 2.070 152 R HA -0.194 4.146 4.340 -0.000 0.000 0.233 152 R C 2.063 178.422 176.300 0.098 0.000 1.137 152 R CA 1.760 57.915 56.100 0.092 0.000 0.945 152 R CB -0.568 29.779 30.300 0.079 0.000 0.845 152 R HN 0.321 nan 8.270 nan 0.000 0.430 153 W N 1.526 122.811 121.300 -0.024 0.000 2.315 153 W HA -0.246 4.414 4.660 -0.000 0.000 0.323 153 W C 2.000 178.477 176.519 -0.070 0.000 1.233 153 W CA 1.453 58.777 57.345 -0.036 0.000 1.267 153 W CB -0.417 29.028 29.460 -0.025 0.000 1.160 153 W HN 0.029 nan 8.180 nan 0.000 0.474 154 I N 1.646 122.432 120.570 0.360 0.000 2.700 154 I HA -0.252 3.918 4.170 -0.000 0.000 0.261 154 I C 1.883 177.939 176.117 -0.102 0.000 1.219 154 I CA 1.941 63.315 61.300 0.124 0.000 1.463 154 I CB -0.909 37.168 38.000 0.128 0.000 1.092 154 I HN 0.142 nan 8.210 nan 0.000 0.452 155 N N 0.228 118.886 118.700 -0.069 0.000 2.207 155 N HA -0.051 4.689 4.740 -0.000 0.000 0.182 155 N C 1.992 177.417 175.510 -0.141 0.000 1.020 155 N CA 1.513 54.517 53.050 -0.077 0.000 0.858 155 N CB -0.534 37.942 38.487 -0.019 0.000 0.991 155 N HN 0.335 nan 8.380 nan 0.000 0.427 156 G N 0.311 108.979 108.800 -0.219 0.000 2.404 156 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.215 156 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.215 156 G C 1.481 176.190 174.900 -0.319 0.000 1.174 156 G CA 0.966 45.911 45.100 -0.258 0.000 0.780 156 G HN 0.321 nan 8.290 nan 0.000 0.537 157 M N 0.461 119.757 119.600 -0.506 0.000 2.089 157 M HA -0.027 4.453 4.480 -0.000 0.000 0.257 157 M C 2.183 178.317 176.300 -0.276 0.000 1.071 157 M CA 1.248 56.249 55.300 -0.499 0.000 1.096 157 M CB -0.458 31.701 32.600 -0.735 0.000 1.330 157 M HN 0.084 nan 8.290 nan 0.000 0.403 158 L N -0.625 120.457 121.223 -0.235 0.000 2.141 158 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 158 L C 2.438 179.248 176.870 -0.099 0.000 1.094 158 L CA 1.650 56.408 54.840 -0.136 0.000 0.763 158 L CB -1.174 40.820 42.059 -0.109 0.000 0.908 158 L HN 0.437 nan 8.230 nan 0.000 0.437 159 I N -0.307 120.199 120.570 -0.106 0.000 2.333 159 I HA -0.239 3.931 4.170 -0.000 0.000 0.246 159 I C 2.589 178.673 176.117 -0.056 0.000 1.106 159 I CA 1.162 62.423 61.300 -0.065 0.000 1.411 159 I CB -0.072 37.899 38.000 -0.048 0.000 1.082 159 I HN 0.284 nan 8.210 nan 0.000 0.420 160 S N 1.133 116.784 115.700 -0.083 0.000 2.442 160 S HA -0.112 4.358 4.470 -0.000 0.000 0.236 160 S C 1.841 176.417 174.600 -0.039 0.000 1.007 160 S CA 0.877 59.041 58.200 -0.059 0.000 0.965 160 S CB -0.726 62.419 63.200 -0.093 0.000 0.773 160 S HN 0.442 nan 8.310 nan 0.000 0.504 161 L N 0.415 121.609 121.223 -0.048 0.000 2.478 161 L HA 0.255 4.595 4.340 -0.000 0.000 0.223 161 L C 0.631 177.462 176.870 -0.066 0.000 1.140 161 L CA 0.060 54.879 54.840 -0.035 0.000 0.842 161 L CB -0.509 41.538 42.059 -0.020 0.000 0.953 161 L HN 0.272 nan 8.230 nan 0.000 0.452 162 L N 1.217 122.382 121.223 -0.097 0.000 2.513 162 L HA -0.042 4.298 4.340 -0.000 0.000 0.272 162 L C 0.228 176.957 176.870 -0.235 0.000 1.187 162 L CA 0.193 54.909 54.840 -0.208 0.000 0.895 162 L CB 0.031 41.939 42.059 -0.252 0.000 1.147 162 L HN 0.123 nan 8.230 nan 0.000 0.483 163 N N 2.688 121.218 118.700 -0.284 0.000 2.469 163 N HA 0.244 4.984 4.740 -0.000 0.000 0.253 163 N C -1.416 173.933 175.510 -0.270 0.000 0.970 163 N CA -0.393 52.547 53.050 -0.184 0.000 0.940 163 N CB 0.558 38.983 38.487 -0.103 0.000 1.128 163 N HN 0.241 nan 8.380 nan 0.000 0.503 164 Y N 1.707 122.004 120.300 -0.004 0.000 2.454 164 Y HA 0.203 4.753 4.550 -0.000 0.000 0.345 164 Y C 0.340 176.239 175.900 -0.001 0.000 0.970 164 Y CA -0.669 57.429 58.100 -0.002 0.000 1.204 164 Y CB 0.990 39.449 38.460 -0.002 0.000 1.122 164 Y HN 0.371 nan 8.280 nan 0.000 0.514 165 E N 4.828 125.096 120.200 0.114 0.000 2.053 165 E HA -0.036 4.314 4.350 -0.000 0.000 0.297 165 E C -0.663 175.986 176.600 0.082 0.000 1.173 165 E CA 0.255 56.698 56.400 0.071 0.000 1.219 165 E CB -0.654 29.069 29.700 0.037 0.000 1.103 165 E HN 0.669 nan 8.360 nan 0.000 0.476 166 D N 1.635 122.087 120.400 0.086 0.000 3.508 166 D HA -0.210 4.430 4.640 -0.000 0.000 0.232 166 D C 1.088 177.421 176.300 0.055 0.000 1.131 166 D CA 1.163 55.198 54.000 0.058 0.000 1.040 166 D CB -1.044 39.778 40.800 0.036 0.000 0.879 166 D HN 0.684 nan 8.370 nan 0.000 0.407 167 G N -0.816 108.012 108.800 0.048 0.000 2.990 167 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.225 167 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.225 167 G C 0.479 175.429 174.900 0.083 0.000 1.304 167 G CA 0.325 45.434 45.100 0.015 0.000 0.816 167 G HN 0.817 nan 8.290 nan 0.000 0.528 168 V N 2.582 122.565 119.914 0.116 0.000 2.649 168 V HA 0.625 4.745 4.120 -0.000 0.000 0.292 168 V C 0.765 176.995 176.094 0.227 0.000 1.055 168 V CA -0.192 62.192 62.300 0.140 0.000 1.023 168 V CB 1.585 33.454 31.823 0.076 0.000 0.992 168 V HN 0.680 nan 8.190 nan 0.000 0.480 169 L N 3.313 124.665 121.223 0.214 0.000 2.350 169 L HA 0.467 4.807 4.340 -0.000 0.000 0.275 169 L C -0.078 176.763 176.870 -0.050 0.000 1.099 169 L CA 0.089 54.947 54.840 0.029 0.000 0.808 169 L CB 1.117 43.160 42.059 -0.027 0.000 1.149 169 L HN 0.798 nan 8.230 nan 0.000 0.442 170 D N 6.299 126.623 120.400 -0.128 0.000 2.380 170 D HA 0.287 4.927 4.640 -0.000 0.000 0.230 170 D C -1.713 174.526 176.300 -0.102 0.000 1.154 170 D CA -2.154 51.795 54.000 -0.085 0.000 0.859 170 D CB 1.311 42.063 40.800 -0.079 0.000 1.045 170 D HN 0.403 nan 8.370 nan 0.000 0.495 171 P HA -0.197 nan 4.420 nan 0.000 0.216 171 P C 0.934 178.195 177.300 -0.065 0.000 1.150 171 P CA 0.920 63.985 63.100 -0.059 0.000 0.837 171 P CB -0.029 31.651 31.700 -0.033 0.000 0.786 172 S N -0.572 115.091 115.700 -0.062 0.000 2.653 172 S HA 0.004 4.474 4.470 -0.000 0.000 0.233 172 S C 1.497 176.055 174.600 -0.070 0.000 0.970 172 S CA 0.659 58.820 58.200 -0.065 0.000 0.947 172 S CB -1.255 61.911 63.200 -0.056 0.000 0.771 172 S HN 0.327 nan 8.310 nan 0.000 0.538 173 S N 0.042 115.693 115.700 -0.082 0.000 2.730 173 S HA 0.426 4.896 4.470 -0.000 0.000 0.244 173 S C 0.043 174.592 174.600 -0.084 0.000 1.022 173 S CA -0.753 57.398 58.200 -0.083 0.000 1.014 173 S CB -0.425 62.712 63.200 -0.104 0.000 0.963 173 S HN 0.495 nan 8.310 nan 0.000 0.540 174 I N 2.411 122.934 120.570 -0.078 0.000 2.312 174 I HA 0.355 4.525 4.170 -0.000 0.000 0.291 174 I C -0.746 175.345 176.117 -0.042 0.000 1.031 174 I CA -0.797 60.463 61.300 -0.066 0.000 1.293 174 I CB 1.655 39.618 38.000 -0.062 0.000 1.403 174 I HN -0.008 nan 8.210 nan 0.000 0.484 175 V N 9.002 128.898 119.914 -0.030 0.000 2.311 175 V HA 0.257 4.377 4.120 -0.000 0.000 0.275 175 V C -2.129 173.957 176.094 -0.014 0.000 1.022 175 V CA -1.812 60.485 62.300 -0.006 0.000 0.830 175 V CB 1.080 32.914 31.823 0.018 0.000 1.012 175 V HN 0.568 nan 8.190 nan 0.000 0.452 176 P HA 0.123 nan 4.420 nan 0.000 0.264 176 P C -0.781 176.502 177.300 -0.029 0.000 1.193 176 P CA -0.039 63.048 63.100 -0.021 0.000 0.763 176 P CB 0.512 32.201 31.700 -0.018 0.000 0.810 177 L N 5.483 126.684 121.223 -0.036 0.000 2.342 177 L HA 0.449 4.789 4.340 -0.000 0.000 0.276 177 L C -1.148 175.693 176.870 -0.047 0.000 0.997 177 L CA -0.311 54.502 54.840 -0.044 0.000 0.838 177 L CB 0.588 42.622 42.059 -0.041 0.000 1.224 177 L HN 0.144 nan 8.230 nan 0.000 0.416 178 I N 3.486 124.021 120.570 -0.059 0.000 2.359 178 I HA 0.410 4.580 4.170 -0.000 0.000 0.294 178 I C -0.417 175.661 176.117 -0.065 0.000 0.987 178 I CA -0.295 60.965 61.300 -0.067 0.000 1.225 178 I CB 1.384 39.338 38.000 -0.076 0.000 1.366 178 I HN 0.635 nan 8.210 nan 0.000 0.466 179 D N 3.777 124.136 120.400 -0.069 0.000 2.498 179 D HA 0.692 5.332 4.640 -0.000 0.000 0.247 179 D C -0.272 175.980 176.300 -0.080 0.000 1.070 179 D CA -0.257 53.710 54.000 -0.055 0.000 0.842 179 D CB 2.119 42.905 40.800 -0.022 0.000 1.361 179 D HN 0.720 nan 8.370 nan 0.000 0.484 180 G N 0.628 109.394 108.800 -0.057 0.000 2.537 180 G HA2 0.722 4.682 3.960 -0.000 0.000 0.308 180 G HA3 0.722 4.682 3.960 -0.000 0.000 0.308 180 G C -0.681 174.204 174.900 -0.024 0.000 1.237 180 G CA -0.797 44.265 45.100 -0.065 0.000 0.968 180 G HN 0.622 nan 8.290 nan 0.000 0.481 181 G N -1.028 107.760 108.800 -0.020 0.000 2.766 181 G HA2 0.575 4.535 3.960 -0.000 0.000 0.297 181 G HA3 0.575 4.535 3.960 -0.000 0.000 0.297 181 G C -1.278 173.640 174.900 0.030 0.000 1.431 181 G CA -0.233 44.885 45.100 0.029 0.000 1.042 181 G HN 0.682 nan 8.290 nan 0.000 0.542 182 T N -0.078 114.499 114.554 0.039 0.000 2.896 182 T HA 0.745 5.095 4.350 -0.000 0.000 0.297 182 T C -1.311 173.409 174.700 0.035 0.000 1.108 182 T CA -0.443 61.679 62.100 0.037 0.000 1.004 182 T CB 2.087 70.964 68.868 0.014 0.000 1.159 182 T HN 0.613 nan 8.240 nan 0.000 0.499 183 E N 1.170 121.385 120.200 0.024 0.000 2.635 183 E HA 0.428 4.778 4.350 -0.000 0.000 0.388 183 E C 0.096 176.676 176.600 -0.034 0.000 1.027 183 E CA 0.375 56.777 56.400 0.003 0.000 0.713 183 E CB -0.223 29.502 29.700 0.041 0.000 1.536 183 E HN 1.115 nan 8.360 nan 0.000 0.388 184 G N 2.159 110.883 108.800 -0.127 0.000 2.528 184 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.262 184 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.262 184 G C 0.116 174.819 174.900 -0.329 0.000 1.200 184 G CA 0.121 45.043 45.100 -0.296 0.000 0.951 184 G HN 0.429 nan 8.290 nan 0.000 0.566 185 F N 2.492 122.473 119.950 0.051 0.000 2.695 185 F HA 0.364 4.891 4.527 -0.000 0.000 0.301 185 F C 1.389 177.217 175.800 0.046 0.000 1.182 185 F CA 0.659 58.693 58.000 0.057 0.000 1.412 185 F CB 0.132 39.142 39.000 0.017 0.000 1.056 185 F HN 0.059 nan 8.300 nan 0.000 0.522 186 K N 0.022 120.518 120.400 0.159 0.000 2.316 186 K HA 0.766 5.086 4.320 -0.000 0.000 0.251 186 K C -0.022 176.689 176.600 0.186 0.000 0.934 186 K CA -0.767 55.612 56.287 0.153 0.000 0.802 186 K CB 2.347 34.914 32.500 0.112 0.000 1.171 186 K HN 0.145 nan 8.250 nan 0.000 0.426 187 G N 1.105 110.051 108.800 0.245 0.000 2.649 187 G HA2 0.458 4.418 3.960 -0.000 0.000 0.290 187 G HA3 0.458 4.418 3.960 -0.000 0.000 0.290 187 G C -1.836 173.144 174.900 0.134 0.000 1.426 187 G CA -0.666 44.540 45.100 0.178 0.000 0.794 187 G HN 0.731 nan 8.290 nan 