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 2nym_1_C DATA FIRST_RESID 2 DATA SEQUENCE DEKVFTKELD QWIEQLNECK QLSESQVKSL CEKAKEILTK ESNVQEVRCP DATA SEQUENCE VTVCGDVHGQ FHDLMELFRI GGKSPDTNYL FMGDYVDRGY YSVETVTLLV DATA SEQUENCE ALKVRYRERI TILRGNHESR QITQVYGFYD ECLRKYGNAN VWKYFTDLFD DATA SEQUENCE YLPLTALVDG QIFCLHGGLS PSIDTLDHIR ALDRLQEVPH EGPMCDLLWS DATA SEQUENCE DPDDRGGWGI SPRGAGYTFG QDISETFNHA NGLTLVSRAH QLVMEGYNWC DATA SEQUENCE HDRNVVTIFS APNYCYRCGN QAAIMELDDT LKYSFLQFDP APR 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 D HA 0.000 nan 4.640 nan 0.000 0.175 2 D C 0.000 176.290 176.300 -0.017 0.000 2.045 2 D CA 0.000 53.985 54.000 -0.024 0.000 0.868 2 D CB 0.000 40.783 40.800 -0.028 0.000 0.688 3 E N 1.067 121.263 120.200 -0.006 0.000 2.201 3 E HA 0.122 4.472 4.350 -0.000 0.000 0.193 3 E C 0.950 177.558 176.600 0.014 0.000 0.957 3 E CA 0.848 57.251 56.400 0.006 0.000 0.858 3 E CB 0.344 30.046 29.700 0.003 0.000 0.816 3 E HN -0.043 nan 8.360 nan 0.000 0.475 4 K N -0.149 120.251 120.400 0.001 0.000 2.546 4 K HA 0.106 4.426 4.320 -0.000 0.000 0.198 4 K C 0.708 177.305 176.600 -0.006 0.000 1.028 4 K CA 0.093 56.375 56.287 -0.008 0.000 1.150 4 K CB 0.564 33.056 32.500 -0.013 0.000 0.876 4 K HN -0.050 nan 8.250 nan 0.000 0.508 5 V N -0.187 119.736 119.914 0.016 0.000 3.590 5 V HA 0.040 4.160 4.120 -0.000 0.000 0.265 5 V C 0.831 176.985 176.094 0.101 0.000 1.239 5 V CA 0.870 63.184 62.300 0.023 0.000 1.117 5 V CB -0.249 31.573 31.823 -0.001 0.000 0.818 5 V HN 0.291 nan 8.190 nan 0.000 0.451 6 F N 0.555 120.422 119.950 -0.137 0.000 2.463 6 F HA 0.141 4.668 4.527 -0.000 0.000 0.271 6 F C 2.248 177.920 175.800 -0.213 0.000 0.888 6 F CA 1.256 59.141 58.000 -0.191 0.000 1.149 6 F CB -0.261 38.644 39.000 -0.159 0.000 1.071 6 F HN -0.044 nan 8.300 nan 0.000 0.802 7 T N 0.660 115.174 114.554 -0.068 0.000 2.969 7 T HA -0.215 4.135 4.350 -0.000 0.000 0.271 7 T C 1.840 176.419 174.700 -0.202 0.000 1.127 7 T CA 1.489 63.482 62.100 -0.179 0.000 1.102 7 T CB -0.293 68.521 68.868 -0.089 0.000 0.855 7 T HN 0.107 nan 8.240 nan 0.000 0.536 8 K N 0.290 120.589 120.400 -0.169 0.000 2.379 8 K HA 0.116 4.436 4.320 -0.000 0.000 0.194 8 K C 2.104 178.573 176.600 -0.217 0.000 1.031 8 K CA 0.354 56.552 56.287 -0.150 0.000 1.037 8 K CB 0.257 32.702 32.500 -0.091 0.000 0.824 8 K HN 0.346 nan 8.250 nan 0.000 0.516 9 E N 0.170 120.158 120.200 -0.353 0.000 2.201 9 E HA 0.003 4.353 4.350 -0.000 0.000 0.193 9 E C 1.757 177.929 176.600 -0.713 0.000 0.957 9 E CA 0.037 56.125 56.400 -0.520 0.000 0.858 9 E CB 0.238 29.565 29.700 -0.622 0.000 0.816 9 E HN 0.185 nan 8.360 nan 0.000 0.475 10 L N 1.296 122.076 121.223 -0.740 0.000 1.989 10 L HA -0.217 4.123 4.340 -0.000 0.000 0.211 10 L C 1.998 178.723 176.870 -0.241 0.000 1.071 10 L CA 1.658 56.179 54.840 -0.531 0.000 0.749 10 L CB -0.431 41.344 42.059 -0.472 0.000 0.890 10 L HN 0.188 nan 8.230 nan 0.000 0.431 11 D N -0.681 119.577 120.400 -0.237 0.000 2.244 11 D HA -0.271 4.369 4.640 -0.000 0.000 0.197 11 D C 2.128 178.398 176.300 -0.051 0.000 1.006 11 D CA 1.198 55.128 54.000 -0.116 0.000 0.888 11 D CB -0.044 40.698 40.800 -0.098 0.000 0.912 11 D HN 0.297 nan 8.370 nan 0.000 0.452 12 Q N -1.045 118.705 119.800 -0.083 0.000 2.089 12 Q HA -0.084 4.256 4.340 -0.000 0.000 0.195 12 Q C 1.967 178.043 176.000 0.127 0.000 0.963 12 Q CA 0.620 56.420 55.803 -0.005 0.000 0.834 12 Q CB -0.359 28.351 28.738 -0.046 0.000 0.906 12 Q HN 0.338 nan 8.270 nan 0.000 0.452 13 W N 1.521 122.783 121.300 -0.064 0.000 2.305 13 W HA -0.202 4.457 4.660 -0.000 0.000 0.308 13 W C 2.224 178.729 176.519 -0.023 0.000 1.226 13 W CA 0.747 58.065 57.345 -0.045 0.000 1.253 13 W CB -0.946 28.470 29.460 -0.073 0.000 1.146 13 W HN 0.190 nan 8.180 nan 0.000 0.507 14 I N -0.454 120.245 120.570 0.215 0.000 2.113 14 I HA -0.311 3.858 4.170 -0.000 0.000 0.238 14 I C 2.439 178.614 176.117 0.096 0.000 1.070 14 I CA 1.886 63.260 61.300 0.122 0.000 1.332 14 I CB -0.871 37.176 38.000 0.078 0.000 1.044 14 I HN -0.034 nan 8.210 nan 0.000 0.402 15 E N 0.830 121.077 120.200 0.078 0.000 2.086 15 E HA -0.366 3.984 4.350 -0.000 0.000 0.200 15 E C 2.173 178.817 176.600 0.073 0.000 1.012 15 E CA 2.073 58.510 56.400 0.061 0.000 0.812 15 E CB -0.097 29.630 29.700 0.046 0.000 0.743 15 E HN 0.466 nan 8.360 nan 0.000 0.453 16 Q N 0.231 120.086 119.800 0.092 0.000 1.993 16 Q HA -0.171 4.169 4.340 -0.000 0.000 0.202 16 Q C 2.433 178.471 176.000 0.063 0.000 0.984 16 Q CA 1.707 57.558 55.803 0.079 0.000 0.837 16 Q CB -0.171 28.629 28.738 0.103 0.000 0.902 16 Q HN 0.381 nan 8.270 nan 0.000 0.423 17 L N 1.132 122.400 121.223 0.075 0.000 2.261 17 L HA -0.210 4.129 4.340 -0.000 0.000 0.216 17 L C 2.198 179.160 176.870 0.154 0.000 1.114 17 L CA 0.570 55.451 54.840 0.068 0.000 0.777 17 L CB -0.502 41.612 42.059 0.092 0.000 0.910 17 L HN 0.360 nan 8.230 nan 0.000 0.440 18 N N -0.010 118.782 118.700 0.154 0.000 2.216 18 N HA -0.149 4.591 4.740 -0.000 0.000 0.183 18 N C 1.557 177.191 175.510 0.206 0.000 1.017 18 N CA 0.950 54.124 53.050 0.206 0.000 0.861 18 N CB 0.113 38.656 38.487 0.094 0.000 0.986 18 N HN 0.428 nan 8.380 nan 0.000 0.428 19 E N -0.162 120.102 120.200 0.107 0.000 2.516 19 E HA -0.040 4.310 4.350 -0.000 0.000 0.199 19 E C 0.126 176.749 176.600 0.038 0.000 1.069 19 E CA -0.069 56.376 56.400 0.074 0.000 0.876 19 E CB 0.002 29.727 29.700 0.042 0.000 0.843 19 E HN 0.274 nan 8.360 nan 0.000 0.530 20 C N 1.160 120.440 119.300 -0.034 0.000 4.657 20 C HA -0.151 4.309 4.460 -0.000 0.000 0.299 20 C C -0.382 174.470 174.990 -0.230 0.000 1.259 20 C CA 0.277 59.080 59.018 -0.358 0.000 2.148 20 C CB -2.064 25.439 27.740 -0.395 0.000 1.207 20 C HN 0.198 nan 8.230 nan 0.000 0.764 21 K N 1.353 121.679 120.400 -0.124 0.000 2.358 21 K HA 0.431 4.751 4.320 -0.000 0.000 0.260 21 K C 0.361 176.919 176.600 -0.071 0.000 0.956 21 K CA -0.306 55.933 56.287 -0.079 0.000 0.834 21 K CB 1.400 33.883 32.500 -0.028 0.000 1.102 21 K HN 0.734 nan 8.250 nan 0.000 0.431 22 Q N 3.433 123.184 119.800 -0.082 0.000 2.479 22 Q HA 0.119 4.459 4.340 -0.000 0.000 0.267 22 Q C -0.323 175.677 176.000 0.001 0.000 1.071 22 Q CA -0.012 55.770 55.803 -0.035 0.000 0.935 22 Q CB 0.551 29.242 28.738 -0.078 0.000 1.295 22 Q HN 0.435 nan 8.270 nan 0.000 0.476 23 L N 1.282 122.512 121.223 0.012 0.000 2.479 23 L HA 0.254 4.593 4.340 -0.000 0.000 0.249 23 L C 0.663 177.575 176.870 0.070 0.000 1.178 23 L CA -0.681 54.103 54.840 -0.093 0.000 0.811 23 L CB 1.093 42.927 42.059 -0.376 0.000 1.187 23 L HN 0.929 nan 8.230 nan 0.000 0.480 24 S N -1.452 114.254 115.700 0.010 0.000 2.616 24 S HA 0.116 4.585 4.470 -0.000 0.000 0.277 24 S C 0.737 175.330 174.600 -0.012 0.000 1.234 24 S CA -0.672 57.590 58.200 0.104 0.000 1.028 24 S CB 1.711 64.950 63.200 0.066 0.000 0.988 24 S HN 0.715 nan 8.310 nan 0.000 0.522 25 E N 1.257 121.434 120.200 -0.038 0.000 2.108 25 E HA -0.252 4.098 4.350 -0.000 0.000 0.203 25 E C 1.980 178.532 176.600 -0.081 0.000 1.022 25 E CA 1.762 58.036 56.400 -0.209 0.000 0.823 25 E CB -0.395 29.225 29.700 -0.133 0.000 0.744 25 E HN 0.780 nan 8.360 nan 0.000 0.456 26 S N -0.336 115.348 115.700 -0.026 0.000 2.400 26 S HA -0.233 4.237 4.470 -0.000 0.000 0.232 26 S C 1.876 176.450 174.600 -0.043 0.000 1.025 26 S CA 1.752 59.944 58.200 -0.012 0.000 0.993 26 S CB -0.095 63.121 63.200 0.027 0.000 0.808 26 S HN 0.328 nan 8.310 nan 0.000 0.478 27 Q N -0.137 119.610 119.800 -0.087 0.000 2.062 27 Q HA 0.016 4.356 4.340 -0.000 0.000 0.196 27 Q C 2.363 178.134 176.000 -0.381 0.000 0.967 27 Q CA 1.387 57.064 55.803 -0.210 0.000 0.832 27 Q CB -0.368 28.131 28.738 -0.397 0.000 0.899 27 Q HN 0.427 nan 8.270 nan 0.000 0.442 28 V N 2.005 121.704 119.914 -0.357 0.000 2.231 28 V HA -0.380 3.739 4.120 -0.000 0.000 0.250 28 V C 2.367 178.219 176.094 -0.403 0.000 1.058 28 V CA 2.358 64.418 62.300 -0.400 0.000 1.022 28 V CB -0.651 30.948 31.823 -0.374 0.000 0.640 28 V HN 0.373 nan 8.190 nan 0.000 0.445 29 K N -0.258 119.917 120.400 -0.375 0.000 2.034 29 K HA -0.241 4.079 4.320 -0.000 0.000 0.214 29 K C 2.377 178.755 176.600 -0.369 0.000 1.051 29 K CA 2.206 58.111 56.287 -0.638 0.000 0.931 29 K CB -0.348 31.619 32.500 -0.889 0.000 0.715 29 K HN 0.451 nan 8.250 nan 0.000 0.446 30 S N 1.002 116.589 115.700 -0.189 0.000 2.353 30 S HA -0.171 4.299 4.470 -0.000 0.000 0.222 30 S C 1.765 176.410 174.600 0.074 0.000 1.035 30 S CA 1.369 59.575 58.200 0.010 0.000 1.025 30 S CB -0.438 62.904 63.200 0.235 0.000 0.902 30 S HN 0.344 nan 8.310 nan 0.000 0.440 31 L N 1.731 122.952 121.223 -0.002 0.000 1.990 31 L HA -0.177 4.163 4.340 -0.000 0.000 0.213 31 L C 2.349 179.200 176.870 -0.032 0.000 1.072 31 L CA 1.802 56.662 54.840 0.032 0.000 0.755 31 L CB -1.191 40.728 42.059 -0.234 0.000 0.889 31 L HN 0.377 nan 8.230 nan 0.000 0.432 32 C N -0.320 118.870 119.300 -0.184 0.000 2.413 32 C HA -0.145 4.315 4.460 -0.000 0.000 0.276 32 C C 2.620 177.521 174.990 -0.147 0.000 1.236 32 C CA 0.749 59.650 59.018 -0.194 0.000 1.735 32 C CB -1.057 26.482 27.740 -0.334 0.000 2.031 32 C HN 0.594 nan 8.230 nan 0.000 0.474 33 E N 1.171 121.278 120.200 -0.155 0.000 2.021 33 E HA -0.189 4.160 4.350 -0.000 0.000 0.200 33 E C 2.183 178.736 176.600 -0.080 0.000 1.015 33 E CA 1.071 57.387 56.400 -0.139 0.000 0.824 33 E CB -0.654 28.972 29.700 -0.123 0.000 0.762 33 E HN 0.458 nan 8.360 nan 0.000 0.454 34 K N 0.493 120.899 120.400 0.010 0.000 2.097 34 K HA -0.198 4.122 4.320 -0.000 0.000 0.214 34 K C 2.006 178.625 176.600 0.031 0.000 1.052 34 K CA 1.504 57.835 56.287 0.073 0.000 0.932 34 K CB -0.558 32.086 32.500 0.241 0.000 0.716 34 K HN 0.167 nan 8.250 nan 0.000 0.455 35 A N 1.200 124.029 122.820 0.016 0.000 1.902 35 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 35 A C 2.128 179.685 177.584 -0.045 0.000 1.181 35 A CA 1.768 53.812 52.037 0.011 0.000 0.623 35 A CB -0.304 18.713 19.000 0.029 0.000 0.818 35 A HN 0.328 nan 8.150 nan 0.000 0.443 36 K N -0.256 120.054 120.400 -0.149 0.000 1.969 36 K HA -0.205 4.115 4.320 -0.000 0.000 0.216 36 K C 1.913 178.386 176.600 -0.211 0.000 1.048 36 K CA 1.789 57.874 56.287 -0.337 0.000 0.948 36 K CB -0.414 31.761 32.500 -0.540 0.000 0.726 36 K HN 0.614 nan 8.250 nan 0.000 0.442 37 E N 0.654 120.766 120.200 -0.147 0.000 2.164 37 E HA -0.256 4.094 4.350 -0.000 0.000 0.206 37 E C 1.994 