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 1w4c_1_T DATA FIRST_RESID 1 DATA SEQUENCE MIHLYDAKSF AKLRAAQYAA FHTDAPGSWF DHTSGVLESV EDGTPVLAIG DATA SEQUENCE VESGDAIVFD KNAQRIVAYK EKSVKAEDGS VSVVQVENGF MKQGHRGWLV DATA SEQUENCE DLTGELVGCS PVVAEFGGHR YASGMVIVTG KGNSGKTPLV HALGEALGGK DATA SEQUENCE DKYATVRFGE PLSGYNTDFN VFVDDIARAM LQHRVIVIDS LKNVIXXXXX DATA SEQUENCE XXXXXXISRG AFDLLSDIGA MAASRGCVVI ASLNPTSNDD KIVELVKEAS DATA SEQUENCE RSNSTSLVIS TDVDGEWQVL TRTGEGLQRL THTLQTSYGE HSVLTIHTSX DATA SEQUENCE XXXXXQASGK AIQTVIKNDE L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.188 176.300 -0.187 0.000 1.140 1 M CA 0.000 55.227 55.300 -0.122 0.000 0.988 1 M CB 0.000 32.493 32.600 -0.178 0.000 1.302 2 I N -0.788 119.650 120.570 -0.221 0.000 2.566 2 I HA 0.647 4.817 4.170 -0.000 0.000 0.303 2 I C -1.100 174.782 176.117 -0.391 0.000 0.983 2 I CA -0.428 60.765 61.300 -0.179 0.000 1.235 2 I CB 1.318 39.268 38.000 -0.083 0.000 1.386 2 I HN 0.580 nan 8.210 nan 0.000 0.494 3 H N 5.489 124.501 119.070 -0.097 0.000 2.622 3 H HA 0.576 5.132 4.556 -0.000 0.000 0.363 3 H C -0.902 174.154 175.328 -0.454 0.000 1.151 3 H CA -0.618 55.264 56.048 -0.277 0.000 1.184 3 H CB 2.521 32.092 29.762 -0.317 0.000 1.643 3 H HN 0.511 nan 8.280 nan 0.000 0.531 4 L N 2.584 123.575 121.223 -0.387 0.000 2.331 4 L HA 0.453 4.793 4.340 -0.000 0.000 0.275 4 L C -1.003 175.578 176.870 -0.481 0.000 1.022 4 L CA -0.754 53.899 54.840 -0.313 0.000 0.812 4 L CB 0.896 42.878 42.059 -0.128 0.000 1.257 4 L HN 0.471 nan 8.230 nan 0.000 0.435 5 Y N -0.482 119.876 120.300 0.097 0.000 2.625 5 Y HA 0.478 5.028 4.550 0.000 0.000 0.338 5 Y C -0.763 175.179 175.900 0.071 0.000 1.123 5 Y CA -1.399 56.767 58.100 0.111 0.000 1.046 5 Y CB 1.802 40.366 38.460 0.173 0.000 1.299 5 Y HN 0.659 nan 8.280 nan 0.000 0.464 6 D N -0.821 119.746 120.400 0.279 0.000 2.592 6 D HA 0.602 5.242 4.640 -0.000 0.000 0.263 6 D C 0.566 176.971 176.300 0.174 0.000 1.132 6 D CA -0.445 53.649 54.000 0.158 0.000 0.996 6 D CB 0.959 41.825 40.800 0.110 0.000 1.442 6 D HN 0.611 nan 8.370 nan 0.000 0.486 7 A N 0.270 123.158 122.820 0.114 0.000 1.903 7 A HA -0.277 4.043 4.320 -0.000 0.000 0.219 7 A C 1.797 179.475 177.584 0.156 0.000 1.191 7 A CA 2.011 54.124 52.037 0.127 0.000 0.638 7 A CB -0.853 18.193 19.000 0.077 0.000 0.823 7 A HN 0.581 nan 8.150 nan 0.000 0.451 8 K N -0.014 120.458 120.400 0.119 0.000 2.002 8 K HA -0.126 4.194 4.320 -0.000 0.000 0.209 8 K C 2.494 179.162 176.600 0.114 0.000 1.048 8 K CA 1.721 58.066 56.287 0.097 0.000 0.930 8 K CB -0.299 32.245 32.500 0.073 0.000 0.714 8 K HN 0.678 nan 8.250 nan 0.000 0.438 9 S N 0.919 116.718 115.700 0.166 0.000 2.382 9 S HA -0.176 4.294 4.470 -0.000 0.000 0.228 9 S C 1.936 176.651 174.600 0.192 0.000 1.027 9 S CA 0.875 59.199 58.200 0.207 0.000 0.991 9 S CB -0.593 62.789 63.200 0.302 0.000 0.823 9 S HN 0.284 nan 8.310 nan 0.000 0.469 10 F N 3.166 123.127 119.950 0.019 0.000 2.102 10 F HA 0.112 4.639 4.527 -0.000 0.000 0.298 10 F C 2.575 178.297 175.800 -0.128 0.000 1.105 10 F CA 0.745 58.625 58.000 -0.200 0.000 1.239 10 F CB -1.001 37.889 39.000 -0.184 0.000 0.991 10 F HN 0.272 nan 8.300 nan 0.000 0.474 11 A N 0.219 123.004 122.820 -0.059 0.000 1.940 11 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 11 A C 2.277 179.763 177.584 -0.164 0.000 1.176 11 A CA 1.892 53.847 52.037 -0.135 0.000 0.631 11 A CB -0.687 18.309 19.000 -0.007 0.000 0.814 11 A HN 0.467 nan 8.150 nan 0.000 0.446 12 K N -0.985 119.360 120.400 -0.092 0.000 2.057 12 K HA -0.097 4.223 4.320 -0.000 0.000 0.206 12 K C 1.952 178.489 176.600 -0.105 0.000 1.050 12 K CA 1.300 57.548 56.287 -0.064 0.000 0.935 12 K CB -0.392 32.105 32.500 -0.006 0.000 0.715 12 K HN 0.407 nan 8.250 nan 0.000 0.439 13 L N 1.684 122.805 121.223 -0.170 0.000 1.989 13 L HA -0.199 4.141 4.340 -0.000 0.000 0.211 13 L C 2.164 178.891 176.870 -0.240 0.000 1.071 13 L CA 1.742 56.462 54.840 -0.200 0.000 0.749 13 L CB -0.340 41.527 42.059 -0.321 0.000 0.890 13 L HN 0.045 nan 8.230 nan 0.000 0.431 14 R N -0.085 120.168 120.500 -0.412 0.000 2.091 14 R HA -0.095 4.245 4.340 -0.000 0.000 0.238 14 R C 2.204 178.446 176.300 -0.096 0.000 1.136 14 R CA 1.424 57.341 56.100 -0.305 0.000 0.959 14 R CB -1.217 28.825 30.300 -0.430 0.000 0.856 14 R HN 0.587 nan 8.270 nan 0.000 0.437 15 A N 0.960 123.721 122.820 -0.098 0.000 1.902 15 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 15 A C 2.388 180.012 177.584 0.067 0.000 1.181 15 A CA 1.828 53.852 52.037 -0.022 0.000 0.623 15 A CB -0.546 18.423 19.000 -0.051 0.000 0.818 15 A HN 0.356 nan 8.150 nan 0.000 0.443 16 A N -0.667 122.171 122.820 0.031 0.000 1.902 16 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 16 A C 2.123 179.774 177.584 0.113 0.000 1.181 16 A CA 1.657 53.735 52.037 0.068 0.000 0.623 16 A CB -0.580 18.443 19.000 0.038 0.000 0.818 16 A HN 0.652 nan 8.150 nan 0.000 0.443 17 Q N -2.007 117.842 119.800 0.081 0.000 2.084 17 Q HA -0.207 4.133 4.340 -0.000 0.000 0.202 17 Q C 2.017 178.102 176.000 0.142 0.000 0.978 17 Q CA 1.805 57.660 55.803 0.085 0.000 0.844 17 Q CB -0.393 28.357 28.738 0.019 0.000 0.898 17 Q HN 0.815 nan 8.270 nan 0.000 0.426 18 Y N 0.931 121.272 120.300 0.069 0.000 2.165 18 Y HA -0.277 4.273 4.550 -0.000 0.000 0.286 18 Y C 2.229 178.270 175.900 0.236 0.000 1.155 18 Y CA 1.499 59.707 58.100 0.180 0.000 1.164 18 Y CB -0.313 38.221 38.460 0.122 0.000 0.978 18 Y HN 0.104 nan 8.280 nan 0.000 0.513 19 A N 0.203 123.229 122.820 0.343 0.000 1.930 19 A HA -0.063 4.257 4.320 -0.000 0.000 0.217 19 A C 2.367 180.037 177.584 0.143 0.000 1.175 19 A CA 1.473 53.654 52.037 0.241 0.000 0.627 19 A CB -1.409 17.701 19.000 0.183 0.000 0.815 19 A HN 0.574 nan 8.150 nan 0.000 0.443 20 A N -1.797 121.113 122.820 0.149 0.000 2.076 20 A HA -0.018 4.302 4.320 -0.000 0.000 0.220 20 A C 1.873 179.493 177.584 0.061 0.000 1.160 20 A CA 1.715 53.842 52.037 0.149 0.000 0.653 20 A CB -0.495 18.611 19.000 0.177 0.000 0.801 20 A HN 0.752 nan 8.150 nan 0.000 0.455 21 F N -1.810 118.047 119.950 -0.156 0.000 2.490 21 F HA 0.173 4.700 4.527 -0.000 0.000 0.280 21 F C 2.292 177.897 175.800 -0.325 0.000 1.030 21 F CA 0.868 58.688 58.000 -0.300 0.000 1.367 21 F CB 0.023 38.726 39.000 -0.495 0.000 1.131 21 F HN 0.258 nan 8.300 nan 0.000 0.632 22 H N -0.766 118.185 119.070 -0.198 0.000 2.403 22 H HA 0.032 4.588 4.556 -0.000 0.000 0.298 22 H C 1.985 177.226 175.328 -0.145 0.000 1.059 22 H CA 2.056 57.958 56.048 -0.243 0.000 1.363 22 H CB -0.336 29.269 29.762 -0.261 0.000 1.410 22 H HN 0.391 nan 8.280 nan 0.000 0.528 23 T N -2.522 112.069 114.554 0.061 0.000 2.964 23 T HA 0.046 4.396 4.350 -0.000 0.000 0.249 23 T C 0.583 175.293 174.700 0.018 0.000 1.000 23 T CA -0.362 61.768 62.100 0.050 0.000 0.992 23 T CB 0.215 69.144 68.868 0.101 0.000 1.087 23 T HN -0.118 nan 8.240 nan 0.000 0.489 24 D N 2.672 123.085 120.400 0.023 0.000 2.406 24 D HA 0.467 5.107 4.640 -0.000 0.000 0.234 24 D C 0.276 176.580 176.300 0.007 0.000 1.196 24 D CA 0.384 54.404 54.000 0.033 0.000 0.881 24 D CB 0.479 41.325 40.800 0.076 0.000 1.205 24 D HN 0.600 nan 8.370 nan 0.000 0.453 25 A N 2.189 125.024 122.820 0.025 0.000 2.409 25 A HA 0.382 4.702 4.320 -0.000 0.000 0.262 25 A C -2.166 175.435 177.584 0.028 0.000 1.113 25 A CA -1.156 50.892 52.037 0.019 0.000 0.790 25 A CB -0.044 18.974 19.000 0.030 0.000 1.046 25 A HN 0.308 nan 8.150 nan 0.000 0.496 26 P HA 0.161 nan 4.420 nan 0.000 0.260 26 P C 1.093 178.427 177.300 0.058 0.000 1.172 26 P CA 2.113 65.220 63.100 0.012 0.000 0.760 26 P CB 0.475 32.177 31.700 0.003 0.000 0.773 27 G N 2.801 111.655 108.800 0.090 0.000 2.179 27 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.260 27 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.260 27 G C 1.317 176.351 174.900 0.223 0.000 0.977 27 G CA 0.606 45.797 45.100 0.151 0.000 0.641 27 G HN 0.559 nan 8.290 nan 0.000 0.533 28 S N -1.160 114.651 115.700 0.184 0.000 2.383 28 S HA -0.108 4.362 4.470 -0.000 0.000 0.227 28 S C 1.874 176.618 174.600 0.239 0.000 1.026 28 S CA 1.459 59.763 58.200 0.173 0.000 0.981 28 S CB -0.491 62.776 63.200 0.112 0.000 0.818 28 S HN 0.774 nan 8.310 nan 0.000 0.472 29 W N 1.767 123.117 121.300 0.085 0.000 2.358 29 W HA -0.141 4.519 4.660 0.000 0.000 0.303 29 W C 1.914 178.508 176.519 0.125 0.000 1.208 29 W CA 1.113 58.510 57.345 0.086 0.000 1.274 29 W CB -0.793 28.706 29.460 0.065 0.000 1.138 29 W HN 0.375 nan 8.180 nan 0.000 0.515 30 F N 2.297 122.448 119.950 0.335 0.000 2.069 30 F HA -0.268 4.259 4.527 0.000 0.000 0.298 30 F C 2.123 177.982 175.800 0.099 0.000 1.113 30 F CA 2.614 60.732 58.000 0.197 0.000 1.214 30 F CB -0.871 38.202 39.000 0.123 0.000 0.978 30 F HN -0.273 nan 8.300 nan 0.000 0.474 31 D N -0.859 119.609 120.400 0.112 0.000 2.133 31 D HA -0.258 4.382 4.640 -0.000 0.000 0.195 31 D C 2.338 178.561 176.300 -0.127 0.000 0.997 31 D CA 1.717 55.692 54.000 -0.041 0.000 0.840 31 D CB -0.821 40.025 40.800 0.078 0.000 0.947 31 D HN 0.499 nan 8.370 nan 0.000 0.452 32 H N 0.483 119.462 119.070 -0.151 0.000 2.321 32 H HA -0.113 4.443 4.556 -0.000 0.000 0.300 32 H C 1.906 177.064 175.328 -0.283 0.000 1.087 32 H CA 2.397 58.313 56.048 -0.221 0.000 1.319 32 H CB 0.099 29.689 29.762 -0.286 0.000 1.379 32 H HN 0.235 nan 8.280 nan 0.000 0.501 33 T N -1.937 112.418 114.554 -0.333 0.000 2.915 33 T HA -0.055 4.295 4.350 -0.000 0.000 0.269 33 T C 2.321 176.743 174.700 -0.463 0.000 1.071 33 T CA 1.201 63.052 62.100 -0.414 0.000 1.132 33 T CB -0.472 68.226 68.868 -0.284 0.000 0.878 33 T HN 0.151 nan 8.240 nan 0.000 0.479 34 S N 1.308 116.701 115.700 -0.512 0.000 2.382 34 S HA 0.063 4.533 4.470 -0.000 0.000 0.228 34 S C 2.373 176.775 174.600 -0.331 0.000 1.027 34 S CA 1.109 59.030 58.200 -0.465 0.000 0.991 34 S CB -1.043 61.848 63.200 -0.515 0.000 0.823 34 S HN 0.788 nan 8.310 nan 0.000 0.469 35 G N 1.180 109.775 108.800 -0.341 0.000 2.421 35 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.216 35 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.216 35 G C 1.458 176.181 174.900 -0.294 0.000 1.171 35 G CA 0.993 45.919 45.100 -0.288 0.000 0.775 35 G HN 0.421 nan 8.290 nan 0.000 0.543 36 V N 0.933 120.609 119.914 -0.398 0.000 2.332 36 V HA -0.138 3.982 4.120 -0.000 0.000 0.248 36 V C 2.914 178.877 176.094 -0.218 0.000 1.055 36 V CA 1.478 63.588 62.300 -0.316 0.000 1.038 36 V CB -0.395 31.210 31.823 -0.364 0.000 0.651 36 V HN 0.337 nan 8.190 nan 0.000 0.450 37 L N -0.413 120.671 121.223 -0.232 0.000 2.093 37 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 37 L C 2.538 179.341 176.870 -0.111 0.000 1.085 37 L CA 1.523 56.269 54.840 -0.156 0.000 0.755 37 L CB -0.580 41.380 42.059 -0.165 