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 3d9g_1_C DATA FIRST_RESID 2 DATA SEQUENCE VDFKLSPSQL EARRHAQAFA NTVLTKASAE YSTQKDQLSR FQATRPFYRE DATA SEQUENCE AVRHGLIKAQ VPIPLGGTME SLVHESIILE ELFAVEPATS ITIVATALGL DATA SEQUENCE MPVILCDSPS LQEKFLKPFI SGEGEPLASL MHSEPNGTAN WLQKGGPGLQ DATA SEQUENCE TTARKVGNEW VISGEKLWPS NSGGWDYKGA DLACVVCRVS DDPSKPQDPN DATA SEQUENCE VDPATQIAVL LVTRETIANN KKDAYQILGE PELAGHITTS GPHTRFTEFH DATA SEQUENCE VPHENLLCTP GLKAQGLVET AFAMSAALVG AMAIGTARAA FEEALVFAKS DATA SEQUENCE DTRGGSKHII EHQSVADKLI DCKIRLETSR LLVWKAVTTL EDEALEWKVK DATA SEQUENCE LEMAMQTKIY TTDVAVECVI DAMKAVGMKS YAKDMSFPRL LNEVMCYPLF DATA SEQUENCE DGGNIGLRRR QMQRVMALED YEPWAATYGS 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 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 175.995 176.094 -0.164 0.000 1.182 2 V CA 0.000 62.211 62.300 -0.149 0.000 1.235 2 V CB 0.000 31.744 31.823 -0.132 0.000 1.184 3 D N 3.337 123.543 120.400 -0.322 0.000 2.937 3 D HA 0.616 5.256 4.640 -0.000 0.000 0.215 3 D C -0.662 175.430 176.300 -0.347 0.000 1.274 3 D CA -0.268 53.617 54.000 -0.193 0.000 0.869 3 D CB 1.771 42.513 40.800 -0.097 0.000 1.675 3 D HN 0.453 nan 8.370 nan 0.000 0.538 4 F N 1.204 121.201 119.950 0.079 0.000 2.706 4 F HA 0.339 4.866 4.527 -0.000 0.000 0.313 4 F C 0.918 176.804 175.800 0.144 0.000 1.096 4 F CA -0.467 57.620 58.000 0.144 0.000 1.219 4 F CB 0.540 39.625 39.000 0.143 0.000 1.051 4 F HN -0.036 nan 8.300 nan 0.000 0.568 5 K N 1.895 122.416 120.400 0.203 0.000 2.326 5 K HA 0.366 4.686 4.320 -0.000 0.000 0.275 5 K C -0.283 176.361 176.600 0.072 0.000 1.018 5 K CA -0.124 56.246 56.287 0.138 0.000 0.962 5 K CB 1.038 33.591 32.500 0.089 0.000 0.953 5 K HN 0.086 nan 8.250 nan 0.000 0.475 6 L N 1.914 123.173 121.223 0.060 0.000 2.343 6 L HA 0.200 4.540 4.340 -0.000 0.000 0.275 6 L C 0.756 177.613 176.870 -0.023 0.000 1.056 6 L CA -0.574 54.254 54.840 -0.019 0.000 0.804 6 L CB 1.587 43.643 42.059 -0.004 0.000 1.203 6 L HN 0.775 nan 8.230 nan 0.000 0.440 7 S N 1.597 117.260 115.700 -0.061 0.000 2.624 7 S HA 0.296 4.766 4.470 -0.000 0.000 0.263 7 S C -1.952 172.645 174.600 -0.005 0.000 1.287 7 S CA -1.098 57.089 58.200 -0.022 0.000 0.990 7 S CB 1.054 64.248 63.200 -0.011 0.000 0.950 7 S HN 0.411 nan 8.310 nan 0.000 0.561 8 P HA -0.101 nan 4.420 nan 0.000 0.218 8 P C 1.712 179.038 177.300 0.043 0.000 1.148 8 P CA 1.622 64.740 63.100 0.030 0.000 0.822 8 P CB -0.211 31.507 31.700 0.031 0.000 0.784 9 S N -1.037 114.702 115.700 0.065 0.000 2.387 9 S HA -0.163 4.307 4.470 -0.000 0.000 0.226 9 S C 2.038 176.715 174.600 0.130 0.000 1.026 9 S CA 0.753 59.027 58.200 0.123 0.000 0.972 9 S CB -1.171 62.140 63.200 0.185 0.000 0.814 9 S HN 0.173 nan 8.310 nan 0.000 0.477 10 Q N 0.926 120.702 119.800 -0.041 0.000 2.084 10 Q HA 0.091 4.431 4.340 -0.000 0.000 0.202 10 Q C 2.234 178.191 176.000 -0.072 0.000 0.978 10 Q CA 1.466 57.103 55.803 -0.277 0.000 0.844 10 Q CB -0.480 27.982 28.738 -0.459 0.000 0.898 10 Q HN 0.537 nan 8.270 nan 0.000 0.426 11 L N 0.288 121.504 121.223 -0.012 0.000 2.093 11 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 11 L C 2.432 179.343 176.870 0.068 0.000 1.085 11 L CA 1.046 55.909 54.840 0.037 0.000 0.755 11 L CB -0.249 41.835 42.059 0.041 0.000 0.904 11 L HN 0.210 nan 8.230 nan 0.000 0.435 12 E N 0.630 120.874 120.200 0.074 0.000 2.072 12 E HA -0.184 4.166 4.350 -0.000 0.000 0.191 12 E C 2.125 178.807 176.600 0.137 0.000 0.985 12 E CA 1.421 57.881 56.400 0.100 0.000 0.801 12 E CB -0.120 29.629 29.700 0.082 0.000 0.750 12 E HN 0.335 nan 8.360 nan 0.000 0.452 13 A N 1.174 124.070 122.820 0.126 0.000 1.892 13 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 13 A C 2.339 180.025 177.584 0.169 0.000 1.188 13 A CA 1.971 54.097 52.037 0.149 0.000 0.631 13 A CB -0.702 18.396 19.000 0.164 0.000 0.822 13 A HN 0.294 nan 8.150 nan 0.000 0.447 14 R N -0.755 119.824 120.500 0.131 0.000 2.070 14 R HA -0.162 4.178 4.340 -0.000 0.000 0.232 14 R C 2.548 178.936 176.300 0.147 0.000 1.138 14 R CA 1.637 57.819 56.100 0.136 0.000 0.936 14 R CB -0.381 29.988 30.300 0.115 0.000 0.839 14 R HN 0.551 nan 8.270 nan 0.000 0.429 15 R N -0.244 120.338 120.500 0.137 0.000 2.094 15 R HA -0.244 4.096 4.340 -0.000 0.000 0.239 15 R C 2.435 178.830 176.300 0.159 0.000 1.137 15 R CA 2.162 58.340 56.100 0.131 0.000 0.943 15 R CB -0.793 29.579 30.300 0.119 0.000 0.850 15 R HN 0.502 nan 8.270 nan 0.000 0.433 16 H N -0.008 119.128 119.070 0.110 0.000 2.319 16 H HA -0.107 4.449 4.556 -0.000 0.000 0.299 16 H C 1.698 177.125 175.328 0.165 0.000 1.092 16 H CA 2.012 58.141 56.048 0.135 0.000 1.302 16 H CB -0.025 29.806 29.762 0.114 0.000 1.373 16 H HN 0.395 nan 8.280 nan 0.000 0.497 17 A N 0.989 123.949 122.820 0.234 0.000 1.898 17 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 17 A C 2.492 180.173 177.584 0.162 0.000 1.181 17 A CA 1.485 53.645 52.037 0.206 0.000 0.620 17 A CB -0.608 18.522 19.000 0.217 0.000 0.819 17 A HN 0.573 nan 8.150 nan 0.000 0.442 18 Q N -0.575 119.301 119.800 0.127 0.000 2.045 18 Q HA -0.198 4.142 4.340 -0.000 0.000 0.206 18 Q C 2.475 178.506 176.000 0.050 0.000 0.991 18 Q CA 1.666 57.522 55.803 0.088 0.000 0.851 18 Q CB -0.439 28.348 28.738 0.083 0.000 0.911 18 Q HN 0.684 nan 8.270 nan 0.000 0.418 19 A N 0.599 123.444 122.820 0.042 0.000 1.883 19 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 19 A C 1.890 179.460 177.584 -0.024 0.000 1.186 19 A CA 1.406 53.450 52.037 0.012 0.000 0.624 19 A CB -0.882 18.132 19.000 0.024 0.000 0.822 19 A HN 0.473 nan 8.150 nan 0.000 0.444 20 F N 1.049 120.882 119.950 -0.195 0.000 2.095 20 F HA -0.094 4.433 4.527 -0.000 0.000 0.298 20 F C 2.510 178.217 175.800 -0.155 0.000 1.104 20 F CA 1.345 59.170 58.000 -0.291 0.000 1.232 20 F CB -0.554 38.216 39.000 -0.384 0.000 0.987 20 F HN 0.252 nan 8.300 nan 0.000 0.475 21 A N 0.459 123.209 122.820 -0.116 0.000 1.877 21 A HA -0.255 4.065 4.320 -0.000 0.000 0.216 21 A C 2.025 179.498 177.584 -0.185 0.000 1.186 21 A CA 2.167 54.106 52.037 -0.164 0.000 0.620 21 A CB -1.343 17.661 19.000 0.006 0.000 0.822 21 A HN 0.636 nan 8.150 nan 0.000 0.443 22 N N -0.733 117.901 118.700 -0.109 0.000 2.069 22 N HA -0.151 4.589 4.740 -0.000 0.000 0.191 22 N C 1.850 177.295 175.510 -0.108 0.000 1.031 22 N CA 2.059 55.059 53.050 -0.084 0.000 0.852 22 N CB -0.219 38.245 38.487 -0.038 0.000 1.018 22 N HN 0.715 nan 8.380 nan 0.000 0.423 23 T N -2.652 111.819 114.554 -0.139 0.000 3.031 23 T HA 0.142 4.492 4.350 -0.000 0.000 0.254 23 T C 1.787 176.394 174.700 -0.154 0.000 1.060 23 T CA 0.327 62.359 62.100 -0.113 0.000 1.135 23 T CB -0.072 68.757 68.868 -0.064 0.000 0.896 23 T HN -0.084 nan 8.240 nan 0.000 0.472 24 V N 0.517 120.236 119.914 -0.326 0.000 2.735 24 V HA 0.227 4.347 4.120 -0.000 0.000 0.234 24 V C 2.388 178.367 176.094 -0.192 0.000 1.121 24 V CA 0.193 62.303 62.300 -0.317 0.000 1.160 24 V CB -0.466 30.915 31.823 -0.736 0.000 0.908 24 V HN 0.219 nan 8.190 nan 0.000 0.495 25 L N 1.440 122.416 121.223 -0.411 0.000 2.079 25 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 25 L C 2.851 179.588 176.870 -0.221 0.000 1.081 25 L CA 2.769 57.438 54.840 -0.285 0.000 0.752 25 L CB -1.532 40.372 42.059 -0.258 0.000 0.896 25 L HN 0.680 nan 8.230 nan 0.000 0.433 26 T N -3.490 110.963 114.554 -0.169 0.000 2.869 26 T HA -0.245 4.105 4.350 -0.000 0.000 0.270 26 T C 1.688 176.309 174.700 -0.132 0.000 1.082 26 T CA 1.232 63.254 62.100 -0.131 0.000 1.123 26 T CB -0.356 68.454 68.868 -0.097 0.000 0.856 26 T HN 0.337 nan 8.240 nan 0.000 0.499 27 K N 0.830 121.175 120.400 -0.092 0.000 2.426 27 K HA 0.423 4.743 4.320 -0.000 0.000 0.193 27 K C 2.548 179.041 176.600 -0.179 0.000 1.028 27 K CA 0.468 56.744 56.287 -0.019 0.000 1.047 27 K CB -0.075 32.539 32.500 0.189 0.000 0.821 27 K HN 0.452 nan 8.250 nan 0.000 0.513 28 A N 1.075 123.555 122.820 -0.567 0.000 1.898 28 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 28 A C 2.247 179.435 177.584 -0.660 0.000 1.181 28 A CA 1.657 53.115 52.037 -0.965 0.000 0.620 28 A CB -0.543 17.930 19.000 -0.879 0.000 0.819 28 A HN 0.220 nan 8.150 nan 0.000 0.442 29 S N -0.188 115.088 115.700 -0.707 0.000 2.374 29 S HA -0.155 4.315 4.470 -0.000 0.000 0.227 29 S C 2.191 176.351 174.600 -0.733 0.000 1.037 29 S CA 1.722 59.247 58.200 -1.124 0.000 1.024 29 S CB -0.511 62.355 63.200 -0.556 0.000 0.861 29 S HN 0.867 nan 8.310 nan 0.000 0.456 30 A N 1.198 123.790 122.820 -0.380 0.000 1.986 30 A HA -0.145 4.175 4.320 -0.000 0.000 0.220 30 A C 2.098 179.583 177.584 -0.165 0.000 1.171 30 A CA 1.832 53.744 52.037 -0.208 0.000 0.640 30 A CB -0.497 18.440 19.000 -0.106 0.000 0.811 30 A HN 0.575 nan 8.150 nan 0.000 0.451 31 E N -0.927 119.178 120.200 -0.157 0.000 2.057 31 E HA -0.078 4.272 4.350 -0.000 0.000 0.190 31 E C 1.963 178.565 176.600 0.004 0.000 0.969 31 E CA 1.544 57.936 56.400 -0.013 0.000 0.812 31 E CB -0.765 29.034 29.700 0.166 0.000 0.777 31 E HN 0.959 nan 8.360 nan 0.000 0.455 32 Y N 0.233 120.530 120.300 -0.004 0.000 2.395 32 Y HA 0.164 4.714 4.550 0.000 0.000 0.293 32 Y C 2.116 178.018 175.900 0.003 0.000 1.123 32 Y CA 0.819 58.924 58.100 0.008 0.000 1.227 32 Y CB -0.392 38.071 38.460 0.004 0.000 1.012 32 Y HN -0.206 nan 8.280 nan 0.000 0.552 33 S N 0.486 116.109 115.700 -0.129 0.000 2.442 33 S HA -0.162 4.308 4.470 -0.000 0.000 0.236 33 S C 1.895 176.501 174.600 0.011 0.000 1.007 33 S CA 1.621 59.802 58.200 -0.032 0.000 0.965 33 S CB -0.674 62.434 63.200 -0.154 0.000 0.773 33 S HN 0.807 nan 8.310 nan 0.000 0.504 34 T N -0.907 113.651 114.554 0.006 0.000 3.088 34 T HA 0.115 4.465 4.350 -0.000 0.000 0.259 34 T C 0.639 175.363 174.700 0.040 0.000 1.122 34 T CA 0.096 62.206 62.100 0.015 0.000 1.095 34 T CB -0.007 68.864 68.868 0.004 0.000 0.930 34 T HN 0.066 nan 8.240 nan 0.000 0.508 35 Q N 1.838 121.680 119.800 0.071 0.000 2.299 35 Q HA 0.293 4.633 4.340 -0.000 0.000 0.246 35 Q C 1.144 177.185 176.000 0.069 0.000 0.935 35 Q CA -0.129 55.720 55.803 0.076 0.000 0.887 35 Q CB 1.695 30.498 28.738 0.107 0.000 1.223 35 Q HN 0.682 nan 8.270 nan 0.000 0.439 36 K N -0.062 120.371 120.400 0.055 0.000 2.305 36 K HA -0.022 4.298 4.320 -0.000 0.000 0.199 36 K C -0.024 176.604 176.600 0.048 0.000 1.047 36 K CA 0.951 57.265 56.287 0.045 0.000 0.976 36 K CB 0.323 32.844 32.500 0.035 0.000 0.765 36 K HN 0.545 nan 8.250 nan 0.000 0.474 37 D N -1.111 119.324 120.400 0.058 0.000 2.615 37 D HA -0.022 4.618 4.640 -0.000 0.000 0.267 37 D C 0.344 176.689 176.300 0.074 0.000 1.236 37 D CA -0.764 53.270 54.000 0.058 0.000 0.839 37 D CB 1.128 41.959 40.800 0.051 0.000 1.380 37 D HN -0.100 nan 8.370 nan 0.000 0.433 38 Q N -0.387 119.454 119.800 0.070 0.000 2.045 38 Q HA -0.122 4.218 4.340 -0.000 0.000 0.206 38 Q C 1.897 177.971 176.000 0.124 0.000 0.991 38 