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 1x31_1_B DATA FIRST_RESID 1 DATA SEQUENCE ADLLPEHPEF LWNNPEPKKS YDVVIVGGGG HGLATAYYLA KNHGITNVAV DATA SEQUENCE LEKGWLAGGN MARNTTIIRS NYLWDESAGI YEKSLKLWEE LPEELEYDFL DATA SEQUENCE FSQRGVLNLA HTLGDVRESI RRVEANKFNG VDAEWLTPEQ VKEVCPIINT DATA SEQUENCE GDNIRYPVMG ATYQPRAGIA KHDHVAWAFA RKANEMGVDI IQNCEVTGFL DATA SEQUENCE KDGEKVTGVK TTRGTILAGK VALAGAGHSS VLAELAGFEL PIQSHPLQAL DATA SEQUENCE VSELFEPVHP TVVMSNHIHV YVSQAHKGEL VMGAGIDSYN GYGQRGAFHV DATA SEQUENCE IEEQMAAAVE LFPIFARAHV LRTWGGIVDT TMDASPIISK TPIQNLYVNC DATA SEQUENCE GWGTGGFKGT PGAGYTLAHT IAHDEPHKLN APFALERFET GHLIDEHGAA DATA SEQUENCE AV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.568 177.584 -0.027 0.000 1.274 1 A CA 0.000 52.025 52.037 -0.020 0.000 0.836 1 A CB 0.000 18.990 19.000 -0.016 0.000 0.831 2 D N -0.624 119.752 120.400 -0.040 0.000 2.819 2 D HA 0.598 5.238 4.640 -0.000 0.000 0.232 2 D C -0.264 176.008 176.300 -0.047 0.000 1.160 2 D CA -0.314 53.657 54.000 -0.048 0.000 0.858 2 D CB 1.696 42.451 40.800 -0.075 0.000 1.610 2 D HN 0.346 nan 8.370 nan 0.000 0.481 3 L N 1.373 122.572 121.223 -0.040 0.000 2.818 3 L HA 0.335 4.675 4.340 -0.000 0.000 0.243 3 L C -0.201 176.641 176.870 -0.047 0.000 1.185 3 L CA -0.051 54.768 54.840 -0.036 0.000 0.988 3 L CB -0.103 41.942 42.059 -0.023 0.000 1.292 3 L HN 0.184 nan 8.230 nan 0.000 0.519 4 L N 1.357 122.541 121.223 -0.064 0.000 2.418 4 L HA 0.356 4.696 4.340 -0.000 0.000 0.265 4 L C -1.756 175.042 176.870 -0.120 0.000 1.143 4 L CA -1.822 52.969 54.840 -0.081 0.000 0.809 4 L CB 0.389 42.398 42.059 -0.082 0.000 1.124 4 L HN -0.090 nan 8.230 nan 0.000 0.456 5 P HA 0.098 nan 4.420 nan 0.000 0.272 5 P C -0.620 176.450 177.300 -0.383 0.000 1.223 5 P CA -0.191 62.773 63.100 -0.226 0.000 0.784 5 P CB 1.169 32.732 31.700 -0.228 0.000 0.923 6 E N -0.409 119.599 120.200 -0.319 0.000 2.399 6 E HA 0.056 4.406 4.350 -0.000 0.000 0.205 6 E C 0.090 176.352 176.600 -0.563 0.000 0.906 6 E CA 0.239 56.385 56.400 -0.424 0.000 0.998 6 E CB 0.263 29.786 29.700 -0.296 0.000 1.002 6 E HN 0.549 nan 8.360 nan 0.000 0.501 7 H N 1.074 120.081 119.070 -0.106 0.000 2.488 7 H HA 0.271 4.827 4.556 -0.000 0.000 0.237 7 H C -2.423 172.873 175.328 -0.054 0.000 1.395 7 H CA -1.790 54.280 56.048 0.037 0.000 1.491 7 H CB 0.547 30.359 29.762 0.084 0.000 1.567 7 H HN 0.041 nan 8.280 nan 0.000 0.508 8 P HA -0.050 nan 4.420 nan 0.000 0.265 8 P C 1.175 178.476 177.300 0.001 0.000 1.187 8 P CA 0.284 63.357 63.100 -0.046 0.000 0.766 8 P CB 1.427 33.099 31.700 -0.046 0.000 0.820 9 E N 1.022 121.237 120.200 0.025 0.000 2.347 9 E HA -0.049 4.301 4.350 -0.000 0.000 0.196 9 E C -0.316 176.335 176.600 0.084 0.000 1.008 9 E CA 0.327 56.748 56.400 0.035 0.000 0.852 9 E CB 0.053 29.777 29.700 0.041 0.000 0.783 9 E HN 0.360 nan 8.360 nan 0.000 0.505 10 F N -0.325 119.575 119.950 -0.083 0.000 2.574 10 F HA 0.289 4.816 4.527 -0.000 0.000 0.313 10 F C -0.323 175.412 175.800 -0.108 0.000 1.130 10 F CA -0.789 57.146 58.000 -0.108 0.000 0.936 10 F CB 1.187 40.154 39.000 -0.055 0.000 1.219 10 F HN -0.239 nan 8.300 nan 0.000 0.445 11 L N 3.004 123.594 121.223 -1.055 0.000 2.519 11 L HA 0.354 4.694 4.340 -0.000 0.000 0.194 11 L C -0.983 175.467 176.870 -0.700 0.000 1.072 11 L CA 0.046 54.424 54.840 -0.770 0.000 0.845 11 L CB 0.390 41.802 42.059 -1.079 0.000 1.138 11 L HN 0.690 nan 8.230 nan 0.000 0.487 12 W N -1.702 119.031 121.300 -0.945 0.000 2.989 12 W HA 0.440 5.100 4.660 -0.000 0.000 0.344 12 W C -1.501 174.835 176.519 -0.305 0.000 1.233 12 W CA -1.107 55.934 57.345 -0.507 0.000 1.187 12 W CB 0.104 29.446 29.460 -0.197 0.000 1.443 12 W HN -0.298 nan 8.180 nan 0.000 0.573 13 N N 1.030 119.953 118.700 0.371 0.000 2.489 13 N HA 0.325 5.065 4.740 -0.000 0.000 0.284 13 N C -1.179 174.524 175.510 0.321 0.000 1.158 13 N CA -0.661 52.601 53.050 0.352 0.000 0.965 13 N CB 1.315 39.997 38.487 0.326 0.000 1.195 13 N HN 0.553 nan 8.380 nan 0.000 0.506 14 N N 1.037 119.881 118.700 0.240 0.000 3.012 14 N HA 0.243 4.982 4.740 -0.000 0.000 0.270 14 N C -2.287 173.297 175.510 0.123 0.000 1.469 14 N CA -0.857 52.300 53.050 0.179 0.000 0.928 14 N CB 0.949 39.541 38.487 0.174 0.000 1.219 14 N HN 0.411 nan 8.380 nan 0.000 0.492 15 P HA 0.254 nan 4.420 nan 0.000 0.278 15 P C -0.455 176.894 177.300 0.082 0.000 1.258 15 P CA -0.336 62.822 63.100 0.098 0.000 0.811 15 P CB 1.237 33.004 31.700 0.112 0.000 1.063 16 E N 1.369 121.614 120.200 0.075 0.000 2.366 16 E HA 0.222 4.572 4.350 -0.000 0.000 0.266 16 E C -1.821 174.834 176.600 0.092 0.000 1.051 16 E CA -1.565 54.875 56.400 0.066 0.000 0.884 16 E CB -0.211 29.520 29.700 0.051 0.000 1.006 16 E HN 0.419 nan 8.360 nan 0.000 0.417 17 P HA 0.087 nan 4.420 nan 0.000 0.271 17 P C -0.348 177.041 177.300 0.148 0.000 1.216 17 P CA 0.034 63.231 63.100 0.161 0.000 0.776 17 P CB 1.010 32.782 31.700 0.121 0.000 0.881 18 K N 1.318 121.835 120.400 0.195 0.000 2.117 18 K HA 0.131 4.450 4.320 -0.000 0.000 0.240 18 K C 1.515 178.078 176.600 -0.063 0.000 1.031 18 K CA -0.624 55.629 56.287 -0.057 0.000 0.909 18 K CB 0.666 32.930 32.500 -0.392 0.000 1.097 18 K HN 0.346 nan 8.250 nan 0.000 0.492 19 K N 0.354 120.688 120.400 -0.111 0.000 2.097 19 K HA -0.112 4.207 4.320 -0.000 0.000 0.206 19 K C 0.215 176.774 176.600 -0.068 0.000 1.049 19 K CA 1.388 57.637 56.287 -0.065 0.000 0.933 19 K CB 0.178 32.639 32.500 -0.063 0.000 0.717 19 K HN 0.630 nan 8.250 nan 0.000 0.442 20 S N -2.441 113.141 115.700 -0.196 0.000 2.615 20 S HA 0.489 4.959 4.470 -0.000 0.000 0.269 20 S C -1.430 172.952 174.600 -0.364 0.000 1.161 20 S CA -1.125 57.001 58.200 -0.123 0.000 0.817 20 S CB 1.033 64.200 63.200 -0.056 0.000 1.131 20 S HN 0.110 nan 8.310 nan 0.000 0.467 21 Y N -0.300 120.011 120.300 0.019 0.000 2.609 21 Y HA 0.413 4.963 4.550 -0.000 0.000 0.336 21 Y C 0.285 176.199 175.900 0.023 0.000 1.129 21 Y CA -0.962 57.151 58.100 0.020 0.000 1.040 21 Y CB 1.355 39.828 38.460 0.022 0.000 1.310 21 Y HN 0.647 nan 8.280 nan 0.000 0.460 22 D N 0.365 120.876 120.400 0.184 0.000 2.183 22 D HA 0.034 4.673 4.640 -0.000 0.000 0.203 22 D C -0.281 176.089 176.300 0.116 0.000 0.969 22 D CA 1.423 55.489 54.000 0.111 0.000 0.842 22 D CB 0.485 41.329 40.800 0.074 0.000 0.957 22 D HN 0.089 nan 8.370 nan 0.000 0.484 23 V N 1.066 121.060 119.914 0.133 0.000 2.623 23 V HA 0.280 4.400 4.120 -0.000 0.000 0.304 23 V C -0.367 175.763 176.094 0.060 0.000 1.054 23 V CA -0.816 61.541 62.300 0.096 0.000 0.882 23 V CB 2.905 34.764 31.823 0.060 0.000 1.002 23 V HN -0.299 nan 8.190 nan 0.000 0.424 24 V N 6.091 126.042 119.914 0.062 0.000 2.409 24 V HA 0.527 4.647 4.120 -0.000 0.000 0.291 24 V C -0.254 175.855 176.094 0.026 0.000 1.020 24 V CA -0.371 61.929 62.300 -0.000 0.000 0.848 24 V CB 1.813 33.659 31.823 0.038 0.000 0.990 24 V HN 0.705 nan 8.190 nan 0.000 0.430 25 I N 5.315 125.871 120.570 -0.022 0.000 2.321 25 I HA 0.364 4.534 4.170 -0.000 0.000 0.291 25 I C -0.318 175.797 176.117 -0.004 0.000 0.998 25 I CA -0.709 60.595 61.300 0.007 0.000 1.227 25 I CB 1.845 39.834 38.000 -0.018 0.000 1.368 25 I HN 0.261 nan 8.210 nan 0.000 0.466 26 V N 5.850 125.792 119.914 0.046 0.000 2.334 26 V HA 0.712 4.832 4.120 -0.000 0.000 0.267 26 V C 0.511 176.613 176.094 0.014 0.000 1.040 26 V CA -0.308 62.012 62.300 0.032 0.000 0.866 26 V CB 0.418 32.305 31.823 0.106 0.000 1.019 26 V HN 1.054 nan 8.190 nan 0.000 0.468 27 G N 3.336 112.111 108.800 -0.040 0.000 3.160 27 G HA2 0.205 4.165 3.960 -0.000 0.000 0.573 27 G HA3 0.205 4.165 3.960 -0.000 0.000 0.573 27 G C 0.073 174.917 174.900 -0.094 0.000 1.286 27 G CA -0.495 44.568 45.100 -0.062 0.000 1.151 27 G HN 1.058 nan 8.290 nan 0.000 0.555 28 G N 0.555 109.275 108.800 -0.134 0.000 3.678 28 G HA2 0.612 4.571 3.960 -0.000 0.000 0.287 28 G HA3 0.612 4.571 3.960 -0.000 0.000 0.287 28 G C 0.902 175.704 174.900 -0.164 0.000 1.280 28 G CA 0.889 45.895 45.100 -0.157 0.000 1.118 28 G HN 1.138 nan 8.290 nan 0.000 0.563 29 G N -0.481 108.230 108.800 -0.148 0.000 2.531 29 G HA2 0.435 4.395 3.960 -0.000 0.000 0.281 29 G HA3 0.435 4.395 3.960 -0.000 0.000 0.281 29 G C 1.297 176.117 174.900 -0.132 0.000 1.382 29 G CA 0.111 45.117 45.100 -0.156 0.000 1.045 29 G HN 0.213 nan 8.290 nan 0.000 0.533 30 G N -1.512 107.217 108.800 -0.117 0.000 2.440 30 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.218 30 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.218 30 G C 1.410 176.229 174.900 -0.136 0.000 1.154 30 G CA 1.188 46.228 45.100 -0.100 0.000 0.767 30 G HN 0.712 nan 8.290 nan 0.000 0.552 31 H N 0.004 118.905 119.070 -0.282 0.000 2.363 31 H HA -0.013 4.543 4.556 -0.000 0.000 0.301 31 H C 2.969 178.163 175.328 -0.223 0.000 1.074 31 H CA 0.309 56.178 56.048 -0.298 0.000 1.354 31 H CB -0.011 29.591 29.762 -0.267 0.000 1.397 31 H HN 0.416 nan 8.280 nan 0.000 0.516 32 G N 1.171 109.951 108.800 -0.034 0.000 2.433 32 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.216 32 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.216 32 G C 1.721 176.561 174.900 -0.101 0.000 1.186 32 G CA 0.585 45.652 45.100 -0.055 0.000 0.779 32 G HN 0.185 nan 8.290 nan 0.000 0.543 33 L N 0.689 121.826 121.223 -0.144 0.000 2.046 33 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 33 L C 3.411 180.136 176.870 -0.242 0.000 1.077 33 L CA 1.030 55.782 54.840 -0.148 0.000 0.747 33 L CB -0.395 41.594 42.059 -0.117 0.000 0.896 33 L HN 0.319 nan 8.230 nan 0.000 0.432 34 A N -0.541 121.963 122.820 -0.528 0.000 1.930 34 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 34 A C 2.360 179.858 177.584 -0.143 0.000 1.175 34 A CA 2.180 53.739 52.037 -0.797 0.000 0.627 34 A CB -0.842 17.549 19.000 -1.015 0.000 0.815 34 A HN 0.368 nan 8.150 nan 0.000 0.443 35 T N 0.378 114.878 114.554 -0.089 0.000 2.746 35 T HA -0.059 4.291 4.350 -0.000 0.000 0.267 35 T C 2.216 176.948 174.700 0.052 0.000 1.039 35 T CA 1.630 63.744 62.100 0.024 0.000 1.142 35 T CB -0.444 68.420 68.868 -0.007 0.000 0.866 35 T HN 0.599 nan 8.240 nan 0.000 0.444 36 A N 0.529 123.357 122.820 0.013 0.000 1.902 36 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 36 A C 2.087 179.703 177.584 0.054 0.000 1.181 36 A CA 1.666 53.719 52.037 0.026 0.000 0.623 36 A CB -1.026 17.978 19.000 0.007 0.000 0.818 36 A HN 0.606 nan 8.150 nan 0.000 0.443 37 Y N -0.810 119.456 120.300 -0.057 0.000 2.114 37 Y HA -0.262 4.288 4.550 -0.000 0.000 0.284 37 Y C 2.066 177.884 175.900 -0.136 0.000 1.143 37 Y CA 2.044 60.090 58.100 -0.090 0.000 1.135 37 Y CB -0.553 37.863 38.460 -0.074 0.000 0.980 37 Y HN 0.361 nan 8.280 nan 0.000 0.499 38 Y N -0.993 119.286 120.300 -0.034 0.000 2.509 38 Y HA -0.101 4.449 4.550 -0.000 0.000 0.293 38 Y C 2.098 177.923 175.900 -0.124 0.000 1.133 38 Y CA 0.604 58.614 58.100 -0.150 0.000 1.283 38 Y CB -0.441 38.007 38.460 -0.019 0.000 1.001 38 Y HN 0.215 nan 8.280 nan 0.000 0.555 39 L N -0.518 120.755 121.223 0.083 0.000 2.109 39 L HA -0.072 4.267 4.340 -0.000 0.000 0.207 39 L C 2.295 179.184 176.870 0.031 0.000 1.086 39 L CA 1.819 56.726 54.840 0.111 0.000 0.760 39 L CB -0.939 41.154 42.059 0.056 0.000 0.910 39 L HN 0.146 nan 8.230 nan 0.000 0.437 40 A N -1.607 121.173 122.820 -0.066 0.000 1.943 40 A HA -0.079 4.241 4.320 -0.000 0.000 0.213 40 A C 2.276 179.756 177.584 -0.174 0.000 1.181 40 A CA 1.092 53.073 52.037 -0.093 0.000 0.653 40 A CB -0.246 18.706 19.000 -0.081 0.000 0.833 40 A HN 0.266 nan 8.150 nan 0.000 0.451 41 K N 0.576 120.775 120.400 -0.335 0.000 2.031 41 K HA -0.035 4.285 4.320 -0.000 0.000 0.205 41 K C 1.289 177.748 176.600 -0.234 0.000 1.049 41 K CA 1.905 57.971 56.287 -0.369 0.000 0.939 41 K CB -0.172 31.885 32.500 -0.737 0.000 0.717 41 K HN 0.398 nan 8.250 nan 0.000 0.438 42 N N -0.627 117.906 118.700 -0.278 0.000 2.405 42 N HA -0.012 4.728 4.740 -0.000 0.000 0.175 42 N C 0.591 175.730 175.510 -0.619 0.000 1.051 42 N CA 0.785 53.566 53.050 -0.448 0.000 0.899 42 N CB 0.299 38.388 38.487 -0.663 0.000 1.000 42 N HN 0.338 nan 8.380 nan 0.000 0.451 43 H N -1.752 117.277 119.070 -0.068 0.000 3.058 43 H HA 0.328 4.884 4.556 -0.000 0.000 0.266 43 H C 1.093 176.380 175.328 -0.069 0.000 1.135 43 H CA 0.577 56.579 56.048 -0.076 0.000 1.174 43 H CB 0.889 30.594 29.762 -0.095 0.000 1.581 43 H HN 0.199 nan 8.280 nan 0.000 0.553 44 G N 1.913 110.715 108.800 0.002 0.000 2.184 44 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.264 44 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.264 44 G C 0.412 175.318 174.900 0.009 0.000 0.975 44 G CA 0.293 45.391 45.100 -0.005 0.000 0.642 44 G HN 0.371 nan 8.290 nan 0.000 0.536 45 I N 1.742 122.330 120.570 0.030 0.000 2.406 45 I HA 0.269 4.439 4.170 -0.000 0.000 0.293 45 I C 1.511 177.642 176.117 0.024 0.000 1.101 45 I CA 0.963 62.278 61.300 0.025 0.000 1.334 45 I CB 1.156 39.169 38.000 0.022 0.000 1.421 45 I HN 0.168 nan 8.210 nan 0.000 0.513 46 T N 3.372 117.944 114.554 0.031 0.000 2.969 46 T HA 0.029 4.379 4.350 -0.000 0.000 0.250 46 T C 0.978 175.723 174.700 0.074 0.000 1.021 46 T CA -0.013 62.111 62.100 0.041 0.000 1.003 46 T CB -0.016 68.873 68.868 0.035 0.000 1.040 46 T HN 0.469 nan 8.240 nan 0.000 0.492 47 N N 2.173 120.926 118.700 0.087 0.000 2.819 47 N HA 0.251 4.991 4.740 -0.000 0.000 0.284 47 N C -1.088 174.546 175.510 0.206 0.000 1.196 47 N CA 0.100 53.240 53.050 0.150 0.000 1.114 47 N CB -0.245 38.305 38.487 0.105 0.000 1.437 47 N HN 0.167 nan 8.380 nan 0.000 0.518 48 V N 0.327 120.343 119.914 0.169 0.000 3.040 48 V HA 0.908 5.028 4.120 -0.000 0.000 0.312 48 V C -0.298 175.684 176.094 -0.186 0.000 1.115 48 V CA -1.206 61.117 62.300 0.039 0.000 0.998 48 V CB 1.706 33.534 31.823 0.007 0.000 1.042 48 V HN 0.476 nan 8.190 nan 0.000 0.433 49 A N 1.746 124.304 122.820 -0.437 0.000 2.449 49 A HA 0.891 5.211 4.320 -0.000 0.000 0.302 49 A C -1.352 176.039 177.584 -0.322 0.000 1.048 49 A CA -0.582 51.076 52.037 -0.631 0.000 0.708 49 A CB 2.034 20.170 19.000 -1.439 0.000 1.274 49 A HN 0.731 nan 8.150 nan 0.000 0.410 50 V N 3.064 122.834 119.914 -0.240 0.000 2.409 50 V HA 0.410 4.530 4.120 -0.000 0.000 0.291 50 V C -0.469 175.527 176.094 -0.163 0.000 1.020 50 V CA -0.247 61.953 62.300 -0.165 0.000 0.848 50 V CB 1.129 32.866 31.823 -0.143 