178.584 176.600 -0.016 0.000 1.032 37 E CA 1.713 58.073 56.400 -0.067 0.000 0.832 37 E CB -0.432 29.242 29.700 -0.044 0.000 0.742 37 E HN 0.393 nan 8.360 nan 0.000 0.460 38 I N 0.362 120.930 120.570 -0.002 0.000 2.439 38 I HA -0.193 3.977 4.170 -0.000 0.000 0.251 38 I C 2.211 178.363 176.117 0.057 0.000 1.139 38 I CA 0.779 62.099 61.300 0.033 0.000 1.438 38 I CB -0.149 37.877 38.000 0.044 0.000 1.085 38 I HN 0.074 nan 8.210 nan 0.000 0.427 39 L N -0.014 121.245 121.223 0.060 0.000 2.307 39 L HA -0.042 4.298 4.340 -0.000 0.000 0.211 39 L C 2.538 179.502 176.870 0.156 0.000 1.099 39 L CA 0.746 55.657 54.840 0.119 0.000 0.816 39 L CB -0.631 41.523 42.059 0.160 0.000 0.952 39 L HN 0.182 nan 8.230 nan 0.000 0.455 40 T N -0.031 114.609 114.554 0.142 0.000 2.684 40 T HA -0.228 4.122 4.350 -0.000 0.000 0.267 40 T C 1.833 176.612 174.700 0.132 0.000 1.036 40 T CA 1.385 63.600 62.100 0.191 0.000 1.148 40 T CB -0.148 68.809 68.868 0.148 0.000 0.863 40 T HN 0.273 nan 8.240 nan 0.000 0.436 41 K N 1.084 121.540 120.400 0.095 0.000 2.211 41 K HA -0.034 4.286 4.320 -0.000 0.000 0.204 41 K C 0.892 177.542 176.600 0.084 0.000 1.047 41 K CA 0.760 57.094 56.287 0.079 0.000 0.935 41 K CB -0.050 32.487 32.500 0.062 0.000 0.728 41 K HN 0.569 nan 8.250 nan 0.000 0.452 42 E N 1.262 121.520 120.200 0.097 0.000 2.390 42 E HA 0.021 4.371 4.350 -0.000 0.000 0.261 42 E C 0.186 176.845 176.600 0.098 0.000 1.076 42 E CA -0.323 56.135 56.400 0.096 0.000 0.905 42 E CB 1.064 30.828 29.700 0.106 0.000 0.984 42 E HN 0.153 nan 8.360 nan 0.000 0.427 43 S N 1.745 117.500 115.700 0.092 0.000 2.652 43 S HA 0.094 4.564 4.470 -0.000 0.000 0.267 43 S C 0.628 175.288 174.600 0.101 0.000 1.201 43 S CA -0.458 57.797 58.200 0.092 0.000 0.996 43 S CB 0.519 63.772 63.200 0.088 0.000 1.054 43 S HN 0.463 nan 8.310 nan 0.000 0.561 44 N N -0.937 117.825 118.700 0.104 0.000 2.416 44 N HA 0.150 4.889 4.740 -0.000 0.000 0.177 44 N C -0.516 175.074 175.510 0.133 0.000 1.036 44 N CA 0.347 53.464 53.050 0.112 0.000 0.901 44 N CB 0.106 38.660 38.487 0.112 0.000 0.976 44 N HN 0.334 nan 8.380 nan 0.000 0.444 45 V N 1.634 121.634 119.914 0.142 0.000 2.276 45 V HA 0.196 4.316 4.120 -0.000 0.000 0.268 45 V C -0.469 175.707 176.094 0.137 0.000 1.032 45 V CA -0.680 61.725 62.300 0.176 0.000 0.810 45 V CB 0.877 32.827 31.823 0.213 0.000 1.060 45 V HN 0.084 nan 8.190 nan 0.000 0.446 46 Q N 3.031 122.902 119.800 0.118 0.000 2.297 46 Q HA 0.127 4.467 4.340 -0.000 0.000 0.267 46 Q C 0.034 176.093 176.000 0.099 0.000 1.006 46 Q CA 0.624 56.488 55.803 0.101 0.000 0.896 46 Q CB 0.683 29.479 28.738 0.096 0.000 1.186 46 Q HN 0.748 nan 8.270 nan 0.000 0.392 47 E N 3.351 123.604 120.200 0.089 0.000 2.035 47 E HA 0.404 4.754 4.350 -0.000 0.000 0.271 47 E C -1.418 175.222 176.600 0.067 0.000 0.953 47 E CA -0.518 55.931 56.400 0.081 0.000 0.777 47 E CB 0.649 30.393 29.700 0.073 0.000 1.104 47 E HN 0.426 nan 8.360 nan 0.000 0.408 48 V N 5.559 125.512 119.914 0.064 0.000 2.555 48 V HA 0.383 4.503 4.120 -0.000 0.000 0.302 48 V C 0.154 176.273 176.094 0.042 0.000 1.038 48 V CA -0.853 61.479 62.300 0.054 0.000 0.887 48 V CB 1.716 33.573 31.823 0.057 0.000 0.991 48 V HN 0.698 nan 8.190 nan 0.000 0.434 49 R N 3.064 123.584 120.500 0.034 0.000 2.615 49 R HA 0.516 4.856 4.340 -0.000 0.000 0.270 49 R C 0.168 176.476 176.300 0.012 0.000 1.081 49 R CA -0.541 55.573 56.100 0.024 0.000 1.154 49 R CB 0.308 30.621 30.300 0.022 0.000 1.063 49 R HN 0.762 nan 8.270 nan 0.000 0.519 50 C N 0.281 119.585 119.300 0.006 0.000 2.580 50 C HA 0.590 5.050 4.460 -0.000 0.000 0.371 50 C C -1.521 173.460 174.990 -0.014 0.000 1.308 50 C CA -1.552 57.461 59.018 -0.008 0.000 2.428 50 C CB 0.333 28.071 27.740 -0.003 0.000 2.529 50 C HN 0.758 nan 8.230 nan 0.000 0.657 51 P HA 0.612 nan 4.420 nan 0.000 0.278 51 P C -0.609 176.649 177.300 -0.070 0.000 1.266 51 P CA 0.021 63.091 63.100 -0.049 0.000 0.807 51 P CB 1.383 33.048 31.700 -0.058 0.000 1.094 52 V N -4.395 115.457 119.914 -0.103 0.000 3.279 52 V HA 0.632 4.752 4.120 -0.000 0.000 0.296 52 V C -1.116 174.845 176.094 -0.221 0.000 1.470 52 V CA -0.752 61.459 62.300 -0.148 0.000 1.065 52 V CB 1.340 33.105 31.823 -0.098 0.000 1.124 52 V HN 0.525 nan 8.190 nan 0.000 0.461 53 T N 1.123 115.484 114.554 -0.320 0.000 2.864 53 T HA 0.610 4.959 4.350 -0.000 0.000 0.299 53 T C -0.607 173.926 174.700 -0.279 0.000 1.011 53 T CA -0.312 61.563 62.100 -0.374 0.000 0.975 53 T CB 1.273 69.738 68.868 -0.672 0.000 0.962 53 T HN 0.788 nan 8.240 nan 0.000 0.448 54 V N 3.571 123.360 119.914 -0.207 0.000 2.432 54 V HA 0.318 4.438 4.120 -0.000 0.000 0.271 54 V C 0.255 176.250 176.094 -0.166 0.000 1.046 54 V CA -0.453 61.747 62.300 -0.167 0.000 0.945 54 V CB 0.429 32.181 31.823 -0.119 0.000 0.992 54 V HN 1.022 nan 8.190 nan 0.000 0.471 55 C N 3.966 123.129 119.300 -0.230 0.000 2.529 55 C HA 0.884 5.344 4.460 -0.000 0.000 0.329 55 C C 1.184 176.142 174.990 -0.054 0.000 1.194 55 C CA -0.186 58.721 59.018 -0.185 0.000 1.779 55 C CB 1.305 28.780 27.740 -0.441 0.000 2.322 55 C HN 1.015 nan 8.230 nan 0.000 0.500 56 G N 0.436 109.215 108.800 -0.035 0.000 3.392 56 G HA2 0.370 4.330 3.960 -0.000 0.000 0.188 56 G HA3 0.370 4.330 3.960 -0.000 0.000 0.188 56 G C -0.937 173.889 174.900 -0.123 0.000 1.485 56 G CA -0.050 45.013 45.100 -0.061 0.000 0.943 56 G HN 0.695 nan 8.290 nan 0.000 0.627 57 D N -0.410 119.765 120.400 -0.375 0.000 2.389 57 D HA 0.376 5.015 4.640 -0.000 0.000 0.247 57 D C 0.935 176.868 176.300 -0.611 0.000 1.128 57 D CA -0.023 53.591 54.000 -0.643 0.000 0.884 57 D CB 2.078 42.263 40.800 -1.025 0.000 1.194 57 D HN -0.030 nan 8.370 nan 0.000 0.441 58 V N 1.982 121.614 119.914 -0.471 0.000 3.484 58 V HA -0.043 4.077 4.120 -0.000 0.000 0.252 58 V C 0.238 176.257 176.094 -0.125 0.000 1.282 58 V CA -0.175 61.989 62.300 -0.226 0.000 1.104 58 V CB -0.485 31.280 31.823 -0.097 0.000 0.868 58 V HN 0.700 nan 8.190 nan 0.000 0.457 59 H N 1.364 120.361 119.070 -0.122 0.000 2.284 59 H HA -0.209 4.347 4.556 -0.000 0.000 0.322 59 H C 1.714 177.039 175.328 -0.006 0.000 0.973 59 H CA 1.068 57.070 56.048 -0.078 0.000 1.076 59 H CB -1.440 28.341 29.762 0.032 0.000 1.596 59 H HN 0.709 nan 8.280 nan 0.000 0.361 60 G N 1.132 110.002 108.800 0.116 0.000 2.225 60 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.272 60 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.272 60 G C 0.630 175.695 174.900 0.275 0.000 0.996 60 G CA 0.731 45.936 45.100 0.175 0.000 0.710 60 G HN 0.661 nan 8.290 nan 0.000 0.522 61 Q N -0.448 119.498 119.800 0.244 0.000 3.184 61 Q HA 0.343 4.683 4.340 -0.000 0.000 0.288 61 Q C 1.325 177.486 176.000 0.268 0.000 1.412 61 Q CA -0.551 55.469 55.803 0.362 0.000 0.991 61 Q CB -0.162 28.781 28.738 0.342 0.000 1.688 61 Q HN 0.499 nan 8.270 nan 0.000 0.554 62 F N 1.596 121.599 119.950 0.089 0.000 2.039 62 F HA -0.380 4.147 4.527 -0.000 0.000 0.296 62 F C 1.810 177.611 175.800 0.001 0.000 1.119 62 F CA 2.326 60.293 58.000 -0.055 0.000 1.211 62 F CB -0.127 38.697 39.000 -0.294 0.000 0.956 62 F HN 0.548 nan 8.300 nan 0.000 0.496 63 H N -1.105 117.984 119.070 0.031 0.000 2.352 63 H HA -0.184 4.372 4.556 -0.000 0.000 0.299 63 H C 1.630 176.888 175.328 -0.116 0.000 1.097 63 H CA 0.994 56.991 56.048 -0.085 0.000 1.311 63 H CB -0.256 29.520 29.762 0.023 0.000 1.377 63 H HN 0.290 nan 8.280 nan 0.000 0.504 64 D N 0.466 120.939 120.400 0.122 0.000 2.350 64 D HA -0.089 4.551 4.640 -0.000 0.000 0.216 64 D C 2.039 178.303 176.300 -0.060 0.000 0.968 64 D CA 0.285 54.335 54.000 0.083 0.000 0.894 64 D CB -0.062 40.883 40.800 0.241 0.000 0.909 64 D HN 0.275 nan 8.370 nan 0.000 0.520 65 L N -0.038 121.099 121.223 -0.144 0.000 2.068 65 L HA -0.060 4.280 4.340 -0.000 0.000 0.204 65 L C 1.959 178.610 176.870 -0.364 0.000 1.076 65 L CA 1.261 55.937 54.840 -0.274 0.000 0.753 65 L CB -0.388 41.499 42.059 -0.287 0.000 0.910 65 L HN -0.162 nan 8.230 nan 0.000 0.439 66 M N -0.193 119.231 119.600 -0.293 0.000 2.089 66 M HA -0.277 4.203 4.480 -0.000 0.000 0.257 66 M C 2.300 178.512 176.300 -0.147 0.000 1.071 66 M CA 2.120 57.341 55.300 -0.131 0.000 1.096 66 M CB -1.348 31.135 32.600 -0.194 0.000 1.330 66 M HN 0.437 nan 8.290 nan 0.000 0.403 67 E N 0.836 120.882 120.200 -0.256 0.000 2.070 67 E HA -0.206 4.144 4.350 -0.000 0.000 0.197 67 E C 2.043 178.287 176.600 -0.594 0.000 1.004 67 E CA 1.532 57.704 56.400 -0.380 0.000 0.805 67 E CB -0.526 28.908 29.700 -0.443 0.000 0.744 67 E HN 0.495 nan 8.360 nan 0.000 0.451 68 L N -0.473 120.269 121.223 -0.801 0.000 2.010 68 L HA -0.260 4.080 4.340 -0.000 0.000 0.219 68 L C 2.123 178.779 176.870 -0.358 0.000 1.077 68 L CA 1.987 56.394 54.840 -0.723 0.000 0.773 68 L CB -0.403 41.355 42.059 -0.502 0.000 0.892 68 L HN 0.191 nan 8.230 nan 0.000 0.436 69 F N 0.139 120.004 119.950 -0.141 0.000 2.216 69 F HA -0.134 4.393 4.527 -0.000 0.000 0.300 69 F C 2.665 178.432 175.800 -0.055 0.000 1.085 69 F CA 1.039 59.011 58.000 -0.047 0.000 1.326 69 F CB -0.648 38.292 39.000 -0.099 0.000 1.027 69 F HN 0.039 nan 8.300 nan 0.000 0.497 70 R N -0.343 120.180 120.500 0.039 0.000 2.237 70 R HA -0.092 4.248 4.340 -0.000 0.000 0.219 70 R C 1.712 177.998 176.300 -0.023 0.000 1.080 70 R CA 0.898 56.992 56.100 -0.009 0.000 0.995 70 R CB -0.431 29.828 30.300 -0.069 0.000 0.875 70 R HN 0.329 nan 8.270 nan 0.000 0.462 71 I N -1.412 119.129 120.570 -0.048 0.000 2.962 71 I HA 0.035 4.205 4.170 -0.000 0.000 0.246 71 I C 2.257 178.397 176.117 0.038 0.000 1.091 71 I CA 1.099 62.391 61.300 -0.014 0.000 1.469 71 I CB -0.701 37.284 38.000 -0.026 0.000 1.324 71 I HN 0.035 nan 8.210 nan 0.000 0.461 72 G N -0.124 108.723 108.800 0.080 0.000 2.776 72 G HA2 0.380 4.340 3.960 -0.000 0.000 0.209 72 G HA3 0.380 4.340 3.960 -0.000 0.000 0.209 72 G C 0.817 175.769 174.900 0.087 0.000 1.145 72 G CA 0.646 45.785 45.100 0.065 0.000 0.791 72 G HN 0.765 nan 8.290 nan 0.000 0.530 73 G N -0.318 108.579 108.800 0.161 0.000 2.566 73 G HA2 0.029 3.989 3.960 -0.000 0.000 0.599 73 G HA3 0.029 3.989 3.960 -0.000 0.000 0.599 73 G C -0.522 174.541 174.900 0.273 0.000 1.292 73 G CA -0.376 44.808 45.100 0.139 0.000 0.922 73 G HN 0.856 nan 8.290 nan 0.000 0.514 74 K N -0.840 119.648 120.400 0.147 0.000 2.324 74 K HA 0.775 5.095 4.320 -0.000 0.000 0.253 74 K C -0.139 176.469 176.600 0.014 0.000 0.932 74 K CA -0.681 