0.000 0.483 188 N N -1.333 117.372 118.700 0.008 0.000 2.961 188 N HA 0.672 5.412 4.740 -0.000 0.000 0.245 188 N C -1.272 174.093 175.510 -0.242 0.000 1.404 188 N CA -0.367 52.598 53.050 -0.141 0.000 0.880 188 N CB 1.910 40.268 38.487 -0.215 0.000 1.461 188 N HN 1.400 nan 8.380 nan 0.000 0.510 189 A N 0.223 122.807 122.820 -0.394 0.000 2.520 189 A HA 0.613 4.933 4.320 -0.000 0.000 0.298 189 A C -1.310 175.997 177.584 -0.461 0.000 1.051 189 A CA -0.564 51.274 52.037 -0.331 0.000 0.690 189 A CB 2.188 21.053 19.000 -0.225 0.000 1.281 189 A HN 0.735 nan 8.150 nan 0.000 0.402 190 Q N 0.434 120.046 119.800 -0.314 0.000 2.484 190 Q HA 0.764 5.104 4.340 -0.000 0.000 0.285 190 Q C -1.920 174.003 176.000 -0.128 0.000 1.097 190 Q CA -0.732 54.933 55.803 -0.230 0.000 0.802 190 Q CB 2.584 31.252 28.738 -0.116 0.000 1.444 190 Q HN 0.632 nan 8.270 nan 0.000 0.429 191 V N 3.194 123.054 119.914 -0.090 0.000 2.483 191 V HA 0.496 4.616 4.120 -0.000 0.000 0.297 191 V C -0.691 175.380 176.094 -0.038 0.000 1.027 191 V CA -0.522 61.740 62.300 -0.064 0.000 0.855 191 V CB 1.661 33.448 31.823 -0.060 0.000 0.995 191 V HN 0.654 nan 8.190 nan 0.000 0.424 192 I N 5.517 126.069 120.570 -0.030 0.000 2.441 192 I HA 0.492 4.662 4.170 -0.000 0.000 0.295 192 I C -0.559 175.547 176.117 -0.018 0.000 0.994 192 I CA -0.530 60.760 61.300 -0.017 0.000 1.144 192 I CB 1.944 39.937 38.000 -0.013 0.000 1.314 192 I HN 0.376 nan 8.210 nan 0.000 0.445 193 L N 7.466 128.682 121.223 -0.010 0.000 2.495 193 L HA 0.370 4.710 4.340 -0.000 0.000 0.248 193 L C -2.418 174.447 176.870 -0.009 0.000 1.229 193 L CA -1.680 53.153 54.840 -0.012 0.000 0.942 193 L CB 0.795 42.850 42.059 -0.006 0.000 1.242 193 L HN 0.256 nan 8.230 nan 0.000 0.484 194 P HA -0.160 nan 4.420 nan 0.000 0.251 194 P C 0.959 178.256 177.300 -0.005 0.000 1.116 194 P CA 1.365 64.456 63.100 -0.015 0.000 0.776 194 P CB 0.243 31.922 31.700 -0.035 0.000 0.701 195 G N 3.189 112.007 108.800 0.030 0.000 2.225 195 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.264 195 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.264 195 G C 0.470 175.403 174.900 0.056 0.000 1.060 195 G CA 0.224 45.367 45.100 0.072 0.000 0.833 195 G HN 0.499 nan 8.290 nan 0.000 0.498 196 M N -2.097 117.526 119.600 0.038 0.000 1.643 196 M HA 0.102 4.582 4.480 -0.000 0.000 0.222 196 M C 0.554 176.871 176.300 0.029 0.000 1.060 196 M CA 0.790 56.110 55.300 0.033 0.000 0.920 196 M CB 0.541 33.153 32.600 0.020 0.000 1.774 196 M HN 0.124 nan 8.290 nan 0.000 0.650 197 T N 1.143 115.710 114.554 0.023 0.000 2.926 197 T HA 0.727 5.077 4.350 -0.000 0.000 0.289 197 T C -0.543 174.170 174.700 0.022 0.000 1.054 197 T CA -0.406 61.706 62.100 0.020 0.000 1.015 197 T CB 2.420 71.294 68.868 0.010 0.000 1.167 197 T HN 0.276 nan 8.240 nan 0.000 0.526 198 A N 0.907 123.741 122.820 0.024 0.000 2.540 198 A HA 0.388 4.708 4.320 -0.000 0.000 0.239 198 A C 1.035 178.635 177.584 0.027 0.000 1.061 198 A CA -0.440 51.614 52.037 0.029 0.000 0.758 198 A CB -0.951 18.068 19.000 0.032 0.000 0.991 198 A HN 1.079 nan 8.150 nan 0.000 0.502 199 C N 2.151 121.469 119.300 0.030 0.000 2.478 199 C HA 0.611 5.071 4.460 -0.000 0.000 0.379 199 C C 1.787 176.803 174.990 0.044 0.000 1.470 199 C CA -0.718 58.317 59.018 0.028 0.000 2.066 199 C CB -0.191 27.561 27.740 0.021 0.000 2.001 199 C HN 0.731 nan 8.230 nan 0.000 0.550 200 I N 1.156 121.756 120.570 0.050 0.000 2.361 200 I HA -0.094 4.076 4.170 -0.000 0.000 0.251 200 I C 2.599 178.772 176.117 0.094 0.000 1.133 200 I CA 1.503 62.854 61.300 0.084 0.000 1.413 200 I CB -1.312 36.744 38.000 0.094 0.000 1.073 200 I HN 0.735 nan 8.210 nan 0.000 0.424 201 E N 0.571 120.811 120.200 0.067 0.000 2.028 201 E HA -0.178 4.172 4.350 -0.000 0.000 0.191 201 E C 2.399 179.033 176.600 0.057 0.000 0.988 201 E CA 1.235 57.673 56.400 0.063 0.000 0.799 201 E CB -0.519 29.207 29.700 0.043 0.000 0.755 201 E HN 0.440 nan 8.360 nan 0.000 0.447 202 C N 0.699 120.027 119.300 0.046 0.000 2.398 202 C HA -0.139 4.321 4.460 -0.000 0.000 0.282 202 C C 2.282 177.293 174.990 0.035 0.000 1.275 202 C CA 1.750 60.791 59.018 0.038 0.000 1.797 202 C CB -1.257 26.505 27.740 0.036 0.000 1.991 202 C HN 0.501 nan 8.230 nan 0.000 0.505 203 T N -3.118 111.460 114.554 0.041 0.000 3.252 203 T HA 0.223 4.573 4.350 -0.000 0.000 0.286 203 T C 0.860 175.578 174.700 0.030 0.000 1.013 203 T CA -0.191 61.918 62.100 0.015 0.000 0.914 203 T CB -0.285 68.575 68.868 -0.012 0.000 1.131 203 T HN 0.213 nan 8.240 nan 0.000 0.529 204 L N 1.692 122.969 121.223 0.090 0.000 2.447 204 L HA 0.117 4.457 4.340 -0.000 0.000 0.225 204 L C 1.920 178.901 176.870 0.185 0.000 1.148 204 L CA 1.641 56.592 54.840 0.186 0.000 0.808 204 L CB -0.464 41.684 42.059 0.148 0.000 0.928 204 L HN 0.354 nan 8.230 nan 0.000 0.448 205 E N -0.968 119.282 120.200 0.082 0.000 2.442 205 E HA -0.026 4.324 4.350 -0.000 0.000 0.195 205 E C 1.913 178.535 176.600 0.036 0.000 1.030 205 E CA 0.262 56.702 56.400 0.067 0.000 0.869 205 E CB -0.028 29.692 29.700 0.033 0.000 0.857 205 E HN 0.532 nan 8.360 nan 0.000 0.505 206 L N 0.575 121.775 121.223 -0.040 0.000 2.551 206 L HA -0.029 4.311 4.340 -0.000 0.000 0.228 206 L C 0.674 177.493 176.870 -0.084 0.000 1.153 206 L CA 0.426 55.209 54.840 -0.094 0.000 0.851 206 L CB -0.409 41.538 42.059 -0.187 0.000 0.959 206 L HN 0.101 nan 8.230 nan 0.000 0.451 207 Y N 0.243 120.579 120.300 0.061 0.000 2.314 207 Y HA 0.180 4.730 4.550 -0.000 0.000 0.334 207 Y C -1.504 174.423 175.900 0.044 0.000 1.266 207 Y CA -1.975 56.161 58.100 0.061 0.000 1.391 207 Y CB 0.146 38.637 38.460 0.052 0.000 1.306 207 Y HN -0.100 nan 8.280 nan 0.000 0.558 208 P HA 0.248 nan 4.420 nan 0.000 0.279 208 P C -2.573 174.790 177.300 0.105 0.000 1.276 208 P CA -1.086 62.097 63.100 0.138 0.000 0.801 208 P CB 0.096 31.867 31.700 0.119 0.000 1.127 209 P HA 0.265 nan 4.420 nan 0.000 0.284 209 P C -1.223 176.091 177.300 0.023 0.000 1.258 209 P CA -0.641 62.485 63.100 0.044 0.000 0.824 209 P CB 0.430 32.154 31.700 0.039 0.000 1.038 210 Q N 0.495 120.296 119.800 0.003 0.000 2.322 210 Q HA 0.330 4.670 4.340 -0.000 0.000 0.256 210 Q C -0.787 175.190 176.000 -0.037 0.000 0.960 210 Q CA -0.834 54.953 55.803 -0.027 0.000 0.934 210 Q CB 0.521 29.233 28.738 -0.044 0.000 1.200 210 Q HN 0.090 nan 8.270 nan 0.000 0.435 211 V N 4.103 123.983 119.914 -0.058 0.000 2.399 211 V HA -0.086 4.034 4.120 -0.000 0.000 0.245 211 V C 0.063 176.062 176.094 -0.159 0.000 1.089 211 V CA 0.359 62.618 62.300 -0.068 0.000 1.196 211 V CB -1.332 30.447 31.823 -0.074 0.000 1.221 211 V HN 0.820 nan 8.190 nan 0.000 0.482 212 N N 5.077 123.743 118.700 -0.056 0.000 2.521 212 N HA 0.307 5.047 4.740 -0.000 0.000 0.236 212 N C -0.119 175.453 175.510 0.104 0.000 1.067 212 N CA -0.451 52.575 53.050 -0.040 0.000 0.939 212 N CB 0.320 38.809 38.487 0.002 0.000 1.201 212 N HN 0.569 nan 8.380 nan 0.000 0.511 213 F N 2.950 122.934 119.950 0.056 0.000 2.580 213 F HA -0.008 4.519 4.527 -0.000 0.000 0.398 213 F C -1.444 174.368 175.800 0.020 0.000 1.023 213 F CA -1.623 56.414 58.000 0.062 0.000 1.188 213 F CB 0.098 39.160 39.000 0.104 0.000 1.005 213 F HN 0.249 nan 8.300 nan 0.000 0.546 214 P HA -0.092 nan 4.420 nan 0.000 0.261 214 P C 0.592 177.923 177.300 0.052 0.000 1.203 214 P CA -0.053 63.098 63.100 0.084 0.000 0.767 214 P CB 0.652 32.376 31.700 0.040 0.000 0.785 215 M N 5.353 124.991 119.600 0.063 0.000 2.146 215 M HA -0.293 4.187 4.480 -0.000 0.000 0.256 215 M C 1.636 177.948 176.300 0.021 0.000 1.075 215 M CA 2.233 57.567 55.300 0.056 0.000 1.082 215 M CB -1.264 31.370 32.600 0.056 0.000 1.355 215 M HN 0.410 nan 8.290 nan 0.000 0.402 216 A N -0.606 122.214 122.820 -0.001 0.000 1.837 216 A HA -0.269 4.051 4.320 -0.000 0.000 0.216 216 A C 2.285 179.823 177.584 -0.076 0.000 1.210 216 A CA 3.604 55.626 52.037 -0.024 0.000 0.632 216 A CB -1.911 17.075 19.000 -0.024 0.000 0.843 216 A HN 0.714 nan 8.150 nan 0.000 0.448 217 T N -0.990 113.481 114.554 -0.139 0.000 2.760 217 T HA -0.224 4.126 4.350 -0.000 0.000 0.269 217 T C 1.756 176.243 174.700 -0.354 0.000 1.047 217 T CA 1.827 63.761 62.100 -0.278 0.000 1.139 217 T CB -0.942 67.677 68.868 -0.413 0.000 0.855 217 T HN 0.375 nan 8.240 nan 0.000 0.471 218 I N 1.551 121.977 120.570 -0.240 0.000 2.194 218 I HA -0.113 4.057 4.170 -0.000 0.000 0.246 218 I C 2.225 178.295 176.117 -0.078 0.000 1.093 218 I CA 1.564 62.788 61.300 -0.126 0.000 1.355 218 I CB -0.388 37.654 38.000 0.071 0.000 1.046 218 I HN 0.468 nan 8.210 nan 0.000 0.413 219 A N -1.261 121.529 122.820 -0.050 0.000 2.959 219 A HA 0.568 4.888 4.320 -0.000 0.000 0.280 219 A C 0.590 178.112 177.584 -0.104 0.000 0.953 219 A CA -0.227 51.753 52.037 -0.094 0.000 1.047 219 A CB 0.448 19.565 19.000 0.195 0.000 1.147 219 A HN 0.215 nan 8.150 nan 0.000 0.489 220 S N -0.741 114.860 115.700 -0.166 0.000 4.997 220 S HA 0.175 4.645 4.470 -0.000 0.000 0.169 220 S C 0.505 175.046 174.600 -0.098 0.000 1.122 220 S CA 0.067 58.222 58.200 -0.074 0.000 1.305 220 S CB -0.239 62.937 63.200 -0.040 0.000 1.806 220 S HN 0.434 nan 8.310 nan 0.000 0.547 221 M N 2.573 122.071 119.600 -0.170 0.000 3.170 221 M HA 0.343 4.823 4.480 -0.000 0.000 0.263 221 M C -2.991 173.144 176.300 -0.275 0.000 1.153 221 M CA -1.562 53.642 55.300 -0.160 0.000 0.949 221 M CB 0.407 32.941 32.600 -0.110 0.000 1.291 221 M HN -0.025 nan 8.290 nan 0.000 0.550 222 P HA 0.065 nan 4.420 nan 0.000 0.271 222 P C -0.098 177.113 177.300 -0.150 0.000 1.233 222 P CA 0.255 63.130 63.100 -0.375 0.000 0.764 222 P CB 0.436 31.763 31.700 -0.621 0.000 0.825 223 R N 2.715 123.266 120.500 0.085 0.000 2.531 223 R HA 0.389 4.729 4.340 -0.000 0.000 0.316 223 R C -0.182 176.133 176.300 0.025 0.000 0.955 223 R CA -0.249 55.887 56.100 0.060 0.000 1.120 223 R CB 0.223 30.551 30.300 0.047 0.000 1.361 223 R HN 0.290 nan 8.270 nan 0.000 0.534 224 L N 0.469 121.673 121.223 -0.031 0.000 2.445 224 L HA 0.427 4.767 4.340 -0.000 0.000 0.262 224 L C -2.159 174.564 176.870 -0.245 0.000 0.974 224 L CA -2.583 52.093 54.840 -0.274 0.000 0.822 224 L CB 2.999 44.675 42.059 -0.639 0.000 1.339 224 L HN -0.302 nan 8.230 nan 0.000 0.409 225 P HA -0.188 nan 4.420 nan 