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 2jg1_1_D DATA FIRST_RESID -2 DATA SEQUENCE GSHXILTLTL NPSVDISYPL TALKLDDVNR VQEVSKTAGG KGLNVTRVLA DATA SEQUENCE QVGEPVLASG FIGGELGQFI AKKLDHADIK HAFYNIKGET RNCIAILHEG DATA SEQUENCE QQTEILEQGP EIDNQEAAGF IKHFEQXXEK VEAVAISGSL PKGLNQDYYA DATA SEQUENCE QIIERCQNKG VPVILDCSGA TLQTVLENPY KPTVIKPNIS ELYQLLNQPL DATA SEQUENCE DESLESLKQA VSQPLFEGIE WIIVSLGAQG AFAKHNHTFY RVNIPTISVL DATA SEQUENCE NPVGSGDSTV AGITSAILNH ENDHDLLKKA NTLGXLNAQE AQTGYVNLNN DATA SEQUENCE YDDLFNQIEV LEV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -2 G HA2 0.000 nan 3.960 nan 0.000 0.244 -2 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 -2 G C 0.000 174.914 174.900 0.024 0.000 0.946 -2 G CA 0.000 45.104 45.100 0.007 0.000 0.502 -1 S N -0.697 115.013 115.700 0.017 0.000 2.805 -1 S HA 0.030 4.500 4.470 -0.000 0.000 0.230 -1 S C 0.806 175.417 174.600 0.018 0.000 0.968 -1 S CA 0.741 58.940 58.200 -0.001 0.000 0.976 -1 S CB -0.681 62.506 63.200 -0.021 0.000 0.787 -1 S HN 0.851 nan 8.310 nan 0.000 0.533 3 L N 5.585 126.765 121.223 -0.073 0.000 2.296 3 L HA 0.750 5.089 4.340 -0.000 0.000 0.286 3 L C 0.116 176.995 176.870 0.015 0.000 1.023 3 L CA 0.297 55.113 54.840 -0.040 0.000 0.812 3 L CB 1.583 43.604 42.059 -0.064 0.000 1.223 3 L HN 0.721 nan 8.230 nan 0.000 0.421 4 T N 3.252 117.825 114.554 0.031 0.000 2.902 4 T HA 0.647 4.997 4.350 -0.000 0.000 0.283 4 T C -0.314 174.461 174.700 0.125 0.000 1.009 4 T CA -0.763 61.376 62.100 0.065 0.000 1.051 4 T CB 1.099 69.999 68.868 0.054 0.000 0.999 4 T HN 0.529 nan 8.240 nan 0.000 0.474 5 L N 2.395 123.703 121.223 0.141 0.000 2.333 5 L HA 0.512 4.852 4.340 -0.000 0.000 0.280 5 L C -0.305 176.666 176.870 0.168 0.000 1.004 5 L CA -0.739 54.214 54.840 0.189 0.000 0.820 5 L CB 2.267 44.446 42.059 0.200 0.000 1.247 5 L HN 0.876 nan 8.230 nan 0.000 0.416 6 T N 4.440 119.114 114.554 0.199 0.000 3.064 6 T HA 0.314 4.664 4.350 -0.000 0.000 0.367 6 T C 1.179 175.970 174.700 0.151 0.000 1.202 6 T CA -0.431 61.776 62.100 0.179 0.000 1.133 6 T CB 0.706 69.690 68.868 0.193 0.000 1.074 6 T HN 0.416 nan 8.240 nan 0.000 0.519 7 L N 1.251 122.565 121.223 0.151 0.000 2.313 7 L HA 0.175 4.515 4.340 -0.000 0.000 0.214 7 L C 1.296 178.278 176.870 0.186 0.000 1.119 7 L CA 0.678 55.616 54.840 0.164 0.000 0.809 7 L CB -0.023 42.154 42.059 0.197 0.000 0.933 7 L HN 0.394 nan 8.230 nan 0.000 0.449 8 N N 0.267 119.037 118.700 0.117 0.000 2.757 8 N HA 0.212 4.952 4.740 -0.000 0.000 0.296 8 N C -2.447 173.088 175.510 0.043 0.000 1.874 8 N CA -1.736 51.352 53.050 0.063 0.000 0.885 8 N CB 0.640 39.155 38.487 0.047 0.000 1.242 8 N HN -0.018 nan 8.380 nan 0.000 0.488 9 P HA 0.327 nan 4.420 nan 0.000 0.277 9 P C -0.711 176.580 177.300 -0.015 0.000 1.271 9 P CA -0.184 62.917 63.100 0.001 0.000 0.795 9 P CB 0.965 32.631 31.700 -0.056 0.000 1.101 10 S N -1.999 113.693 115.700 -0.013 0.000 2.570 10 S HA 0.416 4.886 4.470 -0.000 0.000 0.270 10 S C -0.886 173.703 174.600 -0.018 0.000 1.149 10 S CA -0.831 57.354 58.200 -0.024 0.000 0.837 10 S CB 0.850 64.038 63.200 -0.020 0.000 1.124 10 S HN 0.135 nan 8.310 nan 0.000 0.465 11 V N 2.431 122.310 119.914 -0.058 0.000 2.334 11 V HA 0.342 4.462 4.120 -0.000 0.000 0.267 11 V C -0.774 175.253 176.094 -0.112 0.000 1.040 11 V CA -0.367 61.874 62.300 -0.099 0.000 0.866 11 V CB 0.386 32.035 31.823 -0.289 0.000 1.019 11 V HN 0.818 nan 8.190 nan 0.000 0.468 12 D N 5.120 125.485 120.400 -0.059 0.000 2.249 12 D HA 0.486 5.126 4.640 -0.000 0.000 0.246 12 D C -0.134 176.095 176.300 -0.118 0.000 1.114 12 D CA 0.087 54.047 54.000 -0.067 0.000 0.854 12 D CB 1.739 42.524 40.800 -0.026 0.000 1.132 12 D HN 0.356 nan 8.370 nan 0.000 0.461 13 I N 1.112 121.578 120.570 -0.174 0.000 2.378 13 I HA 0.204 4.374 4.170 -0.000 0.000 0.291 13 I C 0.273 176.167 176.117 -0.372 0.000 0.992 13 I CA -0.612 60.498 61.300 -0.316 0.000 1.154 13 I CB 1.745 39.494 38.000 -0.417 0.000 1.315 13 I HN 0.093 nan 8.210 nan 0.000 0.448 14 S N 5.921 121.391 115.700 -0.383 0.000 2.456 14 S HA 0.543 5.013 4.470 -0.000 0.000 0.316 14 S C -1.152 173.256 174.600 -0.320 0.000 1.089 14 S CA -0.354 57.689 58.200 -0.262 0.000 1.101 14 S CB 0.360 63.493 63.200 -0.112 0.000 0.995 14 S HN 0.396 nan 8.310 nan 0.000 0.468 15 Y N 5.524 125.831 120.300 0.013 0.000 2.464 15 Y HA 0.367 4.917 4.550 -0.000 0.000 0.326 15 Y C -2.173 173.743 175.900 0.027 0.000 0.969 15 Y CA -2.291 55.816 58.100 0.012 0.000 1.270 15 Y CB 1.535 39.995 38.460 0.001 0.000 1.103 15 Y HN 0.511 nan 8.280 nan 0.000 0.491 16 P HA 0.265 nan 4.420 nan 0.000 0.287 16 P C -0.864 176.502 177.300 0.110 0.000 1.294 16 P CA -0.007 63.164 63.100 0.117 0.000 0.776 16 P CB 1.359 33.102 31.700 0.073 0.000 0.889 17 L N 2.334 123.622 121.223 0.108 0.000 2.354 17 L HA 0.420 4.760 4.340 -0.000 0.000 0.269 17 L C 1.648 178.565 176.870 0.078 0.000 1.005 17 L CA -0.666 54.219 54.840 0.075 0.000 0.819 17 L CB 1.750 43.839 42.059 0.049 0.000 1.311 17 L HN 0.210 nan 8.230 nan 0.000 0.423 18 T N -0.261 114.324 114.554 0.051 0.000 2.737 18 T HA 0.031 4.381 4.350 -0.000 0.000 0.265 18 T C 0.575 175.312 174.700 0.061 0.000 1.038 18 T CA 1.128 63.256 62.100 0.047 0.000 1.144 18 T CB -0.028 68.857 68.868 0.029 0.000 0.866 18 T HN 0.623 nan 8.240 nan 0.000 0.434 19 A N 0.712 123.562 122.820 0.051 0.000 2.422 19 A HA 0.692 5.012 4.320 -0.000 0.000 0.302 19 A C -1.278 176.314 177.584 0.012 0.000 1.041 19 A CA -0.881 51.188 52.037 0.054 0.000 0.708 19 A CB 1.289 20.305 19.000 0.028 0.000 1.257 19 A HN 0.289 nan 8.150 nan 0.000 0.414 20 L N 2.125 123.335 121.223 -0.022 0.000 2.268 20 L HA 0.399 4.739 4.340 -0.000 0.000 0.289 20 L C -0.156 176.650 176.870 -0.107 0.000 1.064 20 L CA 0.186 54.923 54.840 -0.171 0.000 0.824 20 L CB 0.131 41.863 42.059 -0.544 0.000 1.202 20 L HN 0.558 nan 8.230 nan 0.000 0.433 21 K N 6.713 127.063 120.400 -0.084 0.000 2.267 21 K HA 0.361 4.681 4.320 -0.000 0.000 0.282 21 K C -0.773 175.788 176.600 -0.066 0.000 1.078 21 K CA -0.435 55.818 56.287 -0.057 0.000 0.903 21 K CB 0.795 33.268 32.500 -0.044 0.000 1.111 21 K HN 0.604 nan 8.250 nan 0.000 0.475 22 L N 2.598 123.789 121.223 -0.055 0.000 2.397 22 L HA 0.036 4.376 4.340 -0.000 0.000 0.271 22 L C 0.661 177.505 176.870 -0.042 0.000 1.148 22 L CA 0.051 54.860 54.840 -0.053 0.000 0.825 22 L CB 0.219 42.254 42.059 -0.040 0.000 1.117 22 L HN 0.773 nan 8.230 nan 0.000 0.456 23 D N 0.752 121.126 120.400 -0.043 0.000 2.870 23 D HA -0.200 4.440 4.640 -0.000 0.000 0.228 23 D C -0.573 175.705 176.300 -0.037 0.000 1.147 23 D CA 1.051 55.030 54.000 -0.036 0.000 0.757 23 D CB -0.428 40.356 40.800 -0.027 0.000 1.091 23 D HN 0.732 nan 8.370 nan 0.000 0.429 24 D N -2.010 118.363 120.400 -0.045 0.000 2.626 24 D HA 0.471 5.111 4.640 -0.000 0.000 0.278 24 D C -0.959 175.308 176.300 -0.055 0.000 1.211 24 D CA -0.506 53.468 54.000 -0.044 0.000 0.903 24 D CB 1.704 42.481 40.800 -0.039 0.000 1.408 24 D HN -0.122 nan 8.370 nan 0.000 0.454 25 V N 2.364 122.246 119.914 -0.052 0.000 2.465 25 V HA 0.408 4.528 4.120 -0.000 0.000 0.279 25 V C -0.107 175.946 176.094 -0.069 0.000 1.045 25 V CA -0.526 61.736 62.300 -0.062 0.000 0.938 25 V CB 1.084 32.877 31.823 -0.050 0.000 0.986 25 V HN 0.380 nan 8.190 nan 0.000 0.467 26 N N 5.368 124.012 118.700 -0.094 0.000 2.443 26 N HA 0.417 5.156 4.740 -0.000 0.000 0.269 26 N C -0.660 174.786 175.510 -0.107 0.000 0.985 26 N CA -0.617 52.374 53.050 -0.099 0.000 0.921 26 N CB 2.058 40.468 38.487 -0.129 0.000 1.195 26 N HN 0.535 nan 8.380 nan 0.000 0.492 27 R N 0.983 121.441 120.500 -0.070 0.000 2.297 27 R HA 0.430 4.770 4.340 -0.000 0.000 0.308 27 R C 0.013 176.290 176.300 -0.039 0.000 1.029 27 R CA -0.687 55.380 56.100 -0.055 0.000 0.929 27 R CB 1.283 31.564 30.300 -0.032 0.000 1.046 27 R HN 0.317 nan 8.270 nan 0.000 0.461 28 V N 0.596 120.492 119.914 -0.029 0.000 2.769 28 V HA 0.379 4.499 4.120 -0.000 0.000 0.312 28 V C -0.152 175.969 176.094 0.045 0.000 1.061 28 V CA -0.787 61.529 62.300 0.025 0.000 0.931 28 V CB 2.097 33.972 31.823 0.087 0.000 1.010 28 V HN 0.701 nan 8.190 nan 0.000 0.433 29 Q N 0.369 120.200 119.800 0.052 0.000 2.422 29 Q HA 0.299 4.639 4.340 -0.000 0.000 0.255 29 Q C 0.028 176.061 176.000 0.055 0.000 0.864 29 Q CA 0.328 56.158 55.803 0.046 0.000 0.968 29 Q CB 0.661 29.418 28.738 0.030 0.000 1.130 29 Q HN 0.826 nan 8.270 nan 0.000 0.556 30 E N 1.192 121.428 120.200 0.061 0.000 2.136 30 E HA 0.224 4.574 4.350 -0.000 0.000 0.246 30 E C -1.145 175.491 176.600 0.060 0.000 1.017 30 E CA -0.213 56.217 56.400 0.051 0.000 0.883 30 E CB 1.098 30.821 29.700 0.039 0.000 1.199 30 E HN -0.048 nan 8.360 nan 0.000 0.447 31 V N 1.651 121.598 119.914 0.054 0.000 2.483 31 V HA 0.400 4.520 4.120 -0.000 0.000 0.295 31 V C -0.325 175.753 176.094 -0.025 0.000 1.035 31 V CA -0.455 61.852 62.300 0.012 0.000 0.896 31 V CB 1.942 33.788 31.823 0.038 0.000 0.986 31 V HN 0.470 nan 8.190 nan 0.000 0.447 32 S N 6.378 122.035 115.700 -0.071 0.000 2.456 32 S HA 0.612 5.082 4.470 -0.000 0.000 0.316 32 S C -0.715 173.843 174.600 -0.069 0.000 1.089 32 S CA -0.710 57.463 58.200 -0.044 0.000 1.101 32 S CB 0.505 63.683 63.200 -0.036 0.000 0.995 32 S HN 0.785 nan 8.310 nan 0.000 0.468 33 K N 3.185 123.589 120.400 0.006 0.000 2.413 33 K HA 0.501 4.821 4.320 -0.000 0.000 0.257 33 K C -0.641 176.082 176.600 0.205 0.000 0.946 33 K CA -0.724 55.579 56.287 0.027 0.000 0.823 33 K CB 1.885 34.360 32.500 -0.042 0.000 1.109 33 K HN 0.722 nan 8.250 nan 0.000 0.427 34 T N -1.805 112.846 114.554 0.161 0.000 2.916 34 T HA 0.600 4.950 4.350 -0.000 0.000 0.292 34 T C -0.283 174.560 174.700 0.238 0.000 1.055 34 T CA -1.090 61.122 62.100 0.186 0.000 1.009 34 T CB 1.779 70.692 68.868 0.075 0.000 1.118 34 T HN 0.474 nan 8.240 nan 0.000 0.497 35 A N 1.322 124.247 122.820 0.175 0.000 2.457 35 A HA 0.644 4.964 4.320 -0.000 0.000 0.298 35 A C 0.803 178.433 177.584 0.078 0.000 1.288 35 A CA -0.181 51.932 52.037 0.126 0.000 0.956 35 A CB -0.939 18.084 19.000 0.038 0.000 1.135 35 A HN 1.220 nan 8.150 nan 0.000 0.535 36 G N 0.667 109.505 108.800 0.062 0.000 2.461 36 G HA2 0.765 4.725 3.960 -0.000 0.000 0.329 36 G HA3 0.765 4.725 3.960 -0.000 0.000 0.329 36 G C 0.121 175.047 174.900 0.043 0.000 1.170 36 G CA -0.315 44.812 45.100 0.045 0.000 0.935 36 G HN 1.919 nan 8.290 nan 0.000 0.492 37 G N -0.023 108.805 108.800 0.048 0.000 2.435 37 G HA2 0.107 4.067 3.960 -0.000 0.000 0.603 37 G HA3 0.107 4.067 3.960 -0.000 0.000 0.603 37 G C 0.388 175.327 174.900 0.066 0.000 1.496 37 G CA -0.312 44.822 45.100 0.057 0.000 0.896 37 G HN 0.530 nan 8.290 nan 0.000 0.657 38 K N 1.020 121.459 120.400 0.066 0.000 2.063 38 K HA -0.096 4.224 4.320 -0.000 0.000 0.208 38 K C 2.687 