0.000 0.990 50 V HN 0.724 nan 8.190 nan 0.000 0.430 51 L N 4.153 125.297 121.223 -0.132 0.000 2.296 51 L HA 0.726 5.066 4.340 -0.000 0.000 0.286 51 L C -0.324 176.477 176.870 -0.114 0.000 1.023 51 L CA -0.471 54.299 54.840 -0.118 0.000 0.812 51 L CB 1.672 43.672 42.059 -0.100 0.000 1.223 51 L HN 0.580 nan 8.230 nan 0.000 0.421 52 E N 2.642 122.770 120.200 -0.120 0.000 2.218 52 E HA 0.195 4.545 4.350 -0.000 0.000 0.263 52 E C 0.360 176.893 176.600 -0.112 0.000 0.879 52 E CA -0.767 55.553 56.400 -0.132 0.000 0.762 52 E CB 1.556 31.163 29.700 -0.155 0.000 1.166 52 E HN 0.540 nan 8.360 nan 0.000 0.415 53 K N 2.407 122.730 120.400 -0.127 0.000 2.147 53 K HA 0.049 4.369 4.320 -0.000 0.000 0.205 53 K C 0.911 177.470 176.600 -0.068 0.000 1.049 53 K CA 1.219 57.443 56.287 -0.105 0.000 0.936 53 K CB 0.147 32.562 32.500 -0.141 0.000 0.722 53 K HN 0.358 nan 8.250 nan 0.000 0.446 54 G N 1.107 109.855 108.800 -0.086 0.000 3.341 54 G HA2 0.257 4.217 3.960 -0.000 0.000 0.177 54 G HA3 0.257 4.217 3.960 -0.000 0.000 0.177 54 G C -1.026 173.915 174.900 0.069 0.000 1.236 54 G CA -0.578 44.525 45.100 0.004 0.000 0.888 54 G HN 0.355 nan 8.290 nan 0.000 0.644 55 W N 0.369 121.657 121.300 -0.020 0.000 2.316 55 W HA 0.641 5.301 4.660 -0.000 0.000 0.321 55 W C -0.643 175.863 176.519 -0.023 0.000 1.203 55 W CA -1.928 55.414 57.345 -0.004 0.000 1.214 55 W CB 0.360 29.842 29.460 0.037 0.000 1.169 55 W HN 0.201 nan 8.180 nan 0.000 0.561 56 L N 4.255 125.535 121.223 0.095 0.000 2.578 56 L HA 0.170 4.510 4.340 -0.000 0.000 0.279 56 L C 1.297 178.153 176.870 -0.023 0.000 1.227 56 L CA 1.758 56.546 54.840 -0.087 0.000 0.900 56 L CB 0.148 42.028 42.059 -0.299 0.000 1.144 56 L HN 0.939 nan 8.230 nan 0.000 0.496 57 A N 3.125 125.839 122.820 -0.176 0.000 2.860 57 A HA -0.192 4.127 4.320 -0.000 0.000 0.267 57 A C 1.378 178.688 177.584 -0.457 0.000 1.421 57 A CA 1.115 53.035 52.037 -0.196 0.000 0.831 57 A CB -2.358 16.640 19.000 -0.004 0.000 1.041 57 A HN 1.281 nan 8.150 nan 0.000 0.623 58 G N -1.088 107.130 108.800 -0.970 0.000 2.985 58 G HA2 0.445 4.405 3.960 -0.000 0.000 0.209 58 G HA3 0.445 4.405 3.960 -0.000 0.000 0.209 58 G C 0.910 175.262 174.900 -0.913 0.000 1.165 58 G CA 1.096 45.029 45.100 -1.944 0.000 0.776 58 G HN 1.337 nan 8.290 nan 0.000 0.541 59 G N 0.701 109.184 108.800 -0.528 0.000 2.928 59 G HA2 0.109 4.069 3.960 -0.000 0.000 0.163 59 G HA3 0.109 4.069 3.960 -0.000 0.000 0.163 59 G C 1.061 175.848 174.900 -0.189 0.000 1.573 59 G CA -0.167 44.769 45.100 -0.273 0.000 1.084 59 G HN 0.103 nan 8.290 nan 0.000 0.569 60 N N -0.497 118.136 118.700 -0.111 0.000 2.364 60 N HA -0.108 4.632 4.740 -0.000 0.000 0.183 60 N C 1.953 177.397 175.510 -0.110 0.000 1.022 60 N CA 0.728 53.739 53.050 -0.065 0.000 0.883 60 N CB -0.291 38.177 38.487 -0.032 0.000 0.965 60 N HN 0.259 nan 8.380 nan 0.000 0.438 61 M N 0.769 120.271 119.600 -0.164 0.000 2.267 61 M HA -0.012 4.467 4.480 -0.000 0.000 0.263 61 M C 1.394 177.448 176.300 -0.410 0.000 1.063 61 M CA 0.916 56.112 55.300 -0.172 0.000 1.090 61 M CB -0.202 32.308 32.600 -0.150 0.000 1.392 61 M HN 0.139 nan 8.290 nan 0.000 0.422 62 A N -1.227 121.329 122.820 -0.440 0.000 2.308 62 A HA 0.218 4.537 4.320 -0.000 0.000 0.217 62 A C 1.707 178.985 177.584 -0.510 0.000 1.216 62 A CA 0.025 51.672 52.037 -0.649 0.000 0.864 62 A CB -0.250 18.576 19.000 -0.289 0.000 0.902 62 A HN 0.555 nan 8.150 nan 0.000 0.499 63 R N -0.047 120.329 120.500 -0.206 0.000 2.509 63 R HA 0.106 4.446 4.340 -0.000 0.000 0.297 63 R C -0.020 176.539 176.300 0.431 0.000 0.951 63 R CA 0.245 56.464 56.100 0.198 0.000 1.103 63 R CB 0.136 30.602 30.300 0.278 0.000 1.283 63 R HN 0.686 nan 8.270 nan 0.000 0.534 64 N N -0.053 118.761 118.700 0.190 0.000 2.381 64 N HA -0.017 4.723 4.740 -0.000 0.000 0.254 64 N C 0.621 176.219 175.510 0.147 0.000 1.264 64 N CA -0.126 53.001 53.050 0.127 0.000 0.942 64 N CB 0.534 38.992 38.487 -0.048 0.000 1.190 64 N HN -0.110 nan 8.380 nan 0.000 0.495 65 T N -5.106 109.485 114.554 0.061 0.000 3.235 65 T HA 0.048 4.398 4.350 -0.000 0.000 0.251 65 T C 0.818 175.497 174.700 -0.035 0.000 1.060 65 T CA 0.119 62.252 62.100 0.054 0.000 0.949 65 T CB -1.477 67.431 68.868 0.067 0.000 1.020 65 T HN 1.032 nan 8.240 nan 0.000 0.564 66 T N -0.152 114.270 114.554 -0.219 0.000 6.500 66 T HA -0.243 4.106 4.350 -0.000 0.000 0.302 66 T C 0.148 174.947 174.700 0.165 0.000 1.706 66 T CA 0.786 62.718 62.100 -0.279 0.000 2.745 66 T CB -2.807 65.927 68.868 -0.224 0.000 2.168 66 T HN 0.716 nan 8.240 nan 0.000 1.110 67 I N 1.499 122.170 120.570 0.169 0.000 2.517 67 I HA 0.389 4.559 4.170 -0.000 0.000 0.285 67 I C 0.846 177.080 176.117 0.196 0.000 1.106 67 I CA -0.144 61.252 61.300 0.159 0.000 1.402 67 I CB 0.464 38.533 38.000 0.115 0.000 1.399 67 I HN 0.331 nan 8.210 nan 0.000 0.535 68 I N 8.074 128.690 120.570 0.076 0.000 2.406 68 I HA 0.542 4.711 4.170 -0.000 0.000 0.290 68 I C -0.011 176.117 176.117 0.019 0.000 0.999 68 I CA -0.526 60.753 61.300 -0.035 0.000 1.124 68 I CB 1.185 38.968 38.000 -0.362 0.000 1.289 68 I HN 0.691 nan 8.210 nan 0.000 0.441 69 R N 2.713 123.261 120.500 0.081 0.000 2.741 69 R HA 0.563 4.903 4.340 -0.000 0.000 0.274 69 R C -0.835 175.569 176.300 0.173 0.000 1.029 69 R CA -0.761 55.390 56.100 0.085 0.000 0.880 69 R CB 1.346 31.663 30.300 0.028 0.000 1.264 69 R HN 0.478 nan 8.270 nan 0.000 0.465 70 S N -1.064 114.736 115.700 0.166 0.000 3.082 70 S HA 0.052 4.522 4.470 -0.000 0.000 0.253 70 S C -0.298 174.452 174.600 0.251 0.000 0.961 70 S CA -0.652 57.723 58.200 0.292 0.000 1.129 70 S CB -0.339 63.026 63.200 0.274 0.000 1.083 70 S HN 0.682 nan 8.310 nan 0.000 0.605 71 N N 1.691 120.427 118.700 0.059 0.000 3.178 71 N HA 0.131 4.871 4.740 -0.000 0.000 0.300 71 N C -1.053 174.346 175.510 -0.184 0.000 1.242 71 N CA -0.190 52.839 53.050 -0.035 0.000 1.192 71 N CB -0.592 37.847 38.487 -0.079 0.000 1.463 71 N HN 0.462 nan 8.380 nan 0.000 0.539 72 Y N -0.141 120.156 120.300 -0.005 0.000 2.419 72 Y HA 0.198 4.748 4.550 -0.000 0.000 0.328 72 Y C 1.336 177.232 175.900 -0.005 0.000 1.162 72 Y CA -1.054 57.046 58.100 -0.000 0.000 1.174 72 Y CB 1.527 40.031 38.460 0.073 0.000 1.228 72 Y HN 0.084 nan 8.280 nan 0.000 0.473 73 L N 1.165 122.400 121.223 0.020 0.000 2.007 73 L HA 0.052 4.392 4.340 -0.000 0.000 0.205 73 L C -0.002 176.771 176.870 -0.162 0.000 1.073 73 L CA 1.181 55.897 54.840 -0.208 0.000 0.744 73 L CB -0.278 41.456 42.059 -0.541 0.000 0.898 73 L HN 0.572 nan 8.230 nan 0.000 0.435 74 W N 1.149 122.548 121.300 0.166 0.000 2.190 74 W HA 0.110 4.770 4.660 -0.000 0.000 0.330 74 W C 1.624 178.228 176.519 0.141 0.000 1.299 74 W CA -0.625 56.797 57.345 0.128 0.000 1.215 74 W CB 0.346 29.870 29.460 0.107 0.000 1.147 74 W HN 0.129 nan 8.180 nan 0.000 0.563 75 D N 1.845 122.482 120.400 0.395 0.000 2.158 75 D HA -0.212 4.428 4.640 -0.000 0.000 0.197 75 D C 1.478 177.905 176.300 0.212 0.000 0.995 75 D CA 1.715 55.864 54.000 0.248 0.000 0.846 75 D CB -0.096 40.815 40.800 0.185 0.000 0.941 75 D HN 0.532 nan 8.370 nan 0.000 0.456 76 E N 0.599 120.915 120.200 0.193 0.000 2.106 76 E HA -0.068 4.282 4.350 -0.000 0.000 0.192 76 E C 2.268 179.044 176.600 0.292 0.000 0.984 76 E CA 0.759 57.218 56.400 0.098 0.000 0.806 76 E CB -0.085 29.515 29.700 -0.167 0.000 0.750 76 E HN 0.076 nan 8.360 nan 0.000 0.458 77 S N 0.570 116.513 115.700 0.405 0.000 2.345 77 S HA -0.094 4.375 4.470 -0.000 0.000 0.219 77 S C 2.163 177.006 174.600 0.404 0.000 1.031 77 S CA 0.892 59.367 58.200 0.458 0.000 0.984 77 S CB -0.441 63.061 63.200 0.504 0.000 0.874 77 S HN 0.402 nan 8.310 nan 0.000 0.451 78 A N 1.609 124.652 122.820 0.373 0.000 1.978 78 A HA 0.013 4.333 4.320 -0.000 0.000 0.220 78 A C 2.239 179.962 177.584 0.233 0.000 1.170 78 A CA 1.807 54.034 52.037 0.317 0.000 0.636 78 A CB -1.416 17.732 19.000 0.247 0.000 0.810 78 A HN 0.520 nan 8.150 nan 0.000 0.448 79 G N -0.193 108.724 108.800 0.194 0.000 2.453 79 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.215 79 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.215 79 G C 1.588 176.533 174.900 0.075 0.000 1.201 79 G CA 1.080 46.254 45.100 0.125 0.000 0.784 79 G HN 0.511 nan 8.290 nan 0.000 0.545 80 I N -1.249 119.357 120.570 0.059 0.000 2.353 80 I HA -0.006 4.163 4.170 -0.000 0.000 0.248 80 I C 2.398 178.440 176.117 -0.125 0.000 1.119 80 I CA 0.804 62.052 61.300 -0.086 0.000 1.417 80 I CB 0.133 38.034 38.000 -0.166 0.000 1.078 80 I HN 0.202 nan 8.210 nan 0.000 0.421 81 Y N 0.694 121.011 120.300 0.029 0.000 2.263 81 Y HA -0.226 4.324 4.550 -0.000 0.000 0.292 81 Y C 2.493 178.447 175.900 0.090 0.000 1.130 81 Y CA 1.597 59.731 58.100 0.057 0.000 1.179 81 Y CB -0.501 37.989 38.460 0.050 0.000 0.998 81 Y HN 0.226 nan 8.280 nan 0.000 0.532 82 E N 0.967 121.308 120.200 0.236 0.000 2.106 82 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 82 E C 2.059 178.705 176.600 0.078 0.000 0.984 82 E CA 1.414 57.911 56.400 0.161 0.000 0.806 82 E CB -0.091 29.689 29.700 0.134 0.000 0.750 82 E HN 0.139 nan 8.360 nan 0.000 0.458 83 K N 0.072 120.472 120.400 0.000 0.000 2.057 83 K HA -0.033 4.287 4.320 -0.000 0.000 0.207 83 K C 2.249 178.758 176.600 -0.152 0.000 1.049 83 K CA 1.737 57.949 56.287 -0.126 0.000 0.931 83 K CB -0.956 31.400 32.500 -0.240 0.000 0.714 83 K HN 0.097 nan 8.250 nan 0.000 0.440 84 S N -0.268 115.377 115.700 -0.092 0.000 2.368 84 S HA -0.091 4.379 4.470 -0.000 0.000 0.225 84 S C 1.707 176.383 174.600 0.128 0.000 1.030 84 S CA 1.200 59.352 58.200 -0.079 0.000 0.999 84 S CB -0.438 62.763 63.200 0.000 0.000 0.844 84 S HN 0.383 nan 8.310 nan 0.000 0.459 85 L N 1.773 123.147 121.223 0.252 0.000 2.083 85 L HA 0.030 4.370 4.340 -0.000 0.000 0.209 85 L C 2.095 179.104 176.870 0.232 0.000 1.083 85 L CA 1.856 56.898 54.840 0.336 0.000 0.752 85 L CB -0.628 41.581 42.059 0.251 0.000 0.899 85 L HN 0.179 nan 8.230 nan 0.000 0.433 86 K N -0.851 119.616 120.400 0.112 0.000 2.097 86 K HA -0.118 4.202 4.320 -0.000 0.000 0.206 86 K C 2.055 178.681 176.600 0.044 0.000 1.049 86 K CA 1.450 57.780 56.287 0.071 0.000 0.933 86 K CB -0.225 32.283 32.500 0.013 0.000 0.717 86 K HN 0.358 nan 8.250 nan 0.000 0.442 87 L N -1.069 120.137 121.223 -0.030 0.000 2.109 87 L HA -0.143 4.197 4.340 -0.000 0.000 0.207 87 L C 2.164 179.001 176.870 -0.054 0.000 1.086 87 L CA 1.138 55.939 54.840 -0.064 0.000 0.760 87 L CB -0.401 41.555 42.059 -0.171 0.000 0.910 87 L HN 0.306 nan 8.230 nan 0.000 0.437 88 W N 0.999 122.205 121.300 -0.158 0.000 2.335 88 W HA -0.227 4.433 4.660 -0.000 0.000 0.311 88 W C 2.536 178.790 176.519 -0.441 0.000 1.213 88 W CA 1.230 58.325 57.345 -0.417 0.000 1.274 88 W CB -0.152 28.937 29.460 -0.618 0.000 1.148 88 W HN 0.135 nan 8.180 nan 0.000 0.498 89 E N -0.381 119.906 120.200 0.144 0.000 2.209 89 E HA -0.207 4.143 4.350 -0.000 0.000 0.196 89 E C 1.561 178.273 176.600 0.187 0.000 0.993 89 E CA 1.079 57.661 56.400 0.303 0.000 0.819 89 E CB -0.139 29.736 29.700 0.291 0.000 0.745 89 E HN 0.318 nan 8.360 nan 0.000 0.477 90 E N -0.190 120.075 120.200 0.108 0.000 2.489 90 E HA 0.021 4.371 4.350 -0.000 0.000 0.204 90 E C 1.708 178.339 176.600 0.053 0.000 1.006 90 E CA -0.089 56.360 56.400 0.082 0.000 0.936 90 E CB 0.253 29.999 29.700 0.078 0.000 1.002 90 E HN 0.131 nan 8.360 nan 0.000 0.488 91 L N 1.855 123.102 121.223 0.040 0.000 2.042 91 L HA -0.100 4.240 4.340 -0.000 0.000 0.210 91 L C -0.905 175.984 176.870 0.032 0.000 1.076 91 L CA 2.056 56.906 54.840 0.015 0.000 0.749 91 L CB -1.108 40.951 42.059 -0.001 0.000 0.893 91 L HN 0.032 nan 8.230 nan 0.000 0.432 92 P HA -0.160 nan 4.420 nan 0.000 0.215 92 P C 1.356 178.587 177.300 -0.115 0.000 1.157 92 P CA 1.357 64.268 63.100 -0.315 0.000 0.868 92 P CB 0.004 31.482 31.700 -0.371 0.000 0.788 93 E N -0.376 119.796 120.200 -0.046 0.000 2.046 93 E HA -0.156 4.194 4.350 -0.000 0.000 0.190 93 E C 1.994 178.599 176.600 0.009 0.000 0.982 93 E CA 0.974 57.368 56.400 -0.010 0.000 0.800 93 E CB -0.876 28.831 29.700 0.012 0.000 0.756 93 E HN 0.328 nan 8.360 nan 0.000 0.449 94 E N 0.602 120.810 120.200 0.015 0.000 2.114 94 E HA -0.164 4.186 4.350 -0.000 0.000 0.199 94 E C 2.126 178.730 176.600 0.007 0.000 1.008 94 E CA 0.889 57.310 56.400 0.035 0.000 0.810 94 E CB -0.113 29.614 29.700 0.046 0.000 0.739 94 E HN 0.288 nan 8.360 nan 0.000 0.456 95 L N 0.085 121.269 121.223 -0.064 0.000 2.592 95 L HA 0.078 4.418 4.340 -0.000 0.000 0.227 95 L C 0.081 176.989 176.870 0.064 0.000 1.127 95 L CA 0.014 54.809 54.840 -0.076 0.000 0.884 95 L CB -0.165 41.760 42.059 -0.223 0.000 1.065 95 L HN 0.013 nan 8.230 nan 0.000 0.457 96 E N -0.352 119.878 120.200 0.050 0.000 2.297 96 E HA -0.285 4.065 4.350 -0.000 0.000 0.228 96 E C -0.485 176.177 176.600 0.104 0.000 1.213 96 E CA 0.544 56.976 56.400 0.053 0.000 0.712 96 E CB -1.554 28.179 29.700 0.056 0.000 1.202 96 E HN 0.504 nan 8.360 nan 0.000 0.376 97 Y N 0.143 120.404 120.300 -0.064 0.000 2.401 97 Y HA 0.226 4.776 4.550 -0.000 0.000 0.330 97 Y C -0.855 174.907 175.900 -0.229 0.000 1.071 97 Y CA -1.318 56.760 58.100 -0.036 0.000 1.049 97 Y CB 1.510 40.045 38.460 0.124 0.000 1.239 97 Y HN -0.018 nan 8.280 nan 0.000 0.437 98 D N 5.803 126.233 120.400 0.050 0.000 2.468 98 D HA 0.112 4.752 4.640 -0.000 0.000 0.218 98 D C -0.356 175.972 176.300 0.047 0.000 1.155 98 D CA -0.356 53.570 54.000 -0.124 0.000 0.924 98 D CB -0.147 40.570 40.800 -0.139 0.000 1.029 98 D HN 0.399 nan 8.370 nan 0.000 0.515 99 F N 2.314 122.398 119.950 0.223 0.000 2.730 99 F HA 0.356 4.883 4.527 -0.000 0.000 0.295 99 F C 0.731 176.594 175.800 0.106 0.000 1.143 99 F CA -1.043 57.047 58.000 0.150 0.000 1.367 99 F CB -0.594 38.465 39.000 0.099 0.000 0.970 99 F HN 0.172 nan 8.300 nan 0.000 0.514 100 L N 0.874 122.145 121.223 0.080 0.000 3.660 100 L HA -0.298 4.042 4.340 -0.000 0.000 0.440 100 L C -0.126 176.865 176.870 0.201 0.000 1.262 100 L CA 0.009 54.878 54.840 0.048 0.000 0.837 100 L CB -1.492 40.544 42.059 -0.037 0.000 1.689 100 L HN 0.398 nan 8.230 nan 0.000 0.890 101 F N 1.639 121.643 119.950 0.090 0.000 2.541 101 F HA 0.327 4.854 4.527 -0.000 0.000 0.378 101 F C 0.722 176.541 175.800 0.032 0.000 1.068 101 F CA 0.221 58.304 58.000 0.138 0.000 1.199 101 F CB 1.054 40.194 39.000 0.232 