0.000 0.218 225 P C 0.713 177.987 177.300 -0.044 0.000 1.146 225 P CA 1.261 64.332 63.100 -0.049 0.000 0.820 225 P CB 0.401 32.093 31.700 -0.014 0.000 0.778 226 E N -1.988 118.138 120.200 -0.124 0.000 2.107 226 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 226 E C 1.819 178.439 176.600 0.032 0.000 0.982 226 E CA 1.011 57.415 56.400 0.007 0.000 0.809 226 E CB -0.823 28.961 29.700 0.140 0.000 0.756 226 E HN 0.533 nan 8.360 nan 0.000 0.459 227 H N -1.295 117.669 119.070 -0.177 0.000 2.423 227 H HA -0.004 4.552 4.556 -0.000 0.000 0.297 227 H C 0.717 176.007 175.328 -0.065 0.000 1.075 227 H CA 0.709 56.617 56.048 -0.234 0.000 1.342 227 H CB 0.067 29.614 29.762 -0.358 0.000 1.395 227 H HN 0.163 nan 8.280 nan 0.000 0.530 228 C N 0.920 120.259 119.300 0.064 0.000 2.305 228 C HA 0.221 4.681 4.460 -0.000 0.000 0.361 228 C C 1.469 176.536 174.990 0.130 0.000 1.312 228 C CA 0.054 59.111 59.018 0.066 0.000 1.705 228 C CB -1.777 25.978 27.740 0.025 0.000 1.882 228 C HN 0.552 nan 8.230 nan 0.000 0.587 229 I N -1.297 119.373 120.570 0.167 0.000 4.505 229 I HA 0.034 4.204 4.170 -0.000 0.000 0.294 229 I C 2.139 178.369 176.117 0.188 0.000 1.144 229 I CA 0.206 61.605 61.300 0.164 0.000 1.325 229 I CB -0.326 37.754 38.000 0.133 0.000 1.663 229 I HN 0.071 nan 8.210 nan 0.000 0.454 230 E N 1.555 121.895 120.200 0.234 0.000 2.219 230 E HA -0.275 4.075 4.350 -0.000 0.000 0.198 230 E C 1.894 178.627 176.600 0.222 0.000 0.998 230 E CA 1.920 58.472 56.400 0.255 0.000 0.818 230 E CB -0.236 29.728 29.700 0.441 0.000 0.741 230 E HN 0.547 nan 8.360 nan 0.000 0.477 231 Y N -0.197 120.171 120.300 0.113 0.000 2.138 231 Y HA -0.069 4.481 4.550 -0.000 0.000 0.286 231 Y C 1.881 177.851 175.900 0.117 0.000 1.115 231 Y CA 1.589 59.743 58.100 0.090 0.000 1.105 231 Y CB -0.429 38.057 38.460 0.043 0.000 1.004 231 Y HN -0.084 nan 8.280 nan 0.000 0.494 232 V N 2.390 122.404 119.914 0.167 0.000 3.244 232 V HA -0.227 3.893 4.120 -0.000 0.000 0.273 232 V C 2.069 178.248 176.094 0.142 0.000 1.180 232 V CA 2.142 64.496 62.300 0.090 0.000 1.182 232 V CB -1.172 30.724 31.823 0.121 0.000 0.796 232 V HN 0.500 nan 8.190 nan 0.000 0.543 233 R N -0.463 120.093 120.500 0.093 0.000 2.302 233 R HA 0.214 4.554 4.340 -0.000 0.000 0.187 233 R C 2.022 178.352 176.300 0.051 0.000 0.904 233 R CA 0.285 56.443 56.100 0.098 0.000 1.105 233 R CB -0.060 30.273 30.300 0.054 0.000 1.239 233 R HN 0.417 nan 8.270 nan 0.000 0.620 234 M N 0.823 120.438 119.600 0.024 0.000 2.558 234 M HA 0.145 4.625 4.480 -0.000 0.000 0.255 234 M C 0.375 176.668 176.300 -0.012 0.000 1.113 234 M CA 1.142 56.454 55.300 0.019 0.000 1.097 234 M CB 0.457 33.088 32.600 0.050 0.000 1.426 234 M HN 0.298 nan 8.290 nan 0.000 0.488 235 L N -2.199 118.952 121.223 -0.120 0.000 2.692 235 L HA 0.092 4.432 4.340 -0.000 0.000 0.175 235 L C 2.095 178.863 176.870 -0.170 0.000 1.112 235 L CA 0.042 54.771 54.840 -0.185 0.000 0.908 235 L CB -0.824 41.033 42.059 -0.336 0.000 1.672 235 L HN 0.088 nan 8.230 nan 0.000 0.500 236 Q N 0.489 120.060 119.800 -0.382 0.000 2.135 236 Q HA -0.254 4.086 4.340 -0.000 0.000 0.204 236 Q C 2.068 178.210 176.000 0.237 0.000 0.981 236 Q CA 2.324 58.081 55.803 -0.076 0.000 0.856 236 Q CB -0.102 28.602 28.738 -0.058 0.000 0.902 236 Q HN 0.608 nan 8.270 nan 0.000 0.425 237 W N 1.199 122.594 121.300 0.158 0.000 2.378 237 W HA -0.043 4.617 4.660 -0.000 0.000 0.313 237 W C -1.235 175.311 176.519 0.045 0.000 1.197 237 W CA 1.192 58.666 57.345 0.214 0.000 1.304 237 W CB -1.486 28.115 29.460 0.234 0.000 1.148 237 W HN 0.145 nan 8.180 nan 0.000 0.494 238 P HA -0.157 nan 4.420 nan 0.000 0.216 238 P C 1.183 178.516 177.300 0.056 0.000 1.150 238 P CA 2.517 65.757 63.100 0.233 0.000 0.837 238 P CB -0.329 31.485 31.700 0.189 0.000 0.786 239 K N -0.225 120.204 120.400 0.049 0.000 2.551 239 K HA 0.000 4.320 4.320 -0.000 0.000 0.192 239 K C -0.107 176.482 176.600 -0.018 0.000 1.027 239 K CA 0.680 56.977 56.287 0.017 0.000 1.059 239 K CB -0.086 32.435 32.500 0.035 0.000 0.831 239 K HN 0.368 nan 8.250 nan 0.000 0.508 240 E N 0.575 120.719 120.200 -0.093 0.000 3.152 240 E HA 0.027 4.377 4.350 -0.000 0.000 0.320 240 E C -1.324 174.999 176.600 -0.461 0.000 1.108 240 E CA -0.301 55.997 56.400 -0.171 0.000 1.032 240 E CB 0.349 30.032 29.700 -0.029 0.000 1.351 240 E HN -0.051 nan 8.360 nan 0.000 0.391 241 Q N 1.863 121.367 119.800 -0.493 0.000 2.586 241 Q HA -0.060 4.280 4.340 -0.000 0.000 0.312 241 Q C -1.678 173.809 176.000 -0.855 0.000 1.165 241 Q CA -0.168 55.187 55.803 -0.748 0.000 1.065 241 Q CB 0.137 28.631 28.738 -0.406 0.000 1.054 241 Q HN 0.281 nan 8.270 nan 0.000 0.408 242 P HA -0.116 nan 4.420 nan 0.000 0.219 242 P C -0.509 176.024 177.300 -1.278 0.000 1.150 242 P CA 1.093 63.283 63.100 -1.516 0.000 0.814 242 P CB 0.358 30.534 31.700 -2.540 0.000 0.787 243 F N -0.372 119.122 119.950 -0.759 0.000 2.532 243 F HA 0.550 5.077 4.527 -0.000 0.000 0.313 243 F C 0.949 176.579 175.800 -0.283 0.000 1.301 243 F CA -0.507 57.245 58.000 -0.413 0.000 1.154 243 F CB 0.122 38.928 39.000 -0.323 0.000 1.335 243 F HN -0.123 nan 8.300 nan 0.000 0.542 244 G N 0.991 109.685 108.800 -0.178 0.000 2.850 244 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.686 244 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.686 244 G C -0.307 174.521 174.900 -0.119 0.000 1.164 244 G CA -1.113 43.919 45.100 -0.114 0.000 0.826 244 G HN 0.457 nan 8.290 nan 0.000 0.586 245 E N 0.529 120.665 120.200 -0.106 0.000 2.459 245 E HA 0.339 4.689 4.350 -0.000 0.000 0.264 245 E C 1.627 178.210 176.600 -0.027 0.000 1.055 245 E CA 1.034 57.385 56.400 -0.082 0.000 0.957 245 E CB 0.284 29.948 29.700 -0.060 0.000 0.952 245 E HN 2.147 nan 8.360 nan 0.000 0.448 246 G N 1.005 109.807 108.800 0.002 0.000 2.302 246 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.263 246 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.263 246 G C 0.410 175.362 174.900 0.087 0.000 0.995 246 G CA 0.375 45.501 45.100 0.043 0.000 0.622 246 G HN 0.413 nan 8.290 nan 0.000 0.538 247 V N 3.197 123.168 119.914 0.095 0.000 2.479 247 V HA 0.368 4.488 4.120 -0.000 0.000 0.281 247 V C -1.107 175.197 176.094 0.351 0.000 1.031 247 V CA -0.854 61.548 62.300 0.170 0.000 1.038 247 V CB 1.036 32.947 31.823 0.147 0.000 0.981 247 V HN 0.196 nan 8.190 nan 0.000 0.478 248 P HA 0.186 nan 4.420 nan 0.000 0.274 248 P C -0.587 176.832 177.300 0.198 0.000 1.237 248 P CA -0.662 62.587 63.100 0.247 0.000 0.793 248 P CB 0.493 32.249 31.700 0.094 0.000 0.977 249 L N 2.235 123.275 121.223 -0.305 0.000 2.385 249 L HA 0.225 4.565 4.340 -0.000 0.000 0.281 249 L C -0.224 176.509 176.870 -0.228 0.000 1.106 249 L CA 0.205 54.599 54.840 -0.744 0.000 0.856 249 L CB -0.884 40.489 42.059 -1.144 0.000 1.186 249 L HN 0.176 nan 8.230 nan 0.000 0.453 250 D N 3.658 124.029 120.400 -0.049 0.000 2.479 250 D HA 0.259 4.899 4.640 -0.000 0.000 0.218 250 D C 1.302 177.428 176.300 -0.289 0.000 1.131 250 D CA 0.329 54.181 54.000 -0.247 0.000 0.916 250 D CB 1.284 41.841 40.800 -0.405 0.000 1.022 250 D HN 0.759 nan 8.370 nan 0.000 0.515 251 G N 3.200 111.889 108.800 -0.184 0.000 2.503 251 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.221 251 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.221 251 G C 1.105 175.925 174.900 -0.133 0.000 1.131 251 G CA 0.555 45.570 45.100 -0.141 0.000 0.756 251 G HN 0.439 nan 8.290 nan 0.000 0.572 252 D N 0.226 120.541 120.400 -0.142 0.000 2.363 252 D HA 0.033 4.673 4.640 -0.000 0.000 0.220 252 D C 0.520 176.741 176.300 -0.131 0.000 0.994 252 D CA 0.180 54.114 54.000 -0.112 0.000 0.890 252 D CB 0.059 40.803 40.800 -0.094 0.000 0.906 252 D HN 0.207 nan 8.370 nan 0.000 0.530 253 D N 1.046 121.300 120.400 -0.244 0.000 2.336 253 D HA 0.025 4.665 4.640 -0.000 0.000 0.249 253 D C -1.488 174.755 176.300 -0.096 0.000 1.213 253 D CA -1.814 52.014 54.000 -0.286 0.000 0.870 253 D CB 1.711 42.052 40.800 -0.765 0.000 1.076 253 D HN 0.010 nan 8.370 nan 0.000 0.483 254 P HA -0.120 nan 4.420 nan 0.000 0.229 254 P C 0.659 178.114 177.300 0.258 0.000 1.150 254 P CA 0.890 64.091 63.100 0.167 0.000 0.765 254 P CB 0.561 32.343 31.700 0.138 0.000 0.783 255 E N -1.140 119.208 120.200 0.248 0.000 2.166 255 E HA -0.060 4.290 4.350 -0.000 0.000 0.192 255 E C 1.993 178.984 176.600 0.652 0.000 0.967 255 E CA 0.267 56.918 56.400 0.420 0.000 0.840 255 E CB -0.243 29.678 29.700 0.369 0.000 0.795 255 E HN 0.559 nan 8.360 nan 0.000 0.470 256 H N 0.320 119.588 119.070 0.331 0.000 2.428 256 H HA -0.016 4.540 4.556 -0.000 0.000 0.296 256 H C 2.151 177.758 175.328 0.466 0.000 1.062 256 H CA 0.581 56.943 56.048 0.523 0.000 1.350 256 H CB 0.193 30.094 29.762 0.231 0.000 1.403 256 H HN 0.123 nan 8.280 nan 0.000 0.533 257 I N 0.877 121.699 120.570 0.421 0.000 2.202 257 I HA -0.251 3.919 4.170 -0.000 0.000 0.242 257 I C 2.711 179.097 176.117 0.448 0.000 1.091 257 I CA 1.071 62.539 61.300 0.280 0.000 1.368 257 I CB -0.188 37.859 38.000 0.078 0.000 1.058 257 I HN 0.163 nan 8.210 nan 0.000 0.410 258 Q N 0.582 120.725 119.800 0.572 0.000 2.096 258 Q HA -0.271 4.069 4.340 -0.000 0.000 0.204 258 Q C 1.955 178.238 176.000 0.472 0.000 0.982 258 Q CA 2.025 58.182 55.803 0.590 0.000 0.850 258 Q CB -0.553 28.468 28.738 0.472 0.000 0.901 258 Q HN 0.568 nan 8.270 nan 0.000 0.422 259 W N -0.066 121.451 121.300 0.362 0.000 2.388 259 W HA -0.037 4.623 4.660 -0.000 0.000 0.294 259 W C 1.526 178.204 176.519 0.264 0.000 1.212 259 W CA 1.405 58.917 57.345 0.278 0.000 1.271 259 W CB -0.102 29.554 29.460 0.327 0.000 1.126 259 W HN 0.179 nan 8.180 nan 0.000 0.535 260 I N -0.329 120.484 120.570 0.404 0.000 2.353 260 I HA -0.239 3.931 4.170 -0.000 0.000 0.248 260 I C 2.360 178.550 176.117 0.121 0.000 1.119 260 I CA 0.959 62.379 61.300 0.201 0.000 1.417 260 I CB -0.817 37.374 38.000 0.318 0.000 1.078 260 I HN -0.033 nan 8.210 nan 0.000 0.421 261 F N 2.154 122.149 119.950 0.075 0.000 2.102 261 F HA -0.264 4.263 4.527 -0.000 0.000 0.298 261 F C 2.502 178.312 175.800 0.017 0.000 1.105 261 F CA 1.931 59.973 58.000 0.070 0.000 1.239 261 F CB -0.756 38.359 39.000 0.193 0.000 0.991 261 F HN 0.004 nan 8.300 nan 0.000 0.474 262 Q N 0.822 