179.327 176.600 0.067 0.000 1.048 38 K CA 1.925 58.250 56.287 0.063 0.000 0.928 38 K CB -0.663 31.874 32.500 0.062 0.000 0.713 38 K HN 0.850 nan 8.250 nan 0.000 0.442 39 G N 1.181 110.030 108.800 0.082 0.000 2.448 39 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.219 39 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.219 39 G C 1.617 176.574 174.900 0.094 0.000 1.127 39 G CA 0.320 45.473 45.100 0.087 0.000 0.766 39 G HN 0.166 nan 8.290 nan 0.000 0.552 40 L N 0.151 121.435 121.223 0.102 0.000 2.179 40 L HA 0.029 4.369 4.340 -0.000 0.000 0.208 40 L C 2.559 179.477 176.870 0.080 0.000 1.096 40 L CA 0.262 55.165 54.840 0.105 0.000 0.779 40 L CB -0.345 41.781 42.059 0.111 0.000 0.922 40 L HN 0.085 nan 8.230 nan 0.000 0.443 41 N N 0.245 118.987 118.700 0.070 0.000 2.069 41 N HA -0.160 4.580 4.740 -0.000 0.000 0.191 41 N C 1.923 177.464 175.510 0.052 0.000 1.031 41 N CA 1.305 54.392 53.050 0.062 0.000 0.852 41 N CB -0.618 37.903 38.487 0.057 0.000 1.018 41 N HN 0.062 nan 8.380 nan 0.000 0.423 42 V N 1.174 121.115 119.914 0.045 0.000 2.332 42 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 42 V C 2.210 178.319 176.094 0.026 0.000 1.055 42 V CA 2.018 64.335 62.300 0.028 0.000 1.038 42 V CB -1.125 30.712 31.823 0.023 0.000 0.651 42 V HN 0.378 nan 8.190 nan 0.000 0.450 43 T N -0.384 114.195 114.554 0.041 0.000 2.708 43 T HA -0.207 4.143 4.350 -0.000 0.000 0.266 43 T C 2.069 176.789 174.700 0.034 0.000 1.037 43 T CA 1.626 63.749 62.100 0.038 0.000 1.146 43 T CB -0.269 68.637 68.868 0.063 0.000 0.865 43 T HN 0.419 nan 8.240 nan 0.000 0.435 44 R N 0.319 120.848 120.500 0.048 0.000 2.081 44 R HA -0.054 4.286 4.340 -0.000 0.000 0.235 44 R C 2.553 178.870 176.300 0.027 0.000 1.131 44 R CA 1.120 57.251 56.100 0.051 0.000 0.960 44 R CB -0.763 29.584 30.300 0.078 0.000 0.856 44 R HN 0.247 nan 8.270 nan 0.000 0.436 45 V N 1.552 121.478 119.914 0.019 0.000 2.295 45 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 45 V C 2.361 178.440 176.094 -0.026 0.000 1.049 45 V CA 1.615 63.909 62.300 -0.010 0.000 1.024 45 V CB -0.462 31.361 31.823 -0.000 0.000 0.648 45 V HN 0.276 nan 8.190 nan 0.000 0.447 46 L N 0.197 121.408 121.223 -0.019 0.000 2.012 46 L HA -0.226 4.113 4.340 -0.000 0.000 0.210 46 L C 2.792 179.641 176.870 -0.035 0.000 1.073 46 L CA 1.807 56.627 54.840 -0.033 0.000 0.748 46 L CB -0.888 41.151 42.059 -0.033 0.000 0.891 46 L HN 0.373 nan 8.230 nan 0.000 0.431 47 A N -0.740 122.068 122.820 -0.019 0.000 1.917 47 A HA -0.298 4.022 4.320 -0.000 0.000 0.219 47 A C 2.224 179.790 177.584 -0.029 0.000 1.182 47 A CA 1.893 53.921 52.037 -0.015 0.000 0.633 47 A CB -0.598 18.406 19.000 0.007 0.000 0.819 47 A HN 0.504 nan 8.150 nan 0.000 0.448 48 Q N -0.858 118.919 119.800 -0.038 0.000 2.124 48 Q HA -0.108 4.232 4.340 -0.000 0.000 0.202 48 Q C 1.930 177.878 176.000 -0.087 0.000 0.977 48 Q CA 1.594 57.356 55.803 -0.069 0.000 0.850 48 Q CB -0.203 28.467 28.738 -0.114 0.000 0.901 48 Q HN 0.499 nan 8.270 nan 0.000 0.429 49 V N -0.673 119.189 119.914 -0.087 0.000 3.380 49 V HA -0.019 4.101 4.120 -0.000 0.000 0.268 49 V C 1.252 177.286 176.094 -0.101 0.000 1.168 49 V CA 1.214 63.446 62.300 -0.113 0.000 1.156 49 V CB 0.001 31.759 31.823 -0.109 0.000 0.785 49 V HN 0.654 nan 8.190 nan 0.000 0.487 50 G N 0.280 109.037 108.800 -0.071 0.000 2.141 50 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.242 50 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.242 50 G C -0.051 174.823 174.900 -0.043 0.000 0.982 50 G CA -0.062 45.005 45.100 -0.055 0.000 0.662 50 G HN 0.466 nan 8.290 nan 0.000 0.527 51 E N 1.045 121.215 120.200 -0.050 0.000 2.354 51 E HA 0.351 4.701 4.350 -0.000 0.000 0.269 51 E C -2.263 174.308 176.600 -0.048 0.000 1.036 51 E CA -1.631 54.739 56.400 -0.050 0.000 0.876 51 E CB 0.832 30.488 29.700 -0.074 0.000 1.009 51 E HN 0.213 nan 8.360 nan 0.000 0.416 52 P HA 0.123 nan 4.420 nan 0.000 0.276 52 P C -0.689 176.565 177.300 -0.076 0.000 1.243 52 P CA -0.088 62.983 63.100 -0.048 0.000 0.768 52 P CB 0.769 32.452 31.700 -0.028 0.000 0.856 53 V N 5.197 125.076 119.914 -0.058 0.000 2.971 53 V HA 0.652 4.772 4.120 -0.000 0.000 0.309 53 V C -1.715 174.348 176.094 -0.053 0.000 1.130 53 V CA -0.980 61.286 62.300 -0.058 0.000 0.964 53 V CB 2.391 34.189 31.823 -0.041 0.000 1.029 53 V HN 0.344 nan 8.190 nan 0.000 0.427 54 L N 5.888 127.074 121.223 -0.062 0.000 2.406 54 L HA 0.954 5.294 4.340 -0.000 0.000 0.272 54 L C -0.135 176.692 176.870 -0.072 0.000 0.980 54 L CA 0.006 54.801 54.840 -0.075 0.000 0.831 54 L CB 1.638 43.638 42.059 -0.098 0.000 1.253 54 L HN 0.899 nan 8.230 nan 0.000 0.406 55 A N 3.509 126.269 122.820 -0.100 0.000 2.301 55 A HA 0.799 5.118 4.320 -0.000 0.000 0.298 55 A C -0.167 177.209 177.584 -0.348 0.000 1.185 55 A CA -0.104 51.854 52.037 -0.132 0.000 0.830 55 A CB 0.950 19.905 19.000 -0.075 0.000 1.112 55 A HN 0.765 nan 8.150 nan 0.000 0.508 56 S N 0.719 116.360 115.700 -0.098 0.000 2.811 56 S HA 0.956 5.426 4.470 -0.000 0.000 0.311 56 S C 0.039 174.865 174.600 0.377 0.000 1.152 56 S CA 0.389 58.617 58.200 0.048 0.000 0.864 56 S CB 1.601 64.960 63.200 0.265 0.000 1.226 56 S HN 2.536 nan 8.310 nan 0.000 0.541 57 G N 0.272 109.337 108.800 0.442 0.000 2.315 57 G HA2 0.161 4.121 3.960 -0.000 0.000 0.296 57 G HA3 0.161 4.121 3.960 -0.000 0.000 0.296 57 G C -1.831 173.046 174.900 -0.038 0.000 1.289 57 G CA -0.867 44.276 45.100 0.070 0.000 0.996 57 G HN 0.613 nan 8.290 nan 0.000 0.487 58 F N 0.919 120.899 119.950 0.050 0.000 2.421 58 F HA 0.755 5.282 4.527 -0.000 0.000 0.337 58 F C 1.076 176.821 175.800 -0.092 0.000 1.105 58 F CA -0.557 57.454 58.000 0.019 0.000 1.049 58 F CB 1.688 40.644 39.000 -0.074 0.000 1.139 58 F HN 0.596 nan 8.300 nan 0.000 0.479 59 I N -0.072 120.555 120.570 0.096 0.000 2.934 59 I HA 1.041 5.211 4.170 -0.000 0.000 0.306 59 I C -0.595 175.517 176.117 -0.007 0.000 1.110 59 I CA -0.943 60.306 61.300 -0.085 0.000 1.019 59 I CB 2.414 40.226 38.000 -0.313 0.000 1.227 59 I HN 0.621 nan 8.210 nan 0.000 0.434 60 G N 1.414 110.191 108.800 -0.039 0.000 2.719 60 G HA2 0.644 4.604 3.960 -0.000 0.000 0.298 60 G HA3 0.644 4.604 3.960 -0.000 0.000 0.298 60 G C -0.277 174.604 174.900 -0.032 0.000 1.411 60 G CA -0.276 44.808 45.100 -0.027 0.000 0.991 60 G HN 1.474 nan 8.290 nan 0.000 0.509 61 G N 1.376 110.162 108.800 -0.023 0.000 2.601 61 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.252 61 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.252 61 G C 0.788 175.681 174.900 -0.011 0.000 1.294 61 G CA 0.778 45.867 45.100 -0.019 0.000 0.912 61 G HN 0.865 nan 8.290 nan 0.000 0.574 62 E N -0.222 119.973 120.200 -0.008 0.000 2.106 62 E HA 0.076 4.426 4.350 -0.000 0.000 0.192 62 E C 2.746 179.358 176.600 0.019 0.000 0.984 62 E CA 1.309 57.714 56.400 0.008 0.000 0.806 62 E CB -0.150 29.552 29.700 0.003 0.000 0.750 62 E HN 0.462 nan 8.360 nan 0.000 0.458 63 L N -0.307 120.908 121.223 -0.014 0.000 2.141 63 L HA -0.038 4.302 4.340 -0.000 0.000 0.209 63 L C 2.343 179.221 176.870 0.012 0.000 1.094 63 L CA 1.056 55.883 54.840 -0.021 0.000 0.763 63 L CB -0.743 41.267 42.059 -0.082 0.000 0.908 63 L HN 0.275 nan 8.230 nan 0.000 0.437 64 G N -0.667 108.116 108.800 -0.029 0.000 2.440 64 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.218 64 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.218 64 G C 1.508 176.373 174.900 -0.058 0.000 1.154 64 G CA 0.266 45.320 45.100 -0.077 0.000 0.767 64 G HN 0.268 nan 8.290 nan 0.000 0.552 65 Q N -0.400 119.401 119.800 0.001 0.000 2.167 65 Q HA -0.033 4.307 4.340 -0.000 0.000 0.202 65 Q C 2.167 178.179 176.000 0.020 0.000 0.970 65 Q CA 0.637 56.449 55.803 0.015 0.000 0.855 65 Q CB -0.527 28.231 28.738 0.033 0.000 0.911 65 Q HN 0.586 nan 8.270 nan 0.000 0.438 66 F N 1.255 121.152 119.950 -0.088 0.000 2.126 66 F HA -0.226 4.301 4.527 -0.000 0.000 0.299 66 F C 2.014 177.737 175.800 -0.128 0.000 1.096 66 F CA 1.218 59.158 58.000 -0.100 0.000 1.255 66 F CB -0.151 38.799 39.000 -0.083 0.000 0.997 66 F HN -0.033 nan 8.300 nan 0.000 0.479 67 I N 0.104 120.690 120.570 0.027 0.000 2.179 67 I HA -0.319 3.851 4.170 -0.000 0.000 0.242 67 I C 2.733 178.723 176.117 -0.212 0.000 1.088 67 I CA 1.211 62.446 61.300 -0.108 0.000 1.357 67 I CB -1.044 36.861 38.000 -0.159 0.000 1.051 67 I HN 0.248 nan 8.210 nan 0.000 0.409 68 A N 0.818 123.508 122.820 -0.217 0.000 1.908 68 A HA -0.289 4.031 4.320 -0.000 0.000 0.218 68 A C 2.276 179.744 177.584 -0.193 0.000 1.181 68 A CA 2.190 54.052 52.037 -0.293 0.000 0.627 68 A CB -0.508 18.446 19.000 -0.076 0.000 0.818 68 A HN 0.265 nan 8.150 nan 0.000 0.445 69 K N -0.014 120.258 120.400 -0.215 0.000 2.057 69 K HA -0.126 4.194 4.320 -0.000 0.000 0.207 69 K C 1.901 178.175 176.600 -0.543 0.000 1.049 69 K CA 1.639 57.728 56.287 -0.329 0.000 0.931 69 K CB -0.122 32.155 32.500 -0.372 0.000 0.714 69 K HN 0.247 nan 8.250 nan 0.000 0.440 70 K N 0.579 120.656 120.400 -0.538 0.000 2.057 70 K HA -0.078 4.242 4.320 -0.000 0.000 0.207 70 K C 2.135 178.632 176.600 -0.172 0.000 1.049 70 K CA 1.428 57.454 56.287 -0.434 0.000 0.931 70 K CB -0.543 31.707 32.500 -0.417 0.000 0.714 70 K HN 0.241 nan 8.250 nan 0.000 0.440 71 L N 1.125 122.285 121.223 -0.106 0.000 2.046 71 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 71 L C 1.955 178.886 176.870 0.101 0.000 1.077 71 L CA 1.254 56.111 54.840 0.028 0.000 0.747 71 L CB -0.606 41.493 42.059 0.066 0.000 0.896 71 L HN 0.112 nan 8.230 nan 0.000 0.432 72 D N -0.586 119.881 120.400 0.111 0.000 2.133 72 D HA -0.207 4.433 4.640 -0.000 0.000 0.195 72 D C 2.058 178.480 176.300 0.204 0.000 0.997 72 D CA 1.450 55.553 54.000 0.172 0.000 0.840 72 D CB -0.388 40.519 40.800 0.178 0.000 0.947 72 D HN 0.487 nan 8.370 nan 0.000 0.452 73 H N -0.166 118.907 119.070 0.006 0.000 2.421 73 H HA 0.042 4.598 4.556 -0.000 0.000 0.298 73 H C 1.586 176.917 175.328 0.004 0.000 1.087 73 H CA 0.785 56.828 56.048 -0.007 0.000 1.330 73 H CB 0.229 29.969 29.762 -0.037 0.000 1.388 73 H HN 0.095 nan 8.280 nan 0.000 0.526 74 A N 0.423 123.327 122.820 0.140 0.000 2.251 74 A HA -0.028 4.292 4.320 -0.000 0.000 0.209 74 A C 0.174 177.801 177.584 0.072 0.000 1.187 74 A CA 0.272 52.362 52.037 0.089 0.000 0.823 74 A CB 0.236 19.281 19.000 0.076 0.000 0.846 74 A HN 0.399 nan 8.150 nan 0.000 0.486 75 D N -0.964 119.484 120.400 0.080 0.000 2.837 75 D HA -0.159 4.481 4.640 -0.000 0.000 0.230 75 D C -0.270 176.063 176.300 0.053 0.000 1.152 75 D CA 0.988 55.023 54.000 0.059 0.000 0.736 75 D CB -1.455 39.366 40.800 0.035 0.000 1.084 75 D HN 0.566 nan 8.370 nan 0.000 0.429 76 I N 0.468 121.085 120.570 0.080 0.000 2.331 76 I HA 0.025 4.195 4.170 -0.000 0.000 0.292 76 I C 0.891 177.069 176.117 