0.000 1.091 101 F HN 0.094 nan 8.300 nan 0.000 0.555 102 S N 6.250 121.732 115.700 -0.362 0.000 2.640 102 S HA 0.326 4.796 4.470 -0.000 0.000 0.320 102 S C -0.677 173.602 174.600 -0.534 0.000 1.097 102 S CA -0.674 57.299 58.200 -0.379 0.000 1.092 102 S CB 0.557 63.675 63.200 -0.136 0.000 0.988 102 S HN 0.750 nan 8.310 nan 0.000 0.470 103 Q N 3.893 123.350 119.800 -0.571 0.000 2.681 103 Q HA 0.218 4.557 4.340 -0.000 0.000 0.222 103 Q C 0.982 176.855 176.000 -0.212 0.000 1.258 103 Q CA -0.277 55.270 55.803 -0.426 0.000 1.014 103 Q CB 0.334 28.841 28.738 -0.385 0.000 1.384 103 Q HN 0.703 nan 8.270 nan 0.000 0.570 104 R N 0.417 120.822 120.500 -0.159 0.000 2.427 104 R HA 0.326 4.666 4.340 -0.000 0.000 0.262 104 R C 0.489 176.783 176.300 -0.011 0.000 0.943 104 R CA 0.192 56.249 56.100 -0.072 0.000 1.081 104 R CB 0.225 30.481 30.300 -0.072 0.000 1.166 104 R HN 0.419 nan 8.270 nan 0.000 0.534 105 G N 0.646 109.407 108.800 -0.065 0.000 2.846 105 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.660 105 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.660 105 G C -0.950 173.975 174.900 0.041 0.000 1.464 105 G CA -0.257 44.797 45.100 -0.077 0.000 0.891 105 G HN 0.316 nan 8.290 nan 0.000 0.552 106 V N 0.961 120.906 119.914 0.051 0.000 2.733 106 V HA 0.733 4.853 4.120 -0.000 0.000 0.306 106 V C -0.239 176.004 176.094 0.248 0.000 1.084 106 V CA -0.927 61.453 62.300 0.134 0.000 0.905 106 V CB 1.677 33.537 31.823 0.062 0.000 1.010 106 V HN 0.923 nan 8.190 nan 0.000 0.424 107 L N 5.671 127.038 121.223 0.240 0.000 2.296 107 L HA 0.596 4.936 4.340 -0.000 0.000 0.286 107 L C -0.474 176.484 176.870 0.147 0.000 1.023 107 L CA -0.391 54.569 54.840 0.199 0.000 0.812 107 L CB 1.691 43.821 42.059 0.119 0.000 1.223 107 L HN 0.662 nan 8.230 nan 0.000 0.421 108 N N 4.123 122.894 118.700 0.119 0.000 2.621 108 N HA 0.421 5.160 4.740 -0.000 0.000 0.237 108 N C -0.743 174.819 175.510 0.088 0.000 0.997 108 N CA -0.451 52.667 53.050 0.114 0.000 0.918 108 N CB 0.946 39.489 38.487 0.094 0.000 1.122 108 N HN 0.392 nan 8.380 nan 0.000 0.510 109 L N 1.017 122.279 121.223 0.066 0.000 2.483 109 L HA 0.445 4.785 4.340 -0.000 0.000 0.275 109 L C 0.603 177.468 176.870 -0.008 0.000 1.220 109 L CA -0.391 54.428 54.840 -0.034 0.000 0.833 109 L CB 0.365 42.383 42.059 -0.068 0.000 1.102 109 L HN 0.390 nan 8.230 nan 0.000 0.490 110 A N 0.796 123.537 122.820 -0.132 0.000 2.343 110 A HA 0.587 4.907 4.320 -0.000 0.000 0.316 110 A C -0.535 176.873 177.584 -0.293 0.000 1.104 110 A CA -0.527 51.488 52.037 -0.037 0.000 0.768 110 A CB 0.546 19.652 19.000 0.177 0.000 1.213 110 A HN 0.865 nan 8.150 nan 0.000 0.456 111 H N 0.517 119.508 119.070 -0.131 0.000 3.058 111 H HA 0.260 4.816 4.556 -0.000 0.000 0.266 111 H C 0.548 175.709 175.328 -0.278 0.000 1.135 111 H CA 0.916 56.847 56.048 -0.195 0.000 1.174 111 H CB 0.974 30.587 29.762 -0.247 0.000 1.581 111 H HN 0.740 nan 8.280 nan 0.000 0.553 112 T N -2.951 111.496 114.554 -0.179 0.000 2.864 112 T HA 0.300 4.650 4.350 -0.000 0.000 0.299 112 T C 0.950 175.600 174.700 -0.084 0.000 1.166 112 T CA -0.882 61.121 62.100 -0.162 0.000 1.007 112 T CB 1.131 69.841 68.868 -0.264 0.000 1.219 112 T HN 0.012 nan 8.240 nan 0.000 0.506 113 L N 0.751 121.938 121.223 -0.060 0.000 2.131 113 L HA 0.106 4.446 4.340 -0.000 0.000 0.210 113 L C 2.898 179.725 176.870 -0.072 0.000 1.092 113 L CA 1.774 56.581 54.840 -0.055 0.000 0.759 113 L CB -0.916 41.120 42.059 -0.040 0.000 0.903 113 L HN 0.996 nan 8.230 nan 0.000 0.435 114 G N -0.514 108.246 108.800 -0.065 0.000 2.408 114 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.217 114 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.217 114 G C 1.109 175.968 174.900 -0.068 0.000 1.150 114 G CA 0.672 45.736 45.100 -0.060 0.000 0.776 114 G HN 0.264 nan 8.290 nan 0.000 0.542 115 D N 0.235 120.594 120.400 -0.067 0.000 2.104 115 D HA -0.102 4.538 4.640 -0.000 0.000 0.194 115 D C 2.783 179.043 176.300 -0.068 0.000 0.994 115 D CA 0.746 54.721 54.000 -0.042 0.000 0.830 115 D CB -0.430 40.353 40.800 -0.029 0.000 0.959 115 D HN 0.171 nan 8.370 nan 0.000 0.452 116 V N 0.681 120.534 119.914 -0.102 0.000 2.287 116 V HA -0.251 3.868 4.120 -0.000 0.000 0.248 116 V C 2.537 178.410 176.094 -0.368 0.000 1.053 116 V CA 1.870 64.004 62.300 -0.276 0.000 1.027 116 V CB -0.473 31.215 31.823 -0.226 0.000 0.646 116 V HN 0.166 nan 8.190 nan 0.000 0.447 117 R N 0.082 120.444 120.500 -0.230 0.000 2.080 117 R HA -0.204 4.136 4.340 -0.000 0.000 0.236 117 R C 2.305 178.494 176.300 -0.184 0.000 1.137 117 R CA 1.962 57.941 56.100 -0.201 0.000 0.943 117 R CB -0.246 29.978 30.300 -0.126 0.000 0.846 117 R HN 0.491 nan 8.270 nan 0.000 0.431 118 E N 0.280 120.397 120.200 -0.137 0.000 2.153 118 E HA -0.104 4.245 4.350 -0.000 0.000 0.194 118 E C 2.063 178.589 176.600 -0.123 0.000 0.988 118 E CA 1.204 57.535 56.400 -0.114 0.000 0.811 118 E CB -0.130 29.527 29.700 -0.072 0.000 0.746 118 E HN 0.326 nan 8.360 nan 0.000 0.466 119 S N 1.029 116.645 115.700 -0.141 0.000 2.355 119 S HA -0.084 4.386 4.470 -0.000 0.000 0.222 119 S C 2.009 176.513 174.600 -0.160 0.000 1.031 119 S CA 0.639 58.783 58.200 -0.093 0.000 0.993 119 S CB -0.072 63.120 63.200 -0.014 0.000 0.859 119 S HN 0.157 nan 8.310 nan 0.000 0.453 120 I N 1.926 122.283 120.570 -0.356 0.000 2.163 120 I HA -0.157 4.013 4.170 -0.000 0.000 0.243 120 I C 2.568 178.586 176.117 -0.165 0.000 1.085 120 I CA 1.360 62.465 61.300 -0.326 0.000 1.347 120 I CB -1.201 36.547 38.000 -0.420 0.000 1.044 120 I HN 0.309 nan 8.210 nan 0.000 0.408 121 R N 1.010 121.419 120.500 -0.152 0.000 2.083 121 R HA -0.215 4.125 4.340 -0.000 0.000 0.237 121 R C 2.510 178.757 176.300 -0.088 0.000 1.137 121 R CA 1.822 57.858 56.100 -0.106 0.000 0.951 121 R CB -0.241 29.987 30.300 -0.120 0.000 0.851 121 R HN 0.226 nan 8.270 nan 0.000 0.434 122 R N -0.041 120.400 120.500 -0.098 0.000 2.092 122 R HA -0.074 4.266 4.340 -0.000 0.000 0.231 122 R C 2.134 178.415 176.300 -0.031 0.000 1.119 122 R CA 1.412 57.465 56.100 -0.079 0.000 0.970 122 R CB -0.055 30.195 30.300 -0.084 0.000 0.864 122 R HN 0.139 nan 8.270 nan 0.000 0.440 123 V N 1.395 121.299 119.914 -0.016 0.000 2.261 123 V HA -0.209 3.911 4.120 -0.000 0.000 0.246 123 V C 2.182 178.265 176.094 -0.018 0.000 1.047 123 V CA 1.820 64.127 62.300 0.011 0.000 1.015 123 V CB -0.399 31.460 31.823 0.061 0.000 0.642 123 V HN 0.345 nan 8.190 nan 0.000 0.446 124 E N 0.402 120.584 120.200 -0.030 0.000 2.110 124 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 124 E C 2.290 178.903 176.600 0.022 0.000 0.988 124 E CA 1.494 57.869 56.400 -0.041 0.000 0.804 124 E CB -0.509 29.190 29.700 -0.002 0.000 0.745 124 E HN 0.585 nan 8.360 nan 0.000 0.458 125 A N 1.301 124.157 122.820 0.059 0.000 1.968 125 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 125 A C 1.968 179.617 177.584 0.108 0.000 1.169 125 A CA 1.204 53.315 52.037 0.122 0.000 0.638 125 A CB -0.640 18.389 19.000 0.048 0.000 0.812 125 A HN 0.251 nan 8.150 nan 0.000 0.446 126 N N -0.269 118.460 118.700 0.047 0.000 2.084 126 N HA -0.178 4.562 4.740 -0.000 0.000 0.190 126 N C 1.695 177.222 175.510 0.029 0.000 1.030 126 N CA 1.503 54.583 53.050 0.049 0.000 0.849 126 N CB -0.166 38.337 38.487 0.026 0.000 1.012 126 N HN 0.478 nan 8.380 nan 0.000 0.423 127 K N 0.243 120.613 120.400 -0.051 0.000 2.063 127 K HA -0.117 4.203 4.320 -0.000 0.000 0.208 127 K C 1.369 177.899 176.600 -0.116 0.000 1.048 127 K CA 1.141 57.343 56.287 -0.142 0.000 0.928 127 K CB -0.163 32.153 32.500 -0.306 0.000 0.713 127 K HN 0.139 nan 8.250 nan 0.000 0.442 128 F N 1.207 121.178 119.950 0.035 0.000 2.748 128 F HA -0.006 4.521 4.527 -0.000 0.000 0.299 128 F C 1.435 177.263 175.800 0.046 0.000 1.154 128 F CA 0.575 58.598 58.000 0.037 0.000 1.446 128 F CB -0.040 38.981 39.000 0.034 0.000 1.112 128 F HN 0.038 nan 8.300 nan 0.000 0.584 129 N N -0.521 118.302 118.700 0.204 0.000 2.236 129 N HA 0.140 4.880 4.740 -0.000 0.000 0.196 129 N C 1.551 177.134 175.510 0.121 0.000 1.114 129 N CA 0.922 54.067 53.050 0.159 0.000 0.859 129 N CB 0.675 39.257 38.487 0.158 0.000 0.982 129 N HN 0.243 nan 8.380 nan 0.000 0.493 130 G N 0.630 109.489 108.800 0.098 0.000 2.131 130 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.223 130 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.223 130 G C -0.054 174.885 174.900 0.065 0.000 0.990 130 G CA 0.416 45.561 45.100 0.075 0.000 0.671 130 G HN 0.322 nan 8.290 nan 0.000 0.521 131 V N -1.465 118.485 119.914 0.061 0.000 2.604 131 V HA 0.742 4.862 4.120 -0.000 0.000 0.305 131 V C 0.043 176.151 176.094 0.023 0.000 1.043 131 V CA -0.964 61.368 62.300 0.055 0.000 0.888 131 V CB 1.931 33.803 31.823 0.082 0.000 0.995 131 V HN 0.394 nan 8.190 nan 0.000 0.429 132 D N 3.547 123.951 120.400 0.008 0.000 2.450 132 D HA 0.490 5.130 4.640 -0.000 0.000 0.247 132 D C 0.024 176.307 176.300 -0.029 0.000 1.162 132 D CA 0.486 54.476 54.000 -0.018 0.000 0.879 132 D CB 1.348 42.127 40.800 -0.035 0.000 1.163 132 D HN 1.271 nan 8.370 nan 0.000 0.472 133 A N 2.563 125.372 122.820 -0.018 0.000 2.574 133 A HA 0.629 4.949 4.320 -0.000 0.000 0.297 133 A C -1.048 176.559 177.584 0.038 0.000 1.062 133 A CA -0.913 51.126 52.037 0.003 0.000 0.686 133 A CB 1.628 20.636 19.000 0.014 0.000 1.285 133 A HN 0.543 nan 8.150 nan 0.000 0.403 134 E N 0.919 121.174 120.200 0.092 0.000 2.321 134 E HA 0.281 4.631 4.350 -0.000 0.000 0.278 134 E C -1.490 175.231 176.600 0.200 0.000 0.902 134 E CA -0.461 56.020 56.400 0.135 0.000 0.758 134 E CB 2.092 31.875 29.700 0.138 0.000 1.213 134 E HN 0.708 nan 8.360 nan 0.000 0.426 135 W N 6.224 127.534 121.300 0.016 0.000 2.417 135 W HA 0.548 5.208 4.660 -0.000 0.000 0.317 135 W C -1.727 174.790 176.519 -0.004 0.000 1.121 135 W CA -0.532 56.813 57.345 0.001 0.000 1.208 135 W CB 0.639 30.088 29.460 -0.018 0.000 1.253 135 W HN 0.445 nan 8.180 nan 0.000 0.533 136 L N 5.528 126.180 121.223 -0.950 0.000 2.354 136 L HA 0.363 4.703 4.340 -0.000 0.000 0.269 136 L C 0.854 177.079 176.870 -1.075 0.000 1.005 136 L CA -0.829 53.540 54.840 -0.785 0.000 0.819 136 L CB 2.341 44.108 42.059 -0.488 0.000 1.311 136 L HN 0.439 nan 8.230 nan 0.000 0.423 137 T N -1.883 112.312 114.554 -0.599 0.000 2.816 137 T HA 0.276 4.626 4.350 -0.000 0.000 0.282 137 T C -2.031 172.461 174.700 -0.345 0.000 0.993 137 T CA -1.583 60.274 62.100 -0.404 0.000 0.994 137 T CB 1.284 70.037 68.868 -0.190 0.000 1.025 137 T HN 0.308 nan 8.240 nan 0.000 0.529 138 P HA -0.082 nan 4.420 nan 0.000 0.216 138 P C 1.304 178.491 177.300 -0.189 0.000 1.153 138 P CA 1.095 64.067 63.100 -0.213 0.000 0.858 138 P CB 0.016 31.624 31.700 -0.152 0.000 0.789 139 E N -0.496 119.610 120.200 -0.156 0.000 2.077 139 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 139 E C 2.124 178.632 176.600 -0.152 0.000 0.989 139 E CA 1.271 57.592 56.400 -0.132 0.000 0.800 139 E CB -0.808 28.831 29.700 -0.103 0.000 0.746 139 E HN 0.414 nan 8.360 nan 0.000 0.452 140 Q N -0.137 119.551 119.800 -0.187 0.000 2.172 140 Q HA -0.065 4.274 4.340 -0.000 0.000 0.200 140 Q C 2.218 178.071 176.000 -0.246 0.000 0.964 140 Q CA 1.058 56.738 55.803 -0.205 0.000 0.855 140 Q CB 0.042 28.643 28.738 -0.229 0.000 0.918 140 Q HN 0.159 nan 8.270 nan 0.000 0.444 141 V N 1.247 120.999 119.914 -0.270 0.000 2.343 141 V HA -0.269 3.851 4.120 -0.000 0.000 0.247 141 V C 2.216 178.187 176.094 -0.206 0.000 1.051 141 V CA 1.875 64.013 62.300 -0.270 0.000 1.036 141 V CB -0.412 31.251 31.823 -0.267 0.000 0.654 141 V HN 0.221 nan 8.190 nan 0.000 0.451 142 K N 0.264 120.560 120.400 -0.174 0.000 2.103 142 K HA -0.179 4.141 4.320 -0.000 0.000 0.207 142 K C 2.050 178.580 176.600 -0.116 0.000 1.048 142 K CA 1.383 57.590 56.287 -0.133 0.000 0.930 142 K CB -0.249 32.179 32.500 -0.119 0.000 0.716 142 K HN 0.403 nan 8.250 nan 0.000 0.444 143 E N -0.196 119.925 120.200 -0.131 0.000 2.106 143 E HA -0.105 4.245 4.350 -0.000 0.000 0.192 143 E C 2.008 178.534 176.600 -0.122 0.000 0.984 143 E CA 1.107 57.438 56.400 -0.114 0.000 0.806 143 E CB -0.148 29.482 29.700 -0.116 0.000 0.750 143 E HN 0.156 nan 8.360 nan 0.000 0.458 144 V N -0.059 119.746 119.914 -0.182 0.000 2.488 144 V HA -0.092 4.028 4.120 -0.000 0.000 0.246 144 V C 1.420 177.456 176.094 -0.097 0.000 1.046 144 V CA 0.858 63.034 62.300 -0.206 0.000 1.053 144 V CB 0.144 31.703 31.823 -0.439 0.000 0.679 144 V HN 0.217 nan 8.190 nan 0.000 0.458 145 C N 1.086 120.348 119.300 -0.063 0.000 2.801 145 C HA 0.492 4.952 4.460 -0.000 0.000 0.296 145 C C -1.516 173.479 174.990 0.009 0.000 1.054 145 C CA -1.252 57.790 59.018 0.039 0.000 1.442 145 C CB 0.675 28.501 27.740 0.144 0.000 1.860 145 C HN 0.305 nan 8.230 nan 0.000 0.459 146 P HA -0.101 nan 4.420 nan 0.000 0.221 146 P C 1.276 178.559 177.300 -0.028 0.000 1.145 146 P CA 1.347 64.433 63.100 -0.023 0.000 0.795 146 P CB -0.046 31.645 31.700 -0.015 0.000 0.775 147 I N -4.979 115.594 120.570 0.006 0.000 3.251 147 I HA 0.071 4.241 4.170 -0.000 0.000 0.277 147 I C 0.792 176.865 176.117 -0.073 0.000 1.268 147 I CA 0.252 61.535 61.300 -0.028 0.000 1.449 147 I CB -0.556 37.421 38.000 -0.037 0.000 1.083 147 I HN -0.236 nan 8.210 nan 0.000 0.464 148 I N 2.830 123.337 120.570 -0.105 0.000 2.634 148 I HA 0.004 4.174 4.170 -0.000 0.000 0.284 148 I C 0.391 176.345 176.117 -0.272 0.000 1.124 148 I CA 0.022 61.120 61.300 -0.337 0.000 1.417 148 I CB 0.154 37.969 38.000 -0.308 0.000 1.396 148 I HN 0.168 nan 8.210 nan 0.000 0.571 149 N N 4.593 123.100 118.700 -0.321 0.000 2.482 149 N HA 0.046 4.786 4.740 -0.000 0.000 0.242 149 N C 0.671 176.068 175.510 -0.187 0.000 1.100 149 N CA -0.216 52.706 53.050 -0.213 0.000 0.946 149 N CB 0.627 38.998 38.487 -0.194 0.000 1.227 149 N HN 0.670 nan 8.380 nan 0.000 0.508 150 T N -0.510 113.948 114.554 -0.160 0.000 3.107 150 T HA 0.241 4.591 4.350 -0.000 0.000 0.249 150 T C 1.091 175.723 174.700 -0.113 0.000 1.096 150 T CA -0.359 61.652 62.100 -0.147 0.000 1.012 150 T CB -0.053 68.724 68.868 -0.151 0.000 0.977 150 T HN 0.286 nan 8.240 nan 0.000 0.527 151 G N 0.643 109.382 108.800 -0.100 0.000 2.570 151 G HA2 0.283 4.243 3.960 -0.000 0.000 0.276 151 G HA3 0.283 4.243 3.960 -0.000 0.000 0.276 151 G C 0.034 174.894 174.900 -0.067 0.000 1.346 151 