Q CA 1.972 57.823 55.803 0.079 0.000 0.851 38 Q CB -0.490 28.283 28.738 0.058 0.000 0.911 38 Q HN 0.505 nan 8.270 nan 0.000 0.418 39 L N -0.140 121.156 121.223 0.122 0.000 2.012 39 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 39 L C 2.159 179.127 176.870 0.163 0.000 1.073 39 L CA 2.284 57.211 54.840 0.146 0.000 0.748 39 L CB -0.975 41.097 42.059 0.021 0.000 0.891 39 L HN 0.192 nan 8.230 nan 0.000 0.431 40 S N -0.474 115.289 115.700 0.105 0.000 2.370 40 S HA -0.204 4.266 4.470 -0.000 0.000 0.226 40 S C 1.980 176.665 174.600 0.140 0.000 1.033 40 S CA 1.528 59.787 58.200 0.098 0.000 1.011 40 S CB -0.352 62.893 63.200 0.074 0.000 0.852 40 S HN 0.467 nan 8.310 nan 0.000 0.457 41 R N -0.203 120.392 120.500 0.158 0.000 2.081 41 R HA -0.054 4.286 4.340 -0.000 0.000 0.235 41 R C 2.095 178.529 176.300 0.224 0.000 1.131 41 R CA 1.410 57.617 56.100 0.179 0.000 0.960 41 R CB -0.534 29.837 30.300 0.119 0.000 0.856 41 R HN 0.381 nan 8.270 nan 0.000 0.436 42 F N 2.423 122.427 119.950 0.090 0.000 2.065 42 F HA -0.269 4.258 4.527 0.000 0.000 0.298 42 F C 2.222 178.202 175.800 0.299 0.000 1.112 42 F CA 1.760 59.853 58.000 0.156 0.000 1.212 42 F CB -0.497 38.567 39.000 0.106 0.000 0.975 42 F HN -0.019 nan 8.300 nan 0.000 0.476 43 Q N -0.035 119.855 119.800 0.150 0.000 2.112 43 Q HA -0.216 4.124 4.340 -0.000 0.000 0.206 43 Q C 2.329 178.335 176.000 0.012 0.000 0.987 43 Q CA 1.804 57.633 55.803 0.042 0.000 0.858 43 Q CB -0.661 28.112 28.738 0.058 0.000 0.905 43 Q HN 0.530 nan 8.270 nan 0.000 0.420 44 A N -0.091 122.789 122.820 0.100 0.000 2.186 44 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 44 A C 2.015 179.747 177.584 0.247 0.000 1.159 44 A CA 1.614 53.742 52.037 0.151 0.000 0.680 44 A CB -0.416 18.700 19.000 0.194 0.000 0.787 44 A HN 0.279 nan 8.150 nan 0.000 0.467 45 T N -1.729 112.957 114.554 0.220 0.000 3.065 45 T HA 0.053 4.403 4.350 -0.000 0.000 0.252 45 T C 1.879 176.760 174.700 0.301 0.000 1.099 45 T CA 0.528 62.829 62.100 0.336 0.000 1.063 45 T CB -0.227 68.810 68.868 0.281 0.000 0.948 45 T HN 0.604 nan 8.240 nan 0.000 0.506 46 R N 1.397 121.833 120.500 -0.107 0.000 2.096 46 R HA -0.095 4.245 4.340 -0.000 0.000 0.240 46 R C -0.997 175.145 176.300 -0.262 0.000 1.139 46 R CA 1.785 57.492 56.100 -0.655 0.000 0.952 46 R CB -0.899 28.680 30.300 -1.202 0.000 0.854 46 R HN 0.287 nan 8.270 nan 0.000 0.436 47 P HA -0.139 nan 4.420 nan 0.000 0.219 47 P C 0.462 177.584 177.300 -0.298 0.000 1.146 47 P CA 1.395 64.317 63.100 -0.297 0.000 0.808 47 P CB -0.049 31.375 31.700 -0.460 0.000 0.779 48 F N -3.577 116.421 119.950 0.080 0.000 2.387 48 F HA 0.003 4.530 4.527 0.000 0.000 0.294 48 F C 2.383 178.357 175.800 0.289 0.000 1.093 48 F CA 0.516 58.609 58.000 0.155 0.000 1.420 48 F CB -1.147 37.932 39.000 0.131 0.000 1.086 48 F HN -0.147 nan 8.300 nan 0.000 0.531 49 Y N 1.097 121.605 120.300 0.345 0.000 2.242 49 Y HA -0.161 4.389 4.550 -0.000 0.000 0.291 49 Y C 2.737 178.768 175.900 0.218 0.000 1.137 49 Y CA 1.383 59.682 58.100 0.332 0.000 1.181 49 Y CB -0.285 38.455 38.460 0.466 0.000 0.989 49 Y HN -0.148 nan 8.280 nan 0.000 0.527 50 R N 0.307 120.942 120.500 0.225 0.000 2.097 50 R HA -0.213 4.127 4.340 -0.000 0.000 0.236 50 R C 2.034 178.384 176.300 0.084 0.000 1.135 50 R CA 2.056 58.209 56.100 0.089 0.000 0.934 50 R CB -0.254 30.036 30.300 -0.018 0.000 0.846 50 R HN 0.345 nan 8.270 nan 0.000 0.431 51 E N -0.094 120.187 120.200 0.136 0.000 2.153 51 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 51 E C 1.782 178.588 176.600 0.344 0.000 0.988 51 E CA 1.154 57.716 56.400 0.270 0.000 0.811 51 E CB -0.184 29.689 29.700 0.288 0.000 0.746 51 E HN 0.425 nan 8.360 nan 0.000 0.466 52 A N 0.840 123.773 122.820 0.189 0.000 1.898 52 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 52 A C 2.611 180.084 177.584 -0.184 0.000 1.181 52 A CA 1.345 53.250 52.037 -0.221 0.000 0.620 52 A CB -0.625 18.245 19.000 -0.217 0.000 0.819 52 A HN 0.137 nan 8.150 nan 0.000 0.442 53 V N -0.037 119.785 119.914 -0.153 0.000 2.287 53 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 53 V C 2.642 178.729 176.094 -0.011 0.000 1.053 53 V CA 2.347 64.590 62.300 -0.095 0.000 1.027 53 V CB -0.793 30.997 31.823 -0.056 0.000 0.646 53 V HN 0.604 nan 8.190 nan 0.000 0.447 54 R N -0.856 119.670 120.500 0.043 0.000 2.096 54 R HA -0.160 4.180 4.340 -0.000 0.000 0.235 54 R C 2.106 178.418 176.300 0.020 0.000 1.127 54 R CA 1.510 57.635 56.100 0.042 0.000 0.968 54 R CB -0.200 30.142 30.300 0.069 0.000 0.861 54 R HN 0.605 nan 8.270 nan 0.000 0.440 55 H N -1.427 117.642 119.070 -0.002 0.000 2.556 55 H HA 0.147 4.703 4.556 0.000 0.000 0.268 55 H C 0.980 176.320 175.328 0.021 0.000 0.996 55 H CA 0.897 56.968 56.048 0.038 0.000 1.157 55 H CB 0.506 30.234 29.762 -0.057 0.000 1.355 55 H HN 0.535 nan 8.280 nan 0.000 0.597 56 G N 0.091 108.911 108.800 0.034 0.000 2.143 56 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.249 56 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.249 56 G C 1.021 175.897 174.900 -0.039 0.000 0.981 56 G CA 0.498 45.588 45.100 -0.016 0.000 0.665 56 G HN 0.444 nan 8.290 nan 0.000 0.528 57 L N -0.854 120.325 121.223 -0.073 0.000 2.240 57 L HA 0.162 4.502 4.340 -0.000 0.000 0.211 57 L C 2.694 179.532 176.870 -0.052 0.000 1.106 57 L CA 0.729 55.515 54.840 -0.090 0.000 0.793 57 L CB -0.239 41.696 42.059 -0.207 0.000 0.927 57 L HN 0.318 nan 8.230 nan 0.000 0.446 58 I N -0.214 120.323 120.570 -0.054 0.000 2.333 58 I HA -0.212 3.958 4.170 -0.000 0.000 0.246 58 I C 2.499 178.657 176.117 0.069 0.000 1.106 58 I CA 1.256 62.572 61.300 0.026 0.000 1.411 58 I CB -0.345 37.680 38.000 0.041 0.000 1.082 58 I HN 0.087 nan 8.210 nan 0.000 0.420 59 K N 0.998 121.425 120.400 0.044 0.000 2.147 59 K HA -0.130 4.190 4.320 -0.000 0.000 0.205 59 K C 2.029 178.636 176.600 0.011 0.000 1.049 59 K CA 1.326 57.637 56.287 0.040 0.000 0.936 59 K CB -0.111 32.399 32.500 0.016 0.000 0.722 59 K HN 0.317 nan 8.250 nan 0.000 0.446 60 A N 0.541 123.356 122.820 -0.008 0.000 2.216 60 A HA -0.088 4.232 4.320 -0.000 0.000 0.214 60 A C 1.476 179.056 177.584 -0.006 0.000 1.160 60 A CA 0.813 52.837 52.037 -0.022 0.000 0.725 60 A CB -0.108 18.872 19.000 -0.032 0.000 0.784 60 A HN 0.315 nan 8.150 nan 0.000 0.472 61 Q N -0.556 119.250 119.800 0.010 0.000 2.403 61 Q HA 0.159 4.499 4.340 -0.000 0.000 0.203 61 Q C -0.226 175.769 176.000 -0.009 0.000 0.932 61 Q CA 0.399 56.206 55.803 0.007 0.000 0.945 61 Q CB -0.013 28.736 28.738 0.020 0.000 1.045 61 Q HN 0.379 nan 8.270 nan 0.000 0.511 62 V N 2.353 122.265 119.914 -0.003 0.000 2.540 62 V HA 0.326 4.446 4.120 -0.000 0.000 0.302 62 V C -2.332 173.753 176.094 -0.014 0.000 1.035 62 V CA -2.279 60.018 62.300 -0.005 0.000 0.873 62 V CB 1.962 33.800 31.823 0.024 0.000 0.992 62 V HN -0.047 nan 8.190 nan 0.000 0.428 63 P HA 0.219 nan 4.420 nan 0.000 0.268 63 P C 1.022 178.308 177.300 -0.024 0.000 1.208 63 P CA 0.121 63.205 63.100 -0.027 0.000 0.777 63 P CB 0.777 32.463 31.700 -0.024 0.000 0.875 64 I N 3.177 123.727 120.570 -0.035 0.000 2.226 64 I HA -0.166 4.004 4.170 -0.000 0.000 0.245 64 I C -0.626 175.478 176.117 -0.021 0.000 1.100 64 I CA 1.635 62.915 61.300 -0.033 0.000 1.374 64 I CB -1.666 36.307 38.000 -0.046 0.000 1.057 64 I HN 0.435 nan 8.210 nan 0.000 0.413 65 P HA -0.113 nan 4.420 nan 0.000 0.223 65 P C 1.243 178.540 177.300 -0.006 0.000 1.144 65 P CA 1.297 64.389 63.100 -0.013 0.000 0.783 65 P CB 0.004 31.697 31.700 -0.013 0.000 0.771 66 L N -2.753 118.468 121.223 -0.003 0.000 2.769 66 L HA 0.380 4.720 4.340 -0.000 0.000 0.240 66 L C 1.322 178.201 176.870 0.015 0.000 1.163 66 L CA 0.385 55.229 54.840 0.007 0.000 0.962 66 L CB -0.394 41.671 42.059 0.009 0.000 1.258 66 L HN 0.092 nan 8.230 nan 0.000 0.513 67 G N -0.314 108.490 108.800 0.006 0.000 2.176 67 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.232 67 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.232 67 G C 0.514 175.420 174.900 0.009 0.000 0.986 67 G CA -0.197 44.908 45.100 0.009 0.000 0.643 67 G HN 0.490 nan 8.290 nan 0.000 0.522 68 G N -0.991 107.812 108.800 0.005 0.000 2.532 68 G HA2 0.634 4.594 3.960 -0.000 0.000 0.291 68 G HA3 0.634 4.594 3.960 -0.000 0.000 0.291 68 G C 0.918 175.805 174.900 -0.021 0.000 1.349 68 G CA 1.025 46.126 45.100 0.002 0.000 1.038 68 G HN 1.184 nan 8.290 nan 0.000 0.518 69 T N -2.758 111.776 114.554 -0.033 0.000 3.170 69 T HA 0.296 4.646 4.350 -0.000 0.000 0.288 69 T C 0.856 175.505 174.700 -0.085 0.000 0.992 69 T CA -0.250 61.813 62.100 -0.060 0.000 0.909 69 T CB -0.203 68.627 68.868 -0.064 0.000 1.133 69 T HN 0.388 nan 8.240 nan 0.000 0.530 70 M N 2.586 122.144 119.600 -0.070 0.000 2.390 70 M HA 0.141 4.621 4.480 -0.000 0.000 0.353 70 M C 0.932 177.146 176.300 -0.144 0.000 1.623 70 M CA 0.533 55.782 55.300 -0.086 0.000 1.065 70 M CB 0.483 33.053 32.600 -0.051 0.000 2.025 70 M HN 0.204 nan 8.290 nan 0.000 0.461 71 E N 2.348 122.392 120.200 -0.261 0.000 2.086 71 E HA 0.015 4.365 4.350 -0.000 0.000 0.190 71 E C 0.247 176.644 176.600 -0.338 0.000 0.975 71 E CA 0.829 56.961 56.400 -0.446 0.000 0.813 71 E CB 0.252 29.363 29.700 -0.981 0.000 0.768 71 E HN 0.857 nan 8.360 nan 0.000 0.457 72 S N -1.272 114.307 115.700 -0.201 0.000 2.655 72 S HA 0.170 4.640 4.470 -0.000 0.000 0.266 72 S C 0.022 174.652 174.600 0.049 0.000 1.149 72 S CA -0.777 57.426 58.200 0.006 0.000 0.818 72 S CB 0.663 63.933 63.200 0.117 0.000 1.130 72 S HN -0.028 nan 8.310 nan 0.000 0.476 73 L N 1.307 122.546 121.223 0.026 0.000 2.291 73 L HA 0.197 4.537 4.340 -0.000 0.000 0.214 73 L C 2.484 179.346 176.870 -0.013 0.000 1.120 73 L CA 1.203 56.053 54.840 0.016 0.000 0.799 73 L CB -1.005 41.063 42.059 0.014 0.000 0.925 73 L HN 0.722 nan 8.230 nan 0.000 0.446 74 V N -1.260 118.604 119.914 -0.084 0.000 2.379 74 V HA -0.275 3.845 4.120 -0.000 0.000 0.245 74 V C 2.406 178.349 176.094 -0.251 0.000 1.044 74 V CA 1.383 63.492 62.300 -0.318 0.000 1.036 74 V CB -0.673 30.815 31.823 -0.558 0.000 0.664 74 V HN 0.441 nan 8.190 nan 0.000 0.453 75 H N 0.150 119.120 119.070 -0.167 0.000 2.319 75 H HA -0.214 4.342 4.556 -0.000 0.000 0.297 75 H C 2.302 177.613 175.328 -0.028 0.000 1.097 75 H CA 2.084 58.079 56.048 -0.088 0.000 1.285 75 H CB -0.129 29.593 29.762 -0.066 0.000 1.368 75 H HN 0.460 nan 8.280 nan 0.000 0.495 76 E N 0.391 120.658 120.200 0.112 0.000 2.051 76 E HA -0.145 4.205 4.350 -0.000 0.000 0.192 76 E C 2.267 178.925 176.600 0.098 0.000 0.991 76 E CA 1.670 58.123 56.400 0.088 0.000 0.799 76 E CB -0.197 29.539 29.700 0.060 0.000 0.748 76 E HN 0.290 nan 8.360 nan 0.000 0.449 77 S N -0.256 115.495 115.700 0.085 0.000 2.382 77 S HA -0.106 4.364 4.470 -0.000 0.000 0.228 77 S C 1.944 176.668 174.600 0.206 0.000 1.027 77 S CA 1.210 59.500 58.200 0.149 0.000 0.991 77 S CB -0.305 