0.103 0.000 0.998 76 I CA -0.476 60.870 61.300 0.076 0.000 1.267 76 I CB 1.208 39.259 38.000 0.085 0.000 1.386 76 I HN -0.335 nan 8.210 nan 0.000 0.476 77 K N 4.147 124.563 120.400 0.027 0.000 2.270 77 K HA 0.297 4.617 4.320 -0.000 0.000 0.276 77 K C -0.636 175.941 176.600 -0.039 0.000 1.023 77 K CA -0.384 55.873 56.287 -0.052 0.000 0.955 77 K CB 0.810 33.260 32.500 -0.083 0.000 0.975 77 K HN 0.808 nan 8.250 nan 0.000 0.471 78 H N -2.526 116.463 119.070 -0.135 0.000 2.961 78 H HA 0.717 5.273 4.556 -0.000 0.000 0.371 78 H C -0.908 174.264 175.328 -0.259 0.000 1.190 78 H CA -1.002 54.850 56.048 -0.327 0.000 1.138 78 H CB 2.005 31.475 29.762 -0.486 0.000 1.816 78 H HN 0.602 nan 8.280 nan 0.000 0.551 79 A N 2.621 125.294 122.820 -0.244 0.000 3.370 79 A HA 0.386 4.706 4.320 -0.000 0.000 0.295 79 A C -1.231 176.435 177.584 0.137 0.000 1.030 79 A CA -0.601 51.436 52.037 -0.000 0.000 0.883 79 A CB -0.705 18.322 19.000 0.046 0.000 1.191 79 A HN 0.489 nan 8.150 nan 0.000 0.507 80 F N -0.341 119.792 119.950 0.305 0.000 2.435 80 F HA 0.362 4.889 4.527 -0.000 0.000 0.316 80 F C 0.427 176.337 175.800 0.183 0.000 1.220 80 F CA 0.114 58.265 58.000 0.253 0.000 1.241 80 F CB 0.547 39.654 39.000 0.180 0.000 1.234 80 F HN 0.479 nan 8.300 nan 0.000 0.569 81 Y N 1.442 121.912 120.300 0.283 0.000 2.335 81 Y HA 0.338 4.888 4.550 -0.000 0.000 0.338 81 Y C -0.579 175.467 175.900 0.242 0.000 0.977 81 Y CA -1.096 57.091 58.100 0.146 0.000 1.114 81 Y CB 0.610 39.222 38.460 0.253 0.000 1.182 81 Y HN 0.494 nan 8.280 nan 0.000 0.463 82 N N 5.531 124.113 118.700 -0.197 0.000 2.529 82 N HA 0.418 5.157 4.740 -0.000 0.000 0.278 82 N C -0.835 174.651 175.510 -0.040 0.000 1.146 82 N CA -0.214 52.793 53.050 -0.072 0.000 0.980 82 N CB 0.782 39.208 38.487 -0.101 0.000 1.124 82 N HN 0.635 nan 8.380 nan 0.000 0.458 83 I N -1.713 118.885 120.570 0.048 0.000 2.910 83 I HA 0.466 4.636 4.170 -0.000 0.000 0.310 83 I C 0.588 176.697 176.117 -0.014 0.000 1.043 83 I CA -0.929 60.390 61.300 0.032 0.000 1.053 83 I CB 1.990 39.986 38.000 -0.006 0.000 1.242 83 I HN 0.304 nan 8.210 nan 0.000 0.452 84 K N 2.003 122.391 120.400 -0.021 0.000 2.148 84 K HA 0.092 4.412 4.320 -0.000 0.000 0.204 84 K C 1.106 177.685 176.600 -0.036 0.000 1.050 84 K CA 1.098 57.370 56.287 -0.026 0.000 0.942 84 K CB -0.324 32.161 32.500 -0.023 0.000 0.724 84 K HN 0.859 nan 8.250 nan 0.000 0.446 85 G N 0.876 109.646 108.800 -0.051 0.000 2.616 85 G HA2 0.140 4.100 3.960 -0.000 0.000 0.268 85 G HA3 0.140 4.100 3.960 -0.000 0.000 0.268 85 G C -0.862 174.007 174.900 -0.051 0.000 1.213 85 G CA -0.469 44.596 45.100 -0.058 0.000 0.926 85 G HN 0.033 nan 8.290 nan 0.000 0.523 86 E N -0.189 119.980 120.200 -0.052 0.000 2.175 86 E HA 0.402 4.752 4.350 -0.000 0.000 0.278 86 E C 0.222 176.788 176.600 -0.056 0.000 0.969 86 E CA -0.317 56.054 56.400 -0.049 0.000 0.796 86 E CB 1.308 30.980 29.700 -0.045 0.000 1.104 86 E HN 0.305 nan 8.360 nan 0.000 0.395 87 T N 3.260 117.780 114.554 -0.057 0.000 2.946 87 T HA 0.009 4.359 4.350 -0.000 0.000 0.312 87 T C 0.484 175.146 174.700 -0.064 0.000 1.066 87 T CA 0.076 62.138 62.100 -0.063 0.000 1.138 87 T CB 0.085 68.909 68.868 -0.072 0.000 1.014 87 T HN 0.419 nan 8.240 nan 0.000 0.544 88 R N 2.838 123.302 120.500 -0.060 0.000 2.637 88 R HA 0.309 4.649 4.340 -0.000 0.000 0.269 88 R C -0.461 175.798 176.300 -0.069 0.000 1.089 88 R CA -0.603 55.462 56.100 -0.058 0.000 1.177 88 R CB 0.466 30.737 30.300 -0.048 0.000 1.091 88 R HN 0.540 nan 8.270 nan 0.000 0.540 89 N N -0.713 117.947 118.700 -0.068 0.000 2.466 89 N HA 0.368 5.108 4.740 -0.000 0.000 0.294 89 N C -1.301 174.179 175.510 -0.052 0.000 1.129 89 N CA -0.492 52.512 53.050 -0.077 0.000 0.931 89 N CB 1.704 40.143 38.487 -0.079 0.000 1.193 89 N HN 0.468 nan 8.380 nan 0.000 0.500 90 C N 1.417 120.686 119.300 -0.052 0.000 2.712 90 C HA 0.579 5.039 4.460 -0.000 0.000 0.308 90 C C -0.904 174.065 174.990 -0.036 0.000 1.201 90 C CA -0.819 58.181 59.018 -0.031 0.000 1.554 90 C CB 0.727 28.456 27.740 -0.019 0.000 2.117 90 C HN 0.531 nan 8.230 nan 0.000 0.480 91 I N 2.362 122.927 120.570 -0.007 0.000 2.474 91 I HA 0.659 4.829 4.170 -0.000 0.000 0.294 91 I C 0.194 176.328 176.117 0.029 0.000 1.005 91 I CA -0.367 60.940 61.300 0.012 0.000 1.113 91 I CB 1.180 39.231 38.000 0.085 0.000 1.289 91 I HN 0.815 nan 8.210 nan 0.000 0.436 92 A N 7.487 130.319 122.820 0.020 0.000 2.343 92 A HA 0.837 5.157 4.320 -0.000 0.000 0.308 92 A C -0.731 176.918 177.584 0.110 0.000 1.092 92 A CA -0.450 51.618 52.037 0.052 0.000 0.751 92 A CB 0.941 19.954 19.000 0.022 0.000 1.203 92 A HN 0.608 nan 8.150 nan 0.000 0.452 93 I N 3.229 123.893 120.570 0.158 0.000 2.355 93 I HA 0.296 4.465 4.170 -0.000 0.000 0.288 93 I C -0.695 175.583 176.117 0.268 0.000 0.999 93 I CA -0.231 61.198 61.300 0.215 0.000 1.163 93 I CB 1.505 39.591 38.000 0.144 0.000 1.316 93 I HN 0.482 nan 8.210 nan 0.000 0.454 94 L N 7.672 129.025 121.223 0.217 0.000 2.264 94 L HA 0.481 4.821 4.340 -0.000 0.000 0.287 94 L C -0.735 176.253 176.870 0.196 0.000 1.039 94 L CA -0.600 54.335 54.840 0.158 0.000 0.829 94 L CB 0.019 42.128 42.059 0.083 0.000 1.211 94 L HN 0.721 nan 8.230 nan 0.000 0.427 95 H N 0.013 119.100 119.070 0.028 0.000 2.856 95 H HA 0.301 4.857 4.556 -0.000 0.000 0.355 95 H C -0.403 174.934 175.328 0.015 0.000 1.079 95 H CA -1.000 55.060 56.048 0.021 0.000 1.240 95 H CB 1.299 31.071 29.762 0.018 0.000 1.701 95 H HN 0.589 nan 8.280 nan 0.000 0.527 96 E N 2.262 122.460 120.200 -0.003 0.000 2.269 96 E HA -0.277 4.073 4.350 -0.000 0.000 0.223 96 E C 0.941 177.477 176.600 -0.106 0.000 1.244 96 E CA 1.034 57.412 56.400 -0.035 0.000 0.713 96 E CB -1.392 28.317 29.700 0.016 0.000 1.178 96 E HN 1.439 nan 8.360 nan 0.000 0.370 97 G N -0.223 108.518 108.800 -0.098 0.000 2.168 97 G HA2 -0.365 3.594 3.960 -0.000 0.000 0.263 97 G HA3 -0.365 3.594 3.960 -0.000 0.000 0.263 97 G C 0.113 174.930 174.900 -0.139 0.000 0.977 97 G CA 0.863 45.908 45.100 -0.092 0.000 0.659 97 G HN 0.468 nan 8.290 nan 0.000 0.533 98 Q N -0.925 118.712 119.800 -0.272 0.000 2.297 98 Q HA 0.697 5.037 4.340 -0.000 0.000 0.269 98 Q C -0.202 175.656 176.000 -0.236 0.000 1.051 98 Q CA -0.699 54.919 55.803 -0.307 0.000 0.869 98 Q CB 1.560 29.987 28.738 -0.518 0.000 1.346 98 Q HN 0.300 nan 8.270 nan 0.000 0.457 99 Q N 0.882 120.623 119.800 -0.097 0.000 2.337 99 Q HA 0.328 4.668 4.340 -0.000 0.000 0.264 99 Q C -1.589 174.454 176.000 0.072 0.000 1.007 99 Q CA -0.228 55.582 55.803 0.012 0.000 0.727 99 Q CB 1.586 30.331 28.738 0.012 0.000 1.256 99 Q HN 0.561 nan 8.270 nan 0.000 0.467 100 T N 3.734 118.388 114.554 0.167 0.000 2.758 100 T HA 0.394 4.744 4.350 -0.000 0.000 0.285 100 T C -0.859 173.905 174.700 0.105 0.000 0.981 100 T CA -0.433 61.764 62.100 0.161 0.000 0.965 100 T CB 1.063 70.084 68.868 0.255 0.000 0.927 100 T HN 0.524 nan 8.240 nan 0.000 0.448 101 E N 2.414 122.656 120.200 0.070 0.000 2.238 101 E HA 0.559 4.909 4.350 -0.000 0.000 0.267 101 E C -0.727 175.896 176.600 0.039 0.000 0.887 101 E CA -0.770 55.661 56.400 0.052 0.000 0.769 101 E CB 2.291 32.014 29.700 0.039 0.000 1.187 101 E HN 0.493 nan 8.360 nan 0.000 0.416 102 I N 3.520 124.110 120.570 0.033 0.000 2.410 102 I HA 0.292 4.461 4.170 -0.000 0.000 0.286 102 I C -0.851 175.273 176.117 0.012 0.000 1.009 102 I CA -0.591 60.722 61.300 0.021 0.000 1.111 102 I CB 0.912 38.925 38.000 0.022 0.000 1.262 102 I HN 0.283 nan 8.210 nan 0.000 0.443 103 L N 6.451 127.678 121.223 0.007 0.000 2.298 103 L HA 0.466 4.806 4.340 -0.000 0.000 0.284 103 L C -0.033 176.833 176.870 -0.007 0.000 1.013 103 L CA -0.627 54.214 54.840 0.000 0.000 0.824 103 L CB 1.392 43.454 42.059 0.005 0.000 1.221 103 L HN 0.568 nan 8.230 nan 0.000 0.418 104 E N 1.827 122.018 120.200 -0.014 0.000 2.354 104 E HA 0.011 4.361 4.350 -0.000 0.000 0.269 104 E C 0.406 176.992 176.600 -0.024 0.000 1.036 104 E CA -0.168 56.220 56.400 -0.021 0.000 0.876 104 E CB 1.747 31.430 29.700 -0.028 0.000 1.009 104 E HN 0.524 nan 8.360 nan 0.000 0.416 105 Q N 2.559 122.342 119.800 -0.028 0.000 2.119 105 Q HA -0.096 4.244 4.340 -0.000 0.000 0.201 105 Q C 0.654 176.628 176.000 -0.044 0.000 0.972 105 Q CA 1.355 57.137 55.803 -0.034 0.000 0.847 105 Q CB 0.043 28.759 28.738 -0.036 0.000 0.903 105 Q HN 0.801 nan 8.270 nan 0.000 0.433 106 G N 0.362 109.133 108.800 -0.048 0.000 2.660 106 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.247 106 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.247 106 G C -2.611 172.246 174.900 -0.072 0.000 1.328 106 G CA -0.407 44.658 45.100 -0.057 0.000 0.884 106 G HN 0.346 nan 8.290 nan 0.000 0.531 107 P HA 0.392 nan 4.420 nan 0.000 0.274 107 P C -0.492 176.729 177.300 -0.133 0.000 1.231 107 P CA -0.116 62.923 63.100 -0.102 0.000 0.790 107 P CB 1.222 32.858 31.700 -0.107 0.000 0.951 108 E N 1.488 121.611 120.200 -0.130 0.000 2.229 108 E HA 0.263 4.613 4.350 -0.000 0.000 0.283 108 E C -0.355 176.123 176.600 -0.203 0.000 1.030 108 E CA -0.652 55.655 56.400 -0.154 0.000 0.836 108 E CB 0.311 29.943 29.700 -0.113 0.000 1.068 108 E HN 0.229 nan 8.360 nan 0.000 0.401 109 I N 5.022 125.418 120.570 -0.290 0.000 2.325 109 I HA 0.110 4.280 4.170 -0.000 0.000 0.291 109 I C 0.268 176.235 176.117 -0.250 0.000 1.019 109 I CA -0.618 60.454 61.300 -0.381 0.000 1.302 109 I CB 0.142 37.729 38.000 -0.689 0.000 1.401 109 I HN 0.631 nan 8.210 nan 0.000 0.485 110 D N 4.466 124.769 120.400 -0.163 0.000 2.411 110 D HA 0.023 4.663 4.640 -0.000 0.000 0.251 110 D C 0.816 177.079 176.300 -0.062 0.000 1.201 110 D CA -0.443 53.501 54.000 -0.092 0.000 0.996 110 D CB 0.562 41.332 40.800 -0.050 0.000 1.101 110 D HN 0.414 nan 8.370 nan 0.000 0.504 111 N N -0.802 117.882 118.700 -0.025 0.000 2.069 111 N HA -0.271 4.469 4.740 -0.000 0.000 0.191 111 N C 1.578 177.116 175.510 0.046 0.000 1.031 111 N CA 1.707 54.762 53.050 0.008 0.000 0.852 111 N CB -0.097 38.398 38.487 0.014 0.000 1.018 111 N HN 0.546 nan 8.380 nan 0.000 0.423 112 Q N 0.130 119.963 119.800 0.054 0.000 2.061 112 Q HA -0.210 4.130 4.340 -0.000 0.000 0.204 112 Q C 1.636 177.725 176.000 0.148 0.000 0.984 112 Q CA 1.767 57.626 55.803 0.093 0.000 0.846 112 Q CB -0.102 28.688 28.738 0.087 0.000 0.902 112 Q HN 0.568 nan 8.270 nan 0.000 0.421 113 E N 0.017 120.309 120.200 0.152 0.000 2.072 113 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 113 E C 1.944 178.685 176.600 0.235 0.000 0.985 113 E CA 0.892 57.456 56.400 0.274 0.000 0.801 113 E CB -0.172 29.639 29.700 0.184 0.000 0.750 113 E HN 0.432 nan 8.360 nan 0.000 0.452 114 A N 1.636 124.529 122.820 0.122 0.000 1.892 114 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 114 A C 2.413 180.215 177.584 0.363 0.000 1.188 114 A CA 2.043 