G CA -0.461 44.591 45.100 -0.079 0.000 1.034 151 G HN 0.275 nan 8.290 nan 0.000 0.512 152 D N -0.400 119.967 120.400 -0.056 0.000 2.368 152 D HA -0.018 4.622 4.640 -0.000 0.000 0.218 152 D C 1.065 177.335 176.300 -0.050 0.000 1.112 152 D CA -0.000 53.972 54.000 -0.047 0.000 0.834 152 D CB 0.211 40.987 40.800 -0.040 0.000 0.953 152 D HN 0.435 nan 8.370 nan 0.000 0.505 153 N N 1.044 119.710 118.700 -0.056 0.000 2.370 153 N HA 0.001 4.741 4.740 -0.000 0.000 0.198 153 N C 0.624 176.094 175.510 -0.066 0.000 1.156 153 N CA -0.040 52.974 53.050 -0.058 0.000 0.839 153 N CB -0.303 38.150 38.487 -0.057 0.000 0.989 153 N HN 0.325 nan 8.380 nan 0.000 0.468 154 I N -5.249 115.282 120.570 -0.065 0.000 2.797 154 I HA 0.569 4.738 4.170 -0.000 0.000 0.307 154 I C 1.384 177.441 176.117 -0.101 0.000 1.033 154 I CA -1.360 59.897 61.300 -0.072 0.000 1.071 154 I CB 1.886 39.856 38.000 -0.050 0.000 1.255 154 I HN -0.297 nan 8.210 nan 0.000 0.445 155 R N 2.494 122.895 120.500 -0.166 0.000 2.103 155 R HA -0.104 4.236 4.340 -0.000 0.000 0.242 155 R C -0.373 175.639 176.300 -0.480 0.000 1.142 155 R CA 1.903 57.785 56.100 -0.363 0.000 0.960 155 R CB -0.402 29.605 30.300 -0.489 0.000 0.858 155 R HN 0.718 nan 8.270 nan 0.000 0.439 156 Y N -0.131 120.183 120.300 0.024 0.000 2.787 156 Y HA 0.420 4.969 4.550 -0.000 0.000 0.352 156 Y C -2.217 173.760 175.900 0.128 0.000 1.027 156 Y CA -3.592 54.549 58.100 0.069 0.000 1.219 156 Y CB 0.973 39.491 38.460 0.097 0.000 1.110 156 Y HN 0.033 nan 8.280 nan 0.000 0.614 157 P HA -0.071 nan 4.420 nan 0.000 0.266 157 P C -0.143 177.172 177.300 0.025 0.000 1.193 157 P CA 0.141 63.279 63.100 0.063 0.000 0.770 157 P CB 0.791 32.495 31.700 0.006 0.000 0.836 158 V N 4.870 124.728 119.914 -0.094 0.000 2.529 158 V HA -0.012 4.108 4.120 -0.000 0.000 0.292 158 V C 1.558 177.538 176.094 -0.189 0.000 1.028 158 V CA 0.972 63.098 62.300 -0.290 0.000 1.074 158 V CB -0.010 31.642 31.823 -0.286 0.000 0.958 158 V HN 0.599 nan 8.190 nan 0.000 0.481 159 M N 3.405 122.901 119.600 -0.173 0.000 2.441 159 M HA 0.371 4.851 4.480 -0.000 0.000 0.244 159 M C 0.919 177.206 176.300 -0.021 0.000 1.122 159 M CA 0.712 55.988 55.300 -0.040 0.000 1.041 159 M CB 0.619 33.240 32.600 0.036 0.000 1.438 159 M HN 0.898 nan 8.290 nan 0.000 0.484 160 G N 0.560 109.248 108.800 -0.188 0.000 2.356 160 G HA2 0.516 4.476 3.960 -0.000 0.000 0.266 160 G HA3 0.516 4.476 3.960 -0.000 0.000 0.266 160 G C -2.170 172.415 174.900 -0.525 0.000 1.312 160 G CA -0.335 44.441 45.100 -0.540 0.000 0.922 160 G HN 0.436 nan 8.290 nan 0.000 0.480 161 A N -1.395 120.899 122.820 -0.877 0.000 2.581 161 A HA 0.894 5.214 4.320 -0.000 0.000 0.294 161 A C -0.124 177.372 177.584 -0.146 0.000 1.035 161 A CA 0.681 52.547 52.037 -0.284 0.000 0.684 161 A CB 0.615 19.494 19.000 -0.202 0.000 1.282 161 A HN 2.398 nan 8.150 nan 0.000 0.417 162 T N -1.153 113.492 114.554 0.151 0.000 2.899 162 T HA 0.659 5.009 4.350 -0.000 0.000 0.284 162 T C -0.627 174.184 174.700 0.186 0.000 1.004 162 T CA -0.271 61.957 62.100 0.213 0.000 1.043 162 T CB 1.206 70.187 68.868 0.189 0.000 1.013 162 T HN 1.595 nan 8.240 nan 0.000 0.518 163 Y N 0.741 121.047 120.300 0.009 0.000 2.441 163 Y HA 0.439 4.989 4.550 -0.000 0.000 0.334 163 Y C -0.985 174.916 175.900 0.002 0.000 1.061 163 Y CA -1.130 56.963 58.100 -0.012 0.000 1.032 163 Y CB 2.091 40.524 38.460 -0.044 0.000 1.266 163 Y HN 0.921 nan 8.280 nan 0.000 0.441 164 Q N 8.816 128.361 119.800 -0.424 0.000 2.401 164 Q HA 0.421 4.761 4.340 -0.000 0.000 0.260 164 Q C -2.425 173.178 176.000 -0.662 0.000 1.034 164 Q CA -2.201 53.358 55.803 -0.406 0.000 0.737 164 Q CB 2.037 30.675 28.738 -0.167 0.000 1.227 164 Q HN 0.444 nan 8.270 nan 0.000 0.488 165 P HA -0.168 nan 4.420 nan 0.000 0.216 165 P C 0.413 177.556 177.300 -0.263 0.000 1.150 165 P CA 1.322 64.097 63.100 -0.541 0.000 0.843 165 P CB 0.229 31.760 31.700 -0.282 0.000 0.787 166 R N -0.932 119.463 120.500 -0.175 0.000 2.276 166 R HA 0.180 4.520 4.340 -0.000 0.000 0.203 166 R C 1.155 177.418 176.300 -0.062 0.000 1.017 166 R CA 0.040 56.092 56.100 -0.079 0.000 1.010 166 R CB -0.413 29.883 30.300 -0.007 0.000 0.900 166 R HN 0.180 nan 8.270 nan 0.000 0.469 167 A N 0.386 123.149 122.820 -0.095 0.000 2.310 167 A HA 0.570 4.890 4.320 -0.000 0.000 0.260 167 A C 0.656 178.181 177.584 -0.099 0.000 1.112 167 A CA 0.485 52.489 52.037 -0.055 0.000 0.804 167 A CB 0.287 19.257 19.000 -0.051 0.000 1.081 167 A HN 0.351 nan 8.150 nan 0.000 0.499 168 G N -1.580 107.176 108.800 -0.073 0.000 2.441 168 G HA2 0.507 4.467 3.960 -0.000 0.000 0.225 168 G HA3 0.507 4.467 3.960 -0.000 0.000 0.225 168 G C -0.810 174.064 174.900 -0.044 0.000 1.200 168 G CA -0.032 45.000 45.100 -0.114 0.000 0.947 168 G HN 1.691 nan 8.290 nan 0.000 0.484 169 I N -2.861 117.682 120.570 -0.045 0.000 3.279 169 I HA 0.971 5.141 4.170 -0.000 0.000 0.315 169 I C -0.345 175.850 176.117 0.130 0.000 1.187 169 I CA -1.198 60.132 61.300 0.049 0.000 0.953 169 I CB 1.864 39.882 38.000 0.029 0.000 1.279 169 I HN 1.529 nan 8.210 nan 0.000 0.465 170 A N 1.656 124.591 122.820 0.192 0.000 2.581 170 A HA 0.663 4.983 4.320 -0.000 0.000 0.290 170 A C -1.537 176.157 177.584 0.183 0.000 1.119 170 A CA -0.943 51.272 52.037 0.296 0.000 0.670 170 A CB 1.681 20.919 19.000 0.397 0.000 1.280 170 A HN 0.686 nan 8.150 nan 0.000 0.425 171 K N 1.484 122.014 120.400 0.217 0.000 2.231 171 K HA 0.277 4.597 4.320 -0.000 0.000 0.275 171 K C 0.572 177.233 176.600 0.102 0.000 1.105 171 K CA -0.435 55.896 56.287 0.073 0.000 0.931 171 K CB 0.430 33.054 32.500 0.207 0.000 1.296 171 K HN 0.801 nan 8.250 nan 0.000 0.446 172 H N 1.443 120.492 119.070 -0.036 0.000 2.321 172 H HA -0.219 4.337 4.556 -0.000 0.000 0.295 172 H C 0.734 175.936 175.328 -0.209 0.000 1.102 172 H CA 1.729 57.728 56.048 -0.080 0.000 1.266 172 H CB -0.317 29.216 29.762 -0.381 0.000 1.363 172 H HN 0.537 nan 8.280 nan 0.000 0.492 173 D N 0.679 121.168 120.400 0.148 0.000 2.104 173 D HA -0.170 4.470 4.640 -0.000 0.000 0.194 173 D C 2.148 177.710 176.300 -1.230 0.000 0.994 173 D CA 1.596 55.145 54.000 -0.752 0.000 0.830 173 D CB -0.480 39.708 40.800 -1.019 0.000 0.959 173 D HN 0.603 nan 8.370 nan 0.000 0.452 174 H N 0.100 118.802 119.070 -0.613 0.000 2.457 174 H HA -0.008 4.548 4.556 -0.000 0.000 0.294 174 H C 2.349 177.407 175.328 -0.450 0.000 1.064 174 H CA 0.381 56.199 56.048 -0.383 0.000 1.330 174 H CB 0.052 29.824 29.762 0.017 0.000 1.395 174 H HN 0.034 nan 8.280 nan 0.000 0.541 175 V N 1.051 120.806 119.914 -0.266 0.000 2.358 175 V HA -0.209 3.911 4.120 -0.000 0.000 0.246 175 V C 2.808 178.773 176.094 -0.216 0.000 1.047 175 V CA 1.460 63.470 62.300 -0.484 0.000 1.035 175 V CB -0.881 30.815 31.823 -0.211 0.000 0.658 175 V HN 0.439 nan 8.190 nan 0.000 0.452 176 A N -0.521 122.231 122.820 -0.113 0.000 1.877 176 A HA -0.210 4.110 4.320 -0.000 0.000 0.216 176 A C 1.944 179.635 177.584 0.178 0.000 1.186 176 A CA 1.848 53.898 52.037 0.021 0.000 0.620 176 A CB -0.727 18.241 19.000 -0.053 0.000 0.822 176 A HN 0.647 nan 8.150 nan 0.000 0.443 177 W N -0.294 121.030 121.300 0.040 0.000 2.374 177 W HA 0.036 4.696 4.660 -0.000 0.000 0.288 177 W C 2.698 179.245 176.519 0.046 0.000 1.218 177 W CA 0.449 57.903 57.345 0.181 0.000 1.245 177 W CB -1.295 28.304 29.460 0.232 0.000 1.126 177 W HN 0.459 nan 8.180 nan 0.000 0.545 178 A N -0.308 122.439 122.820 -0.123 0.000 1.873 178 A HA -0.137 4.183 4.320 -0.000 0.000 0.215 178 A C 1.937 179.441 177.584 -0.132 0.000 1.186 178 A CA 1.300 53.180 52.037 -0.263 0.000 0.616 178 A CB -1.304 17.366 19.000 -0.550 0.000 0.823 178 A HN 0.186 nan 8.150 nan 0.000 0.442 179 F N 0.076 119.925 119.950 -0.169 0.000 2.146 179 F HA -0.106 4.421 4.527 -0.000 0.000 0.298 179 F C 2.792 178.569 175.800 -0.038 0.000 1.096 179 F CA 0.999 58.868 58.000 -0.218 0.000 1.275 179 F CB -0.111 38.735 39.000 -0.256 0.000 1.008 179 F HN 0.276 nan 8.300 nan 0.000 0.480 180 A N -0.118 122.847 122.820 0.242 0.000 1.930 180 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 180 A C 2.207 179.957 177.584 0.275 0.000 1.175 180 A CA 1.555 53.712 52.037 0.200 0.000 0.627 180 A CB -0.694 18.392 19.000 0.143 0.000 0.815 180 A HN 0.341 nan 8.150 nan 0.000 0.443 181 R N -0.654 120.037 120.500 0.317 0.000 2.066 181 R HA -0.098 4.242 4.340 -0.000 0.000 0.232 181 R C 1.949 178.395 176.300 0.244 0.000 1.131 181 R CA 1.359 57.634 56.100 0.292 0.000 0.955 181 R CB -0.141 30.342 30.300 0.305 0.000 0.851 181 R HN 0.200 nan 8.270 nan 0.000 0.432 182 K N 0.401 120.925 120.400 0.206 0.000 2.057 182 K HA -0.036 4.283 4.320 -0.000 0.000 0.206 182 K C 1.954 178.709 176.600 0.259 0.000 1.050 182 K CA 1.384 57.805 56.287 0.223 0.000 0.935 182 K CB -0.358 32.261 32.500 0.199 0.000 0.715 182 K HN 0.260 nan 8.250 nan 0.000 0.439 183 A N 1.454 124.434 122.820 0.267 0.000 1.902 183 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 183 A C 2.054 179.735 177.584 0.162 0.000 1.181 183 A CA 2.116 54.281 52.037 0.213 0.000 0.623 183 A CB -0.785 18.322 19.000 0.177 0.000 0.818 183 A HN 0.486 nan 8.150 nan 0.000 0.443 184 N N -0.343 118.464 118.700 0.180 0.000 2.166 184 N HA -0.214 4.526 4.740 -0.000 0.000 0.186 184 N C 1.740 177.371 175.510 0.201 0.000 1.019 184 N CA 1.789 54.953 53.050 0.191 0.000 0.856 184 N CB -0.229 38.408 38.487 0.251 0.000 0.993 184 N HN 0.654 nan 8.380 nan 0.000 0.426 185 E N -0.368 119.958 120.200 0.209 0.000 2.106 185 E HA -0.112 4.237 4.350 -0.000 0.000 0.192 185 E C 1.321 178.001 176.600 0.134 0.000 0.984 185 E CA 0.908 57.419 56.400 0.185 0.000 0.806 185 E CB -0.004 29.807 29.700 0.185 0.000 0.750 185 E HN 0.488 nan 8.360 nan 0.000 0.458 186 M N -0.791 118.883 119.600 0.122 0.000 2.682 186 M HA 0.127 4.607 4.480 -0.000 0.000 0.235 186 M C 1.093 177.440 176.300 0.077 0.000 1.114 186 M CA 0.859 56.209 55.300 0.082 0.000 1.053 186 M CB 0.847 33.480 32.600 0.055 0.000 1.599 186 M HN 0.402 nan 8.290 nan 0.000 0.520 187 G N -0.036 108.824 108.800 0.098 0.000 2.201 187 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.212 187 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.212 187 G C 0.109 175.074 174.900 0.108 0.000 0.994 187 G CA -0.390 44.769 45.100 0.098 0.000 0.644 187 G HN 0.272 nan 8.290 nan 0.000 0.508 188 V N 1.639 121.609 119.914 0.094 0.000 2.655 188 V HA 0.342 4.462 4.120 -0.000 0.000 0.300 188 V C 0.266 176.398 176.094 0.063 0.000 1.044 188 V CA 0.231 62.571 62.300 0.067 0.000 1.095 188 V CB 1.292 33.141 31.823 0.043 0.000 0.952 188 V HN 0.283 nan 8.190 nan 0.000 0.485 189 D N 4.103 124.519 120.400 0.027 0.000 2.317 189 D HA 0.440 5.080 4.640 -0.000 0.000 0.234 189 D C -0.179 176.071 176.300 -0.083 0.000 1.112 189 D CA -0.010 54.002 54.000 0.019 0.000 0.840 189 D CB 0.984 41.840 40.800 0.092 0.000 1.078 189 D HN 0.365 nan 8.370 nan 0.000 0.486 190 I N 4.249 124.778 120.570 -0.069 0.000 2.297 190 I HA 0.227 4.397 4.170 -0.000 0.000 0.291 190 I C -0.292 175.746 176.117 -0.132 0.000 1.033 190 I CA -0.616 60.591 61.300 -0.155 0.000 1.253 190 I CB 0.823 38.660 38.000 -0.270 0.000 1.396 190 I HN 0.099 nan 8.210 nan 0.000 0.476 191 I N 6.603 127.096 120.570 -0.128 0.000 2.330 191 I HA 0.372 4.542 4.170 -0.000 0.000 0.289 191 I C 0.132 176.194 176.117 -0.091 0.000 1.001 191 I CA -0.447 60.804 61.300 -0.081 0.000 1.193 191 I CB 1.041 39.003 38.000 -0.063 0.000 1.345 191 I HN 0.625 nan 8.210 nan 0.000 0.461 192 Q N 4.369 124.132 119.800 -0.062 0.000 2.194 192 Q HA 0.426 4.765 4.340 -0.000 0.000 0.245 192 Q C 0.089 176.080 176.000 -0.014 0.000 0.993 192 Q CA -0.826 54.950 55.803 -0.046 0.000 0.930 192 Q CB 1.160 29.888 28.738 -0.017 0.000 1.238 192 Q HN 0.449 nan 8.270 nan 0.000 0.486 193 N N -0.401 118.298 118.700 -0.002 0.000 2.721 193 N HA -0.186 4.554 4.740 -0.000 0.000 0.249 193 N C -1.221 174.280 175.510 -0.016 0.000 1.072 193 N CA 0.697 53.751 53.050 0.006 0.000 0.710 193 N CB -1.429 37.074 38.487 0.027 0.000 0.993 193 N HN 0.506 nan 8.380 nan 0.000 0.547 194 C N 1.040 120.317 119.300 -0.038 0.000 2.437 194 C HA 0.333 4.793 4.460 -0.000 0.000 0.307 194 C C 0.305 175.253 174.990 -0.071 0.000 1.093 194 C CA -0.865 58.124 59.018 -0.048 0.000 1.463 194 C CB 0.137 27.848 27.740 -0.049 0.000 1.926 194 C HN 0.294 nan 8.230 nan 0.000 0.420 195 E N 4.256 124.413 120.200 -0.071 0.000 2.167 195 E HA 0.395 4.745 4.350 -0.000 0.000 0.284 195 E C -0.661 175.874 176.600 -0.109 0.000 1.016 195 E CA -0.285 56.060 56.400 -0.091 0.000 0.817 195 E CB 1.309 30.961 29.700 -0.081 0.000 1.080 195 E HN 0.638 nan 8.360 nan 0.000 0.397 196 V N 4.984 124.816 119.914 -0.136 0.000 2.446 196 V HA 0.004 4.124 4.120 -0.000 0.000 0.276 196 V C 1.305 177.276 176.094 -0.204 0.000 1.030 196 V CA 0.714 62.889 62.300 -0.209 0.000 1.033 196 V CB 0.765 32.431 31.823 -0.262 0.000 0.993 196 V HN 0.887 nan 8.190 nan 0.000 0.477 197 T N 0.806 115.239 114.554 -0.203 0.000 3.044 197 T HA 0.533 4.883 4.350 -0.000 0.000 0.260 197 T C 0.554 175.162 174.700 -0.155 0.000 1.019 197 T CA 0.329 62.344 62.100 -0.142 0.000 0.921 197 T CB 0.483 69.296 68.868 -0.091 0.000 1.053 197 T HN 1.023 nan 8.240 nan 0.000 0.533 198 G N 0.082 108.700 108.800 -0.303 0.000 2.451 198 G HA2 0.529 4.488 3.960 -0.000 0.000 0.292 198 G HA3 0.529 4.488 3.960 -0.000 0.000 0.292 198 G C -2.180 172.424 174.900 -0.494 0.000 1.427 198 G CA -0.995 43.965 45.100 -0.233 0.000 0.792 198 G HN 0.145 nan 8.290 nan 0.000 0.498 199 F N -0.808 119.152 119.950 0.017 0.000 2.603 199 F HA 0.740 5.267 4.527 -0.000 0.000 0.317 199 F C 0.107 175.919 175.800 0.020 0.000 1.066 199 F CA -0.870 57.144 58.000 0.024 0.000 0.941 199 F CB 2.372 41.393 39.000 0.036 0.000 1.291 199 F HN 0.244 nan 8.300 nan 0.000 0.472 200 L N 2.210 123.563 121.223 0.218 0.000 2.329 200 L HA 0.627 4.966 4.340 -0.000 0.000 0.279 200 L C -0.713 176.224 176.870 0.111 0.000 1.014 200 L CA -0.763 54.151 54.840 0.123 0.000 0.814 200 L CB 2.008 44.115 42.059 0.080 0.000 1.257 200 L HN 0.614 nan 8.230 nan 0.000 0.424 201 K N 0.872 121.316 120.400 0.073 0.000 2.480 201 K HA 0.262 4.582 4.320 -0.000 0.000 0.258 201 K C -0.270 176.347 176.600 0.029 0.000 0.990 201 K CA -0.728 55.586 56.287 0.045 0.000 0.857 201 K CB 2.399 34.920 32.500 0.036 0.000 1.384 201 K