63.019 63.200 0.207 0.000 0.823 77 S HN 0.289 nan 8.310 nan 0.000 0.469 78 I N 1.024 121.690 120.570 0.160 0.000 2.202 78 I HA -0.157 4.013 4.170 -0.000 0.000 0.242 78 I C 2.006 178.230 176.117 0.177 0.000 1.091 78 I CA 1.109 62.520 61.300 0.185 0.000 1.368 78 I CB -0.313 37.739 38.000 0.086 0.000 1.058 78 I HN 0.235 nan 8.210 nan 0.000 0.410 79 I N 0.371 121.037 120.570 0.160 0.000 2.179 79 I HA -0.313 3.857 4.170 -0.000 0.000 0.242 79 I C 2.430 178.677 176.117 0.218 0.000 1.088 79 I CA 1.510 62.918 61.300 0.180 0.000 1.357 79 I CB -0.312 37.784 38.000 0.161 0.000 1.051 79 I HN 0.178 nan 8.210 nan 0.000 0.409 80 L N 0.252 121.607 121.223 0.219 0.000 2.042 80 L HA -0.257 4.083 4.340 -0.000 0.000 0.210 80 L C 2.621 179.690 176.870 0.331 0.000 1.076 80 L CA 1.587 56.602 54.840 0.292 0.000 0.749 80 L CB -0.675 41.488 42.059 0.172 0.000 0.893 80 L HN 0.343 nan 8.230 nan 0.000 0.432 81 E N 0.119 120.457 120.200 0.230 0.000 2.058 81 E HA -0.247 4.103 4.350 -0.000 0.000 0.194 81 E C 2.044 178.783 176.600 0.231 0.000 0.997 81 E CA 1.334 57.861 56.400 0.212 0.000 0.801 81 E CB 0.159 29.966 29.700 0.178 0.000 0.746 81 E HN 0.389 nan 8.360 nan 0.000 0.450 82 E N 0.268 120.595 120.200 0.212 0.000 2.110 82 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 82 E C 2.155 178.864 176.600 0.182 0.000 0.988 82 E CA 0.567 57.075 56.400 0.181 0.000 0.804 82 E CB -0.176 29.624 29.700 0.166 0.000 0.745 82 E HN 0.262 nan 8.360 nan 0.000 0.458 83 L N -0.389 120.968 121.223 0.224 0.000 2.056 83 L HA -0.083 4.257 4.340 -0.000 0.000 0.207 83 L C 2.187 179.092 176.870 0.058 0.000 1.078 83 L CA 1.399 56.334 54.840 0.158 0.000 0.749 83 L CB -0.769 41.403 42.059 0.187 0.000 0.901 83 L HN 0.044 nan 8.230 nan 0.000 0.433 84 F N -0.826 119.204 119.950 0.135 0.000 2.367 84 F HA 0.014 4.541 4.527 0.000 0.000 0.298 84 F C 2.356 178.223 175.800 0.113 0.000 1.094 84 F CA 0.733 58.816 58.000 0.138 0.000 1.409 84 F CB -0.719 38.365 39.000 0.140 0.000 1.064 84 F HN 0.029 nan 8.300 nan 0.000 0.528 85 A N -0.545 122.416 122.820 0.236 0.000 2.076 85 A HA -0.095 4.225 4.320 -0.000 0.000 0.220 85 A C 2.103 179.735 177.584 0.080 0.000 1.160 85 A CA 2.067 54.193 52.037 0.148 0.000 0.653 85 A CB -0.758 18.322 19.000 0.134 0.000 0.801 85 A HN 0.223 nan 8.150 nan 0.000 0.455 86 V N -1.796 118.150 119.914 0.053 0.000 2.911 86 V HA 0.219 4.339 4.120 -0.000 0.000 0.237 86 V C 0.289 176.364 176.094 -0.032 0.000 1.156 86 V CA 1.065 63.364 62.300 -0.001 0.000 1.180 86 V CB 0.423 32.239 31.823 -0.012 0.000 0.932 86 V HN 0.565 nan 8.190 nan 0.000 0.483 87 E N -0.586 119.576 120.200 -0.063 0.000 2.539 87 E HA 0.269 4.619 4.350 -0.000 0.000 0.332 87 E C -2.636 173.834 176.600 -0.217 0.000 0.910 87 E CA -1.033 55.311 56.400 -0.094 0.000 0.785 87 E CB 1.805 31.458 29.700 -0.078 0.000 1.406 87 E HN 0.029 nan 8.360 nan 0.000 0.391 88 P HA 0.016 nan 4.420 nan 0.000 0.222 88 P C -0.104 177.105 177.300 -0.153 0.000 1.147 88 P CA 0.970 63.835 63.100 -0.393 0.000 0.790 88 P CB 0.204 31.969 31.700 0.109 0.000 0.780 89 A N -0.585 122.180 122.820 -0.091 0.000 2.511 89 A HA 0.244 4.564 4.320 -0.000 0.000 0.242 89 A C 1.328 178.941 177.584 0.047 0.000 1.069 89 A CA 1.202 53.209 52.037 -0.051 0.000 0.763 89 A CB -0.939 17.957 19.000 -0.173 0.000 1.001 89 A HN 0.224 nan 8.150 nan 0.000 0.498 90 T N 1.631 116.297 114.554 0.188 0.000 12.380 90 T HA -0.297 4.053 4.350 -0.000 0.000 0.415 90 T C 1.891 176.772 174.700 0.303 0.000 1.471 90 T CA 2.247 64.552 62.100 0.342 0.000 2.420 90 T CB -1.802 67.304 68.868 0.396 0.000 2.818 90 T HN 0.883 nan 8.240 nan 0.000 0.798 91 S N 0.592 116.359 115.700 0.113 0.000 2.374 91 S HA -0.095 4.375 4.470 -0.000 0.000 0.227 91 S C 1.787 176.515 174.600 0.213 0.000 1.037 91 S CA 1.739 59.946 58.200 0.011 0.000 1.024 91 S CB -0.352 62.501 63.200 -0.577 0.000 0.861 91 S HN 0.566 nan 8.310 nan 0.000 0.456 92 I N 1.726 122.439 120.570 0.238 0.000 2.315 92 I HA -0.149 4.021 4.170 -0.000 0.000 0.248 92 I C 2.067 178.380 176.117 0.327 0.000 1.117 92 I CA 1.450 63.007 61.300 0.428 0.000 1.404 92 I CB -0.708 37.510 38.000 0.363 0.000 1.071 92 I HN 0.184 nan 8.210 nan 0.000 0.419 93 T N 1.065 115.815 114.554 0.326 0.000 2.746 93 T HA -0.118 4.232 4.350 -0.000 0.000 0.267 93 T C 1.998 176.950 174.700 0.419 0.000 1.039 93 T CA 2.028 64.323 62.100 0.326 0.000 1.142 93 T CB -0.417 68.680 68.868 0.382 0.000 0.866 93 T HN 0.329 nan 8.240 nan 0.000 0.444 94 I N 0.585 121.441 120.570 0.477 0.000 2.179 94 I HA -0.134 4.036 4.170 -0.000 0.000 0.242 94 I C 2.572 178.842 176.117 0.256 0.000 1.088 94 I CA 1.017 62.544 61.300 0.379 0.000 1.357 94 I CB -0.460 37.689 38.000 0.248 0.000 1.051 94 I HN 0.098 nan 8.210 nan 0.000 0.409 95 V N 0.643 120.709 119.914 0.254 0.000 2.591 95 V HA -0.109 4.011 4.120 -0.000 0.000 0.249 95 V C 2.555 178.708 176.094 0.098 0.000 1.053 95 V CA 1.685 64.090 62.300 0.174 0.000 1.068 95 V CB -0.060 31.894 31.823 0.219 0.000 0.689 95 V HN 0.417 nan 8.190 nan 0.000 0.462 96 A N -0.884 122.009 122.820 0.122 0.000 1.930 96 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 96 A C 2.321 179.909 177.584 0.008 0.000 1.175 96 A CA 2.438 54.502 52.037 0.045 0.000 0.627 96 A CB -0.989 18.046 19.000 0.059 0.000 0.815 96 A HN 0.511 nan 8.150 nan 0.000 0.443 97 T N 0.209 114.805 114.554 0.070 0.000 2.708 97 T HA -0.045 4.305 4.350 -0.000 0.000 0.266 97 T C 2.249 176.907 174.700 -0.069 0.000 1.037 97 T CA 1.632 63.752 62.100 0.034 0.000 1.146 97 T CB -0.471 68.519 68.868 0.204 0.000 0.865 97 T HN 0.609 nan 8.240 nan 0.000 0.435 98 A N 1.244 124.051 122.820 -0.021 0.000 1.917 98 A HA -0.098 4.222 4.320 -0.000 0.000 0.219 98 A C 2.239 179.751 177.584 -0.121 0.000 1.182 98 A CA 1.674 53.673 52.037 -0.062 0.000 0.633 98 A CB -0.830 18.163 19.000 -0.013 0.000 0.819 98 A HN 0.451 nan 8.150 nan 0.000 0.448 99 L N -0.135 121.008 121.223 -0.133 0.000 2.109 99 L HA 0.082 4.422 4.340 -0.000 0.000 0.207 99 L C 2.312 179.036 176.870 -0.243 0.000 1.086 99 L CA 2.223 56.934 54.840 -0.215 0.000 0.760 99 L CB -0.968 40.935 42.059 -0.259 0.000 0.910 99 L HN 0.263 nan 8.230 nan 0.000 0.437 100 G N -0.511 108.168 108.800 -0.200 0.000 2.470 100 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.220 100 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.220 100 G C 1.496 176.257 174.900 -0.232 0.000 1.121 100 G CA 0.970 45.951 45.100 -0.198 0.000 0.766 100 G HN 0.444 nan 8.290 nan 0.000 0.553 101 L N -0.616 120.451 121.223 -0.260 0.000 2.375 101 L HA 0.217 4.557 4.340 -0.000 0.000 0.215 101 L C 2.852 179.611 176.870 -0.185 0.000 1.108 101 L CA 0.029 54.707 54.840 -0.270 0.000 0.830 101 L CB -0.215 41.648 42.059 -0.326 0.000 0.959 101 L HN 0.191 nan 8.230 nan 0.000 0.457 102 M N 0.286 119.779 119.600 -0.179 0.000 2.082 102 M HA -0.179 4.301 4.480 -0.000 0.000 0.258 102 M C -0.397 175.818 176.300 -0.143 0.000 1.069 102 M CA 2.349 57.558 55.300 -0.151 0.000 1.102 102 M CB -1.168 31.332 32.600 -0.166 0.000 1.336 102 M HN 0.070 nan 8.290 nan 0.000 0.404 103 P HA -0.117 nan 4.420 nan 0.000 0.218 103 P C 1.466 178.694 177.300 -0.120 0.000 1.148 103 P CA 1.202 64.216 63.100 -0.143 0.000 0.822 103 P CB -0.059 31.547 31.700 -0.156 0.000 0.784 104 V N -0.718 119.127 119.914 -0.115 0.000 2.407 104 V HA -0.174 3.946 4.120 -0.000 0.000 0.245 104 V C 2.320 178.384 176.094 -0.050 0.000 1.041 104 V CA 1.338 63.593 62.300 -0.075 0.000 1.040 104 V CB -1.022 30.769 31.823 -0.054 0.000 0.671 104 V HN 0.035 nan 8.190 nan 0.000 0.455 105 I N -0.157 120.375 120.570 -0.063 0.000 2.264 105 I HA -0.269 3.901 4.170 -0.000 0.000 0.248 105 I C 2.115 178.200 176.117 -0.053 0.000 1.111 105 I CA 1.752 63.022 61.300 -0.050 0.000 1.382 105 I CB -0.183 37.781 38.000 -0.061 0.000 1.060 105 I HN 0.264 nan 8.210 nan 0.000 0.418 106 L N 0.177 121.356 121.223 -0.073 0.000 2.446 106 L HA 0.019 4.359 4.340 -0.000 0.000 0.219 106 L C 1.582 178.405 176.870 -0.078 0.000 1.116 106 L CA -0.400 54.391 54.840 -0.081 0.000 0.844 106 L CB -0.437 41.558 42.059 -0.107 0.000 0.970 106 L HN 0.461 nan 8.230 nan 0.000 0.457 107 C N -1.203 118.056 119.300 -0.069 0.000 2.705 107 C HA 0.126 4.586 4.460 -0.000 0.000 0.365 107 C C 0.991 175.955 174.990 -0.044 0.000 1.353 107 C CA -0.746 58.234 59.018 -0.062 0.000 2.339 107 C CB 0.437 28.141 27.740 -0.060 0.000 2.576 107 C HN 0.263 nan 8.230 nan 0.000 0.716 108 D N 1.010 121.387 120.400 -0.039 0.000 2.706 108 D HA 0.180 4.820 4.640 -0.000 0.000 0.236 108 D C 0.092 176.383 176.300 -0.014 0.000 1.231 108 D CA 0.622 54.606 54.000 -0.026 0.000 0.828 108 D CB 0.236 41.019 40.800 -0.028 0.000 1.015 108 D HN 0.652 nan 8.370 nan 0.000 0.484 109 S N 0.687 116.383 115.700 -0.007 0.000 2.542 109 S HA 0.338 4.808 4.470 -0.000 0.000 0.245 109 S C -1.888 172.725 174.600 0.021 0.000 1.325 109 S CA -1.523 56.682 58.200 0.008 0.000 1.176 109 S CB 1.175 64.380 63.200 0.010 0.000 1.045 109 S HN -0.173 nan 8.310 nan 0.000 0.481 110 P HA -0.142 nan 4.420 nan 0.000 0.216 110 P C 1.746 179.063 177.300 0.029 0.000 1.150 110 P CA 1.295 64.407 63.100 0.020 0.000 0.837 110 P CB 0.029 31.736 31.700 0.012 0.000 0.786 111 S N -1.029 114.689 115.700 0.031 0.000 2.368 111 S HA -0.141 4.329 4.470 -0.000 0.000 0.225 111 S C 1.916 176.551 174.600 0.059 0.000 1.030 111 S CA 0.985 59.205 58.200 0.033 0.000 0.999 111 S CB -1.548 61.670 63.200 0.030 0.000 0.844 111 S HN -0.050 nan 8.310 nan 0.000 0.459 112 L N 1.875 123.160 121.223 0.103 0.000 2.017 112 L HA -0.022 4.318 4.340 -0.000 0.000 0.208 112 L C 2.854 179.869 176.870 0.242 0.000 1.073 112 L CA 1.763 56.736 54.840 0.222 0.000 0.745 112 L CB -1.105 41.058 42.059 0.173 0.000 0.894 112 L HN 0.399 nan 8.230 nan 0.000 0.432 113 Q N -0.908 118.970 119.800 0.131 0.000 2.030 113 Q HA -0.267 4.073 4.340 -0.000 0.000 0.204 113 Q C 2.187 178.247 176.000 0.099 0.000 0.986 113 Q CA 2.002 57.870 55.803 0.108 0.000 0.843 113 Q CB -0.284 28.487 28.738 0.055 0.000 0.904 113 Q HN 0.534 nan 8.270 nan 0.000 0.420 114 E N 0.682 120.916 120.200 0.056 0.000 2.086 114 E HA -0.265 4.085 4.350 -0.000 0.000 0.200 114 E C 2.021 178.620 176.600 -0.002 0.000 1.012 114 E CA 1.320 57.736 56.400 0.025 0.000 0.812 114 E CB -0.039 29.663 29.700 0.004 0.000 0.743 114 E HN 0.180 nan 8.360 nan 0.000 0.453 115 K N -0.325 120.044 120.400 -0.052 0.000 2.025 115 K HA -0.134 4.186 4.320 -0.000 0.000 0.207 115 K C 1.861 178.297 176.600 -0.273 0.000 1.049 115 K CA 1.394 57.536 56.287 -0.243 0.000 0.933 115 K CB -0.080 32.152 32.500 -0.446 0.000 0.714 115 K HN 0.020 nan 8.250 nan 0.000 0.438 116 F N 0.567 120.564 119.950 0.079 0.000 2.530 116 F HA 0.121 4.648 4.527 0.000 0.000 0.292 116 F C 1.706 177.644 175.800 0.229 0.000 1.109 116 F CA 0.321 58.399 58.000 0.131 0.000 1.450 116 F CB 0.134 39.194 39.000 0.100 0.000 1.114 116 F