54.211 52.037 0.218 0.000 0.631 114 A CB -0.835 18.192 19.000 0.045 0.000 0.822 114 A HN 0.308 nan 8.150 nan 0.000 0.447 115 A N -0.788 122.159 122.820 0.213 0.000 1.930 115 A HA 0.191 4.511 4.320 -0.000 0.000 0.217 115 A C 2.420 180.071 177.584 0.112 0.000 1.175 115 A CA 1.817 53.950 52.037 0.160 0.000 0.627 115 A CB -1.349 17.718 19.000 0.113 0.000 0.815 115 A HN 0.751 nan 8.150 nan 0.000 0.443 116 G N -1.115 107.742 108.800 0.096 0.000 2.418 116 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.217 116 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.217 116 G C 1.464 176.186 174.900 -0.296 0.000 1.158 116 G CA 1.156 46.262 45.100 0.010 0.000 0.771 116 G HN 0.475 nan 8.290 nan 0.000 0.545 117 F N 1.458 121.075 119.950 -0.554 0.000 2.126 117 F HA -0.076 4.451 4.527 -0.000 0.000 0.299 117 F C 2.478 178.251 175.800 -0.046 0.000 1.096 117 F CA 1.002 58.720 58.000 -0.469 0.000 1.255 117 F CB -0.042 38.855 39.000 -0.171 0.000 0.997 117 F HN 0.009 nan 8.300 nan 0.000 0.479 118 I N 0.529 121.110 120.570 0.017 0.000 2.194 118 I HA -0.309 3.861 4.170 -0.000 0.000 0.246 118 I C 2.261 178.331 176.117 -0.078 0.000 1.093 118 I CA 1.436 62.695 61.300 -0.069 0.000 1.355 118 I CB -1.134 36.856 38.000 -0.017 0.000 1.046 118 I HN 0.188 nan 8.210 nan 0.000 0.413 119 K N -0.161 120.210 120.400 -0.048 0.000 2.025 119 K HA -0.219 4.101 4.320 -0.000 0.000 0.207 119 K C 2.104 178.682 176.600 -0.037 0.000 1.049 119 K CA 1.462 57.737 56.287 -0.020 0.000 0.933 119 K CB -0.934 31.581 32.500 0.025 0.000 0.714 119 K HN 0.430 nan 8.250 nan 0.000 0.438 120 H N 0.047 119.014 119.070 -0.173 0.000 2.352 120 H HA -0.128 4.428 4.556 -0.000 0.000 0.299 120 H C 1.978 177.148 175.328 -0.263 0.000 1.097 120 H CA 1.905 57.850 56.048 -0.172 0.000 1.311 120 H CB -0.328 29.353 29.762 -0.134 0.000 1.377 120 H HN 0.143 nan 8.280 nan 0.000 0.504 121 F N 1.460 121.065 119.950 -0.574 0.000 2.095 121 F HA -0.160 4.367 4.527 -0.000 0.000 0.298 121 F C 2.312 177.911 175.800 -0.336 0.000 1.104 121 F CA 2.031 59.701 58.000 -0.550 0.000 1.232 121 F CB -0.279 38.362 39.000 -0.599 0.000 0.987 121 F HN 0.282 nan 8.300 nan 0.000 0.475 122 E N -0.108 120.018 120.200 -0.123 0.000 2.097 122 E HA -0.244 4.106 4.350 -0.000 0.000 0.196 122 E C 1.166 177.628 176.600 -0.230 0.000 1.000 122 E CA 1.172 57.485 56.400 -0.145 0.000 0.804 122 E CB -0.251 29.411 29.700 -0.064 0.000 0.740 122 E HN 0.575 nan 8.360 nan 0.000 0.454 127 K N 1.366 121.684 120.400 -0.136 0.000 2.400 127 K HA 0.181 4.501 4.320 -0.000 0.000 0.194 127 K C 0.643 177.172 176.600 -0.118 0.000 1.033 127 K CA 0.900 57.114 56.287 -0.122 0.000 1.021 127 K CB 1.401 33.816 32.500 -0.142 0.000 0.808 127 K HN 0.191 nan 8.250 nan 0.000 0.505 128 V N -2.536 117.298 119.914 -0.134 0.000 3.102 128 V HA 0.369 4.489 4.120 -0.000 0.000 0.312 128 V C -0.318 175.713 176.094 -0.105 0.000 1.135 128 V CA -0.883 61.339 62.300 -0.130 0.000 1.022 128 V CB 2.143 33.871 31.823 -0.159 0.000 1.056 128 V HN -0.001 nan 8.190 nan 0.000 0.436 129 E N 0.950 121.086 120.200 -0.106 0.000 2.601 129 E HA 0.675 5.025 4.350 -0.000 0.000 0.219 129 E C 0.120 176.671 176.600 -0.082 0.000 0.964 129 E CA 0.549 56.903 56.400 -0.077 0.000 1.050 129 E CB 1.553 31.214 29.700 -0.064 0.000 1.068 129 E HN 1.112 nan 8.360 nan 0.000 0.496 130 A N 0.532 123.295 122.820 -0.094 0.000 2.605 130 A HA 0.590 4.910 4.320 -0.000 0.000 0.294 130 A C -1.443 176.109 177.584 -0.053 0.000 1.062 130 A CA -0.535 51.461 52.037 -0.070 0.000 0.682 130 A CB 1.617 20.560 19.000 -0.095 0.000 1.278 130 A HN -0.028 nan 8.150 nan 0.000 0.410 131 V N 0.752 120.658 119.914 -0.013 0.000 2.577 131 V HA 0.744 4.864 4.120 -0.000 0.000 0.303 131 V C 0.259 176.362 176.094 0.014 0.000 1.042 131 V CA -0.164 62.151 62.300 0.025 0.000 0.872 131 V CB 1.589 33.481 31.823 0.115 0.000 0.998 131 V HN 1.612 nan 8.190 nan 0.000 0.423 132 A N 6.404 129.230 122.820 0.010 0.000 2.271 132 A HA 0.884 5.203 4.320 -0.000 0.000 0.317 132 A C -0.659 176.924 177.584 -0.001 0.000 1.245 132 A CA -0.405 51.627 52.037 -0.007 0.000 0.857 132 A CB 0.398 19.390 19.000 -0.013 0.000 1.175 132 A HN 0.782 nan 8.150 nan 0.000 0.512 133 I N 2.340 122.879 120.570 -0.051 0.000 2.389 133 I HA 0.377 4.546 4.170 -0.000 0.000 0.288 133 I C -0.236 175.817 176.117 -0.107 0.000 0.999 133 I CA -0.114 61.115 61.300 -0.118 0.000 1.129 133 I CB 2.006 39.816 38.000 -0.317 0.000 1.288 133 I HN 0.541 nan 8.210 nan 0.000 0.444 134 S N 3.626 119.313 115.700 -0.022 0.000 2.536 134 S HA 0.918 5.388 4.470 -0.000 0.000 0.287 134 S C 0.033 174.699 174.600 0.108 0.000 1.101 134 S CA -0.499 57.719 58.200 0.032 0.000 0.950 134 S CB 2.135 65.363 63.200 0.046 0.000 1.056 134 S HN 1.139 nan 8.310 nan 0.000 0.481 135 G N 1.825 110.702 108.800 0.129 0.000 2.710 135 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.668 135 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.668 135 G C -0.302 174.742 174.900 0.240 0.000 1.320 135 G CA -0.482 44.712 45.100 0.157 0.000 0.860 135 G HN 1.349 nan 8.290 nan 0.000 0.538 136 S N -0.886 114.908 115.700 0.157 0.000 2.707 136 S HA 0.779 5.249 4.470 -0.000 0.000 0.276 136 S C 0.601 175.223 174.600 0.037 0.000 1.179 136 S CA -0.826 57.441 58.200 0.111 0.000 0.992 136 S CB 1.353 64.585 63.200 0.054 0.000 1.030 136 S HN 0.936 nan 8.310 nan 0.000 0.554 137 L N 2.193 123.357 121.223 -0.099 0.000 2.397 137 L HA 0.378 4.718 4.340 -0.000 0.000 0.271 137 L C -1.813 174.986 176.870 -0.118 0.000 1.148 137 L CA -1.907 52.822 54.840 -0.184 0.000 0.825 137 L CB 0.128 42.015 42.059 -0.285 0.000 1.117 137 L HN 0.533 nan 8.230 nan 0.000 0.456 138 P HA 0.014 nan 4.420 nan 0.000 0.272 138 P C -0.752 176.445 177.300 -0.172 0.000 1.240 138 P CA -0.569 62.450 63.100 -0.135 0.000 0.791 138 P CB 0.594 32.192 31.700 -0.169 0.000 0.978 139 K N 0.304 120.617 120.400 -0.146 0.000 2.524 139 K HA 0.138 4.457 4.320 -0.000 0.000 0.279 139 K C 1.107 177.598 176.600 -0.181 0.000 0.993 139 K CA 1.145 57.349 56.287 -0.138 0.000 1.030 139 K CB -0.708 31.726 32.500 -0.110 0.000 0.891 139 K HN 0.802 nan 8.250 nan 0.000 0.488 140 G N 3.038 111.742 108.800 -0.159 0.000 2.234 140 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.235 140 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.235 140 G C 0.040 174.822 174.900 -0.195 0.000 0.997 140 G CA -0.017 44.984 45.100 -0.165 0.000 0.623 140 G HN 0.513 nan 8.290 nan 0.000 0.514 141 L N 1.100 122.170 121.223 -0.255 0.000 2.397 141 L HA 0.318 4.658 4.340 -0.000 0.000 0.271 141 L C 0.983 177.760 176.870 -0.156 0.000 1.148 141 L CA -0.632 54.022 54.840 -0.310 0.000 0.825 141 L CB 0.801 42.555 42.059 -0.507 0.000 1.117 141 L HN 0.314 nan 8.230 nan 0.000 0.456 142 N N 1.137 119.796 118.700 -0.069 0.000 2.407 142 N HA -0.079 4.661 4.740 -0.000 0.000 0.250 142 N C 0.888 176.408 175.510 0.016 0.000 1.236 142 N CA 0.205 53.259 53.050 0.006 0.000 0.879 142 N CB 0.629 39.159 38.487 0.072 0.000 1.088 142 N HN 0.536 nan 8.380 nan 0.000 0.450 143 Q N 0.644 120.447 119.800 0.005 0.000 2.308 143 Q HA -0.200 4.140 4.340 -0.000 0.000 0.209 143 Q C 0.439 176.462 176.000 0.038 0.000 0.985 143 Q CA 1.309 57.114 55.803 0.004 0.000 0.881 143 Q CB -0.100 28.642 28.738 0.006 0.000 0.917 143 Q HN 0.735 nan 8.270 nan 0.000 0.443 144 D N -1.012 119.430 120.400 0.069 0.000 2.328 144 D HA -0.132 4.508 4.640 -0.000 0.000 0.226 144 D C 1.145 177.514 176.300 0.115 0.000 1.066 144 D CA -0.016 54.036 54.000 0.087 0.000 0.861 144 D CB -0.268 40.578 40.800 0.075 0.000 0.912 144 D HN 0.213 nan 8.370 nan 0.000 0.521 145 Y N 0.561 120.843 120.300 -0.030 0.000 2.165 145 Y HA -0.256 4.294 4.550 -0.000 0.000 0.286 145 Y C 1.434 177.367 175.900 0.055 0.000 1.155 145 Y CA 1.607 59.693 58.100 -0.024 0.000 1.164 145 Y CB -0.258 38.147 38.460 -0.092 0.000 0.978 145 Y HN -0.082 nan 8.280 nan 0.000 0.513 146 Y N -0.920 119.431 120.300 0.085 0.000 2.242 146 Y HA -0.105 4.445 4.550 -0.000 0.000 0.291 146 Y C 2.552 178.426 175.900 -0.043 0.000 1.137 146 Y CA 0.456 58.553 58.100 -0.004 0.000 1.181 146 Y CB -1.385 37.104 38.460 0.048 0.000 0.989 146 Y HN 0.178 nan 8.280 nan 0.000 0.527 147 A N 0.160 123.077 122.820 0.162 0.000 1.892 147 A HA -0.293 4.026 4.320 -0.000 0.000 0.218 147 A C 2.199 179.798 177.584 0.025 0.000 1.188 147 A CA 2.063 54.169 52.037 0.115 0.000 0.631 147 A CB -0.836 18.239 19.000 0.125 0.000 0.822 147 A HN 0.532 nan 8.150 nan 0.000 0.447 148 Q N -0.795 118.972 119.800 -0.056 0.000 2.077 148 Q HA -0.175 4.165 4.340 -0.000 0.000 0.206 148 Q C 2.112 177.968 176.000 -0.240 0.000 0.989 148 Q CA 1.487 57.189 55.803 -0.167 0.000 0.853 148 Q CB -0.363 28.232 28.738 -0.239 0.000 0.907 148 Q HN 0.637 nan 8.270 nan 0.000 0.418 149 I N 0.857 121.249 120.570 -0.297 0.000 2.179 149 I HA -0.239 3.931 4.170 -0.000 0.000 0.242 149 I C 2.304 178.298 176.117 -0.205 0.000 1.088 149 I CA 1.183 62.231 61.300 -0.421 0.000 1.357 149 I CB -0.947 36.761 38.000 -0.486 0.000 1.051 149 I HN 0.246 nan 8.210 nan 0.000 0.409 150 I N 0.652 121.169 120.570 -0.088 0.000 2.361 150 I HA -0.251 3.919 4.170 -0.000 0.000 0.251 150 I C 2.483 178.589 176.117 -0.019 0.000 1.133 150 I CA 1.143 62.445 61.300 0.003 0.000 1.413 150 I CB -1.315 36.721 38.000 0.061 0.000 1.073 150 I HN 0.400 nan 8.210 nan 0.000 0.424 151 E N 1.337 121.444 120.200 -0.155 0.000 2.070 151 E HA -0.253 4.097 4.350 -0.000 0.000 0.197 151 E C 2.280 178.713 176.600 -0.279 0.000 1.004 151 E CA 1.429 57.528 56.400 -0.501 0.000 0.805 151 E CB 0.101 29.348 29.700 -0.755 0.000 0.744 151 E HN 0.272 nan 8.360 nan 0.000 0.451 152 R N 0.256 120.679 120.500 -0.129 0.000 2.120 152 R HA -0.115 4.225 4.340 -0.000 0.000 0.234 152 R C 2.442 178.778 176.300 0.059 0.000 1.123 152 R CA 1.164 57.262 56.100 -0.002 0.000 0.975 152 R CB -1.389 28.998 30.300 0.145 0.000 0.866 152 R HN 0.387 nan 8.270 nan 0.000 0.446 153 C N 0.803 120.170 119.300 0.111 0.000 2.453 153 C HA -0.011 4.449 4.460 -0.000 0.000 0.277 153 C C 2.696 177.715 174.990 0.048 0.000 1.262 153 C CA 0.295 59.371 59.018 0.098 0.000 1.718 153 C CB -0.546 27.274 27.740 0.134 0.000 2.031 153 C HN 0.464 nan 8.230 nan 0.000 0.480 154 Q N 1.053 120.880 119.800 0.045 0.000 2.124 154 Q HA -0.147 4.193 4.340 -0.000 0.000 0.202 154 Q C 1.772 177.796 176.000 0.040 0.000 0.977 154 Q CA 1.363 57.208 55.803 0.069 0.000 0.850 154 Q CB -0.736 28.096 28.738 0.155 0.000 0.901 154 Q HN 0.751 nan 8.270 nan 0.000 0.429 155 N N 0.205 118.900 118.700 -0.010 0.000 2.272 155 N HA -0.127 4.613 4.740 -0.000 0.000 0.185 155 N C 0.891 176.397 175.510 -0.006 0.000 1.014 155 N CA 0.680 53.720 53.050 -0.016 0.000 0.870 155 N CB 0.161 38.617 38.487 -0.052 0.000 0.975 155 N HN 0.037 nan 8.380 nan 0.000 0.433 156 K