HN 0.632 nan 8.250 nan 0.000 0.446 202 D N -0.524 119.886 120.400 0.016 0.000 2.388 202 D HA 0.083 4.723 4.640 -0.000 0.000 0.208 202 D C 0.806 177.110 176.300 0.006 0.000 1.035 202 D CA 0.767 54.773 54.000 0.011 0.000 0.875 202 D CB 0.942 41.746 40.800 0.006 0.000 0.984 202 D HN 0.695 nan 8.370 nan 0.000 0.508 203 G N 0.047 108.849 108.800 0.002 0.000 4.262 203 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.140 203 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.140 203 G C 0.501 175.397 174.900 -0.007 0.000 1.200 203 G CA -0.203 44.897 45.100 -0.001 0.000 1.048 203 G HN 0.072 nan 8.290 nan 0.000 0.358 204 E N 0.267 120.456 120.200 -0.018 0.000 2.810 204 E HA 0.240 4.590 4.350 -0.000 0.000 0.214 204 E C -0.314 176.255 176.600 -0.052 0.000 0.980 204 E CA -0.064 56.317 56.400 -0.032 0.000 1.159 204 E CB 1.698 31.378 29.700 -0.034 0.000 1.047 204 E HN 0.414 nan 8.360 nan 0.000 0.484 205 K N 1.340 121.716 120.400 -0.040 0.000 2.376 205 K HA 0.331 4.650 4.320 -0.000 0.000 0.257 205 K C -0.515 176.066 176.600 -0.031 0.000 0.939 205 K CA -0.550 55.706 56.287 -0.052 0.000 0.809 205 K CB 2.587 35.063 32.500 -0.039 0.000 1.121 205 K HN -0.098 nan 8.250 nan 0.000 0.425 206 V N 3.979 123.865 119.914 -0.047 0.000 2.740 206 V HA 0.103 4.223 4.120 -0.000 0.000 0.303 206 V C 0.630 176.743 176.094 0.033 0.000 1.054 206 V CA 1.185 63.488 62.300 0.004 0.000 1.106 206 V CB 1.180 32.996 31.823 -0.011 0.000 0.957 206 V HN 1.066 nan 8.190 nan 0.000 0.486 207 T N 1.974 116.568 114.554 0.068 0.000 3.058 207 T HA 0.616 4.966 4.350 -0.000 0.000 0.278 207 T C 0.429 175.178 174.700 0.081 0.000 0.974 207 T CA 0.371 62.508 62.100 0.061 0.000 0.893 207 T CB 0.187 69.082 68.868 0.044 0.000 1.138 207 T HN 1.563 nan 8.240 nan 0.000 0.529 208 G N 0.896 109.766 108.800 0.116 0.000 2.315 208 G HA2 0.469 4.429 3.960 -0.000 0.000 0.294 208 G HA3 0.469 4.429 3.960 -0.000 0.000 0.294 208 G C -1.818 173.155 174.900 0.121 0.000 1.300 208 G CA -0.105 45.061 45.100 0.110 0.000 0.843 208 G HN 1.083 nan 8.290 nan 0.000 0.527 209 V N -2.650 117.283 119.914 0.032 0.000 2.925 209 V HA 0.925 5.045 4.120 -0.000 0.000 0.311 209 V C -0.740 175.281 176.094 -0.122 0.000 1.104 209 V CA -1.315 60.915 62.300 -0.118 0.000 0.954 209 V CB 1.852 33.555 31.823 -0.200 0.000 1.022 209 V HN 0.939 nan 8.190 nan 0.000 0.427 210 K N 2.458 122.743 120.400 -0.190 0.000 2.185 210 K HA 0.818 5.138 4.320 -0.000 0.000 0.269 210 K C -0.110 176.400 176.600 -0.150 0.000 0.987 210 K CA 0.532 56.744 56.287 -0.124 0.000 0.865 210 K CB 1.413 33.853 32.500 -0.099 0.000 1.090 210 K HN 1.328 nan 8.250 nan 0.000 0.450 211 T N -1.077 113.419 114.554 -0.096 0.000 2.838 211 T HA 0.268 4.618 4.350 -0.000 0.000 0.292 211 T C 0.764 175.429 174.700 -0.058 0.000 1.113 211 T CA -0.233 61.813 62.100 -0.090 0.000 1.008 211 T CB 0.968 69.790 68.868 -0.077 0.000 1.259 211 T HN 0.529 nan 8.240 nan 0.000 0.520 212 T N -1.316 113.207 114.554 -0.052 0.000 3.163 212 T HA 0.155 4.505 4.350 -0.000 0.000 0.260 212 T C 1.159 175.846 174.700 -0.022 0.000 1.156 212 T CA 0.198 62.278 62.100 -0.034 0.000 1.072 212 T CB -0.348 68.501 68.868 -0.032 0.000 0.937 212 T HN 0.671 nan 8.240 nan 0.000 0.528 213 R N 0.574 121.061 120.500 -0.021 0.000 2.565 213 R HA 0.509 4.849 4.340 -0.000 0.000 0.347 213 R C 0.739 177.038 176.300 -0.002 0.000 1.010 213 R CA 0.025 56.121 56.100 -0.007 0.000 1.126 213 R CB 1.051 31.350 30.300 -0.002 0.000 1.331 213 R HN 0.492 nan 8.270 nan 0.000 0.552 214 G N 0.308 109.102 108.800 -0.010 0.000 2.440 214 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.684 214 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.684 214 G C -0.614 174.282 174.900 -0.008 0.000 1.309 214 G CA -1.111 43.987 45.100 -0.004 0.000 0.931 214 G HN -0.032 nan 8.290 nan 0.000 0.612 215 T N 0.321 114.874 114.554 -0.002 0.000 2.910 215 T HA 0.613 4.963 4.350 -0.000 0.000 0.293 215 T C 0.493 175.206 174.700 0.021 0.000 1.015 215 T CA 0.293 62.392 62.100 -0.001 0.000 1.094 215 T CB 0.712 69.581 68.868 0.001 0.000 0.968 215 T HN 0.589 nan 8.240 nan 0.000 0.521 216 I N 3.201 123.790 120.570 0.032 0.000 2.497 216 I HA 0.295 4.464 4.170 -0.000 0.000 0.284 216 I C -0.363 175.805 176.117 0.085 0.000 1.060 216 I CA -0.695 60.653 61.300 0.080 0.000 1.071 216 I CB 1.437 39.507 38.000 0.117 0.000 1.216 216 I HN 0.348 nan 8.210 nan 0.000 0.442 217 L N 5.544 126.813 121.223 0.077 0.000 2.417 217 L HA 0.715 5.055 4.340 -0.000 0.000 0.268 217 L C 0.381 177.314 176.870 0.104 0.000 1.158 217 L CA -0.168 54.715 54.840 0.071 0.000 0.819 217 L CB 0.967 43.050 42.059 0.039 0.000 1.112 217 L HN 0.707 nan 8.230 nan 0.000 0.458 218 A N 1.078 123.956 122.820 0.098 0.000 2.574 218 A HA 0.604 4.923 4.320 -0.000 0.000 0.297 218 A C 0.429 178.065 177.584 0.087 0.000 1.062 218 A CA 0.026 52.132 52.037 0.115 0.000 0.686 218 A CB 1.365 20.446 19.000 0.135 0.000 1.285 218 A HN 0.791 nan 8.150 nan 0.000 0.403 219 G N 0.230 109.081 108.800 0.085 0.000 2.408 219 G HA2 0.253 4.213 3.960 -0.000 0.000 0.215 219 G HA3 0.253 4.213 3.960 -0.000 0.000 0.215 219 G C 0.517 175.462 174.900 0.075 0.000 1.156 219 G CA 0.738 45.877 45.100 0.065 0.000 0.793 219 G HN 0.641 nan 8.290 nan 0.000 0.535 220 K N -0.706 119.757 120.400 0.104 0.000 2.502 220 K HA 0.589 4.909 4.320 -0.000 0.000 0.257 220 K C -1.786 174.904 176.600 0.149 0.000 0.938 220 K CA -0.646 55.726 56.287 0.141 0.000 0.819 220 K CB 3.399 36.041 32.500 0.237 0.000 1.333 220 K HN -0.091 nan 8.250 nan 0.000 0.434 221 V N 1.333 121.334 119.914 0.145 0.000 2.588 221 V HA 0.654 4.774 4.120 -0.000 0.000 0.304 221 V C -0.903 175.307 176.094 0.193 0.000 1.042 221 V CA -0.872 61.525 62.300 0.161 0.000 0.877 221 V CB 1.657 33.591 31.823 0.186 0.000 0.996 221 V HN 0.908 nan 8.190 nan 0.000 0.425 222 A N 5.637 128.572 122.820 0.192 0.000 2.318 222 A HA 0.882 5.202 4.320 -0.000 0.000 0.324 222 A C -0.874 176.812 177.584 0.170 0.000 1.170 222 A CA -0.538 51.620 52.037 0.201 0.000 0.810 222 A CB 0.832 19.927 19.000 0.159 0.000 1.198 222 A HN 0.814 nan 8.150 nan 0.000 0.484 223 L N 2.244 123.577 121.223 0.182 0.000 2.265 223 L HA 0.615 4.955 4.340 -0.000 0.000 0.289 223 L C 0.529 177.497 176.870 0.164 0.000 1.033 223 L CA -0.297 54.654 54.840 0.186 0.000 0.814 223 L CB 1.719 43.909 42.059 0.218 0.000 1.203 223 L HN 0.816 nan 8.230 nan 0.000 0.423 224 A N 2.259 125.155 122.820 0.126 0.000 3.308 224 A HA 0.498 4.818 4.320 -0.000 0.000 0.275 224 A C 0.852 178.476 177.584 0.065 0.000 0.950 224 A CA -0.168 51.933 52.037 0.107 0.000 0.987 224 A CB 0.257 19.305 19.000 0.080 0.000 1.146 224 A HN 0.819 nan 8.150 nan 0.000 0.488 225 G N -0.564 108.293 108.800 0.095 0.000 3.189 225 G HA2 0.466 4.426 3.960 -0.000 0.000 0.225 225 G HA3 0.466 4.426 3.960 -0.000 0.000 0.225 225 G C 1.097 176.065 174.900 0.114 0.000 1.159 225 G CA 1.000 46.152 45.100 0.087 0.000 0.763 225 G HN 1.706 nan 8.290 nan 0.000 0.549 226 A N 0.194 123.067 122.820 0.089 0.000 5.213 226 A HA -0.263 4.057 4.320 -0.000 0.000 0.347 226 A C 2.502 180.141 177.584 0.091 0.000 1.682 226 A CA 2.452 54.535 52.037 0.075 0.000 0.701 226 A CB -1.601 17.400 19.000 0.002 0.000 1.474 226 A HN 1.430 nan 8.150 nan 0.000 0.405 227 G N -2.390 106.454 108.800 0.074 0.000 2.485 227 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.221 227 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.221 227 G C 0.900 175.791 174.900 -0.015 0.000 1.115 227 G CA 1.934 47.024 45.100 -0.017 0.000 0.751 227 G HN 1.024 nan 8.290 nan 0.000 0.567 228 H N -0.363 118.778 119.070 0.118 0.000 2.517 228 H HA 0.349 4.905 4.556 -0.000 0.000 0.282 228 H C 2.353 177.737 175.328 0.093 0.000 1.023 228 H CA 0.281 56.417 56.048 0.148 0.000 1.169 228 H CB 0.583 30.397 29.762 0.087 0.000 1.454 228 H HN 0.214 nan 8.280 nan 0.000 0.556 229 S N -0.312 115.483 115.700 0.159 0.000 2.383 229 S HA -0.197 4.273 4.470 -0.000 0.000 0.229 229 S C 2.189 176.813 174.600 0.039 0.000 1.030 229 S CA 1.511 59.776 58.200 0.108 0.000 1.002 229 S CB -0.075 63.185 63.200 0.100 0.000 0.829 229 S HN 0.439 nan 8.310 nan 0.000 0.467 230 S N 0.947 116.665 115.700 0.030 0.000 2.382 230 S HA -0.051 4.419 4.470 -0.000 0.000 0.228 230 S C 1.984 176.563 174.600 -0.035 0.000 1.027 230 S CA 0.914 59.096 58.200 -0.029 0.000 0.991 230 S CB -0.327 62.875 63.200 0.004 0.000 0.823 230 S HN 0.341 nan 8.310 nan 0.000 0.469 231 V N 1.960 121.891 119.914 0.027 0.000 2.358 231 V HA -0.137 3.983 4.120 -0.000 0.000 0.246 231 V C 2.143 178.261 176.094 0.041 0.000 1.047 231 V CA 1.472 63.785 62.300 0.021 0.000 1.035 231 V CB -0.661 31.193 31.823 0.051 0.000 0.658 231 V HN 0.407 nan 8.190 nan 0.000 0.452 232 L N -0.006 121.265 121.223 0.081 0.000 2.027 232 L HA -0.111 4.229 4.340 -0.000 0.000 0.206 232 L C 2.781 179.667 176.870 0.026 0.000 1.074 232 L CA 1.551 56.497 54.840 0.175 0.000 0.745 232 L CB -0.861 41.334 42.059 0.228 0.000 0.898 232 L HN 0.336 nan 8.230 nan 0.000 0.433 233 A N -0.042 122.646 122.820 -0.220 0.000 1.892 233 A HA -0.307 4.013 4.320 -0.000 0.000 0.218 233 A C 2.250 179.509 177.584 -0.541 0.000 1.188 233 A CA 2.169 53.746 52.037 -0.767 0.000 0.631 233 A CB -0.657 17.733 19.000 -1.017 0.000 0.822 233 A HN 0.509 nan 8.150 nan 0.000 0.447 234 E N -0.273 119.764 120.200 -0.271 0.000 2.110 234 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 234 E C 1.880 178.449 176.600 -0.052 0.000 0.988 234 E CA 1.088 57.399 56.400 -0.148 0.000 0.804 234 E CB -0.207 29.442 29.700 -0.084 0.000 0.745 234 E HN 0.655 nan 8.360 nan 0.000 0.458 235 L N 0.024 121.269 121.223 0.035 0.000 2.156 235 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 235 L C 2.533 179.534 176.870 0.218 0.000 1.095 235 L CA 0.896 55.845 54.840 0.182 0.000 0.770 235 L CB -0.299 41.959 42.059 0.333 0.000 0.914 235 L HN 0.206 nan 8.230 nan 0.000 0.439 236 A N -0.503 122.310 122.820 -0.012 0.000 2.067 236 A HA 0.201 4.521 4.320 -0.000 0.000 0.217 236 A C 1.648 179.230 177.584 -0.003 0.000 1.156 236 A CA 0.987 52.885 52.037 -0.232 0.000 0.683 236 A CB -0.314 18.421 19.000 -0.442 0.000 0.808 236 A HN 0.511 nan 8.150 nan 0.000 0.455 237 G N -1.612 107.182 108.800 -0.010 0.000 2.167 237 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.194 237 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.194 237 G C -0.115 174.862 174.900 0.128 0.000 1.027 237 G CA 0.076 45.200 45.100 0.039 0.000 0.717 237 G HN 1.519 nan 8.290 nan 0.000 0.501 238 F N -1.641 118.270 119.950 -0.064 0.000 2.685 238 F HA 0.875 5.402 4.527 -0.000 0.000 0.315 238 F C -0.321 175.457 175.800 -0.037 0.000 1.126 238 F CA -1.768 56.200 58.000 -0.053 0.000 0.950 238 F CB 0.943 39.902 39.000 -0.070 0.000 1.360 238 F HN 0.042 nan 8.300 nan 0.000 0.469 239 E N 1.638 121.899 120.200 0.103 0.000 2.242 239 E HA 0.624 4.973 4.350 -0.000 0.000 0.275 239 E C -1.343 175.283 176.600 0.043 0.000 1.002 239 E CA -0.875 55.516 56.400 -0.015 0.000 0.841 239 E CB 2.308 32.021 29.700 0.021 0.000 1.109 239 E HN 0.557 nan 8.360 nan 0.000 0.394 240 L N 3.464 124.651 121.223 -0.061 0.000 2.406 240 L HA 0.314 4.654 4.340 -0.000 0.000 0.272 240 L C -2.161 174.654 176.870 -0.092 0.000 0.980 240 L CA -1.875 52.949 54.840 -0.025 0.000 0.831 240 L CB 2.248 44.281 42.059 -0.043 0.000 1.253 240 L HN 0.387 nan 8.230 nan 0.000 0.406 241 P HA 0.186 nan 4.420 nan 0.000 0.226 241 P C -0.752 176.411 177.300 -0.229 0.000 1.783 241 P CA 0.134 63.057 63.100 -0.295 0.000 0.980 241 P CB -0.416 30.881 31.700 -0.672 0.000 1.967 242 I N -2.509 117.991 120.570 -0.118 0.000 3.042 242 I HA 0.621 4.791 4.170 -0.000 0.000 0.310 242 I C -1.025 175.052 176.117 -0.067 0.000 1.117 242 I CA -1.273 59.987 61.300 -0.067 0.000 1.003 242 I CB 2.545 40.526 38.000 -0.030 0.000 1.228 242 I HN -0.210 nan 8.210 nan 0.000 0.443 243 Q N 2.177 121.935 119.800 -0.069 0.000 2.359 243 Q HA 0.465 4.805 4.340 -0.000 0.000 0.274 243 Q C -1.428 174.383 176.000 -0.315 0.000 1.074 243 Q CA -0.708 54.986 55.803 -0.181 0.000 0.810 243 Q CB 2.558 31.219 28.738 -0.129 0.000 1.342 243 Q HN 0.776 nan 8.270 nan 0.000 0.427 244 S N 2.424 117.831 115.700 -0.488 0.000 2.429 244 S HA 0.504 4.974 4.470 -0.000 0.000 0.302 244 S C -0.631 173.530 174.600 -0.732 0.000 1.115 244 S CA -0.544 57.311 58.200 -0.576 0.000 1.095 244 S CB 0.402 63.088 63.200 -0.857 0.000 0.987 244 S HN 0.331 nan 8.310 nan 0.000 0.474 245 H N 2.009 120.916 119.070 -0.272 0.000 2.679 245 H HA 0.441 4.997 4.556 -0.000 0.000 0.367 245 H C -2.785 172.397 175.328 -0.244 0.000 1.162 245 H CA -2.088 53.803 56.048 -0.262 0.000 1.181 245 H CB 1.641 31.273 29.762 -0.216 0.000 1.693 245 H HN 0.267 nan 8.280 nan 0.000 0.538 246 P HA 0.158 nan 4.420 nan 0.000 0.277 246 P C -0.872 176.366 177.300 -0.103 0.000 1.240 246 P CA -0.533 62.501 63.100 -0.109 0.000 0.798 246 P CB 0.890 32.522 31.700 -0.114 0.000 0.979 247 L N 2.249 123.431 121.223 -0.068 0.000 2.470 247 L HA 0.389 4.729 4.340 -0.000 0.000 0.268 247 L C -0.994 175.819 176.870 -0.094 0.000 0.964 247 L CA -0.298 54.495 54.840 -0.078 0.000 0.839 247 L CB 1.807 43.838 42.059 -0.046 0.000 1.276 247 L HN 0.326 nan 8.230 nan 0.000 0.403 248 Q N 2.961 122.675 119.800 -0.143 0.000 2.248 248 Q HA 0.951 5.291 4.340 -0.000 0.000 0.263 248 Q C -1.008 174.782 176.000 -0.349 0.000 1.007 248 Q CA -0.777 54.886 55.803 -0.233 0.000 0.877 248 Q CB 2.311 30.934 28.738 -0.191 0.000 1.315 248 Q HN 0.853 nan 8.270 nan 0.000 0.454 249 A N 0.973 123.385 122.820 -0.680 0.000 2.593 249 A HA 0.856 5.176 4.320 -0.000 0.000 0.290 249 A C -1.840 175.058 177.584 -1.143 0.000 1.126 249 A CA -0.594 50.934 52.037 -0.847 0.000 0.695 249 A CB 1.313 19.761 19.000 -0.919 0.000 1.290 249 A HN 0.583 nan 8.150 nan 0.000 0.414 250 L N -1.970 118.764 121.223 -0.815 0.000 2.720 250 L HA 0.944 5.284 4.340 -0.000 0.000 0.261 250 L C -0.808 176.028 176.870 -0.057 0.000 1.046 250 L CA -0.826 53.759 54.840 -0.425 0.000 0.886 250 L CB 1.409 43.372 42.059 -0.161 0.000 1.493 250 L HN 1.481 nan 8.230 nan 0.000 0.407 251 V N -2.034 117.995 119.914 0.191 0.000 3.078 251 V HA 0.982 5.102 4.120 -0.000 0.000 0.311 251 V C 0.127 176.305 176.094 0.140 0.000 1.138 251 V CA 0.226 62.647 62.300 0.200 0.000 1.007 251 V CB 1.183 33.187 31.823 