55.643 56.287 0.062 0.000 0.799 74 K CB 2.248 34.702 32.500 -0.077 0.000 1.154 74 K HN 0.514 nan 8.250 nan 0.000 0.425 75 S N 2.386 118.057 115.700 -0.049 0.000 2.576 75 S HA 0.139 4.609 4.470 -0.000 0.000 0.276 75 S C -1.228 173.173 174.600 -0.330 0.000 1.339 75 S CA -1.360 56.789 58.200 -0.085 0.000 1.039 75 S CB 0.566 63.764 63.200 -0.004 0.000 0.902 75 S HN 0.644 nan 8.310 nan 0.000 0.516 76 P HA 0.040 nan 4.420 nan 0.000 0.240 76 P C 0.340 177.506 177.300 -0.223 0.000 1.190 76 P CA 0.347 63.143 63.100 -0.506 0.000 0.781 76 P CB 0.123 31.238 31.700 -0.975 0.000 0.931 77 D N 0.369 120.658 120.400 -0.184 0.000 2.280 77 D HA -0.098 4.542 4.640 -0.000 0.000 0.206 77 D C 0.836 177.099 176.300 -0.061 0.000 0.988 77 D CA 1.390 55.330 54.000 -0.100 0.000 0.886 77 D CB -0.034 40.721 40.800 -0.076 0.000 0.914 77 D HN 0.280 nan 8.370 nan 0.000 0.473 78 T N 0.217 114.753 114.554 -0.030 0.000 2.991 78 T HA 0.188 4.538 4.350 -0.000 0.000 0.303 78 T C -0.822 173.849 174.700 -0.048 0.000 1.015 78 T CA -1.039 61.026 62.100 -0.059 0.000 1.007 78 T CB 0.941 69.759 68.868 -0.083 0.000 1.034 78 T HN -0.202 nan 8.240 nan 0.000 0.446 79 N N 3.630 122.263 118.700 -0.111 0.000 2.508 79 N HA 0.337 5.077 4.740 -0.000 0.000 0.264 79 N C -0.981 174.401 175.510 -0.213 0.000 1.216 79 N CA 0.136 53.152 53.050 -0.057 0.000 0.943 79 N CB 0.507 38.966 38.487 -0.047 0.000 1.113 79 N HN 0.592 nan 8.380 nan 0.000 0.447 80 Y N -0.208 120.086 120.300 -0.010 0.000 2.665 80 Y HA 0.630 5.179 4.550 -0.000 0.000 0.336 80 Y C -0.253 175.587 175.900 -0.101 0.000 1.085 80 Y CA -1.066 56.972 58.100 -0.104 0.000 1.096 80 Y CB 1.965 40.364 38.460 -0.102 0.000 1.301 80 Y HN 0.336 nan 8.280 nan 0.000 0.493 81 L N 1.832 123.023 121.223 -0.054 0.000 2.753 81 L HA 0.491 4.830 4.340 -0.000 0.000 0.259 81 L C -2.278 174.511 176.870 -0.135 0.000 0.958 81 L CA -0.130 54.701 54.840 -0.015 0.000 0.955 81 L CB 0.468 42.522 42.059 -0.007 0.000 1.317 81 L HN 0.463 nan 8.230 nan 0.000 0.436 82 F N 4.603 124.630 119.950 0.128 0.000 2.425 82 F HA 0.562 5.088 4.527 -0.000 0.000 0.331 82 F C 0.632 176.499 175.800 0.110 0.000 1.085 82 F CA -0.569 57.510 58.000 0.132 0.000 1.028 82 F CB 1.878 41.009 39.000 0.217 0.000 1.177 82 F HN 0.314 nan 8.300 nan 0.000 0.487 83 M N 3.021 122.747 119.600 0.210 0.000 3.106 83 M HA 0.400 4.880 4.480 -0.000 0.000 0.213 83 M C 0.434 176.693 176.300 -0.069 0.000 1.117 83 M CA -0.284 55.056 55.300 0.068 0.000 0.900 83 M CB 0.239 32.855 32.600 0.028 0.000 1.339 83 M HN 0.894 nan 8.290 nan 0.000 0.542 84 G N 0.613 109.205 108.800 -0.347 0.000 2.598 84 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.244 84 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.244 84 G C -0.321 173.831 174.900 -1.246 0.000 1.302 84 G CA -0.227 44.248 45.100 -1.042 0.000 0.903 84 G HN 0.668 nan 8.290 nan 0.000 0.575 85 D N -1.416 118.299 120.400 -1.142 0.000 2.740 85 D HA -0.151 4.489 4.640 -0.000 0.000 0.231 85 D C 0.913 176.726 176.300 -0.812 0.000 1.194 85 D CA 1.659 55.124 54.000 -0.892 0.000 0.673 85 D CB -0.926 39.387 40.800 -0.812 0.000 0.995 85 D HN 0.609 nan 8.370 nan 0.000 0.411 86 Y N -1.249 118.776 120.300 -0.457 0.000 2.269 86 Y HA 0.066 4.616 4.550 -0.000 0.000 0.294 86 Y C 1.882 177.603 175.900 -0.299 0.000 1.120 86 Y CA 0.648 58.516 58.100 -0.385 0.000 1.159 86 Y CB -0.562 37.670 38.460 -0.380 0.000 1.024 86 Y HN 0.216 nan 8.280 nan 0.000 0.532 87 V N -2.304 117.498 119.914 -0.187 0.000 3.369 87 V HA 0.428 4.548 4.120 -0.000 0.000 0.309 87 V C -0.125 175.987 176.094 0.031 0.000 1.069 87 V CA -1.388 60.814 62.300 -0.162 0.000 1.042 87 V CB 1.099 32.617 31.823 -0.509 0.000 1.192 87 V HN 0.343 nan 8.190 nan 0.000 0.447 88 D N -0.349 120.128 120.400 0.128 0.000 10.737 88 D HA -0.116 4.524 4.640 -0.000 0.000 0.342 88 D C 0.776 177.058 176.300 -0.030 0.000 3.138 88 D CA 0.714 54.789 54.000 0.124 0.000 2.684 88 D CB -0.049 40.811 40.800 0.100 0.000 1.221 88 D HN 0.966 nan 8.370 nan 0.000 0.944 89 R N -1.467 119.001 120.500 -0.053 0.000 1.196 89 R HA -0.207 4.133 4.340 -0.000 0.000 0.018 89 R C 1.206 177.410 176.300 -0.160 0.000 0.961 89 R CA 2.245 58.227 56.100 -0.197 0.000 1.985 89 R CB -2.199 27.838 30.300 -0.438 0.000 0.134 89 R HN 0.735 nan 8.270 nan 0.000 0.731 90 G N -0.451 108.280 108.800 -0.115 0.000 2.785 90 G HA2 0.051 4.011 3.960 -0.000 0.000 0.256 90 G HA3 0.051 4.011 3.960 -0.000 0.000 0.256 90 G C 0.328 175.315 174.900 0.146 0.000 1.248 90 G CA 0.576 45.632 45.100 -0.073 0.000 0.914 90 G HN 0.445 nan 8.290 nan 0.000 0.580 91 Y N -1.135 119.244 120.300 0.132 0.000 2.458 91 Y HA 0.306 4.856 4.550 -0.000 0.000 0.254 91 Y C 0.414 176.160 175.900 -0.256 0.000 1.120 91 Y CA -0.250 57.814 58.100 -0.061 0.000 1.282 91 Y CB 0.446 38.834 38.460 -0.120 0.000 1.109 91 Y HN 0.402 nan 8.280 nan 0.000 0.526 92 Y N -1.025 119.318 120.300 0.071 0.000 2.577 92 Y HA 0.313 4.863 4.550 -0.000 0.000 0.307 92 Y C 1.588 177.505 175.900 0.028 0.000 0.940 92 Y CA -0.547 57.514 58.100 -0.065 0.000 1.132 92 Y CB 0.075 38.466 38.460 -0.114 0.000 1.184 92 Y HN -0.154 nan 8.280 nan 0.000 0.611 93 S N -0.076 115.739 115.700 0.192 0.000 2.398 93 S HA -0.232 4.238 4.470 -0.000 0.000 0.220 93 S C 2.188 176.882 174.600 0.157 0.000 1.038 93 S CA 1.948 60.257 58.200 0.181 0.000 1.080 93 S CB -0.535 62.848 63.200 0.306 0.000 1.039 93 S HN 0.364 nan 8.310 nan 0.000 0.419 94 V N 2.034 122.123 119.914 0.291 0.000 2.241 94 V HA -0.375 3.744 4.120 -0.000 0.000 0.256 94 V C 2.370 178.533 176.094 0.114 0.000 1.060 94 V CA 2.579 65.042 62.300 0.272 0.000 1.065 94 V CB -1.273 30.691 31.823 0.235 0.000 0.685 94 V HN 0.439 nan 8.190 nan 0.000 0.467 95 E N -0.088 120.142 120.200 0.051 0.000 2.108 95 E HA -0.244 4.106 4.350 -0.000 0.000 0.203 95 E C 2.199 178.844 176.600 0.074 0.000 1.022 95 E CA 2.326 58.695 56.400 -0.052 0.000 0.823 95 E CB -0.808 28.677 29.700 -0.358 0.000 0.744 95 E HN 0.729 nan 8.360 nan 0.000 0.456 96 T N 0.095 114.755 114.554 0.176 0.000 2.622 96 T HA -0.182 4.168 4.350 -0.000 0.000 0.266 96 T C 1.957 176.648 174.700 -0.015 0.000 1.047 96 T CA 1.523 63.751 62.100 0.213 0.000 1.159 96 T CB -0.614 68.359 68.868 0.175 0.000 0.863 96 T HN 0.133 nan 8.240 nan 0.000 0.422 97 V N 1.033 120.870 119.914 -0.129 0.000 2.270 97 V HA -0.197 3.923 4.120 -0.000 0.000 0.245 97 V C 2.486 178.481 176.094 -0.165 0.000 1.043 97 V CA 2.586 64.720 62.300 -0.277 0.000 1.014 97 V CB -1.181 30.349 31.823 -0.487 0.000 0.645 97 V HN 0.566 nan 8.190 nan 0.000 0.447 98 T N 1.064 115.579 114.554 -0.064 0.000 2.721 98 T HA -0.235 4.115 4.350 -0.000 0.000 0.268 98 T C 1.681 176.446 174.700 0.108 0.000 1.038 98 T CA 2.244 64.477 62.100 0.222 0.000 1.145 98 T CB -0.443 68.567 68.868 0.236 0.000 0.858 98 T HN 0.426 nan 8.240 nan 0.000 0.459 99 L N 0.787 122.045 121.223 0.059 0.000 1.993 99 L HA 0.145 4.485 4.340 -0.000 0.000 0.206 99 L C 2.226 179.087 176.870 -0.016 0.000 1.074 99 L CA 1.538 56.412 54.840 0.057 0.000 0.746 99 L CB -1.089 41.056 42.059 0.143 0.000 0.896 99 L HN 0.235 nan 8.230 nan 0.000 0.435 100 L N -1.151 119.996 121.223 -0.127 0.000 2.043 100 L HA -0.274 4.066 4.340 -0.000 0.000 0.212 100 L C 2.460 179.242 176.870 -0.146 0.000 1.075 100 L CA 1.394 56.083 54.840 -0.252 0.000 0.752 100 L CB -0.726 40.962 42.059 -0.618 0.000 0.891 100 L HN 0.189 nan 8.230 nan 0.000 0.432 101 V N -0.112 119.755 119.914 -0.079 0.000 2.237 101 V HA -0.324 3.796 4.120 -0.000 0.000 0.245 101 V C 2.777 178.900 176.094 0.049 0.000 1.046 101 V CA 1.816 64.133 62.300 0.028 0.000 1.007 101 V CB -0.976 30.943 31.823 0.159 0.000 0.638 101 V HN 0.516 nan 8.190 nan 0.000 0.445 102 A N -0.067 122.792 122.820 0.064 0.000 1.915 102 A HA -0.301 4.019 4.320 -0.000 0.000 0.220 102 A C 2.185 179.797 177.584 0.045 0.000 1.198 102 A CA 2.556 54.642 52.037 0.082 0.000 0.647 102 A CB -0.813 18.246 19.000 0.099 0.000 0.825 102 A HN 0.527 nan 8.150 nan 0.000 0.456 103 L N -1.134 120.114 121.223 0.041 0.000 2.131 103 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 103 L C 2.499 179.420 176.870 0.086 0.000 1.092 103 L CA 1.852 56.737 54.840 0.076 0.000 0.759 103 L CB -0.353 41.758 42.059 0.087 0.000 0.903 103 L HN 0.429 nan 8.230 nan 0.000 0.435 104 K N 0.249 120.688 120.400 0.066 0.000 1.973 104 K HA -0.118 4.202 4.320 -0.000 0.000 0.210 104 K C 1.934 178.564 176.600 0.050 0.000 1.045 104 K CA 1.624 57.959 56.287 0.079 0.000 0.937 104 K CB -0.587 31.957 32.500 0.074 0.000 0.721 104 K HN -0.020 nan 8.250 nan 0.000 0.438 105 V N 1.325 121.262 119.914 0.037 0.000 2.363 105 V HA -0.321 3.799 4.120 -0.000 0.000 0.254 105 V C 2.459 178.525 176.094 -0.048 0.000 1.074 105 V CA 2.310 64.623 62.300 0.022 0.000 1.069 105 V CB -0.703 31.149 31.823 0.047 0.000 0.659 105 V HN 0.366 nan 8.190 nan 0.000 0.455 106 R N -0.092 120.334 120.500 -0.125 0.000 1.967 106 R HA -0.000 4.340 4.340 -0.000 0.000 0.184 106 R C 0.713 176.839 176.300 -0.290 0.000 1.350 106 R CA 0.839 56.741 56.100 -0.331 0.000 1.232 106 R CB -0.842 29.116 30.300 -0.568 0.000 0.813 106 R HN 0.390 nan 8.270 nan 0.000 0.512 107 Y N 2.242 122.552 120.300 0.018 0.000 2.604 107 Y HA 0.135 4.685 4.550 -0.000 0.000 0.341 107 Y C 1.509 177.438 175.900 0.048 0.000 1.249 107 Y CA 0.172 58.290 58.100 0.030 0.000 1.926 107 Y CB -0.633 37.847 38.460 0.032 0.000 1.941 107 Y HN 0.314 nan 8.280 nan 0.000 0.426 108 R N 1.154 121.723 120.500 0.116 0.000 2.133 108 R HA -0.201 4.139 4.340 -0.000 0.000 0.247 108 R C 1.010 177.380 176.300 0.117 0.000 1.151 108 R CA 1.935 58.095 56.100 0.100 0.000 0.971 108 R CB 0.233 30.575 30.300 0.069 0.000 0.866 108 R HN 0.494 nan 8.270 nan 0.000 0.447 109 E N -0.638 119.637 120.200 0.125 0.000 2.481 109 E HA 0.019 4.369 4.350 -0.000 0.000 0.198 109 E C 1.400 178.070 176.600 0.117 0.000 1.027 109 E CA -0.003 56.462 56.400 0.107 0.000 0.900 109 E CB 0.490 30.241 29.700 0.086 0.000 0.993 109 E HN 0.239 nan 8.360 nan 0.000 0.482 110 R N 0.656 121.249 120.500 0.155 0.000 2.246 110 R HA 0.227 4.567 4.340 -0.000 0.000 0.199 110 R C 1.377 177.791 176.300 0.189 0.000 0.984 110 R CA 0.283 56.471 56.100 0.147 0.000 1.015 110 R CB 0.167 30.549 30.300 0.136 0.000 0.930 110 R HN 0.245 nan 8.270 nan 0.000 0.475 111 I N -2.803 117.892 120.570 0.210 0.000 2.802 111 I HA 0.470 4.640 4.170 -0.000 0.000 0.298 111 I C -1.146 175.100 