N -0.328 120.069 120.400 -0.006 0.000 2.413 156 K HA 0.156 4.476 4.320 -0.000 0.000 0.204 156 K C 0.548 177.148 176.600 0.001 0.000 1.041 156 K CA 0.020 56.299 56.287 -0.013 0.000 1.082 156 K CB 1.002 33.478 32.500 -0.039 0.000 0.871 156 K HN 0.154 nan 8.250 nan 0.000 0.535 157 G N 1.787 110.599 108.800 0.020 0.000 2.273 157 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.280 157 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.280 157 G C -0.056 174.863 174.900 0.031 0.000 1.047 157 G CA 0.234 45.354 45.100 0.033 0.000 0.869 157 G HN 0.113 nan 8.290 nan 0.000 0.502 158 V N 2.335 122.263 119.914 0.024 0.000 2.333 158 V HA 0.421 4.541 4.120 -0.000 0.000 0.274 158 V C -1.238 174.877 176.094 0.036 0.000 1.028 158 V CA -1.572 60.736 62.300 0.015 0.000 0.851 158 V CB 1.604 33.418 31.823 -0.016 0.000 1.000 158 V HN 0.286 nan 8.190 nan 0.000 0.456 159 P HA 0.225 nan 4.420 nan 0.000 0.271 159 P C -0.770 176.552 177.300 0.036 0.000 1.218 159 P CA -0.044 63.085 63.100 0.048 0.000 0.780 159 P CB 1.320 33.051 31.700 0.052 0.000 0.901 160 V N 4.210 124.152 119.914 0.046 0.000 2.448 160 V HA 0.287 4.407 4.120 -0.000 0.000 0.295 160 V C 0.286 176.392 176.094 0.020 0.000 1.025 160 V CA -0.550 61.769 62.300 0.032 0.000 0.859 160 V CB 1.385 33.229 31.823 0.036 0.000 0.988 160 V HN 0.329 nan 8.190 nan 0.000 0.431 161 I N 6.050 126.617 120.570 -0.005 0.000 2.312 161 I HA 0.455 4.625 4.170 -0.000 0.000 0.290 161 I C -0.470 175.630 176.117 -0.029 0.000 1.008 161 I CA -0.123 61.166 61.300 -0.018 0.000 1.226 161 I CB 1.419 39.392 38.000 -0.044 0.000 1.371 161 I HN 0.436 nan 8.210 nan 0.000 0.468 162 L N 6.677 127.888 121.223 -0.020 0.000 2.341 162 L HA 0.632 4.972 4.340 -0.000 0.000 0.278 162 L C -1.073 175.788 176.870 -0.014 0.000 1.005 162 L CA 0.015 54.827 54.840 -0.046 0.000 0.818 162 L CB 1.513 43.544 42.059 -0.047 0.000 1.259 162 L HN 0.477 nan 8.230 nan 0.000 0.418 163 D N 4.473 124.859 120.400 -0.023 0.000 2.378 163 D HA 0.421 5.061 4.640 -0.000 0.000 0.265 163 D C -0.967 175.356 176.300 0.038 0.000 1.229 163 D CA -0.138 53.872 54.000 0.016 0.000 0.914 163 D CB 0.655 41.463 40.800 0.014 0.000 1.140 163 D HN 0.752 nan 8.370 nan 0.000 0.516 164 C N 0.721 120.060 119.300 0.065 0.000 3.307 164 C HA 1.011 5.471 4.460 -0.000 0.000 0.350 164 C C -0.318 174.737 174.990 0.109 0.000 1.549 164 C CA -0.600 58.484 59.018 0.111 0.000 1.396 164 C CB 1.262 29.113 27.740 0.186 0.000 1.970 164 C HN 0.482 nan 8.230 nan 0.000 0.441 165 S N -0.620 115.148 115.700 0.113 0.000 2.671 165 S HA 0.914 5.384 4.470 -0.000 0.000 0.277 165 S C 0.199 174.853 174.600 0.091 0.000 1.165 165 S CA 0.599 58.858 58.200 0.099 0.000 0.822 165 S CB 0.707 63.958 63.200 0.086 0.000 1.150 165 S HN 3.079 nan 8.310 nan 0.000 0.479 166 G N 1.236 110.084 108.800 0.080 0.000 2.552 166 G HA2 0.068 4.028 3.960 -0.000 0.000 0.265 166 G HA3 0.068 4.028 3.960 -0.000 0.000 0.265 166 G C 1.036 175.971 174.900 0.058 0.000 1.234 166 G CA 0.710 45.849 45.100 0.065 0.000 0.944 166 G HN 1.992 nan 8.290 nan 0.000 0.568 167 A N -1.642 121.205 122.820 0.046 0.000 2.070 167 A HA 0.157 4.477 4.320 -0.000 0.000 0.220 167 A C 2.564 180.177 177.584 0.048 0.000 1.159 167 A CA 3.001 55.059 52.037 0.037 0.000 0.656 167 A CB -0.916 18.099 19.000 0.024 0.000 0.800 167 A HN 1.366 nan 8.150 nan 0.000 0.453 168 T N 0.132 114.725 114.554 0.066 0.000 2.674 168 T HA -0.144 4.206 4.350 -0.000 0.000 0.265 168 T C 1.831 176.614 174.700 0.137 0.000 1.039 168 T CA 1.526 63.686 62.100 0.101 0.000 1.150 168 T CB -0.387 68.558 68.868 0.129 0.000 0.864 168 T HN 0.335 nan 8.240 nan 0.000 0.427 169 L N 1.285 122.582 121.223 0.124 0.000 2.046 169 L HA -0.031 4.309 4.340 -0.000 0.000 0.208 169 L C 2.557 179.469 176.870 0.070 0.000 1.077 169 L CA 1.813 56.721 54.840 0.114 0.000 0.747 169 L CB -1.003 41.124 42.059 0.114 0.000 0.896 169 L HN 0.159 nan 8.230 nan 0.000 0.432 170 Q N -0.813 119.013 119.800 0.044 0.000 2.077 170 Q HA -0.211 4.129 4.340 -0.000 0.000 0.206 170 Q C 2.013 178.019 176.000 0.010 0.000 0.989 170 Q CA 2.921 58.725 55.803 0.002 0.000 0.853 170 Q CB -0.593 28.146 28.738 0.003 0.000 0.907 170 Q HN 0.559 nan 8.270 nan 0.000 0.418 171 T N -0.318 114.259 114.554 0.038 0.000 2.746 171 T HA -0.118 4.232 4.350 -0.000 0.000 0.267 171 T C 1.795 176.531 174.700 0.060 0.000 1.039 171 T CA 1.400 63.527 62.100 0.045 0.000 1.142 171 T CB -0.392 68.510 68.868 0.056 0.000 0.866 171 T HN 0.121 nan 8.240 nan 0.000 0.444 172 V N 1.643 121.611 119.914 0.088 0.000 2.295 172 V HA -0.111 4.009 4.120 -0.000 0.000 0.246 172 V C 2.499 178.625 176.094 0.054 0.000 1.049 172 V CA 1.465 63.823 62.300 0.097 0.000 1.024 172 V CB -0.707 31.192 31.823 0.125 0.000 0.648 172 V HN 0.455 nan 8.190 nan 0.000 0.447 173 L N -0.305 120.932 121.223 0.024 0.000 2.187 173 L HA -0.198 4.142 4.340 -0.000 0.000 0.213 173 L C 2.391 179.236 176.870 -0.043 0.000 1.100 173 L CA 1.543 56.368 54.840 -0.026 0.000 0.765 173 L CB -0.595 41.398 42.059 -0.110 0.000 0.904 173 L HN 0.435 nan 8.230 nan 0.000 0.437 174 E N -0.003 120.180 120.200 -0.028 0.000 2.371 174 E HA -0.073 4.277 4.350 -0.000 0.000 0.194 174 E C 0.600 177.189 176.600 -0.018 0.000 1.012 174 E CA -0.044 56.339 56.400 -0.029 0.000 0.860 174 E CB 0.028 29.715 29.700 -0.021 0.000 0.811 174 E HN 0.594 nan 8.360 nan 0.000 0.502 175 N N 0.543 119.244 118.700 0.002 0.000 2.495 175 N HA 0.065 4.805 4.740 -0.000 0.000 0.280 175 N C -1.769 173.707 175.510 -0.057 0.000 1.168 175 N CA -1.346 51.705 53.050 0.002 0.000 0.978 175 N CB 1.187 39.715 38.487 0.068 0.000 1.191 175 N HN -0.337 nan 8.380 nan 0.000 0.497 176 P HA -0.086 nan 4.420 nan 0.000 0.223 176 P C -0.634 176.413 177.300 -0.422 0.000 1.151 176 P CA 1.079 63.970 63.100 -0.348 0.000 0.787 176 P CB -0.067 31.293 31.700 -0.567 0.000 0.788 177 Y N 1.215 121.527 120.300 0.019 0.000 2.477 177 Y HA 0.238 4.788 4.550 -0.000 0.000 0.349 177 Y C 1.063 176.980 175.900 0.028 0.000 0.977 177 Y CA -0.640 57.473 58.100 0.022 0.000 1.214 177 Y CB 0.484 38.956 38.460 0.020 0.000 1.124 177 Y HN -0.288 nan 8.280 nan 0.000 0.521 178 K N 5.439 125.915 120.400 0.128 0.000 2.110 178 K HA 0.419 4.739 4.320 -0.000 0.000 0.263 178 K C -2.675 173.985 176.600 0.100 0.000 0.975 178 K CA -2.271 54.071 56.287 0.091 0.000 0.895 178 K CB 1.168 33.705 32.500 0.060 0.000 1.060 178 K HN 0.323 nan 8.250 nan 0.000 0.448 179 P HA 0.137 nan 4.420 nan 0.000 0.274 179 P C 0.159 177.516 177.300 0.095 0.000 1.237 179 P CA -0.179 62.968 63.100 0.079 0.000 0.793 179 P CB 0.674 32.412 31.700 0.063 0.000 0.977 180 T N -0.341 114.272 114.554 0.098 0.000 2.942 180 T HA 0.080 4.430 4.350 -0.000 0.000 0.265 180 T C 0.786 175.597 174.700 0.185 0.000 1.062 180 T CA 0.889 63.070 62.100 0.134 0.000 1.139 180 T CB -0.007 68.937 68.868 0.128 0.000 0.883 180 T HN 0.243 nan 8.240 nan 0.000 0.468 181 V N 2.295 122.291 119.914 0.136 0.000 2.841 181 V HA 0.580 4.700 4.120 -0.000 0.000 0.310 181 V C -0.653 175.498 176.094 0.094 0.000 1.090 181 V CA -1.452 60.932 62.300 0.141 0.000 0.930 181 V CB 2.097 33.940 31.823 0.033 0.000 1.014 181 V HN 0.383 nan 8.190 nan 0.000 0.425 182 I N 0.385 121.021 120.570 0.111 0.000 2.603 182 I HA 0.708 4.878 4.170 -0.000 0.000 0.300 182 I C -0.417 175.738 176.117 0.063 0.000 1.017 182 I CA -0.555 60.798 61.300 0.088 0.000 1.098 182 I CB 2.086 40.164 38.000 0.130 0.000 1.279 182 I HN 0.496 nan 8.210 nan 0.000 0.437 183 K N 5.923 126.350 120.400 0.044 0.000 2.954 183 K HA 0.451 4.771 4.320 -0.000 0.000 0.171 183 K C -2.766 173.859 176.600 0.042 0.000 1.079 183 K CA -1.590 54.715 56.287 0.029 0.000 0.908 183 K CB 1.088 33.587 32.500 -0.002 0.000 1.142 183 K HN 0.508 nan 8.250 nan 0.000 0.613 184 P HA 0.066 nan 4.420 nan 0.000 0.274 184 P C -0.563 176.770 177.300 0.054 0.000 1.231 184 P CA -0.362 62.775 63.100 0.061 0.000 0.790 184 P CB 0.595 32.336 31.700 0.068 0.000 0.951 185 N N 1.858 120.593 118.700 0.059 0.000 2.381 185 N HA 0.031 4.771 4.740 -0.000 0.000 0.254 185 N C 1.221 176.777 175.510 0.077 0.000 1.264 185 N CA -0.509 52.579 53.050 0.063 0.000 0.942 185 N CB -0.101 38.421 38.487 0.058 0.000 1.190 185 N HN 0.397 nan 8.380 nan 0.000 0.495 186 I N -0.667 119.959 120.570 0.094 0.000 2.208 186 I HA -0.310 3.860 4.170 -0.000 0.000 0.245 186 I C 2.166 178.406 176.117 0.206 0.000 1.097 186 I CA 1.655 63.040 61.300 0.142 0.000 1.363 186 I CB -0.352 37.741 38.000 0.155 0.000 1.051 186 I HN 0.721 nan 8.210 nan 0.000 0.413 187 S N 0.429 116.220 115.700 0.152 0.000 2.359 187 S HA -0.293 4.177 4.470 -0.000 0.000 0.224 187 S C 1.908 176.594 174.600 0.145 0.000 1.035 187 S CA 2.092 60.379 58.200 0.146 0.000 1.018 187 S CB -0.463 62.792 63.200 0.091 0.000 0.876 187 S HN 0.617 nan 8.310 nan 0.000 0.448 188 E N 0.220 120.486 120.200 0.110 0.000 2.077 188 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 188 E C 2.082 178.743 176.600 0.102 0.000 0.989 188 E CA 1.260 57.720 56.400 0.100 0.000 0.800 188 E CB -0.299 29.453 29.700 0.086 0.000 0.746 188 E HN 0.458 nan 8.360 nan 0.000 0.452 189 L N 0.111 121.373 121.223 0.065 0.000 1.989 189 L HA -0.233 4.107 4.340 -0.000 0.000 0.211 189 L C 1.983 178.834 176.870 -0.032 0.000 1.071 189 L CA 1.841 56.669 54.840 -0.019 0.000 0.749 189 L CB -0.545 41.395 42.059 -0.199 0.000 0.890 189 L HN 0.133 nan 8.230 nan 0.000 0.431 190 Y N -0.525 119.825 120.300 0.084 0.000 2.263 190 Y HA -0.183 4.367 4.550 -0.000 0.000 0.292 190 Y C 2.713 178.655 175.900 0.070 0.000 1.130 190 Y CA 1.408 59.551 58.100 0.072 0.000 1.179 190 Y CB -0.290 38.194 38.460 0.039 0.000 0.998 190 Y HN 0.327 nan 8.280 nan 0.000 0.532 191 Q N -0.190 119.731 119.800 0.202 0.000 2.061 191 Q HA -0.240 4.100 4.340 -0.000 0.000 0.204 191 Q C 2.242 178.308 176.000 0.110 0.000 0.984 191 Q CA 1.820 57.703 55.803 0.133 0.000 0.846 191 Q CB -0.422 28.380 28.738 0.105 0.000 0.902 191 Q HN 0.443 nan 8.270 nan 0.000 0.421 192 L N 0.087 121.377 121.223 0.112 0.000 2.042 192 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 192 L C 1.647 178.566 176.870 0.082 0.000 1.076 192 L CA 1.546 56.443 54.840 0.095 0.000 0.749 192 L CB -0.195 41.939 42.059 0.124 0.000 0.893 192 L HN 0.194 nan 8.230 nan 0.000 0.432 193 L N 0.364 121.656 121.223 0.114 0.000 2.554 193 L HA 0.065 4.405 4.340 -0.000 0.000 0.226 193 L C 0.815 177.749 176.870 0.107 0.000 1.137 193 L CA 0.499 55.405 54.840 0.111 0.000 0.863 193 L CB -1.077 41.069 42.059 0.144 0.000 0.985 193 L HN 0.446 nan 8.230 nan 0.000 0.451 194 N N -0.353 118.410 118.700 0.106 0.000 2.714 194 N HA -0.244 4.496 4.740 -0.000 0.000 0.250 194 N C 0.244 175.814 175.510 0.100 0.000 1.117 194 N CA 0.711 53.814 53.050 0.088 0.000 0.719 194 N CB -1.199 37.324 38.487 0.059 0.000 