0.000 0.904 37 L HN 0.388 nan 8.230 nan 0.000 0.435 38 E N -0.275 119.846 120.200 -0.131 0.000 2.204 38 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 38 E C 2.018 178.572 176.600 -0.077 0.000 0.989 38 E CA 1.331 57.673 56.400 -0.096 0.000 0.824 38 E CB -0.063 29.575 29.700 -0.104 0.000 0.756 38 E HN 0.467 nan 8.360 nan 0.000 0.477 39 S N 0.320 115.966 115.700 -0.091 0.000 2.650 39 S HA 0.057 4.527 4.470 -0.000 0.000 0.219 39 S C 0.752 175.322 174.600 -0.049 0.000 0.960 39 S CA -0.419 57.739 58.200 -0.070 0.000 0.925 39 S CB -0.077 63.073 63.200 -0.084 0.000 0.775 39 S HN -0.110 nan 8.310 nan 0.000 0.525 40 V N 2.454 122.342 119.914 -0.044 0.000 2.775 40 V HA 0.125 4.245 4.120 -0.000 0.000 0.299 40 V C 1.320 177.410 176.094 -0.006 0.000 1.062 40 V CA -0.209 62.079 62.300 -0.020 0.000 1.063 40 V CB 0.870 32.685 31.823 -0.013 0.000 0.994 40 V HN 0.495 nan 8.190 nan 0.000 0.483 41 E N 1.419 121.625 120.200 0.009 0.000 2.526 41 E HA -0.091 4.259 4.350 -0.000 0.000 0.205 41 E C -0.463 176.152 176.600 0.024 0.000 1.104 41 E CA 0.416 56.827 56.400 0.019 0.000 0.899 41 E CB -0.327 29.393 29.700 0.034 0.000 0.838 41 E HN 0.895 nan 8.360 nan 0.000 0.564 42 D N -1.816 118.596 120.400 0.019 0.000 10.484 42 D HA -0.140 4.500 4.640 -0.000 0.000 0.318 42 D C 0.737 177.062 176.300 0.041 0.000 3.002 42 D CA 1.071 55.084 54.000 0.022 0.000 2.679 42 D CB -0.572 40.237 40.800 0.016 0.000 1.149 42 D HN 0.256 nan 8.370 nan 0.000 0.891 43 G N 1.048 109.871 108.800 0.039 0.000 2.189 43 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.267 43 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.267 43 G C 0.524 175.469 174.900 0.075 0.000 0.975 43 G CA 0.697 45.834 45.100 0.061 0.000 0.644 43 G HN 0.795 nan 8.290 nan 0.000 0.537 44 T N 3.229 117.812 114.554 0.048 0.000 2.794 44 T HA 0.481 4.831 4.350 -0.000 0.000 0.296 44 T C -2.151 172.488 174.700 -0.103 0.000 0.949 44 T CA -0.581 61.523 62.100 0.006 0.000 1.101 44 T CB 1.665 70.556 68.868 0.037 0.000 0.905 44 T HN 0.074 nan 8.240 nan 0.000 0.516 45 P HA 0.087 nan 4.420 nan 0.000 0.267 45 P C 0.698 177.945 177.300 -0.090 0.000 1.205 45 P CA -0.160 62.790 63.100 -0.251 0.000 0.765 45 P CB 0.558 31.982 31.700 -0.460 0.000 0.828 46 V N 1.934 121.852 119.914 0.008 0.000 3.539 46 V HA 0.370 4.490 4.120 -0.000 0.000 0.262 46 V C 0.221 176.426 176.094 0.186 0.000 1.381 46 V CA 0.458 62.840 62.300 0.137 0.000 1.060 46 V CB 0.042 31.991 31.823 0.210 0.000 0.842 46 V HN 0.318 nan 8.190 nan 0.000 0.445 47 L N 1.384 122.626 121.223 0.031 0.000 2.455 47 L HA 0.891 5.231 4.340 -0.000 0.000 0.264 47 L C -1.105 175.710 176.870 -0.091 0.000 0.968 47 L CA -0.305 54.432 54.840 -0.172 0.000 0.827 47 L CB 2.062 43.883 42.059 -0.396 0.000 1.317 47 L HN 0.303 nan 8.230 nan 0.000 0.407 48 A N 5.678 128.400 122.820 -0.164 0.000 2.356 48 A HA 0.779 5.099 4.320 -0.000 0.000 0.310 48 A C -1.489 176.041 177.584 -0.091 0.000 1.075 48 A CA -0.461 51.520 52.037 -0.094 0.000 0.746 48 A CB 1.700 20.622 19.000 -0.130 0.000 1.221 48 A HN 0.706 nan 8.150 nan 0.000 0.443 49 I N 1.560 122.121 120.570 -0.015 0.000 2.769 49 I HA 0.676 4.846 4.170 -0.000 0.000 0.298 49 I C 0.413 176.560 176.117 0.049 0.000 1.128 49 I CA -0.675 60.613 61.300 -0.021 0.000 1.031 49 I CB 2.080 40.035 38.000 -0.074 0.000 1.235 49 I HN 0.769 nan 8.210 nan 0.000 0.423 50 G N 5.771 114.616 108.800 0.076 0.000 2.390 50 G HA2 0.494 4.454 3.960 -0.000 0.000 0.270 50 G HA3 0.494 4.454 3.960 -0.000 0.000 0.270 50 G C -0.260 174.781 174.900 0.236 0.000 1.211 50 G CA -0.332 44.856 45.100 0.147 0.000 0.842 50 G HN 0.620 nan 8.290 nan 0.000 0.519 51 V N 0.660 120.731 119.914 0.262 0.000 3.234 51 V HA 0.479 4.599 4.120 -0.000 0.000 0.317 51 V C 1.497 177.800 176.094 0.349 0.000 1.081 51 V CA -0.373 62.141 62.300 0.356 0.000 1.037 51 V CB 1.413 33.423 31.823 0.312 0.000 1.148 51 V HN 0.854 nan 8.190 nan 0.000 0.453 52 E N 1.029 121.455 120.200 0.377 0.000 2.108 52 E HA -0.275 4.075 4.350 -0.000 0.000 0.203 52 E C 2.084 178.693 176.600 0.015 0.000 1.022 52 E CA 2.488 58.923 56.400 0.059 0.000 0.823 52 E CB -0.181 29.577 29.700 0.096 0.000 0.744 52 E HN 1.028 nan 8.360 nan 0.000 0.456 53 S N -1.737 114.000 115.700 0.061 0.000 2.447 53 S HA -0.002 4.468 4.470 -0.000 0.000 0.233 53 S C 1.631 176.241 174.600 0.018 0.000 1.006 53 S CA 1.095 59.305 58.200 0.016 0.000 0.957 53 S CB 0.347 63.540 63.200 -0.013 0.000 0.773 53 S HN 0.571 nan 8.310 nan 0.000 0.507 54 G N 0.333 109.168 108.800 0.058 0.000 2.231 54 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.206 54 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.206 54 G C -0.268 174.677 174.900 0.076 0.000 0.996 54 G CA 0.010 45.149 45.100 0.066 0.000 0.645 54 G HN 0.513 nan 8.290 nan 0.000 0.498 55 D N 0.807 121.249 120.400 0.070 0.000 2.384 55 D HA 0.666 5.306 4.640 -0.000 0.000 0.244 55 D C 0.678 177.091 176.300 0.188 0.000 1.251 55 D CA 1.012 55.070 54.000 0.096 0.000 0.961 55 D CB 1.178 41.978 40.800 0.000 0.000 1.116 55 D HN 0.870 nan 8.370 nan 0.000 0.484 56 A N 0.136 123.092 122.820 0.227 0.000 2.435 56 A HA 0.673 4.992 4.320 -0.000 0.000 0.304 56 A C -0.386 177.267 177.584 0.115 0.000 1.064 56 A CA -0.766 51.367 52.037 0.159 0.000 0.727 56 A CB 0.865 19.913 19.000 0.080 0.000 1.284 56 A HN 0.506 nan 8.150 nan 0.000 0.415 57 I N -0.509 120.057 120.570 -0.006 0.000 2.607 57 I HA 0.873 5.043 4.170 -0.000 0.000 0.305 57 I C -0.865 175.104 176.117 -0.247 0.000 0.995 57 I CA -1.063 60.098 61.300 -0.232 0.000 1.148 57 I CB 1.808 39.616 38.000 -0.321 0.000 1.323 57 I HN 0.257 nan 8.210 nan 0.000 0.461 58 V N 3.784 123.439 119.914 -0.431 0.000 2.769 58 V HA 0.566 4.686 4.120 -0.000 0.000 0.312 58 V C -0.716 175.033 176.094 -0.574 0.000 1.061 58 V CA -0.400 61.697 62.300 -0.338 0.000 0.931 58 V CB 1.748 33.422 31.823 -0.249 0.000 1.010 58 V HN 0.596 nan 8.190 nan 0.000 0.433 59 F N 1.242 121.101 119.950 -0.151 0.000 2.593 59 F HA 0.638 5.165 4.527 0.000 0.000 0.320 59 F C 0.061 175.805 175.800 -0.094 0.000 1.060 59 F CA -0.988 56.941 58.000 -0.118 0.000 0.940 59 F CB 1.614 40.547 39.000 -0.112 0.000 1.268 59 F HN 0.692 nan 8.300 nan 0.000 0.475 60 D N -0.600 119.875 120.400 0.125 0.000 2.478 60 D HA 0.237 4.877 4.640 -0.000 0.000 0.263 60 D C 0.660 177.016 176.300 0.092 0.000 1.153 60 D CA -0.804 53.234 54.000 0.064 0.000 1.038 60 D CB 0.573 41.389 40.800 0.027 0.000 1.120 60 D HN 0.615 nan 8.370 nan 0.000 0.564 61 K N -0.522 119.914 120.400 0.060 0.000 2.442 61 K HA -0.174 4.146 4.320 -0.000 0.000 0.199 61 K C 0.186 176.806 176.600 0.033 0.000 1.044 61 K CA 1.248 57.565 56.287 0.050 0.000 0.941 61 K CB -0.650 31.858 32.500 0.014 0.000 0.759 61 K HN 0.388 nan 8.250 nan 0.000 0.472 62 N N 0.502 119.225 118.700 0.038 0.000 2.279 62 N HA 0.227 4.967 4.740 -0.000 0.000 0.226 62 N C -0.515 175.021 175.510 0.043 0.000 1.126 62 N CA 0.233 53.298 53.050 0.026 0.000 0.846 62 N CB 0.901 39.399 38.487 0.020 0.000 1.050 62 N HN 0.341 nan 8.380 nan 0.000 0.502 63 A N 0.726 123.586 122.820 0.067 0.000 2.826 63 A HA -0.279 4.041 4.320 -0.000 0.000 0.274 63 A C 0.324 178.044 177.584 0.227 0.000 1.443 63 A CA 0.912 52.997 52.037 0.079 0.000 0.833 63 A CB -1.887 17.095 19.000 -0.030 0.000 1.023 63 A HN 0.579 nan 8.150 nan 0.000 0.600 64 Q N -0.638 119.281 119.800 0.197 0.000 2.271 64 Q HA 0.513 4.854 4.340 -0.000 0.000 0.258 64 Q C 0.287 176.329 176.000 0.070 0.000 0.936 64 Q CA -0.854 55.028 55.803 0.131 0.000 0.909 64 Q CB 0.793 29.561 28.738 0.049 0.000 1.253 64 Q HN 0.569 nan 8.270 nan 0.000 0.440 65 R N 3.854 124.304 120.500 -0.084 0.000 2.491 65 R HA 0.216 4.556 4.340 -0.000 0.000 0.283 65 R C -0.685 175.441 176.300 -0.290 0.000 1.072 65 R CA -0.003 55.832 56.100 -0.442 0.000 1.048 65 R CB 0.418 30.409 30.300 -0.515 0.000 0.983 65 R HN 0.603 nan 8.270 nan 0.000 0.450 66 I N 5.422 125.793 120.570 -0.332 0.000 2.315 66 I HA 0.036 4.206 4.170 -0.000 0.000 0.291 66 I C 0.953 176.948 176.117 -0.203 0.000 1.006 66 I CA -0.244 60.936 61.300 -0.200 0.000 1.265 66 I CB 1.815 39.709 38.000 -0.177 0.000 1.387 66 I HN 0.560 nan 8.210 nan 0.000 0.475 67 V N 6.579 126.414 119.914 -0.132 0.000 2.992 67 V HA 0.373 4.493 4.120 -0.000 0.000 0.250 67 V C 0.724 176.790 176.094 -0.046 0.000 1.090 67 V CA 0.888 63.117 62.300 -0.118 0.000 1.101 67 V CB 0.552 32.318 31.823 -0.096 0.000 0.743 67 V HN 0.763 nan 8.190 nan 0.000 0.468 68 A N -0.533 122.288 122.820 0.001 0.000 2.427 68 A HA 0.727 5.047 4.320 -0.000 0.000 0.298 68 A C -1.761 175.902 177.584 0.132 0.000 1.036 68 A CA -0.423 51.642 52.037 0.047 0.000 0.701 68 A CB 1.316 20.329 19.000 0.023 0.000 1.250 68 A HN 0.544 nan 8.150 nan 0.000 0.412 69 Y N 1.869 122.152 120.300 -0.029 0.000 2.287 69 Y HA 0.382 4.932 4.550 0.000 0.000 0.321 69 Y C -0.473 175.419 175.900 -0.013 0.000 1.173 69 Y CA -0.435 57.651 58.100 -0.023 0.000 1.124 69 Y CB 1.318 39.760 38.460 -0.030 0.000 1.201 69 Y HN 0.705 nan 8.280 nan 0.000 0.421 70 K N 4.133 124.356 120.400 -0.295 0.000 2.382 70 K HA 0.021 4.341 4.320 -0.000 0.000 0.275 70 K C -0.021 176.455 176.600 -0.207 0.000 1.009 70 K CA -0.160 56.003 56.287 -0.206 0.000 0.970 70 K CB 0.621 33.001 32.500 -0.200 0.000 0.934 70 K HN 0.752 nan 8.250 nan 0.000 0.479 71 E N 2.879 123.052 120.200 -0.044 0.000 2.829 71 E HA -0.189 4.161 4.350 -0.000 0.000 0.264 71 E C -0.811 175.783 176.600 -0.010 0.000 0.922 71 E CA 0.903 57.314 56.400 0.018 0.000 0.960 71 E CB 0.462 30.174 29.700 0.019 0.000 0.918 71 E HN 0.368 nan 8.360 nan 0.000 0.497 72 K N 2.719 123.164 120.400 0.075 0.000 2.550 72 K HA 0.302 4.622 4.320 -0.000 0.000 0.252 72 K C -1.648 175.011 176.600 0.099 0.000 0.943 72 K CA -0.635 55.695 56.287 0.071 0.000 0.806 72 K CB 1.710 34.272 32.500 0.103 0.000 1.289 72 K HN 0.449 nan 8.250 nan 0.000 0.435 73 S N 1.343 117.082 115.700 0.065 0.000 2.664 73 S HA 0.701 5.171 4.470 -0.000 0.000 0.304 73 S C -1.204 173.431 174.600 0.058 0.000 1.099 73 S CA -0.736 57.501 58.200 0.063 0.000 1.003 73 S CB 1.923 65.150 63.200 0.045 0.000 1.092 73 S HN 0.352 nan 8.310 nan 0.000 0.525 74 V N 1.774 121.722 119.914 0.057 0.000 2.711 74 V HA 0.436 4.556 4.120 -0.000 0.000 0.304 74 V C -0.609 175.510 176.094 0.042 0.000 1.097 74 V CA -0.798 61.532 62.300 0.050 0.000 0.906 74 V CB 1.987 33.846 31.823 0.059 0.000 1.015 74 V HN 0.791 nan 8.190 nan 0.000 0.427 75 K N 3.016 123.434 120.400 0.030 0.000 2.213 75 K HA 0.825 5.145 4.320 -0.000 0.000 0.270 75 K C 0.028 176.638 176.600 0.017 0.000 1.002 75 K CA -0.183 56.117 56.287 0.022 0.000 0.868 75 K CB 1.630 34.139 32.500 0.015 0.000 1.093 75 K HN 0.911 nan 8.250 nan 0.000 0.454 76 A N 2.716 125.544 122.820 0.012 0.000 2.239 76 A