176.117 0.216 0.000 1.176 111 I CA -0.826 60.629 61.300 0.258 0.000 1.025 111 I CB 2.808 40.997 38.000 0.315 0.000 1.243 111 I HN -0.308 nan 8.210 nan 0.000 0.424 112 T N 6.181 120.875 114.554 0.234 0.000 2.847 112 T HA 0.603 4.953 4.350 -0.000 0.000 0.291 112 T C -0.221 174.636 174.700 0.262 0.000 0.998 112 T CA -0.398 61.821 62.100 0.198 0.000 0.967 112 T CB 1.094 70.047 68.868 0.143 0.000 0.954 112 T HN 0.587 nan 8.240 nan 0.000 0.441 113 I N 1.690 122.399 120.570 0.231 0.000 2.392 113 I HA 0.702 4.872 4.170 -0.000 0.000 0.295 113 I C -0.821 175.453 176.117 0.262 0.000 0.985 113 I CA -1.124 60.346 61.300 0.283 0.000 1.221 113 I CB 1.157 39.236 38.000 0.132 0.000 1.366 113 I HN 0.361 nan 8.210 nan 0.000 0.467 114 L N 4.505 125.903 121.223 0.292 0.000 2.341 114 L HA 0.581 4.920 4.340 -0.000 0.000 0.267 114 L C 0.052 176.917 176.870 -0.009 0.000 1.009 114 L CA -0.856 54.057 54.840 0.123 0.000 0.819 114 L CB 2.276 44.371 42.059 0.060 0.000 1.323 114 L HN 0.677 nan 8.230 nan 0.000 0.425 115 R N 0.116 120.572 120.500 -0.073 0.000 2.594 115 R HA 0.517 4.857 4.340 -0.000 0.000 0.272 115 R C -0.176 175.883 176.300 -0.402 0.000 1.074 115 R CA 0.054 56.015 56.100 -0.231 0.000 1.105 115 R CB 1.115 31.342 30.300 -0.120 0.000 1.008 115 R HN 0.838 nan 8.270 nan 0.000 0.472 116 G N 1.023 109.436 108.800 -0.646 0.000 2.630 116 G HA2 0.071 4.031 3.960 -0.000 0.000 0.296 116 G HA3 0.071 4.031 3.960 -0.000 0.000 0.296 116 G C 0.219 174.649 174.900 -0.784 0.000 1.285 116 G CA -0.751 43.744 45.100 -1.007 0.000 0.958 116 G HN 0.800 nan 8.290 nan 0.000 0.479 117 N N -0.417 117.705 118.700 -0.963 0.000 2.334 117 N HA -0.201 4.538 4.740 -0.000 0.000 0.187 117 N C 0.956 176.220 175.510 -0.410 0.000 1.016 117 N CA 1.471 54.022 53.050 -0.833 0.000 0.879 117 N CB -0.303 37.191 38.487 -1.656 0.000 0.965 117 N HN 0.658 nan 8.380 nan 0.000 0.438 118 H N -0.409 118.421 119.070 -0.399 0.000 2.553 118 H HA 0.164 4.719 4.556 -0.000 0.000 0.265 118 H C 0.234 175.417 175.328 -0.242 0.000 0.964 118 H CA 0.073 56.019 56.048 -0.171 0.000 1.156 118 H CB 0.529 30.234 29.762 -0.096 0.000 1.411 118 H HN 0.194 nan 8.280 nan 0.000 0.558 119 E N 1.672 121.651 120.200 -0.368 0.000 2.424 119 E HA 0.022 4.372 4.350 -0.000 0.000 0.237 119 E C -0.255 176.298 176.600 -0.078 0.000 1.381 119 E CA -0.261 55.761 56.400 -0.630 0.000 1.587 119 E CB -0.115 29.028 29.700 -0.929 0.000 1.398 119 E HN 0.303 nan 8.360 nan 0.000 0.439 120 S N -2.083 113.680 115.700 0.105 0.000 2.549 120 S HA 0.486 4.956 4.470 -0.000 0.000 0.280 120 S C 0.775 175.541 174.600 0.276 0.000 1.109 120 S CA -1.039 57.273 58.200 0.187 0.000 0.905 120 S CB 2.134 65.412 63.200 0.131 0.000 1.081 120 S HN 0.100 nan 8.310 nan 0.000 0.477 121 R N 1.261 121.912 120.500 0.252 0.000 2.113 121 R HA -0.205 4.135 4.340 -0.000 0.000 0.231 121 R C 2.293 178.829 176.300 0.393 0.000 1.129 121 R CA 2.104 58.425 56.100 0.370 0.000 0.915 121 R CB -0.788 29.692 30.300 0.299 0.000 0.837 121 R HN 0.880 nan 8.270 nan 0.000 0.430 122 Q N 0.484 120.431 119.800 0.245 0.000 2.224 122 Q HA -0.248 4.092 4.340 -0.000 0.000 0.213 122 Q C 1.806 177.893 176.000 0.146 0.000 0.998 122 Q CA 1.906 57.803 55.803 0.157 0.000 0.895 122 Q CB -0.075 28.710 28.738 0.079 0.000 0.926 122 Q HN 0.301 nan 8.270 nan 0.000 0.417 123 I N -0.342 120.353 120.570 0.208 0.000 2.270 123 I HA -0.208 3.962 4.170 -0.000 0.000 0.239 123 I C 2.560 178.890 176.117 0.354 0.000 1.080 123 I CA 1.563 63.010 61.300 0.244 0.000 1.383 123 I CB -0.851 37.281 38.000 0.219 0.000 1.097 123 I HN 0.351 nan 8.210 nan 0.000 0.420 124 T N -1.280 113.560 114.554 0.477 0.000 2.751 124 T HA -0.334 4.016 4.350 -0.000 0.000 0.268 124 T C 1.842 176.865 174.700 0.539 0.000 1.045 124 T CA 1.843 64.334 62.100 0.651 0.000 1.142 124 T CB -0.596 68.821 68.868 0.915 0.000 0.851 124 T HN 0.412 nan 8.240 nan 0.000 0.474 125 Q N 0.049 120.069 119.800 0.366 0.000 2.049 125 Q HA 0.009 4.349 4.340 -0.000 0.000 0.198 125 Q C 2.672 178.654 176.000 -0.031 0.000 0.971 125 Q CA 1.428 57.257 55.803 0.042 0.000 0.833 125 Q CB -0.176 28.482 28.738 -0.133 0.000 0.896 125 Q HN 0.502 nan 8.270 nan 0.000 0.434 126 V N -0.308 119.566 119.914 -0.067 0.000 2.270 126 V HA -0.238 3.882 4.120 -0.000 0.000 0.245 126 V C 1.516 177.453 176.094 -0.263 0.000 1.043 126 V CA 1.693 63.834 62.300 -0.265 0.000 1.014 126 V CB -0.476 31.026 31.823 -0.534 0.000 0.645 126 V HN 0.365 nan 8.190 nan 0.000 0.447 127 Y N 0.267 120.663 120.300 0.159 0.000 2.546 127 Y HA 0.403 4.953 4.550 -0.000 0.000 0.287 127 Y C 1.828 177.831 175.900 0.172 0.000 1.158 127 Y CA 0.601 58.801 58.100 0.166 0.000 1.307 127 Y CB 0.193 38.795 38.460 0.237 0.000 1.036 127 Y HN 0.338 nan 8.280 nan 0.000 0.532 128 G N -1.492 107.499 108.800 0.319 0.000 2.905 128 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.196 128 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.196 128 G C 1.053 176.166 174.900 0.354 0.000 1.044 128 G CA 0.053 45.326 45.100 0.287 0.000 0.778 128 G HN 0.185 nan 8.290 nan 0.000 0.474 129 F N 1.525 121.651 119.950 0.294 0.000 2.147 129 F HA -0.045 4.482 4.527 -0.000 0.000 0.301 129 F C 2.049 178.063 175.800 0.355 0.000 1.084 129 F CA 2.062 60.252 58.000 0.317 0.000 1.268 129 F CB -0.520 38.723 39.000 0.405 0.000 1.009 129 F HN 0.385 nan 8.300 nan 0.000 0.486 130 Y N 1.129 121.506 120.300 0.129 0.000 2.060 130 Y HA -0.236 4.314 4.550 -0.000 0.000 0.276 130 Y C 2.524 178.284 175.900 -0.233 0.000 1.127 130 Y CA 2.220 60.164 58.100 -0.259 0.000 1.104 130 Y CB -0.974 37.238 38.460 -0.414 0.000 0.983 130 Y HN -0.004 nan 8.280 nan 0.000 0.483 131 D N 0.331 120.757 120.400 0.043 0.000 2.154 131 D HA -0.278 4.362 4.640 -0.000 0.000 0.190 131 D C 2.108 178.324 176.300 -0.140 0.000 1.003 131 D CA 1.975 55.939 54.000 -0.059 0.000 0.849 131 D CB -0.545 40.298 40.800 0.072 0.000 0.942 131 D HN 0.640 nan 8.370 nan 0.000 0.446 132 E N -0.103 120.061 120.200 -0.060 0.000 2.097 132 E HA -0.199 4.151 4.350 -0.000 0.000 0.196 132 E C 2.183 178.691 176.600 -0.154 0.000 1.000 132 E CA 1.120 57.471 56.400 -0.082 0.000 0.804 132 E CB -0.081 29.624 29.700 0.008 0.000 0.740 132 E HN 0.234 nan 8.360 nan 0.000 0.454 133 C N 0.195 119.351 119.300 -0.239 0.000 2.413 133 C HA -0.157 4.303 4.460 -0.000 0.000 0.276 133 C C 2.509 177.407 174.990 -0.153 0.000 1.248 133 C CA 0.374 59.280 59.018 -0.186 0.000 1.742 133 C CB -0.919 26.621 27.740 -0.334 0.000 2.017 133 C HN 0.447 nan 8.230 nan 0.000 0.481 134 L N 0.581 121.620 121.223 -0.306 0.000 1.973 134 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 134 L C 2.595 179.370 176.870 -0.159 0.000 1.073 134 L CA 1.753 56.440 54.840 -0.255 0.000 0.746 134 L CB -1.150 40.713 42.059 -0.328 0.000 0.891 134 L HN 0.265 nan 8.230 nan 0.000 0.433 135 R N -0.514 119.894 120.500 -0.153 0.000 2.294 135 R HA -0.221 4.119 4.340 -0.000 0.000 0.250 135 R C 1.737 177.943 176.300 -0.158 0.000 1.181 135 R CA 1.590 57.615 56.100 -0.125 0.000 1.016 135 R CB 0.040 30.278 30.300 -0.104 0.000 0.869 135 R HN 0.355 nan 8.270 nan 0.000 0.476 136 K N -2.444 117.834 120.400 -0.204 0.000 2.436 136 K HA 0.056 4.376 4.320 -0.000 0.000 0.198 136 K C 0.552 176.908 176.600 -0.407 0.000 1.174 136 K CA 0.277 56.364 56.287 -0.335 0.000 0.951 136 K CB 0.577 32.803 32.500 -0.457 0.000 1.040 136 K HN 0.115 nan 8.250 nan 0.000 0.536 137 Y N -0.616 119.616 120.300 -0.113 0.000 2.445 137 Y HA 0.210 4.760 4.550 -0.000 0.000 0.247 137 Y C 1.466 177.306 175.900 -0.101 0.000 1.129 137 Y CA 0.320 58.361 58.100 -0.098 0.000 1.251 137 Y CB 1.408 39.806 38.460 -0.103 0.000 1.176 137 Y HN 0.228 nan 8.280 nan 0.000 0.522 138 G N 0.695 109.501 108.800 0.009 0.000 2.900 138 G HA2 -0.449 3.511 3.960 -0.000 0.000 0.223 138 G HA3 -0.449 3.511 3.960 -0.000 0.000 0.223 138 G C 0.831 175.697 174.900 -0.058 0.000 1.293 138 G CA 0.742 45.825 45.100 -0.028 0.000 0.792 138 G HN 0.505 nan 8.290 nan 0.000 0.527 139 N N 0.492 119.159 118.700 -0.055 0.000 2.374 139 N HA 0.652 5.392 4.740 -0.000 0.000 0.272 139 N C 0.867 176.280 175.510 -0.161 0.000 1.340 139 N CA 1.259 54.254 53.050 -0.093 0.000 0.919 139 N CB -0.005 38.426 38.487 -0.093 0.000 1.087 139 N HN 1.468 nan 8.380 nan 0.000 0.454 140 A N -2.336 120.379 122.820 -0.175 0.000 2.515 140 A HA 0.312 4.632 4.320 -0.000 0.000 0.253 140 A C 0.291 177.784 177.584 -0.152 0.000 0.863 140 A CA -0.599 51.305 52.037 -0.221 0.000 1.124 140 A CB -0.691 18.192 19.000 -0.194 0.000 1.214 140 A HN 0.475 nan 8.150 nan 0.000 0.470 141 N N -0.112 118.414 118.700 -0.291 0.000 2.336 141 N HA -0.049 4.691 4.740 -0.000 0.000 0.177 141 N C 1.583 176.512 175.510 -0.968 0.000 1.018 141 N CA 1.407 54.087 53.050 -0.617 0.000 0.878 141 N CB 0.153 38.241 38.487 -0.665 0.000 0.997 141 N HN 0.245 nan 8.380 nan 0.000 0.433 142 V N 0.494 120.027 119.914 -0.635 0.000 2.720 142 V HA -0.178 3.942 4.120 -0.000 0.000 0.256 142 V C 1.967 177.985 176.094 -0.127 0.000 1.082 142 V CA 1.129 63.146 62.300 -0.472 0.000 1.101 142 V CB -0.575 30.921 31.823 -0.546 0.000 0.693 142 V HN 0.397 nan 8.190 nan 0.000 0.479 143 W N 1.458 122.578 121.300 -0.300 0.000 2.408 143 W HA -0.164 4.496 4.660 -0.000 0.000 0.311 143 W C 2.587 179.085 176.519 -0.036 0.000 1.190 143 W CA 2.015 59.262 57.345 -0.162 0.000 1.321 143 W CB -0.159 29.178 29.460 -0.204 0.000 1.143 143 W HN 0.097 nan 8.180 nan 0.000 0.501 144 K N -0.540 119.889 120.400 0.049 0.000 2.032 144 K HA -0.276 4.044 4.320 -0.000 0.000 0.209 144 K C 2.067 178.600 176.600 -0.111 0.000 1.048 144 K CA 2.111 58.319 56.287 -0.132 0.000 0.927 144 K CB -1.106 31.418 32.500 0.040 0.000 0.712 144 K HN 0.369 nan 8.250 nan 0.000 0.441 145 Y N -0.709 119.484 120.300 -0.178 0.000 2.114 145 Y HA -0.272 4.278 4.550 -0.000 0.000 0.282 145 Y C 2.223 177.904 175.900 -0.363 0.000 1.165 145 Y CA 0.733 58.662 58.100 -0.284 0.000 1.148 145 Y CB -0.225 38.001 38.460 -0.391 0.000 0.972 145 Y HN 0.059 nan 8.280 nan 0.000 0.504 146 F N 0.120 119.974 119.950 -0.160 0.000 2.187 146 F HA -0.165 4.362 4.527 -0.000 0.000 0.295 146 F C 2.801 178.024 175.800 -0.963 0.000 1.091 146 F CA 1.591 59.313 58.000 -0.463 0.000 1.308 146 F CB -1.179 37.672 39.000 -0.248 0.000 1.030 146 F HN 0.025 nan 8.300 nan 0.000 0.487 147 T N -2.829 111.374 114.554 -0.585 0.000 2.929 147 T HA -0.161 4.189 4.350 -0.000 0.000 0.271 147 T C 