0.301 0.000 1.045 251 V HN 1.345 nan 8.190 nan 0.000 0.432 252 S N 1.186 116.948 115.700 0.104 0.000 2.718 252 S HA 0.631 5.101 4.470 -0.000 0.000 0.292 252 S C 0.040 174.705 174.600 0.108 0.000 1.125 252 S CA -0.322 57.956 58.200 0.131 0.000 1.013 252 S CB 1.223 64.513 63.200 0.151 0.000 1.192 252 S HN 1.204 nan 8.310 nan 0.000 0.535 253 E N 0.284 120.532 120.200 0.080 0.000 2.602 253 E HA 0.318 4.668 4.350 -0.000 0.000 0.255 253 E C -0.474 175.972 176.600 -0.256 0.000 1.268 253 E CA -0.725 55.611 56.400 -0.106 0.000 1.007 253 E CB 0.136 29.719 29.700 -0.195 0.000 1.208 253 E HN 0.650 nan 8.360 nan 0.000 0.584 254 L N 0.702 121.728 121.223 -0.328 0.000 2.380 254 L HA 0.293 4.633 4.340 -0.000 0.000 0.273 254 L C -0.411 176.134 176.870 -0.543 0.000 1.138 254 L CA -0.061 54.611 54.840 -0.280 0.000 0.832 254 L CB -0.166 41.798 42.059 -0.158 0.000 1.124 254 L HN 0.383 nan 8.230 nan 0.000 0.454 255 F N 0.307 120.254 119.950 -0.004 0.000 2.599 255 F HA 0.356 4.883 4.527 -0.000 0.000 0.311 255 F C 0.384 176.181 175.800 -0.005 0.000 1.076 255 F CA -0.905 57.096 58.000 0.002 0.000 0.937 255 F CB 1.518 40.517 39.000 -0.001 0.000 1.282 255 F HN 0.406 nan 8.300 nan 0.000 0.460 256 E N 1.979 122.316 120.200 0.228 0.000 2.404 256 E HA 0.149 4.499 4.350 -0.000 0.000 0.261 256 E C -2.329 174.336 176.600 0.108 0.000 1.074 256 E CA -1.538 54.931 56.400 0.115 0.000 0.917 256 E CB 0.156 29.913 29.700 0.095 0.000 0.965 256 E HN 0.156 nan 8.360 nan 0.000 0.433 257 P HA -0.130 nan 4.420 nan 0.000 0.258 257 P C 0.117 177.460 177.300 0.072 0.000 1.172 257 P CA 0.554 63.684 63.100 0.050 0.000 0.762 257 P CB 0.329 32.037 31.700 0.014 0.000 0.764 258 V N -0.065 119.911 119.914 0.105 0.000 3.264 258 V HA 0.245 4.365 4.120 -0.000 0.000 0.262 258 V C 0.087 176.290 176.094 0.182 0.000 1.616 258 V CA 0.365 62.735 62.300 0.117 0.000 1.033 258 V CB -0.187 31.704 31.823 0.114 0.000 0.865 258 V HN 0.419 nan 8.190 nan 0.000 0.420 259 H N 3.717 122.827 119.070 0.066 0.000 2.786 259 H HA 0.614 5.170 4.556 -0.000 0.000 0.284 259 H C -1.937 173.418 175.328 0.045 0.000 1.104 259 H CA -1.958 54.128 56.048 0.063 0.000 1.339 259 H CB 2.191 32.008 29.762 0.090 0.000 1.427 259 H HN 0.151 nan 8.280 nan 0.000 0.497 260 P HA 0.000 nan 4.420 nan 0.000 0.229 260 P C 0.434 177.637 177.300 -0.162 0.000 1.160 260 P CA 0.489 63.539 63.100 -0.082 0.000 0.777 260 P CB 1.028 32.722 31.700 -0.010 0.000 0.814 261 T N -1.281 113.086 114.554 -0.311 0.000 2.693 261 T HA 0.448 4.797 4.350 -0.000 0.000 0.278 261 T C -1.202 173.311 174.700 -0.313 0.000 0.994 261 T CA -0.631 61.352 62.100 -0.194 0.000 1.033 261 T CB 1.322 70.201 68.868 0.018 0.000 1.342 261 T HN -0.338 nan 8.240 nan 0.000 0.538 262 V N 2.083 121.975 119.914 -0.037 0.000 2.427 262 V HA 0.639 4.759 4.120 -0.000 0.000 0.286 262 V C -0.406 175.819 176.094 0.218 0.000 1.034 262 V CA -0.560 61.784 62.300 0.075 0.000 0.893 262 V CB 1.343 33.216 31.823 0.082 0.000 0.982 262 V HN 0.650 nan 8.190 nan 0.000 0.452 263 V N 6.361 126.487 119.914 0.353 0.000 2.487 263 V HA 0.579 4.698 4.120 -0.000 0.000 0.298 263 V C -0.198 176.091 176.094 0.324 0.000 1.028 263 V CA -0.387 62.135 62.300 0.370 0.000 0.860 263 V CB 1.728 33.895 31.823 0.573 0.000 0.991 263 V HN 0.858 nan 8.190 nan 0.000 0.427 264 M N 3.603 123.364 119.600 0.269 0.000 2.393 264 M HA 0.571 5.051 4.480 -0.000 0.000 0.299 264 M C -0.674 175.739 176.300 0.188 0.000 1.103 264 M CA -0.344 55.147 55.300 0.318 0.000 0.910 264 M CB 2.365 35.211 32.600 0.409 0.000 1.659 264 M HN 0.557 nan 8.290 nan 0.000 0.445 265 S N 1.269 116.983 115.700 0.023 0.000 2.776 265 S HA 0.381 4.851 4.470 -0.000 0.000 0.284 265 S C -0.127 174.426 174.600 -0.079 0.000 1.160 265 S CA -0.671 57.548 58.200 0.031 0.000 1.051 265 S CB 0.648 63.870 63.200 0.038 0.000 1.037 265 S HN 0.778 nan 8.310 nan 0.000 0.485 266 N N 2.874 121.626 118.700 0.088 0.000 2.171 266 N HA -0.053 4.687 4.740 -0.000 0.000 0.184 266 N C 1.508 176.904 175.510 -0.190 0.000 1.021 266 N CA 1.012 54.116 53.050 0.091 0.000 0.854 266 N CB -0.527 38.055 38.487 0.159 0.000 0.994 266 N HN 0.784 nan 8.380 nan 0.000 0.426 267 H N 0.891 119.792 119.070 -0.281 0.000 2.352 267 H HA -0.039 4.517 4.556 -0.000 0.000 0.299 267 H C 1.407 176.291 175.328 -0.740 0.000 1.097 267 H CA 1.385 57.142 56.048 -0.485 0.000 1.311 267 H CB 0.268 29.774 29.762 -0.426 0.000 1.377 267 H HN 0.262 nan 8.280 nan 0.000 0.504 268 I N -2.667 117.522 120.570 -0.635 0.000 3.941 268 I HA 0.114 4.284 4.170 -0.000 0.000 0.335 268 I C -0.602 175.260 176.117 -0.425 0.000 1.402 268 I CA -0.265 60.709 61.300 -0.544 0.000 1.112 268 I CB 0.033 37.805 38.000 -0.379 0.000 1.043 268 I HN 0.035 nan 8.210 nan 0.000 0.395 269 H N 0.785 119.703 119.070 -0.253 0.000 2.591 269 H HA -0.082 4.474 4.556 -0.000 0.000 0.325 269 H C -0.803 174.244 175.328 -0.468 0.000 1.096 269 H CA 0.388 56.251 56.048 -0.309 0.000 1.108 269 H CB -1.554 28.126 29.762 -0.137 0.000 1.590 269 H HN 0.322 nan 8.280 nan 0.000 0.399 270 V N 2.110 121.629 119.914 -0.658 0.000 2.623 270 V HA 0.430 4.550 4.120 -0.000 0.000 0.304 270 V C -0.518 175.164 176.094 -0.687 0.000 1.054 270 V CA -0.792 61.233 62.300 -0.458 0.000 0.882 270 V CB 2.099 33.858 31.823 -0.107 0.000 1.002 270 V HN 0.307 nan 8.190 nan 0.000 0.424 271 Y N 3.413 123.792 120.300 0.132 0.000 2.322 271 Y HA 0.783 5.333 4.550 -0.000 0.000 0.324 271 Y C -0.304 175.666 175.900 0.117 0.000 1.027 271 Y CA -0.864 57.312 58.100 0.127 0.000 1.179 271 Y CB 2.154 40.666 38.460 0.087 0.000 1.136 271 Y HN 0.465 nan 8.280 nan 0.000 0.449 272 V N 2.797 122.872 119.914 0.269 0.000 3.120 272 V HA 0.916 5.036 4.120 -0.000 0.000 0.303 272 V C -1.291 174.967 176.094 0.273 0.000 1.238 272 V CA -0.342 62.075 62.300 0.194 0.000 1.008 272 V CB 2.433 34.304 31.823 0.080 0.000 1.064 272 V HN 0.840 nan 8.190 nan 0.000 0.434 273 S N 4.112 119.929 115.700 0.196 0.000 2.596 273 S HA 0.611 5.080 4.470 -0.000 0.000 0.270 273 S C -1.323 173.347 174.600 0.117 0.000 1.155 273 S CA -0.716 57.566 58.200 0.137 0.000 0.827 273 S CB 1.947 65.174 63.200 0.045 0.000 1.130 273 S HN 1.057 nan 8.310 nan 0.000 0.467 274 Q N 1.150 120.985 119.800 0.060 0.000 2.348 274 Q HA 0.660 5.000 4.340 -0.000 0.000 0.265 274 Q C -0.096 175.921 176.000 0.029 0.000 0.998 274 Q CA -0.830 55.005 55.803 0.053 0.000 0.831 274 Q CB 1.443 30.232 28.738 0.084 0.000 1.251 274 Q HN 1.056 nan 8.270 nan 0.000 0.456 275 A N 2.923 125.767 122.820 0.040 0.000 2.448 275 A HA -0.067 4.253 4.320 -0.000 0.000 0.239 275 A C 0.820 178.446 177.584 0.070 0.000 1.080 275 A CA 0.098 52.167 52.037 0.055 0.000 0.779 275 A CB 0.138 19.169 19.000 0.053 0.000 1.026 275 A HN 1.061 nan 8.150 nan 0.000 0.499 276 H N 0.760 119.837 119.070 0.013 0.000 2.422 276 H HA -0.118 4.438 4.556 -0.000 0.000 0.298 276 H C 1.714 177.058 175.328 0.026 0.000 1.098 276 H CA 2.313 58.371 56.048 0.016 0.000 1.315 276 H CB 0.116 29.887 29.762 0.014 0.000 1.382 276 H HN 0.799 nan 8.280 nan 0.000 0.523 277 K N -0.476 119.998 120.400 0.124 0.000 2.209 277 K HA -0.088 4.232 4.320 -0.000 0.000 0.204 277 K C 1.148 177.745 176.600 -0.005 0.000 1.048 277 K CA 1.183 57.516 56.287 0.077 0.000 0.940 277 K CB 0.089 32.650 32.500 0.101 0.000 0.729 277 K HN 0.554 nan 8.250 nan 0.000 0.451 278 G N 0.767 109.566 108.800 -0.001 0.000 2.229 278 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.189 278 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.189 278 G C -0.375 174.560 174.900 0.059 0.000 1.000 278 G CA 0.103 45.211 45.100 0.013 0.000 0.663 278 G HN 0.433 nan 8.290 nan 0.000 0.493 279 E N 1.878 122.108 120.200 0.050 0.000 2.313 279 E HA 0.566 4.916 4.350 -0.000 0.000 0.272 279 E C -0.004 176.629 176.600 0.054 0.000 1.038 279 E CA -0.746 55.695 56.400 0.068 0.000 0.863 279 E CB 1.321 31.057 29.700 0.060 0.000 1.060 279 E HN 0.348 nan 8.360 nan 0.000 0.402 280 L N 1.691 122.926 121.223 0.020 0.000 2.380 280 L HA 0.245 4.585 4.340 -0.000 0.000 0.273 280 L C -0.219 176.651 176.870 0.000 0.000 1.138 280 L CA -0.828 53.971 54.840 -0.068 0.000 0.832 280 L CB 1.165 43.044 42.059 -0.299 0.000 1.124 280 L HN 0.323 nan 8.230 nan 0.000 0.454 281 V N 4.826 124.755 119.914 0.025 0.000 2.378 281 V HA 0.468 4.588 4.120 -0.000 0.000 0.288 281 V C -0.114 176.006 176.094 0.043 0.000 1.016 281 V CA -0.338 62.006 62.300 0.072 0.000 0.840 281 V CB 1.616 33.496 31.823 0.094 0.000 0.994 281 V HN 0.744 nan 8.190 nan 0.000 0.431 282 M N 3.793 123.395 119.600 0.004 0.000 2.457 282 M HA 0.845 5.325 4.480 -0.000 0.000 0.300 282 M C -0.193 176.083 176.300 -0.040 0.000 1.141 282 M CA -0.235 55.067 55.300 0.003 0.000 0.901 282 M CB 2.381 34.964 32.600 -0.028 0.000 1.687 282 M HN 0.788 nan 8.290 nan 0.000 0.449 283 G N 1.514 110.351 108.800 0.061 0.000 2.725 283 G HA2 0.927 4.887 3.960 -0.000 0.000 0.288 283 G HA3 0.927 4.887 3.960 -0.000 0.000 0.288 283 G C -1.908 173.132 174.900 0.233 0.000 1.399 283 G CA -0.153 44.972 45.100 0.043 0.000 0.859 283 G HN 1.012 nan 8.290 nan 0.000 0.479 284 A N -1.213 121.716 122.820 0.181 0.000 3.865 284 A HA 0.919 5.239 4.320 -0.000 0.000 0.284 284 A C 0.573 178.260 177.584 0.172 0.000 1.105 284 A CA 0.166 52.386 52.037 0.305 0.000 0.605 284 A CB 0.112 19.164 19.000 0.086 0.000 1.594 284 A HN 2.074 nan 8.150 nan 0.000 0.741 285 G N -0.427 108.414 108.800 0.068 0.000 2.630 285 G HA2 0.424 4.384 3.960 -0.000 0.000 0.236 285 G HA3 0.424 4.384 3.960 -0.000 0.000 0.236 285 G C 0.102 174.941 174.900 -0.101 0.000 1.248 285 G CA 0.198 45.265 45.100 -0.055 0.000 0.844 285 G HN 0.900 nan 8.290 nan 0.000 0.588 286 I N -0.150 120.345 120.570 -0.124 0.000 2.662 286 I HA 0.154 4.324 4.170 -0.000 0.000 0.291 286 I C -0.249 175.737 176.117 -0.218 0.000 1.046 286 I CA -0.678 60.526 61.300 -0.159 0.000 1.361 286 I CB 0.918 38.818 38.000 -0.167 0.000 1.429 286 I HN 0.425 nan 8.210 nan 0.000 0.558 287 D N 3.805 124.047 120.400 -0.264 0.000 2.343 287 D HA 0.050 4.690 4.640 -0.000 0.000 0.255 287 D C 1.203 177.231 176.300 -0.454 0.000 1.187 287 D CA 0.281 54.052 54.000 -0.381 0.000 0.875 287 D CB 1.179 41.637 40.800 -0.570 0.000 1.136 287 D HN 0.575 nan 8.370 nan 0.000 0.469 288 S N 2.430 117.943 115.700 -0.312 0.000 2.419 288 S HA -0.186 4.284 4.470 -0.000 0.000 0.233 288 S C 0.766 175.343 174.600 -0.038 0.000 1.016 288 S CA 0.634 58.699 58.200 -0.225 0.000 0.974 288 S CB -0.507 62.657 63.200 -0.059 0.000 0.786 288 S HN 0.586 nan 8.310 nan 0.000 0.492 289 Y N 1.242 121.620 120.300 0.131 0.000 2.326 289 Y HA 0.689 5.239 4.550 -0.000 0.000 0.324 289 Y C -0.014 176.015 175.900 0.216 0.000 1.291 289 Y CA -1.988 56.210 58.100 0.164 0.000 1.348 289 Y CB -0.150 38.361 38.460 0.085 0.000 1.294 289 Y HN -0.185 nan 8.280 nan 0.000 0.525 290 N N 0.481 119.311 118.700 0.217 0.000 2.513 290 N HA 0.520 5.259 4.740 -0.000 0.000 0.268 290 N C -0.363 175.195 175.510 0.079 0.000 1.180 290 N CA 0.307 53.315 53.050 -0.070 0.000 0.948 290 N CB 1.266 39.707 38.487 -0.077 0.000 1.083 290 N HN 1.014 nan 8.380 nan 0.000 0.455 291 G N 0.461 109.182 108.800 -0.131 0.000 2.755 291 G HA2 0.387 4.347 3.960 -0.000 0.000 0.297 291 G HA3 0.387 4.347 3.960 -0.000 0.000 0.297 291 G C -1.227 173.547 174.900 -0.210 0.000 1.441 291 G CA -0.449 44.651 45.100 0.001 0.000 0.964 291 G HN 0.526 nan 8.290 nan 0.000 0.540 292 Y N 1.186 121.488 120.300 0.003 0.000 2.612 292 Y HA 0.272 4.822 4.550 -0.000 0.000 0.250 292 Y C 2.154 178.070 175.900 0.027 0.000 1.175 292 Y CA 0.292 58.372 58.100 -0.034 0.000 1.205 292 Y CB 1.654 40.072 38.460 -0.070 0.000 1.201 292 Y HN 0.681 nan 8.280 nan 0.000 0.532 293 G N -0.589 108.315 108.800 0.173 0.000 2.744 293 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.211 293 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.211 293 G C 0.627 175.608 174.900 0.135 0.000 1.143 293 G CA 0.134 45.326 45.100 0.152 0.000 0.788 293 G HN 0.432 nan 8.290 nan 0.000 0.534 294 Q N -0.947 118.922 119.800 0.114 0.000 2.475 294 Q HA -0.221 4.119 4.340 -0.000 0.000 0.280 294 Q C 0.241 176.319 176.000 0.129 0.000 1.234 294 Q CA 1.178 57.053 55.803 0.119 0.000 0.873 294 Q CB -1.707 27.119 28.738 0.148 0.000 1.256 294 Q HN 0.882 nan 8.270 nan 0.000 0.475 295 R N -2.128 118.438 120.500 0.109 0.000 2.716 295 R HA 0.847 5.187 4.340 -0.000 0.000 0.271 295 R C -0.564 175.798 176.300 0.103 0.000 1.028 295 R CA -0.431 55.734 56.100 0.109 0.000 0.883 295 R CB 1.369 31.743 30.300 0.124 0.000 1.250 295 R HN 0.081 nan 8.270 nan 0.000 0.465 296 G N -0.242 108.613 108.800 0.091 0.000 2.687 296 G HA2 0.620 4.580 3.960 -0.000 0.000 0.291 296 G HA3 0.620 4.580 3.960 -0.000 0.000 0.291 296 G C -1.360 173.589 174.900 0.082 0.000 1.420 296 G CA -0.611 44.551 45.100 0.103 0.000 0.796 296 G HN 0.727 nan 8.290 nan 0.000 0.485 297 A N -0.620 122.229 122.820 0.048 0.000 2.445 297 A HA 0.484 4.804 4.320 -0.000 0.000 0.242 297 A C 0.709 178.241 177.584 -0.088 0.000 1.075 297 A CA -0.118 51.913 52.037 -0.010 0.000 0.777 297 A CB 0.194 19.148 19.000 -0.077 0.000 1.013 297 A HN 1.056 nan 8.150 nan 0.000 0.493 298 F N 1.404 121.297 119.950 -0.095 0.000 2.325 298 F HA -0.091 4.435 4.527 -0.000 0.000 0.299 298 F C 2.138 177.896 175.800 -0.069 0.000 1.090 298 F CA 2.201 60.163 58.000 -0.063 0.000 1.392 298 F CB -0.441 38.565 39.000 0.011 0.000 1.053 298 F HN 0.894 nan 8.300 nan 0.000 0.521 299 H N -2.217 116.848 119.070 -0.008 0.000 2.489 299 H HA -0.090 4.466 4.556 -0.000 0.000 0.295 299 H C 1.916 177.146 175.328 -0.163 0.000 1.082 299 H CA 1.556 57.552 56.048 -0.087 0.000 1.295 299 H CB -1.411 28.353 29.762 0.003 0.000 1.380 299 H HN 0.168 nan 8.280 nan 0.000 0.548 300 V N 0.890 120.523 119.914 -0.469 0.000 2.407 300 V HA -0.199 3.920 4.120 -0.000 0.000 0.248 300 V C 2.469 178.401 176.094 -0.271 0.000 1.055 300 V CA 1.898 64.022 62.300 -0.293 0.000 1.049 300 V CB -0.438 31.198 31.823 -0.312 0.000 0.662 300 V HN 0.473 nan 8.190 nan 0.000 0.455 301 I N -0.429 119.883 120.570 -0.429 0.000 2.406 301 I HA -0.158 4.012 4.170 -0.000 0.000 0.249 301 I C 2.470 178.330 176.117 -0.428 0.000 1.122 301 I CA 1.187 62.212 61.300 -0.459 0.000 1.431 301 I CB -0.306 37.306 38.000 -0.646 0.000 1.087 301 I HN 0.354 nan 8.210 nan 0.000 0.424 302 E N 0.848 120.738 