1.081 194 N HN 0.528 nan 8.380 nan 0.000 0.557 195 Q N -0.062 119.832 119.800 0.158 0.000 2.248 195 Q HA 0.507 4.847 4.340 -0.000 0.000 0.263 195 Q C -2.360 173.698 176.000 0.098 0.000 1.007 195 Q CA -1.699 54.199 55.803 0.158 0.000 0.877 195 Q CB 1.192 30.094 28.738 0.273 0.000 1.315 195 Q HN -0.022 nan 8.270 nan 0.000 0.454 196 P HA -0.017 nan 4.420 nan 0.000 0.268 196 P C -0.886 176.165 177.300 -0.416 0.000 1.204 196 P CA -0.099 62.922 63.100 -0.131 0.000 0.768 196 P CB 0.392 32.026 31.700 -0.111 0.000 0.842 197 L N 3.426 124.402 121.223 -0.412 0.000 2.534 197 L HA 0.131 4.471 4.340 -0.000 0.000 0.271 197 L C 0.068 176.557 176.870 -0.635 0.000 1.178 197 L CA 0.743 55.177 54.840 -0.677 0.000 0.907 197 L CB -0.043 41.868 42.059 -0.245 0.000 1.164 197 L HN 0.324 nan 8.230 nan 0.000 0.482 198 D N 3.699 123.550 120.400 -0.915 0.000 2.788 198 D HA 0.161 4.801 4.640 -0.000 0.000 0.247 198 D C 0.056 176.245 176.300 -0.186 0.000 1.236 198 D CA -0.349 53.402 54.000 -0.415 0.000 0.898 198 D CB 1.497 42.101 40.800 -0.327 0.000 1.401 198 D HN 0.599 nan 8.370 nan 0.000 0.549 199 E N 0.791 120.922 120.200 -0.115 0.000 2.489 199 E HA 0.050 4.400 4.350 -0.000 0.000 0.193 199 E C 0.559 177.104 176.600 -0.092 0.000 1.057 199 E CA -0.062 56.299 56.400 -0.066 0.000 0.866 199 E CB 0.326 29.996 29.700 -0.051 0.000 0.916 199 E HN 0.474 nan 8.360 nan 0.000 0.500 200 S N 0.031 115.672 115.700 -0.100 0.000 2.576 200 S HA 0.106 4.576 4.470 -0.000 0.000 0.276 200 S C 1.216 175.708 174.600 -0.179 0.000 1.339 200 S CA -0.533 57.601 58.200 -0.110 0.000 1.039 200 S CB 1.112 64.260 63.200 -0.087 0.000 0.902 200 S HN 0.131 nan 8.310 nan 0.000 0.516 201 L N 0.806 121.921 121.223 -0.180 0.000 2.042 201 L HA -0.113 4.227 4.340 -0.000 0.000 0.210 201 L C 2.875 179.576 176.870 -0.282 0.000 1.076 201 L CA 1.454 56.136 54.840 -0.263 0.000 0.749 201 L CB -0.543 41.441 42.059 -0.125 0.000 0.893 201 L HN 0.712 nan 8.230 nan 0.000 0.432 202 E N -0.551 119.544 120.200 -0.175 0.000 2.110 202 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 202 E C 2.377 178.898 176.600 -0.132 0.000 0.988 202 E CA 1.396 57.708 56.400 -0.147 0.000 0.804 202 E CB -0.126 29.521 29.700 -0.089 0.000 0.745 202 E HN 0.306 nan 8.360 nan 0.000 0.458 203 S N 0.161 115.798 115.700 -0.106 0.000 2.368 203 S HA -0.055 4.415 4.470 -0.000 0.000 0.224 203 S C 2.131 176.706 174.600 -0.042 0.000 1.029 203 S CA 0.593 58.777 58.200 -0.026 0.000 0.988 203 S CB -0.123 63.090 63.200 0.022 0.000 0.838 203 S HN 0.157 nan 8.310 nan 0.000 0.462 204 L N 0.951 122.053 121.223 -0.202 0.000 2.083 204 L HA -0.097 4.242 4.340 -0.000 0.000 0.209 204 L C 2.675 179.366 176.870 -0.299 0.000 1.083 204 L CA 1.382 55.984 54.840 -0.397 0.000 0.752 204 L CB -0.401 41.057 42.059 -1.002 0.000 0.899 204 L HN 0.277 nan 8.230 nan 0.000 0.433 205 K N -0.459 119.742 120.400 -0.331 0.000 2.097 205 K HA -0.198 4.122 4.320 -0.000 0.000 0.206 205 K C 2.164 178.725 176.600 -0.065 0.000 1.049 205 K CA 1.289 57.410 56.287 -0.276 0.000 0.933 205 K CB -0.050 32.106 32.500 -0.572 0.000 0.717 205 K HN 0.412 nan 8.250 nan 0.000 0.442 206 Q N -0.242 119.527 119.800 -0.051 0.000 2.137 206 Q HA -0.039 4.301 4.340 -0.000 0.000 0.198 206 Q C 2.125 178.163 176.000 0.062 0.000 0.960 206 Q CA 1.035 56.855 55.803 0.027 0.000 0.847 206 Q CB 0.009 28.761 28.738 0.024 0.000 0.915 206 Q HN 0.297 nan 8.270 nan 0.000 0.448 207 A N 0.809 123.637 122.820 0.013 0.000 1.858 207 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 207 A C 2.256 179.829 177.584 -0.018 0.000 1.190 207 A CA 1.813 53.838 52.037 -0.020 0.000 0.617 207 A CB -0.962 17.882 19.000 -0.260 0.000 0.827 207 A HN 0.334 nan 8.150 nan 0.000 0.443 208 V N -3.093 116.761 119.914 -0.099 0.000 2.970 208 V HA 0.003 4.123 4.120 -0.000 0.000 0.260 208 V C 1.546 177.658 176.094 0.031 0.000 1.100 208 V CA 2.084 64.224 62.300 -0.267 0.000 1.122 208 V CB -0.369 31.417 31.823 -0.062 0.000 0.721 208 V HN 0.304 nan 8.190 nan 0.000 0.483 209 S N -0.225 115.586 115.700 0.186 0.000 2.577 209 S HA 0.226 4.696 4.470 -0.000 0.000 0.219 209 S C 0.744 175.482 174.600 0.231 0.000 0.962 209 S CA -0.195 58.143 58.200 0.231 0.000 0.921 209 S CB -0.272 63.085 63.200 0.262 0.000 0.789 209 S HN 0.739 nan 8.310 nan 0.000 0.497 210 Q N 1.424 121.409 119.800 0.308 0.000 2.421 210 Q HA 0.095 4.435 4.340 -0.000 0.000 0.255 210 Q C -1.670 174.448 176.000 0.196 0.000 1.013 210 Q CA -1.597 54.355 55.803 0.247 0.000 0.895 210 Q CB 0.141 29.034 28.738 0.258 0.000 1.271 210 Q HN 0.029 nan 8.270 nan 0.000 0.460 211 P HA -0.206 nan 4.420 nan 0.000 0.217 211 P C 1.119 178.401 177.300 -0.030 0.000 1.148 211 P CA 0.912 64.032 63.100 0.034 0.000 0.828 211 P CB 0.135 31.841 31.700 0.011 0.000 0.783 212 L N -1.648 119.490 121.223 -0.141 0.000 2.127 212 L HA -0.106 4.234 4.340 -0.000 0.000 0.211 212 L C 1.543 178.170 176.870 -0.405 0.000 1.089 212 L CA 1.774 56.403 54.840 -0.352 0.000 0.757 212 L CB -1.088 40.613 42.059 -0.597 0.000 0.899 212 L HN -0.097 nan 8.230 nan 0.000 0.434 213 F N -0.690 119.275 119.950 0.026 0.000 2.660 213 F HA 0.199 4.725 4.527 -0.000 0.000 0.302 213 F C 1.012 176.821 175.800 0.015 0.000 1.103 213 F CA -0.597 57.420 58.000 0.028 0.000 1.340 213 F CB -0.393 38.631 39.000 0.041 0.000 1.048 213 F HN 0.063 nan 8.300 nan 0.000 0.551 214 E N 0.910 121.174 120.200 0.107 0.000 2.415 214 E HA 0.296 4.646 4.350 -0.000 0.000 0.263 214 E C 1.245 177.869 176.600 0.039 0.000 0.995 214 E CA 0.931 57.367 56.400 0.060 0.000 0.915 214 E CB 0.425 30.139 29.700 0.024 0.000 0.951 214 E HN 0.412 nan 8.360 nan 0.000 0.449 215 G N 3.928 112.739 108.800 0.019 0.000 2.143 215 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.248 215 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.248 215 G C 0.049 174.966 174.900 0.027 0.000 0.991 215 G CA 0.220 45.323 45.100 0.005 0.000 0.689 215 G HN 0.517 nan 8.290 nan 0.000 0.522 216 I N 0.638 121.240 120.570 0.053 0.000 2.312 216 I HA 0.284 4.453 4.170 -0.000 0.000 0.290 216 I C 1.437 177.582 176.117 0.047 0.000 1.008 216 I CA -0.441 60.908 61.300 0.081 0.000 1.226 216 I CB 1.510 39.596 38.000 0.143 0.000 1.371 216 I HN 0.265 nan 8.210 nan 0.000 0.468 217 E N 5.355 125.592 120.200 0.062 0.000 2.031 217 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 217 E C -0.331 176.278 176.600 0.015 0.000 0.994 217 E CA 1.396 57.810 56.400 0.023 0.000 0.800 217 E CB 0.288 30.047 29.700 0.097 0.000 0.752 217 E HN 0.566 nan 8.360 nan 0.000 0.447 218 W N 0.271 121.612 121.300 0.067 0.000 2.471 218 W HA 0.456 5.116 4.660 -0.000 0.000 0.318 218 W C -1.020 175.500 176.519 0.002 0.000 1.034 218 W CA -0.639 56.720 57.345 0.023 0.000 1.224 218 W CB 1.151 30.580 29.460 -0.051 0.000 1.335 218 W HN -0.051 nan 8.180 nan 0.000 0.452 219 I N 5.906 126.620 120.570 0.240 0.000 2.359 219 I HA 0.318 4.488 4.170 -0.000 0.000 0.284 219 I C -0.371 175.832 176.117 0.143 0.000 1.018 219 I CA -0.576 60.799 61.300 0.126 0.000 1.173 219 I CB 0.555 38.544 38.000 -0.018 0.000 1.326 219 I HN 0.214 nan 8.210 nan 0.000 0.462 220 I N 7.106 127.748 120.570 0.120 0.000 2.330 220 I HA 0.267 4.437 4.170 -0.000 0.000 0.286 220 I C -0.375 175.782 176.117 0.066 0.000 1.025 220 I CA -0.722 60.628 61.300 0.082 0.000 1.197 220 I CB 1.407 39.402 38.000 -0.008 0.000 1.358 220 I HN 0.196 nan 8.210 nan 0.000 0.467 221 V N 5.684 125.665 119.914 0.112 0.000 2.348 221 V HA 0.220 4.340 4.120 -0.000 0.000 0.270 221 V C 0.552 176.716 176.094 0.117 0.000 1.037 221 V CA -0.482 61.892 62.300 0.124 0.000 0.872 221 V CB 1.055 32.998 31.823 0.200 0.000 1.002 221 V HN 0.843 nan 8.190 nan 0.000 0.464 222 S N 5.617 121.360 115.700 0.072 0.000 2.586 222 S HA 0.668 5.138 4.470 -0.000 0.000 0.274 222 S C -0.068 174.570 174.600 0.063 0.000 1.281 222 S CA -0.681 57.552 58.200 0.055 0.000 1.035 222 S CB 1.214 64.432 63.200 0.029 0.000 0.962 222 S HN 0.539 nan 8.310 nan 0.000 0.512 223 L N 2.216 123.472 121.223 0.055 0.000 3.289 223 L HA 0.415 4.755 4.340 -0.000 0.000 0.291 223 L C 1.412 178.303 176.870 0.035 0.000 1.279 223 L CA -0.128 54.744 54.840 0.054 0.000 1.025 223 L CB -0.603 41.494 42.059 0.063 0.000 1.413 223 L HN 1.175 nan 8.230 nan 0.000 0.593 224 G N 1.517 110.335 108.800 0.029 0.000 2.611 224 G HA2 -0.443 3.517 3.960 -0.000 0.000 0.301 224 G HA3 -0.443 3.517 3.960 -0.000 0.000 0.301 224 G C 1.001 175.909 174.900 0.013 0.000 1.233 224 G CA 0.614 45.727 45.100 0.020 0.000 0.993 224 G HN 0.359 nan 8.290 nan 0.000 0.553 225 A N -1.393 121.434 122.820 0.011 0.000 2.070 225 A HA 0.079 4.399 4.320 -0.000 0.000 0.220 225 A C 2.209 179.795 177.584 0.004 0.000 1.159 225 A CA 2.555 54.595 52.037 0.005 0.000 0.656 225 A CB -0.293 18.710 19.000 0.005 0.000 0.800 225 A HN 0.666 nan 8.150 nan 0.000 0.453 226 Q N -1.229 118.578 119.800 0.011 0.000 2.444 226 Q HA 0.359 4.699 4.340 -0.000 0.000 0.206 226 Q C 1.272 177.283 176.000 0.018 0.000 0.948 226 Q CA 0.847 56.659 55.803 0.014 0.000 0.946 226 Q CB 0.070 28.819 28.738 0.019 0.000 1.027 226 Q HN 0.824 nan 8.270 nan 0.000 0.513 227 G N -0.173 108.635 108.800 0.012 0.000 2.662 227 G HA2 0.004 3.964 3.960 -0.000 0.000 0.236 227 G HA3 0.004 3.964 3.960 -0.000 0.000 0.236 227 G C -0.538 174.378 174.900 0.027 0.000 1.212 227 G CA -0.271 44.832 45.100 0.005 0.000 0.968 227 G HN 0.749 nan 8.290 nan 0.000 0.576 228 A N -1.127 121.722 122.820 0.048 0.000 2.606 228 A HA 0.862 5.182 4.320 -0.000 0.000 0.293 228 A C -1.404 176.293 177.584 0.187 0.000 1.082 228 A CA 0.409 52.498 52.037 0.088 0.000 0.685 228 A CB 1.719 20.734 19.000 0.025 0.000 1.284 228 A HN 2.183 nan 8.150 nan 0.000 0.408 229 F N 0.705 120.690 119.950 0.058 0.000 2.556 229 F HA 0.788 5.315 4.527 -0.000 0.000 0.314 229 F C -0.182 175.707 175.800 0.148 0.000 1.106 229 F CA -0.011 58.050 58.000 0.101 0.000 0.911 229 F CB 1.892 40.934 39.000 0.070 0.000 1.190 229 F HN 1.079 nan 8.300 nan 0.000 0.448 230 A N 5.537 128.034 122.820 -0.539 0.000 2.498 230 A HA 0.657 4.977 4.320 -0.000 0.000 0.298 230 A C -1.747 175.662 177.584 -0.292 0.000 1.075 230 A CA -0.930 50.994 52.037 -0.188 0.000 0.714 230 A CB 1.821 20.963 19.000 0.236 0.000 1.299 230 A HN 0.759 nan 8.150 nan 0.000 0.407 231 K N 1.301 121.645 120.400 -0.094 0.000 2.358 231 K HA 0.391 4.711 4.320 -0.000 0.000 0.260 231 K C -1.293 175.193 176.600 -0.189 0.000 0.956 231 K CA -0.347 55.812 56.287 -0.212 0.000 0.834 231 K CB 0.789 33.172 32.500 -0.195 0.000 1.102 231 K HN 0.935 nan 8.250 nan 0.000 0.431 232 H N 4.767 123.514 119.070 -0.540 0.000 2.685 232 H HA 0.153 4.709 4.556 -0.000 0.000 0.307 232 H C -0.054 174.887 175.328 -0.646 0.000 1.017 232 H CA -0.050 55.472 56.048 -0.877 0.000 1.237 232 H CB 0.464 29.434 29.762 -1.320 