1.445 176.005 174.700 -0.233 0.000 1.085 147 T CA 1.613 63.392 62.100 -0.534 0.000 1.125 147 T CB -0.377 68.015 68.868 -0.794 0.000 0.874 147 T HN 0.109 nan 8.240 nan 0.000 0.494 148 D N 1.027 121.324 120.400 -0.172 0.000 2.137 148 D HA 0.067 4.707 4.640 -0.000 0.000 0.202 148 D C 1.992 178.402 176.300 0.184 0.000 0.970 148 D CA 0.524 54.544 54.000 0.032 0.000 0.837 148 D CB -0.419 40.414 40.800 0.054 0.000 0.981 148 D HN 0.340 nan 8.370 nan 0.000 0.475 149 L N 0.418 121.684 121.223 0.072 0.000 2.191 149 L HA -0.110 4.230 4.340 -0.000 0.000 0.212 149 L C 1.803 178.912 176.870 0.398 0.000 1.103 149 L CA 1.264 56.217 54.840 0.188 0.000 0.769 149 L CB -0.516 41.598 42.059 0.092 0.000 0.908 149 L HN -0.175 nan 8.230 nan 0.000 0.438 150 F N 0.389 120.473 119.950 0.223 0.000 2.161 150 F HA -0.190 4.337 4.527 -0.000 0.000 0.300 150 F C 2.253 178.128 175.800 0.124 0.000 1.089 150 F CA 1.104 59.199 58.000 0.158 0.000 1.282 150 F CB -1.245 37.809 39.000 0.091 0.000 1.010 150 F HN 0.253 nan 8.300 nan 0.000 0.485 151 D N -1.341 119.229 120.400 0.283 0.000 2.219 151 D HA -0.183 4.456 4.640 -0.000 0.000 0.205 151 D C 1.876 178.145 176.300 -0.052 0.000 0.970 151 D CA 1.123 55.151 54.000 0.046 0.000 0.851 151 D CB -0.510 40.215 40.800 -0.125 0.000 0.943 151 D HN 0.326 nan 8.370 nan 0.000 0.488 152 Y N 0.469 120.843 120.300 0.124 0.000 2.523 152 Y HA 0.173 4.723 4.550 -0.000 0.000 0.279 152 Y C 1.086 177.054 175.900 0.113 0.000 1.139 152 Y CA -0.201 57.961 58.100 0.104 0.000 1.296 152 Y CB -0.183 38.331 38.460 0.090 0.000 1.045 152 Y HN -0.149 nan 8.280 nan 0.000 0.538 153 L N 4.935 126.318 121.223 0.266 0.000 2.534 153 L HA 0.068 4.408 4.340 -0.000 0.000 0.271 153 L C -1.974 174.976 176.870 0.133 0.000 1.178 153 L CA -1.739 53.222 54.840 0.202 0.000 0.907 153 L CB 0.245 42.419 42.059 0.192 0.000 1.164 153 L HN -0.090 nan 8.230 nan 0.000 0.482 154 P HA -0.026 nan 4.420 nan 0.000 0.265 154 P C 0.796 178.140 177.300 0.074 0.000 1.193 154 P CA -0.040 63.121 63.100 0.102 0.000 0.765 154 P CB 1.005 32.771 31.700 0.109 0.000 0.823 155 L N 1.622 122.886 121.223 0.068 0.000 2.017 155 L HA -0.066 4.274 4.340 -0.000 0.000 0.208 155 L C 1.586 178.470 176.870 0.022 0.000 1.073 155 L CA 1.941 56.810 54.840 0.048 0.000 0.745 155 L CB -0.832 41.273 42.059 0.076 0.000 0.894 155 L HN 0.561 nan 8.230 nan 0.000 0.432 156 T N -3.478 111.101 114.554 0.042 0.000 2.865 156 T HA 0.773 5.123 4.350 -0.000 0.000 0.294 156 T C -0.944 173.766 174.700 0.018 0.000 1.119 156 T CA -0.484 61.594 62.100 -0.037 0.000 1.007 156 T CB 2.633 71.451 68.868 -0.084 0.000 1.225 156 T HN 0.094 nan 8.240 nan 0.000 0.515 157 A N 0.831 123.625 122.820 -0.044 0.000 2.455 157 A HA 0.768 5.088 4.320 -0.000 0.000 0.300 157 A C -1.614 176.022 177.584 0.087 0.000 1.040 157 A CA -0.763 51.300 52.037 0.043 0.000 0.697 157 A CB 1.652 20.672 19.000 0.034 0.000 1.265 157 A HN 0.889 nan 8.150 nan 0.000 0.407 158 L N 2.906 124.217 121.223 0.148 0.000 2.298 158 L HA 0.559 4.899 4.340 -0.000 0.000 0.284 158 L C -0.677 176.257 176.870 0.107 0.000 1.013 158 L CA -0.276 54.670 54.840 0.178 0.000 0.824 158 L CB 1.640 43.814 42.059 0.192 0.000 1.221 158 L HN 0.457 nan 8.230 nan 0.000 0.418 159 V N 4.417 124.386 119.914 0.092 0.000 2.372 159 V HA 0.223 4.343 4.120 -0.000 0.000 0.261 159 V C 0.417 176.545 176.094 0.058 0.000 1.055 159 V CA -0.449 61.887 62.300 0.059 0.000 0.930 159 V CB 0.331 32.178 31.823 0.041 0.000 1.031 159 V HN 0.886 nan 8.190 nan 0.000 0.479 160 D N 4.481 124.910 120.400 0.048 0.000 2.708 160 D HA -0.189 4.451 4.640 -0.000 0.000 0.236 160 D C 1.493 177.818 176.300 0.041 0.000 1.146 160 D CA 1.641 55.665 54.000 0.040 0.000 0.662 160 D CB -1.051 39.770 40.800 0.034 0.000 1.059 160 D HN 1.273 nan 8.370 nan 0.000 0.428 161 G N -0.780 108.049 108.800 0.049 0.000 2.262 161 G HA2 -0.468 3.492 3.960 -0.000 0.000 0.269 161 G HA3 -0.468 3.492 3.960 -0.000 0.000 0.269 161 G C 0.976 175.896 174.900 0.034 0.000 0.984 161 G CA 1.187 46.310 45.100 0.039 0.000 0.649 161 G HN 0.563 nan 8.290 nan 0.000 0.548 162 Q N -1.034 118.794 119.800 0.048 0.000 2.390 162 Q HA 0.382 4.722 4.340 -0.000 0.000 0.216 162 Q C 0.967 177.013 176.000 0.076 0.000 0.916 162 Q CA 0.369 56.201 55.803 0.048 0.000 0.911 162 Q CB 0.665 29.434 28.738 0.053 0.000 1.035 162 Q HN 0.607 nan 8.270 nan 0.000 0.541 163 I N 1.057 121.687 120.570 0.099 0.000 2.378 163 I HA 0.225 4.395 4.170 -0.000 0.000 0.291 163 I C -0.970 175.273 176.117 0.209 0.000 0.992 163 I CA -0.864 60.514 61.300 0.129 0.000 1.154 163 I CB 1.253 39.300 38.000 0.077 0.000 1.315 163 I HN -0.048 nan 8.210 nan 0.000 0.448 164 F N 6.626 126.613 119.950 0.061 0.000 2.408 164 F HA 0.499 5.026 4.527 -0.000 0.000 0.344 164 F C -0.342 175.514 175.800 0.093 0.000 1.112 164 F CA -0.869 57.187 58.000 0.093 0.000 1.096 164 F CB 0.775 39.864 39.000 0.148 0.000 1.129 164 F HN 0.371 nan 8.300 nan 0.000 0.486 165 C N 7.428 126.506 119.300 -0.370 0.000 2.455 165 C HA 0.859 5.319 4.460 -0.000 0.000 0.320 165 C C -0.530 174.150 174.990 -0.517 0.000 1.226 165 C CA -1.073 57.742 59.018 -0.337 0.000 1.569 165 C CB 0.547 28.205 27.740 -0.137 0.000 2.200 165 C HN 0.897 nan 8.230 nan 0.000 0.491 166 L N 0.869 121.891 121.223 -0.335 0.000 2.612 166 L HA 0.456 4.796 4.340 -0.000 0.000 0.256 166 L C 0.563 177.362 176.870 -0.118 0.000 0.949 166 L CA -0.616 54.077 54.840 -0.245 0.000 0.867 166 L CB 0.995 42.873 42.059 -0.302 0.000 1.417 166 L HN 0.726 nan 8.230 nan 0.000 0.414 167 H N 2.339 121.298 119.070 -0.184 0.000 2.265 167 H HA 0.000 4.556 4.556 -0.000 0.000 0.295 167 H C 1.324 176.536 175.328 -0.193 0.000 1.084 167 H CA 2.928 58.845 56.048 -0.218 0.000 1.261 167 H CB 0.147 29.704 29.762 -0.341 0.000 1.360 167 H HN 0.872 nan 8.280 nan 0.000 0.487 168 G N -1.604 107.035 108.800 -0.270 0.000 2.558 168 G HA2 0.430 4.390 3.960 -0.000 0.000 0.218 168 G HA3 0.430 4.390 3.960 -0.000 0.000 0.218 168 G C 0.506 175.433 174.900 0.045 0.000 1.567 168 G CA 0.330 45.291 45.100 -0.231 0.000 0.950 168 G HN 0.788 nan 8.290 nan 0.000 0.517 169 G N -1.535 107.375 108.800 0.184 0.000 2.650 169 G HA2 0.485 4.445 3.960 -0.000 0.000 0.310 169 G HA3 0.485 4.445 3.960 -0.000 0.000 0.310 169 G C -1.351 173.853 174.900 0.506 0.000 1.270 169 G CA -0.892 44.519 45.100 0.518 0.000 0.810 169 G HN 0.436 nan 8.290 nan 0.000 0.493 170 L N 0.548 122.219 121.223 0.747 0.000 2.418 170 L HA 0.661 5.001 4.340 -0.000 0.000 0.265 170 L C 0.579 177.813 176.870 0.606 0.000 1.143 170 L CA -0.471 54.559 54.840 0.316 0.000 0.809 170 L CB 1.583 43.537 42.059 -0.174 0.000 1.124 170 L HN 0.448 nan 8.230 nan 0.000 0.456 171 S N 0.592 116.509 115.700 0.361 0.000 2.571 171 S HA 0.475 4.945 4.470 -0.000 0.000 0.284 171 S C -2.102 172.457 174.600 -0.068 0.000 1.128 171 S CA -1.419 56.877 58.200 0.160 0.000 0.970 171 S CB 1.853 65.122 63.200 0.115 0.000 1.039 171 S HN 0.288 nan 8.310 nan 0.000 0.485 172 P HA -0.109 nan 4.420 nan 0.000 0.214 172 P C 1.196 178.365 177.300 -0.219 0.000 1.169 172 P CA 1.406 64.106 63.100 -0.667 0.000 0.908 172 P CB 0.060 31.046 31.700 -1.190 0.000 0.791 173 S N -1.190 114.397 115.700 -0.189 0.000 2.571 173 S HA -0.040 4.430 4.470 -0.000 0.000 0.245 173 S C 0.878 175.384 174.600 -0.157 0.000 0.976 173 S CA 0.748 58.868 58.200 -0.133 0.000 0.954 173 S CB -0.933 62.226 63.200 -0.068 0.000 0.756 173 S HN 0.103 nan 8.310 nan 0.000 0.535 174 I N 0.933 121.456 120.570 -0.078 0.000 2.410 174 I HA 0.290 4.460 4.170 -0.000 0.000 0.286 174 I C -0.120 176.059 176.117 0.103 0.000 1.009 174 I CA -0.387 60.904 61.300 -0.016 0.000 1.111 174 I CB 1.931 39.995 38.000 0.107 0.000 1.262 174 I HN -0.066 nan 8.210 nan 0.000 0.443 175 D N 2.469 122.957 120.400 0.146 0.000 2.716 175 D HA 0.060 4.700 4.640 -0.000 0.000 0.273 175 D C 0.801 177.397 176.300 0.494 0.000 1.024 175 D CA 0.984 55.201 54.000 0.362 0.000 0.944 175 D CB 0.857 41.816 40.800 0.265 0.000 1.186 175 D HN 0.578 nan 8.370 nan 0.000 0.485 176 T N -1.588 113.290 114.554 0.541 0.000 2.940 176 T HA 0.452 4.802 4.350 -0.000 0.000 0.288 176 T C 1.474 176.293 174.700 0.198 0.000 1.033 176 T CA -0.695 61.544 62.100 0.231 0.000 1.033 176 T CB 1.724 70.639 68.868 0.078 0.000 1.079 176 T HN -0.158 nan 8.240 nan 0.000 0.496 177 L N 0.355 121.590 121.223 0.021 0.000 2.201 177 L HA -0.052 4.288 4.340 -0.000 0.000 0.212 177 L C 2.226 179.154 176.870 0.096 0.000 1.105 177 L CA 1.190 56.059 54.840 0.049 0.000 0.775 177 L CB -0.448 41.586 42.059 -0.041 0.000 0.913 177 L HN 0.764 nan 8.230 nan 0.000 0.440 178 D N -1.025 119.398 120.400 0.039 0.000 2.144 178 D HA -0.180 4.460 4.640 -0.000 0.000 0.200 178 D C 1.965 178.298 176.300 0.055 0.000 0.978 178 D CA 0.974 54.982 54.000 0.013 0.000 0.833 178 D CB -0.117 40.644 40.800 -0.066 0.000 0.961 178 D HN 0.391 nan 8.370 nan 0.000 0.470 179 H N 0.831 119.952 119.070 0.086 0.000 2.394 179 H HA -0.103 4.453 4.556 -0.000 0.000 0.297 179 H C 2.332 177.725 175.328 0.108 0.000 1.113 179 H CA 0.815 56.920 56.048 0.096 0.000 1.277 179 H CB -0.048 29.784 29.762 0.117 0.000 1.370 179 H HN 0.275 nan 8.280 nan 0.000 0.506 180 I N 0.013 120.738 120.570 0.258 0.000 2.406 180 I HA -0.147 4.023 4.170 -0.000 0.000 0.249 180 I C 2.371 178.585 176.117 0.162 0.000 1.122 180 I CA 0.538 61.968 61.300 0.216 0.000 1.431 180 I CB -0.152 38.008 38.000 0.266 0.000 1.087 180 I HN 0.051 nan 8.210 nan 0.000 0.424 181 R N 0.891 121.474 120.500 0.138 0.000 2.285 181 R HA -0.039 4.301 4.340 -0.000 0.000 0.213 181 R C 2.100 178.452 176.300 0.087 0.000 1.068 181 R CA 1.025 57.187 56.100 0.104 0.000 1.004 181 R CB -0.134 30.215 30.300 0.081 0.000 0.873 181 R HN 0.359 nan 8.270 nan 0.000 0.467 182 A N 0.860 123.737 122.820 0.095 0.000 1.956 182 A HA 0.120 4.440 4.320 -0.000 0.000 0.212 182 A C 1.101 178.735 177.584 0.083 0.000 1.188 182 A CA -0.070 52.016 52.037 0.082 0.000 0.675 182 A CB 0.021 19.074 19.000 0.088 0.000 0.845 182 A HN 0.088 nan 8.150 nan 0.000 0.455 183 L N 0.228 121.510 121.223 0.098 0.000 2.489 183 L HA -0.008 4.332 4.340 -0.000 0.000 0.285 183 L C -0.096 176.813 176.870 0.066 0.000 1.259 183 L CA 0.295 55.186 54.840 0.085 0.000 0.828 183 L CB 0.083 42.200 42.059 0.096 0.000 1.094 183 L HN 0.280 nan 8.230 nan 0.000 0.524 184 D N -0.766 119.665 120.400 0.052 0.000 2.438 184 D HA 0.196 4.836 4.640 -0.000 0.000 0.257 