HA 0.184 4.504 4.320 -0.000 0.000 0.303 76 A C 0.834 178.415 177.584 -0.006 0.000 1.114 76 A CA -0.274 51.766 52.037 0.005 0.000 0.871 76 A CB 0.352 19.352 19.000 -0.000 0.000 1.201 76 A HN 0.974 nan 8.150 nan 0.000 0.506 77 E N -0.682 119.511 120.200 -0.011 0.000 2.204 77 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 77 E C 0.609 177.190 176.600 -0.032 0.000 0.989 77 E CA 1.304 57.695 56.400 -0.016 0.000 0.824 77 E CB -0.172 29.521 29.700 -0.011 0.000 0.756 77 E HN 0.601 nan 8.360 nan 0.000 0.477 78 D N 0.451 120.821 120.400 -0.051 0.000 2.309 78 D HA -0.105 4.535 4.640 -0.000 0.000 0.212 78 D C 1.521 177.795 176.300 -0.043 0.000 0.968 78 D CA 1.617 55.574 54.000 -0.070 0.000 0.882 78 D CB -0.137 40.605 40.800 -0.096 0.000 0.918 78 D HN 0.445 nan 8.370 nan 0.000 0.503 79 G N -0.502 108.282 108.800 -0.026 0.000 2.241 79 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.244 79 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.244 79 G C 0.469 175.363 174.900 -0.010 0.000 0.998 79 G CA 0.738 45.829 45.100 -0.015 0.000 0.621 79 G HN 0.705 nan 8.290 nan 0.000 0.519 80 S N -0.198 115.493 115.700 -0.015 0.000 2.593 80 S HA 0.678 5.148 4.470 -0.000 0.000 0.269 80 S C 0.275 174.880 174.600 0.007 0.000 1.334 80 S CA 0.125 58.321 58.200 -0.006 0.000 1.015 80 S CB 2.113 65.303 63.200 -0.016 0.000 0.912 80 S HN 1.928 nan 8.310 nan 0.000 0.541 81 V N -0.646 119.279 119.914 0.019 0.000 2.735 81 V HA 0.885 5.005 4.120 -0.000 0.000 0.310 81 V C -0.259 175.866 176.094 0.051 0.000 1.061 81 V CA -0.600 61.720 62.300 0.033 0.000 0.913 81 V CB 1.409 33.251 31.823 0.031 0.000 1.005 81 V HN 1.196 nan 8.190 nan 0.000 0.428 82 S N 3.272 119.014 115.700 0.069 0.000 2.501 82 S HA 0.918 5.388 4.470 -0.000 0.000 0.301 82 S C -0.629 174.027 174.600 0.095 0.000 1.096 82 S CA -0.691 57.571 58.200 0.103 0.000 1.063 82 S CB 1.620 64.905 63.200 0.141 0.000 1.042 82 S HN 1.275 nan 8.310 nan 0.000 0.494 83 V N 2.062 122.036 119.914 0.100 0.000 2.735 83 V HA 0.684 4.804 4.120 -0.000 0.000 0.310 83 V C -0.770 175.375 176.094 0.085 0.000 1.061 83 V CA -0.713 61.641 62.300 0.090 0.000 0.913 83 V CB 1.867 33.736 31.823 0.076 0.000 1.005 83 V HN 0.875 nan 8.190 nan 0.000 0.428 84 V N 3.640 123.618 119.914 0.107 0.000 2.638 84 V HA 0.645 4.765 4.120 -0.000 0.000 0.306 84 V C -0.640 175.570 176.094 0.192 0.000 1.052 84 V CA -0.430 61.921 62.300 0.086 0.000 0.885 84 V CB 1.753 33.577 31.823 0.001 0.000 0.999 84 V HN 0.960 nan 8.190 nan 0.000 0.424 85 Q N 3.120 123.004 119.800 0.142 0.000 2.280 85 Q HA 0.633 4.973 4.340 -0.000 0.000 0.259 85 Q C -2.298 173.777 176.000 0.125 0.000 0.964 85 Q CA -0.347 55.568 55.803 0.188 0.000 0.844 85 Q CB 2.596 31.403 28.738 0.115 0.000 1.334 85 Q HN 0.584 nan 8.270 nan 0.000 0.423 86 V N 3.276 123.285 119.914 0.157 0.000 2.459 86 V HA 0.558 4.678 4.120 -0.000 0.000 0.295 86 V C -0.621 175.522 176.094 0.081 0.000 1.029 86 V CA -0.542 61.805 62.300 0.078 0.000 0.874 86 V CB 1.711 33.547 31.823 0.020 0.000 0.985 86 V HN 0.784 nan 8.190 nan 0.000 0.438 87 E N 3.867 124.111 120.200 0.073 0.000 2.278 87 E HA 0.382 4.732 4.350 -0.000 0.000 0.272 87 E C -0.029 176.628 176.600 0.096 0.000 0.890 87 E CA -0.570 55.873 56.400 0.072 0.000 0.770 87 E CB 1.074 30.815 29.700 0.068 0.000 1.212 87 E HN 0.738 nan 8.360 nan 0.000 0.415 88 N N 3.336 122.077 118.700 0.068 0.000 2.747 88 N HA -0.242 4.498 4.740 -0.000 0.000 0.249 88 N C 0.486 176.049 175.510 0.089 0.000 1.107 88 N CA 2.091 55.195 53.050 0.089 0.000 0.707 88 N CB -1.129 37.436 38.487 0.130 0.000 1.054 88 N HN 0.947 nan 8.380 nan 0.000 0.555 89 G N -2.924 105.842 108.800 -0.056 0.000 2.176 89 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.253 89 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.253 89 G C 0.009 174.538 174.900 -0.617 0.000 0.979 89 G CA 0.401 45.308 45.100 -0.323 0.000 0.641 89 G HN 0.434 nan 8.290 nan 0.000 0.530 90 F N -0.255 119.667 119.950 -0.047 0.000 2.576 90 F HA 0.682 5.209 4.527 -0.000 0.000 0.313 90 F C 0.545 176.324 175.800 -0.034 0.000 1.078 90 F CA -1.080 56.894 58.000 -0.043 0.000 0.921 90 F CB 1.739 40.726 39.000 -0.022 0.000 1.232 90 F HN 0.083 nan 8.300 nan 0.000 0.459 91 M N 2.884 122.566 119.600 0.137 0.000 2.269 91 M HA 0.080 4.560 4.480 -0.000 0.000 0.350 91 M C 0.279 176.634 176.300 0.091 0.000 1.429 91 M CA 0.331 55.672 55.300 0.068 0.000 1.063 91 M CB 0.752 33.370 32.600 0.030 0.000 1.841 91 M HN 0.696 nan 8.290 nan 0.000 0.455 92 K N 2.578 123.021 120.400 0.073 0.000 2.335 92 K HA 0.250 4.570 4.320 -0.000 0.000 0.195 92 K C -0.422 176.211 176.600 0.056 0.000 1.058 92 K CA 0.912 57.239 56.287 0.066 0.000 0.988 92 K CB 0.760 33.299 32.500 0.065 0.000 0.880 92 K HN 0.739 nan 8.250 nan 0.000 0.513 93 Q N -1.138 118.695 119.800 0.055 0.000 2.309 93 Q HA 0.562 4.902 4.340 -0.000 0.000 0.273 93 Q C -0.750 175.276 176.000 0.042 0.000 1.040 93 Q CA -0.571 55.265 55.803 0.055 0.000 0.834 93 Q CB 2.495 31.271 28.738 0.062 0.000 1.345 93 Q HN 0.249 nan 8.270 nan 0.000 0.414 94 G N 1.296 110.127 108.800 0.052 0.000 2.315 94 G HA2 0.021 3.981 3.960 -0.000 0.000 0.296 94 G HA3 0.021 3.981 3.960 -0.000 0.000 0.296 94 G C -1.690 173.252 174.900 0.071 0.000 1.289 94 G CA -0.645 44.469 45.100 0.024 0.000 0.996 94 G HN 0.819 nan 8.290 nan 0.000 0.487 95 H N -0.681 118.409 119.070 0.033 0.000 2.949 95 H HA 0.727 5.283 4.556 -0.000 0.000 0.356 95 H C -0.338 175.003 175.328 0.023 0.000 1.212 95 H CA -0.923 55.145 56.048 0.034 0.000 1.136 95 H CB 1.158 30.945 29.762 0.041 0.000 1.869 95 H HN 0.698 nan 8.280 nan 0.000 0.556 96 R N 0.145 120.737 120.500 0.153 0.000 2.582 96 R HA 0.451 4.791 4.340 -0.000 0.000 0.271 96 R C 0.348 176.727 176.300 0.130 0.000 1.078 96 R CA 0.659 56.799 56.100 0.065 0.000 1.127 96 R CB 0.739 31.080 30.300 0.068 0.000 1.038 96 R HN 1.007 nan 8.270 nan 0.000 0.500 97 G N 1.331 110.111 108.800 -0.033 0.000 2.466 97 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.316 97 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.316 97 G C -1.462 173.352 174.900 -0.142 0.000 1.270 97 G CA -0.905 44.154 45.100 -0.069 0.000 0.982 97 G HN 0.578 nan 8.290 nan 0.000 0.506 98 W N 0.412 121.776 121.300 0.108 0.000 2.303 98 W HA 0.530 5.190 4.660 -0.000 0.000 0.318 98 W C 1.555 178.124 176.519 0.083 0.000 1.362 98 W CA -0.456 56.934 57.345 0.075 0.000 1.234 98 W CB 0.505 30.018 29.460 0.088 0.000 1.248 98 W HN 0.403 nan 8.180 nan 0.000 0.546 99 L N 3.884 125.239 121.223 0.221 0.000 2.592 99 L HA 0.191 4.531 4.340 -0.000 0.000 0.227 99 L C 0.104 177.059 176.870 0.142 0.000 1.127 99 L CA 0.049 54.936 54.840 0.079 0.000 0.884 99 L CB -0.488 41.533 42.059 -0.063 0.000 1.065 99 L HN 0.157 nan 8.230 nan 0.000 0.457 100 V N -0.810 119.229 119.914 0.207 0.000 2.789 100 V HA 0.215 4.335 4.120 -0.000 0.000 0.311 100 V C -0.871 175.290 176.094 0.112 0.000 1.073 100 V CA -0.869 61.507 62.300 0.126 0.000 0.921 100 V CB 2.779 34.649 31.823 0.079 0.000 1.009 100 V HN -0.056 nan 8.190 nan 0.000 0.426 101 D N 2.930 123.371 120.400 0.069 0.000 2.358 101 D HA 0.260 4.900 4.640 -0.000 0.000 0.258 101 D C 0.601 176.890 176.300 -0.018 0.000 1.223 101 D CA 0.358 54.390 54.000 0.053 0.000 0.886 101 D CB 0.904 41.737 40.800 0.055 0.000 1.120 101 D HN 0.426 nan 8.370 nan 0.000 0.482 102 L N 2.516 123.712 121.223 -0.045 0.000 2.575 102 L HA 0.088 4.428 4.340 -0.000 0.000 0.228 102 L C 2.060 178.902 176.870 -0.048 0.000 1.075 102 L CA 0.474 55.241 54.840 -0.121 0.000 0.867 102 L CB 0.063 41.955 42.059 -0.277 0.000 1.097 102 L HN 0.482 nan 8.230 nan 0.000 0.485 103 T N -3.585 110.992 114.554 0.038 0.000 3.014 103 T HA 0.377 4.727 4.350 -0.000 0.000 0.250 103 T C 1.304 176.019 174.700 0.025 0.000 1.060 103 T CA 0.450 62.595 62.100 0.075 0.000 1.040 103 T CB 0.533 69.547 68.868 0.244 0.000 0.971 103 T HN 0.364 nan 8.240 nan 0.000 0.497 104 G N 3.091 111.918 108.800 0.045 0.000 2.574 104 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.286 104 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.286 104 G C 0.490 175.453 174.900 0.106 0.000 1.212 104 G CA 0.396 45.527 45.100 0.051 0.000 0.979 104 G HN 0.821 nan 8.290 nan 0.000 0.557 105 E N -0.083 120.167 120.200 0.082 0.000 2.463 105 E HA 0.376 4.726 4.350 -0.000 0.000 0.193 105 E C 1.119 177.699 176.600 -0.034 0.000 1.041 105 E CA -0.322 56.111 56.400 0.056 0.000 0.879 105 E CB 0.280 30.035 29.700 0.093 0.000 0.997 105 E HN 0.418 nan 8.360 nan 0.000 0.478 106 L N 3.213 124.455 121.223 0.031 0.000 2.389 106 L HA 0.220 4.560 4.340 -0.000 0.000 0.265 106 L C -0.327 176.648 176.870 0.175 0.000 1.167 106 L CA -0.632 54.259 54.840 0.086 0.000 1.045 106 L CB 0.577 42.686 42.059 0.083 0.000 1.351 106 L HN 0.122 nan 8.230 nan 0.000 0.419 107 V N -0.149 119.815 119.914 0.084 0.000 2.994 107 V HA 0.887 5.007 4.120 -0.000 0.000 0.318 107 V C 0.791 176.930 176.094 0.074 0.000 1.085 107 V CA 0.045 62.410 62.300 0.108 0.000 0.998 107 V CB 1.447 33.318 31.823 0.081 0.000 1.063 107 V HN 0.738 nan 8.190 nan 0.000 0.447 108 G N 0.455 109.293 108.800 0.063 0.000 2.149 108 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.235 108 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.235 108 G C 0.085 174.972 174.900 -0.022 0.000 1.018 108 G CA 0.095 45.208 45.100 0.023 0.000 0.728 108 G HN 1.147 nan 8.290 nan 0.000 0.508 109 C N -0.217 119.048 119.300 -0.058 0.000 2.407 109 C HA 0.843 5.303 4.460 -0.000 0.000 0.366 109 C C 0.958 175.806 174.990 -0.236 0.000 1.213 109 C CA -0.214 58.715 59.018 -0.149 0.000 2.011 109 C CB 1.952 29.555 27.740 -0.228 0.000 2.306 109 C HN 0.507 nan 8.230 nan 0.000 0.527 110 S N 1.624 117.186 115.700 -0.231 0.000 2.060 110 S HA 0.269 4.739 4.470 -0.000 0.000 0.156 110 S C -2.750 171.755 174.600 -0.159 0.000 1.690 110 S CA -0.411 57.668 58.200 -0.202 0.000 1.238 110 S CB 0.078 63.163 63.200 -0.192 0.000 1.150 110 S HN 0.583 nan 8.310 nan 0.000 0.437 111 P HA -0.064 nan 4.420 nan 0.000 0.260 111 P C 0.189 177.423 177.300 -0.111 0.000 1.172 111 P CA 0.141 63.008 63.100 -0.387 0.000 0.760 111 P CB 0.360 31.485 31.700 -0.957 0.000 0.773 112 V N 5.682 125.564 119.914 -0.055 0.000 2.540 112 V HA -0.051 4.069 4.120 -0.000 0.000 0.297 112 V C 1.179 177.264 176.094 -0.014 0.000 1.024 112 V CA 0.690 62.934 62.300 -0.093 0.000 1.105 112 V CB 0.867 32.523 31.823 -0.278 0.000 0.938 112 V HN 0.421 nan 8.190 nan 0.000 0.482 113 V N 6.193 126.116 119.914 0.016 0.000 3.263 113 V HA 0.678 4.798 4.120 -0.000 0.000 0.248 113 V C 0.710 176.812 176.094 0.014 0.000 1.145 113 V CA 1.184 63.495 62.300 0.018 0.000 1.107 113 V CB 0.279 32.102 31.823 0.000 0.000 0.797 113 V HN 1.362 nan 8.190 nan 0.000 0.467 114 A N -0.405 122.441 122.820 0.044 0.000 2.515 114 A HA 0.677 4.997 4.320 -0.000 0.000 0.292 114 A C -1.203 176.459 177.584 0.130 0.000 1.065 114 A CA -0.345 51.725 52.037 0.056 0.000 0.641 114 A CB 1.092 20.098 19.000 0.010 0.000 1.306 114 A HN 0.232 nan 8.150 nan 0.000 0.441 115 E N -0.308 119.978 120.200 0.144 0.000 2.292 115 E HA 0.701 5.051 4.350 -0.000 0.000 0.272 115 E C -2.091 174.683 176.600 0.291 0.000 0.881 115 E CA -0.434 56.084 56.400 0.196 0.000 0.754 115 E CB 1.713 31.454 29.700 0.068 0.000 1.201 115 E HN 0.995 nan 8.360 nan 0.000 0.425 116 F N 2.324 122.373 119.950 0.166 0.000 2.650 116 F HA 0.458 4.985 4.527 -0.000 0.000 0.310 116 F C 0.482 176.370 175.800 0.147 0.000 1.112 116 F CA 0.314 58.378 58.000 0.106 0.000 0.986 116 F CB 1.930 40.942 39.000 0.021 0.000 1.285 116 F HN 0.614 nan 8.300 nan 0.000 0.440 117 G N 2.578 110.894 108.800 -0.806 0.000 2.269 117 G HA2 0.110 4.070 3.960 -0.000 0.000 0.277 117 G HA3 0.110 4.070 3.960 -0.000 0.000 0.277 117 G C 1.178 175.894 174.900 -0.306 0.000 1.008 117 G CA 1.206 45.967 45.100 -0.565 0.000 0.774 117 G HN 2.422 nan 8.290 nan 0.000 0.511 118 G N -2.077 106.563 108.800 -0.267 0.000 2.141 118 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.242 118 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.242 118 G C 0.030 174.630 174.900 -0.500 0.000 0.982 118 G CA 0.682 45.571 45.100 -0.351 0.000 0.662 118 G HN 1.313 nan 8.290 nan 0.000 0.527 119 H N -0.274 118.729 119.070 -0.112 0.000 2.637 119 H HA 0.503 5.059 4.556 -0.000 0.000 0.363 119 H C 0.272 175.517 175.328 -0.138 0.000 1.131 119 H CA -0.655 55.247 56.048 -0.243 0.000 1.183 119 H CB 1.298 30.691 29.762 -0.616 0.000 1.637 119 H HN 0.216 nan 8.280 nan 0.000 0.531 120 R N 1.904 122.346 120.500 -0.097 0.000 2.349 120 R HA 0.313 4.653 4.340 -0.000 0.000 0.299 120 R C -0.867 175.339 176.300 -0.157 0.000 1.027 120 R CA -0.428 55.582 56.100 -0.149 0.000 0.958 120 R CB 0.886 30.896 30.300 -0.484 0.000 1.047 120 R HN 0.465 nan 8.270 nan 0.000 0.468 121 Y N 0.261 120.591 120.300 0.050 0.000 2.429 121 Y HA 0.453 5.003 4.550 -0.000 0.000 0.342 121 Y C 0.356 176.342 175.900 0.142 0.000 1.004 121 Y CA -0.750 57.434 58.100 0.140 0.000 1.075 121 Y CB 2.051 40.559 38.460 0.080 0.000 1.214 121 Y HN 0.625 nan 8.280 nan 0.000 0.455 122 A N 1.662 124.677 122.820 0.326 0.000 2.286 122 A HA 0.626 4.946 4.320 -0.000 0.000 0.286 122 A C 0.101 177.740 177.584 0.092 0.000 1.097 122 A CA -0.433 51.736 52.037 0.220 0.000 0.821 122 A CB 0.215 19.290 19.000 0.126 0.000 1.076 122 A HN 0.776 nan 8.150 nan 0.000 0.490 123 S N 0.272 115.981 115.700 0.014 0.000 2.661 123 S HA 0.827 5.297 4.470 -0.000 0.000 0.265 123 S C 0.704 175.285 174.600 -0.032 0.000 1.225 123 S CA 0.170 58.357 58.200 -0.022 0.000 0.986 123 S CB 0.687 63.849 63.200 -0.064 0.000 1.008 123 S HN 2.695 nan 8.310 nan 0.000 0.565 124 G N -0.026 108.762 108.800 -0.019 0.000 2.428 124 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.202 124 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.202 124 G C -0.723 174.174 174.900 -0.005 0.000 1.247 124 G CA -0.227 44.866 45.100 -0.012 0.000 1.020 124 G HN 1.115 nan 8.290 nan 0.000 0.529 125 M N 0.288 119.884 119.600 -0.007 0.000 2.300 125 M HA 0.687 5.167 4.480 -0.000 0.000 0.348 125 M C -0.671 175.623 176.300 -0.009 0.000 1.151 125 M CA -0.812 54.483 55.300 -0.008 0.000 1.046 125 M CB 1.700 34.298 32.600 -0.004 0.000 1.647 125 M HN 0.613 nan 8.290 nan 0.000 0.451 126 V N 6.661 126.567 119.914 -0.013 0.000 2.407 126 V HA 0.449 4.569 4.120 -0.000 0.000 0.291 126 V C -0.292 175.794 176.094 -0.013 0.000 1.018 126 V CA -0.600 61.693 62.300 -0.012 0.000 0.842 126 V CB 1.431 33.242 31.823 -0.020 0.000 0.996 126 V HN 0.793 nan 8.190 nan 0.000 0.426 127 I N 4.877 125.447 120.570 0.001 0.000 2.331 127 I HA 0.391 4.561 4.170 -0.000 0.000 0.292 127 I C -0.428 175.701 176.117 0.019 0.000 0.998 127 I CA -0.631 60.677 61.300 0.014 0.000 1.267 127 I CB 1.937 39.953 38.000 0.027 0.000 1.386 127 I HN 0.287 nan 8.210 nan 0.000 0.476 128 V N 6.146 126.069 119.914 0.016 0.000 2.328 128 V HA 0.436 4.556 4.120 -0.000 0.000 0.278 128 V C 0.133 176.294 176.094 0.112 0.000 1.021 128 V CA -0.033 62.287 62.300 0.034 0.000 0.838 128 V CB 1.220 32.994 31.823 -0.080 0.000 0.999 128 V HN 0.890 nan 8.190 nan 0.000 0.447 129 T N 2.888 117.550 114.554 0.181 0.000 2.587 129 T HA 0.879 5.229 4.350 -0.000 0.000 0.282 129 T C -0.288 174.517 174.700 0.175 0.000 1.018 129 T CA 0.285 62.482 62.100 0.162 0.000 1.120 129 T CB 1.597 70.520 68.868 0.092 0.000 1.538 129 T HN 1.663 nan 8.240 nan 0.000 0.480 130 G N 1.081 109.931 108.800 0.084 0.000 2.484 130 G HA2 0.217 4.177 3.960 -0.000 0.000 0.685 130 G HA3 0.217 4.177 3.960 -0.000 0.000 0.685 130 G C -1.488 173.412 174.900 0.000 0.000 1.294 130 G CA -0.420 44.691 45.100 0.019 0.000 0.879 130 G HN 0.638 nan 8.290 nan 0.000 0.646 131 K N 0.472 120.854 120.400 -0.030 0.000 2.307 131 K HA 0.733 5.053 4.320 -0.000 0.000 0.263 131 K C 0.504 177.072 176.600 -0.053 0.000 0.973 131 K CA 0.194 56.466 56.287 -0.025 0.000 0.846 131 K CB 1.265 33.755 32.500 -0.017 0.000 1.100 131 K HN 1.911 nan 8.250 nan 0.000 0.438 132 G N 2.002 110.774 108.800 -0.047 0.000 2.336 132 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.286 132 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.286 132 G C -0.421 174.455 174.900 -0.040 0.000 1.269 132 G CA -0.645 44.417 45.100 -0.063 0.000 0.873 132 G HN 0.503 nan 8.290 nan 0.000 0.494 133 N N 0.159 118.832 118.700 -0.045 0.000 2.290 133 N HA 0.040 4.780 4.740 -0.000 0.000 0.179 133 N C 1.142 176.670 175.510 0.031 0.000 1.016 133 N CA 0.810 53.856 53.050 -0.006 0.000 0.871 133 N CB -0.123 38.362 38.487 -0.004 0.000 0.987 133 N HN 0.371 nan 8.380 nan 0.000 0.431 134 S N 0.698 116.387 115.700 -0.018 0.000 2.546 134 S HA 0.199 4.669 4.470 -0.000 0.000 0.290 134 S C 0.813 175.561 174.600 0.247 0.000 1.262 134 S CA -0.414 57.834 58.200 0.079 0.000 1.083 134 S CB 0.458 63.504 63.200 -0.256 0.000 0.859 134 S HN 0.292 nan 8.310 nan 0.000 0.495 135 G N 2.634 111.648 108.800 0.355 0.000 2.380 135 G HA2 0.291 4.251 3.960 -0.000 0.000 0.262 135 G HA3 0.291 4.251 3.960 -0.000 0.000 0.262 135 G C 0.493 175.613 174.900 0.368 0.000 1.243 135 G CA -0.627 44.662 45.100 0.314 0.000 0.865 135 G HN 0.588 nan 8.290 nan 0.000 0.513 136 K N 1.164 121.729 120.400 0.275 0.000 2.116 136 K HA 0.003 4.323 4.320 -0.000 0.000 0.203 136 K C 2.737 179.370 176.600 0.055 0.000 1.052 136 K CA 1.264 57.651 56.287 0.165 0.000 0.952 136 K CB -0.306 32.282 32.500 0.147 0.000 0.729 136 K HN 0.470 nan 8.250 nan 0.000 0.446 137 T N 1.485 116.106 114.554 0.112 0.000 2.684 137 T HA -0.088 4.262 4.350 -0.000 0.000 0.267 137 T C -1.034 173.771 174.700 0.175 0.000 1.036 137 T CA 1.466 63.652 62.100 0.143 0.000 1.148 137 T CB -0.859 68.117 68.868 0.179 0.000 0.863 137 T HN 0.124 nan 8.240 nan 0.000 0.436 138 P HA 0.001 nan 4.420 nan 0.000 0.218 138 P C 1.666 178.958 177.300 -0.013 0.000 1.149 138 P CA 0.467 63.659 63.100 0.153 0.000 0.817 138 P CB -0.114 31.758 31.700 0.287 0.000 0.785 139 L N 0.423 121.561 121.223 -0.141 0.000 2.027 139 L HA -0.091 4.249 4.340 -0.000 0.000 0.206 139 L C 2.103 178.747 176.870 -0.376 0.000 1.074 139 L CA 2.110 56.705 54.840 -0.408 0.000 0.745 139 L CB -1.214 40.330 42.059 -0.857 0.000 0.898 139 L HN -0.057 nan 8.230 nan 0.000 0.433 140 V N -2.788 116.946 119.914 -0.300 0.000 2.407 140 V HA -0.255 3.865 4.120 -0.000 0.000 0.248 140 V C 2.529 178.366 176.094 -0.428 0.000 1.055 140 V CA 1.507 63.600 62.300 -0.345 0.000 1.049 140 V CB -1.249 30.397 31.823 -0.295 0.000 0.662 140 V HN 0.451 nan 8.190 nan 0.000 0.455 141 H N 0.883 119.809 119.070 -0.239 0.000 2.395 141 H HA 0.156 4.712 4.556 -0.000 0.000 0.299 141 H C 2.497 177.589 175.328 -0.392 0.000 1.070 141 H CA 1.800 57.680 56.048 -0.280 0.000 1.356 141 H CB -0.102 29.633 29.762 -0.046 0.000 1.401 141 H HN 0.584 nan 8.280 nan 0.000 0.524 142 A N 0.883 123.580 122.820 -0.205 0.000 1.929 142 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 142 A C 2.424 179.760 177.584 -0.414 0.000 1.176 142 A CA 0.879 52.760 52.037 -0.259 0.000 0.628 142 A CB -0.565 18.297 19.000 -0.229 0.000 0.816 142 A HN 0.257 nan 8.150 nan 0.000 0.444 143 L N -0.013 120.934 121.223 -0.460 0.000 2.156 143 L HA 0.066 4.406 4.340 -0.000 0.000 0.208 143 L C 2.350 178.868 176.870 -0.587 0.000 1.095 143 L CA 1.853 56.376 54.840 -0.528 0.000 0.770 143 L CB -0.872 40.911 42.059 -0.461 0.000 0.914 143 L HN 0.308 nan 8.230 nan 0.000 0.439 144 G N -1.276 107.106 108.800 -0.697 0.000 2.404 144 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.215 144 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.215 144 G C 1.506 175.927 174.900 -0.797 0.000 1.174 144 G CA 0.609 45.159 45.100 -0.916 0.000 0.780 144 G HN 0.392 nan 8.290 nan 0.000 0.537 145 E N 1.119 120.884 120.200 -0.726 0.000 2.072 145 E HA -0.058 4.292 4.350 -0.000 0.000 0.191 145 E C 2.815 179.237 176.600 -0.298 0.000 0.985 145 E CA 1.157 57.414 56.400 -0.239 0.000 0.801 145 E CB -0.339 29.312 29.700 -0.081 0.000 0.750 145 E HN 0.267 nan 8.360 nan 0.000 0.452 146 A N 1.313 123.820 122.820 -0.522 0.000 1.877 146 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 146 A C 2.440 179.650 177.584 -0.623 0.000 1.186 146 A CA 1.240 52.779 52.037 -0.829 0.000 0.620 146 A CB -0.674 17.370 19.000 -1.594 0.000 0.822 146 A HN 0.303 nan 8.150 nan 0.000 0.443 147 L N -0.788 120.114 121.223 -0.535 0.000 2.217 147 L HA -0.039 4.301 4.340 -0.000 0.000 0.211 147 L C 2.723 179.470 176.870 -0.204 0.000 1.107 147 L CA 0.745 55.375 54.840 -0.349 0.000 0.783 147 L CB -0.800 41.042 42.059 -0.361 0.000 0.919 147 L HN 0.497 nan 8.230 nan 0.000 0.442 148 G N -0.291 108.398 108.800 -0.185 0.000 2.422 148 G HA2 0.060 4.020 3.960 -0.000 0.000 0.218 148 G HA3 0.060 4.020 3.960 -0.000 0.000 0.218 148 G C 1.290 176.161 174.900 -0.049 0.000 1.146 148 G CA 0.869 45.924 45.100 -0.076 0.000 0.769 148 G HN 0.519 nan 8.290 nan 0.000 0.547 149 G N 0.540 109.304 108.800 -0.059 0.000 2.677 149 G HA2 -0.416 3.544 3.960 -0.000 0.000 0.321 149 G HA3 -0.416 3.544 3.960 -0.000 0.000 0.321 149 G C 1.270 176.178 174.900 0.013 0.000 1.181 149 G CA 1.046 46.141 45.100 -0.008 0.000 0.965 149 G HN 0.526 nan 8.290 nan 0.000 0.548 150 K N 1.395 121.806 120.400 0.019 0.000 2.296 150 K HA 0.114 4.434 4.320 -0.000 0.000 0.200 150 K C 0.133 176.746 176.600 0.022 0.000 1.048 150 K CA 0.898 57.199 56.287 0.024 0.000 0.966 150 K CB 0.017 32.533 32.500 0.027 0.000 0.754 150 K HN 0.481 nan 8.250 nan 0.000 0.466 151 D N 1.159 121.570 120.400 0.018 0.000 2.277 151 D HA 0.158 4.798 4.640 -0.000 0.000 0.250 151 D C -0.190 176.123 176.300 0.021 0.000 1.032 151 D CA -0.263 53.750 54.000 0.022 0.000 0.947 151 D CB 1.250 42.062 40.800 0.021 0.000 1.159 151 D HN -0.142 nan 8.370 nan 0.000 0.460 152 K N 0.364 120.766 120.400 0.004 0.000 2.168 152 K HA 0.242 4.562 4.320 -0.000 0.000 0.258 152 K C -0.335 176.241 176.600 -0.040 0.000 1.010 152 K CA -0.496 55.762 56.287 -0.047 0.000 0.929 152 K CB 0.600 33.026 32.500 -0.124 0.000 0.998 152 K HN 0.433 nan 8.250 nan 0.000 0.479 153 Y N -1.440 118.784 120.300 -0.126 0.000 2.457 153 Y HA 0.653 5.203 4.550 -0.000 0.000 0.333 153 Y C -0.576 175.194 175.900 -0.216 0.000 1.119 153 Y CA -1.459 56.542 58.100 -0.164 0.000 1.143 153 Y CB 0.993 39.364 38.460 -0.148 0.000 1.230 153 Y HN 0.485 nan 8.280 nan 0.000 0.469 154 A N 1.781 124.496 122.820 -0.174 0.000 2.306 154 A HA 0.676 4.996 4.320 -0.000 0.000 0.314 154 A C -0.559 176.987 177.584 -0.063 0.000 1.164 154 A CA -0.619 51.250 52.037 -0.280 0.000 0.822 154 A CB 0.302 19.072 19.000 -0.383 0.000 1.130 154 A HN 0.808 nan 8.150 nan 0.000 0.496 155 T N 2.050 116.551 114.554 -0.089 0.000 2.786 155 T HA 0.471 4.821 4.350 -0.000 0.000 0.283 155 T C -0.575 174.116 174.700 -0.015 0.000 0.992 155 T CA -0.256 61.849 62.100 0.008 0.000 0.954 155 T CB 1.038 69.954 68.868 0.080 0.000 0.934 155 T HN 0.397 nan 8.240 nan 0.000 0.440 156 V N 5.136 125.060 119.914 0.016 0.000 2.370 156 V HA 0.444 4.564 4.120 -0.000 0.000 0.279 156 V C 0.337 176.487 176.094 0.093 0.000 1.029 156 V CA -0.769 61.560 62.300 0.048 0.000 0.870 156 V CB 1.031 32.898 31.823 0.073 0.000 0.984 156 V HN 0.696 nan 8.190 nan 0.000 0.451 157 R N 4.078 124.585 120.500 0.012 0.000 2.346 157 R HA 0.677 5.017 4.340 -0.000 0.000 0.311 157 R C -1.325 175.054 176.300 0.131 0.000 0.983 157 R CA -0.473 55.563 56.100 -0.107 0.000 0.880 157 R CB 1.879 31.747 30.300 -0.721 0.000 1.100 157 R HN 0.590 nan 8.270 nan 0.000 0.453 158 F N 0.142 120.147 119.950 0.091 0.000 2.615 158 F HA 0.361 4.888 4.527 0.000 0.000 0.312 158 F C 0.288 176.137 175.800 0.082 0.000 1.119 158 F CA -0.338 57.666 58.000 0.006 0.000 0.979 158 F CB 1.948 40.647 39.000 -0.502 0.000 1.266 158 F HN 0.712 nan 8.300 nan 0.000 0.444 159 G N 3.215 111.568 108.800 -0.745 0.000 2.323 159 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.292 159 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.292 159 G C -0.517 174.160 174.900 -0.371 0.000 1.040 159 G CA 0.659 45.322 45.100 -0.729 0.000 0.942 159 G HN 0.728 nan 8.290 nan 0.000 0.506 160 E N -0.381 119.613 120.200 -0.344 0.000 2.266 160 E HA 0.575 4.925 4.350 -0.000 0.000 0.268 160 E C -1.994 174.334 176.600 -0.453 0.000 0.879 160 E CA -2.306 53.783 56.400 -0.519 0.000 0.762 160 E CB 1.899 31.025 29.700 -0.955 0.000 1.199 160 E HN -0.009 nan 8.360 nan 0.000 0.422 161 P HA 0.114 nan 4.420 nan 0.000 0.228 161 P C -0.909 176.283 177.300 -0.180 0.000 1.748 161 P CA -0.029 62.956 63.100 -0.191 0.000 0.909 161 P CB -0.115 31.505 31.700 -0.134 0.000 1.882 162 L N 0.306 121.385 121.223 -0.240 0.000 2.301 162 L HA 0.388 4.728 4.340 -0.000 0.000 0.264 162 L C 0.816 177.734 176.870 0.080 0.000 1.016 162 L CA -1.136 53.636 54.840 -0.113 0.000 0.821 162 L CB 1.542 43.477 42.059 -0.207 0.000 1.346 162 L HN 0.022 nan 8.230 nan 0.000 0.429 163 S N -0.362 115.401 115.700 0.105 0.000 2.560 163 S HA 0.403 4.873 4.470 -0.000 0.000 0.284 163 S C 1.044 175.753 174.600 0.181 0.000 1.327 163 S CA 0.207 58.477 58.200 0.116 0.000 1.055 163 S CB 0.522 63.762 63.200 0.067 0.000 0.868 163 S HN 1.468 nan 8.310 nan 0.000 0.506 164 G N 1.283 110.157 108.800 0.124 0.000 2.189 164 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.267 164 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.267 164 G C -0.143 174.801 174.900 0.074 0.000 0.975 164 G CA 0.458 45.606 45.100 0.080 0.000 0.644 164 G HN 0.841 nan 8.290 nan 0.000 0.537 165 Y N 0.969 121.282 120.300 0.021 0.000 2.393 165 Y HA 0.398 4.948 4.550 -0.000 0.000 0.338 165 Y C 0.902 176.828 175.900 0.042 0.000 1.029 165 Y CA -0.162 57.955 58.100 0.028 0.000 1.239 165 Y CB 0.729 39.184 38.460 -0.009 0.000 1.170 165 Y HN 0.309 nan 8.280 nan 0.000 0.515 166 N N 1.074 119.873 118.700 0.166 0.000 2.518 166 N HA 0.056 4.796 4.740 -0.000 0.000 0.266 166 N C 0.369 176.032 175.510 0.256 0.000 1.196 166 N CA 0.326 53.498 53.050 0.203 0.000 0.947 166 N CB 0.829 39.447 38.487 0.219 0.000 1.098 166 N HN 0.673 nan 8.380 nan 0.000 0.450 167 T N -1.660 113.018 114.554 0.207 0.000 3.111 167 T HA 0.154 4.504 4.350 -0.000 0.000 0.284 167 T C -0.256 174.646 174.700 0.336 0.000 0.983 167 T CA -0.541 61.619 62.100 0.100 0.000 0.900 167 T CB -0.209 68.645 68.868 -0.023 0.000 1.132 167 T HN 0.451 nan 8.240 nan 0.000 0.531 168 D N 0.765 121.406 120.400 0.403 0.000 2.317 168 D HA 0.234 4.874 4.640 -0.000 0.000 0.234 168 D C 0.451 177.000 176.300 0.415 0.000 1.112 168 D CA -0.812 53.404 54.000 0.360 0.000 0.840 168 D CB 0.986 41.921 40.800 0.224 0.000 1.078 168 D HN 0.057 nan 8.370 nan 0.000 0.486 169 F N 4.906 125.032 119.950 0.292 0.000 2.120 169 F HA -0.265 4.262 4.527 -0.000 0.000 0.300 169 F C 1.664 177.529 175.800 0.109 0.000 1.095 169 F CA 1.510 59.594 58.000 0.140 0.000 1.249 169 F CB 0.091 39.197 39.000 0.177 0.000 0.995 169 F HN 0.384 nan 8.300 nan 0.000 0.480 170 N N 0.062 118.898 118.700 0.227 0.000 2.244 170 N HA -0.127 4.613 4.740 -0.000 0.000 0.183 170 N C 1.986 177.499 175.510 0.005 0.000 1.016 170 N CA 1.422 54.538 53.050 0.110 0.000 0.866 170 N CB -0.565 38.034 38.487 0.185 0.000 0.980 170 N HN 0.252 nan 8.380 nan 0.000 0.430 171 V N 0.792 120.732 119.914 0.043 0.000 2.548 171 V HA -0.139 3.981 4.120 -0.000 0.000 0.249 171 V C 1.926 177.999 176.094 -0.035 0.000 1.055 171 V CA 0.841 63.160 62.300 0.031 0.000 1.065 171 V CB -0.606 31.269 31.823 0.087 0.000 0.681 171 V HN 0.129 nan 8.190 nan 0.000 0.462 172 F N 1.860 121.606 119.950 -0.340 0.000 2.075 172 F HA -0.189 4.338 4.527 -0.000 0.000 0.297 172 F C 2.330 177.817 175.800 -0.523 0.000 1.113 172 F CA 2.194 59.853 58.000 -0.569 0.000 1.218 172 F CB -0.631 37.641 39.000 -1.214 0.000 0.984 172 F HN 0.117 nan 8.300 nan 0.000 0.472 173 V N -1.832 117.649 119.914 -0.721 0.000 2.626 173 V HA -0.198 3.922 4.120 -0.000 0.000 0.252 173 V C 2.172 178.026 176.094 -0.401 0.000 1.067 173 V CA 2.185 64.088 62.300 -0.662 0.000 1.081 173 V CB -0.938 30.613 31.823 -0.453 0.000 0.686 173 V HN 0.450 nan 8.190 nan 0.000 0.468 174 D N 0.714 120.974 120.400 -0.235 0.000 2.097 174 D HA -0.203 4.437 4.640 -0.000 0.000 0.197 174 D C 1.747 177.902 176.300 -0.242 0.000 0.984 174 D CA 1.763 55.699 54.000 -0.106 0.000 0.826 174 D CB -0.020 40.796 40.800 0.027 0.000 0.973 174 D HN 0.487 nan 8.370 nan 0.000 0.460 175 D N 0.459 120.722 120.400 -0.228 0.000 2.144 175 D HA -0.104 4.536 4.640 -0.000 0.000 0.199 175 D C 2.282 178.412 176.300 -0.284 0.000 0.984 175 D CA 0.467 54.346 54.000 -0.202 0.000 0.834 175 D CB -0.204 40.522 40.800 -0.124 0.000 0.955 175 D HN 0.393 nan 8.370 nan 0.000 0.465 176 I N 1.058 121.364 120.570 -0.439 0.000 2.252 176 I HA -0.225 3.945 4.170 -0.000 0.000 0.245 176 I C 2.504 178.394 176.117 -0.378 0.000 1.102 176 I CA 0.890 61.929 61.300 -0.434 0.000 1.385 176 I CB -0.227 37.399 38.000 -0.624 0.000 1.064 176 I HN -0.083 nan 8.210 nan 0.000 0.414 177 A N 1.016 123.538 122.820 -0.495 0.000 1.883 177 A HA -0.270 4.050 4.320 -0.000 0.000 0.217 177 A C 2.445 179.717 177.584 -0.520 0.000 1.186 177 A CA 2.019 53.681 52.037 -0.625 0.000 0.624 177 A CB -0.724 17.605 19.000 -1.119 0.000 0.822 177 A HN 0.374 nan 8.150 nan 0.000 0.444 178 R N -0.354 119.856 120.500 -0.484 0.000 2.091 178 R HA -0.110 4.230 4.340 -0.000 0.000 0.238 178 R C 2.258 178.497 176.300 -0.102 0.000 1.136 178 R CA 1.584 57.522 56.100 -0.269 0.000 0.959 178 R CB -0.453 29.740 30.300 -0.179 0.000 0.856 178 R HN 0.427 nan 8.270 nan 0.000 0.437 179 A N 0.981 123.755 122.820 -0.077 0.000 1.877 179 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 179 A C 2.235 179.875 177.584 0.093 0.000 1.186 179 A CA 1.688 53.762 52.037 0.061 0.000 0.620 179 A CB -0.448 18.547 19.000 -0.009 0.000 0.822 179 A HN 0.389 nan 8.150 nan 0.000 0.443 180 M N -0.897 118.718 119.600 0.026 0.000 2.296 180 M HA -0.007 4.473 4.480 -0.000 0.000 0.265 180 M C 1.903 178.347 176.300 0.241 0.000 1.064 180 M CA 0.998 56.382 55.300 0.140 0.000 1.109 180 M CB -0.365 32.297 32.600 0.104 0.000 1.396 180 M HN 0.350 nan 8.290 nan 0.000 0.430 181 L N -0.550 120.749 121.223 0.128 0.000 2.240 181 L HA -0.143 4.197 4.340 -0.000 0.000 0.211 181 L C 1.931 178.834 176.870 0.055 0.000 1.106 181 L CA 1.074 56.000 54.840 0.143 0.000 0.793 181 L CB -0.103 41.980 42.059 0.040 0.000 0.927 181 L HN 0.372 nan 8.230 nan 0.000 0.446 182 Q N -2.138 117.654 119.800 -0.014 0.000 2.214 182 Q HA 0.209 4.549 4.340 -0.000 0.000 0.229 182 Q C -0.403 175.306 176.000 -0.484 0.000 0.835 182 Q CA 0.040 55.695 55.803 -0.247 0.000 0.953 182 Q CB 1.099 29.599 28.738 -0.397 0.000 1.131 182 Q HN 0.415 nan 8.270 nan 0.000 0.501 183 H N -1.119 118.072 119.070 0.202 0.000 2.961 183 H HA 0.297 4.853 4.556 0.000 0.000 0.371 183 H C -0.008 175.224 175.328 -0.160 0.000 1.190 183 H CA -0.543 55.549 56.048 0.073 0.000 1.138 183 H CB 1.850 31.608 29.762 -0.007 0.000 1.816 183 H HN -0.080 nan 8.280 nan 0.000 0.551 184 R N 0.846 121.034 120.500 -0.519 0.000 2.100 184 R HA 0.124 4.464 4.340 -0.000 0.000 0.220 184 R C -0.185 175.901 176.300 -0.356 0.000 1.091 184 R CA 0.636 56.147 56.100 -0.982 0.000 0.986 184 R CB 0.490 30.072 30.300 -1.197 0.000 0.888 184 R HN 0.224 nan 8.270 nan 0.000 0.444 185 V N 2.308 122.112 119.914 -0.184 0.000 2.378 185 V HA 0.383 4.503 4.120 -0.000 0.000 0.288 185 V C -0.475 175.600 176.094 -0.032 0.000 1.016 185 V CA -0.578 61.657 62.300 -0.108 0.000 0.840 185 V CB 1.674 33.436 31.823 -0.103 0.000 0.994 185 V HN 0.102 nan 8.190 nan 0.000 0.431 186 I N 4.718 125.262 120.570 -0.042 0.000 2.509 186 I HA 0.591 4.761 4.170 -0.000 0.000 0.293 186 I C -0.717 175.372 176.117 -0.046 0.000 1.020 186 I CA -0.981 60.308 61.300 -0.018 0.000 1.088 186 I CB 2.412 40.403 38.000 -0.015 0.000 1.267 186 I HN 0.245 nan 8.210 nan 0.000 0.430 187 V N 6.726 126.627 119.914 -0.021 0.000 2.448 187 V HA 0.469 4.589 4.120 -0.000 0.000 0.295 187 V C -0.173 175.906 176.094 -0.026 0.000 1.025 187 V CA -0.452 61.799 62.300 -0.082 0.000 0.859 187 V CB 2.098 33.819 31.823 -0.170 0.000 0.988 187 V HN 0.471 nan 8.190 nan 0.000 0.431 188 I N 3.967 124.535 120.570 -0.003 0.000 2.354 188 I HA 0.341 4.511 4.170 -0.000 0.000 0.286 188 I C -0.669 175.507 176.117 0.097 0.000 1.007 188 I CA -0.336 61.024 61.300 0.100 0.000 1.167 188 I CB 1.602 