120.422 119.800 -0.333 0.000 2.050 262 Q HA -0.153 4.187 4.340 -0.000 0.000 0.202 262 Q C 1.926 177.686 176.000 -0.401 0.000 0.980 262 Q CA 1.818 57.330 55.803 -0.485 0.000 0.840 262 Q CB -0.243 28.312 28.738 -0.305 0.000 0.898 262 Q HN 0.135 nan 8.270 nan 0.000 0.424 263 K N -0.365 119.756 120.400 -0.466 0.000 2.486 263 K HA 0.107 4.427 4.320 -0.000 0.000 0.194 263 K C 1.779 178.269 176.600 -0.184 0.000 1.033 263 K CA 0.522 56.553 56.287 -0.427 0.000 1.004 263 K CB 0.239 32.260 32.500 -0.799 0.000 0.798 263 K HN 0.117 nan 8.250 nan 0.000 0.495 264 S N 0.874 116.501 115.700 -0.123 0.000 2.404 264 S HA 0.116 4.586 4.470 -0.000 0.000 0.223 264 S C 1.940 176.540 174.600 -0.000 0.000 1.040 264 S CA 0.142 58.351 58.200 0.015 0.000 0.957 264 S CB 0.063 63.340 63.200 0.128 0.000 0.826 264 S HN 0.143 nan 8.310 nan 0.000 0.491 265 L N 1.714 122.878 121.223 -0.098 0.000 2.042 265 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 265 L C 2.478 179.315 176.870 -0.056 0.000 1.076 265 L CA 1.377 56.165 54.840 -0.087 0.000 0.749 265 L CB -0.550 41.362 42.059 -0.245 0.000 0.893 265 L HN 0.355 nan 8.230 nan 0.000 0.432 266 E N -0.476 119.672 120.200 -0.087 0.000 2.051 266 E HA -0.277 4.073 4.350 -0.000 0.000 0.192 266 E C 2.236 178.836 176.600 -0.000 0.000 0.991 266 E CA 1.121 57.489 56.400 -0.052 0.000 0.799 266 E CB -0.124 29.531 29.700 -0.075 0.000 0.748 266 E HN 0.205 nan 8.360 nan 0.000 0.449 267 R N 1.092 121.604 120.500 0.020 0.000 2.092 267 R HA -0.070 4.270 4.340 -0.000 0.000 0.231 267 R C 1.954 178.316 176.300 0.103 0.000 1.119 267 R CA 1.505 57.641 56.100 0.060 0.000 0.970 267 R CB -0.521 29.810 30.300 0.050 0.000 0.864 267 R HN 0.173 nan 8.270 nan 0.000 0.440 268 A N -0.768 122.093 122.820 0.068 0.000 1.855 268 A HA -0.125 4.195 4.320 -0.000 0.000 0.215 268 A C 2.253 179.891 177.584 0.090 0.000 1.191 268 A CA 1.756 53.840 52.037 0.078 0.000 0.613 268 A CB -1.178 17.860 19.000 0.064 0.000 0.829 268 A HN 0.445 nan 8.150 nan 0.000 0.442 269 S N -0.640 115.091 115.700 0.051 0.000 2.387 269 S HA -0.288 4.182 4.470 -0.000 0.000 0.230 269 S C 2.148 176.762 174.600 0.023 0.000 1.035 269 S CA 1.953 60.169 58.200 0.028 0.000 1.014 269 S CB -0.454 62.745 63.200 -0.000 0.000 0.836 269 S HN 0.649 nan 8.310 nan 0.000 0.466 270 Q N -1.240 118.582 119.800 0.037 0.000 2.096 270 Q HA -0.131 4.209 4.340 -0.000 0.000 0.204 270 Q C 0.768 176.683 176.000 -0.142 0.000 0.982 270 Q CA 1.684 57.457 55.803 -0.049 0.000 0.850 270 Q CB -0.141 28.583 28.738 -0.024 0.000 0.901 270 Q HN 0.749 nan 8.270 nan 0.000 0.422 271 Y N 0.758 121.031 120.300 -0.044 0.000 2.607 271 Y HA 0.107 4.657 4.550 -0.000 0.000 0.266 271 Y C 0.021 175.907 175.900 -0.023 0.000 1.178 271 Y CA -0.439 57.639 58.100 -0.038 0.000 1.226 271 Y CB -0.091 38.342 38.460 -0.046 0.000 1.144 271 Y HN 0.222 nan 8.280 nan 0.000 0.528 272 N N 0.453 119.210 118.700 0.095 0.000 2.699 272 N HA -0.273 4.467 4.740 -0.000 0.000 0.256 272 N C -0.876 174.672 175.510 0.063 0.000 0.993 272 N CA 0.740 53.825 53.050 0.058 0.000 0.759 272 N CB -1.817 36.688 38.487 0.029 0.000 0.906 272 N HN 0.506 nan 8.380 nan 0.000 0.541 273 I N 0.658 121.270 120.570 0.071 0.000 2.337 273 I HA 0.243 4.413 4.170 -0.000 0.000 0.285 273 I C 1.157 177.299 176.117 0.041 0.000 1.041 273 I CA -0.652 60.677 61.300 0.048 0.000 1.199 273 I CB 0.795 38.816 38.000 0.035 0.000 1.370 273 I HN -0.017 nan 8.210 nan 0.000 0.470 274 R N 3.602 124.123 120.500 0.035 0.000 2.679 274 R HA 0.437 4.777 4.340 -0.000 0.000 0.269 274 R C 1.043 177.364 176.300 0.034 0.000 1.076 274 R CA 0.540 56.663 56.100 0.038 0.000 1.160 274 R CB 0.516 30.836 30.300 0.032 0.000 1.054 274 R HN 0.945 nan 8.270 nan 0.000 0.507 275 G N -0.108 108.719 108.800 0.045 0.000 2.205 275 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.180 275 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.180 275 G C -0.233 174.698 174.900 0.051 0.000 1.004 275 G CA -0.475 44.646 45.100 0.036 0.000 0.670 275 G HN 0.401 nan 8.290 nan 0.000 0.496 276 V N 1.282 121.252 119.914 0.093 0.000 2.498 276 V HA 0.773 4.893 4.120 -0.000 0.000 0.279 276 V C 0.674 176.869 176.094 0.169 0.000 1.048 276 V CA 0.975 63.362 62.300 0.145 0.000 0.967 276 V CB 1.451 33.403 31.823 0.216 0.000 0.988 276 V HN 0.561 nan 8.190 nan 0.000 0.473 277 T N 2.835 117.415 114.554 0.043 0.000 2.792 277 T HA 0.334 4.684 4.350 -0.000 0.000 0.303 277 T C 0.162 174.559 174.700 -0.504 0.000 1.310 277 T CA -0.291 61.700 62.100 -0.183 0.000 1.007 277 T CB 1.144 69.961 68.868 -0.086 0.000 1.335 277 T HN 0.478 nan 8.240 nan 0.000 0.504 278 Y N 1.950 121.714 120.300 -0.892 0.000 2.114 278 Y HA 0.057 4.607 4.550 -0.000 0.000 0.284 278 Y C 2.775 178.494 175.900 -0.301 0.000 1.143 278 Y CA 2.437 60.092 58.100 -0.741 0.000 1.135 278 Y CB -0.071 38.054 38.460 -0.559 0.000 0.980 278 Y HN 0.655 nan 8.280 nan 0.000 0.499 279 R N -0.156 120.285 120.500 -0.098 0.000 2.091 279 R HA -0.213 4.127 4.340 -0.000 0.000 0.238 279 R C 2.208 178.432 176.300 -0.126 0.000 1.136 279 R CA 1.887 57.935 56.100 -0.088 0.000 0.959 279 R CB -0.695 29.596 30.300 -0.016 0.000 0.856 279 R HN 0.467 nan 8.270 nan 0.000 0.437 280 L N 0.642 121.800 121.223 -0.107 0.000 2.093 280 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 280 L C 1.877 178.696 176.870 -0.084 0.000 1.085 280 L CA 2.062 56.860 54.840 -0.070 0.000 0.755 280 L CB -0.766 41.272 42.059 -0.034 0.000 0.904 280 L HN 0.128 nan 8.230 nan 0.000 0.435 281 T N -0.865 113.607 114.554 -0.137 0.000 2.821 281 T HA -0.173 4.177 4.350 -0.000 0.000 0.267 281 T C 1.838 176.436 174.700 -0.169 0.000 1.046 281 T CA 1.415 63.449 62.100 -0.109 0.000 1.139 281 T CB -0.085 68.731 68.868 -0.086 0.000 0.871 281 T HN 0.451 nan 8.240 nan 0.000 0.454 282 Q N -0.064 119.560 119.800 -0.293 0.000 2.119 282 Q HA -0.034 4.306 4.340 -0.000 0.000 0.201 282 Q C 2.635 178.551 176.000 -0.141 0.000 0.972 282 Q CA 1.242 56.885 55.803 -0.267 0.000 0.847 282 Q CB -0.294 28.249 28.738 -0.325 0.000 0.903 282 Q HN 0.591 nan 8.270 nan 0.000 0.433 283 G N -0.333 108.401 108.800 -0.111 0.000 2.408 283 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.217 283 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.217 283 G C 1.419 176.288 174.900 -0.052 0.000 1.150 283 G CA 0.728 45.786 45.100 -0.069 0.000 0.776 283 G HN 0.209 nan 8.290 nan 0.000 0.542 284 V N 0.565 120.456 119.914 -0.038 0.000 2.323 284 V HA -0.109 4.011 4.120 -0.000 0.000 0.244 284 V C 2.962 179.041 176.094 -0.025 0.000 1.041 284 V CA 1.206 63.500 62.300 -0.010 0.000 1.025 284 V CB -0.356 31.493 31.823 0.043 0.000 0.656 284 V HN 0.213 nan 8.190 nan 0.000 0.451 285 V N -0.238 119.656 119.914 -0.034 0.000 2.594 285 V HA -0.195 3.925 4.120 -0.000 0.000 0.253 285 V C 2.020 178.074 176.094 -0.067 0.000 1.069 285 V CA 1.801 64.073 62.300 -0.047 0.000 1.082 285 V CB -0.636 31.157 31.823 -0.051 0.000 0.680 285 V HN 0.530 nan 8.190 nan 0.000 0.469 286 K N -1.028 119.330 120.400 -0.069 0.000 2.387 286 K HA 0.270 4.590 4.320 -0.000 0.000 0.203 286 K C 0.385 176.947 176.600 -0.063 0.000 1.030 286 K CA -0.498 55.748 56.287 -0.070 0.000 1.099 286 K CB 0.601 33.058 32.500 -0.072 0.000 0.863 286 K HN 0.070 nan 8.250 nan 0.000 0.529 287 R N 1.353 121.816 120.500 -0.062 0.000 3.405 287 R HA -0.159 4.181 4.340 -0.000 0.000 0.258 287 R C -0.421 175.847 176.300 -0.053 0.000 1.030 287 R CA 0.302 56.365 56.100 -0.062 0.000 0.691 287 R CB -2.287 27.973 30.300 -0.068 0.000 1.093 287 R HN 0.282 nan 8.270 nan 0.000 0.448 288 I N 0.662 121.201 120.570 -0.051 0.000 2.815 288 I HA -0.065 4.105 4.170 -0.000 0.000 0.291 288 I C 0.998 177.091 176.117 -0.039 0.000 1.209 288 I CA 0.705 61.979 61.300 -0.044 0.000 1.431 288 I CB 0.332 38.305 38.000 -0.045 0.000 1.351 288 I HN 0.134 nan 8.210 nan 0.000 0.585 289 I N 7.971 128.518 120.570 -0.037 0.000 2.382 289 I HA 0.246 4.416 4.170 -0.000 0.000 0.285 289 I C -1.840 174.247 176.117 -0.049 0.000 1.007 289 I CA -1.899 59.379 61.300 -0.037 0.000 1.142 289 I CB 1.421 39.404 38.000 -0.029 0.000 1.289 289 I HN 0.407 nan 8.210 nan 0.000 0.453 290 P HA 0.100 nan 4.420 nan 0.000 0.261 290 P C -0.830 176.395 177.300 -0.124 0.000 1.173 290 P CA 0.042 63.091 63.100 -0.085 0.000 0.760 290 P CB 0.926 32.573 31.700 -0.089 0.000 0.783 291 A N 3.082 125.832 122.820 -0.118 0.000 2.455 291 A HA 0.631 4.951 4.320 -0.000 0.000 0.300 291 A C -0.385 177.127 177.584 -0.121 0.000 1.040 291 A CA -0.598 51.364 52.037 -0.125 0.000 0.697 291 A CB 1.785 20.744 19.000 -0.068 0.000 1.265 291 A HN 0.398 nan 8.150 nan 0.000 0.407 292 V N -0.581 119.246 119.914 -0.145 0.000 2.919 292 V HA 0.846 4.966 4.120 -0.000 0.000 0.316 292 V C 1.073 177.154 176.094 -0.023 0.000 1.077 292 V CA -0.090 62.164 62.300 -0.076 0.000 0.977 292 V CB 1.130 32.905 31.823 -0.081 0.000 1.039 292 V HN 1.510 nan 8.190 nan 0.000 0.441 293 A N 1.443 124.269 122.820 0.010 0.000 1.929 293 A HA -0.045 4.275 4.320 -0.000 0.000 0.216 293 A C 2.283 179.876 177.584 0.015 0.000 1.176 293 A CA 2.011 54.058 52.037 0.016 0.000 0.628 293 A CB -0.967 18.044 19.000 0.018 0.000 0.816 293 A HN 1.458 nan 8.150 nan 0.000 0.444 294 S N -0.098 115.629 115.700 0.045 0.000 2.368 294 S HA -0.232 4.238 4.470 -0.000 0.000 0.226 294 S C 1.858 176.497 174.600 0.066 0.000 1.044 294 S CA 2.207 60.448 58.200 0.068 0.000 1.062 294 S CB -1.510 61.780 63.200 0.150 0.000 0.931 294 S HN 0.492 nan 8.310 nan 0.000 0.440 295 T N 2.684 117.301 114.554 0.104 0.000 2.788 295 T HA -0.023 4.327 4.350 -0.000 0.000 0.268 295 T C 1.770 176.472 174.700 0.004 0.000 1.044 295 T CA 1.366 63.532 62.100 0.111 0.000 1.139 295 T CB -0.540 68.413 68.868 0.141 0.000 0.867 295 T HN 0.419 nan 8.240 nan 0.000 0.454 296 N N 1.271 119.968 118.700 -0.004 0.000 2.244 296 N HA 0.046 4.786 4.740 -0.000 0.000 0.183 296 N C 2.115 177.599 175.510 -0.044 0.000 1.016 296 N CA 1.096 54.133 53.050 -0.021 0.000 0.866 296 N CB -0.378 38.106 38.487 -0.005 0.000 0.980 296 N HN 0.427 nan 8.380 nan 0.000 0.430 297 A N 0.658 123.447 122.820 -0.051 0.000 1.969 297 A HA -0.054 4.266 4.320 -0.000 0.000 0.218 297 A C 2.478 179.987 177.584 -0.125 0.000 1.169 297 A CA 1.053 53.041 