184 D C 0.848 177.162 176.300 0.023 0.000 1.148 184 D CA -0.534 53.486 54.000 0.034 0.000 0.902 184 D CB 0.723 41.538 40.800 0.025 0.000 1.062 184 D HN 0.361 nan 8.370 nan 0.000 0.518 185 R N 2.891 123.405 120.500 0.024 0.000 2.235 185 R HA 0.068 4.408 4.340 -0.000 0.000 0.213 185 R C 0.427 176.706 176.300 -0.035 0.000 1.059 185 R CA 0.384 56.492 56.100 0.014 0.000 0.997 185 R CB -0.276 30.044 30.300 0.034 0.000 0.884 185 R HN 0.336 nan 8.270 nan 0.000 0.462 186 L N 3.455 124.632 121.223 -0.076 0.000 2.530 186 L HA 0.027 4.367 4.340 -0.000 0.000 0.247 186 L C -0.380 176.410 176.870 -0.134 0.000 1.416 186 L CA 0.264 54.990 54.840 -0.190 0.000 1.202 186 L CB -1.100 40.842 42.059 -0.196 0.000 1.415 186 L HN 0.453 nan 8.230 nan 0.000 0.443 187 Q N -1.002 118.745 119.800 -0.089 0.000 2.791 187 Q HA 0.315 4.655 4.340 -0.000 0.000 0.280 187 Q C -1.010 174.992 176.000 0.003 0.000 0.928 187 Q CA -1.073 54.709 55.803 -0.036 0.000 0.819 187 Q CB 0.914 29.647 28.738 -0.008 0.000 1.552 187 Q HN 0.120 nan 8.270 nan 0.000 0.410 188 E N 0.438 120.655 120.200 0.029 0.000 2.415 188 E HA 0.218 4.568 4.350 -0.000 0.000 0.262 188 E C -0.705 175.931 176.600 0.060 0.000 1.038 188 E CA -0.296 56.139 56.400 0.057 0.000 0.921 188 E CB 0.974 30.718 29.700 0.075 0.000 0.950 188 E HN 0.440 nan 8.360 nan 0.000 0.438 189 V N 6.765 126.719 119.914 0.067 0.000 2.452 189 V HA 0.067 4.187 4.120 -0.000 0.000 0.286 189 V C -1.841 174.279 176.094 0.043 0.000 0.995 189 V CA -0.752 61.590 62.300 0.071 0.000 1.116 189 V CB -0.264 31.626 31.823 0.111 0.000 0.954 189 V HN 0.762 nan 8.190 nan 0.000 0.473 190 P HA 0.226 nan 4.420 nan 0.000 0.274 190 P C 0.378 177.679 177.300 0.003 0.000 1.237 190 P CA -0.320 62.827 63.100 0.078 0.000 0.793 190 P CB 0.562 32.305 31.700 0.071 0.000 0.977 191 H N -0.657 118.361 119.070 -0.087 0.000 2.457 191 H HA -0.006 4.550 4.556 -0.000 0.000 0.294 191 H C 0.354 175.566 175.328 -0.193 0.000 1.064 191 H CA 1.047 56.995 56.048 -0.167 0.000 1.330 191 H CB 0.001 29.680 29.762 -0.138 0.000 1.395 191 H HN 0.503 nan 8.280 nan 0.000 0.541 192 E N -1.083 119.116 120.200 -0.001 0.000 2.366 192 E HA 0.574 4.924 4.350 -0.000 0.000 0.278 192 E C -0.448 176.141 176.600 -0.019 0.000 0.923 192 E CA -0.895 55.472 56.400 -0.055 0.000 0.761 192 E CB 2.795 32.470 29.700 -0.041 0.000 1.231 192 E HN 0.203 nan 8.360 nan 0.000 0.443 193 G N 1.728 110.515 108.800 -0.022 0.000 2.326 193 G HA2 0.030 3.989 3.960 -0.000 0.000 0.413 193 G HA3 0.030 3.989 3.960 -0.000 0.000 0.413 193 G C -2.597 172.317 174.900 0.024 0.000 1.444 193 G CA -0.418 44.688 45.100 0.011 0.000 1.002 193 G HN 0.374 nan 8.290 nan 0.000 0.649 194 P HA -0.285 nan 4.420 nan 0.000 0.210 194 P C 2.128 179.475 177.300 0.077 0.000 1.185 194 P CA 2.237 65.371 63.100 0.057 0.000 0.924 194 P CB 0.008 31.742 31.700 0.057 0.000 0.786 195 M N -0.309 119.337 119.600 0.077 0.000 2.204 195 M HA -0.280 4.200 4.480 -0.000 0.000 0.255 195 M C 2.563 178.921 176.300 0.097 0.000 1.073 195 M CA 2.810 58.161 55.300 0.084 0.000 1.084 195 M CB -1.122 31.520 32.600 0.070 0.000 1.289 195 M HN 0.093 nan 8.290 nan 0.000 0.419 196 C N 1.259 120.614 119.300 0.092 0.000 2.367 196 C HA -0.247 4.213 4.460 -0.000 0.000 0.276 196 C C 2.247 177.368 174.990 0.219 0.000 1.195 196 C CA 2.094 61.199 59.018 0.145 0.000 1.756 196 C CB -1.467 26.291 27.740 0.029 0.000 2.046 196 C HN 0.688 nan 8.230 nan 0.000 0.453 197 D N 0.506 120.972 120.400 0.110 0.000 2.104 197 D HA -0.140 4.500 4.640 -0.000 0.000 0.194 197 D C 2.139 178.533 176.300 0.155 0.000 0.994 197 D CA 1.540 55.608 54.000 0.113 0.000 0.830 197 D CB -0.629 40.211 40.800 0.066 0.000 0.959 197 D HN 0.583 nan 8.370 nan 0.000 0.452 198 L N -0.069 121.236 121.223 0.138 0.000 2.197 198 L HA -0.207 4.132 4.340 -0.000 0.000 0.215 198 L C 1.818 178.719 176.870 0.052 0.000 1.095 198 L CA 0.683 55.597 54.840 0.124 0.000 0.764 198 L CB -0.158 41.974 42.059 0.122 0.000 0.897 198 L HN 0.050 nan 8.230 nan 0.000 0.436 199 L N -3.302 117.939 121.223 0.031 0.000 2.693 199 L HA 0.052 4.392 4.340 -0.000 0.000 0.235 199 L C 1.082 177.691 176.870 -0.434 0.000 1.127 199 L CA 0.720 55.470 54.840 -0.150 0.000 0.914 199 L CB 0.133 42.092 42.059 -0.166 0.000 1.193 199 L HN 0.179 nan 8.230 nan 0.000 0.502 200 W N -2.198 119.034 121.300 -0.112 0.000 2.974 200 W HA 0.295 4.955 4.660 -0.000 0.000 0.250 200 W C 1.311 177.838 176.519 0.014 0.000 1.074 200 W CA -0.133 57.172 57.345 -0.066 0.000 1.410 200 W CB 0.113 29.542 29.460 -0.051 0.000 0.846 200 W HN -0.273 nan 8.180 nan 0.000 0.680 201 S N 1.928 117.734 115.700 0.177 0.000 2.550 201 S HA 0.016 4.486 4.470 -0.000 0.000 0.285 201 S C -0.158 174.412 174.600 -0.050 0.000 1.326 201 S CA 0.363 58.615 58.200 0.086 0.000 1.037 201 S CB 0.193 63.517 63.200 0.207 0.000 0.838 201 S HN 0.035 nan 8.310 nan 0.000 0.519 202 D N 1.572 121.770 120.400 -0.337 0.000 2.547 202 D HA 0.423 5.063 4.640 -0.000 0.000 0.231 202 D C -2.810 172.929 176.300 -0.935 0.000 1.099 202 D CA -1.399 52.355 54.000 -0.411 0.000 0.901 202 D CB 2.019 42.707 40.800 -0.187 0.000 1.478 202 D HN 0.201 nan 8.370 nan 0.000 0.471 203 P HA 0.295 nan 4.420 nan 0.000 0.292 203 P C -0.953 176.300 177.300 -0.078 0.000 1.287 203 P CA -0.177 62.850 63.100 -0.121 0.000 0.800 203 P CB 1.608 33.306 31.700 -0.004 0.000 0.945 204 D N 0.855 121.344 120.400 0.149 0.000 2.527 204 D HA 0.164 4.803 4.640 -0.000 0.000 0.233 204 D C 0.521 176.985 176.300 0.273 0.000 1.063 204 D CA -0.396 53.689 54.000 0.141 0.000 0.880 204 D CB 1.645 42.495 40.800 0.085 0.000 1.457 204 D HN 0.280 nan 8.370 nan 0.000 0.475 205 D N 1.073 121.563 120.400 0.149 0.000 2.360 205 D HA -0.039 4.601 4.640 -0.000 0.000 0.210 205 D C 0.953 177.299 176.300 0.077 0.000 1.047 205 D CA -0.100 53.978 54.000 0.130 0.000 0.854 205 D CB 0.342 41.192 40.800 0.083 0.000 0.936 205 D HN 0.125 nan 8.370 nan 0.000 0.514 206 R N 1.265 121.807 120.500 0.070 0.000 2.316 206 R HA 0.164 4.504 4.340 -0.000 0.000 0.202 206 R C 1.274 177.596 176.300 0.036 0.000 1.029 206 R CA 0.601 56.730 56.100 0.048 0.000 1.018 206 R CB -1.267 29.063 30.300 0.051 0.000 0.888 206 R HN 0.309 nan 8.270 nan 0.000 0.471 207 G N 0.584 109.404 108.800 0.033 0.000 2.978 207 G HA2 0.076 4.036 3.960 -0.000 0.000 0.686 207 G HA3 0.076 4.036 3.960 -0.000 0.000 0.686 207 G C 0.224 175.111 174.900 -0.021 0.000 1.288 207 G CA 0.246 45.335 45.100 -0.018 0.000 1.026 207 G HN 0.649 nan 8.290 nan 0.000 0.587 208 G N 0.810 109.556 108.800 -0.089 0.000 3.177 208 G HA2 0.091 4.051 3.960 -0.000 0.000 0.682 208 G HA3 0.091 4.051 3.960 -0.000 0.000 0.682 208 G C 0.469 175.380 174.900 0.018 0.000 1.002 208 G CA 0.452 45.490 45.100 -0.103 0.000 0.910 208 G HN 1.947 nan 8.290 nan 0.000 0.538 209 W N 0.791 122.111 121.300 0.033 0.000 2.560 209 W HA 0.188 4.848 4.660 -0.000 0.000 0.338 209 W C 1.249 177.775 176.519 0.012 0.000 0.931 209 W CA 0.732 58.084 57.345 0.012 0.000 1.018 209 W CB 0.167 29.559 29.460 -0.113 0.000 1.056 209 W HN 0.939 nan 8.180 nan 0.000 0.560 210 G N 2.810 111.805 108.800 0.325 0.000 2.644 210 G HA2 0.619 4.579 3.960 -0.000 0.000 0.307 210 G HA3 0.619 4.579 3.960 -0.000 0.000 0.307 210 G C -1.593 173.452 174.900 0.241 0.000 1.250 210 G CA -1.266 43.959 45.100 0.209 0.000 0.996 210 G HN 0.346 nan 8.290 nan 0.000 0.489 211 I N 0.658 121.333 120.570 0.175 0.000 2.325 211 I HA 0.412 4.582 4.170 -0.000 0.000 0.291 211 I C 0.773 176.961 176.117 0.118 0.000 1.019 211 I CA -0.581 60.826 61.300 0.179 0.000 1.302 211 I CB 1.351 39.423 38.000 0.121 0.000 1.401 211 I HN 0.269 nan 8.210 nan 0.000 0.485 212 S N 9.433 125.194 115.700 0.102 0.000 2.481 212 S HA 0.285 4.755 4.470 -0.000 0.000 0.282 212 S C -1.317 173.298 174.600 0.025 0.000 1.243 212 S CA -1.007 57.222 58.200 0.049 0.000 1.078 212 S CB 0.336 63.550 63.200 0.024 0.000 0.916 212 S HN 0.616 nan 8.310 nan 0.000 0.495 213 P HA -0.029 nan 4.420 nan 0.000 0.244 213 P C 0.809 178.121 177.300 0.021 0.000 1.211 213 P CA 0.352 63.462 63.100 0.018 0.000 0.760 213 P CB 0.175 31.883 31.700 0.014 0.000 0.961 214 R N -0.317 120.203 120.500 0.033 0.000 2.052 214 R HA 0.157 4.497 4.340 -0.000 0.000 0.224 214 R C 1.889 178.186 176.300 -0.005 0.000 1.165 214 R CA 1.821 57.962 56.100 0.068 0.000 0.939 214 R CB -0.507 29.901 30.300 0.181 0.000 0.834 214 R HN 0.304 nan 8.270 nan 0.000 0.435 215 G N -1.743 107.008 108.800 -0.081 0.000 3.509 215 G HA2 0.072 4.032 3.960 -0.000 0.000 0.220 215 G HA3 0.072 4.032 3.960 -0.000 0.000 0.220 215 G C -0.476 174.256 174.900 -0.280 0.000 0.951 215 G CA -0.045 44.957 45.100 -0.163 0.000 0.844 215 G HN 0.613 nan 8.290 nan 0.000 0.568 216 A N -0.480 122.128 122.820 -0.353 0.000 2.569 216 A HA 1.036 5.356 4.320 -0.000 0.000 0.290 216 A C 0.809 178.219 177.584 -0.291 0.000 1.136 216 A CA 0.639 52.399 52.037 -0.461 0.000 0.710 216 A CB 0.933 19.390 19.000 -0.905 0.000 1.303 216 A HN 2.174 nan 8.150 nan 0.000 0.413 217 G N -1.323 107.238 108.800 -0.399 0.000 2.888 217 G HA2 0.068 4.028 3.960 -0.000 0.000 0.441 217 G HA3 0.068 4.028 3.960 -0.000 0.000 0.441 217 G C -0.633 173.969 174.900 -0.497 0.000 1.461 217 G CA 0.270 45.151 45.100 -0.364 0.000 0.897 217 G HN 1.457 nan 8.290 nan 0.000 0.547 218 Y N -1.456 118.879 120.300 0.059 0.000 2.686 218 Y HA 0.698 5.248 4.550 -0.000 0.000 0.330 218 Y C 1.124 177.067 175.900 0.071 0.000 1.082 218 Y CA -0.232 57.919 58.100 0.085 0.000 1.158 218 Y CB 2.006 40.529 38.460 0.106 0.000 1.333 218 Y HN 0.817 nan 8.280 nan 0.000 0.519 219 T N -0.455 114.278 114.554 0.298 0.000 3.400 219 T HA 0.368 4.718 4.350 -0.000 0.000 0.362 219 T C -0.466 174.336 174.700 0.170 0.000 1.823 219 T CA -0.777 61.367 62.100 0.074 0.000 1.374 219 T CB -1.584 67.326 68.868 0.070 0.000 1.130 219 T HN 0.358 nan 8.240 nan 0.000 0.744 220 F N 0.871 121.020 119.950 0.332 0.000 2.587 220 F HA 0.650 5.177 4.527 -0.000 0.000 0.327 220 F C 0.654 176.465 175.800 0.019 0.000 1.232 220 F CA -1.239 56.749 58.000 -0.020 0.000 1.353 220 F CB -0.511 38.353 39.000 -0.226 0.000 1.156 220 F HN 0.574 nan 8.300 nan 0.000 0.599 221 G N -0.668 108.236 108.800 0.174 0.000 3.015 221 G HA2 0.326 4.286 3.960 -0.000 0.000 0.281 221 G HA3 0.326 4.286 3.960 -0.000 0.000 0.281 221 G C -0.150 174.370 174.900 -0.632 0.000 1.386 221 G CA -0.472 44.630 45.100 0.003 0.000 0.959 221 G HN 0.842 nan 8.290 