HN -0.069 nan 8.300 nan 0.000 0.560 117 L N -0.308 121.108 121.223 0.321 0.000 2.492 117 L HA -0.057 4.283 4.340 -0.000 0.000 0.223 117 L C 2.314 179.361 176.870 0.294 0.000 1.132 117 L CA 0.511 55.550 54.840 0.333 0.000 0.850 117 L CB -0.453 41.714 42.059 0.180 0.000 0.966 117 L HN 0.072 nan 8.230 nan 0.000 0.454 118 K N 1.210 121.705 120.400 0.159 0.000 2.015 118 K HA -0.209 4.111 4.320 -0.000 0.000 0.216 118 K C -0.575 176.043 176.600 0.029 0.000 1.052 118 K CA 2.042 58.368 56.287 0.066 0.000 0.937 118 K CB -0.759 31.742 32.500 0.002 0.000 0.719 118 K HN 0.179 nan 8.250 nan 0.000 0.446 119 P HA -0.093 nan 4.420 nan 0.000 0.226 119 P C 0.483 177.608 177.300 -0.291 0.000 1.153 119 P CA 1.103 64.061 63.100 -0.237 0.000 0.777 119 P CB 0.038 31.482 31.700 -0.428 0.000 0.794 120 F N -0.689 119.307 119.950 0.078 0.000 2.664 120 F HA 0.149 4.677 4.527 0.000 0.000 0.296 120 F C 1.878 177.707 175.800 0.048 0.000 1.125 120 F CA 0.433 58.481 58.000 0.080 0.000 1.444 120 F CB -0.709 38.344 39.000 0.088 0.000 1.114 120 F HN -0.129 nan 8.300 nan 0.000 0.576 121 I N -2.358 118.315 120.570 0.170 0.000 3.928 121 I HA 0.192 4.362 4.170 -0.000 0.000 0.335 121 I C 1.728 177.871 176.117 0.043 0.000 1.325 121 I CA 0.426 61.782 61.300 0.094 0.000 1.107 121 I CB -0.392 37.656 38.000 0.079 0.000 1.014 121 I HN 0.031 nan 8.210 nan 0.000 0.400 122 S N 0.796 116.512 115.700 0.026 0.000 2.446 122 S HA 0.239 4.709 4.470 -0.000 0.000 0.225 122 S C 1.825 176.425 174.600 -0.000 0.000 1.016 122 S CA 0.645 58.846 58.200 0.002 0.000 0.943 122 S CB -0.244 62.945 63.200 -0.018 0.000 0.786 122 S HN 0.817 nan 8.310 nan 0.000 0.508 123 G N 0.508 109.312 108.800 0.006 0.000 2.159 123 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.256 123 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.256 123 G C -0.241 174.658 174.900 -0.001 0.000 0.977 123 G CA 0.313 45.413 45.100 0.001 0.000 0.652 123 G HN 0.625 nan 8.290 nan 0.000 0.531 124 E N -0.801 119.399 120.200 -0.001 0.000 2.336 124 E HA 0.586 4.936 4.350 -0.000 0.000 0.267 124 E C 0.814 177.422 176.600 0.013 0.000 0.906 124 E CA -0.370 56.029 56.400 -0.001 0.000 0.781 124 E CB 1.864 31.558 29.700 -0.011 0.000 1.261 124 E HN 1.374 nan 8.360 nan 0.000 0.436 125 G N 1.520 110.332 108.800 0.020 0.000 2.641 125 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.254 125 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.254 125 G C -0.582 174.393 174.900 0.124 0.000 1.315 125 G CA -0.168 44.959 45.100 0.045 0.000 0.907 125 G HN 0.512 nan 8.290 nan 0.000 0.572 126 E N 1.347 121.674 120.200 0.213 0.000 3.651 126 E HA 0.423 4.773 4.350 -0.000 0.000 0.220 126 E C -2.425 174.549 176.600 0.623 0.000 1.222 126 E CA -1.202 55.504 56.400 0.508 0.000 1.114 126 E CB 1.644 31.567 29.700 0.371 0.000 1.278 126 E HN 0.500 nan 8.360 nan 0.000 0.412 127 P HA 0.224 nan 4.420 nan 0.000 0.285 127 P C -0.606 177.019 177.300 0.542 0.000 1.259 127 P CA -0.382 62.880 63.100 0.268 0.000 0.794 127 P CB 1.245 32.774 31.700 -0.284 0.000 0.940 128 L N 2.333 123.798 121.223 0.402 0.000 2.329 128 L HA 0.783 5.123 4.340 -0.000 0.000 0.279 128 L C 0.438 177.539 176.870 0.385 0.000 1.014 128 L CA -0.826 54.187 54.840 0.289 0.000 0.814 128 L CB 1.884 43.886 42.059 -0.094 0.000 1.257 128 L HN 0.384 nan 8.230 nan 0.000 0.424 129 A N 1.824 124.768 122.820 0.205 0.000 2.354 129 A HA 0.871 5.191 4.320 -0.000 0.000 0.321 129 A C -0.729 176.840 177.584 -0.025 0.000 1.125 129 A CA -0.544 51.506 52.037 0.021 0.000 0.799 129 A CB 2.017 20.834 19.000 -0.305 0.000 1.293 129 A HN 0.511 nan 8.150 nan 0.000 0.452 130 S N 0.032 115.706 115.700 -0.042 0.000 2.603 130 S HA 0.458 4.928 4.470 -0.000 0.000 0.274 130 S C -1.812 172.747 174.600 -0.069 0.000 1.168 130 S CA -0.464 57.708 58.200 -0.047 0.000 0.963 130 S CB 0.966 64.160 63.200 -0.011 0.000 1.078 130 S HN 1.219 nan 8.310 nan 0.000 0.477 131 L N 6.128 127.287 121.223 -0.106 0.000 2.268 131 L HA 0.577 4.917 4.340 -0.000 0.000 0.289 131 L C -0.512 176.341 176.870 -0.027 0.000 1.064 131 L CA 0.317 55.084 54.840 -0.122 0.000 0.824 131 L CB 0.177 42.073 42.059 -0.272 0.000 1.202 131 L HN 0.769 nan 8.230 nan 0.000 0.433 132 M N 5.618 125.223 119.600 0.008 0.000 2.365 132 M HA 0.188 4.668 4.480 -0.000 0.000 0.350 132 M C 0.530 176.873 176.300 0.071 0.000 1.274 132 M CA -0.010 55.322 55.300 0.052 0.000 1.252 132 M CB 0.332 32.972 32.600 0.068 0.000 1.297 132 M HN 0.677 nan 8.290 nan 0.000 0.438 133 H N 0.177 119.236 119.070 -0.018 0.000 2.373 133 H HA 0.275 4.831 4.556 -0.000 0.000 0.290 133 H C 0.236 175.500 175.328 -0.106 0.000 0.989 133 H CA 0.170 56.159 56.048 -0.098 0.000 1.250 133 H CB 0.786 30.506 29.762 -0.071 0.000 1.477 133 H HN 0.455 nan 8.280 nan 0.000 0.551 134 S N 1.284 116.973 115.700 -0.018 0.000 2.573 134 S HA 0.115 4.585 4.470 -0.000 0.000 0.277 134 S C -0.153 174.447 174.600 -0.000 0.000 1.346 134 S CA 0.104 58.293 58.200 -0.018 0.000 1.034 134 S CB 1.072 64.381 63.200 0.180 0.000 0.879 134 S HN 0.388 nan 8.310 nan 0.000 0.528 135 E N 0.754 120.964 120.200 0.016 0.000 2.408 135 E HA 0.241 4.591 4.350 -0.000 0.000 0.275 135 E C -2.176 174.422 176.600 -0.003 0.000 0.935 135 E CA -2.076 54.312 56.400 -0.020 0.000 0.775 135 E CB 1.402 31.066 29.700 -0.061 0.000 1.277 135 E HN 0.172 nan 8.360 nan 0.000 0.455 136 P HA -0.168 nan 4.420 nan 0.000 0.216 136 P C 0.399 177.679 177.300 -0.032 0.000 1.153 136 P CA 1.508 64.523 63.100 -0.141 0.000 0.858 136 P CB 0.130 31.722 31.700 -0.181 0.000 0.789 137 N N -1.275 117.418 118.700 -0.011 0.000 2.461 137 N HA 0.166 4.906 4.740 -0.000 0.000 0.188 137 N C 0.625 176.148 175.510 0.021 0.000 1.134 137 N CA 0.309 53.364 53.050 0.007 0.000 0.878 137 N CB 0.074 38.565 38.487 0.008 0.000 0.972 137 N HN 0.145 nan 8.380 nan 0.000 0.456 138 G N 0.047 108.865 108.800 0.029 0.000 2.619 138 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.686 138 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.686 138 G C 0.179 175.072 174.900 -0.012 0.000 1.256 138 G CA -0.195 44.918 45.100 0.021 0.000 0.826 138 G HN 0.142 nan 8.290 nan 0.000 0.619 139 T N -2.640 111.894 114.554 -0.033 0.000 3.087 139 T HA 0.584 4.934 4.350 -0.000 0.000 0.283 139 T C 2.179 176.931 174.700 0.087 0.000 0.956 139 T CA 1.323 63.392 62.100 -0.052 0.000 0.894 139 T CB 0.663 69.361 68.868 -0.283 0.000 1.160 139 T HN 2.036 nan 8.240 nan 0.000 0.532 140 A N 2.768 125.624 122.820 0.060 0.000 2.024 140 A HA -0.053 4.267 4.320 -0.000 0.000 0.220 140 A C 1.657 179.335 177.584 0.155 0.000 1.164 140 A CA 1.518 53.608 52.037 0.088 0.000 0.643 140 A CB -0.752 18.264 19.000 0.027 0.000 0.806 140 A HN 0.645 nan 8.150 nan 0.000 0.451 141 N N -0.501 118.289 118.700 0.150 0.000 2.275 141 N HA 0.071 4.811 4.740 -0.000 0.000 0.236 141 N C 1.007 176.610 175.510 0.155 0.000 1.154 141 N CA 0.133 53.252 53.050 0.114 0.000 0.866 141 N CB 0.163 38.685 38.487 0.058 0.000 1.093 141 N HN 0.823 nan 8.380 nan 0.000 0.515 142 W N 0.331 121.625 121.300 -0.010 0.000 2.364 142 W HA -0.038 4.622 4.660 0.000 0.000 0.281 142 W C 0.055 176.579 176.519 0.009 0.000 1.219 142 W CA 0.500 57.842 57.345 -0.004 0.000 1.220 142 W CB -0.624 28.838 29.460 0.003 0.000 1.127 142 W HN 0.111 nan 8.180 nan 0.000 0.556 143 L N 0.981 121.966 121.223 -0.398 0.000 2.728 143 L HA 0.203 4.543 4.340 -0.000 0.000 0.238 143 L C 1.229 177.966 176.870 -0.222 0.000 1.143 143 L CA -0.050 54.498 54.840 -0.487 0.000 0.937 143 L CB -0.397 41.236 42.059 -0.709 0.000 1.225 143 L HN -0.113 nan 8.230 nan 0.000 0.507 144 Q N 2.590 122.321 119.800 -0.114 0.000 2.281 144 Q HA 0.028 4.368 4.340 -0.000 0.000 0.267 144 Q C 0.030 175.995 176.000 -0.058 0.000 1.053 144 Q CA 0.094 55.856 55.803 -0.067 0.000 0.905 144 Q CB 0.696 29.417 28.738 -0.028 0.000 1.195 144 Q HN 0.089 nan 8.270 nan 0.000 0.398 145 K N 2.708 123.072 120.400 -0.060 0.000 2.451 145 K HA 0.072 4.392 4.320 -0.000 0.000 0.280 145 K C 0.602 177.185 176.600 -0.029 0.000 1.020 145 K CA 1.133 57.392 56.287 -0.046 0.000 1.008 145 K CB 0.105 32.578 32.500 -0.046 0.000 0.917 145 K HN 0.945 nan 8.250 nan 0.000 0.478 146 G N 2.452 111.239 108.800 -0.020 0.000 2.195 146 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.246 146 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.246 146 G C 0.371 175.267 174.900 -0.006 0.000 0.984 146 G CA -0.032 45.061 45.100 -0.012 0.000 0.633 146 G HN 0.920 nan 8.290 nan 0.000 0.525 147 G N 0.026 108.822 108.800 -0.006 0.000 2.535 147 G HA2 0.661 4.621 3.960 -0.000 0.000 0.303 147 G HA3 0.661 4.621 3.960 -0.000 0.000 0.303 147 G C -0.355 174.552 174.900 0.012 0.000 1.237 147 G CA -0.167 44.936 45.100 0.004 0.000 0.986 147 G HN 0.108 nan 8.290 nan 0.000 0.494 148 P HA 0.085 nan 4.420 nan 0.000 0.221 148 P C 1.172 178.493 177.300 0.035 0.000 1.150 148 P CA 1.306 64.421 63.100 0.025 0.000 0.800 148 P CB -0.005 31.710 31.700 0.025 0.000 0.787 149 G N 0.407 109.236 108.800 0.048 0.000 2.796 149 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.226 149 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.226 149 G C -0.545 174.409 174.900 0.091 0.000 1.381 149 G CA -0.558 44.588 45.100 0.076 0.000 0.867 149 G HN 0.289 nan 8.290 nan 0.000 0.552 150 L N 0.591 121.891 121.223 0.128 0.000 2.559 150 L HA 0.034 4.374 4.340 -0.000 0.000 0.282 150 L C 1.746 178.643 176.870 0.045 0.000 1.232 150 L CA 0.178 55.064 54.840 0.077 0.000 0.885 150 L CB 0.514 42.626 42.059 0.089 0.000 1.131 150 L HN 0.603 nan 8.230 nan 0.000 0.498 151 Q N 0.944 120.757 119.800 0.022 0.000 2.360 151 Q HA 0.087 4.427 4.340 -0.000 0.000 0.202 151 Q C 0.106 176.124 176.000 0.029 0.000 0.915 151 Q CA 0.279 56.098 55.803 0.027 0.000 0.943 151 Q CB 0.309 29.062 28.738 0.024 0.000 1.064 151 Q HN 0.619 nan 8.270 nan 0.000 0.511 152 T N 2.452 117.015 114.554 0.015 0.000 2.727 152 T HA 0.307 4.657 4.350 -0.000 0.000 0.298 152 T C 0.306 175.007 174.700 0.001 0.000 0.942 152 T CA -0.201 61.903 62.100 0.008 0.000 0.997 152 T CB 0.880 69.736 68.868 -0.019 0.000 0.917 152 T HN 0.202 nan 8.240 nan 0.000 0.487 153 T N 0.219 114.783 114.554 0.017 0.000 2.942 153 T HA 0.863 5.213 4.350 -0.000 0.000 0.289 153 T C -0.598 174.131 174.700 0.048 0.000 1.044 153 T CA -1.070 61.053 62.100 0.038 0.000 1.023 153 T CB 1.965 70.868 68.868 0.057 0.000 1.123 153 T HN 0.625 nan 8.240 nan 0.000 0.512 154 A N 1.759 124.641 122.820 0.103 0.000 2.449 154 A HA 0.874 5.194 4.320 -0.000 0.000 0.302 154 A C -0.369 177.420 177.584 0.342 0.000 1.048 154 A CA -1.273 50.893 52.037 0.215 0.000 0.708 154 A CB 1.436 20.554 19.000 0.197 0.000 1.274 154 A HN 1.176 nan 8.150 nan 0.000 0.410 155 R N 1.263 121.944 120.500 0.302 0.000 2.744 155 R HA 0.652 4.992 4.340 -0.000 0.000 0.279 155 R C -1.045 175.128 176.300 -0.212 0.000 0.977 155 R CA -0.813 55.344 