52.037 -0.082 0.000 0.635 297 A CB -0.534 18.410 19.000 -0.094 0.000 0.810 297 A HN 0.087 nan 8.150 nan 0.000 0.445 298 V N 0.413 120.227 119.914 -0.167 0.000 2.244 298 V HA -0.204 3.916 4.120 -0.000 0.000 0.244 298 V C 2.428 178.362 176.094 -0.267 0.000 1.042 298 V CA 1.700 63.824 62.300 -0.293 0.000 1.006 298 V CB -0.646 30.837 31.823 -0.566 0.000 0.641 298 V HN 0.478 nan 8.190 nan 0.000 0.446 299 I N 0.960 121.401 120.570 -0.214 0.000 2.179 299 I HA -0.213 3.957 4.170 -0.000 0.000 0.242 299 I C 2.717 178.755 176.117 -0.132 0.000 1.088 299 I CA 1.991 63.191 61.300 -0.166 0.000 1.357 299 I CB -1.812 36.123 38.000 -0.107 0.000 1.051 299 I HN 0.306 nan 8.210 nan 0.000 0.409 300 A N 0.603 123.362 122.820 -0.101 0.000 2.024 300 A HA -0.120 4.200 4.320 -0.000 0.000 0.220 300 A C 2.509 180.040 177.584 -0.087 0.000 1.164 300 A CA 1.947 53.937 52.037 -0.079 0.000 0.643 300 A CB -0.644 18.326 19.000 -0.050 0.000 0.806 300 A HN 0.448 nan 8.150 nan 0.000 0.451 301 A N -0.693 122.059 122.820 -0.113 0.000 1.874 301 A HA 0.118 4.438 4.320 -0.000 0.000 0.214 301 A C 2.196 179.706 177.584 -0.125 0.000 1.189 301 A CA 1.440 53.407 52.037 -0.118 0.000 0.615 301 A CB -0.817 18.097 19.000 -0.143 0.000 0.830 301 A HN 0.344 nan 8.150 nan 0.000 0.443 302 V N -0.376 119.449 119.914 -0.148 0.000 2.261 302 V HA -0.346 3.774 4.120 -0.000 0.000 0.246 302 V C 2.678 178.704 176.094 -0.114 0.000 1.047 302 V CA 2.155 64.367 62.300 -0.146 0.000 1.015 302 V CB -1.307 30.414 31.823 -0.170 0.000 0.642 302 V HN 0.695 nan 8.190 nan 0.000 0.446 303 C N 0.393 119.627 119.300 -0.110 0.000 2.413 303 C HA -0.136 4.324 4.460 -0.000 0.000 0.277 303 C C 3.106 178.056 174.990 -0.067 0.000 1.265 303 C CA 0.822 59.785 59.018 -0.092 0.000 1.752 303 C CB -1.493 26.190 27.740 -0.094 0.000 1.998 303 C HN 0.651 nan 8.230 nan 0.000 0.489 304 A N 0.094 122.878 122.820 -0.059 0.000 1.873 304 A HA -0.169 4.151 4.320 -0.000 0.000 0.215 304 A C 2.193 179.801 177.584 0.039 0.000 1.186 304 A CA 2.400 54.423 52.037 -0.022 0.000 0.616 304 A CB -1.167 17.823 19.000 -0.017 0.000 0.823 304 A HN 0.536 nan 8.150 nan 0.000 0.442 305 T N 0.032 114.579 114.554 -0.012 0.000 2.849 305 T HA -0.117 4.233 4.350 -0.000 0.000 0.270 305 T C 1.772 176.510 174.700 0.063 0.000 1.066 305 T CA 1.587 63.682 62.100 -0.008 0.000 1.130 305 T CB -0.185 68.617 68.868 -0.111 0.000 0.864 305 T HN 0.453 nan 8.240 nan 0.000 0.481 306 E N 0.556 120.768 120.200 0.020 0.000 2.051 306 E HA 0.010 4.360 4.350 -0.000 0.000 0.189 306 E C 2.546 179.181 176.600 0.058 0.000 0.979 306 E CA 0.482 56.895 56.400 0.021 0.000 0.803 306 E CB -0.699 28.983 29.700 -0.030 0.000 0.761 306 E HN 0.290 nan 8.360 nan 0.000 0.451 307 V N 1.494 121.435 119.914 0.045 0.000 2.324 307 V HA -0.258 3.862 4.120 -0.000 0.000 0.250 307 V C 2.181 178.403 176.094 0.213 0.000 1.060 307 V CA 1.847 64.169 62.300 0.038 0.000 1.042 307 V CB -0.584 31.168 31.823 -0.118 0.000 0.650 307 V HN 0.146 nan 8.190 nan 0.000 0.450 308 F N 0.903 120.958 119.950 0.175 0.000 2.075 308 F HA -0.178 4.349 4.527 -0.000 0.000 0.297 308 F C 2.427 178.306 175.800 0.133 0.000 1.113 308 F CA 1.987 60.129 58.000 0.235 0.000 1.218 308 F CB -0.281 38.792 39.000 0.121 0.000 0.984 308 F HN -0.010 nan 8.300 nan 0.000 0.472 309 K N 0.332 120.862 120.400 0.217 0.000 2.009 309 K HA -0.198 4.122 4.320 -0.000 0.000 0.210 309 K C 2.096 178.692 176.600 -0.008 0.000 1.049 309 K CA 2.188 58.547 56.287 0.120 0.000 0.929 309 K CB -0.498 32.088 32.500 0.143 0.000 0.714 309 K HN 0.343 nan 8.250 nan 0.000 0.440 310 I N 0.656 121.227 120.570 0.001 0.000 2.361 310 I HA -0.268 3.902 4.170 -0.000 0.000 0.251 310 I C 2.303 178.394 176.117 -0.043 0.000 1.133 310 I CA 1.058 62.337 61.300 -0.035 0.000 1.413 310 I CB -0.214 37.779 38.000 -0.011 0.000 1.073 310 I HN 0.189 nan 8.210 nan 0.000 0.424 311 A N 0.082 122.890 122.820 -0.019 0.000 2.030 311 A HA -0.086 4.234 4.320 -0.000 0.000 0.215 311 A C 2.308 179.818 177.584 -0.124 0.000 1.164 311 A CA 1.522 53.551 52.037 -0.014 0.000 0.697 311 A CB -0.562 18.519 19.000 0.135 0.000 0.827 311 A HN 0.470 nan 8.150 nan 0.000 0.457 312 T N -5.564 108.847 114.554 -0.237 0.000 3.034 312 T HA 0.171 4.521 4.350 -0.000 0.000 0.248 312 T C 0.786 175.493 174.700 0.011 0.000 1.040 312 T CA 1.089 63.070 62.100 -0.199 0.000 1.107 312 T CB -0.102 68.498 68.868 -0.447 0.000 0.932 312 T HN 0.700 nan 8.240 nan 0.000 0.474 313 S N 0.332 116.025 115.700 -0.013 0.000 3.576 313 S HA -0.154 4.316 4.470 -0.000 0.000 0.294 313 S C 1.219 175.938 174.600 0.198 0.000 1.224 313 S CA 0.418 58.655 58.200 0.061 0.000 0.866 313 S CB -2.011 61.278 63.200 0.148 0.000 1.017 313 S HN 1.072 nan 8.310 nan 0.000 0.597 314 A N -1.020 121.848 122.820 0.080 0.000 2.014 314 A HA 0.426 4.746 4.320 -0.000 0.000 0.218 314 A C 0.475 177.757 177.584 -0.503 0.000 1.163 314 A CA 1.277 53.203 52.037 -0.185 0.000 0.652 314 A CB 0.015 19.166 19.000 0.251 0.000 0.808 314 A HN 0.667 nan 8.150 nan 0.000 0.449 315 Y N -2.406 117.916 120.300 0.037 0.000 2.705 315 Y HA 0.495 5.045 4.550 -0.000 0.000 0.332 315 Y C -0.719 175.250 175.900 0.114 0.000 1.221 315 Y CA -1.780 56.365 58.100 0.075 0.000 1.059 315 Y CB 0.859 39.353 38.460 0.058 0.000 1.298 315 Y HN 0.033 nan 8.280 nan 0.000 0.459 316 I N 1.395 122.159 120.570 0.322 0.000 2.396 316 I HA 0.380 4.550 4.170 -0.000 0.000 0.289 316 I C -2.598 173.617 176.117 0.163 0.000 1.056 316 I CA -2.289 59.163 61.300 0.253 0.000 1.365 316 I CB -0.423 37.706 38.000 0.215 0.000 1.407 316 I HN 0.187 nan 8.210 nan 0.000 0.509 317 P HA 0.056 nan 4.420 nan 0.000 0.266 317 P C -0.299 177.016 177.300 0.025 0.000 1.195 317 P CA -0.507 62.621 63.100 0.046 0.000 0.768 317 P CB 0.463 32.173 31.700 0.017 0.000 0.838 318 L N 3.676 124.893 121.223 -0.011 0.000 2.700 318 L HA -0.076 4.264 4.340 -0.000 0.000 0.276 318 L C 0.387 177.232 176.870 -0.042 0.000 1.200 318 L CA 0.816 55.631 54.840 -0.040 0.000 0.951 318 L CB -0.928 41.083 42.059 -0.080 0.000 1.226 318 L HN 0.346 nan 8.230 nan 0.000 0.489 319 N N 4.668 123.348 118.700 -0.033 0.000 2.470 319 N HA 0.024 4.764 4.740 -0.000 0.000 0.268 319 N C 0.557 176.014 175.510 -0.089 0.000 1.136 319 N CA -0.373 52.657 53.050 -0.034 0.000 0.961 319 N CB 0.349 38.832 38.487 -0.007 0.000 1.067 319 N HN 0.814 nan 8.380 nan 0.000 0.468 320 N N 1.313 119.958 118.700 -0.092 0.000 1.767 320 N HA -0.367 4.373 4.740 -0.000 0.000 0.142 320 N C -0.260 175.134 175.510 -0.193 0.000 0.293 320 N CA 1.892 54.860 53.050 -0.137 0.000 1.332 320 N CB -0.786 37.613 38.487 -0.146 0.000 1.325 320 N HN 0.613 nan 8.380 nan 0.000 0.417 321 Y N 1.193 121.115 120.300 -0.630 0.000 2.468 321 Y HA 0.596 5.146 4.550 -0.000 0.000 0.342 321 Y C -0.396 175.207 175.900 -0.494 0.000 1.021 321 Y CA -0.996 56.706 58.100 -0.664 0.000 1.079 321 Y CB 1.193 38.990 38.460 -1.104 0.000 1.226 321 Y HN 0.366 nan 8.280 nan 0.000 0.460 322 L N 6.723 127.715 121.223 -0.384 0.000 2.410 322 L HA 0.698 5.038 4.340 -0.000 0.000 0.270 322 L C -2.017 174.766 176.870 -0.145 0.000 0.983 322 L CA -0.913 53.812 54.840 -0.192 0.000 0.822 322 L CB 1.302 43.244 42.059 -0.195 0.000 1.285 322 L HN 0.511 nan 8.230 nan 0.000 0.409 323 V N 6.265 126.249 119.914 0.116 0.000 2.680 323 V HA 0.682 4.802 4.120 -0.000 0.000 0.309 323 V C -1.518 174.715 176.094 0.231 0.000 1.052 323 V CA -0.517 61.910 62.300 0.211 0.000 0.908 323 V CB 2.100 34.166 31.823 0.405 0.000 1.001 323 V HN 0.727 nan 8.190 nan 0.000 0.431 324 F N 5.932 125.920 119.950 0.063 0.000 2.565 324 F HA 0.615 5.142 4.527 0.000 0.000 0.313 324 F C -0.648 175.227 175.800 0.126 0.000 1.091 324 F CA -0.499 57.538 58.000 0.062 0.000 0.915 324 F CB 1.843 40.852 39.000 0.016 0.000 1.208 324 F HN 0.598 nan 8.300 nan 0.000 0.453 325 N N 4.367 122.624 118.700 -0.738 0.000 2.397 325 N HA 0.166 4.906 4.740 -0.000 0.000 0.291 325 N C -0.850 174.234 175.510 -0.711 0.000 1.065 325 N CA -0.458 52.291 53.050 -0.501 0.000 0.884 325 N CB 1.493 39.927 38.487 -0.088 0.000 1.551 325 N HN 0.728 nan 8.380 nan 0.000 0.487 326 D N 2.547 122.670 120.400 -0.461 0.000 2.355 326 D HA 0.022 4.662 4.640 -0.000 0.000 0.206 326 D C 1.897 178.085 176.300 -0.186 0.000 1.010 326 D CA 0.570 54.421 54.000 -0.249 0.000 0.875 326 D CB 0.606 41.446 40.800 0.068 0.000 0.966 326 D HN 0.365 nan 8.370 nan 0.000 0.512 327 V N 0.681 120.511 119.914 -0.139 0.000 2.222 327 V HA -0.222 3.898 4.120 -0.000 0.000 0.252 327 V C 1.121 177.125 176.094 -0.150 0.000 1.060 327 V CA 1.730 63.934 62.300 -0.160 0.000 1.027 327 V CB -0.352 31.438 31.823 -0.054 0.000 0.644 327 V HN 0.142 nan 8.190 nan 0.000 0.448 328 D N -0.346 119.988 120.400 -0.109 0.000 2.472 328 D HA 0.471 5.111 4.640 -0.000 0.000 0.234 328 D C 0.427 176.683 176.300 -0.074 0.000 1.088 328 D CA 1.001 54.947 54.000 -0.091 0.000 0.882 328 D CB 0.409 41.160 40.800 -0.082 0.000 1.037 328 D HN 0.555 nan 8.370 nan 0.000 0.520 329 G N 2.524 111.285 108.800 -0.065 0.000 2.601 329 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.252 329 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.252 329 G C -0.760 174.125 174.900 -0.026 0.000 1.294 329 G CA -0.155 44.926 45.100 -0.031 0.000 0.912 329 G HN 0.557 nan 8.290 nan 0.000 0.574 330 L N -0.429 120.809 121.223 0.026 0.000 2.362 330 L HA 0.729 5.069 4.340 -0.000 0.000 0.275 330 L C -0.697 176.251 176.870 0.130 0.000 0.998 330 L CA -0.920 53.947 54.840 0.045 0.000 0.820 330 L CB 2.095 44.230 42.059 0.126 0.000 1.270 330 L HN 0.736 nan 8.230 nan 0.000 0.415 331 Y N 2.140 122.375 120.300 -0.109 0.000 2.470 331 Y HA 0.640 5.190 4.550 -0.000 0.000 0.341 331 Y C -0.640 175.288 175.900 0.046 0.000 1.021 331 Y CA -0.699 57.387 58.100 -0.023 0.000 1.025 331 Y CB 2.230 40.661 38.460 -0.048 0.000 1.266 331 Y HN 0.618 nan 8.280 nan 0.000 0.448 332 T N 2.268 116.452 114.554 -0.616 0.000 2.900 332 T HA 0.544 4.894 4.350 -0.000 0.000 0.303 332 T C -2.167 172.195 174.700 -0.563 0.000 1.142 332 T CA -0.725 61.170 62.100 -0.343 0.000 1.007 332 T CB 1.910 70.763 68.868 -0.025 0.000 1.156 332 T HN 0.620 nan 8.240 nan 0.000 0.490 333 Y N 1.043 121.144 120.300 -0.332 0.000 2.386 333 Y HA 0.620 5.170 4.550 -0.000 0.000 