nan 0.000 0.522 222 Q N -0.514 118.707 119.800 -0.966 0.000 2.082 222 Q HA -0.251 4.089 4.340 -0.000 0.000 0.211 222 Q C 2.163 177.884 176.000 -0.465 0.000 1.002 222 Q CA 2.900 58.156 55.803 -0.912 0.000 0.868 222 Q CB -0.178 28.340 28.738 -0.367 0.000 0.931 222 Q HN 0.739 nan 8.270 nan 0.000 0.414 223 D N 0.124 120.334 120.400 -0.317 0.000 2.103 223 D HA -0.240 4.400 4.640 -0.000 0.000 0.190 223 D C 1.959 178.104 176.300 -0.257 0.000 0.997 223 D CA 1.810 55.672 54.000 -0.230 0.000 0.833 223 D CB -0.830 39.857 40.800 -0.187 0.000 0.961 223 D HN 0.469 nan 8.370 nan 0.000 0.447 224 I N 1.158 121.513 120.570 -0.358 0.000 2.194 224 I HA -0.281 3.889 4.170 -0.000 0.000 0.246 224 I C 2.727 178.649 176.117 -0.324 0.000 1.093 224 I CA 1.171 62.205 61.300 -0.443 0.000 1.355 224 I CB -0.374 37.146 38.000 -0.799 0.000 1.046 224 I HN -0.008 nan 8.210 nan 0.000 0.413 225 S N 0.500 116.000 115.700 -0.333 0.000 2.344 225 S HA -0.206 4.264 4.470 -0.000 0.000 0.217 225 S C 1.852 176.424 174.600 -0.047 0.000 1.033 225 S CA 1.430 59.513 58.200 -0.195 0.000 1.017 225 S CB -0.400 62.765 63.200 -0.057 0.000 0.941 225 S HN 0.454 nan 8.310 nan 0.000 0.430 226 E N 0.514 120.672 120.200 -0.071 0.000 2.108 226 E HA -0.201 4.149 4.350 -0.000 0.000 0.203 226 E C 2.197 178.806 176.600 0.015 0.000 1.022 226 E CA 1.807 58.196 56.400 -0.018 0.000 0.823 226 E CB -0.500 29.171 29.700 -0.049 0.000 0.744 226 E HN 0.485 nan 8.360 nan 0.000 0.456 227 T N 0.877 115.421 114.554 -0.017 0.000 2.643 227 T HA -0.175 4.175 4.350 -0.000 0.000 0.264 227 T C 1.532 176.282 174.700 0.084 0.000 1.045 227 T CA 1.168 63.271 62.100 0.005 0.000 1.155 227 T CB -0.573 68.279 68.868 -0.026 0.000 0.863 227 T HN 0.127 nan 8.240 nan 0.000 0.420 228 F N 3.162 123.071 119.950 -0.069 0.000 2.087 228 F HA -0.241 4.286 4.527 -0.000 0.000 0.299 228 F C 2.161 177.934 175.800 -0.044 0.000 1.100 228 F CA 1.251 59.215 58.000 -0.060 0.000 1.226 228 F CB -0.651 38.290 39.000 -0.098 0.000 0.983 228 F HN 0.097 nan 8.300 nan 0.000 0.479 229 N N -0.713 117.991 118.700 0.008 0.000 2.043 229 N HA -0.260 4.480 4.740 -0.000 0.000 0.193 229 N C 2.119 177.591 175.510 -0.064 0.000 1.037 229 N CA 1.655 54.668 53.050 -0.063 0.000 0.851 229 N CB -1.094 37.411 38.487 0.031 0.000 1.027 229 N HN 0.433 nan 8.380 nan 0.000 0.422 230 H N 1.358 120.376 119.070 -0.086 0.000 2.421 230 H HA 0.017 4.573 4.556 -0.000 0.000 0.298 230 H C 1.676 176.944 175.328 -0.100 0.000 1.087 230 H CA 1.435 57.439 56.048 -0.074 0.000 1.330 230 H CB -0.012 29.723 29.762 -0.046 0.000 1.388 230 H HN 0.174 nan 8.280 nan 0.000 0.526 231 A N 1.678 124.552 122.820 0.090 0.000 1.823 231 A HA -0.192 4.128 4.320 -0.000 0.000 0.214 231 A C 2.241 179.757 177.584 -0.113 0.000 1.227 231 A CA 1.591 53.633 52.037 0.008 0.000 0.616 231 A CB -0.671 18.284 19.000 -0.075 0.000 0.874 231 A HN 0.576 nan 8.150 nan 0.000 0.455 232 N N -0.081 118.454 118.700 -0.275 0.000 2.550 232 N HA 0.061 4.801 4.740 -0.000 0.000 0.186 232 N C 0.879 176.264 175.510 -0.208 0.000 1.110 232 N CA 1.131 54.017 53.050 -0.274 0.000 0.912 232 N CB -0.004 38.212 38.487 -0.452 0.000 0.968 232 N HN 0.928 nan 8.380 nan 0.000 0.448 233 G N 1.033 109.715 108.800 -0.196 0.000 2.325 233 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.248 233 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.248 233 G C -0.514 174.312 174.900 -0.124 0.000 1.108 233 G CA -0.441 44.568 45.100 -0.150 0.000 0.881 233 G HN 0.207 nan 8.290 nan 0.000 0.494 234 L N 0.572 121.712 121.223 -0.138 0.000 2.287 234 L HA 0.490 4.830 4.340 -0.000 0.000 0.287 234 L C 1.745 178.607 176.870 -0.013 0.000 1.022 234 L CA -0.027 54.767 54.840 -0.076 0.000 0.814 234 L CB 1.607 43.593 42.059 -0.121 0.000 1.217 234 L HN 0.333 nan 8.230 nan 0.000 0.420 235 T N 3.458 118.027 114.554 0.025 0.000 2.951 235 T HA 0.032 4.382 4.350 -0.000 0.000 0.268 235 T C 0.151 174.896 174.700 0.074 0.000 1.073 235 T CA 0.779 62.910 62.100 0.052 0.000 1.134 235 T CB 0.109 69.024 68.868 0.079 0.000 0.884 235 T HN 0.368 nan 8.240 nan 0.000 0.479 236 L N 0.506 121.783 121.223 0.088 0.000 2.592 236 L HA 0.629 4.969 4.340 -0.000 0.000 0.258 236 L C -1.864 175.107 176.870 0.167 0.000 0.926 236 L CA -0.897 54.012 54.840 0.115 0.000 0.885 236 L CB 1.983 44.076 42.059 0.056 0.000 1.380 236 L HN -0.177 nan 8.230 nan 0.000 0.415 237 V N 3.350 123.388 119.914 0.205 0.000 2.328 237 V HA 0.643 4.763 4.120 -0.000 0.000 0.278 237 V C 0.156 176.352 176.094 0.170 0.000 1.021 237 V CA -0.226 62.237 62.300 0.272 0.000 0.838 237 V CB 1.121 33.150 31.823 0.343 0.000 0.999 237 V HN 0.841 nan 8.190 nan 0.000 0.447 238 S N 5.388 121.153 115.700 0.109 0.000 2.475 238 S HA 0.896 5.366 4.470 -0.000 0.000 0.298 238 S C -0.169 174.422 174.600 -0.015 0.000 1.119 238 S CA -0.650 57.569 58.200 0.032 0.000 1.085 238 S CB 1.001 64.204 63.200 0.005 0.000 1.028 238 S HN 0.938 nan 8.310 nan 0.000 0.489 239 R N 2.548 123.036 120.500 -0.020 0.000 3.317 239 R HA 0.957 5.297 4.340 -0.000 0.000 0.259 239 R C -1.426 174.839 176.300 -0.059 0.000 1.143 239 R CA -0.610 55.460 56.100 -0.050 0.000 0.969 239 R CB 0.158 30.445 30.300 -0.020 0.000 1.465 239 R HN 0.961 nan 8.270 nan 0.000 0.430 240 A N -0.806 121.955 122.820 -0.097 0.000 2.581 240 A HA 0.534 4.854 4.320 -0.000 0.000 0.309 240 A C -1.235 176.249 177.584 -0.165 0.000 1.022 240 A CA 0.145 52.138 52.037 -0.073 0.000 0.833 240 A CB 0.355 19.332 19.000 -0.038 0.000 1.208 240 A HN 1.237 nan 8.150 nan 0.000 0.388 241 H N 0.772 119.701 119.070 -0.236 0.000 2.358 241 H HA 0.142 4.698 4.556 -0.000 0.000 0.165 241 H C -0.532 174.704 175.328 -0.153 0.000 1.039 241 H CA 1.133 56.953 56.048 -0.380 0.000 0.690 241 H CB -0.415 28.845 29.762 -0.838 0.000 1.125 241 H HN 0.812 nan 8.280 nan 0.000 0.480 242 Q N 1.245 120.896 119.800 -0.249 0.000 2.263 242 Q HA 0.344 4.683 4.340 -0.000 0.000 0.266 242 Q C -1.010 174.655 176.000 -0.559 0.000 1.002 242 Q CA -1.450 54.107 55.803 -0.410 0.000 0.790 242 Q CB 2.796 31.331 28.738 -0.338 0.000 1.272 242 Q HN 0.157 nan 8.270 nan 0.000 0.435 243 L N 2.968 123.618 121.223 -0.956 0.000 2.706 243 L HA -0.063 4.277 4.340 -0.000 0.000 0.282 243 L C -0.444 176.066 176.870 -0.601 0.000 1.219 243 L CA 0.663 54.757 54.840 -1.244 0.000 0.935 243 L CB 0.602 42.147 42.059 -0.857 0.000 1.204 243 L HN 0.610 nan 8.230 nan 0.000 0.491 244 V N 4.178 123.821 119.914 -0.451 0.000 2.266 244 V HA 0.245 4.365 4.120 -0.000 0.000 0.271 244 V C 1.215 177.192 176.094 -0.195 0.000 1.032 244 V CA -0.681 61.464 62.300 -0.258 0.000 0.806 244 V CB 0.808 32.508 31.823 -0.204 0.000 1.052 244 V HN 0.995 nan 8.190 nan 0.000 0.449 245 M N 2.300 121.794 119.600 -0.177 0.000 2.191 245 M HA -0.229 4.251 4.480 -0.000 0.000 0.246 245 M C 1.528 177.779 176.300 -0.083 0.000 1.085 245 M CA 2.109 57.341 55.300 -0.113 0.000 1.063 245 M CB -0.355 32.190 32.600 -0.093 0.000 1.336 245 M HN 0.736 nan 8.290 nan 0.000 0.398 246 E N -1.287 118.847 120.200 -0.109 0.000 2.437 246 E HA 0.237 4.587 4.350 -0.000 0.000 0.189 246 E C 1.537 178.115 176.600 -0.037 0.000 1.054 246 E CA 0.717 57.064 56.400 -0.089 0.000 0.874 246 E CB -0.381 29.228 29.700 -0.152 0.000 1.011 246 E HN 0.708 nan 8.360 nan 0.000 0.474 247 G N 1.392 110.175 108.800 -0.028 0.000 2.383 247 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.229 247 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.229 247 G C -0.031 174.926 174.900 0.095 0.000 1.089 247 G CA 0.448 45.565 45.100 0.029 0.000 0.640 247 G HN 0.302 nan 8.290 nan 0.000 0.510 248 Y N -0.318 119.812 120.300 -0.285 0.000 2.521 248 Y HA 0.782 5.331 4.550 -0.000 0.000 0.326 248 Y C -1.297 174.317 175.900 -0.476 0.000 1.176 248 Y CA -2.046 55.794 58.100 -0.434 0.000 1.079 248 Y CB 0.381 38.412 38.460 -0.714 0.000 1.341 248 Y HN 0.263 nan 8.280 nan 0.000 0.456 249 N N 1.616 119.932 118.700 -0.639 0.000 2.242 249 N HA 0.561 5.301 4.740 -0.000 0.000 0.292 249 N C -2.156 173.086 175.510 -0.448 0.000 1.125 249 N CA -0.545 52.156 53.050 -0.582 0.000 0.783 249 N CB 1.903 40.197 38.487 -0.323 0.000 1.558 249 N HN 0.731 nan 8.380 nan 0.000 0.472 250 W N 2.224 123.354 121.300 -0.284 0.000 2.438 250 W HA 0.599 5.259 4.660 -0.000 0.000 0.324 250 W C 0.064 176.516 176.519 -0.112 0.000 1.119 250 W CA -0.437 56.818 57.345 -0.151 0.000 1.221 250 W CB 0.985 30.382 29.460 -0.104 0.000 1.253 250 W HN 0.549 nan 8.180 nan 0.000 0.555 251 C N -1.330 118.101 119.300 0.219 0.000 3.332 251 C HA 0.494 4.954 4.460 -0.000 0.000 0.329 251 C C -0.296 174.805 174.990 0.185 0.000 1.434 251 C CA -1.118 57.960 59.018 0.102 0.000 1.314 251 C CB 1.235 28.937 27.740 -0.063 0.000 1.664 251 C HN 0.977 nan 8.230 nan 0.000 0.457 252 H N 0.249 119.373 119.070 0.090 0.000 2.592 252 H HA -0.158 4.398 4.556 -0.000 0.000 0.323 252 H C -0.068 175.291 175.328 0.051 0.000 1.117 252 H CA 1.107 57.194 56.048 0.066 0.000 1.120 252 H CB -1.018 28.788 29.762 0.072 0.000 1.561 252 H HN 1.105 nan 8.280 nan 0.000 0.409 253 D N 0.911 121.393 120.400 0.137 0.000 3.359 253 D HA -0.231 4.409 4.640 -0.000 0.000 0.212 253 D C -0.041 176.283 176.300 0.040 0.000 1.160 253 D CA 1.097 55.128 54.000 0.051 0.000 1.008 253 D CB 0.023 40.839 40.800 0.026 0.000 0.809 253 D HN 0.539 nan 8.370 nan 0.000 0.387 254 R N 1.759 122.253 120.500 -0.009 0.000 2.440 254 R HA -0.285 4.055 4.340 -0.000 0.000 0.212 254 R C 0.424 176.764 176.300 0.066 0.000 0.722 254 R CA 0.694 56.741 56.100 -0.088 0.000 0.482 254 R CB -0.859 29.188 30.300 -0.421 0.000 1.257 254 R HN 0.535 nan 8.270 nan 0.000 0.529 255 N N -0.831 117.981 118.700 0.186 0.000 2.503 255 N HA 0.069 4.808 4.740 -0.000 0.000 0.210 255 N C -0.133 175.511 175.510 0.223 0.000 1.077 255 N CA 0.422 53.577 53.050 0.175 0.000 0.855 255 N CB 0.914 39.492 38.487 0.151 0.000 1.323 255 N HN 0.034 nan 8.380 nan 0.000 0.452 256 V N 1.201 121.267 119.914 0.252 0.000 2.709 256 V HA 0.514 4.633 4.120 -0.000 0.000 0.308 256 V C -1.138 175.066 176.094 0.185 0.000 1.062 256 V CA -0.682 61.735 62.300 0.196 0.000 0.901 256 V CB 2.560 34.462 31.823 0.131 0.000 1.003 256 V HN -0.187 nan 8.190 nan 0.000 0.425 257 V N 5.137 125.098 119.914 0.078 0.000 2.789 257 V HA 0.735 4.855 4.120 -0.000 0.000 0.311 257 V C -0.190 175.821 176.094 -0.138 0.000 1.073 257 V CA -0.012 62.207 62.300 -0.134 0.000 0.921 257 V CB 2.801 34.312 31.823 -0.520 