56.100 0.096 0.000 0.906 155 R CB 1.771 32.072 30.300 0.001 0.000 1.197 155 R HN 0.558 nan 8.270 nan 0.000 0.463 156 K N 2.233 122.194 120.400 -0.731 0.000 2.227 156 K HA 0.330 4.650 4.320 -0.000 0.000 0.280 156 K C -1.211 175.070 176.600 -0.532 0.000 1.041 156 K CA -0.602 55.021 56.287 -1.105 0.000 0.905 156 K CB 1.415 33.001 32.500 -1.524 0.000 1.068 156 K HN 0.460 nan 8.250 nan 0.000 0.470 157 V N 4.559 124.222 119.914 -0.418 0.000 2.447 157 V HA 0.383 4.503 4.120 -0.000 0.000 0.292 157 V C 0.664 176.639 176.094 -0.199 0.000 1.021 157 V CA -0.079 62.076 62.300 -0.242 0.000 0.850 157 V CB 0.572 32.298 31.823 -0.162 0.000 1.005 157 V HN 1.190 nan 8.190 nan 0.000 0.426 158 G N 5.383 114.077 108.800 -0.176 0.000 2.611 158 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.301 158 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.301 158 G C 0.511 175.306 174.900 -0.175 0.000 1.233 158 G CA 0.625 45.644 45.100 -0.135 0.000 0.993 158 G HN 1.209 nan 8.290 nan 0.000 0.553 159 N N 2.073 120.716 118.700 -0.096 0.000 2.346 159 N HA 0.219 4.959 4.740 -0.000 0.000 0.225 159 N C 0.188 175.719 175.510 0.035 0.000 1.144 159 N CA 0.939 53.955 53.050 -0.057 0.000 0.837 159 N CB 0.293 38.785 38.487 0.009 0.000 1.069 159 N HN 0.828 nan 8.380 nan 0.000 0.487 160 E N -0.714 119.461 120.200 -0.043 0.000 2.367 160 E HA 0.347 4.697 4.350 -0.000 0.000 0.273 160 E C -1.297 175.231 176.600 -0.120 0.000 0.903 160 E CA -0.795 55.629 56.400 0.040 0.000 0.764 160 E CB 1.242 30.983 29.700 0.069 0.000 1.252 160 E HN 0.120 nan 8.360 nan 0.000 0.446 161 W N 0.846 122.150 121.300 0.007 0.000 2.570 161 W HA 0.488 5.148 4.660 -0.000 0.000 0.337 161 W C -0.717 175.734 176.519 -0.113 0.000 1.067 161 W CA -0.504 56.823 57.345 -0.029 0.000 1.229 161 W CB 1.347 30.817 29.460 0.017 0.000 1.355 161 W HN 0.131 nan 8.180 nan 0.000 0.555 162 V N 5.162 125.119 119.914 0.073 0.000 2.350 162 V HA 0.348 4.468 4.120 -0.000 0.000 0.285 162 V C -0.027 176.123 176.094 0.095 0.000 1.014 162 V CA -0.974 61.295 62.300 -0.050 0.000 0.831 162 V CB 0.524 32.205 31.823 -0.236 0.000 1.000 162 V HN 0.351 nan 8.190 nan 0.000 0.433 163 I N 3.539 124.196 120.570 0.145 0.000 2.395 163 I HA 0.454 4.624 4.170 -0.000 0.000 0.289 163 I C 0.270 176.473 176.117 0.143 0.000 1.023 163 I CA 0.257 61.601 61.300 0.074 0.000 1.350 163 I CB 1.464 39.376 38.000 -0.147 0.000 1.409 163 I HN 0.524 nan 8.210 nan 0.000 0.507 164 S N 3.676 119.435 115.700 0.099 0.000 2.594 164 S HA 0.883 5.353 4.470 -0.000 0.000 0.296 164 S C 0.038 174.708 174.600 0.116 0.000 1.124 164 S CA -0.577 57.703 58.200 0.133 0.000 1.011 164 S CB 2.014 65.272 63.200 0.098 0.000 1.016 164 S HN 1.125 nan 8.310 nan 0.000 0.485 165 G N 2.337 111.233 108.800 0.161 0.000 2.334 165 G HA2 0.192 4.152 3.960 -0.000 0.000 0.315 165 G HA3 0.192 4.152 3.960 -0.000 0.000 0.315 165 G C -2.164 172.836 174.900 0.167 0.000 1.284 165 G CA -0.951 44.224 45.100 0.125 0.000 0.985 165 G HN 0.577 nan 8.290 nan 0.000 0.504 166 E N 0.154 120.420 120.200 0.109 0.000 2.222 166 E HA 0.571 4.921 4.350 -0.000 0.000 0.267 166 E C -0.643 176.006 176.600 0.082 0.000 0.884 166 E CA -1.020 55.432 56.400 0.087 0.000 0.764 166 E CB 2.123 31.887 29.700 0.107 0.000 1.169 166 E HN 0.285 nan 8.360 nan 0.000 0.413 167 K N 1.955 122.395 120.400 0.067 0.000 2.208 167 K HA 0.599 4.919 4.320 -0.000 0.000 0.247 167 K C -0.818 175.763 176.600 -0.033 0.000 0.953 167 K CA -0.794 55.509 56.287 0.026 0.000 0.837 167 K CB 1.873 34.411 32.500 0.063 0.000 1.131 167 K HN 0.440 nan 8.250 nan 0.000 0.431 168 L N 1.516 122.684 121.223 -0.091 0.000 2.482 168 L HA 0.293 4.633 4.340 -0.000 0.000 0.263 168 L C -0.843 175.930 176.870 -0.161 0.000 0.957 168 L CA -0.187 54.465 54.840 -0.313 0.000 0.836 168 L CB 1.254 42.959 42.059 -0.590 0.000 1.324 168 L HN 0.928 nan 8.230 nan 0.000 0.406 169 W N 0.499 121.754 121.300 -0.074 0.000 0.689 169 W HA -0.194 4.466 4.660 0.000 0.000 0.221 169 W C -1.856 174.640 176.519 -0.039 0.000 0.935 169 W CA -0.338 56.978 57.345 -0.048 0.000 0.344 169 W CB -1.988 27.455 29.460 -0.028 0.000 1.932 169 W HN 0.332 nan 8.180 nan 0.000 1.135 170 P HA 0.213 nan 4.420 nan 0.000 0.265 170 P C 0.161 177.475 177.300 0.023 0.000 1.222 170 P CA 0.751 63.906 63.100 0.092 0.000 0.767 170 P CB 0.858 32.593 31.700 0.059 0.000 0.801 171 S N 3.994 119.706 115.700 0.020 0.000 2.558 171 S HA -0.039 4.431 4.470 -0.000 0.000 0.293 171 S C 1.006 175.545 174.600 -0.102 0.000 1.292 171 S CA 0.210 58.382 58.200 -0.046 0.000 1.063 171 S CB -0.460 62.736 63.200 -0.007 0.000 0.831 171 S HN 0.536 nan 8.310 nan 0.000 0.499 172 N N 0.118 118.684 118.700 -0.223 0.000 2.936 172 N HA -0.219 4.521 4.740 -0.000 0.000 0.236 172 N C 1.297 176.744 175.510 -0.106 0.000 0.930 172 N CA 1.395 54.313 53.050 -0.221 0.000 0.966 172 N CB -1.978 36.428 38.487 -0.136 0.000 1.090 172 N HN 0.765 nan 8.380 nan 0.000 0.592 173 S N -1.016 114.642 115.700 -0.069 0.000 2.382 173 S HA -0.041 4.429 4.470 -0.000 0.000 0.228 173 S C 1.901 176.542 174.600 0.069 0.000 1.027 173 S CA 1.386 59.587 58.200 0.003 0.000 0.991 173 S CB -0.616 62.580 63.200 -0.006 0.000 0.823 173 S HN 0.528 nan 8.310 nan 0.000 0.469 174 G N 0.526 109.364 108.800 0.063 0.000 2.985 174 G HA2 0.480 4.440 3.960 -0.000 0.000 0.209 174 G HA3 0.480 4.440 3.960 -0.000 0.000 0.209 174 G C 0.909 175.960 174.900 0.251 0.000 1.165 174 G CA 0.115 45.330 45.100 0.193 0.000 0.776 174 G HN 1.143 nan 8.290 nan 0.000 0.541 175 G N -0.644 108.229 108.800 0.121 0.000 2.641 175 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.254 175 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.254 175 G C 0.681 175.654 174.900 0.122 0.000 1.315 175 G CA 0.188 45.306 45.100 0.029 0.000 0.907 175 G HN 0.297 nan 8.290 nan 0.000 0.572 176 W N 0.253 121.676 121.300 0.206 0.000 2.519 176 W HA 0.231 4.891 4.660 0.000 0.000 0.266 176 W C 2.080 178.628 176.519 0.049 0.000 1.253 176 W CA 1.108 58.502 57.345 0.082 0.000 1.274 176 W CB 0.106 29.526 29.460 -0.067 0.000 1.114 176 W HN 0.673 nan 8.180 nan 0.000 0.596 177 D N -3.771 116.790 120.400 0.269 0.000 2.556 177 D HA -0.045 4.595 4.640 -0.000 0.000 0.237 177 D C 0.149 176.565 176.300 0.193 0.000 1.296 177 D CA -0.633 53.452 54.000 0.140 0.000 0.807 177 D CB -0.937 39.952 40.800 0.149 0.000 1.084 177 D HN 0.048 nan 8.370 nan 0.000 0.510 178 Y N 0.289 120.685 120.300 0.159 0.000 4.490 178 Y HA -0.236 4.314 4.550 0.000 0.000 0.233 178 Y C 0.682 176.694 175.900 0.187 0.000 1.101 178 Y CA 0.107 58.298 58.100 0.151 0.000 2.010 178 Y CB -2.495 36.028 38.460 0.106 0.000 1.622 178 Y HN 0.231 nan 8.280 nan 0.000 0.675 179 K N 0.212 120.779 120.400 0.278 0.000 2.373 179 K HA 0.492 4.812 4.320 -0.000 0.000 0.202 179 K C 1.009 177.624 176.600 0.026 0.000 1.025 179 K CA 0.609 56.977 56.287 0.136 0.000 1.115 179 K CB 0.748 33.314 32.500 0.110 0.000 0.858 179 K HN 0.445 nan 8.250 nan 0.000 0.525 180 G N 0.635 109.505 108.800 0.117 0.000 2.592 180 G HA2 0.117 4.077 3.960 -0.000 0.000 0.685 180 G HA3 0.117 4.077 3.960 -0.000 0.000 0.685 180 G C -0.773 174.192 174.900 0.109 0.000 1.278 180 G CA -0.766 44.378 45.100 0.074 0.000 0.822 180 G HN 0.183 nan 8.290 nan 0.000 0.652 181 A N 0.458 123.345 122.820 0.111 0.000 2.466 181 A HA 0.537 4.857 4.320 -0.000 0.000 0.238 181 A C 1.279 178.952 177.584 0.149 0.000 1.074 181 A CA 1.172 53.272 52.037 0.104 0.000 0.774 181 A CB 0.066 19.122 19.000 0.094 0.000 1.015 181 A HN 0.884 nan 8.150 nan 0.000 0.498 182 D N -0.863 119.654 120.400 0.196 0.000 2.182 182 D HA 0.054 4.694 4.640 -0.000 0.000 0.201 182 D C 0.087 176.570 176.300 0.305 0.000 0.986 182 D CA 1.514 55.647 54.000 0.221 0.000 0.847 182 D CB -0.049 40.849 40.800 0.164 0.000 0.942 182 D HN 0.264 nan 8.370 nan 0.000 0.467 183 L N -0.541 120.891 121.223 0.349 0.000 2.528 183 L HA 0.600 4.940 4.340 -0.000 0.000 0.267 183 L C -1.790 175.147 176.870 0.112 0.000 0.961 183 L CA -0.854 54.139 54.840 0.255 0.000 0.866 183 L CB 1.601 43.862 42.059 0.336 0.000 1.248 183 L HN -0.134 nan 8.230 nan 0.000 0.404 184 A N 4.048 126.910 122.820 0.070 0.000 2.318 184 A HA 0.711 5.031 4.320 -0.000 0.000 0.324 184 A C -0.732 176.831 177.584 -0.035 0.000 1.170 184 A CA -0.453 51.603 52.037 0.031 0.000 0.810 184 A CB 0.963 20.020 19.000 0.094 0.000 1.198 184 A HN 0.771 nan 8.150 nan 0.000 0.484 185 C N 3.061 122.318 119.300 -0.072 0.000 2.225 185 C HA 0.484 4.944 4.460 -0.000 0.000 0.328 185 C C 0.347 175.290 174.990 -0.079 0.000 1.187 185 C CA -0.623 58.329 59.018 -0.110 0.000 1.665 185 C CB -0.639 27.018 27.740 -0.139 0.000 2.253 185 C HN 0.565 nan 8.230 nan 0.000 0.497 186 V N 5.226 125.083 119.914 -0.094 0.000 2.364 186 V HA 0.239 4.359 4.120 -0.000 0.000 0.272 186 V C 0.212 176.239 176.094 -0.112 0.000 1.036 186 V CA -0.234 62.003 62.300 -0.106 0.000 0.880 186 V CB 1.065 32.764 31.823 -0.207 0.000 0.991 186 V HN 0.655 nan 8.190 nan 0.000 0.460 187 V N 4.835 124.715 119.914 -0.055 0.000 2.406 187 V HA 0.329 4.449 4.120 -0.000 0.000 0.272 187 V C 0.161 176.238 176.094 -0.029 0.000 1.043 187 V CA -0.150 62.147 62.300 -0.004 0.000 0.915 187 V CB 0.842 32.739 31.823 0.123 0.000 0.988 187 V HN 1.008 nan 8.190 nan 0.000 0.466 188 C N 4.829 124.114 119.300 -0.024 0.000 2.707 188 C HA 0.630 5.090 4.460 -0.000 0.000 0.313 188 C C 0.253 175.266 174.990 0.039 0.000 1.209 188 C CA -1.096 57.908 59.018 -0.025 0.000 1.635 188 C CB 1.863 29.553 27.740 -0.083 0.000 2.206 188 C HN 0.948 nan 8.230 nan 0.000 0.485 189 R N 1.278 121.813 120.500 0.059 0.000 2.265 189 R HA 0.580 4.920 4.340 -0.000 0.000 0.319 189 R C -0.932 175.409 176.300 0.069 0.000 1.006 189 R CA -0.229 55.916 56.100 0.074 0.000 0.880 189 R CB 0.699 31.049 30.300 0.083 0.000 1.077 189 R HN 0.648 nan 8.270 nan 0.000 0.454 190 V N 3.584 123.546 119.914 0.080 0.000 2.529 190 V HA 0.130 4.250 4.120 -0.000 0.000 0.292 190 V C 0.172 176.334 176.094 0.113 0.000 1.028 190 V CA 0.420 62.804 62.300 0.140 0.000 1.074 190 V CB 1.114 33.046 31.823 0.181 0.000 0.958 190 V HN 0.792 nan 8.190 nan 0.000 0.481 191 S N 2.633 118.405 115.700 0.120 0.000 2.653 191 S HA 0.254 4.724 4.470 -0.000 0.000 0.268 191 S C 0.397 175.038 174.600 0.068 0.000 1.153 191 S CA -0.694 57.553 58.200 0.078 0.000 1.036 191 S CB 1.289 64.526 63.200 0.061 0.000 1.103 191 S HN 0.843 nan 8.310 nan 0.000 0.466 192 D N 2.071 122.498 120.400 0.044 0.000 2.310 192 D HA -0.027 4.613 4.640 -0.000 0.000 0.212 192 D C -0.226 176.081 176.300 0.012 0.000 0.965 192 D CA 0.953 54.961 54.000 0.015 0.000 0.879 192 D CB 0.327 41.124 40.800 -0.004 0.000 0.921 192 D HN 0.549 nan 8.370 nan 0.000 0.510 193 D N -0.665 119.747 120.400 0.021 0.000 2.330 193 D HA 0.098 4.738 4.640 -0.000 0.000 0.249 193 D C -1.996 174.321 176.300 0.027 0.000 1.306 193 D CA -1.754 52.258 54.000 0.020 