120.200 -0.516 0.000 2.110 302 E HA -0.239 4.111 4.350 -0.000 0.000 0.193 302 E C 1.981 178.512 176.600 -0.116 0.000 0.988 302 E CA 1.180 57.421 56.400 -0.265 0.000 0.804 302 E CB -0.052 29.556 29.700 -0.153 0.000 0.745 302 E HN 0.528 nan 8.360 nan 0.000 0.458 303 E N 0.777 120.922 120.200 -0.092 0.000 2.106 303 E HA -0.221 4.129 4.350 -0.000 0.000 0.192 303 E C 2.244 178.827 176.600 -0.028 0.000 0.984 303 E CA 1.245 57.627 56.400 -0.031 0.000 0.806 303 E CB -0.076 29.622 29.700 -0.002 0.000 0.750 303 E HN 0.377 nan 8.360 nan 0.000 0.458 304 Q N 0.029 119.795 119.800 -0.057 0.000 2.297 304 Q HA -0.074 4.266 4.340 -0.000 0.000 0.204 304 Q C 2.010 177.999 176.000 -0.019 0.000 0.962 304 Q CA 0.772 56.555 55.803 -0.034 0.000 0.879 304 Q CB -0.042 28.668 28.738 -0.046 0.000 0.947 304 Q HN 0.179 nan 8.270 nan 0.000 0.462 305 M N 1.094 120.672 119.600 -0.037 0.000 2.132 305 M HA -0.037 4.443 4.480 -0.000 0.000 0.263 305 M C 2.348 178.659 176.300 0.018 0.000 1.065 305 M CA 1.606 56.904 55.300 -0.003 0.000 1.122 305 M CB -1.032 31.558 32.600 -0.017 0.000 1.365 305 M HN 0.448 nan 8.290 nan 0.000 0.411 306 A N 0.302 123.123 122.820 0.002 0.000 1.883 306 A HA -0.047 4.273 4.320 -0.000 0.000 0.217 306 A C 2.403 179.988 177.584 0.003 0.000 1.186 306 A CA 2.282 54.322 52.037 0.005 0.000 0.624 306 A CB -0.947 18.052 19.000 -0.001 0.000 0.822 306 A HN 0.484 nan 8.150 nan 0.000 0.444 307 A N -0.420 122.399 122.820 -0.002 0.000 1.930 307 A HA 0.233 4.553 4.320 -0.000 0.000 0.217 307 A C 2.463 180.054 177.584 0.012 0.000 1.175 307 A CA 1.889 53.915 52.037 -0.018 0.000 0.627 307 A CB -0.879 18.094 19.000 -0.045 0.000 0.815 307 A HN 1.027 nan 8.150 nan 0.000 0.443 308 A N -0.596 122.270 122.820 0.076 0.000 1.930 308 A HA 0.051 4.371 4.320 -0.000 0.000 0.217 308 A C 2.156 179.873 177.584 0.222 0.000 1.175 308 A CA 1.676 53.845 52.037 0.220 0.000 0.627 308 A CB -0.714 18.429 19.000 0.239 0.000 0.815 308 A HN 0.366 nan 8.150 nan 0.000 0.443 309 V N 0.088 120.073 119.914 0.118 0.000 2.548 309 V HA -0.145 3.975 4.120 -0.000 0.000 0.249 309 V C 2.476 178.568 176.094 -0.003 0.000 1.055 309 V CA 1.786 64.131 62.300 0.075 0.000 1.065 309 V CB -0.602 31.250 31.823 0.048 0.000 0.681 309 V HN 0.480 nan 8.190 nan 0.000 0.462 310 E N -0.022 120.162 120.200 -0.026 0.000 2.047 310 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 310 E C 2.112 178.628 176.600 -0.139 0.000 0.987 310 E CA 1.067 57.425 56.400 -0.070 0.000 0.799 310 E CB -0.289 29.375 29.700 -0.060 0.000 0.752 310 E HN 0.419 nan 8.360 nan 0.000 0.449 311 L N -0.447 120.659 121.223 -0.196 0.000 2.156 311 L HA -0.023 4.317 4.340 -0.000 0.000 0.208 311 L C 0.335 176.770 176.870 -0.725 0.000 1.095 311 L CA 1.249 55.820 54.840 -0.449 0.000 0.770 311 L CB 0.074 41.816 42.059 -0.528 0.000 0.914 311 L HN -0.098 nan 8.230 nan 0.000 0.439 312 F N -0.605 119.169 119.950 -0.293 0.000 2.564 312 F HA 0.383 4.910 4.527 -0.000 0.000 0.361 312 F C -1.668 173.879 175.800 -0.423 0.000 1.161 312 F CA -1.981 55.687 58.000 -0.553 0.000 1.198 312 F CB 0.528 38.806 39.000 -1.205 0.000 1.424 312 F HN -0.124 nan 8.300 nan 0.000 0.517 313 P HA -0.198 nan 4.420 nan 0.000 0.218 313 P C 2.047 179.297 177.300 -0.084 0.000 1.146 313 P CA 1.303 64.345 63.100 -0.096 0.000 0.813 313 P CB 0.408 32.052 31.700 -0.094 0.000 0.778 314 I N -2.108 118.377 120.570 -0.142 0.000 2.756 314 I HA -0.177 3.992 4.170 -0.000 0.000 0.262 314 I C 0.988 177.133 176.117 0.045 0.000 1.225 314 I CA 0.983 62.232 61.300 -0.085 0.000 1.472 314 I CB -0.089 37.847 38.000 -0.106 0.000 1.094 314 I HN -0.163 nan 8.210 nan 0.000 0.454 315 F N 1.018 120.904 119.950 -0.108 0.000 2.780 315 F HA 0.155 4.682 4.527 -0.000 0.000 0.299 315 F C 2.466 178.176 175.800 -0.150 0.000 1.146 315 F CA 0.158 58.058 58.000 -0.168 0.000 1.428 315 F CB -1.600 37.321 39.000 -0.132 0.000 1.115 315 F HN 0.088 nan 8.300 nan 0.000 0.583 316 A N 0.847 123.705 122.820 0.064 0.000 1.896 316 A HA -0.242 4.078 4.320 -0.000 0.000 0.220 316 A C 2.113 179.658 177.584 -0.066 0.000 1.206 316 A CA 1.725 53.764 52.037 0.003 0.000 0.647 316 A CB -0.568 18.426 19.000 -0.011 0.000 0.828 316 A HN 0.341 nan 8.150 nan 0.000 0.455 317 R N -0.853 119.576 120.500 -0.119 0.000 2.609 317 R HA 0.450 4.790 4.340 -0.000 0.000 0.326 317 R C 0.126 176.160 176.300 -0.444 0.000 1.090 317 R CA 0.253 56.206 56.100 -0.244 0.000 1.072 317 R CB 0.141 30.372 30.300 -0.115 0.000 1.330 317 R HN 0.476 nan 8.270 nan 0.000 0.572 318 A N 0.663 123.270 122.820 -0.356 0.000 2.304 318 A HA 0.371 4.691 4.320 -0.000 0.000 0.271 318 A C -0.687 176.724 177.584 -0.288 0.000 1.091 318 A CA -0.236 51.621 52.037 -0.301 0.000 0.812 318 A CB 0.282 19.073 19.000 -0.348 0.000 1.056 318 A HN 0.376 nan 8.150 nan 0.000 0.489 319 H N -0.839 118.360 119.070 0.215 0.000 2.572 319 H HA 0.462 5.018 4.556 -0.000 0.000 0.359 319 H C -0.565 174.832 175.328 0.115 0.000 1.134 319 H CA -0.742 55.392 56.048 0.142 0.000 1.187 319 H CB 1.548 31.391 29.762 0.136 0.000 1.597 319 H HN 0.360 nan 8.280 nan 0.000 0.524 320 V N 3.556 123.597 119.914 0.212 0.000 2.521 320 V HA -0.066 4.054 4.120 -0.000 0.000 0.286 320 V C 0.717 176.913 176.094 0.170 0.000 1.034 320 V CA 0.218 62.616 62.300 0.163 0.000 1.045 320 V CB 0.764 32.688 31.823 0.168 0.000 0.974 320 V HN 0.643 nan 8.190 nan 0.000 0.480 321 L N 5.088 126.402 121.223 0.152 0.000 2.388 321 L HA 0.444 4.783 4.340 -0.000 0.000 0.209 321 L C 0.885 177.839 176.870 0.139 0.000 1.061 321 L CA 1.112 56.028 54.840 0.127 0.000 0.834 321 L CB 0.055 42.177 42.059 0.105 0.000 1.029 321 L HN 0.684 nan 8.230 nan 0.000 0.473 322 R N -0.737 119.878 120.500 0.191 0.000 2.594 322 R HA 0.462 4.802 4.340 -0.000 0.000 0.265 322 R C -1.458 175.036 176.300 0.323 0.000 1.070 322 R CA 0.147 56.394 56.100 0.245 0.000 0.909 322 R CB 1.303 31.755 30.300 0.255 0.000 1.243 322 R HN 0.192 nan 8.270 nan 0.000 0.455 323 T N -0.094 114.637 114.554 0.294 0.000 2.924 323 T HA 0.848 5.198 4.350 -0.000 0.000 0.291 323 T C -0.765 174.146 174.700 0.352 0.000 1.045 323 T CA -0.608 61.606 62.100 0.191 0.000 1.015 323 T CB 1.392 70.338 68.868 0.129 0.000 1.103 323 T HN 0.716 nan 8.240 nan 0.000 0.496 324 W N -0.072 121.277 121.300 0.081 0.000 2.874 324 W HA 0.809 5.469 4.660 -0.000 0.000 0.403 324 W C -0.883 175.673 176.519 0.060 0.000 1.144 324 W CA -0.946 56.443 57.345 0.075 0.000 1.175 324 W CB 0.558 30.065 29.460 0.077 0.000 1.483 324 W HN 1.040 nan 8.180 nan 0.000 0.591 325 G N -0.535 108.460 108.800 0.325 0.000 2.682 325 G HA2 0.680 4.640 3.960 -0.000 0.000 0.290 325 G HA3 0.680 4.640 3.960 -0.000 0.000 0.290 325 G C -1.297 173.758 174.900 0.257 0.000 1.425 325 G CA -0.175 45.019 45.100 0.155 0.000 0.807 325 G HN 1.330 nan 8.290 nan 0.000 0.482 326 G N -1.550 107.332 108.800 0.137 0.000 3.086 326 G HA2 0.624 4.584 3.960 -0.000 0.000 0.282 326 G HA3 0.624 4.584 3.960 -0.000 0.000 0.282 326 G C -1.426 173.494 174.900 0.034 0.000 1.343 326 G CA -0.780 44.385 45.100 0.109 0.000 0.895 326 G HN 0.703 nan 8.290 nan 0.000 0.557 327 I N 1.470 122.041 120.570 0.003 0.000 2.466 327 I HA 0.308 4.478 4.170 -0.000 0.000 0.279 327 I C -0.189 175.883 176.117 -0.075 0.000 1.033 327 I CA -0.920 60.330 61.300 -0.083 0.000 1.123 327 I CB 1.721 39.645 38.000 -0.126 0.000 1.237 327 I HN 0.328 nan 8.210 nan 0.000 0.460 328 V N 2.421 122.298 119.914 -0.062 0.000 2.439 328 V HA 0.483 4.603 4.120 -0.000 0.000 0.282 328 V C -0.270 175.811 176.094 -0.022 0.000 1.039 328 V CA -0.535 61.758 62.300 -0.011 0.000 0.913 328 V CB 1.470 33.312 31.823 0.033 0.000 0.983 328 V HN 0.689 nan 8.190 nan 0.000 0.460 329 D N 3.378 123.782 120.400 0.007 0.000 2.380 329 D HA 0.318 4.958 4.640 -0.000 0.000 0.230 329 D C 0.340 176.681 176.300 0.069 0.000 1.154 329 D CA -0.076 53.929 54.000 0.008 0.000 0.859 329 D CB 1.393 42.208 40.800 0.025 0.000 1.045 329 D HN 0.802 nan 8.370 nan 0.000 0.495 330 T N -0.474 114.131 114.554 0.086 0.000 2.925 330 T HA 0.628 4.978 4.350 -0.000 0.000 0.285 330 T C 0.479 175.234 174.700 0.091 0.000 1.021 330 T CA -0.721 61.450 62.100 0.117 0.000 1.042 330 T CB 1.703 70.668 68.868 0.162 0.000 1.037 330 T HN 0.458 nan 8.240 nan 0.000 0.481 331 T N 0.266 114.881 114.554 0.102 0.000 2.948 331 T HA 0.404 4.754 4.350 -0.000 0.000 0.285 331 T C 1.552 176.334 174.700 0.137 0.000 1.019 331 T CA -1.176 60.977 62.100 0.090 0.000 1.013 331 T CB 1.053 70.026 68.868 0.175 0.000 1.117 331 T HN 0.446 nan 8.240 nan 0.000 0.533 332 M N 1.470 121.148 119.600 0.130 0.000 2.279 332 M HA -0.036 4.444 4.480 -0.000 0.000 0.264 332 M C 1.170 177.594 176.300 0.207 0.000 1.062 332 M CA 1.501 56.912 55.300 0.185 0.000 1.099 332 M CB -1.083 31.620 32.600 0.170 0.000 1.394 332 M HN 0.866 nan 8.290 nan 0.000 0.426 333 D N -1.139 119.371 120.400 0.184 0.000 2.395 333 D HA 0.308 4.948 4.640 -0.000 0.000 0.213 333 D C 0.702 176.922 176.300 -0.133 0.000 1.110 333 D CA 0.577 54.569 54.000 -0.013 0.000 0.835 333 D CB -0.159 40.672 40.800 0.051 0.000 0.965 333 D HN 0.195 nan 8.370 nan 0.000 0.505 334 A N -0.723 122.089 122.820 -0.012 0.000 2.860 334 A HA -0.160 4.160 4.320 -0.000 0.000 0.267 334 A C 0.326 177.958 177.584 0.080 0.000 1.421 334 A CA 0.874 52.939 52.037 0.047 0.000 0.831 334 A CB -2.311 16.692 19.000 0.004 0.000 1.041 334 A HN 0.297 nan 8.150 nan 0.000 0.623 335 S N 0.800 116.547 115.700 0.079 0.000 2.532 335 S HA 0.761 5.231 4.470 -0.000 0.000 0.301 335 S C -2.114 172.414 174.600 -0.121 0.000 1.083 335 S CA -0.875 57.340 58.200 0.025 0.000 1.025 335 S CB 2.178 65.510 63.200 0.220 0.000 1.056 335 S HN 0.460 nan 8.310 nan 0.000 0.494 336 P HA 0.340 nan 4.420 nan 0.000 0.275 336 P C -1.039 176.065 177.300 -0.326 0.000 1.266 336 P CA -0.320 62.323 63.100 -0.762 0.000 0.793 336 P CB 0.618 31.070 31.700 -2.079 0.000 1.074 337 I N 1.013 121.465 120.570 -0.196 0.000 2.439 337 I HA 0.364 4.533 4.170 -0.000 0.000 0.283 337 I C -0.141 176.007 176.117 0.052 0.000 1.023 337 I CA -0.456 60.869 61.300 0.042 0.000 1.100 337 I CB 0.984 39.075 38.000 0.150 0.000 1.238 337 I HN 0.117 nan 8.210 nan 0.000 0.445 338 I N 6.131 126.745 120.570 0.074 0.000 2.563 338 I HA 0.381 4.551 4.170 -0.000 0.000 0.276 338 I C -0.050 176.141 176.117 0.122 0.000 1.074 338 I CA -0.052 61.316 61.300 0.114 0.000 1.124 338 I CB 0.978 39.034 38.000 0.093 0.000 1.225 338 I HN 0.601 nan 8.210 nan 0.000 0.482 339 S N 3.765 119.543 115.700 0.130 0.000 2.757 339 S HA 0.588 5.057 4.470 -0.000 0.000 0.285 339 S C -0.909 173.775 174.600 0.141 0.000 1.196 339 S CA -1.154 57.118 58.200 0.120 0.000 0.856 339 S CB 1.608 64.858 63.200 0.083 0.000 1.212 339 S HN 0.357 nan 8.310 nan 0.000 0.516 340 K N 0.798 121.268 120.400 0.115 0.000 2.138 340 K HA 0.591 4.911 4.320 -0.000 0.000 0.251 340 K C 0.190 176.709 176.600 -0.134 0.000 1.015 340 K CA -0.194 56.123 56.287 0.050 0.000 0.917 340 K CB 0.739 33.273 32.500 0.056 0.000 1.021 340 K HN 0.838 nan 8.250 nan 0.000 0.485 341 T N -2.696 111.666 114.554 -0.321 0.000 2.926 341 T HA 0.313 4.662 4.350 -0.000 0.000 0.289 341 T C -2.199 172.269 174.700 -0.385 0.000 1.054 341 T CA -2.007 59.790 62.100 -0.505 0.000 1.015 341 T CB 1.479 69.695 68.868 -1.086 0.000 1.167 341 T HN 0.187 nan 8.240 nan 0.000 0.526 342 P HA 0.142 nan 4.420 nan 0.000 0.226 342 P C -0.075 177.108 177.300 -0.194 0.000 1.146 342 P CA 0.581 63.568 63.100 -0.189 0.000 0.773 342 P CB -0.009 31.632 31.700 -0.098 0.000 0.772 343 I N 0.049 120.442 120.570 -0.295 0.000 2.331 343 I HA 0.200 4.370 4.170 -0.000 0.000 0.292 343 I C 0.676 176.630 176.117 -0.271 0.000 0.998 343 I CA -1.407 59.749 61.300 -0.241 0.000 1.267 343 I CB 0.587 38.435 38.000 -0.253 0.000 1.386 343 I HN -0.099 nan 8.210 nan 0.000 0.476 344 Q N 5.737 125.422 119.800 -0.193 0.000 2.337 344 Q HA 0.043 4.383 4.340 -0.000 0.000 0.270 344 Q C 0.249 176.103 176.000 -0.243 0.000 1.002 344 Q CA 0.789 56.478 55.803 -0.191 0.000 0.888 344 Q CB 0.268 28.940 28.738 -0.109 0.000 1.222 344 Q HN 0.531 nan 8.270 nan 0.000 0.400 345 N N 0.678 119.177 118.700 -0.335 0.000 2.828 345 N HA -0.219 4.521 4.740 -0.000 0.000 0.248 345 N C -1.466 173.701 175.510 -0.571 0.000 1.044 345 N CA 1.029 53.858 53.050 -0.367 0.000 0.851 345 N CB -1.284 37.137 38.487 -0.110 0.000 1.136 345 N HN 0.467 nan 8.380 nan 0.000 0.572 346 L N 0.985 121.772 121.223 -0.727 0.000 2.319 346 L HA 0.517 4.856 4.340 -0.000 0.000 0.281 346 L C -1.023 175.403 176.870 -0.740 0.000 1.005 346 L CA -0.886 53.615 54.840 -0.564 0.000 0.828 346 L CB 0.581 42.396 42.059 -0.406 0.000 1.227 346 L HN 0.061 nan 8.230 nan 0.000 0.415 347 Y N 3.607 123.863 120.300 -0.073 0.000 2.487 347 Y HA 0.763 5.313 4.550 -0.000 0.000 0.337 347 Y C -0.266 175.634 175.900 -0.000 0.000 1.076 347 Y CA -0.889 57.180 58.100 -0.051 0.000 1.115 347 Y CB 2.070 40.523 38.460 -0.011 0.000 1.235 347 Y HN 0.371 nan 8.280 nan 0.000 0.468 348 V N 2.260 122.281 119.914 0.178 0.000 2.760 348 V HA 0.562 4.682 4.120 -0.000 0.000 0.309 348 V C -1.736 174.480 176.094 0.203 0.000 1.077 348 V CA -0.586 61.831 62.300 0.194 0.000 0.910 348 V CB 2.022 33.985 31.823 0.234 0.000 1.008 348 V HN 0.895 nan 8.190 nan 0.000 0.424 349 N N 4.981 123.814 118.700 0.222 0.000 2.448 349 N HA 0.811 5.551 4.740 -0.000 0.000 0.279 349 N C -0.778 174.913 175.510 0.302 0.000 1.025 349 N CA 0.132 53.346 53.050 0.272 0.000 0.898 349 N CB 1.521 40.181 38.487 0.288 0.000 1.303 349 N HN 1.120 nan 8.380 nan 0.000 0.495 350 C N 0.333 119.809 119.300 0.294 0.000 3.260 350 C HA 0.881 5.341 4.460 -0.000 0.000 0.366 350 C C 1.255 176.346 174.990 0.168 0.000 1.537 350 C CA -0.119 59.061 59.018 0.270 0.000 1.160 350 C CB 0.663 28.511 27.740 0.180 0.000 1.760 350 C HN 1.078 nan 8.230 nan 0.000 0.432 351 G N -0.512 108.370 108.800 0.136 0.000 2.168 351 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.263 351 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.263 351 G C 0.207 175.122 174.900 0.025 0.000 0.977 351 G CA 1.012 46.149 45.100 0.062 0.000 0.659 351 G HN 1.167 nan 8.290 nan 0.000 0.533 352 W N 0.708 122.049 121.300 0.069 0.000 2.595 352 W HA 0.340 5.000 4.660 -0.000 0.000 0.257 352 W C 2.262 178.840 176.519 0.097 0.000 1.267 352 W CA 1.432 58.827 57.345 0.084 0.000 1.300 352 W