0.000 1.009 257 V HN 0.968 nan 8.190 nan 0.000 0.426 258 T N 7.518 121.958 114.554 -0.190 0.000 2.859 258 T HA 0.684 5.034 4.350 -0.000 0.000 0.281 258 T C -0.476 174.153 174.700 -0.119 0.000 1.005 258 T CA -0.106 61.918 62.100 -0.128 0.000 1.025 258 T CB 1.100 69.894 68.868 -0.123 0.000 0.977 258 T HN 0.542 nan 8.240 nan 0.000 0.458 259 I N 2.992 123.536 120.570 -0.044 0.000 2.493 259 I HA 0.352 4.522 4.170 -0.000 0.000 0.279 259 I C -1.051 175.085 176.117 0.032 0.000 1.045 259 I CA -0.641 60.658 61.300 -0.001 0.000 1.106 259 I CB 1.012 39.018 38.000 0.011 0.000 1.216 259 I HN 0.486 nan 8.210 nan 0.000 0.459 260 F N 4.308 124.174 119.950 -0.140 0.000 2.404 260 F HA 0.378 4.905 4.527 -0.000 0.000 0.339 260 F C 1.061 176.766 175.800 -0.160 0.000 1.105 260 F CA 0.271 58.172 58.000 -0.166 0.000 1.087 260 F CB 1.735 40.612 39.000 -0.205 0.000 1.143 260 F HN 0.362 nan 8.300 nan 0.000 0.491 261 S N 3.133 118.539 115.700 -0.489 0.000 2.603 261 S HA 0.329 4.799 4.470 -0.000 0.000 0.232 261 S C 0.262 174.721 174.600 -0.235 0.000 1.016 261 S CA 0.007 58.035 58.200 -0.286 0.000 0.976 261 S CB 0.422 63.545 63.200 -0.127 0.000 0.921 261 S HN 0.645 nan 8.310 nan 0.000 0.516 262 A N 4.320 126.843 122.820 -0.495 0.000 2.478 262 A HA 0.534 4.854 4.320 -0.000 0.000 0.327 262 A C -2.594 175.105 177.584 0.192 0.000 1.431 262 A CA -1.736 50.222 52.037 -0.132 0.000 1.014 262 A CB -0.025 18.840 19.000 -0.225 0.000 1.143 262 A HN 0.113 nan 8.150 nan 0.000 0.532 263 P HA 0.042 nan 4.420 nan 0.000 0.271 263 P C 0.208 177.696 177.300 0.314 0.000 1.218 263 P CA 0.080 63.324 63.100 0.239 0.000 0.780 263 P CB 0.540 32.394 31.700 0.257 0.000 0.901 264 N N 1.042 119.901 118.700 0.265 0.000 2.661 264 N HA -0.285 4.455 4.740 -0.000 0.000 0.249 264 N C -0.380 175.335 175.510 0.343 0.000 1.142 264 N CA 0.561 53.770 53.050 0.265 0.000 0.727 264 N CB -2.344 36.291 38.487 0.247 0.000 1.099 264 N HN 0.604 nan 8.380 nan 0.000 0.558 265 Y N -0.204 120.228 120.300 0.219 0.000 3.226 265 Y HA -0.374 4.176 4.550 -0.000 0.000 0.383 265 Y C 1.675 177.607 175.900 0.053 0.000 1.103 265 Y CA 0.854 59.070 58.100 0.194 0.000 1.525 265 Y CB -0.045 38.554 38.460 0.231 0.000 0.990 265 Y HN 0.485 nan 8.280 nan 0.000 0.593 266 C N 4.548 123.583 119.300 -0.441 0.000 4.167 266 C HA -0.333 4.127 4.460 -0.000 0.000 0.293 266 C C 0.558 175.363 174.990 -0.308 0.000 1.489 266 C CA 0.978 59.604 59.018 -0.654 0.000 2.041 266 C CB -3.349 23.924 27.740 -0.778 0.000 1.287 266 C HN 1.127 nan 8.230 nan 0.000 0.791 267 Y N -2.866 117.446 120.300 0.020 0.000 4.324 267 Y HA -0.360 4.190 4.550 -0.000 0.000 0.224 267 Y C 1.589 177.500 175.900 0.018 0.000 1.113 267 Y CA 0.698 58.825 58.100 0.045 0.000 1.887 267 Y CB -0.997 37.482 38.460 0.032 0.000 1.602 267 Y HN 0.622 nan 8.280 nan 0.000 0.654 268 R N -2.080 118.492 120.500 0.120 0.000 2.562 268 R HA 0.165 4.505 4.340 -0.000 0.000 0.191 268 R C 1.700 178.038 176.300 0.063 0.000 0.835 268 R CA 0.809 56.947 56.100 0.064 0.000 1.036 268 R CB -0.689 29.609 30.300 -0.003 0.000 1.437 268 R HN 0.340 nan 8.270 nan 0.000 0.654 269 C N 1.014 120.360 119.300 0.078 0.000 2.411 269 C HA 0.034 4.494 4.460 -0.000 0.000 0.279 269 C C 1.471 176.506 174.990 0.075 0.000 1.288 269 C CA 1.219 60.288 59.018 0.085 0.000 1.764 269 C CB -1.161 26.668 27.740 0.148 0.000 1.974 269 C HN 0.817 nan 8.230 nan 0.000 0.498 270 G N 2.500 111.361 108.800 0.102 0.000 2.298 270 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.287 270 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.287 270 G C -0.333 174.604 174.900 0.061 0.000 1.075 270 G CA 0.394 45.542 45.100 0.080 0.000 0.960 270 G HN 0.778 nan 8.290 nan 0.000 0.502 271 N N -0.552 118.195 118.700 0.078 0.000 2.272 271 N HA 0.460 5.200 4.740 -0.000 0.000 0.305 271 N C -0.030 175.512 175.510 0.054 0.000 1.103 271 N CA -0.851 52.223 53.050 0.041 0.000 0.791 271 N CB 1.304 39.797 38.487 0.011 0.000 1.356 271 N HN 0.439 nan 8.380 nan 0.000 0.486 272 Q N 0.150 119.960 119.800 0.017 0.000 2.471 272 Q HA 0.579 4.919 4.340 -0.000 0.000 0.223 272 Q C -0.501 175.461 176.000 -0.063 0.000 1.045 272 Q CA -0.510 55.287 55.803 -0.010 0.000 0.956 272 Q CB 0.825 29.556 28.738 -0.011 0.000 1.249 272 Q HN 0.783 nan 8.270 nan 0.000 0.549 273 A N -0.108 122.565 122.820 -0.244 0.000 2.475 273 A HA 0.850 5.170 4.320 -0.000 0.000 0.301 273 A C -1.482 175.687 177.584 -0.692 0.000 1.059 273 A CA -0.224 51.589 52.037 -0.375 0.000 0.710 273 A CB 1.846 20.595 19.000 -0.418 0.000 1.288 273 A HN 0.716 nan 8.150 nan 0.000 0.408 274 A N 0.695 123.252 122.820 -0.439 0.000 2.564 274 A HA 0.927 5.247 4.320 -0.000 0.000 0.288 274 A C -0.706 176.768 177.584 -0.182 0.000 1.164 274 A CA -0.192 51.634 52.037 -0.352 0.000 0.712 274 A CB 0.950 19.833 19.000 -0.195 0.000 1.303 274 A HN 2.002 nan 8.150 nan 0.000 0.418 275 I N -2.471 118.061 120.570 -0.062 0.000 2.969 275 I HA 0.748 4.918 4.170 -0.000 0.000 0.307 275 I C -0.853 175.236 176.117 -0.047 0.000 1.149 275 I CA -0.976 60.314 61.300 -0.018 0.000 1.008 275 I CB 2.287 40.306 38.000 0.032 0.000 1.232 275 I HN 0.771 nan 8.210 nan 0.000 0.435 276 M N 3.399 122.926 119.600 -0.122 0.000 2.227 276 M HA 0.486 4.966 4.480 -0.000 0.000 0.335 276 M C -1.180 174.920 176.300 -0.334 0.000 1.053 276 M CA -0.192 54.871 55.300 -0.396 0.000 0.973 276 M CB 1.597 33.911 32.600 -0.476 0.000 1.623 276 M HN 0.680 nan 8.290 nan 0.000 0.434 277 E N 5.205 125.195 120.200 -0.350 0.000 2.216 277 E HA 0.469 4.819 4.350 -0.000 0.000 0.279 277 E C -1.302 175.175 176.600 -0.204 0.000 0.997 277 E CA -0.593 55.660 56.400 -0.245 0.000 0.817 277 E CB 1.954 31.538 29.700 -0.194 0.000 1.096 277 E HN 0.678 nan 8.360 nan 0.000 0.393 278 L N 4.280 125.413 121.223 -0.149 0.000 2.353 278 L HA 0.188 4.528 4.340 -0.000 0.000 0.270 278 L C 0.511 177.340 176.870 -0.068 0.000 1.003 278 L CA -0.863 53.929 54.840 -0.080 0.000 0.862 278 L CB 0.649 42.674 42.059 -0.057 0.000 1.221 278 L HN 0.656 nan 8.230 nan 0.000 0.430 279 D N 1.446 121.813 120.400 -0.055 0.000 2.169 279 D HA -0.111 4.529 4.640 -0.000 0.000 0.253 279 D C 0.317 176.596 176.300 -0.035 0.000 1.257 279 D CA 0.004 53.973 54.000 -0.052 0.000 0.976 279 D CB 0.878 41.650 40.800 -0.048 0.000 1.195 279 D HN 0.377 nan 8.370 nan 0.000 0.534 280 D N -1.503 118.878 120.400 -0.032 0.000 2.264 280 D HA -0.058 4.582 4.640 -0.000 0.000 0.208 280 D C 0.926 177.218 176.300 -0.014 0.000 0.966 280 D CA 1.711 55.697 54.000 -0.023 0.000 0.864 280 D CB -0.278 40.508 40.800 -0.023 0.000 0.933 280 D HN 0.571 nan 8.370 nan 0.000 0.499 281 T N -1.933 112.612 114.554 -0.015 0.000 3.374 281 T HA 0.319 4.669 4.350 -0.000 0.000 0.267 281 T C 0.518 175.221 174.700 0.005 0.000 0.996 281 T CA -0.586 61.509 62.100 -0.008 0.000 0.977 281 T CB -0.836 68.020 68.868 -0.020 0.000 1.149 281 T HN 0.066 nan 8.240 nan 0.000 0.517 282 L N 0.569 121.807 121.223 0.025 0.000 3.895 282 L HA -0.174 4.166 4.340 -0.000 0.000 0.511 282 L C -0.220 176.717 176.870 0.112 0.000 1.222 282 L CA 0.498 55.386 54.840 0.081 0.000 0.739 282 L CB -0.962 41.166 42.059 0.116 0.000 1.425 282 L HN 0.441 nan 8.230 nan 0.000 0.817 283 K N 1.147 121.571 120.400 0.040 0.000 2.159 283 K HA 0.408 4.728 4.320 -0.000 0.000 0.266 283 K C -0.312 176.344 176.600 0.093 0.000 0.975 283 K CA -0.484 55.773 56.287 -0.051 0.000 0.865 283 K CB 1.035 33.478 32.500 -0.094 0.000 1.087 283 K HN 0.138 nan 8.250 nan 0.000 0.446 284 Y N 1.189 121.473 120.300 -0.028 0.000 2.486 284 Y HA 0.116 4.666 4.550 -0.000 0.000 0.348 284 Y C 0.600 176.423 175.900 -0.128 0.000 1.000 284 Y CA -0.824 57.225 58.100 -0.086 0.000 1.253 284 Y CB 0.419 38.985 38.460 0.177 0.000 1.140 284 Y HN 0.381 nan 8.280 nan 0.000 0.526 285 S N 3.289 118.873 115.700 -0.194 0.000 2.733 285 S HA 0.570 5.040 4.470 -0.000 0.000 0.294 285 S C -1.200 173.173 174.600 -0.379 0.000 1.149 285 S CA -0.836 57.269 58.200 -0.159 0.000 1.034 285 S CB 0.432 63.573 63.200 -0.098 0.000 1.015 285 S HN 0.420 nan 8.310 nan 0.000 0.486 286 F N 2.586 122.456 119.950 -0.135 0.000 2.404 286 F HA 0.515 5.042 4.527 -0.000 0.000 0.354 286 F C -0.001 175.632 175.800 -0.278 0.000 1.122 286 F CA -0.933 56.842 58.000 -0.376 0.000 1.080 286 F CB 1.332 39.754 39.000 -0.964 0.000 1.131 286 F HN 0.438 nan 8.300 nan 0.000 0.471 287 L N 4.528 125.720 121.223 -0.051 0.000 2.280 287 L HA 0.467 4.807 4.340 -0.000 0.000 0.287 287 L C -0.342 176.529 176.870 0.001 0.000 1.023 287 L CA -0.656 54.188 54.840 0.007 0.000 0.819 287 L CB 1.259 43.343 42.059 0.042 0.000 1.212 287 L HN 0.595 nan 8.230 nan 0.000 0.420 288 Q N 3.196 123.003 119.800 0.012 0.000 2.205 288 Q HA 0.733 5.072 4.340 -0.000 0.000 0.249 288 Q C -1.177 174.872 176.000 0.082 0.000 0.948 288 Q CA -0.539 55.239 55.803 -0.042 0.000 0.895 288 Q CB 2.413 31.159 28.738 0.013 0.000 1.249 288 Q HN 0.484 nan 8.270 nan 0.000 0.458 289 F N -2.100 117.871 119.950 0.035 0.000 2.665 289 F HA 0.464 4.991 4.527 -0.000 0.000 0.308 289 F C -1.375 174.452 175.800 0.046 0.000 1.112 289 F CA -1.323 56.697 58.000 0.032 0.000 0.972 289 F CB 1.068 40.078 39.000 0.016 0.000 1.295 289 F HN 0.279 nan 8.300 nan 0.000 0.440 290 D N 3.146 123.757 120.400 0.352 0.000 2.312 290 D HA 0.291 4.931 4.640 -0.000 0.000 0.248 290 D C -2.504 173.991 176.300 0.325 0.000 1.086 290 D CA -0.899 53.252 54.000 0.252 0.000 0.948 290 D CB 1.428 42.320 40.800 0.154 0.000 1.162 290 D HN 0.379 nan 8.370 nan 0.000 0.446 291 P HA 0.032 nan 4.420 nan 0.000 0.264 291 P C -0.557 176.831 177.300 0.147 0.000 1.193 291 P CA -0.183 63.056 63.100 0.231 0.000 0.763 291 P CB 0.354 32.172 31.700 0.198 0.000 0.810 292 A N 6.714 129.598 122.820 0.107 0.000 2.586 292 A HA 0.159 4.479 4.320 -0.000 0.000 0.231 292 A C -1.595 176.013 177.584 0.040 0.000 1.055 292 A CA -0.748 51.312 52.037 0.038 0.000 0.756 292 A CB -1.281 17.722 19.000 0.004 0.000 0.988 292 A HN 0.488 nan 8.150 nan 0.000 0.509 293 P HA 0.289 nan 4.420 nan 0.000 0.276 293 P C -0.374 176.923 177.300 -0.006 0.000 1.264 293 P CA 0.009 63.116 63.100 0.011 0.000 0.769 293 P CB 0.767 32.469 31.700 0.003 0.000 0.840 294 R N 0.000 120.505 120.500 0.009 0.000 2.786 294 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 294 R CA 0.000 56.105 56.100 0.008 0.000 0.921 294 R CB 0.000 30.331 30.300 0.051 0.000 0.687 294 R HN 0.000 nan 8.270 nan 0.000 0.535