0.000 0.956 193 D CB 1.690 42.498 40.800 0.014 0.000 1.261 193 D HN -0.137 nan 8.370 nan 0.000 0.544 194 P HA -0.103 nan 4.420 nan 0.000 0.231 194 P C 1.030 178.348 177.300 0.031 0.000 1.158 194 P CA 0.577 63.699 63.100 0.037 0.000 0.763 194 P CB 0.162 31.888 31.700 0.044 0.000 0.805 195 S N -2.117 113.599 115.700 0.026 0.000 2.496 195 S HA 0.041 4.511 4.470 -0.000 0.000 0.224 195 S C 0.999 175.610 174.600 0.020 0.000 0.996 195 S CA 0.150 58.363 58.200 0.022 0.000 0.927 195 S CB -0.359 62.853 63.200 0.019 0.000 0.774 195 S HN -0.037 nan 8.310 nan 0.000 0.524 196 K N 2.585 122.997 120.400 0.020 0.000 2.110 196 K HA 0.545 4.865 4.320 -0.000 0.000 0.263 196 K C -2.830 173.781 176.600 0.019 0.000 0.975 196 K CA -2.387 53.911 56.287 0.017 0.000 0.895 196 K CB 0.407 32.916 32.500 0.015 0.000 1.060 196 K HN 0.117 nan 8.250 nan 0.000 0.448 197 P HA 0.006 nan 4.420 nan 0.000 0.270 197 P C -0.401 176.910 177.300 0.018 0.000 1.223 197 P CA -0.333 62.777 63.100 0.017 0.000 0.785 197 P CB 0.431 32.139 31.700 0.013 0.000 0.923 198 Q N 1.311 121.122 119.800 0.019 0.000 2.315 198 Q HA -0.054 4.286 4.340 -0.000 0.000 0.289 198 Q C -0.008 175.999 176.000 0.011 0.000 1.044 198 Q CA -0.029 55.784 55.803 0.018 0.000 0.920 198 Q CB 0.171 28.920 28.738 0.018 0.000 1.214 198 Q HN 0.330 nan 8.270 nan 0.000 0.392 199 D N 5.615 126.021 120.400 0.009 0.000 2.412 199 D HA -0.006 4.634 4.640 -0.000 0.000 0.257 199 D C -1.644 174.655 176.300 -0.001 0.000 1.217 199 D CA -1.525 52.477 54.000 0.005 0.000 0.897 199 D CB 1.160 41.963 40.800 0.005 0.000 1.132 199 D HN 0.445 nan 8.370 nan 0.000 0.493 200 P HA -0.030 nan 4.420 nan 0.000 0.237 200 P C 0.249 177.543 177.300 -0.009 0.000 1.178 200 P CA 0.398 63.494 63.100 -0.006 0.000 0.766 200 P CB 0.447 32.145 31.700 -0.004 0.000 0.876 201 N N -0.379 118.316 118.700 -0.008 0.000 2.230 201 N HA 0.089 4.829 4.740 -0.000 0.000 0.202 201 N C -0.149 175.354 175.510 -0.011 0.000 1.119 201 N CA 0.127 53.172 53.050 -0.009 0.000 0.851 201 N CB 1.074 39.558 38.487 -0.006 0.000 0.990 201 N HN 0.060 nan 8.380 nan 0.000 0.497 202 V N 1.259 121.166 119.914 -0.012 0.000 2.417 202 V HA 0.109 4.229 4.120 -0.000 0.000 0.291 202 V C -0.107 175.972 176.094 -0.026 0.000 1.024 202 V CA -1.121 61.170 62.300 -0.014 0.000 0.861 202 V CB 1.955 33.774 31.823 -0.006 0.000 0.985 202 V HN -0.023 nan 8.190 nan 0.000 0.436 203 D N 6.990 127.370 120.400 -0.033 0.000 2.451 203 D HA 0.082 4.722 4.640 -0.000 0.000 0.254 203 D C -1.429 174.831 176.300 -0.066 0.000 1.204 203 D CA -1.178 52.790 54.000 -0.053 0.000 0.896 203 D CB 1.548 42.316 40.800 -0.053 0.000 1.136 203 D HN 0.234 nan 8.370 nan 0.000 0.499 204 P HA -0.213 nan 4.420 nan 0.000 0.217 204 P C 0.956 178.173 177.300 -0.139 0.000 1.151 204 P CA 1.844 64.881 63.100 -0.105 0.000 0.849 204 P CB 0.094 31.706 31.700 -0.145 0.000 0.787 205 A N -0.503 122.206 122.820 -0.185 0.000 1.978 205 A HA -0.202 4.118 4.320 -0.000 0.000 0.220 205 A C 2.141 179.666 177.584 -0.098 0.000 1.170 205 A CA 2.357 54.280 52.037 -0.189 0.000 0.636 205 A CB -1.969 16.919 19.000 -0.186 0.000 0.810 205 A HN 0.373 nan 8.150 nan 0.000 0.448 206 T N -3.459 111.055 114.554 -0.067 0.000 3.113 206 T HA -0.017 4.333 4.350 -0.000 0.000 0.263 206 T C 1.142 175.835 174.700 -0.012 0.000 1.143 206 T CA 1.160 63.240 62.100 -0.034 0.000 1.090 206 T CB -0.052 68.802 68.868 -0.023 0.000 0.922 206 T HN 0.403 nan 8.240 nan 0.000 0.521 207 Q N 0.251 120.043 119.800 -0.012 0.000 2.179 207 Q HA 0.362 4.702 4.340 -0.000 0.000 0.213 207 Q C -0.252 175.763 176.000 0.026 0.000 0.833 207 Q CA -0.218 55.596 55.803 0.017 0.000 0.990 207 Q CB 0.591 29.343 28.738 0.023 0.000 1.132 207 Q HN 0.481 nan 8.270 nan 0.000 0.493 208 I N 1.381 121.961 120.570 0.018 0.000 2.371 208 I HA 0.420 4.590 4.170 -0.000 0.000 0.290 208 I C 0.220 176.332 176.117 -0.009 0.000 1.028 208 I CA -0.686 60.649 61.300 0.057 0.000 1.345 208 I CB 0.825 38.895 38.000 0.118 0.000 1.407 208 I HN -0.105 nan 8.210 nan 0.000 0.501 209 A N 6.689 129.475 122.820 -0.057 0.000 2.374 209 A HA 0.806 5.126 4.320 -0.000 0.000 0.317 209 A C -0.917 176.566 177.584 -0.169 0.000 1.094 209 A CA -0.521 51.402 52.037 -0.190 0.000 0.765 209 A CB 1.691 20.448 19.000 -0.404 0.000 1.268 209 A HN 0.386 nan 8.150 nan 0.000 0.438 210 V N 2.586 122.378 119.914 -0.204 0.000 2.409 210 V HA 0.445 4.565 4.120 -0.000 0.000 0.291 210 V C -0.561 175.382 176.094 -0.251 0.000 1.020 210 V CA -0.197 61.994 62.300 -0.181 0.000 0.848 210 V CB 1.141 32.885 31.823 -0.131 0.000 0.990 210 V HN 0.739 nan 8.190 nan 0.000 0.430 211 L N 5.520 126.602 121.223 -0.236 0.000 2.333 211 L HA 0.553 4.893 4.340 -0.000 0.000 0.280 211 L C -0.474 176.288 176.870 -0.180 0.000 1.004 211 L CA -0.475 54.226 54.840 -0.232 0.000 0.820 211 L CB 1.811 43.742 42.059 -0.214 0.000 1.247 211 L HN 0.438 nan 8.230 nan 0.000 0.416 212 L N 4.576 125.667 121.223 -0.221 0.000 2.313 212 L HA 0.389 4.729 4.340 -0.000 0.000 0.282 212 L C -0.535 176.276 176.870 -0.098 0.000 1.092 212 L CA -0.472 54.203 54.840 -0.275 0.000 0.831 212 L CB 1.122 42.782 42.059 -0.665 0.000 1.159 212 L HN 0.288 nan 8.230 nan 0.000 0.442 213 V N 2.464 122.377 119.914 -0.001 0.000 2.444 213 V HA 0.406 4.526 4.120 -0.000 0.000 0.294 213 V C 0.362 176.549 176.094 0.156 0.000 1.022 213 V CA -0.502 61.890 62.300 0.153 0.000 0.850 213 V CB 1.969 33.933 31.823 0.234 0.000 0.992 213 V HN 0.921 nan 8.190 nan 0.000 0.426 214 T N 1.834 116.506 114.554 0.196 0.000 2.922 214 T HA 0.475 4.825 4.350 -0.000 0.000 0.281 214 T C 1.064 175.845 174.700 0.135 0.000 1.005 214 T CA -0.707 61.508 62.100 0.191 0.000 0.982 214 T CB 1.534 70.550 68.868 0.246 0.000 1.158 214 T HN 0.430 nan 8.240 nan 0.000 0.566 215 R N 0.036 120.600 120.500 0.108 0.000 2.120 215 R HA -0.065 4.275 4.340 -0.000 0.000 0.234 215 R C 2.435 178.771 176.300 0.060 0.000 1.123 215 R CA 1.547 57.684 56.100 0.061 0.000 0.975 215 R CB -0.271 30.071 30.300 0.070 0.000 0.866 215 R HN 0.831 nan 8.270 nan 0.000 0.446 216 E N 0.260 120.509 120.200 0.081 0.000 2.051 216 E HA -0.161 4.189 4.350 -0.000 0.000 0.192 216 E C 1.362 178.004 176.600 0.070 0.000 0.991 216 E CA 1.733 58.174 56.400 0.069 0.000 0.799 216 E CB 0.126 29.869 29.700 0.071 0.000 0.748 216 E HN 0.251 nan 8.360 nan 0.000 0.449 217 T N 1.396 116.016 114.554 0.110 0.000 2.699 217 T HA -0.190 4.160 4.350 -0.000 0.000 0.268 217 T C 1.928 176.673 174.700 0.076 0.000 1.036 217 T CA 1.602 63.764 62.100 0.104 0.000 1.147 217 T CB -0.259 68.738 68.868 0.216 0.000 0.862 217 T HN 0.194 nan 8.240 nan 0.000 0.446 218 I N 1.330 121.998 120.570 0.164 0.000 2.252 218 I HA -0.122 4.048 4.170 -0.000 0.000 0.245 218 I C 2.931 179.084 176.117 0.060 0.000 1.102 218 I CA 1.072 62.467 61.300 0.158 0.000 1.385 218 I CB -0.462 37.440 38.000 -0.164 0.000 1.064 218 I HN 0.197 nan 8.210 nan 0.000 0.414 219 A N 0.682 123.520 122.820 0.029 0.000 2.019 219 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 219 A C 1.833 179.421 177.584 0.007 0.000 1.164 219 A CA 1.602 53.653 52.037 0.023 0.000 0.644 219 A CB -0.541 18.473 19.000 0.025 0.000 0.805 219 A HN 0.411 nan 8.150 nan 0.000 0.449 220 N N 0.594 119.286 118.700 -0.012 0.000 2.461 220 N HA 0.019 4.759 4.740 -0.000 0.000 0.188 220 N C -0.192 175.266 175.510 -0.087 0.000 1.134 220 N CA 0.197 53.222 53.050 -0.040 0.000 0.878 220 N CB -0.116 38.350 38.487 -0.035 0.000 0.972 220 N HN 0.462 nan 8.380 nan 0.000 0.456 221 N N 0.842 119.487 118.700 -0.091 0.000 2.443 221 N HA 0.174 4.914 4.740 -0.000 0.000 0.293 221 N C -0.041 175.466 175.510 -0.004 0.000 1.159 221 N CA -0.407 52.579 53.050 -0.107 0.000 0.904 221 N CB 1.856 40.225 38.487 -0.196 0.000 1.214 221 N HN -0.078 nan 8.380 nan 0.000 0.513 222 K N 1.113 121.514 120.400 0.001 0.000 2.457 222 K HA -0.068 4.252 4.320 -0.000 0.000 0.269 222 K C 1.290 177.943 176.600 0.088 0.000 0.969 222 K CA -0.047 56.262 56.287 0.036 0.000 0.921 222 K CB 0.694 33.214 32.500 0.034 0.000 0.940 222 K HN 0.325 nan 8.250 nan 0.000 0.517 223 K N 1.914 122.357 120.400 0.072 0.000 1.991 223 K HA -0.175 4.145 4.320 -0.000 0.000 0.212 223 K C 0.847 177.512 176.600 0.109 0.000 1.049 223 K CA 2.162 58.500 56.287 0.085 0.000 0.932 223 K CB -0.479 32.056 32.500 0.059 0.000 0.717 223 K HN 0.682 nan 8.250 nan 0.000 0.441 224 D N -0.537 119.917 120.400 0.090 0.000 2.434 224 D HA 0.166 4.806 4.640 -0.000 0.000 0.232 224 D C 0.850 177.221 176.300 0.119 0.000 1.166 224 D CA 0.162 54.211 54.000 0.082 0.000 0.830 224 D CB 0.399 41.223 40.800 0.040 0.000 0.960 224 D HN 0.062 nan 8.370 nan 0.000 0.497 225 A N 0.018 122.962 122.820 0.207 0.000 2.016 225 A HA 0.026 4.346 4.320 -0.000 0.000 0.217 225 A C 0.187 178.007 177.584 0.395 0.000 1.162 225 A CA 0.372 52.608 52.037 0.332 0.000 0.662 225 A CB -0.278 18.966 19.000 0.408 0.000 0.812 225 A HN 0.449 nan 8.150 nan 0.000 0.450 226 Y N 0.400 120.778 120.300 0.130 0.000 2.326 226 Y HA 0.533 5.083 4.550 0.000 0.000 0.329 226 Y C -0.781 175.021 175.900 -0.164 0.000 0.973 226 Y CA -0.695 57.318 58.100 -0.145 0.000 1.162 226 Y CB 0.999 39.420 38.460 -0.065 0.000 1.147 226 Y HN 0.253 nan 8.280 nan 0.000 0.456 227 Q N 6.490 126.021 119.800 -0.448 0.000 2.323 227 Q HA 0.485 4.825 4.340 -0.000 0.000 0.271 227 Q C -1.276 174.388 176.000 -0.559 0.000 1.048 227 Q CA -1.047 54.546 55.803 -0.350 0.000 0.792 227 Q CB 2.735 31.330 28.738 -0.238 0.000 1.280 227 Q HN 0.580 nan 8.270 nan 0.000 0.441 228 I N 4.126 124.420 120.570 -0.461 0.000 2.301 228 I HA 0.086 4.256 4.170 -0.000 0.000 0.292 228 I C 0.826 176.696 176.117 -0.411 0.000 1.046 228 I CA 0.178 61.136 61.300 -0.570 0.000 1.282 228 I CB 0.743 38.233 38.000 -0.850 0.000 1.409 228 I HN 0.726 nan 8.210 nan 0.000 0.484 229 L N 5.464 126.418 121.223 -0.448 0.000 2.477 229 L HA 0.337 4.677 4.340 -0.000 0.000 0.220 229 L C 0.994 177.728 176.870 -0.226 0.000 1.106 229 L CA 0.106 54.723 54.840 -0.372 0.000 0.851 229 L CB 0.060 41.740 42.059 -0.632 0.000 0.994 229 L HN 0.797 nan 8.230 nan 0.000 0.462 230 G N -0.165 108.514 108.800 -0.202 0.000 2.338 230 G HA2 0.364 4.324 3.960 -0.000 0.000 0.295 230 G HA3 0.364 4.324 3.960 -0.000 0.000 0.295 230 G C -1.951 172.889 174.900 -0.099 0.000 1.461 230 G CA -0.455 44.591 45.100 -0.090 0.000 0.817 230 G HN -0.141 nan 8.290 nan 0.000 0.556 231 E N 0.605 120.779 120.200 -0.043 0.000 2.316 231 E HA 0.605 4.955 4.350 -0.000 0.000 0.254 231 E C -2.517 174.049 176.600 -0.057 0.000 0.902 231 E CA -1.504 54.879 56.400 -0.029 0.000 0.801 231 E CB 1.712 31.475 29.700 0.106 0.000 1.270 231 E HN 0.323 nan 8.360 nan 0.000 0.414 232 P HA 0.064 nan 4.420 nan 0.000 0.265 232 P C -0.789 176.497 177.300 -0.024 0.000 1.193 232 P CA 0.052 63.076 63.100 -0.127 0.000 0.765 232 P CB 0.558 32.093 31.700 -0.276 0.000 0.823 233 E N 3.089 123.290 