0.000 1.409 232 H HN 0.996 nan 8.280 nan 0.000 0.488 233 N N 2.339 120.666 118.700 -0.621 0.000 1.758 233 N HA -0.379 4.361 4.740 -0.000 0.000 0.152 233 N C 0.217 175.295 175.510 -0.721 0.000 0.558 233 N CA 2.227 54.874 53.050 -0.672 0.000 1.229 233 N CB -0.764 37.295 38.487 -0.713 0.000 1.337 233 N HN 0.716 nan 8.380 nan 0.000 0.432 234 H N -0.564 118.238 119.070 -0.446 0.000 2.622 234 H HA 0.290 4.846 4.556 -0.000 0.000 0.269 234 H C -0.325 174.636 175.328 -0.610 0.000 0.977 234 H CA 0.465 56.243 56.048 -0.450 0.000 1.179 234 H CB 0.669 30.262 29.762 -0.281 0.000 1.458 234 H HN 0.151 nan 8.280 nan 0.000 0.531 235 T N 1.561 115.791 114.554 -0.540 0.000 2.771 235 T HA 0.206 4.556 4.350 -0.000 0.000 0.291 235 T C -0.454 173.769 174.700 -0.796 0.000 0.954 235 T CA -0.309 61.432 62.100 -0.598 0.000 1.045 235 T CB 0.447 68.983 68.868 -0.553 0.000 0.917 235 T HN -0.013 nan 8.240 nan 0.000 0.484 236 F N 2.434 122.127 119.950 -0.428 0.000 2.404 236 F HA 0.524 5.051 4.527 -0.000 0.000 0.339 236 F C -0.049 175.444 175.800 -0.512 0.000 1.105 236 F CA -0.992 56.761 58.000 -0.411 0.000 1.087 236 F CB 0.883 39.791 39.000 -0.154 0.000 1.143 236 F HN 0.513 nan 8.300 nan 0.000 0.491 237 Y N 1.262 121.519 120.300 -0.073 0.000 2.425 237 Y HA 0.614 5.164 4.550 -0.000 0.000 0.344 237 Y C -0.254 175.616 175.900 -0.050 0.000 0.969 237 Y CA -1.225 56.850 58.100 -0.043 0.000 1.052 237 Y CB 2.015 40.460 38.460 -0.025 0.000 1.215 237 Y HN 0.363 nan 8.280 nan 0.000 0.451 238 R N 1.611 122.245 120.500 0.223 0.000 2.445 238 R HA 0.697 5.037 4.340 -0.000 0.000 0.308 238 R C -2.092 174.267 176.300 0.098 0.000 0.961 238 R CA -0.817 55.404 56.100 0.202 0.000 0.862 238 R CB 1.227 31.649 30.300 0.203 0.000 1.144 238 R HN 0.498 nan 8.270 nan 0.000 0.447 239 V N 5.718 125.669 119.914 0.063 0.000 2.326 239 V HA 0.441 4.561 4.120 -0.000 0.000 0.281 239 V C -0.498 175.588 176.094 -0.013 0.000 1.015 239 V CA -0.980 61.306 62.300 -0.023 0.000 0.823 239 V CB 1.264 33.043 31.823 -0.072 0.000 1.009 239 V HN 0.710 nan 8.190 nan 0.000 0.436 240 N N 5.343 124.026 118.700 -0.027 0.000 2.456 240 N HA 0.682 5.422 4.740 -0.000 0.000 0.288 240 N C -0.520 174.963 175.510 -0.046 0.000 1.059 240 N CA -0.291 52.748 53.050 -0.020 0.000 0.946 240 N CB 2.731 41.214 38.487 -0.006 0.000 1.150 240 N HN 0.802 nan 8.380 nan 0.000 0.479 241 I N -1.430 119.118 120.570 -0.037 0.000 2.785 241 I HA 0.661 4.831 4.170 -0.000 0.000 0.302 241 I C -2.362 173.736 176.117 -0.032 0.000 1.069 241 I CA -2.080 59.191 61.300 -0.048 0.000 1.045 241 I CB 1.956 39.924 38.000 -0.054 0.000 1.236 241 I HN 0.238 nan 8.210 nan 0.000 0.429 242 P HA 0.178 nan 4.420 nan 0.000 0.272 242 P C -0.538 176.752 177.300 -0.015 0.000 1.240 242 P CA -0.101 62.987 63.100 -0.021 0.000 0.791 242 P CB 0.440 32.127 31.700 -0.021 0.000 0.978 243 T N 1.863 116.412 114.554 -0.009 0.000 2.749 243 T HA 0.493 4.843 4.350 -0.000 0.000 0.295 243 T C 0.567 175.266 174.700 -0.003 0.000 0.936 243 T CA -0.227 61.871 62.100 -0.005 0.000 1.060 243 T CB -0.285 68.581 68.868 -0.002 0.000 0.904 243 T HN 0.351 nan 8.240 nan 0.000 0.500 244 I N -0.812 119.757 120.570 -0.001 0.000 3.108 244 I HA 0.676 4.846 4.170 -0.000 0.000 0.312 244 I C -0.219 175.902 176.117 0.006 0.000 1.095 244 I CA -1.211 60.090 61.300 0.002 0.000 1.000 244 I CB 2.000 40.000 38.000 -0.000 0.000 1.229 244 I HN 0.257 nan 8.210 nan 0.000 0.454 245 S N 2.356 118.061 115.700 0.010 0.000 2.443 245 S HA 0.327 4.797 4.470 -0.000 0.000 0.284 245 S C -0.111 174.499 174.600 0.016 0.000 1.206 245 S CA -0.505 57.703 58.200 0.013 0.000 1.074 245 S CB 0.295 63.504 63.200 0.015 0.000 0.963 245 S HN 0.362 nan 8.310 nan 0.000 0.501 246 V N 5.981 125.904 119.914 0.014 0.000 2.427 246 V HA 0.318 4.438 4.120 -0.000 0.000 0.286 246 V C 0.756 176.861 176.094 0.018 0.000 1.034 246 V CA -0.369 61.941 62.300 0.017 0.000 0.893 246 V CB 1.362 33.193 31.823 0.014 0.000 0.982 246 V HN 0.847 nan 8.190 nan 0.000 0.452 247 L N 2.630 123.867 121.223 0.023 0.000 2.356 247 L HA 0.403 4.743 4.340 -0.000 0.000 0.193 247 L C 0.578 177.460 176.870 0.021 0.000 1.087 247 L CA 0.509 55.362 54.840 0.021 0.000 0.817 247 L CB 0.293 42.367 42.059 0.025 0.000 1.035 247 L HN 0.678 nan 8.230 nan 0.000 0.482 248 N N -0.436 118.280 118.700 0.027 0.000 2.599 248 N HA 0.181 4.921 4.740 -0.000 0.000 0.283 248 N C -2.413 173.117 175.510 0.032 0.000 1.160 248 N CA -1.459 51.607 53.050 0.026 0.000 0.869 248 N CB 1.935 40.437 38.487 0.024 0.000 1.448 248 N HN -0.198 nan 8.380 nan 0.000 0.535 249 P HA 0.045 nan 4.420 nan 0.000 0.245 249 P C 0.054 177.372 177.300 0.031 0.000 1.206 249 P CA 0.125 63.242 63.100 0.028 0.000 0.781 249 P CB 0.482 32.196 31.700 0.022 0.000 0.994 250 V N 1.147 121.079 119.914 0.031 0.000 2.617 250 V HA 0.255 4.375 4.120 -0.000 0.000 0.304 250 V C 1.848 177.965 176.094 0.038 0.000 1.040 250 V CA 1.778 64.097 62.300 0.032 0.000 1.149 250 V CB -0.486 31.355 31.823 0.029 0.000 0.914 250 V HN 0.515 nan 8.190 nan 0.000 0.487 251 G N 3.915 112.738 108.800 0.038 0.000 2.176 251 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.253 251 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.253 251 G C 1.070 175.993 174.900 0.038 0.000 0.979 251 G CA 0.558 45.684 45.100 0.042 0.000 0.641 251 G HN 0.696 nan 8.290 nan 0.000 0.530 252 S N 0.029 115.750 115.700 0.033 0.000 2.402 252 S HA 0.075 4.545 4.470 -0.000 0.000 0.229 252 S C 2.534 177.145 174.600 0.018 0.000 1.021 252 S CA 1.844 60.060 58.200 0.026 0.000 0.974 252 S CB -0.398 62.816 63.200 0.023 0.000 0.800 252 S HN 1.179 nan 8.310 nan 0.000 0.484 253 G N 1.773 110.585 108.800 0.021 0.000 2.408 253 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.217 253 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.217 253 G C 1.008 175.916 174.900 0.013 0.000 1.150 253 G CA 0.897 46.007 45.100 0.016 0.000 0.776 253 G HN 0.410 nan 8.290 nan 0.000 0.542 254 D N 0.824 121.236 120.400 0.021 0.000 2.144 254 D HA -0.050 4.590 4.640 -0.000 0.000 0.200 254 D C 2.797 179.105 176.300 0.013 0.000 0.978 254 D CA 1.064 55.077 54.000 0.021 0.000 0.833 254 D CB -0.294 40.526 40.800 0.033 0.000 0.961 254 D HN 0.239 nan 8.370 nan 0.000 0.470 255 S N 0.156 115.866 115.700 0.017 0.000 2.368 255 S HA -0.117 4.353 4.470 -0.000 0.000 0.225 255 S C 2.120 176.720 174.600 -0.001 0.000 1.030 255 S CA 1.261 59.468 58.200 0.013 0.000 0.999 255 S CB -0.359 62.853 63.200 0.021 0.000 0.844 255 S HN 0.295 nan 8.310 nan 0.000 0.459 256 T N 2.102 116.650 114.554 -0.009 0.000 2.684 256 T HA -0.075 4.275 4.350 -0.000 0.000 0.267 256 T C 1.925 176.595 174.700 -0.050 0.000 1.036 256 T CA 1.264 63.344 62.100 -0.032 0.000 1.148 256 T CB -0.452 68.396 68.868 -0.034 0.000 0.863 256 T HN 0.178 nan 8.240 nan 0.000 0.436 257 V N 1.632 121.524 119.914 -0.038 0.000 2.332 257 V HA -0.195 3.925 4.120 -0.000 0.000 0.248 257 V C 2.845 178.909 176.094 -0.050 0.000 1.055 257 V CA 1.706 63.978 62.300 -0.047 0.000 1.038 257 V CB -1.175 30.633 31.823 -0.025 0.000 0.651 257 V HN 0.540 nan 8.190 nan 0.000 0.450 258 A N 0.396 123.197 122.820 -0.032 0.000 1.902 258 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 258 A C 2.426 179.983 177.584 -0.045 0.000 1.181 258 A CA 2.007 54.024 52.037 -0.033 0.000 0.623 258 A CB -1.228 17.762 19.000 -0.017 0.000 0.818 258 A HN 0.528 nan 8.150 nan 0.000 0.443 259 G N 0.118 108.896 108.800 -0.036 0.000 2.433 259 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.216 259 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.216 259 G C 1.534 176.382 174.900 -0.087 0.000 1.186 259 G CA 1.157 46.237 45.100 -0.032 0.000 0.779 259 G HN 0.475 nan 8.290 nan 0.000 0.543 260 I N 0.946 121.436 120.570 -0.134 0.000 2.118 260 I HA -0.221 3.949 4.170 -0.000 0.000 0.241 260 I C 3.032 179.042 176.117 -0.180 0.000 1.070 260 I CA 1.770 62.942 61.300 -0.214 0.000 1.327 260 I CB -0.596 37.259 38.000 -0.241 0.000 1.034 260 I HN 0.122 nan 8.210 nan 0.000 0.405 261 T N -0.586 113.890 114.554 -0.129 0.000 2.746 261 T HA -0.199 4.151 4.350 -0.000 0.000 0.267 261 T C 2.079 176.706 174.700 -0.122 0.000 1.039 261 T CA 1.679 63.711 62.100 -0.114 0.000 1.142 261 T CB -0.327 68.489 68.868 -0.086 0.000 0.866 261 T HN 0.367 nan 8.240 nan 0.000 0.444 262 S N 1.271 116.908 115.700 -0.105 0.000 2.359 262 S HA -0.120 4.350 4.470 -0.000 0.000 0.224 262 S C 2.410 176.951 174.600 -0.100 0.000 1.035 262 S CA 1.423 59.564 58.200 -0.098 0.000 1.018 262 S CB -0.599 62.559 63.200 -0.070 0.000 0.876 262 S HN 0.527 nan 8.310 nan 0.000 0.448 263 A N 1.695 124.454 122.820 -0.100 0.000 1.933 263 A HA 0.025 4.345 4.320 -0.000 0.000 0.218 263 A C 2.157 179.670 177.584 -0.117 0.000 1.175 263 A CA 1.440 53.420 52.037 -0.095 0.000 0.628 263 A CB -0.639 18.286 19.000 -0.125 0.000 0.814 263 A HN 0.586 nan 8.150 nan 0.000 0.444 264 I N -0.739 119.742 120.570 -0.149 0.000 2.202 264 I HA -0.190 3.980 4.170 -0.000 0.000 0.242 264 I C 2.458 178.420 176.117 -0.258 0.000 1.091 264 I CA 1.236 62.449 61.300 -0.145 0.000 1.368 264 I CB -1.220 36.712 38.000 -0.113 0.000 1.058 264 I HN 0.369 nan 8.210 nan 0.000 0.410 265 L N 1.420 122.497 121.223 -0.243 0.000 2.081 265 L HA -0.189 4.151 4.340 -0.000 0.000 0.212 265 L C 1.770 178.434 176.870 -0.343 0.000 1.080 265 L CA 1.928 56.586 54.840 -0.304 0.000 0.754 265 L CB -0.609 41.285 42.059 -0.274 0.000 0.893 265 L HN 0.270 nan 8.230 nan 0.000 0.433 266 N N -1.139 117.434 118.700 -0.212 0.000 2.270 266 N HA -0.005 4.735 4.740 -0.000 0.000 0.198 266 N C -0.402 175.099 175.510 -0.014 0.000 1.117 266 N CA 0.186 53.199 53.050 -0.063 0.000 0.845 266 N CB -0.084 38.408 38.487 0.009 0.000 0.980 266 N HN 0.456 nan 8.380 nan 0.000 0.486 267 H N 0.298 119.398 119.070 0.049 0.000 2.626 267 H HA -0.144 4.412 4.556 -0.000 0.000 0.317 267 H C -0.318 175.046 175.328 0.059 0.000 1.140 267 H CA 0.710 56.792 56.048 0.057 0.000 1.134 267 H CB -2.047 27.750 29.762 0.058 0.000 1.486 267 H HN 0.462 nan 8.280 nan 0.000 0.417 268 E N 1.230 121.492 120.200 0.103 0.000 2.373 268 E HA 0.112 4.462 4.350 -0.000 0.000 0.263 268 E C 1.017 177.689 176.600 0.120 0.000 1.073 268 E CA -0.448 56.008 56.400 0.095 0.000 0.894 268 E CB 0.644 30.378 29.700 0.057 0.000 1.008 268 E HN 0.522 nan 8.360 nan 0.000 0.420 269 N N 1.208 119.983 118.700 0.125 0.000 2.317 269 N HA -0.064 4.676 4.740 -0.000 0.000 0.245 269 N C 0.004 175.614 175.510 0.166 0.000 1.294 269 N CA -0.140 53.001 53.050 0.152 0.000 0.924 269 N CB 0.446 39.006 38.487 0.122 0.000 1.186 269 N HN 0.264 nan 8.380 nan 0.000 0.495 270 D N -1.121 119.421 120.400 0.237 0.000 2.104 270 D HA -0.166 4.474 4.640 -0.000 0.000 0.194 270 D C 1.527 177.858 176.300 0.053 0.000 0.994 270 D CA 1.513 55.673 54.000 