39.700 38.000 0.165 0.000 1.320 188 I HN 0.524 nan 8.210 nan 0.000 0.458 189 D N 5.925 126.405 120.400 0.133 0.000 2.396 189 D HA 0.265 4.905 4.640 -0.000 0.000 0.225 189 D C -0.370 176.052 176.300 0.204 0.000 1.121 189 D CA 0.436 54.526 54.000 0.151 0.000 0.853 189 D CB 0.837 41.761 40.800 0.207 0.000 1.043 189 D HN 0.499 nan 8.370 nan 0.000 0.500 190 S N 3.338 119.123 115.700 0.142 0.000 3.225 190 S HA -0.132 4.338 4.470 -0.000 0.000 0.812 190 S C 0.380 175.060 174.600 0.134 0.000 0.610 190 S CA -0.434 57.829 58.200 0.106 0.000 1.518 190 S CB -1.113 62.121 63.200 0.056 0.000 1.023 190 S HN 0.603 nan 8.310 nan 0.000 0.891 191 L N 3.325 124.626 121.223 0.130 0.000 2.611 191 L HA 0.177 4.517 4.340 -0.000 0.000 0.229 191 L C 1.455 178.406 176.870 0.135 0.000 1.137 191 L CA 0.164 55.105 54.840 0.169 0.000 0.901 191 L CB -0.157 41.992 42.059 0.151 0.000 1.098 191 L HN 0.642 nan 8.230 nan 0.000 0.456 192 K N 0.156 120.599 120.400 0.072 0.000 2.188 192 K HA -0.065 4.255 4.320 -0.000 0.000 0.246 192 K C 0.656 177.275 176.600 0.032 0.000 1.026 192 K CA 0.293 56.595 56.287 0.026 0.000 0.871 192 K CB 0.492 32.972 32.500 -0.033 0.000 1.042 192 K HN 0.118 nan 8.250 nan 0.000 0.509 193 N N -1.832 116.872 118.700 0.007 0.000 3.078 193 N HA -0.270 4.470 4.740 -0.000 0.000 0.221 193 N C 0.234 175.826 175.510 0.137 0.000 0.163 193 N CA 1.692 54.761 53.050 0.032 0.000 3.866 193 N CB -1.629 36.818 38.487 -0.067 0.000 1.005 193 N HN 0.471 nan 8.380 nan 0.000 0.246 194 V N 3.193 123.259 119.914 0.253 0.000 3.051 194 V HA 0.390 4.510 4.120 -0.000 0.000 0.306 194 V C 1.375 177.571 176.094 0.169 0.000 1.083 194 V CA 0.135 62.594 62.300 0.264 0.000 1.104 194 V CB -0.072 31.998 31.823 0.412 0.000 1.027 194 V HN 0.396 nan 8.190 nan 0.000 0.483 208 S N 5.800 121.464 115.700 -0.060 0.000 2.584 208 S HA 0.333 4.803 4.470 -0.000 0.000 0.270 208 S C 1.189 175.760 174.600 -0.047 0.000 1.346 208 S CA -0.194 57.951 58.200 -0.091 0.000 1.018 208 S CB 1.212 64.300 63.200 -0.187 0.000 0.899 208 S HN 0.689 nan 8.310 nan 0.000 0.542 209 R N 1.308 121.789 120.500 -0.030 0.000 2.096 209 R HA -0.037 4.303 4.340 -0.000 0.000 0.235 209 R C 2.537 178.887 176.300 0.083 0.000 1.127 209 R CA 1.353 57.480 56.100 0.044 0.000 0.968 209 R CB -1.104 29.214 30.300 0.029 0.000 0.861 209 R HN 0.879 nan 8.270 nan 0.000 0.440 210 G N 0.665 109.450 108.800 -0.025 0.000 2.421 210 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.216 210 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.216 210 G C 1.541 176.457 174.900 0.026 0.000 1.171 210 G CA 0.771 45.884 45.100 0.021 0.000 0.775 210 G HN 0.406 nan 8.290 nan 0.000 0.543 211 A N 0.260 122.922 122.820 -0.263 0.000 1.902 211 A HA 0.049 4.369 4.320 -0.000 0.000 0.217 211 A C 2.187 179.860 177.584 0.149 0.000 1.181 211 A CA 1.601 53.621 52.037 -0.028 0.000 0.623 211 A CB -0.548 18.395 19.000 -0.095 0.000 0.818 211 A HN 0.388 nan 8.150 nan 0.000 0.443 212 F N 1.131 121.086 119.950 0.009 0.000 2.146 212 F HA -0.139 4.388 4.527 -0.000 0.000 0.298 212 F C 1.787 177.621 175.800 0.057 0.000 1.096 212 F CA 1.898 59.918 58.000 0.033 0.000 1.275 212 F CB -0.119 38.888 39.000 0.012 0.000 1.008 212 F HN 0.230 nan 8.300 nan 0.000 0.480 213 D N 0.437 120.912 120.400 0.124 0.000 2.097 213 D HA -0.184 4.456 4.640 -0.000 0.000 0.195 213 D C 2.536 178.834 176.300 -0.005 0.000 0.989 213 D CA 1.022 55.050 54.000 0.048 0.000 0.827 213 D CB -0.701 40.175 40.800 0.127 0.000 0.966 213 D HN 0.236 nan 8.370 nan 0.000 0.456 214 L N 1.009 122.284 121.223 0.087 0.000 2.012 214 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 214 L C 2.290 179.164 176.870 0.006 0.000 1.073 214 L CA 1.345 56.231 54.840 0.078 0.000 0.748 214 L CB -0.820 41.379 42.059 0.233 0.000 0.891 214 L HN 0.076 nan 8.230 nan 0.000 0.431 215 L N 0.325 121.539 121.223 -0.015 0.000 2.127 215 L HA -0.176 4.164 4.340 -0.000 0.000 0.211 215 L C 2.563 179.351 176.870 -0.136 0.000 1.089 215 L CA 2.290 57.091 54.840 -0.064 0.000 0.757 215 L CB -0.618 41.388 42.059 -0.087 0.000 0.899 215 L HN 0.529 nan 8.230 nan 0.000 0.434 216 S N -3.229 112.335 115.700 -0.227 0.000 2.556 216 S HA 0.112 4.582 4.470 -0.000 0.000 0.216 216 S C 1.139 175.680 174.600 -0.097 0.000 0.970 216 S CA 0.117 58.197 58.200 -0.200 0.000 0.912 216 S CB -0.109 62.892 63.200 -0.332 0.000 0.790 216 S HN 0.433 nan 8.310 nan 0.000 0.504 217 D N 1.448 121.806 120.400 -0.070 0.000 2.525 217 D HA 0.264 4.904 4.640 -0.000 0.000 0.248 217 D C 1.707 177.988 176.300 -0.031 0.000 1.000 217 D CA 0.064 54.042 54.000 -0.036 0.000 0.923 217 D CB -0.315 40.464 40.800 -0.035 0.000 1.101 217 D HN 0.312 nan 8.370 nan 0.000 0.493 218 I N 1.559 122.103 120.570 -0.043 0.000 2.185 218 I HA -0.259 3.911 4.170 -0.000 0.000 0.246 218 I C 2.110 178.224 176.117 -0.006 0.000 1.088 218 I CA 1.770 63.045 61.300 -0.041 0.000 1.347 218 I CB -0.067 37.904 38.000 -0.048 0.000 1.041 218 I HN 0.015 nan 8.210 nan 0.000 0.415 219 G N -0.169 108.630 108.800 -0.003 0.000 2.421 219 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.216 219 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.216 219 G C 1.724 176.644 174.900 0.033 0.000 1.171 219 G CA 0.764 45.869 45.100 0.008 0.000 0.775 219 G HN 0.573 nan 8.290 nan 0.000 0.543 220 A N 0.419 123.266 122.820 0.045 0.000 1.930 220 A HA 0.071 4.391 4.320 -0.000 0.000 0.217 220 A C 2.478 180.166 177.584 0.173 0.000 1.175 220 A CA 1.774 53.864 52.037 0.088 0.000 0.627 220 A CB -0.341 18.710 19.000 0.085 0.000 0.815 220 A HN 0.393 nan 8.150 nan 0.000 0.443 221 M N -0.460 119.235 119.600 0.159 0.000 2.086 221 M HA -0.161 4.319 4.480 -0.000 0.000 0.261 221 M C 2.563 179.125 176.300 0.438 0.000 1.067 221 M CA 1.623 57.094 55.300 0.285 0.000 1.116 221 M CB -0.444 32.140 32.600 -0.027 0.000 1.348 221 M HN 0.465 nan 8.290 nan 0.000 0.407 222 A N 0.313 123.263 122.820 0.217 0.000 1.877 222 A HA -0.051 4.269 4.320 -0.000 0.000 0.216 222 A C 2.371 180.036 177.584 0.136 0.000 1.186 222 A CA 1.935 54.081 52.037 0.182 0.000 0.620 222 A CB -1.049 18.000 19.000 0.082 0.000 0.822 222 A HN 0.504 nan 8.150 nan 0.000 0.443 223 A N -0.696 122.165 122.820 0.069 0.000 1.972 223 A HA -0.056 4.264 4.320 -0.000 0.000 0.219 223 A C 2.412 179.962 177.584 -0.056 0.000 1.169 223 A CA 2.036 54.044 52.037 -0.047 0.000 0.635 223 A CB -0.746 18.215 19.000 -0.066 0.000 0.810 223 A HN 0.445 nan 8.150 nan 0.000 0.446 224 S N -0.923 114.853 115.700 0.126 0.000 2.383 224 S HA -0.114 4.356 4.470 -0.000 0.000 0.227 224 S C 2.084 176.805 174.600 0.201 0.000 1.026 224 S CA 1.532 59.849 58.200 0.194 0.000 0.981 224 S CB -0.226 63.113 63.200 0.232 0.000 0.818 224 S HN 0.654 nan 8.310 nan 0.000 0.472 225 R N 0.891 121.476 120.500 0.141 0.000 2.119 225 R HA 0.094 4.434 4.340 -0.000 0.000 0.222 225 R C 1.295 177.794 176.300 0.331 0.000 1.088 225 R CA 1.348 57.506 56.100 0.097 0.000 0.984 225 R CB -0.424 30.009 30.300 0.222 0.000 0.884 225 R HN 0.398 nan 8.270 nan 0.000 0.447 226 G N -0.829 108.105 108.800 0.222 0.000 2.131 226 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.223 226 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.223 226 G C 0.213 175.256 174.900 0.238 0.000 0.990 226 G CA 0.122 45.331 45.100 0.182 0.000 0.671 226 G HN 0.589 nan 8.290 nan 0.000 0.521 227 C N -0.972 118.456 119.300 0.214 0.000 2.349 227 C HA 0.920 5.380 4.460 -0.000 0.000 0.361 227 C C 0.689 175.689 174.990 0.016 0.000 1.189 227 C CA -0.932 58.127 59.018 0.068 0.000 2.155 227 C CB 1.824 29.644 27.740 0.132 0.000 2.336 227 C HN 1.044 nan 8.230 nan 0.000 0.540 228 V N 1.988 121.878 119.914 -0.040 0.000 2.495 228 V HA 0.671 4.791 4.120 -0.000 0.000 0.298 228 V C -0.653 175.416 176.094 -0.043 0.000 1.031 228 V CA -0.243 62.035 62.300 -0.036 0.000 0.871 228 V CB 1.805 33.597 31.823 -0.052 0.000 0.988 228 V HN 0.911 nan 8.190 nan 0.000 0.432 229 V N 8.344 128.240 119.914 -0.030 0.000 2.347 229 V HA 0.485 4.605 4.120 -0.000 0.000 0.280 229 V C -0.017 176.049 176.094 -0.047 0.000 1.021 229 V CA -0.339 61.939 62.300 -0.036 0.000 0.847 229 V CB 1.395 33.205 31.823 -0.022 0.000 0.990 229 V HN 0.717 nan 8.190 nan 0.000 0.444 230 I N 4.910 125.434 120.570 -0.077 0.000 2.306 230 I HA 0.635 4.805 4.170 -0.000 0.000 0.288 230 I C 0.461 176.532 176.117 -0.076 0.000 1.036 230 I CA -0.138 61.101 61.300 -0.101 0.000 1.221 230 I CB 1.192 39.083 38.000 -0.181 0.000 1.385 230 I HN 0.638 nan 8.210 nan 0.000 0.472 231 A N 4.898 127.698 122.820 -0.034 0.000 2.318 231 A HA 0.700 5.020 4.320 -0.000 0.000 0.324 231 A C 0.108 177.698 177.584 0.010 0.000 1.170 231 A CA -0.549 51.494 52.037 0.009 0.000 0.810 231 A CB 1.042 20.076 19.000 0.056 0.000 1.198 231 A HN 0.683 nan 8.150 nan 0.000 0.484 232 S N 1.474 117.187 115.700 0.021 0.000 2.562 232 S HA 0.665 5.135 4.470 -0.000 0.000 0.275 232 S C -0.610 174.027 174.600 0.062 0.000 1.281 232 S CA -0.461 57.759 58.200 0.033 0.000 1.045 232 S CB 1.157 64.377 63.200 0.034 0.000 0.962 232 S HN 1.469 nan 8.310 nan 0.000 0.503 233 L N 2.336 123.600 121.223 0.067 0.000 2.555 233 L HA 0.550 4.890 4.340 -0.000 0.000 0.264 233 L C -1.688 175.222 176.870 0.067 0.000 0.972 233 L CA -0.446 54.435 54.840 0.068 0.000 0.876 233 L CB 1.330 43.429 42.059 0.067 0.000 1.216 233 L HN 0.765 nan 8.230 nan 0.000 0.415 234 N N 6.396 125.129 118.700 0.056 0.000 2.444 234 N HA 0.473 5.213 4.740 -0.000 0.000 0.271 234 N C -2.176 173.356 175.510 0.037 0.000 1.069 234 N CA -1.181 51.898 53.050 0.049 0.000 0.965 234 N CB 1.155 39.665 38.487 0.038 0.000 1.092 234 N HN 0.441 nan 8.380 nan 0.000 0.476 235 P HA 0.011 nan 4.420 nan 0.000 0.261 235 P C 0.169 177.479 177.300 0.017 0.000 1.650 235 P CA 0.055 63.171 63.100 0.026 0.000 0.846 235 P CB -0.176 31.538 31.700 0.023 0.000 1.758 236 T N -0.010 114.553 114.554 0.015 0.000 2.217 236 T HA -0.211 4.139 4.350 -0.000 0.000 0.206 236 T C 1.014 175.717 174.700 0.004 0.000 1.634 236 T CA 1.460 63.564 62.100 0.007 0.000 1.183 236 T CB -1.046 67.823 68.868 0.001 0.000 0.861 236 T HN 0.363 nan 8.240 nan 0.000 0.392 237 S N 1.616 117.319 115.700 0.004 0.000 2.593 237 S HA -0.043 4.427 4.470 -0.000 0.000 0.300 237 S C 0.631 175.234 174.600 0.005 0.000 1.267 237 S CA -0.072 58.130 58.200 0.003 0.000 1.065 237 S CB -0.367 62.836 63.200 0.004 0.000 0.807 237 S HN 0.449 nan 8.310 nan 0.000 0.499 238 N N 3.083 121.784 118.700 0.003 0.000 2.378 238 N HA 0.046 4.786 4.740 -0.000 0.000 0.243 238 N C -1.014 174.498 175.510 0.003 0.000 1.137 238 N CA -0.168 52.884 53.050 0.003 0.000 0.862 238 N CB 0.200 38.687 38.487 0.000 0.000 1.116 238 N HN 0.608 nan 8.380 nan 0.000 0.499 239 D N 1.503 121.906 120.400 0.005 0.000 2.352 239 D HA -0.031 4.609 4.640 -0.000 0.000 0.245 239 D C 1.221 177.526 176.300 0.008 0.000 1.224 239 D CA -0.489 53.515 54.000 0.005 0.000 0.879 239 D CB 0.569 41.373 40.800 0.005 0.000 1.057 239 D HN 0.217 nan 8.370 nan 0.000 0.491 240 D N 3.676 124.080 120.400 0.007 0.000 2.369 240 D HA -0.308 4.332 4.640 -0.000 0.000 0.213 240 D C 1.198 177.505 176.300 0.012 0.000 0.982 240 D CA 0.934 54.940 54.000 0.009 0.000 0.931 240 D CB 0.021 40.825 40.800 0.007 0.000 0.889 240 D HN 0.680 nan 8.370 nan 0.000 0.487 241 K N 1.220 121.628 120.400 0.013 0.000 2.243 241 K HA -0.020 4.300 4.320 -0.000 0.000 0.201 241 K C 2.437 179.051 176.600 0.023 0.000 1.051 241 K CA 0.819 57.116 56.287 0.016 0.000 0.970 241 K CB -0.323 32.184 32.500 0.012 0.000 0.755 241 K HN 0.409 nan 8.250 nan 0.000 0.465 242 I N -2.422 118.161 120.570 0.023 0.000 4.035 242 I HA 0.111 4.281 4.170 -0.000 0.000 0.321 242 I C 1.374 177.508 176.117 0.029 0.000 1.289 242 I CA -0.260 61.058 61.300 0.030 0.000 1.236 242 I CB 0.515 38.532 38.000 0.028 0.000 1.076 242 I HN -0.192 nan 8.210 nan 0.000 0.418 243 V N 1.687 121.615 119.914 0.022 0.000 2.626 243 V HA -0.161 3.959 4.120 -0.000 0.000 0.252 243 V C 2.491 178.599 176.094 0.023 0.000 1.067 243 V CA 2.024 64.336 62.300 0.020 0.000 1.081 243 V CB -0.685 31.146 31.823 0.014 0.000 0.686 243 V HN 0.427 nan 8.190 nan 0.000 0.468 244 E N -0.061 120.154 120.200 0.025 0.000 2.318 244 E HA -0.062 4.288 4.350 -0.000 0.000 0.193 244 E C 1.744 178.365 176.600 0.036 0.000 0.998 244 E CA 0.301 56.717 56.400 0.027 0.000 0.859 244 E CB -0.075 29.640 29.700 0.025 0.000 0.812 244 E HN 0.437 nan 8.360 nan 0.000 0.492 245 L N -0.563 120.685 121.223 0.042 0.000 2.313 245 L HA 0.026 4.366 4.340 -0.000 0.000 0.214 245 L C 1.657 178.557 176.870 0.050 0.000 1.119 245 L CA 1.046 55.919 54.840 0.055 0.000 0.809 245 L CB -0.039 42.059 42.059 0.064 0.000 0.933 245 L HN 0.024 nan 8.230 nan 0.000 0.449 246 V N -0.553 119.385 119.914 0.041 0.000 2.446 246 V HA -0.154 3.966 4.120 -0.000 0.000 0.244 246 V C 2.393 178.507 176.094 0.033 0.000 1.039 246 V CA 1.475 63.799 62.300 0.039 0.000 1.045 246 V CB -0.509 31.336 31.823 0.036 0.000 0.681 246 V HN 0.393 nan 8.190 nan 0.000 0.459 247 K N -0.050 120.367 120.400 0.028 0.000 2.288 247 K HA -0.171 4.149 4.320 -0.000 0.000 0.201 247 K C 2.067 178.681 176.600 0.023 0.000 1.048 247 K CA 1.188 57.489 56.287 0.023 0.000 0.956 247 K CB 0.050 32.562 32.500 0.019 0.000 0.746 247 K HN 0.375 nan 8.250 nan 0.000 0.461 248 E N 1.375 121.592 120.200 0.029 0.000 2.060 248 E HA -0.036 4.314 4.350 -0.000 0.000 0.189 248 E C 1.836 178.450 176.600 0.023 0.000 0.974 248 E CA 1.246 57.663 56.400 0.029 0.000 0.808 248 E CB -0.150 29.575 29.700 0.042 0.000 0.768 248 E HN 0.184 nan 8.360 nan 0.000 0.453 249 A N 0.175 123.011 122.820 0.027 0.000 1.883 249 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 249 A C 2.443 180.036 177.584 0.015 0.000 1.186 249 A CA 2.205 54.253 52.037 0.019 0.000 0.624 249 A CB -0.896 18.123 19.000 0.031 0.000 0.822 249 A HN 0.311 nan 8.150 nan 0.000 0.444 250 S N -1.020 114.692 115.700 0.020 0.000 2.368 250 S HA -0.139 4.331 4.470 -0.000 0.000 0.224 250 S C 2.091 176.696 174.600 0.007 0.000 1.029 250 S CA 1.303 59.513 58.200 0.016 0.000 0.988 250 S CB -0.313 62.900 63.200 0.022 0.000 0.838 250 S HN 0.660 nan 8.310 nan 0.000 0.462 251 R N 0.942 121.446 120.500 0.008 0.000 2.057 251 R HA 0.019 4.359 4.340 -0.000 0.000 0.229 251 R C 1.724 178.023 176.300 -0.001 0.000 1.136 251 R CA 1.717 57.819 56.100 0.003 0.000 0.952 251 R CB -0.192 30.112 30.300 0.007 0.000 0.848 251 R HN 0.292 nan 8.270 nan 0.000 0.430 252 S N 0.067 115.768 115.700 0.001 0.000 2.502 252 S HA 0.170 4.640 4.470 -0.000 0.000 0.215 252 S C 0.735 175.329 174.600 -0.010 0.000 1.009 252 S CA -0.237 57.962 58.200 -0.002 0.000 0.908 252 S CB 0.462 63.665 63.200 0.005 0.000 0.801 252 S HN 0.369 nan 8.310 nan 0.000 0.505 253 N N 1.384 120.077 118.700 -0.012 0.000 2.205 253 N HA 0.223 4.963 4.740 -0.000 0.000 0.201 253 N C -0.526 174.975 175.510 -0.015 0.000 1.128 253 N CA 0.141 53.179 53.050 -0.021 0.000 0.867 253 N CB 0.749 39.217 38.487 -0.033 0.000 0.996 253 N HN 0.129 nan 8.380 nan 0.000 0.503 254 S N -0.567 115.126 115.700 -0.012 0.000 2.501 254 S HA 0.315 4.785 4.470 -0.000 0.000 0.301 254 S C 1.082 175.668 174.600 -0.024 0.000 1.096 254 S CA -0.537 57.655 58.200 -0.013 0.000 1.063 254 S CB 2.439 65.636 63.200 -0.006 0.000 1.042 254 S HN 0.046 nan 8.310 nan 0.000 0.494 255 T N 1.718 116.255 114.554 -0.028 0.000 2.937 255 T HA 0.134 4.484 4.350 -0.000 0.000 0.260 255 T C 0.479 175.146 174.700 -0.055 0.000 1.051 255 T CA 0.658 62.730 62.100 -0.047 0.000 1.141 255 T CB 0.115 68.954 68.868 -0.047 0.000 0.879 255 T HN 0.490 nan 8.240 nan 0.000 0.459 256 S N -0.102 115.578 115.700 -0.033 0.000 2.595 256 S HA 0.706 5.176 4.470 -0.000 0.000 0.281 256 S C -1.486 173.105 174.600 -0.015 0.000 1.117 256 S CA -0.766 57.417 58.200 -0.029 0.000 0.873 256 S CB 2.265 65.464 63.200 -0.001 0.000 1.108 256 S HN 0.212 nan 8.310 nan 0.000 0.477 257 L N 2.172 123.386 121.223 -0.016 0.000 2.386 257 L HA 0.732 5.072 4.340 -0.000 0.000 0.271 257 L C -1.672 175.203 176.870 0.010 0.000 0.993 257 L CA -0.712 54.128 54.840 0.001 0.000 0.819 257 L CB 1.781 43.840 42.059 -0.001 0.000 1.294 257 L HN 0.464 nan 8.230 nan 0.000 0.414 258 V N 5.627 125.566 119.914 0.041 0.000 2.409 258 V HA 0.440 4.560 4.120 -0.000 0.000 0.290 258 V C -0.179 176.045 176.094 0.217 0.000 1.017 258 V CA -0.444 61.908 62.300 0.086 0.000 0.841 258 V CB 1.589 33.418 31.823 0.010 0.000 1.003 258 V HN 0.581 nan 8.190 nan 0.000 0.426 259 I N 2.321 123.032 120.570 0.235 0.000 2.569 259 I HA 0.836 5.006 4.170 -0.000 0.000 0.296 259 I C 0.406 176.597 176.117 0.123 0.000 1.028 259 I CA -0.494 60.932 61.300 0.211 0.000 1.082 259 I CB 2.433 40.473 38.000 0.067 0.000 1.264 259 I HN 0.555 nan 8.210 nan 0.000 0.429 260 S N 3.167 118.750 115.700 -0.195 0.000 2.593 260 S HA 0.553 5.023 4.470 -0.000 0.000 0.269 260 S C 0.317 174.688 174.600 -0.382 0.000 1.334 260 S CA 0.025 57.771 58.200 -0.756 0.000 1.015 260 S CB 1.157 63.747 63.200 -1.016 0.000 0.912 260 S HN 0.918 nan 8.310 nan 0.000 0.541 261 T N -2.051 112.266 114.554 -0.394 0.000 2.804 261 T HA 0.467 4.817 4.350 -0.000 0.000 0.272 261 T C 0.052 174.635 174.700 -0.194 0.000 0.986 261 T CA -0.276 61.695 62.100 -0.215 0.000 0.999 261 T CB 0.670 69.447 68.868 -0.152 0.000 1.307 261 T HN 0.574 nan 8.240 nan 0.000 0.586 262 D N -0.434 119.892 120.400 -0.123 0.000 2.349 262 D HA 0.108 4.748 4.640 -0.000 0.000 0.224 262 D C 0.392 176.641 176.300 -0.086 0.000 1.029 262 D CA -0.045 53.898 54.000 -0.095 0.000 0.879 262 D CB -0.483 40.280 40.800 -0.063 0.000 0.906 262 D HN 0.307 nan 8.370 nan 0.000 0.528 263 V N 1.719 121.574 119.914 -0.097 0.000 2.394 263 V HA 0.103 4.223 4.120 -0.000 0.000 0.282 263 V C 0.046 176.083 176.094 -0.094 0.000 1.031 263 V CA -1.002 61.256 62.300 -0.070 0.000 0.881 263 V CB 1.467 33.263 31.823 -0.044 0.000 0.982 263 V HN 0.015 nan 8.190 nan 0.000 0.451 264 D N 4.014 124.380 120.400 -0.057 0.000 2.487 264 D HA 0.256 4.896 4.640 -0.000 0.000 0.243 264 D C 1.263 177.550 176.300 -0.022 0.000 1.154 264 D CA 1.699 55.673 54.000 -0.042 0.000 0.876 264 D CB 1.217 42.024 40.800 0.011 0.000 1.161 264 D HN 0.993 nan 8.370 nan 0.000 0.478 265 G N 2.711 111.491 108.800 -0.035 0.000 2.205 265 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.261 265 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.261 265 G C 0.377 175.314 174.900 0.061 0.000 0.980 265 G CA 0.434 45.562 45.100 0.046 0.000 0.632 265 G HN 0.594 nan 8.290 nan 0.000 0.533 266 E N -0.351 119.790 120.200 -0.097 0.000 2.216 266 E HA 0.562 4.912 4.350 -0.000 0.000 0.279 266 E C -0.629 175.834 176.600 -0.227 0.000 0.997 266 E CA -1.050 55.327 56.400 -0.039 0.000 0.817 266 E CB 0.674 30.351 29.700 -0.038 0.000 1.096 266 E HN 0.289 nan 8.360 nan 0.000 0.393 267 W N 1.792 123.073 121.300 -0.032 0.000 2.950 267 W HA 0.345 5.005 4.660 0.000 0.000 0.340 267 W C -0.568 175.912 176.519 -0.066 0.000 1.139 267 W CA -0.639 56.680 57.345 -0.044 0.000 1.188 267 W CB 1.617 31.048 29.460 -0.048 0.000 1.426 267 W HN 0.408 nan 8.180 nan 0.000 0.531 268 Q N 1.227 121.118 119.800 0.152 0.000 2.333 268 Q HA 0.641 4.981 4.340 -0.000 0.000 0.267 268 Q C -1.401 174.577 176.000 -0.037 0.000 1.012 268 Q CA -0.593 55.217 55.803 0.011 0.000 0.824 268 Q CB 1.944 30.676 28.738 -0.010 0.000 1.290 268 Q HN 0.379 nan 8.270 nan 0.000 0.449 269 V N 5.154 124.934 119.914 -0.223 0.000 2.370 269 V HA 0.388 4.508 4.120 -0.000 0.000 0.283 269 V C -0.679 175.278 176.094 -0.228 0.000 1.023 269 V CA -0.745 61.390 62.300 -0.276 0.000 0.857 269 V CB 1.305 32.763 31.823 -0.608 0.000 0.985 269 V HN 0.645 nan 8.190 nan 0.000 0.443 270 L N 4.769 125.922 121.223 -0.117 0.000 2.325 270 L HA 0.628 4.968 4.340 -0.000 0.000 0.281 270 L C 0.103 176.920 176.870 -0.088 0.000 1.004 270 L CA 0.100 54.886 54.840 -0.090 0.000 0.823 270 L CB 1.499 43.524 42.059 -0.057 0.000 1.236 270 L HN 0.800 nan 8.230 nan 0.000 0.415 271 T N 2.891 117.378 114.554 -0.111 0.000 2.848 271 T HA 0.539 4.889 4.350 -0.000 0.000 0.285 271 T C -0.153 174.417 174.700 -0.217 0.000 0.995 271 T CA -0.782 61.230 62.100 -0.146 0.000 0.970 271 T CB 1.376 70.156 68.868 -0.147 0.000 0.976 271 T HN 0.572 nan 8.240 nan 0.000 0.441 272 R N 3.312 123.687 120.500 -0.209 0.000 2.210 272 R HA 0.282 4.622 4.340 -0.000 0.000 0.338 272 R C 1.582 177.653 176.300 -0.383 0.000 1.062 272 R CA -0.036 55.928 56.100 -0.227 0.000 0.902 272 R CB 0.621 30.834 30.300 -0.145 0.000 1.050 272 R HN 0.909 nan 8.270 nan 0.000 0.461 273 T N -0.766 113.489 114.554 -0.499 0.000 3.113 273 T HA 0.194 4.544 4.350 -0.000 0.000 0.256 273 T C 0.904 175.343 174.700 -0.434 0.000 1.131 273 T CA 0.307 61.924 62.100 -0.805 0.000 1.074 273 T CB 0.335 68.654 68.868 -0.915 0.000 0.944 273 T HN 0.699 nan 8.240 nan 0.000 0.516 274 G N 0.391 109.043 108.800 -0.247 0.000 2.336 274 G HA2 0.245 4.205 3.960 -0.000 0.000 0.300 274 G HA3 0.245 4.205 3.960 -0.000 0.000 0.300 274 G C -1.657 173.196 174.900 -0.077 0.000 1.375 274 G CA -0.983 44.034 45.100 -0.139 0.000 0.885 274 G HN 0.289 nan 8.290 nan 0.000 0.599 275 E N 0.139 120.313 120.200 -0.044 0.000 2.491 275 E HA 0.363 4.713 4.350 -0.000 0.000 0.250 275 E C 1.499 178.103 176.600 0.006 0.000 1.061 275 E CA 1.381 57.775 56.400 -0.010 0.000 0.942 275 E CB -0.294 29.411 29.700 0.008 0.000 0.957 275 E HN 2.197 nan 8.360 nan 0.000 0.480 276 G N 3.578 112.388 108.800 0.017 0.000 2.189 276 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.267 276 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.267 