0.334 333 Y C -0.983 174.974 175.900 0.095 0.000 1.002 333 Y CA -0.590 57.436 58.100 -0.123 0.000 1.068 333 Y CB 2.165 40.645 38.460 0.034 0.000 1.203 333 Y HN 1.001 nan 8.280 nan 0.000 0.443 334 T N 7.465 121.696 114.554 -0.538 0.000 2.856 334 T HA 0.746 5.096 4.350 -0.000 0.000 0.283 334 T C -1.209 173.208 174.700 -0.470 0.000 1.008 334 T CA -0.428 61.446 62.100 -0.376 0.000 0.997 334 T CB 1.176 69.912 68.868 -0.221 0.000 0.992 334 T HN 0.541 nan 8.240 nan 0.000 0.454 335 F N -0.814 118.920 119.950 -0.361 0.000 2.831 335 F HA 0.659 5.186 4.527 -0.000 0.000 0.318 335 F C -1.036 174.723 175.800 -0.069 0.000 1.174 335 F CA -1.283 56.569 58.000 -0.247 0.000 0.918 335 F CB 1.523 40.378 39.000 -0.242 0.000 1.364 335 F HN 0.476 nan 8.300 nan 0.000 0.475 336 E N 1.773 122.112 120.200 0.232 0.000 2.167 336 E HA 0.569 4.919 4.350 -0.000 0.000 0.247 336 E C -0.487 176.255 176.600 0.236 0.000 0.961 336 E CA -0.765 55.696 56.400 0.100 0.000 0.797 336 E CB 0.920 30.675 29.700 0.091 0.000 1.182 336 E HN 0.950 nan 8.360 nan 0.000 0.437 337 A N 4.203 127.094 122.820 0.118 0.000 2.561 337 A HA -0.014 4.306 4.320 -0.000 0.000 0.234 337 A C 0.345 178.007 177.584 0.130 0.000 1.055 337 A CA 0.206 52.395 52.037 0.253 0.000 0.756 337 A CB 0.297 19.345 19.000 0.079 0.000 0.986 337 A HN 0.610 nan 8.150 nan 0.000 0.505 338 E N 1.040 121.310 120.200 0.118 0.000 2.331 338 E HA 0.151 4.501 4.350 -0.000 0.000 0.272 338 E C 0.043 176.673 176.600 0.050 0.000 1.036 338 E CA -0.382 56.059 56.400 0.069 0.000 0.864 338 E CB 1.084 30.817 29.700 0.053 0.000 1.035 338 E HN 0.600 nan 8.360 nan 0.000 0.408 339 R N 2.949 123.473 120.500 0.040 0.000 2.196 339 R HA 0.108 4.448 4.340 -0.000 0.000 0.340 339 R C -0.421 175.896 176.300 0.029 0.000 1.043 339 R CA -0.453 55.667 56.100 0.034 0.000 0.883 339 R CB 0.356 30.676 30.300 0.033 0.000 1.078 339 R HN 0.297 nan 8.270 nan 0.000 0.462 340 K N 3.629 124.045 120.400 0.026 0.000 2.416 340 K HA -0.032 4.288 4.320 -0.000 0.000 0.283 340 K C 0.303 176.914 176.600 0.018 0.000 1.037 340 K CA 0.122 56.421 56.287 0.019 0.000 0.995 340 K CB 0.773 33.284 32.500 0.018 0.000 0.938 340 K HN 0.574 nan 8.250 nan 0.000 0.475 341 E N 1.386 121.592 120.200 0.011 0.000 2.482 341 E HA -0.154 4.196 4.350 -0.000 0.000 0.196 341 E C 1.033 177.635 176.600 0.003 0.000 1.047 341 E CA 0.931 57.335 56.400 0.008 0.000 0.869 341 E CB -0.161 29.540 29.700 0.002 0.000 0.836 341 E HN 0.693 nan 8.360 nan 0.000 0.520 342 N N -0.611 118.091 118.700 0.002 0.000 2.409 342 N HA -0.036 4.704 4.740 -0.000 0.000 0.174 342 N C 0.293 175.813 175.510 0.018 0.000 1.037 342 N CA -0.250 52.799 53.050 -0.002 0.000 0.898 342 N CB -0.138 38.340 38.487 -0.015 0.000 1.010 342 N HN -0.019 nan 8.380 nan 0.000 0.445 343 C N 2.560 121.875 119.300 0.024 0.000 1.576 343 C HA -0.060 4.400 4.460 -0.000 0.000 0.442 343 C C -0.772 174.254 174.990 0.061 0.000 1.502 343 C CA -0.953 58.087 59.018 0.038 0.000 1.594 343 C CB 0.237 27.998 27.740 0.035 0.000 2.922 343 C HN 0.441 nan 8.230 nan 0.000 0.574 344 P HA -0.102 nan 4.420 nan 0.000 0.216 344 P C 1.278 178.630 177.300 0.087 0.000 1.150 344 P CA 2.634 65.819 63.100 0.141 0.000 0.837 344 P CB 0.061 31.851 31.700 0.150 0.000 0.786 345 A N -1.207 121.643 122.820 0.051 0.000 1.832 345 A HA -0.131 4.189 4.320 -0.000 0.000 0.214 345 A C 2.436 180.038 177.584 0.031 0.000 1.242 345 A CA 1.402 53.453 52.037 0.024 0.000 0.603 345 A CB -1.505 17.501 19.000 0.010 0.000 0.902 345 A HN 0.151 nan 8.150 nan 0.000 0.455 346 C N 1.020 120.342 119.300 0.036 0.000 2.391 346 C HA -0.073 4.387 4.460 -0.000 0.000 0.276 346 C C 1.843 176.866 174.990 0.055 0.000 1.217 346 C CA 1.011 60.058 59.018 0.048 0.000 1.766 346 C CB -1.499 26.267 27.740 0.044 0.000 2.046 346 C HN 0.729 nan 8.230 nan 0.000 0.475 347 S N 1.478 117.202 115.700 0.040 0.000 3.225 347 S HA -0.169 4.301 4.470 -0.000 0.000 0.378 347 S C 0.656 175.251 174.600 -0.007 0.000 1.190 347 S CA 0.315 58.528 58.200 0.021 0.000 1.104 347 S CB -0.049 63.172 63.200 0.034 0.000 0.795 347 S HN 0.739 nan 8.310 nan 0.000 0.517 348 Q N 1.561 121.322 119.800 -0.066 0.000 2.541 348 Q HA 0.026 4.366 4.340 -0.000 0.000 0.215 348 Q C -0.484 175.396 176.000 -0.200 0.000 0.977 348 Q CA 0.694 56.356 55.803 -0.235 0.000 0.934 348 Q CB -0.057 28.390 28.738 -0.484 0.000 0.988 348 Q HN 0.769 nan 8.270 nan 0.000 0.521 349 L N -1.046 120.123 121.223 -0.090 0.000 2.322 349 L HA 0.512 4.852 4.340 -0.000 0.000 0.252 349 L C -2.261 174.616 176.870 0.011 0.000 1.055 349 L CA -2.257 52.552 54.840 -0.052 0.000 0.849 349 L CB 1.553 43.581 42.059 -0.052 0.000 1.446 349 L HN -0.123 nan 8.230 nan 0.000 0.416 350 P HA 0.189 nan 4.420 nan 0.000 0.272 350 P C -1.326 176.053 177.300 0.132 0.000 1.254 350 P CA -0.442 62.727 63.100 0.114 0.000 0.795 350 P CB 0.355 32.121 31.700 0.109 0.000 1.022 351 Q N 0.935 120.881 119.800 0.243 0.000 2.293 351 Q HA 0.269 4.609 4.340 -0.000 0.000 0.261 351 Q C -0.575 175.395 176.000 -0.051 0.000 0.960 351 Q CA -0.575 55.268 55.803 0.068 0.000 0.882 351 Q CB 1.047 29.758 28.738 -0.046 0.000 1.275 351 Q HN 0.371 nan 8.270 nan 0.000 0.445 352 N N 3.527 122.136 118.700 -0.152 0.000 2.411 352 N HA 0.209 4.949 4.740 -0.000 0.000 0.259 352 N C -0.651 174.656 175.510 -0.339 0.000 1.103 352 N CA 0.110 52.984 53.050 -0.294 0.000 0.954 352 N CB 0.871 39.090 38.487 -0.447 0.000 1.085 352 N HN 0.390 nan 8.380 nan 0.000 0.485 353 I N 2.595 123.000 120.570 -0.276 0.000 2.355 353 I HA 0.146 4.316 4.170 -0.000 0.000 0.288 353 I C 0.327 176.290 176.117 -0.257 0.000 0.999 353 I CA -0.693 60.407 61.300 -0.334 0.000 1.163 353 I CB 1.249 39.098 38.000 -0.253 0.000 1.316 353 I HN 0.159 nan 8.210 nan 0.000 0.454 354 Q N 6.546 126.113 119.800 -0.388 0.000 2.296 354 Q HA 0.492 4.832 4.340 -0.000 0.000 0.262 354 Q C -1.088 174.743 176.000 -0.282 0.000 0.981 354 Q CA 0.300 55.966 55.803 -0.227 0.000 0.905 354 Q CB 1.424 30.018 28.738 -0.240 0.000 1.186 354 Q HN 0.499 nan 8.270 nan 0.000 0.399 355 F N 0.462 120.454 119.950 0.069 0.000 2.670 355 F HA 0.041 4.568 4.527 -0.000 0.000 0.332 355 F C -0.200 175.729 175.800 0.215 0.000 1.179 355 F CA -0.969 57.089 58.000 0.097 0.000 1.076 355 F CB 1.601 40.652 39.000 0.085 0.000 1.322 355 F HN 0.447 nan 8.300 nan 0.000 0.515 356 S N 4.028 119.933 115.700 0.341 0.000 2.488 356 S HA 0.160 4.630 4.470 -0.000 0.000 0.278 356 S C -1.659 172.889 174.600 -0.086 0.000 1.259 356 S CA -1.089 57.176 58.200 0.108 0.000 1.061 356 S CB 0.981 64.211 63.200 0.050 0.000 0.910 356 S HN 0.492 nan 8.310 nan 0.000 0.491 357 P HA -0.112 nan 4.420 nan 0.000 0.231 357 P C 0.999 178.073 177.300 -0.378 0.000 1.154 357 P CA 0.847 63.446 63.100 -0.835 0.000 0.762 357 P CB -0.307 30.352 31.700 -1.736 0.000 0.790 358 S N -0.901 114.659 115.700 -0.233 0.000 2.441 358 S HA 0.227 4.697 4.470 -0.000 0.000 0.224 358 S C 1.346 175.872 174.600 -0.123 0.000 1.043 358 S CA 0.098 58.208 58.200 -0.150 0.000 0.948 358 S CB -0.911 62.228 63.200 -0.102 0.000 0.810 358 S HN 0.232 nan 8.310 nan 0.000 0.504 359 A N 2.525 125.269 122.820 -0.126 0.000 2.520 359 A HA 0.286 4.606 4.320 -0.000 0.000 0.235 359 A C 0.497 177.975 177.584 -0.177 0.000 1.065 359 A CA -0.053 51.895 52.037 -0.149 0.000 0.764 359 A CB -0.006 18.865 19.000 -0.214 0.000 1.002 359 A HN 0.513 nan 8.150 nan 0.000 0.502 360 K N 0.738 121.052 120.400 -0.143 0.000 2.273 360 K HA 0.268 4.588 4.320 -0.000 0.000 0.240 360 K C 1.174 177.681 176.600 -0.154 0.000 1.056 360 K CA -0.533 55.680 56.287 -0.123 0.000 0.910 360 K CB 0.293 32.742 32.500 -0.084 0.000 1.196 360 K HN 0.664 nan 8.250 nan 0.000 0.509 361 L N 0.990 122.146 121.223 -0.110 0.000 1.993 361 L HA -0.203 4.137 4.340 -0.000 0.000 0.206 361 L C 2.433 179.269 176.870 -0.058 0.000 1.074 361 L CA 1.225 56.012 54.840 -0.089 0.000 0.746 361 L CB -0.261 41.749 42.059 -0.082 0.000 0.896 361 L HN 0.577 nan 8.230 nan 0.000 0.435 362 Q N 0.305 120.072 119.800 -0.055 0.000 2.268 362 Q HA -0.304 4.036 4.340 -0.000 0.000 0.213 362 Q C 1.586 177.607 176.000 0.035 0.000 0.995 362 Q CA 1.969 57.766 55.803 -0.010 0.000 0.901 362 Q CB -0.374 28.351 28.738 -0.023 0.000 0.921 362 Q HN 0.650 nan 8.270 nan 0.000 0.421 363 E N -0.526 119.674 120.200 -0.001 0.000 2.463 363 E HA 0.002 4.352 4.350 -0.000 0.000 0.191 363 E C 1.143 177.799 176.600 0.094 0.000 1.083 363 E CA 0.016 56.442 56.400 0.044 0.000 0.872 363 E CB 0.452 30.149 29.700 -0.005 0.000 0.966 363 E HN 0.082 nan 8.360 nan 0.000 0.491 364 V N -0.272 119.688 119.914 0.076 0.000 3.480 364 V HA -0.023 4.097 4.120 -0.000 0.000 0.263 364 V C 1.368 177.662 176.094 0.333 0.000 1.442 364 V CA 0.080 62.510 62.300 0.216 0.000 1.053 364 V CB 0.508 32.305 31.823 -0.044 0.000 0.846 364 V HN 0.161 nan 8.190 nan 0.000 0.440 365 L N 0.672 122.026 121.223 0.218 0.000 2.049 365 L HA 0.030 4.370 4.340 -0.000 0.000 0.203 365 L C 1.992 178.989 176.870 0.211 0.000 1.074 365 L CA 2.094 57.068 54.840 0.223 0.000 0.749 365 L CB -0.461 41.714 42.059 0.193 0.000 0.907 365 L HN 0.249 nan 8.230 nan 0.000 0.439 366 D N -1.392 119.121 120.400 0.188 0.000 2.309 366 D HA -0.231 4.409 4.640 -0.000 0.000 0.212 366 D C 1.819 178.236 176.300 0.194 0.000 0.968 366 D CA 1.053 55.150 54.000 0.160 0.000 0.882 366 D CB -0.121 40.760 40.800 0.135 0.000 0.918 366 D HN 0.510 nan 8.370 nan 0.000 0.503 367 Y N 1.407 121.797 120.300 0.151 0.000 2.314 367 Y HA -0.061 4.489 4.550 -0.000 0.000 0.293 367 Y C 1.915 177.887 175.900 0.120 0.000 1.129 367 Y CA 1.021 59.208 58.100 0.145 0.000 1.201 367 Y CB -0.286 38.306 38.460 0.221 0.000 0.999 367 Y HN -0.108 nan 8.280 nan 0.000 0.541 368 L N -1.205 119.980 121.223 -0.064 0.000 2.209 368 L HA -0.067 4.273 4.340 -0.000 0.000 0.207 368 L C 2.152 178.984 176.870 -0.062 0.000 1.094 368 L CA 1.357 56.113 54.840 -0.140 0.000 0.790 368 L CB -0.724 41.389 42.059 0.090 0.000 0.932 368 L HN 0.085 nan 8.230 nan 0.000 0.447 369 T N -0.424 114.140 114.554 0.017 0.000 2.942 369 T HA -0.006 4.344 4.350 -0.000 0.000 0.265 369 T C 1.534 176.242 174.700 0.014 0.000 1.062 369 T CA 0.947 63.064 62.100 0.028 0.000 1.139 369 T CB 0.002 68.908 68.868 0.064 0.000 0.883 369 T HN 0.297 nan 