0.266 0.000 0.830 270 D CB -0.421 40.590 40.800 0.353 0.000 0.959 270 D HN 0.593 nan 8.370 nan 0.000 0.452 271 H N 0.067 119.082 119.070 -0.092 0.000 2.321 271 H HA -0.090 4.466 4.556 -0.000 0.000 0.300 271 H C 1.393 176.657 175.328 -0.107 0.000 1.087 271 H CA 1.128 57.094 56.048 -0.137 0.000 1.319 271 H CB 0.245 29.976 29.762 -0.052 0.000 1.379 271 H HN 0.095 nan 8.280 nan 0.000 0.501 272 D N 0.800 121.283 120.400 0.138 0.000 2.144 272 D HA -0.122 4.518 4.640 -0.000 0.000 0.199 272 D C 2.318 178.671 176.300 0.088 0.000 0.984 272 D CA 0.386 54.498 54.000 0.188 0.000 0.834 272 D CB -0.330 40.603 40.800 0.221 0.000 0.955 272 D HN 0.283 nan 8.370 nan 0.000 0.465 273 L N 0.098 121.302 121.223 -0.032 0.000 2.017 273 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 273 L C 2.195 178.912 176.870 -0.255 0.000 1.073 273 L CA 1.064 55.801 54.840 -0.172 0.000 0.745 273 L CB -0.112 41.752 42.059 -0.325 0.000 0.894 273 L HN 0.004 nan 8.230 nan 0.000 0.432 274 L N -0.388 120.652 121.223 -0.306 0.000 2.093 274 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 274 L C 2.644 179.351 176.870 -0.272 0.000 1.085 274 L CA 1.296 55.944 54.840 -0.321 0.000 0.755 274 L CB -0.423 41.422 42.059 -0.358 0.000 0.904 274 L HN 0.218 nan 8.230 nan 0.000 0.435 275 K N 0.136 120.347 120.400 -0.314 0.000 2.057 275 K HA -0.209 4.111 4.320 -0.000 0.000 0.206 275 K C 2.157 178.591 176.600 -0.275 0.000 1.050 275 K CA 1.217 57.199 56.287 -0.508 0.000 0.935 275 K CB -0.089 31.742 32.500 -1.115 0.000 0.715 275 K HN 0.146 nan 8.250 nan 0.000 0.439 276 K N 1.124 121.556 120.400 0.053 0.000 2.026 276 K HA -0.149 4.171 4.320 -0.000 0.000 0.208 276 K C 2.163 178.807 176.600 0.074 0.000 1.048 276 K CA 1.317 57.755 56.287 0.252 0.000 0.929 276 K CB -0.143 32.537 32.500 0.300 0.000 0.713 276 K HN 0.112 nan 8.250 nan 0.000 0.439 277 A N 1.433 124.228 122.820 -0.043 0.000 1.892 277 A HA -0.241 4.079 4.320 -0.000 0.000 0.218 277 A C 1.786 179.330 177.584 -0.068 0.000 1.188 277 A CA 2.244 54.233 52.037 -0.079 0.000 0.631 277 A CB -0.875 18.030 19.000 -0.157 0.000 0.822 277 A HN 0.514 nan 8.150 nan 0.000 0.447 278 N N -0.887 117.751 118.700 -0.104 0.000 2.216 278 N HA -0.052 4.688 4.740 -0.000 0.000 0.183 278 N C 1.687 177.143 175.510 -0.090 0.000 1.017 278 N CA 1.651 54.643 53.050 -0.098 0.000 0.861 278 N CB -0.439 37.972 38.487 -0.125 0.000 0.986 278 N HN 0.464 nan 8.380 nan 0.000 0.428 279 T N 1.116 115.599 114.554 -0.119 0.000 2.665 279 T HA -0.107 4.243 4.350 -0.000 0.000 0.268 279 T C 1.846 176.521 174.700 -0.042 0.000 1.035 279 T CA 0.937 62.952 62.100 -0.142 0.000 1.151 279 T CB -0.373 68.299 68.868 -0.326 0.000 0.862 279 T HN 0.151 nan 8.240 nan 0.000 0.438 280 L N 0.472 121.715 121.223 0.032 0.000 2.056 280 L HA 0.089 4.429 4.340 -0.000 0.000 0.207 280 L C 2.024 178.908 176.870 0.023 0.000 1.078 280 L CA 0.511 55.388 54.840 0.062 0.000 0.749 280 L CB -1.282 40.824 42.059 0.077 0.000 0.901 280 L HN 0.306 nan 8.230 nan 0.000 0.433 284 N N 1.611 120.337 118.700 0.042 0.000 2.104 284 N HA -0.137 4.603 4.740 -0.000 0.000 0.190 284 N C 1.659 177.208 175.510 0.065 0.000 1.024 284 N CA 1.878 54.967 53.050 0.065 0.000 0.853 284 N CB 0.081 38.601 38.487 0.055 0.000 1.008 284 N HN 0.410 nan 8.380 nan 0.000 0.424 285 A N -0.031 122.815 122.820 0.043 0.000 2.019 285 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 285 A C 1.947 179.556 177.584 0.040 0.000 1.164 285 A CA 1.171 53.230 52.037 0.036 0.000 0.644 285 A CB -0.451 18.562 19.000 0.023 0.000 0.805 285 A HN 0.519 nan 8.150 nan 0.000 0.449 286 Q N -0.294 119.534 119.800 0.047 0.000 2.451 286 Q HA 0.018 4.358 4.340 -0.000 0.000 0.206 286 Q C -0.360 175.680 176.000 0.068 0.000 0.947 286 Q CA 0.375 56.207 55.803 0.049 0.000 0.937 286 Q CB 0.235 29.001 28.738 0.046 0.000 1.025 286 Q HN 0.577 nan 8.270 nan 0.000 0.511 287 E N -0.642 119.612 120.200 0.089 0.000 2.195 287 E HA 0.297 4.647 4.350 -0.000 0.000 0.271 287 E C -0.028 176.611 176.600 0.066 0.000 0.923 287 E CA -0.243 56.225 56.400 0.113 0.000 0.790 287 E CB 1.711 31.553 29.700 0.237 0.000 1.155 287 E HN 0.019 nan 8.360 nan 0.000 0.402 288 A N 3.082 125.920 122.820 0.030 0.000 1.969 288 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 288 A C 1.012 178.594 177.584 -0.002 0.000 1.169 288 A CA 1.022 53.063 52.037 0.007 0.000 0.635 288 A CB -0.092 18.902 19.000 -0.011 0.000 0.810 288 A HN 0.577 nan 8.150 nan 0.000 0.445 289 Q N 0.040 119.824 119.800 -0.027 0.000 2.394 289 Q HA 0.278 4.618 4.340 -0.000 0.000 0.248 289 Q C -0.776 175.256 176.000 0.053 0.000 0.992 289 Q CA 0.161 55.943 55.803 -0.034 0.000 0.888 289 Q CB 0.522 29.151 28.738 -0.183 0.000 1.257 289 Q HN 0.248 nan 8.270 nan 0.000 0.462 290 T N 1.127 115.713 114.554 0.052 0.000 2.743 290 T HA 0.432 4.782 4.350 -0.000 0.000 0.292 290 T C 0.274 175.033 174.700 0.097 0.000 0.972 290 T CA 0.208 62.349 62.100 0.069 0.000 0.967 290 T CB 0.787 69.682 68.868 0.045 0.000 0.926 290 T HN 0.854 nan 8.240 nan 0.000 0.459 291 G N 2.809 111.675 108.800 0.110 0.000 2.341 291 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.278 291 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.278 291 G C -0.534 174.471 174.900 0.174 0.000 1.111 291 G CA -0.344 44.822 45.100 0.110 0.000 0.982 291 G HN 0.788 nan 8.290 nan 0.000 0.502 292 Y N -0.396 119.919 120.300 0.025 0.000 2.441 292 Y HA 0.587 5.137 4.550 -0.000 0.000 0.334 292 Y C -0.264 175.655 175.900 0.031 0.000 1.061 292 Y CA -0.533 57.582 58.100 0.026 0.000 1.032 292 Y CB 2.247 40.721 38.460 0.024 0.000 1.266 292 Y HN 0.979 nan 8.280 nan 0.000 0.441 293 V N 2.720 122.311 119.914 -0.537 0.000 2.841 293 V HA 0.611 4.731 4.120 -0.000 0.000 0.310 293 V C -1.436 174.398 176.094 -0.434 0.000 1.090 293 V CA -0.895 61.219 62.300 -0.309 0.000 0.930 293 V CB 1.963 33.713 31.823 -0.123 0.000 1.014 293 V HN 0.837 nan 8.190 nan 0.000 0.425 294 N N 3.388 121.983 118.700 -0.175 0.000 2.485 294 N HA 0.434 5.174 4.740 -0.000 0.000 0.243 294 N C 0.502 176.000 175.510 -0.020 0.000 0.987 294 N CA -0.567 52.425 53.050 -0.096 0.000 0.940 294 N CB 1.247 39.742 38.487 0.012 0.000 1.122 294 N HN 0.885 nan 8.380 nan 0.000 0.509 295 L N 2.170 123.370 121.223 -0.038 0.000 2.465 295 L HA -0.011 4.329 4.340 -0.000 0.000 0.224 295 L C 1.251 178.146 176.870 0.042 0.000 1.145 295 L CA 0.286 55.132 54.840 0.010 0.000 0.834 295 L CB -0.168 41.843 42.059 -0.081 0.000 0.944 295 L HN 0.474 nan 8.230 nan 0.000 0.451 296 N N 0.659 119.373 118.700 0.024 0.000 2.364 296 N HA -0.125 4.614 4.740 -0.000 0.000 0.183 296 N C 1.028 176.571 175.510 0.055 0.000 1.022 296 N CA 0.920 53.989 53.050 0.032 0.000 0.883 296 N CB -0.129 38.372 38.487 0.023 0.000 0.965 296 N HN 0.411 nan 8.380 nan 0.000 0.438 297 N N -0.462 118.279 118.700 0.069 0.000 2.230 297 N HA -0.019 4.721 4.740 -0.000 0.000 0.202 297 N C 1.091 176.657 175.510 0.093 0.000 1.119 297 N CA -0.185 52.906 53.050 0.067 0.000 0.851 297 N CB -0.080 38.435 38.487 0.047 0.000 0.990 297 N HN 0.341 nan 8.380 nan 0.000 0.497 298 Y N 2.289 122.589 120.300 0.001 0.000 2.089 298 Y HA -0.220 4.330 4.550 -0.000 0.000 0.282 298 Y C 1.604 177.533 175.900 0.047 0.000 1.139 298 Y CA 1.826 59.936 58.100 0.016 0.000 1.123 298 Y CB -0.017 38.430 38.460 -0.022 0.000 0.980 298 Y HN -0.064 nan 8.280 nan 0.000 0.493 299 D N 0.050 120.583 120.400 0.223 0.000 2.116 299 D HA -0.238 4.402 4.640 -0.000 0.000 0.193 299 D C 1.776 178.120 176.300 0.073 0.000 0.998 299 D CA 1.920 55.994 54.000 0.123 0.000 0.836 299 D CB -0.748 40.107 40.800 0.092 0.000 0.951 299 D HN 0.554 nan 8.370 nan 0.000 0.449 300 D N -0.179 120.252 120.400 0.051 0.000 2.149 300 D HA -0.114 4.526 4.640 -0.000 0.000 0.198 300 D C 2.141 178.450 176.300 0.016 0.000 0.990 300 D CA 0.789 54.810 54.000 0.035 0.000 0.839 300 D CB -0.055 40.761 40.800 0.028 0.000 0.948 300 D HN 0.147 nan 8.370 nan 0.000 0.460 301 L N -0.893 120.321 121.223 -0.016 0.000 2.127 301 L HA 0.032 4.372 4.340 -0.000 0.000 0.203 301 L C 2.155 178.982 176.870 -0.071 0.000 1.080 301 L CA 0.336 55.145 54.840 -0.052 0.000 0.768 301 L CB -0.499 41.513 42.059 -0.079 0.000 0.924 301 L HN 0.116 nan 8.230 nan 0.000 0.444 302 F N 1.620 121.400 119.950 -0.284 0.000 2.126 302 F HA -0.253 4.274 4.527 -0.000 0.000 0.299 302 F C 2.260 177.980 175.800 -0.133 0.000 1.096 302 F CA 1.567 59.395 58.000 -0.287 0.000 1.255 302 F CB -0.097 38.651 39.000 -0.419 0.000 0.997 302 F HN 0.138 nan 8.300 nan 0.000 0.479 303 N N 0.333 119.148 118.700 0.192 0.000 2.453 303 N HA -0.135 4.605 4.740 -0.000 0.000 0.183 303 N C 1.278 176.801 175.510 0.021 0.000 1.041 303 N CA 1.009 54.139 53.050 0.132 0.000 0.900 303 N CB -0.284 38.273 38.487 0.117 0.000 0.961 303 N HN 0.576 nan 8.380 nan 0.000 0.443 304 Q N -0.348 119.437 119.800 -0.026 0.000 2.356 304 Q HA 0.244 4.584 4.340 -0.000 0.000 0.205 304 Q C -0.001 175.951 176.000 -0.080 0.000 0.901 304 Q CA -0.044 55.735 55.803 -0.041 0.000 0.938 304 Q CB 0.857 29.576 28.738 -0.032 0.000 1.081 304 Q HN 0.324 nan 8.270 nan 0.000 0.517 305 I N 1.782 122.263 120.570 -0.149 0.000 2.441 305 I HA 0.041 4.211 4.170 -0.000 0.000 0.287 305 I C 0.253 176.275 176.117 -0.159 0.000 1.049 305 I CA -0.037 61.150 61.300 -0.188 0.000 1.381 305 I CB 0.768 38.579 38.000 -0.315 0.000 1.409 305 I HN 0.051 nan 8.210 nan 0.000 0.523 306 E N 6.470 126.601 120.200 -0.115 0.000 2.133 306 E HA 0.453 4.803 4.350 -0.000 0.000 0.274 306 E C -1.604 174.929 176.600 -0.112 0.000 0.930 306 E CA -0.647 55.704 56.400 -0.082 0.000 0.770 306 E CB 1.567 31.247 29.700 -0.034 0.000 1.104 306 E HN 0.369 nan 8.360 nan 0.000 0.403 307 V N 6.468 126.285 119.914 -0.161 0.000 2.357 307 V HA 0.364 4.484 4.120 -0.000 0.000 0.284 307 V C -0.229 175.802 176.094 -0.105 0.000 1.018 307 V CA -0.644 61.500 62.300 -0.260 0.000 0.841 307 V CB 1.042 32.446 31.823 -0.699 0.000 0.991 307 V HN 0.666 nan 8.190 nan 0.000 0.437 308 L N 4.115 125.362 121.223 0.039 0.000 2.341 308 L HA 0.541 4.881 4.340 -0.000 0.000 0.278 308 L C 0.255 177.256 176.870 0.218 0.000 1.005 308 L CA -0.509 54.411 54.840 0.133 0.000 0.818 308 L CB 2.095 44.214 42.059 0.099 0.000 1.259 308 L HN 0.569 nan 8.230 nan 0.000 0.418 309 E N 2.659 122.989 120.200 0.216 0.000 2.257 309 E HA 0.302 4.652 4.350 -0.000 0.000 0.278 309 E C -0.489 176.160 176.600 0.081 0.000 1.049 309 E CA -0.194 56.265 56.400 0.097 0.000 0.876 309 E CB 1.475 31.212 29.700 0.063 0.000 1.035 309 E HN 0.404 nan 8.360 nan 0.000 0.419 310 V N 0.000 119.964 119.914 0.083 0.000 2.409 310 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 310 V CA 0.000 62.367 62.300 0.112 0.000 1.235 310 V CB 0.000 31.910 31.823 0.146 0.000 1.184 310 V HN 0.000 nan 8.190 nan 0.000 0.556