CB -0.156 29.381 29.460 0.130 0.000 1.120 352 W HN 0.960 nan 8.180 nan 0.000 0.618 353 G N 1.041 109.995 108.800 0.256 0.000 2.690 353 G HA2 -0.525 3.435 3.960 -0.000 0.000 0.334 353 G HA3 -0.525 3.435 3.960 -0.000 0.000 0.334 353 G C 1.119 176.124 174.900 0.176 0.000 1.250 353 G CA 2.418 47.626 45.100 0.180 0.000 0.994 353 G HN 0.350 nan 8.290 nan 0.000 0.549 354 T N -1.557 113.093 114.554 0.159 0.000 3.129 354 T HA 0.472 4.822 4.350 -0.000 0.000 0.251 354 T C 1.513 176.319 174.700 0.177 0.000 1.117 354 T CA 1.288 63.462 62.100 0.124 0.000 1.034 354 T CB 0.424 69.325 68.868 0.055 0.000 0.968 354 T HN 1.774 nan 8.240 nan 0.000 0.526 355 G N -0.211 108.761 108.800 0.287 0.000 4.432 355 G HA2 0.501 4.461 3.960 -0.000 0.000 0.294 355 G HA3 0.501 4.461 3.960 -0.000 0.000 0.294 355 G C 0.911 176.117 174.900 0.511 0.000 1.141 355 G CA -0.061 45.259 45.100 0.367 0.000 0.895 355 G HN 0.434 nan 8.290 nan 0.000 0.548 356 G N 0.189 109.242 108.800 0.422 0.000 2.623 356 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.214 356 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.214 356 G C 1.250 176.267 174.900 0.194 0.000 1.138 356 G CA 0.368 45.626 45.100 0.263 0.000 0.794 356 G HN 0.350 nan 8.290 nan 0.000 0.535 357 F N 2.911 122.944 119.950 0.139 0.000 2.102 357 F HA -0.092 4.435 4.527 -0.000 0.000 0.298 357 F C 2.754 178.732 175.800 0.297 0.000 1.105 357 F CA 1.949 60.053 58.000 0.174 0.000 1.239 357 F CB -0.095 39.001 39.000 0.160 0.000 0.991 357 F HN 0.247 nan 8.300 nan 0.000 0.474 358 K N -0.420 120.103 120.400 0.204 0.000 2.209 358 K HA -0.023 4.296 4.320 -0.000 0.000 0.204 358 K C 1.885 178.676 176.600 0.318 0.000 1.048 358 K CA 1.497 57.914 56.287 0.217 0.000 0.940 358 K CB -1.092 31.581 32.500 0.289 0.000 0.729 358 K HN 0.342 nan 8.250 nan 0.000 0.451 359 G N 0.656 109.508 108.800 0.086 0.000 3.233 359 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.227 359 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.227 359 G C 0.819 175.281 174.900 -0.730 0.000 1.175 359 G CA -0.027 44.867 45.100 -0.342 0.000 0.781 359 G HN 0.246 nan 8.290 nan 0.000 0.542 360 T N 2.189 116.448 114.554 -0.491 0.000 2.652 360 T HA -0.112 4.238 4.350 -0.000 0.000 0.267 360 T C 0.135 174.433 174.700 -0.670 0.000 1.039 360 T CA 1.588 63.322 62.100 -0.610 0.000 1.153 360 T CB -0.617 68.020 68.868 -0.386 0.000 0.863 360 T HN 0.247 nan 8.240 nan 0.000 0.428 361 P HA 0.008 nan 4.420 nan 0.000 0.215 361 P C 1.744 178.786 177.300 -0.431 0.000 1.157 361 P CA 1.113 63.953 63.100 -0.434 0.000 0.863 361 P CB -0.458 30.869 31.700 -0.622 0.000 0.787 362 G N -0.190 108.342 108.800 -0.447 0.000 2.422 362 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.218 362 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.218 362 G C 1.611 176.310 174.900 -0.336 0.000 1.140 362 G CA 0.875 45.743 45.100 -0.388 0.000 0.775 362 G HN 0.303 nan 8.290 nan 0.000 0.545 363 A N 0.914 123.425 122.820 -0.516 0.000 1.873 363 A HA 0.193 4.513 4.320 -0.000 0.000 0.215 363 A C 2.700 180.094 177.584 -0.316 0.000 1.186 363 A CA 2.038 53.784 52.037 -0.486 0.000 0.616 363 A CB -1.035 17.161 19.000 -1.341 0.000 0.823 363 A HN 0.476 nan 8.150 nan 0.000 0.442 364 G N -2.036 106.554 108.800 -0.351 0.000 2.408 364 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.217 364 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.217 364 G C 1.548 176.412 174.900 -0.061 0.000 1.150 364 G CA 1.165 46.189 45.100 -0.127 0.000 0.776 364 G HN 0.561 nan 8.290 nan 0.000 0.542 365 Y N 2.315 122.320 120.300 -0.492 0.000 2.114 365 Y HA -0.228 4.321 4.550 -0.000 0.000 0.284 365 Y C 3.291 179.032 175.900 -0.265 0.000 1.143 365 Y CA 2.763 60.474 58.100 -0.648 0.000 1.135 365 Y CB -0.360 37.572 38.460 -0.881 0.000 0.980 365 Y HN 0.289 nan 8.280 nan 0.000 0.499 366 T N -1.414 113.120 114.554 -0.033 0.000 2.867 366 T HA -0.189 4.161 4.350 -0.000 0.000 0.268 366 T C 1.763 176.467 174.700 0.007 0.000 1.057 366 T CA 1.269 63.342 62.100 -0.044 0.000 1.136 366 T CB -0.787 68.038 68.868 -0.071 0.000 0.874 366 T HN 0.317 nan 8.240 nan 0.000 0.466 367 L N 1.630 122.846 121.223 -0.012 0.000 2.109 367 L HA 0.394 4.734 4.340 -0.000 0.000 0.207 367 L C 2.785 179.625 176.870 -0.051 0.000 1.086 367 L CA 1.508 56.340 54.840 -0.013 0.000 0.760 367 L CB -1.206 40.857 42.059 0.006 0.000 0.910 367 L HN 0.328 nan 8.230 nan 0.000 0.437 368 A N -1.336 121.478 122.820 -0.011 0.000 1.902 368 A HA -0.272 4.048 4.320 -0.000 0.000 0.217 368 A C 2.401 179.927 177.584 -0.097 0.000 1.181 368 A CA 1.671 53.712 52.037 0.006 0.000 0.623 368 A CB -1.058 18.032 19.000 0.150 0.000 0.818 368 A HN 0.703 nan 8.150 nan 0.000 0.443 369 H N 0.052 119.066 119.070 -0.093 0.000 2.357 369 H HA -0.084 4.472 4.556 -0.000 0.000 0.301 369 H C 1.907 177.134 175.328 -0.167 0.000 1.082 369 H CA 2.029 58.001 56.048 -0.126 0.000 1.342 369 H CB -0.307 29.467 29.762 0.020 0.000 1.389 369 H HN 0.403 nan 8.280 nan 0.000 0.511 370 T N 1.375 115.945 114.554 0.027 0.000 2.788 370 T HA -0.057 4.293 4.350 -0.000 0.000 0.268 370 T C 2.348 176.767 174.700 -0.468 0.000 1.044 370 T CA 1.255 63.293 62.100 -0.103 0.000 1.139 370 T CB -0.064 68.756 68.868 -0.080 0.000 0.867 370 T HN 0.287 nan 8.240 nan 0.000 0.454 371 I N 1.096 121.315 120.570 -0.584 0.000 2.233 371 I HA -0.103 4.067 4.170 -0.000 0.000 0.243 371 I C 2.926 178.763 176.117 -0.467 0.000 1.093 371 I CA 0.985 61.794 61.300 -0.817 0.000 1.380 371 I CB -0.454 37.271 38.000 -0.459 0.000 1.067 371 I HN 0.181 nan 8.210 nan 0.000 0.413 372 A N 0.101 122.665 122.820 -0.428 0.000 1.902 372 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 372 A C 2.115 179.462 177.584 -0.395 0.000 1.181 372 A CA 1.486 53.255 52.037 -0.446 0.000 0.623 372 A CB -0.908 17.613 19.000 -0.798 0.000 0.818 372 A HN 0.473 nan 8.150 nan 0.000 0.443 373 H N -2.199 116.609 119.070 -0.436 0.000 2.551 373 H HA 0.007 4.563 4.556 -0.000 0.000 0.266 373 H C 0.308 175.542 175.328 -0.156 0.000 0.964 373 H CA 0.646 56.514 56.048 -0.299 0.000 1.180 373 H CB 0.285 29.826 29.762 -0.369 0.000 1.408 373 H HN 0.517 nan 8.280 nan 0.000 0.563 374 D N 1.283 121.660 120.400 -0.037 0.000 2.945 374 D HA -0.198 4.442 4.640 -0.000 0.000 0.225 374 D C -0.107 176.255 176.300 0.103 0.000 1.158 374 D CA 1.175 55.228 54.000 0.088 0.000 0.805 374 D CB -0.976 39.891 40.800 0.112 0.000 1.098 374 D HN 0.659 nan 8.370 nan 0.000 0.426 375 E N -0.621 119.618 120.200 0.065 0.000 2.352 375 E HA 0.399 4.749 4.350 -0.000 0.000 0.280 375 E C -2.786 173.859 176.600 0.075 0.000 0.930 375 E CA -1.848 54.593 56.400 0.068 0.000 0.765 375 E CB 1.948 31.682 29.700 0.057 0.000 1.219 375 E HN -0.090 nan 8.360 nan 0.000 0.434 376 P HA 0.008 nan 4.420 nan 0.000 0.271 376 P C -0.571 176.757 177.300 0.046 0.000 1.218 376 P CA -0.110 63.035 63.100 0.074 0.000 0.780 376 P CB 0.616 32.343 31.700 0.045 0.000 0.901 377 H N 2.430 121.419 119.070 -0.135 0.000 2.745 377 H HA 0.005 4.561 4.556 -0.000 0.000 0.373 377 H C 1.287 176.476 175.328 -0.231 0.000 1.226 377 H CA 0.355 56.106 56.048 -0.496 0.000 1.435 377 H CB 1.034 30.401 29.762 -0.659 0.000 1.461 377 H HN 0.261 nan 8.280 nan 0.000 0.616 378 K N 2.371 122.629 120.400 -0.237 0.000 2.152 378 K HA -0.071 4.249 4.320 -0.000 0.000 0.206 378 K C 2.164 178.835 176.600 0.118 0.000 1.048 378 K CA 1.382 57.642 56.287 -0.046 0.000 0.933 378 K CB -0.408 32.024 32.500 -0.114 0.000 0.721 378 K HN 0.640 nan 8.250 nan 0.000 0.447 379 L N 1.025 122.454 121.223 0.343 0.000 2.156 379 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 379 L C 1.729 178.695 176.870 0.160 0.000 1.095 379 L CA 1.298 56.219 54.840 0.135 0.000 0.770 379 L CB -0.575 41.460 42.059 -0.040 0.000 0.914 379 L HN 0.402 nan 8.230 nan 0.000 0.439 380 N N 0.137 118.927 118.700 0.150 0.000 2.236 380 N HA 0.027 4.767 4.740 -0.000 0.000 0.196 380 N C 1.550 177.137 175.510 0.130 0.000 1.114 380 N CA 0.736 53.934 53.050 0.247 0.000 0.859 380 N CB 0.240 38.812 38.487 0.142 0.000 0.982 380 N HN 0.126 nan 8.380 nan 0.000 0.493 381 A N 2.194 125.023 122.820 0.014 0.000 1.908 381 A HA -0.049 4.271 4.320 -0.000 0.000 0.218 381 A C -0.180 177.291 177.584 -0.187 0.000 1.181 381 A CA 1.257 53.252 52.037 -0.070 0.000 0.627 381 A CB -1.455 17.491 19.000 -0.091 0.000 0.818 381 A HN 0.299 nan 8.150 nan 0.000 0.445 382 P HA -0.022 nan 4.420 nan 0.000 0.230 382 P C 0.037 176.912 177.300 -0.709 0.000 1.158 382 P CA 0.622 63.359 63.100 -0.606 0.000 0.769 382 P CB -0.075 31.160 31.700 -0.774 0.000 0.807 383 F N -0.605 119.250 119.950 -0.159 0.000 2.916 383 F HA 0.412 4.939 4.527 -0.000 0.000 0.294 383 F C 1.181 176.919 175.800 -0.105 0.000 1.189 383 F CA -1.033 56.870 58.000 -0.162 0.000 1.369 383 F CB -0.773 38.109 39.000 -0.197 0.000 0.961 383 F HN -0.180 nan 8.300 nan 0.000 0.508 384 A N -0.011 122.800 122.820 -0.017 0.000 2.286 384 A HA 0.450 4.770 4.320 -0.000 0.000 0.286 384 A C 1.363 178.976 177.584 0.049 0.000 1.097 384 A CA -0.443 51.604 52.037 0.017 0.000 0.821 384 A CB 0.595 19.578 19.000 -0.028 0.000 1.076 384 A HN 0.476 nan 8.150 nan 0.000 0.490 385 L N -0.132 121.157 121.223 0.110 0.000 2.079 385 L HA -0.190 4.149 4.340 -0.000 0.000 0.210 385 L C 2.172 179.159 176.870 0.194 0.000 1.081 385 L CA 1.539 56.506 54.840 0.212 0.000 0.752 385 L CB -0.378 41.775 42.059 0.156 0.000 0.896 385 L HN 0.822 nan 8.230 nan 0.000 0.433 386 E N 0.009 120.250 120.200 0.067 0.000 2.209 386 E HA -0.228 4.122 4.350 -0.000 0.000 0.196 386 E C 2.012 178.599 176.600 -0.021 0.000 0.993 386 E CA 0.857 57.274 56.400 0.029 0.000 0.819 386 E CB -0.300 29.391 29.700 -0.015 0.000 0.745 386 E HN 0.478 nan 8.360 nan 0.000 0.477 387 R N 0.086 120.507 120.500 -0.132 0.000 2.159 387 R HA -0.138 4.202 4.340 -0.000 0.000 0.237 387 R C 1.337 177.456 176.300 -0.303 0.000 1.131 387 R CA 1.372 57.310 56.100 -0.270 0.000 0.982 387 R CB -0.668 29.375 30.300 -0.428 0.000 0.868 387 R HN 0.184 nan 8.270 nan 0.000 0.453 388 F N 1.424 121.376 119.950 0.003 0.000 2.456 388 F HA 0.085 4.612 4.527 -0.000 0.000 0.298 388 F C 2.507 178.310 175.800 0.005 0.000 1.104 388 F CA 0.942 58.947 58.000 0.008 0.000 1.435 388 F CB -0.093 38.918 39.000 0.018 0.000 1.078 388 F HN 0.155 nan 8.300 nan 0.000 0.546 389 E N 0.080 120.361 120.200 0.136 0.000 2.102 389 E HA -0.130 4.220 4.350 -0.000 0.000 0.190 389 E C 2.222 178.842 176.600 0.034 0.000 0.971 389 E CA 1.421 57.870 56.400 0.081 0.000 0.821 389 E CB 0.006 29.745 29.700 0.064 0.000 0.777 389 E HN 0.364 nan 8.360 nan 0.000 0.460 390 T N -2.969 111.588 114.554 0.004 0.000 2.951 390 T HA 0.088 4.438 4.350 -0.000 0.000 0.268 390 T C 1.559 176.251 174.700 -0.014 0.000 1.073 390 T CA 1.057 63.150 62.100 -0.012 0.000 1.134 390 T CB 0.164 69.013 68.868 -0.032 0.000 0.884 390 T HN 0.349 nan 8.240 nan 0.000 0.479 391 G N 0.701 109.487 108.800 -0.022 0.000 2.176 391 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.232 391 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.232 391 G C 0.070 174.915 174.900 -0.091 0.000 0.986 391 G CA 0.155 45.231 45.100 -0.039 0.000 0.643 391 G HN 0.791 nan 8.290 nan 0.000 0.522 392 H N 0.974 119.926 119.070 -0.196 0.000 2.923 392 H HA 0.546 5.101 4.556 -0.000 0.000 0.251 392 H C 0.148 175.271 175.328 -0.342 0.000 1.741 392 H CA -0.240 55.655 56.048 -0.255 0.000 1.387 392 H CB -0.308 29.304 29.762 -0.249 0.000 1.740 392 H HN 0.189 nan 8.280 nan 0.000 0.544 393 L N 4.075 125.120 121.223 -0.296 0.000 2.439 393 L HA 0.246 4.586 4.340 -0.000 0.000 0.261 393 L C 0.643 177.308 176.870 -0.343 0.000 1.153 393 L CA -0.174 54.486 54.840 -0.299 0.000 0.808 393 L CB 1.017 42.965 42.059 -0.184 0.000 1.126 393 L HN 0.446 nan 8.230 nan 0.000 0.460 394 I N 1.335 121.761 120.570 -0.241 0.000 2.503 394 I HA 0.159 4.329 4.170 -0.000 0.000 0.277 394 I C -0.601 175.533 176.117 0.027 0.000 1.078 394 I CA -0.534 60.628 61.300 -0.230 0.000 1.184 394 I CB 0.845 38.791 38.000 -0.091 0.000 1.353 394 I HN 0.482 nan 8.210 nan 0.000 0.490 395 D N 4.823 125.270 120.400 0.078 0.000 2.342 395 D HA 0.064 4.704 4.640 -0.000 0.000 0.260 395 D C 0.531 177.062 176.300 0.384 0.000 1.278 395 D CA 0.422 54.530 54.000 0.180 0.000 0.910 395 D CB 0.824 41.736 40.800 0.187 0.000 1.079 395 D HN 0.285 nan 8.370 nan 0.000 0.496 396 E N 2.316 122.633 120.200 0.195 0.000 2.609 396 E HA 0.037 4.387 4.350 -0.000 0.000 0.208 396 E C 0.588 177.299 176.600 0.185 0.000 1.013 396 E CA -0.111 56.444 56.400 0.258 0.000 1.093 396 E CB 0.069 30.005 29.700 0.394 0.000 1.129 396 E HN 0.698 nan 8.360 nan 0.000 0.450 397 H N -0.160 119.020 119.070 0.185 0.000 2.352 397 H HA -0.116 4.439 4.556 -0.000 0.000 0.299 397 H C 2.158 177.537 175.328 0.085 0.000 1.097 397 H CA 1.324 57.448 56.048 0.127 0.000 1.311 397 H CB 0.320 30.149 29.762 0.112 0.000 1.377 397 H HN 0.296 nan 8.280 nan 0.000 0.504 398 G N 0.359 109.270 108.800 0.185 0.000 2.459 398 G HA2 -0.306 3.653 3.960 -0.000 0.000 0.217 398 G HA3 -0.306 3.653 3.960 -0.000 0.000 0.217 398 G C 1.905 176.818 174.900 0.022 0.000 1.183 398 G CA 0.899 46.047 45.100 0.081 0.000 0.776 398 G HN 0.497 nan 8.290 nan 0.000 0.552 399 A N 0.772 123.571 122.820 -0.035 0.000 1.972 399 A HA 0.493 4.813 4.320 -0.000 0.000 0.219 399 A C 1.898 179.351 177.584 -0.218 0.000 1.169 399 A CA 1.591 53.496 52.037 -0.219 0.000 0.635 399 A CB -0.646 18.121 19.000 -0.388 0.000 0.810 399 A HN 0.926 nan 8.150 nan 0.000 0.446 400 A N -0.840 121.986 122.820 0.009 0.000 2.310 400 A HA 0.585 4.905 4.320 -0.000 0.000 0.260 400 A C 0.549 178.148 177.584 0.025 0.000 1.112 400 A CA 0.223 52.304 52.037 0.073 0.000 0.804 400 A CB 0.089 19.208 19.000 0.198 0.000 1.081 400 A HN 1.364 nan 8.150 nan 0.000 0.499 401 A N 0.624 123.419 122.820 -0.043 0.000 2.923 401 A HA 0.535 4.855 4.320 -0.000 0.000 0.343 401 A C -0.073 177.460 177.584 -0.085 0.000 1.199 401 A CA -0.313 51.622 52.037 -0.169 0.000 0.878 401 A CB -0.415 18.151 19.000 -0.723 0.000 1.104 401 A HN 1.295 nan 8.150 nan 0.000 0.483 402 V N 0.000 119.944 119.914 0.049 0.000 2.409 402 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 402 V CA 0.000 62.319 62.300 0.032 0.000 1.235 402 V CB 0.000 31.849 31.823 0.043 0.000 1.184 402 V HN 0.000 nan 8.190 nan 0.000 0.556