8.240 nan 0.000 0.468 370 N N 0.410 119.118 118.700 0.014 0.000 2.273 370 N HA 0.101 4.841 4.740 -0.000 0.000 0.192 370 N C 0.571 176.082 175.510 0.001 0.000 1.132 370 N CA 0.051 53.114 53.050 0.021 0.000 0.887 370 N CB 0.349 38.869 38.487 0.055 0.000 1.048 370 N HN 0.185 nan 8.380 nan 0.000 0.490 371 S N 1.017 116.684 115.700 -0.054 0.000 2.498 371 S HA 0.262 4.732 4.470 -0.000 0.000 0.281 371 S C 1.224 175.791 174.600 -0.055 0.000 1.265 371 S CA -0.389 57.773 58.200 -0.063 0.000 1.071 371 S CB 0.771 63.850 63.200 -0.203 0.000 0.894 371 S HN 0.314 nan 8.310 nan 0.000 0.491 372 A N 4.168 126.981 122.820 -0.012 0.000 2.248 372 A HA 0.073 4.393 4.320 -0.000 0.000 0.210 372 A C 2.088 179.672 177.584 -0.000 0.000 1.174 372 A CA 1.200 53.239 52.037 0.002 0.000 0.750 372 A CB -0.578 18.433 19.000 0.019 0.000 0.780 372 A HN 0.890 nan 8.150 nan 0.000 0.478 373 S N -1.156 114.530 115.700 -0.023 0.000 2.511 373 S HA 0.208 4.678 4.470 -0.000 0.000 0.214 373 S C 0.895 175.481 174.600 -0.024 0.000 0.997 373 S CA 0.680 58.871 58.200 -0.014 0.000 0.908 373 S CB -0.124 63.068 63.200 -0.014 0.000 0.803 373 S HN 0.499 nan 8.310 nan 0.000 0.504 374 L N 0.779 121.965 121.223 -0.061 0.000 3.360 374 L HA 0.404 4.744 4.340 -0.000 0.000 0.303 374 L C 0.441 177.285 176.870 -0.044 0.000 1.218 374 L CA -0.366 54.439 54.840 -0.059 0.000 1.059 374 L CB -1.236 40.732 42.059 -0.152 0.000 1.468 374 L HN 0.262 nan 8.230 nan 0.000 0.614 375 Q N 1.771 121.548 119.800 -0.039 0.000 3.876 375 Q HA -0.079 4.261 4.340 -0.000 0.000 0.376 375 Q C -0.502 175.495 176.000 -0.005 0.000 1.135 375 Q CA 0.954 56.745 55.803 -0.021 0.000 1.323 375 Q CB -0.784 27.952 28.738 -0.004 0.000 1.018 375 Q HN 0.522 nan 8.270 nan 0.000 0.456 376 M N 2.291 121.889 119.600 -0.004 0.000 2.367 376 M HA 0.214 4.694 4.480 -0.000 0.000 0.339 376 M C 0.777 177.084 176.300 0.013 0.000 1.177 376 M CA -0.777 54.528 55.300 0.009 0.000 1.068 376 M CB 1.544 34.154 32.600 0.016 0.000 1.602 376 M HN 0.335 nan 8.290 nan 0.000 0.457 377 K N 0.985 121.392 120.400 0.013 0.000 2.167 377 K HA 0.079 4.399 4.320 -0.000 0.000 0.203 377 K C 0.228 176.837 176.600 0.015 0.000 1.052 377 K CA 0.877 57.172 56.287 0.012 0.000 0.956 377 K CB 0.385 32.889 32.500 0.007 0.000 0.735 377 K HN 0.581 nan 8.250 nan 0.000 0.451 378 S N 1.030 116.737 115.700 0.011 0.000 2.769 378 S HA 0.299 4.769 4.470 -0.000 0.000 0.150 378 S C -2.982 171.608 174.600 -0.017 0.000 1.034 378 S CA -1.202 56.998 58.200 0.000 0.000 1.096 378 S CB 0.409 63.601 63.200 -0.012 0.000 1.567 378 S HN 0.069 nan 8.310 nan 0.000 0.435 379 P HA 0.611 nan 4.420 nan 0.000 0.274 379 P C -0.877 176.389 177.300 -0.057 0.000 1.256 379 P CA -0.494 62.602 63.100 -0.007 0.000 0.795 379 P CB 1.052 32.777 31.700 0.041 0.000 1.038 380 A N 1.463 124.248 122.820 -0.058 0.000 2.611 380 A HA 0.526 4.846 4.320 -0.000 0.000 0.282 380 A C -0.411 177.159 177.584 -0.025 0.000 1.114 380 A CA -0.490 51.485 52.037 -0.103 0.000 0.800 380 A CB -0.269 18.641 19.000 -0.150 0.000 1.325 380 A HN 0.280 nan 8.150 nan 0.000 0.411 381 I N 1.734 122.332 120.570 0.048 0.000 2.764 381 I HA 0.663 4.833 4.170 -0.000 0.000 0.294 381 I C 0.911 177.061 176.117 0.054 0.000 1.045 381 I CA 0.412 61.748 61.300 0.059 0.000 1.340 381 I CB 1.541 39.615 38.000 0.123 0.000 1.436 381 I HN 0.710 nan 8.210 nan 0.000 0.567 382 T N 0.874 115.449 114.554 0.035 0.000 2.885 382 T HA 0.889 5.239 4.350 -0.000 0.000 0.322 382 T C -0.921 173.796 174.700 0.029 0.000 1.387 382 T CA -0.763 61.357 62.100 0.033 0.000 1.041 382 T CB 1.415 70.290 68.868 0.012 0.000 1.287 382 T HN 0.941 nan 8.240 nan 0.000 0.491 383 A N 1.050 123.891 122.820 0.034 0.000 2.564 383 A HA 0.911 5.231 4.320 -0.000 0.000 0.288 383 A C -0.416 177.183 177.584 0.025 0.000 1.164 383 A CA -1.048 51.008 52.037 0.031 0.000 0.712 383 A CB 1.315 20.342 19.000 0.045 0.000 1.303 383 A HN 0.983 nan 8.150 nan 0.000 0.418 384 T N 1.862 116.429 114.554 0.022 0.000 2.743 384 T HA 0.526 4.876 4.350 -0.000 0.000 0.292 384 T C 0.726 175.439 174.700 0.021 0.000 0.972 384 T CA -0.238 61.872 62.100 0.018 0.000 0.967 384 T CB 0.308 69.183 68.868 0.012 0.000 0.926 384 T HN 0.453 nan 8.240 nan 0.000 0.459 385 L N 1.673 122.909 121.223 0.022 0.000 2.924 385 L HA 0.405 4.745 4.340 -0.000 0.000 0.172 385 L C 1.992 178.874 176.870 0.020 0.000 1.292 385 L CA -0.222 54.632 54.840 0.024 0.000 0.870 385 L CB -0.644 41.432 42.059 0.028 0.000 1.305 385 L HN 0.631 nan 8.230 nan 0.000 0.535 386 E N 1.081 121.292 120.200 0.018 0.000 2.232 386 E HA 0.399 4.749 4.350 -0.000 0.000 0.296 386 E C 1.020 177.628 176.600 0.012 0.000 1.372 386 E CA 0.125 56.534 56.400 0.015 0.000 1.527 386 E CB -0.856 28.853 29.700 0.014 0.000 1.424 386 E HN 0.587 nan 8.360 nan 0.000 0.485 387 G N 1.329 110.136 108.800 0.012 0.000 2.233 387 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.270 387 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.270 387 G C 0.329 175.235 174.900 0.010 0.000 1.011 387 G CA 1.002 46.108 45.100 0.010 0.000 0.762 387 G HN 1.167 nan 8.290 nan 0.000 0.511 388 K N -1.058 119.348 120.400 0.011 0.000 2.543 388 K HA 0.384 4.704 4.320 -0.000 0.000 0.255 388 K C -0.882 175.726 176.600 0.013 0.000 0.934 388 K CA -1.177 55.117 56.287 0.011 0.000 0.810 388 K CB 1.138 33.645 32.500 0.011 0.000 1.315 388 K HN -0.040 nan 8.250 nan 0.000 0.433 389 N N 2.803 121.510 118.700 0.011 0.000 2.406 389 N HA 0.040 4.780 4.740 -0.000 0.000 0.265 389 N C -0.676 174.843 175.510 0.016 0.000 1.203 389 N CA -0.079 52.978 53.050 0.013 0.000 0.945 389 N CB 0.738 39.230 38.487 0.008 0.000 1.165 389 N HN 0.415 nan 8.380 nan 0.000 0.485 390 R N 0.984 121.497 120.500 0.021 0.000 2.460 390 R HA 0.238 4.578 4.340 -0.000 0.000 0.303 390 R C -0.518 175.802 176.300 0.033 0.000 0.968 390 R CA -0.400 55.716 56.100 0.026 0.000 0.889 390 R CB 0.671 30.988 30.300 0.028 0.000 1.123 390 R HN 0.236 nan 8.270 nan 0.000 0.455 391 T N 6.740 121.316 114.554 0.035 0.000 3.185 391 T HA 0.134 4.484 4.350 -0.000 0.000 0.287 391 T C 1.527 176.273 174.700 0.078 0.000 1.051 391 T CA -0.109 62.018 62.100 0.045 0.000 1.051 391 T CB -0.237 68.650 68.868 0.032 0.000 1.034 391 T HN 0.501 nan 8.240 nan 0.000 0.685 392 L N 1.708 122.982 121.223 0.086 0.000 2.034 392 L HA -0.119 4.221 4.340 -0.000 0.000 0.217 392 L C 0.587 177.579 176.870 0.204 0.000 1.077 392 L CA 1.483 56.391 54.840 0.112 0.000 0.769 392 L CB -0.282 41.841 42.059 0.106 0.000 0.890 392 L HN 0.564 nan 8.230 nan 0.000 0.435 393 Y N -0.960 119.353 120.300 0.022 0.000 2.357 393 Y HA 0.544 5.094 4.550 -0.000 0.000 0.319 393 Y C -1.343 174.570 175.900 0.021 0.000 1.225 393 Y CA -1.718 56.395 58.100 0.022 0.000 1.095 393 Y CB 1.047 39.523 38.460 0.027 0.000 1.302 393 Y HN -0.182 nan 8.280 nan 0.000 0.429 394 L N 4.325 125.353 121.223 -0.325 0.000 2.333 394 L HA 0.622 4.962 4.340 -0.000 0.000 0.263 394 L C 0.030 176.527 176.870 -0.621 0.000 1.014 394 L CA -0.094 54.528 54.840 -0.364 0.000 0.820 394 L CB 2.390 44.363 42.059 -0.143 0.000 1.352 394 L HN 0.798 nan 8.230 nan 0.000 0.421 395 Q N -0.434 119.114 119.800 -0.419 0.000 2.126 395 Q HA 0.164 4.504 4.340 -0.000 0.000 0.233 395 Q C 0.846 176.759 176.000 -0.144 0.000 0.788 395 Q CA 0.348 55.950 55.803 -0.335 0.000 0.968 395 Q CB 0.728 29.265 28.738 -0.336 0.000 1.163 395 Q HN 0.915 nan 8.270 nan 0.000 0.471 396 S N 0.348 115.981 115.700 -0.112 0.000 2.436 396 S HA -0.092 4.378 4.470 -0.000 0.000 0.215 396 S C 0.742 175.318 174.600 -0.040 0.000 1.047 396 S CA 1.191 59.355 58.200 -0.060 0.000 1.086 396 S CB -0.442 62.730 63.200 -0.046 0.000 1.072 396 S HN 0.399 nan 8.310 nan 0.000 0.411 397 V N 2.263 122.156 119.914 -0.034 0.000 2.439 397 V HA 0.243 4.363 4.120 -0.000 0.000 0.271 397 V C 1.544 177.632 176.094 -0.011 0.000 1.040 397 V CA -0.039 62.251 62.300 -0.018 0.000 1.002 397 V CB -0.107 31.709 31.823 -0.013 0.000 1.000 397 V HN 0.684 nan 8.190 nan 0.000 0.477 398 T N 2.175 116.728 114.554 -0.001 0.000 2.718 398 T HA -0.338 4.012 4.350 -0.000 0.000 0.266 398 T C 1.909 176.621 174.700 0.020 0.000 1.033 398 T CA 2.210 64.317 62.100 0.013 0.000 1.151 398 T CB -0.919 67.958 68.868 0.015 0.000 0.853 398 T HN 1.154 nan 8.240 nan 0.000 0.466 399 S N 2.432 118.141 115.700 0.014 0.000 2.359 399 S HA -0.085 4.385 4.470 -0.000 0.000 0.224 399 S C 2.097 176.714 174.600 0.027 0.000 1.035 399 S CA 1.471 59.682 58.200 0.018 0.000 1.018 399 S CB -0.927 62.280 63.200 0.011 0.000 0.876 399 S HN 0.649 nan 8.310 nan 0.000 0.448 400 I N 2.982 123.564 120.570 0.021 0.000 2.617 400 I HA -0.127 4.043 4.170 -0.000 0.000 0.256 400 I C 2.864 179.025 176.117 0.073 0.000 1.167 400 I CA 1.361 62.681 61.300 0.033 0.000 1.469 400 I CB -0.640 37.366 38.000 0.010 0.000 1.098 400 I HN 0.578 nan 8.210 nan 0.000 0.436 401 E N 1.932 122.176 120.200 0.072 0.000 2.085 401 E HA -0.278 4.072 4.350 -0.000 0.000 0.194 401 E C 1.670 178.401 176.600 0.219 0.000 0.994 401 E CA 1.554 58.068 56.400 0.190 0.000 0.801 401 E CB -0.403 29.384 29.700 0.145 0.000 0.743 401 E HN 0.551 nan 8.360 nan 0.000 0.453 402 E N 0.529 120.800 120.200 0.118 0.000 2.208 402 E HA -0.066 4.284 4.350 -0.000 0.000 0.193 402 E C 2.167 178.809 176.600 0.068 0.000 0.988 402 E CA 0.590 57.038 56.400 0.081 0.000 0.828 402 E CB -0.008 29.724 29.700 0.054 0.000 0.763 402 E HN 0.277 nan 8.360 nan 0.000 0.478 403 R N 0.153 120.697 120.500 0.074 0.000 2.236 403 R HA -0.021 4.319 4.340 -0.000 0.000 0.208 403 R C 1.885 178.228 176.300 0.073 0.000 1.036 403 R CA 1.549 57.685 56.100 0.059 0.000 1.001 403 R CB 0.108 30.439 30.300 0.050 0.000 0.896 403 R HN 0.204 nan 8.270 nan 0.000 0.464 404 T N -3.292 111.336 114.554 0.123 0.000 2.975 404 T HA 0.136 4.486 4.350 -0.000 0.000 0.257 404 T C 1.626 176.352 174.700 0.044 0.000 1.003 404 T CA -0.458 61.729 62.100 0.145 0.000 0.932 404 T CB 0.253 69.306 68.868 0.309 0.000 1.087 404 T HN 0.021 nan 8.240 nan 0.000 0.512 405 R N 1.972 122.493 120.500 0.036 0.000 2.139 405 R HA -0.036 4.304 4.340 -0.000 0.000 0.243 405 R C -0.914 175.303 176.300 -0.138 0.000 1.145 405 R CA 1.545 57.575 56.100 -0.117 0.000 0.976 405 R CB -1.073 29.224 30.300 -0.006 0.000 0.866 