276 G C 0.027 174.944 174.900 0.029 0.000 0.975 276 G CA 0.426 45.548 45.100 0.037 0.000 0.644 276 G HN 0.426 nan 8.290 nan 0.000 0.537 277 L N 0.152 121.379 121.223 0.006 0.000 2.469 277 L HA 0.515 4.855 4.340 -0.000 0.000 0.253 277 L C 1.197 178.064 176.870 -0.006 0.000 1.143 277 L CA -0.474 54.377 54.840 0.019 0.000 0.804 277 L CB 0.246 42.308 42.059 0.005 0.000 1.214 277 L HN 0.345 nan 8.230 nan 0.000 0.476 278 Q N 0.329 120.137 119.800 0.012 0.000 2.373 278 Q HA 0.235 4.575 4.340 -0.000 0.000 0.255 278 Q C -0.262 175.700 176.000 -0.063 0.000 0.980 278 Q CA -0.115 55.685 55.803 -0.005 0.000 0.882 278 Q CB 0.733 29.491 28.738 0.033 0.000 1.249 278 Q HN 0.281 nan 8.270 nan 0.000 0.438 279 R N 2.921 123.388 120.500 -0.057 0.000 2.221 279 R HA 0.327 4.667 4.340 -0.000 0.000 0.327 279 R C -0.949 175.312 176.300 -0.065 0.000 1.033 279 R CA -0.214 55.835 56.100 -0.085 0.000 0.887 279 R CB 0.321 30.584 30.300 -0.062 0.000 1.057 279 R HN 0.551 nan 8.270 nan 0.000 0.455 280 L N 2.156 123.325 121.223 -0.090 0.000 2.358 280 L HA 0.550 4.890 4.340 -0.000 0.000 0.268 280 L C 0.314 177.165 176.870 -0.033 0.000 1.032 280 L CA -0.754 54.065 54.840 -0.035 0.000 0.805 280 L CB 1.917 43.969 42.059 -0.012 0.000 1.253 280 L HN 0.627 nan 8.230 nan 0.000 0.452 281 T N 0.182 114.737 114.554 0.002 0.000 2.956 281 T HA 0.518 4.868 4.350 -0.000 0.000 0.312 281 T C -1.362 173.352 174.700 0.022 0.000 1.151 281 T CA -0.507 61.574 62.100 -0.031 0.000 1.024 281 T CB 0.935 69.782 68.868 -0.033 0.000 1.140 281 T HN 0.871 nan 8.240 nan 0.000 0.473 282 H N 0.615 119.611 119.070 -0.122 0.000 2.990 282 H HA 0.624 5.180 4.556 -0.000 0.000 0.336 282 H C -1.499 173.770 175.328 -0.099 0.000 1.306 282 H CA -0.742 55.209 56.048 -0.162 0.000 1.118 282 H CB 1.315 30.788 29.762 -0.482 0.000 1.856 282 H HN 0.540 nan 8.280 nan 0.000 0.538 283 T N 1.684 116.276 114.554 0.063 0.000 2.945 283 T HA 0.484 4.834 4.350 -0.000 0.000 0.286 283 T C -0.522 174.279 174.700 0.169 0.000 1.025 283 T CA -0.661 61.476 62.100 0.061 0.000 1.039 283 T CB 1.260 70.176 68.868 0.080 0.000 1.068 283 T HN 0.252 nan 8.240 nan 0.000 0.497 284 L N 2.724 124.044 121.223 0.162 0.000 2.386 284 L HA 0.501 4.841 4.340 -0.000 0.000 0.271 284 L C -0.585 176.395 176.870 0.182 0.000 0.993 284 L CA -0.592 54.370 54.840 0.203 0.000 0.819 284 L CB 2.079 44.254 42.059 0.193 0.000 1.294 284 L HN 0.487 nan 8.230 nan 0.000 0.414 285 Q N 1.774 121.655 119.800 0.135 0.000 2.309 285 Q HA 0.807 5.147 4.340 -0.000 0.000 0.264 285 Q C -0.348 175.546 176.000 -0.177 0.000 1.008 285 Q CA -0.497 55.353 55.803 0.077 0.000 0.853 285 Q CB 2.354 31.202 28.738 0.183 0.000 1.314 285 Q HN 0.755 nan 8.270 nan 0.000 0.448 286 T N -2.129 112.288 114.554 -0.228 0.000 2.864 286 T HA 0.868 5.218 4.350 -0.000 0.000 0.299 286 T C -0.589 173.910 174.700 -0.334 0.000 1.166 286 T CA -0.737 61.099 62.100 -0.440 0.000 1.007 286 T CB 1.759 70.510 68.868 -0.196 0.000 1.219 286 T HN 0.596 nan 8.240 nan 0.000 0.506 287 S N 0.055 115.569 115.700 -0.312 0.000 2.547 287 S HA 0.637 5.107 4.470 -0.000 0.000 0.270 287 S C -1.830 172.689 174.600 -0.136 0.000 1.150 287 S CA -1.027 57.122 58.200 -0.084 0.000 0.850 287 S CB 0.714 64.029 63.200 0.191 0.000 1.118 287 S HN 0.723 nan 8.310 nan 0.000 0.461 288 Y N 0.956 121.300 120.300 0.073 0.000 2.320 288 Y HA 0.676 5.226 4.550 -0.000 0.000 0.324 288 Y C 1.288 177.219 175.900 0.051 0.000 1.190 288 Y CA 0.769 58.903 58.100 0.057 0.000 1.215 288 Y CB 1.429 39.920 38.460 0.051 0.000 1.221 288 Y HN 1.097 nan 8.280 nan 0.000 0.486 289 G N 0.868 109.800 108.800 0.220 0.000 3.134 289 G HA2 0.250 4.210 3.960 -0.000 0.000 0.158 289 G HA3 0.250 4.210 3.960 -0.000 0.000 0.158 289 G C -0.981 173.965 174.900 0.076 0.000 1.334 289 G CA -0.628 44.543 45.100 0.120 0.000 1.001 289 G HN 0.542 nan 8.290 nan 0.000 0.600 290 E N -0.478 119.724 120.200 0.003 0.000 2.313 290 E HA 0.276 4.626 4.350 -0.000 0.000 0.272 290 E C -0.248 176.307 176.600 -0.075 0.000 1.038 290 E CA -0.490 55.826 56.400 -0.141 0.000 0.863 290 E CB 0.206 29.736 29.700 -0.283 0.000 1.060 290 E HN 0.543 nan 8.360 nan 0.000 0.402 291 H N 2.073 121.160 119.070 0.028 0.000 2.820 291 H HA -0.168 4.388 4.556 0.000 0.000 0.295 291 H C 0.065 175.409 175.328 0.028 0.000 1.187 291 H CA 0.884 56.941 56.048 0.015 0.000 1.144 291 H CB -2.049 27.721 29.762 0.013 0.000 1.354 291 H HN 0.582 nan 8.280 nan 0.000 0.395 292 S N -2.843 112.924 115.700 0.112 0.000 3.476 292 S HA -0.177 4.293 4.470 -0.000 0.000 0.309 292 S C 0.754 175.539 174.600 0.309 0.000 1.222 292 S CA 0.681 58.960 58.200 0.133 0.000 0.922 292 S CB -1.292 61.919 63.200 0.018 0.000 1.023 292 S HN 0.376 nan 8.310 nan 0.000 0.591 293 V N 2.615 122.672 119.914 0.238 0.000 2.508 293 V HA 0.247 4.367 4.120 -0.000 0.000 0.281 293 V C 0.607 176.804 176.094 0.171 0.000 1.041 293 V CA -0.080 62.325 62.300 0.174 0.000 1.016 293 V CB 1.185 33.079 31.823 0.119 0.000 0.984 293 V HN 0.471 nan 8.190 nan 0.000 0.478 294 L N 5.391 126.655 121.223 0.069 0.000 2.325 294 L HA 0.588 4.928 4.340 -0.000 0.000 0.279 294 L C 0.054 176.864 176.870 -0.100 0.000 1.054 294 L CA 0.328 55.090 54.840 -0.130 0.000 0.804 294 L CB 1.889 43.795 42.059 -0.255 0.000 1.200 294 L HN 0.685 nan 8.230 nan 0.000 0.436 295 T N 5.514 119.996 114.554 -0.121 0.000 2.848 295 T HA 0.530 4.880 4.350 -0.000 0.000 0.285 295 T C -0.038 174.587 174.700 -0.126 0.000 0.995 295 T CA -0.308 61.764 62.100 -0.048 0.000 0.970 295 T CB 1.489 70.399 68.868 0.070 0.000 0.976 295 T HN 0.382 nan 8.240 nan 0.000 0.441 296 I N 4.409 124.961 120.570 -0.030 0.000 2.304 296 I HA 0.249 4.419 4.170 -0.000 0.000 0.291 296 I C 0.365 176.581 176.117 0.164 0.000 1.018 296 I CA -0.916 60.384 61.300 -0.001 0.000 1.260 296 I CB 0.511 38.584 38.000 0.122 0.000 1.390 296 I HN 0.544 nan 8.210 nan 0.000 0.475 297 H N 3.945 123.087 119.070 0.120 0.000 2.771 297 H HA 0.254 4.810 4.556 -0.000 0.000 0.364 297 H C 0.279 175.636 175.328 0.048 0.000 1.133 297 H CA -0.369 55.727 56.048 0.079 0.000 1.423 297 H CB 0.705 30.503 29.762 0.060 0.000 1.425 297 H HN 0.545 nan 8.280 nan 0.000 0.606 298 T N -1.319 113.297 114.554 0.104 0.000 2.881 298 T HA 0.413 4.763 4.350 -0.000 0.000 0.291 298 T C 0.313 174.991 174.700 -0.036 0.000 0.990 298 T CA -0.852 61.213 62.100 -0.059 0.000 0.976 298 T CB 1.005 69.705 68.868 -0.279 0.000 0.970 298 T HN 0.653 nan 8.240 nan 0.000 0.438 307 A N 1.537 124.378 122.820 0.035 0.000 2.351 307 A HA 0.672 4.992 4.320 -0.000 0.000 0.257 307 A C -0.009 177.582 177.584 0.011 0.000 1.087 307 A CA 0.253 52.302 52.037 0.020 0.000 0.798 307 A CB 0.586 19.600 19.000 0.023 0.000 1.033 307 A HN 1.023 nan 8.150 nan 0.000 0.488 308 S N 1.369 117.069 115.700 0.001 0.000 2.707 308 S HA 0.620 5.090 4.470 -0.000 0.000 0.303 308 S C 0.251 174.848 174.600 -0.004 0.000 1.132 308 S CA -0.091 58.107 58.200 -0.002 0.000 1.046 308 S CB 0.863 64.057 63.200 -0.010 0.000 1.004 308 S HN 1.604 nan 8.310 nan 0.000 0.483 309 G N 1.834 110.634 108.800 -0.000 0.000 2.720 309 G HA2 0.132 4.092 3.960 -0.000 0.000 0.237 309 G HA3 0.132 4.092 3.960 -0.000 0.000 0.237 309 G C 0.580 175.478 174.900 -0.003 0.000 1.239 309 G CA -0.484 44.616 45.100 -0.000 0.000 0.847 309 G HN 0.878 nan 8.290 nan 0.000 0.593 310 K N 0.468 120.867 120.400 -0.002 0.000 2.283 310 K HA -0.034 4.286 4.320 -0.000 0.000 0.202 310 K C 2.587 179.186 176.600 -0.002 0.000 1.048 310 K CA 1.259 57.544 56.287 -0.003 0.000 0.948 310 K CB -0.164 32.336 32.500 -0.000 0.000 0.742 310 K HN 0.484 nan 8.250 nan 0.000 0.458 311 A N 1.134 123.954 122.820 -0.000 0.000 1.872 311 A HA -0.076 4.244 4.320 -0.000 0.000 0.214 311 A C 1.947 179.530 177.584 -0.002 0.000 1.187 311 A CA 1.085 53.122 52.037 -0.000 0.000 0.614 311 A CB -0.422 18.578 19.000 0.001 0.000 0.826 311 A HN 0.289 nan 8.150 nan 0.000 0.442 312 I N -0.557 120.011 120.570 -0.002 0.000 2.454 312 I HA -0.238 3.932 4.170 -0.000 0.000 0.254 312 I C 2.690 178.803 176.117 -0.006 0.000 1.156 312 I CA 1.114 62.411 61.300 -0.004 0.000 1.433 312 I CB -0.343 37.655 38.000 -0.004 0.000 1.082 312 I HN 0.367 nan 8.210 nan 0.000 0.432 313 Q N 0.958 120.754 119.800 -0.007 0.000 2.050 313 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 313 Q C 2.189 178.186 176.000 -0.006 0.000 0.980 313 Q CA 2.127 57.925 55.803 -0.009 0.000 0.840 313 Q CB -0.254 28.479 28.738 -0.010 0.000 0.898 313 Q HN 0.417 nan 8.270 nan 0.000 0.424 314 T N 0.427 114.979 114.554 -0.004 0.000 2.995 314 T HA -0.023 4.327 4.350 -0.000 0.000 0.269 314 T C 1.858 176.556 174.700 -0.003 0.000 1.091 314 T CA 0.791 62.890 62.100 -0.002 0.000 1.128 314 T CB 0.040 68.908 68.868 0.001 0.000 0.891 314 T HN 0.052 nan 8.240 nan 0.000 0.492 315 V N 0.931 120.842 119.914 -0.004 0.000 2.626 315 V HA -0.068 4.052 4.120 -0.000 0.000 0.252 315 V C 2.190 178.279 176.094 -0.008 0.000 1.067 315 V CA 1.067 63.363 62.300 -0.006 0.000 1.081 315 V CB -0.442 31.377 31.823 -0.006 0.000 0.686 315 V HN 0.381 nan 8.190 nan 0.000 0.468 316 I N -0.685 119.880 120.570 -0.009 0.000 2.500 316 I HA -0.059 4.111 4.170 -0.000 0.000 0.252 316 I C 2.342 178.454 176.117 -0.007 0.000 1.142 316 I CA 1.220 62.513 61.300 -0.011 0.000 1.451 316 I CB -0.374 37.619 38.000 -0.011 0.000 1.093 316 I HN 0.100 nan 8.210 nan 0.000 0.430 317 K N 0.893 121.291 120.400 -0.003 0.000 2.057 317 K HA -0.105 4.215 4.320 -0.000 0.000 0.206 317 K C 1.549 178.149 176.600 0.000 0.000 1.050 317 K CA 1.416 57.703 56.287 0.001 0.000 0.935 317 K CB -0.896 31.606 32.500 0.003 0.000 0.715 317 K HN 0.492 nan 8.250 nan 0.000 0.439 318 N N 0.949 119.648 118.700 -0.002 0.000 2.609 318 N HA -0.121 4.619 4.740 -0.000 0.000 0.190 318 N C 0.749 176.255 175.510 -0.007 0.000 1.157 318 N CA 0.979 54.028 53.050 -0.003 0.000 0.918 318 N CB -0.227 38.258 38.487 -0.004 0.000 0.978 318 N HN 0.096 nan 8.380 nan 0.000 0.448 319 D N 0.855 121.249 120.400 -0.010 0.000 2.144 319 D HA -0.100 4.540 4.640 -0.000 0.000 0.200 319 D C 1.483 177.775 176.300 -0.013 0.000 0.978 319 D CA 1.014 55.003 54.000 -0.017 0.000 0.833 319 D CB -0.057 40.728 40.800 -0.025 0.000 0.961 319 D HN 0.490 nan 8.370 nan 0.000 0.470 320 E N 0.118 120.315 120.200 -0.005 0.000 2.152 320 E HA -0.024 4.326 4.350 -0.000 0.000 0.192 320 E C 1.113 177.714 176.600 0.002 0.000 0.983 320 E CA -0.062 56.339 56.400 0.002 0.000 0.818 320 E CB 0.276 29.983 29.700 0.011 0.000 0.758 320 E HN 0.273 nan 8.360 nan 0.000 0.467 321 L N 0.000 121.224 121.223 0.001 0.000 2.949 321 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 321 L CA 0.000 54.841 54.840 0.002 0.000 0.813 321 L CB 0.000 42.060 42.059 0.001 0.000 0.961 321 L HN 0.000 nan 8.230 nan 0.000 0.502