405 R HN 0.346 nan 8.270 nan 0.000 0.449 406 P HA -0.078 nan 4.420 nan 0.000 0.216 406 P C 0.032 177.286 177.300 -0.077 0.000 1.153 406 P CA 1.399 64.464 63.100 -0.058 0.000 0.848 406 P CB -0.142 31.543 31.700 -0.025 0.000 0.787 407 N N -0.665 117.992 118.700 -0.073 0.000 2.635 407 N HA -0.082 4.658 4.740 -0.000 0.000 0.191 407 N C 1.140 176.583 175.510 -0.113 0.000 1.155 407 N CA 0.065 53.075 53.050 -0.068 0.000 0.927 407 N CB -0.436 38.034 38.487 -0.028 0.000 0.976 407 N HN 0.167 nan 8.380 nan 0.000 0.448 408 L N -0.229 120.881 121.223 -0.188 0.000 2.599 408 L HA 0.050 4.390 4.340 -0.000 0.000 0.230 408 L C 1.237 178.028 176.870 -0.131 0.000 1.141 408 L CA 0.343 55.052 54.840 -0.219 0.000 0.877 408 L CB 0.240 42.083 42.059 -0.360 0.000 1.009 408 L HN 0.091 nan 8.230 nan 0.000 0.447 409 S N -1.766 113.875 115.700 -0.098 0.000 2.539 409 S HA 0.124 4.594 4.470 -0.000 0.000 0.226 409 S C 0.913 175.475 174.600 -0.063 0.000 1.054 409 S CA -0.301 57.856 58.200 -0.072 0.000 0.910 409 S CB 0.571 63.736 63.200 -0.058 0.000 0.818 409 S HN 0.241 nan 8.310 nan 0.000 0.490 410 K N 1.770 122.134 120.400 -0.060 0.000 2.213 410 K HA 0.185 4.505 4.320 -0.000 0.000 0.243 410 K C 0.614 177.179 176.600 -0.058 0.000 1.085 410 K CA 0.517 56.775 56.287 -0.049 0.000 0.818 410 K CB 0.069 32.548 32.500 -0.036 0.000 1.106 410 K HN 0.372 nan 8.250 nan 0.000 0.520 411 T N -3.219 111.304 114.554 -0.053 0.000 2.831 411 T HA 0.307 4.657 4.350 -0.000 0.000 0.287 411 T C 1.149 175.825 174.700 -0.040 0.000 1.070 411 T CA -0.914 61.144 62.100 -0.069 0.000 1.010 411 T CB 0.510 69.323 68.868 -0.090 0.000 1.264 411 T HN 0.371 nan 8.240 nan 0.000 0.532 412 L N 0.252 121.448 121.223 -0.045 0.000 2.141 412 L HA 0.102 4.442 4.340 -0.000 0.000 0.209 412 L C 3.263 180.171 176.870 0.064 0.000 1.094 412 L CA 1.816 56.697 54.840 0.068 0.000 0.763 412 L CB -0.827 41.341 42.059 0.182 0.000 0.908 412 L HN 0.955 nan 8.230 nan 0.000 0.437 413 K N -0.223 120.135 120.400 -0.070 0.000 2.305 413 K HA -0.080 4.240 4.320 -0.000 0.000 0.199 413 K C 1.840 178.431 176.600 -0.015 0.000 1.047 413 K CA 1.087 57.346 56.287 -0.047 0.000 0.976 413 K CB -0.318 32.109 32.500 -0.122 0.000 0.765 413 K HN 0.273 nan 8.250 nan 0.000 0.474 414 E N 0.341 120.526 120.200 -0.025 0.000 2.047 414 E HA 0.011 4.361 4.350 -0.000 0.000 0.191 414 E C 1.587 178.189 176.600 0.003 0.000 0.987 414 E CA 1.164 57.553 56.400 -0.017 0.000 0.799 414 E CB -0.110 29.573 29.700 -0.029 0.000 0.752 414 E HN 0.483 nan 8.360 nan 0.000 0.449 415 L N -1.424 119.809 121.223 0.017 0.000 2.592 415 L HA 0.282 4.622 4.340 -0.000 0.000 0.227 415 L C 1.183 178.075 176.870 0.038 0.000 1.127 415 L CA 0.443 55.298 54.840 0.026 0.000 0.884 415 L CB 0.466 42.543 42.059 0.030 0.000 1.065 415 L HN 0.466 nan 8.230 nan 0.000 0.457 416 G N -0.162 108.667 108.800 0.048 0.000 2.168 416 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.197 416 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.197 416 G C -0.065 174.883 174.900 0.081 0.000 0.997 416 G CA -0.614 44.519 45.100 0.055 0.000 0.658 416 G HN 0.087 nan 8.290 nan 0.000 0.513 417 L N 1.705 122.996 121.223 0.114 0.000 2.454 417 L HA 0.535 4.875 4.340 -0.000 0.000 0.284 417 L C 0.823 177.850 176.870 0.260 0.000 1.139 417 L CA -0.032 54.902 54.840 0.156 0.000 0.911 417 L CB 1.229 43.397 42.059 0.182 0.000 1.262 417 L HN 0.097 nan 8.230 nan 0.000 0.453 418 V N 4.425 124.424 119.914 0.142 0.000 2.439 418 V HA 0.277 4.397 4.120 -0.000 0.000 0.282 418 V C -0.126 175.872 176.094 -0.159 0.000 1.039 418 V CA -0.904 61.484 62.300 0.146 0.000 0.913 418 V CB 1.424 33.300 31.823 0.088 0.000 0.983 418 V HN 0.835 nan 8.190 nan 0.000 0.460 419 D N 4.942 124.969 120.400 -0.621 0.000 2.472 419 D HA 0.308 4.948 4.640 -0.000 0.000 0.237 419 D C 0.817 176.894 176.300 -0.373 0.000 1.141 419 D CA 0.638 54.139 54.000 -0.831 0.000 0.875 419 D CB 1.262 41.290 40.800 -1.285 0.000 1.192 419 D HN 1.171 nan 8.370 nan 0.000 0.450 420 G N 2.103 110.730 108.800 -0.289 0.000 2.336 420 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.194 420 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.194 420 G C 0.112 174.962 174.900 -0.083 0.000 0.999 420 G CA 0.134 45.130 45.100 -0.173 0.000 0.669 420 G HN 0.899 nan 8.290 nan 0.000 0.482 421 Q N 1.250 121.004 119.800 -0.077 0.000 2.259 421 Q HA 0.692 5.032 4.340 -0.000 0.000 0.249 421 Q C 0.058 176.068 176.000 0.017 0.000 0.914 421 Q CA -0.510 55.280 55.803 -0.023 0.000 0.904 421 Q CB 1.390 30.119 28.738 -0.015 0.000 1.213 421 Q HN 0.506 nan 8.270 nan 0.000 0.428 422 E N 1.619 121.839 120.200 0.032 0.000 2.482 422 E HA 0.316 4.666 4.350 -0.000 0.000 0.254 422 E C -0.590 176.050 176.600 0.067 0.000 1.323 422 E CA -0.369 56.068 56.400 0.061 0.000 0.987 422 E CB 0.559 30.279 29.700 0.033 0.000 1.060 422 E HN 0.474 nan 8.360 nan 0.000 0.553 423 L N 0.739 122.000 121.223 0.063 0.000 2.555 423 L HA 0.330 4.670 4.340 -0.000 0.000 0.264 423 L C -0.984 175.820 176.870 -0.109 0.000 0.972 423 L CA -0.767 54.094 54.840 0.035 0.000 0.876 423 L CB 1.728 43.885 42.059 0.163 0.000 1.216 423 L HN 0.502 nan 8.230 nan 0.000 0.415 424 A N 3.683 126.453 122.820 -0.085 0.000 2.396 424 A HA 0.599 4.919 4.320 -0.000 0.000 0.279 424 A C -0.247 177.249 177.584 -0.147 0.000 1.165 424 A CA -0.116 51.843 52.037 -0.129 0.000 0.824 424 A CB 0.429 19.387 19.000 -0.071 0.000 1.100 424 A HN 0.383 nan 8.150 nan 0.000 0.516 425 V N 2.568 122.337 119.914 -0.242 0.000 2.448 425 V HA 0.667 4.787 4.120 -0.000 0.000 0.295 425 V C 0.446 176.457 176.094 -0.139 0.000 1.025 425 V CA -0.115 62.074 62.300 -0.186 0.000 0.859 425 V CB 1.398 33.062 31.823 -0.266 0.000 0.988 425 V HN 1.150 nan 8.190 nan 0.000 0.431 426 A N 3.628 126.399 122.820 -0.082 0.000 2.355 426 A HA 0.910 5.230 4.320 -0.000 0.000 0.324 426 A C -0.987 176.573 177.584 -0.040 0.000 1.117 426 A CA -0.391 51.609 52.037 -0.061 0.000 0.785 426 A CB 1.720 20.692 19.000 -0.046 0.000 1.254 426 A HN 0.751 nan 8.150 nan 0.000 0.453 427 D N 0.018 120.405 120.400 -0.022 0.000 2.599 427 D HA 0.370 5.010 4.640 -0.000 0.000 0.252 427 D C 0.774 177.098 176.300 0.039 0.000 1.232 427 D CA -0.347 53.654 54.000 0.001 0.000 0.819 427 D CB 1.850 42.651 40.800 0.002 0.000 1.401 427 D HN 0.140 nan 8.370 nan 0.000 0.429 428 V N 0.656 120.604 119.914 0.056 0.000 2.427 428 V HA -0.145 3.975 4.120 -0.000 0.000 0.248 428 V C 2.224 178.430 176.094 0.186 0.000 1.051 428 V CA 2.147 64.514 62.300 0.111 0.000 1.048 428 V CB -0.819 31.044 31.823 0.066 0.000 0.666 428 V HN 0.683 nan 8.190 nan 0.000 0.456 429 T N -0.572 114.049 114.554 0.111 0.000 2.685 429 T HA -0.170 4.180 4.350 -0.000 0.000 0.268 429 T C 1.008 175.769 174.700 0.101 0.000 1.034 429 T CA 2.136 64.300 62.100 0.107 0.000 1.149 429 T CB -0.196 68.701 68.868 0.047 0.000 0.860 429 T HN 0.638 nan 8.240 nan 0.000 0.449 430 T N 0.278 114.834 114.554 0.003 0.000 2.933 430 T HA 0.381 4.731 4.350 -0.000 0.000 0.305 430 T C -2.257 172.257 174.700 -0.312 0.000 1.092 430 T CA -1.988 59.984 62.100 -0.213 0.000 1.008 430 T CB 2.334 71.105 68.868 -0.162 0.000 1.102 430 T HN -0.199 nan 8.240 nan 0.000 0.469 431 P HA -0.044 nan 4.420 nan 0.000 0.223 431 P C 0.303 177.457 177.300 -0.244 0.000 1.151 431 P CA 0.702 63.507 63.100 -0.491 0.000 0.787 431 P CB 0.258 31.395 31.700 -0.938 0.000 0.788 432 Q N -0.364 119.295 119.800 -0.236 0.000 2.222 432 Q HA 0.449 4.789 4.340 -0.000 0.000 0.211 432 Q C -0.560 175.375 176.000 -0.108 0.000 1.013 432 Q CA -0.529 55.188 55.803 -0.143 0.000 0.993 432 Q CB -0.053 28.608 28.738 -0.129 0.000 1.151 432 Q HN -0.258 nan 8.270 nan 0.000 0.544 433 T N 1.081 115.581 114.554 -0.090 0.000 2.770 433 T HA 0.283 4.633 4.350 -0.000 0.000 0.297 433 T C -0.846 173.780 174.700 -0.123 0.000 0.997 433 T CA -0.598 61.444 62.100 -0.097 0.000 0.949 433 T CB 1.154 69.976 68.868 -0.076 0.000 0.941 433 T HN 0.430 nan 8.240 nan 0.000 0.457 434 V N 6.800 126.609 119.914 -0.175 0.000 2.488 434 V HA 0.450 4.570 4.120 -0.000 0.000 0.277 434 V C -0.366 175.487 176.094 -0.402 0.000 1.046 434 V CA -0.413 61.748 62.300 -0.233 0.000 0.986 434 V CB 0.109 31.797 31.823 -0.226 0.000 0.989 434 V HN 0.712 nan 8.190 nan 0.000 0.475 435 L N 7.983 129.059 121.223 -0.245 0.000 2.325 435 L HA 0.610 4.950 4.340 -0.000 0.000 0.279 435 L C -0.326 176.563 176.870 0.031 0.000 1.054 435 L CA -0.172 54.559 54.840 -0.182 0.000 0.804 435 L CB 1.418 43.450 42.059 -0.045 0.000 1.200 435 L HN 0.541 nan 8.230 nan 0.000 0.436 436 F N 0.740 120.716 119.950 0.042 0.000 2.782 436 F HA 0.578 5.105 4.527 -0.000 0.000 0.366 436 F C -0.282 175.546 175.800 0.048 0.000 1.171 436 F CA -1.180 56.852 58.000 0.054 0.000 1.064 436 F CB 2.112 41.167 39.000 0.091 0.000 1.449 436 F HN 0.227 nan 8.300 nan 0.000 0.520 437 K N 1.487 122.053 120.400 0.276 0.000 2.615 437 K HA 0.387 4.707 4.320 -0.000 0.000 0.249 437 K C -1.703 175.023 176.600 0.210 0.000 0.977 437 K CA -0.240 56.160 56.287 0.188 0.000 0.833 437 K CB 1.264 33.872 32.500 0.180 0.000 1.208 437 K HN 0.525 nan 8.250 nan 0.000 0.443 438 L N 4.070 125.362 121.223 0.114 0.000 2.453 438 L HA 0.216 4.556 4.340 -0.000 0.000 0.272 438 L C -0.498 176.361 176.870 -0.019 0.000 1.182 438 L CA 0.142 54.997 54.840 0.025 0.000 0.858 438 L CB 0.287 42.245 42.059 -0.170 0.000 1.120 438 L HN 0.732 nan 8.230 nan 0.000 0.474 439 H N 3.044 122.018 119.070 -0.159 0.000 2.840 439 H HA 0.376 4.932 4.556 -0.000 0.000 0.340 439 H C -1.026 174.333 175.328 0.052 0.000 1.004 439 H CA -0.370 55.611 56.048 -0.112 0.000 1.288 439 H CB 1.169 30.899 29.762 -0.053 0.000 1.607 439 H HN 0.297 nan 8.280 nan 0.000 0.522 440 F N 2.939 122.934 119.950 0.076 0.000 2.411 440 F HA 0.367 4.894 4.527 -0.000 0.000 0.350 440 F C 0.845 176.680 175.800 0.059 0.000 1.114 440 F CA -0.499 57.543 58.000 0.070 0.000 1.135 440 F CB 1.250 40.268 39.000 0.030 0.000 1.120 440 F HN 0.463 nan 8.300 nan 0.000 0.495 441 T N 0.000 114.716 114.554 0.270 0.000 3.816 441 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 441 T CA 0.000 62.187 62.100 0.146 0.000 1.349 441 T CB 0.000 68.934 68.868 0.111 0.000 0.612 441 T HN 0.000 nan 8.240 nan 0.000 0.658