120.200 0.001 0.000 2.105 233 E HA 0.198 4.548 4.350 -0.000 0.000 0.285 233 E C -0.014 176.617 176.600 0.051 0.000 1.055 233 E CA -0.217 56.199 56.400 0.027 0.000 0.843 233 E CB 0.593 30.306 29.700 0.022 0.000 1.067 233 E HN 0.403 nan 8.360 nan 0.000 0.398 234 L N 1.337 122.598 121.223 0.064 0.000 2.379 234 L HA 0.293 4.633 4.340 -0.000 0.000 0.269 234 L C 1.602 178.497 176.870 0.042 0.000 1.084 234 L CA -0.515 54.375 54.840 0.084 0.000 0.802 234 L CB 1.014 43.140 42.059 0.111 0.000 1.175 234 L HN 0.519 nan 8.230 nan 0.000 0.448 235 A N 2.327 125.165 122.820 0.030 0.000 1.877 235 A HA 0.095 4.415 4.320 -0.000 0.000 0.216 235 A C 1.000 178.564 177.584 -0.033 0.000 1.186 235 A CA 1.634 53.668 52.037 -0.005 0.000 0.620 235 A CB -0.521 18.469 19.000 -0.016 0.000 0.822 235 A HN 0.839 nan 8.150 nan 0.000 0.443 236 G N -4.586 104.190 108.800 -0.040 0.000 2.730 236 G HA2 0.482 4.442 3.960 -0.000 0.000 0.289 236 G HA3 0.482 4.442 3.960 -0.000 0.000 0.289 236 G C -0.487 174.390 174.900 -0.039 0.000 1.341 236 G CA -0.140 44.889 45.100 -0.118 0.000 0.932 236 G HN 0.453 nan 8.290 nan 0.000 0.481 237 H N -0.734 118.291 119.070 -0.074 0.000 2.677 237 H HA -0.172 4.384 4.556 -0.000 0.000 0.321 237 H C 1.620 176.915 175.328 -0.056 0.000 1.171 237 H CA 1.011 57.029 56.048 -0.050 0.000 1.139 237 H CB -1.345 28.407 29.762 -0.016 0.000 1.515 237 H HN 0.703 nan 8.280 nan 0.000 0.423 238 I N -1.971 118.574 120.570 -0.042 0.000 3.083 238 I HA -0.086 4.084 4.170 -0.000 0.000 0.273 238 I C 1.909 177.994 176.117 -0.052 0.000 1.297 238 I CA 1.679 62.958 61.300 -0.035 0.000 1.452 238 I CB -0.004 37.974 38.000 -0.037 0.000 1.078 238 I HN 0.272 nan 8.210 nan 0.000 0.484 239 T N -2.847 111.641 114.554 -0.110 0.000 3.092 239 T HA 0.147 4.497 4.350 -0.000 0.000 0.258 239 T C 0.759 175.533 174.700 0.123 0.000 1.031 239 T CA -0.084 61.981 62.100 -0.059 0.000 0.925 239 T CB -0.316 68.361 68.868 -0.319 0.000 1.036 239 T HN 0.304 nan 8.240 nan 0.000 0.544 240 T N 1.558 116.144 114.554 0.054 0.000 2.874 240 T HA 0.536 4.886 4.350 -0.000 0.000 0.281 240 T C -0.481 174.048 174.700 -0.284 0.000 0.994 240 T CA -0.370 61.690 62.100 -0.068 0.000 1.015 240 T CB 1.184 70.051 68.868 -0.002 0.000 1.028 240 T HN 0.337 nan 8.240 nan 0.000 0.523 241 S N 0.687 115.957 115.700 -0.716 0.000 2.502 241 S HA 0.709 5.179 4.470 -0.000 0.000 0.304 241 S C -0.276 174.110 174.600 -0.357 0.000 1.097 241 S CA -0.312 57.536 58.200 -0.586 0.000 1.045 241 S CB 1.027 63.650 63.200 -0.962 0.000 1.019 241 S HN 1.034 nan 8.310 nan 0.000 0.481 242 G N 5.134 113.837 108.800 -0.161 0.000 3.829 242 G HA2 0.403 4.363 3.960 -0.000 0.000 0.289 242 G HA3 0.403 4.363 3.960 -0.000 0.000 0.289 242 G C -3.136 171.694 174.900 -0.117 0.000 1.274 242 G CA -0.878 44.174 45.100 -0.079 0.000 0.698 242 G HN 0.549 nan 8.290 nan 0.000 0.488 243 P HA 0.104 nan 4.420 nan 0.000 0.275 243 P C -0.670 176.495 177.300 -0.226 0.000 1.266 243 P CA -0.285 62.684 63.100 -0.219 0.000 0.793 243 P CB 1.026 32.524 31.700 -0.337 0.000 1.074 244 H N -0.310 118.540 119.070 -0.367 0.000 2.705 244 H HA 0.280 4.836 4.556 0.000 0.000 0.291 244 H C -0.662 174.427 175.328 -0.397 0.000 1.085 244 H CA -0.330 55.504 56.048 -0.357 0.000 1.357 244 H CB 0.116 29.686 29.762 -0.320 0.000 1.419 244 H HN 0.216 nan 8.280 nan 0.000 0.462 245 T N 6.042 120.429 114.554 -0.279 0.000 2.823 245 T HA 0.274 4.624 4.350 -0.000 0.000 0.279 245 T C -0.274 174.100 174.700 -0.542 0.000 0.998 245 T CA -0.775 60.975 62.100 -0.582 0.000 0.994 245 T CB 1.511 69.950 68.868 -0.716 0.000 0.960 245 T HN 0.596 nan 8.240 nan 0.000 0.448 246 R N 2.261 122.368 120.500 -0.656 0.000 2.437 246 R HA 0.517 4.856 4.340 -0.000 0.000 0.310 246 R C -1.494 174.484 176.300 -0.538 0.000 0.955 246 R CA -0.630 55.202 56.100 -0.446 0.000 0.851 246 R CB 0.599 30.709 30.300 -0.317 0.000 1.161 246 R HN 0.474 nan 8.270 nan 0.000 0.446 247 F N 2.120 121.967 119.950 -0.171 0.000 2.410 247 F HA 0.335 4.862 4.527 -0.000 0.000 0.349 247 F C 0.199 176.020 175.800 0.035 0.000 1.117 247 F CA -0.279 57.674 58.000 -0.079 0.000 1.104 247 F CB 2.332 41.286 39.000 -0.077 0.000 1.122 247 F HN 0.311 nan 8.300 nan 0.000 0.483 248 T N 3.573 118.296 114.554 0.281 0.000 2.892 248 T HA 0.214 4.564 4.350 -0.000 0.000 0.311 248 T C -0.570 174.304 174.700 0.289 0.000 1.033 248 T CA -0.775 61.457 62.100 0.220 0.000 0.991 248 T CB 0.922 69.868 68.868 0.129 0.000 0.981 248 T HN 0.517 nan 8.240 nan 0.000 0.457 249 E N 1.226 121.584 120.200 0.263 0.000 2.269 249 E HA -0.211 4.139 4.350 -0.000 0.000 0.223 249 E C -0.634 176.213 176.600 0.413 0.000 1.244 249 E CA 0.390 56.952 56.400 0.270 0.000 0.713 249 E CB -1.147 28.695 29.700 0.237 0.000 1.178 249 E HN 0.707 nan 8.360 nan 0.000 0.370 250 F N 1.451 121.561 119.950 0.268 0.000 2.390 250 F HA 0.221 4.748 4.527 0.000 0.000 0.361 250 F C 0.648 176.609 175.800 0.267 0.000 1.124 250 F CA -0.643 57.557 58.000 0.333 0.000 1.149 250 F CB 0.453 39.721 39.000 0.447 0.000 1.160 250 F HN -0.049 nan 8.300 nan 0.000 0.501 251 H N 4.018 122.924 119.070 -0.273 0.000 2.580 251 H HA 0.566 5.122 4.556 0.000 0.000 0.322 251 H C -0.693 174.520 175.328 -0.192 0.000 1.082 251 H CA -0.425 55.536 56.048 -0.144 0.000 1.383 251 H CB 1.251 30.943 29.762 -0.118 0.000 1.450 251 H HN 0.377 nan 8.280 nan 0.000 0.505 252 V N 5.605 125.585 119.914 0.109 0.000 2.709 252 V HA 0.311 4.431 4.120 -0.000 0.000 0.308 252 V C -2.343 173.873 176.094 0.203 0.000 1.062 252 V CA -2.184 60.204 62.300 0.147 0.000 0.901 252 V CB 2.132 34.075 31.823 0.201 0.000 1.003 252 V HN 0.672 nan 8.190 nan 0.000 0.425 253 P HA 0.118 nan 4.420 nan 0.000 0.268 253 P C 0.555 178.027 177.300 0.287 0.000 1.204 253 P CA 0.128 63.352 63.100 0.207 0.000 0.768 253 P CB 0.430 32.228 31.700 0.164 0.000 0.842 254 H N 3.679 122.905 119.070 0.259 0.000 2.431 254 H HA -0.229 4.327 4.556 -0.000 0.000 0.297 254 H C 1.543 176.999 175.328 0.213 0.000 1.115 254 H CA 2.383 58.635 56.048 0.340 0.000 1.277 254 H CB -0.037 29.875 29.762 0.250 0.000 1.372 254 H HN 0.562 nan 8.280 nan 0.000 0.516 255 E N -0.840 119.432 120.200 0.121 0.000 2.265 255 E HA -0.171 4.179 4.350 -0.000 0.000 0.196 255 E C 1.176 177.806 176.600 0.049 0.000 0.996 255 E CA 1.270 57.703 56.400 0.054 0.000 0.832 255 E CB -0.096 29.675 29.700 0.118 0.000 0.756 255 E HN 0.408 nan 8.360 nan 0.000 0.491 256 N N 0.421 119.156 118.700 0.057 0.000 2.398 256 N HA 0.087 4.827 4.740 -0.000 0.000 0.188 256 N C -0.455 174.967 175.510 -0.147 0.000 1.122 256 N CA -0.016 53.035 53.050 0.002 0.000 0.866 256 N CB 0.224 38.738 38.487 0.045 0.000 0.970 256 N HN 0.181 nan 8.380 nan 0.000 0.462 257 L N 1.097 122.203 121.223 -0.194 0.000 2.361 257 L HA 0.144 4.484 4.340 -0.000 0.000 0.278 257 L C 1.138 177.867 176.870 -0.235 0.000 1.113 257 L CA -0.078 54.580 54.840 -0.303 0.000 0.849 257 L CB 0.598 42.410 42.059 -0.411 0.000 1.155 257 L HN -0.002 nan 8.230 nan 0.000 0.452 258 L N 5.976 127.063 121.223 -0.226 0.000 2.131 258 L HA 0.015 4.355 4.340 -0.000 0.000 0.210 258 L C 0.639 177.433 176.870 -0.126 0.000 1.092 258 L CA 1.494 56.231 54.840 -0.171 0.000 0.759 258 L CB -0.210 41.747 42.059 -0.170 0.000 0.903 258 L HN 0.951 nan 8.230 nan 0.000 0.435 259 C N -5.840 113.380 119.300 -0.134 0.000 3.216 259 C HA 0.402 4.862 4.460 -0.000 0.000 0.346 259 C C 0.188 175.129 174.990 -0.082 0.000 1.384 259 C CA -0.872 58.093 59.018 -0.089 0.000 1.208 259 C CB 0.281 27.977 27.740 -0.074 0.000 1.483 259 C HN 0.123 nan 8.230 nan 0.000 0.453 260 T N 3.387 117.921 114.554 -0.033 0.000 2.866 260 T HA 0.324 4.674 4.350 -0.000 0.000 0.293 260 T C -2.330 172.356 174.700 -0.022 0.000 1.005 260 T CA 0.599 62.702 62.100 0.005 0.000 1.162 260 T CB -0.359 68.524 68.868 0.024 0.000 0.968 260 T HN 0.720 nan 8.240 nan 0.000 0.530 261 P HA 0.412 nan 4.420 nan 0.000 0.267 261 P C 0.714 178.011 177.300 -0.006 0.000 1.200 261 P CA 0.553 63.630 63.100 -0.039 0.000 0.772 261 P CB 0.451 32.141 31.700 -0.015 0.000 0.855 262 G N 0.370 109.160 108.800 -0.017 0.000 2.250 262 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.252 262 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.252 262 G C 0.405 175.287 174.900 -0.029 0.000 1.325 262 G CA -0.454 44.637 45.100 -0.015 0.000 1.091 262 G HN 0.392 nan 8.290 nan 0.000 0.476 263 L N 0.512 121.714 121.223 -0.035 0.000 2.127 263 L HA -0.048 4.292 4.340 -0.000 0.000 0.211 263 L C 2.946 179.784 176.870 -0.052 0.000 1.089 263 L CA 1.930 56.742 54.840 -0.048 0.000 0.757 263 L CB -0.433 41.599 42.059 -0.045 0.000 0.899 263 L HN 0.530 nan 8.230 nan 0.000 0.434 264 K N 0.095 120.465 120.400 -0.050 0.000 2.103 264 K HA -0.067 4.253 4.320 -0.000 0.000 0.204 264 K C 2.308 178.870 176.600 -0.062 0.000 1.052 264 K CA 1.138 57.387 56.287 -0.063 0.000 0.945 264 K CB -0.194 32.273 32.500 -0.055 0.000 0.722 264 K HN 0.264 nan 8.250 nan 0.000 0.443 265 A N 1.625 124.417 122.820 -0.047 0.000 1.877 265 A HA -0.219 4.101 4.320 -0.000 0.000 0.216 265 A C 2.252 179.842 177.584 0.011 0.000 1.186 265 A CA 1.308 53.324 52.037 -0.035 0.000 0.620 265 A CB -0.495 18.482 19.000 -0.039 0.000 0.822 265 A HN 0.190 nan 8.150 nan 0.000 0.443 266 Q N 0.001 119.817 119.800 0.027 0.000 2.096 266 Q HA -0.169 4.171 4.340 -0.000 0.000 0.204 266 Q C 2.132 178.157 176.000 0.042 0.000 0.982 266 Q CA 2.210 58.059 55.803 0.075 0.000 0.850 266 Q CB -1.015 27.700 28.738 -0.039 0.000 0.901 266 Q HN 0.571 nan 8.270 nan 0.000 0.422 267 G N 0.958 109.733 108.800 -0.043 0.000 2.469 267 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.220 267 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.220 267 G C 1.617 176.430 174.900 -0.144 0.000 1.136 267 G CA 0.901 45.927 45.100 -0.122 0.000 0.759 267 G HN 0.374 nan 8.290 nan 0.000 0.562 268 L N 0.071 121.233 121.223 -0.101 0.000 2.093 268 L HA -0.060 4.280 4.340 -0.000 0.000 0.208 268 L C 3.007 179.832 176.870 -0.075 0.000 1.085 268 L CA 0.361 55.134 54.840 -0.111 0.000 0.755 268 L CB -0.420 41.579 42.059 -0.100 0.000 0.904 268 L HN 0.105 nan 8.230 nan 0.000 0.435 269 V N 0.016 119.930 119.914 0.001 0.000 2.261 269 V HA -0.317 3.803 4.120 -0.000 0.000 0.246 269 V C 2.469 178.651 176.094 0.146 0.000 1.047 269 V CA 2.138 64.471 62.300 0.054 0.000 1.015 269 V CB -0.554 31.361 31.823 0.152 0.000 0.642 269 V HN 0.523 nan 8.190 nan 0.000 0.446 270 E N 0.080 120.386 120.200 0.177 0.000 2.085 270 E HA -0.254 4.096 4.350 -0.000 0.000 0.194 270 E C 2.172 178.906 176.600 0.223 0.000 0.994 270 E CA 2.099 58.636 56.400 0.229 0.000 0.801 270 E CB -0.170 29.645 29.700 0.192 0.000 0.743 270 E HN 0.646 nan 8.360 nan 0.000 0.453 271 T N 0.556 115.119 114.554 0.015 0.000 2.737 271 T HA -0.089 4.261 4.350 -0.000 0.000 0.265 271 T C 1.892 176.630 174.700 0.064 0.000 1.038 271 T CA 1.283 63.355 62.100 -0.047 0.000 1.144 271 T CB -0.365 68.273 68.868 -0.383 0.000 0.866 271 T HN 0.367 nan 8.240 nan 0.000 0.434 272 A N 0.891 123.685 122.820 -0.043 0.000 1.883 272 A HA -0.050 4.270 4.320 -0.000 0.000 0.217 272 A C 2.021 179.528 177.584 -0.128 0.000 1.186 272 A CA 1.455 53.412 52.037 -0.134 0.000 0.624 272 A CB -1.128 17.708 19.000 -0.273 0.000 0.822 272 A HN 0.520 nan 8.150 nan 0.000 0.444 273 F N -0.275 119.648 119.950 -0.045 0.000 2.365 273 F HA -0.028 4.499 4.527 0.000 0.000 0.300 273 F C 2.632 178.427 175.800 -0.008 0.000 1.090 273 F CA 0.657 58.617 58.000 -0.065 0.000 1.408 273 F CB 0.055 38.992 39.000 -0.106 0.000 1.060 273 F HN 0.296 nan 8.300 nan 0.000 0.534 274 A N -0.290 122.684 122.820 0.257 0.000 1.930 274 A HA -0.126 4.194 4.320 -0.000 0.000 0.215 274 A C 2.147 179.815 177.584 0.140 0.000 1.176 274 A CA 1.000 53.165 52.037 0.214 0.000 0.632 274 A CB -0.545 18.674 19.000 0.366 0.000 0.819 274 A HN 0.295 nan 8.150 nan 0.000 0.445 275 M N 0.578 120.264 119.600 0.143 0.000 2.108 275 M HA -0.170 4.310 4.480 -0.000 0.000 0.261 275 M C 2.459 178.773 176.300 0.023 0.000 1.066 275 M CA 1.962 57.307 55.300 0.075 0.000 1.107 275 M CB -0.326 32.303 32.600 0.049 0.000 1.356 275 M HN 0.631 nan 8.290 nan 0.000 0.406 276 S N 0.192 115.889 115.700 -0.006 0.000 2.428 276 S HA 0.029 4.499 4.470 -0.000 0.000 0.230 276 S C 2.022 176.603 174.600 -0.031 0.000 1.014 276 S CA 0.714 58.886 58.200 -0.047 0.000 0.957 276 S CB -0.501 62.631 63.200 -0.113 0.000 0.784 276 S HN 0.427 nan 8.310 nan 0.000 0.499 277 A N 2.033 124.863 122.820 0.015 0.000 1.933 277 A HA 0.258 4.578 4.320 -0.000 0.000 0.218 277 A C 2.510 180.097 177.584 0.005 0.000 1.175 277 A CA 1.749 53.791 52.037 0.009 0.000 0.628 277 A CB -1.402 17.615 19.000 0.028 0.000 0.814 277 A HN 0.848 nan 8.150 nan 0.000 0.444 278 A N -0.411 122.418 122.820 0.014 0.000 1.872 278 A HA 0.074 4.394 4.320 -0.000 0.000 0.214 278 A C 2.154 179.751 177.584 0.020 0.000 1.187 278 A CA 1.306 53.358 52.037 0.025 0.000 0.614 278 A CB -0.565 18.457 19.000 0.035 0.000 0.826 278 A HN 0.442 nan 8.150 nan 0.000 0.442 279 L N -0.554 120.672 121.223 0.004 0.000 2.083 279 L HA -0.143 4.197 4.340 -0.000 0.000 0.209 279 L C 2.462 179.295 176.870 -0.062 0.000 1.083 279 L CA 0.799 55.634 54.840 -0.009 0.000 0.752 279 L CB -0.549 41.502 42.059 -0.013 0.000 0.899 279 L HN 0.225 nan 8.230 nan 0.000 0.433 280 V N 0.605 120.467 119.914 -0.087 0.000 2.439 280 V HA -0.306 3.814 4.120 -0.000 0.000 0.253 280 V C 2.570 178.552 176.094 -0.186 0.000 1.074 280 V CA 2.089 64.306 62.300 -0.139 0.000 1.076 280 V CB -1.110 30.671 31.823 -0.070 0.000 0.664 280 V HN 0.627 nan 8.190 nan 0.000 0.461 281 G N -0.795 107.950 108.800 -0.090 0.000 2.442 281 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.219 281 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.219 281 G C 1.706 176.548 174.900 -0.097 0.000 1.141 281 G CA 1.000 46.059 45.100 -0.069 0.000 0.763 281 G HN 0.653 nan 8.290 nan 0.000 0.554 282 A N 0.268 123.042 122.820 -0.077 0.000 1.968 282 A HA 0.177 4.497 4.320 -0.000 0.000 0.217 282 A C 2.428 179.923 177.584 -0.148 0.000 1.169 282 A CA 1.506 53.520 52.037 -0.039 0.000 0.638 282 A CB -0.259 18.769 19.000 0.046 0.000 0.812 282 A HN 0.393 nan 8.150 nan 0.000 0.446 283 M N -0.461 118.905 119.600 -0.391 0.000 2.099 283 M HA -0.095 4.385 4.480 -0.000 0.000 0.262 283 M C 2.567 178.491 176.300 -0.628 0.000 1.067 283 M CA 1.480 56.297 55.300 -0.805 0.000 1.124 283 M CB -0.423 31.417 32.600 -1.267 0.000 1.353 283 M HN 0.431 nan 8.290 nan 0.000 0.410 284 A N 0.746 123.156 122.820 -0.684 0.000 1.883 284 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 284 A C 2.113 179.657 177.584 -0.068 0.000 1.186 284 A CA 1.671 53.478 52.037 -0.383 0.000 0.624 284 A CB -1.053 17.811 19.000 -0.227 0.000 0.822 284 A HN 0.455 nan 8.150 nan 0.000 0.444 285 I N -0.269 120.258 120.570 -0.073 0.000 2.163 285 I HA -0.263 3.907 4.170 -0.000 0.000 0.243 285 I C 2.729 178.882 176.117 0.059 0.000 1.085 285 I CA 1.284 62.581 61.300 -0.005 0.000 1.347 285 I CB -0.697 37.295 38.000 -0.014 0.000 1.044 285 I HN 0.410 nan 8.210 nan 0.000 0.408 286 G N -0.068 108.784 108.800 0.086 0.000 2.446 286 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.217 286 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.217 286 G C 1.653 176.678 174.900 0.208 0.000 1.168 286 G CA 1.550 46.759 45.100 0.182 0.000 0.771 286 G HN 0.297 nan 8.290 nan 0.000 0.551 287 T N 1.544 116.247 114.554 0.249 0.000 2.674 287 T HA 0.024 4.374 4.350 -0.000 0.000 0.265 287 T C 2.829 177.642 174.700 0.189 0.000 1.039 287 T CA 1.660 63.920 62.100 0.266 0.000 1.150 287 T CB -0.422 68.704 68.868 0.430 0.000 0.864 287 T HN 0.373 nan 8.240 nan 0.000 0.427 288 A N 1.410 124.333 122.820 0.171 0.000 1.930 288 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 288 A C 2.279 179.968 177.584 0.174 0.000 1.175 288 A CA 1.658 53.784 52.037 0.149 0.000 0.627 288 A CB -0.568 18.489 19.000 0.097 0.000 0.815 288 A HN 0.408 nan 8.150 nan 0.000 0.443 289 R N -0.321 120.274 120.500 0.158 0.000 2.091 289 R HA -0.137 4.203 4.340 -0.000 0.000 0.238 289 R C 2.292 178.725 176.300 0.222 0.000 1.136 289 R CA 1.471 57.696 56.100 0.208 0.000 0.959 289 R CB -0.404 29.989 30.300 0.155 0.000 0.856 289 R HN 0.447 nan 8.270 nan 0.000 0.437 290 A N 0.651 123.558 122.820 0.144 0.000 1.908 290 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 290 A C 2.338 179.939 177.584 0.029 0.000 1.181 290 A CA 1.761 53.839 52.037 0.068 0.000 0.627 290 A CB -0.775 18.245 19.000 0.034 0.000 0.818 290 A HN 0.552 nan 8.150 nan 0.000 0.445 291 A N -0.801 122.078 122.820 0.099 0.000 1.858 291 A HA -0.045 4.275 4.320 -0.000 0.000 0.216 291 A C 2.076 179.847 177.584 0.311 0.000 1.190 291 A CA 1.695 53.854 52.037 0.203 0.000 0.617 291 A CB -0.890 18.291 19.000 0.302 0.000 0.827 291 A HN 0.833 nan 8.150 nan 0.000 0.443 292 F N 1.089 121.125 119.950 0.143 0.000 2.091 292 F HA -0.215 4.312 4.527 0.000 0.000 0.299 292 F C 2.137 178.004 175.800 0.111 0.000 1.103 292 F CA 2.430 60.502 58.000 0.120 0.000 1.228 292 F CB -0.420 38.626 39.000 0.076 0.000 0.984 292 F HN 0.387 nan 8.300 nan 0.000 0.477 293 E N -0.204 119.933 120.200 -0.105 0.000 2.072 293 E HA -0.247 4.103 4.350 -0.000 0.000 0.191 293 E C 2.170 178.680 176.600 -0.150 0.000 0.985 293 E CA 1.257 57.510 56.400 -0.246 0.000 0.801 293 E CB -0.312 29.371 29.700 -0.029 0.000 0.750 293 E HN 0.622 nan 8.360 nan 0.000 0.452 294 E N 0.611 120.774 120.200 -0.062 0.000 2.077 294 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 294 E C 1.977 178.655 176.600 0.129 0.000 0.989 294 E CA 1.020 57.403 56.400 -0.029 0.000 0.800 294 E CB -0.023 29.535 29.700 -0.237 0.000 0.746 294 E HN 0.220 nan 8.360 nan 0.000 0.452 295 A N 0.767 123.711 122.820 0.206 0.000 1.930 295 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 295 A C 2.108 179.727 177.584 0.059 0.000 1.175 295 A CA 1.151 53.304 52.037 0.195 0.000 0.627 295 A CB -0.583 18.512 19.000 0.157 0.000 0.815 295 A HN 0.382 nan 8.150 nan 0.000 0.443 296 L N -0.071 121.049 121.223 -0.172 0.000 2.017 296 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 296 L C 2.367 179.171 176.870 -0.109 0.000 1.073 296 L CA 1.909 56.602 54.840 -0.246 0.000 0.745 296 L CB -0.519 41.178 42.059 -0.603 0.000 0.894 296 L HN 0.143 nan 8.230 nan 0.000 0.432 297 V N -0.413 119.453 119.914 -0.081 0.000 2.255 297 V HA -0.336 3.784 4.120 -0.000 0.000 0.247 297 V C 2.332 178.424 176.094 -0.004 0.000 1.051 297 V CA 2.288 64.561 62.300 -0.045 0.000 1.018 297 V CB -0.931 30.878 31.823 -0.025 0.000 0.641 297 V HN 0.552 nan 8.190 nan 0.000 0.445 298 F N 1.484 121.401 119.950 -0.054 0.000 2.065 298 F HA -0.269 4.258 4.527 -0.000 0.000 0.298 298 F C 2.304 178.076 175.800 -0.047 0.000 1.112 298 F CA 1.880 59.865 58.000 -0.025 0.000 1.212 298 F CB -0.565 38.456 39.000 0.035 0.000 0.975 298 F HN 0.082 nan 8.300 nan 0.000 0.476 299 A N -0.221 122.667 122.820 0.112 0.000 2.019 299 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 299 A C 2.036 179.550 177.584 -0.116 0.000 1.164 299 A CA 1.697 53.752 52.037 0.031 0.000 0.644 299 A CB -0.553 18.498 19.000 0.085 0.000 0.805 299 A HN 0.507 nan 8.150 nan 0.000 0.449 300 K N -0.328 119.955 120.400 -0.195 0.000 2.358 300 K HA 0.074 4.394 4.320 -0.000 0.000 0.197 300 K C 1.122 177.292 176.600 -0.718 0.000 1.025 300 K CA 0.848 56.937 56.287 -0.330 0.000 1.104 300 K CB 0.338 32.716 32.500 -0.203 0.000 0.855 300 K HN 0.589 nan 8.250 nan 0.000 0.531 301 S N -0.827 114.526 115.700 -0.577 0.000 2.632 301 S HA 0.105 4.575 4.470 -0.000 0.000 0.237 301 S C 0.042 174.414 174.600 -0.379 0.000 1.037 301 S CA -0.482 57.383 58.200 -0.559 0.000 1.009 301 S CB 0.542 63.566 63.200 -0.294 0.000 0.974 301 S HN 0.049 nan 8.310 nan 0.000 0.544 302 D N 1.817 121.967 120.400 -0.416 0.000 2.505 302 D HA 0.333 4.973 4.640 -0.000 0.000 0.249 302 D C 0.333 176.539 176.300 -0.157 0.000 1.082 302 D CA -0.028 53.734 54.000 -0.397 0.000 0.839 302 D CB 2.469 42.642 40.800 -1.045 0.000 1.317 302 D HN 0.206 nan 8.370 nan 0.000 0.497 303 T N 0.182 114.715 114.554 -0.036 0.000 3.060 303 T HA 0.063 4.413 4.350 -0.000 0.000 0.249 303 T C 0.864 175.589 174.700 0.042 0.000 1.079 303 T CA -0.237 61.876 62.100 0.021 0.000 1.013 303 T CB 0.131 68.999 68.868 0.000 0.000 0.975 303 T HN 0.474 nan 8.240 nan 0.000 0.518 304 R N 1.104 121.613 120.500 0.016 0.000 3.251 304 R HA -0.174 4.166 4.340 -0.000 0.000 0.249 304 R C 1.288 177.622 176.300 0.057 0.000 0.949 304 R CA 0.727 56.868 56.100 0.068 0.000 0.645 304 R CB -2.565 27.810 30.300 0.125 0.000 1.065 304 R HN 1.080 nan 8.270 nan 0.000 0.452 305 G N -1.925 106.896 108.800 0.036 0.000 2.166 305 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.260 305 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.260 305 G C 0.628 175.545 174.900 0.027 0.000 0.986 305 G CA 0.941 46.058 45.100 0.028 0.000 0.683 305 G HN 0.879 nan 8.290 nan 0.000 0.527 306 G N -0.942 107.881 108.800 0.039 0.000 2.736 306 G HA2 0.652 4.612 3.960 -0.000 0.000 0.229 306 G HA3 0.652 4.612 3.960 -0.000 0.000 0.229 306 G C 1.171 176.077 174.900 0.010 0.000 1.380 306 G CA 0.843 45.969 45.100 0.044 0.000 1.040 306 G HN 1.212 nan 8.290 nan 0.000 0.568 307 S N -1.756 113.945 115.700 0.001 0.000 2.523 307 S HA 0.244 4.714 4.470 -0.000 0.000 0.217 307 S C 0.544 175.082 174.600 -0.102 0.000 0.996 307 S CA 0.079 58.254 58.200 -0.042 0.000 0.921 307 S CB -0.150 63.033 63.200 -0.028 0.000 0.829 307 S HN 0.742 nan 8.310 nan 0.000 0.495 308 K N 0.185 120.517 120.400 -0.114 0.000 2.512 308 K HA 0.457 4.777 4.320 -0.000 0.000 0.263 308 K C -1.357 175.128 176.600 -0.191 0.000 0.966 308 K CA -0.935 55.220 56.287 -0.220 0.000 0.851 308 K CB 0.633 33.009 32.500 -0.205 0.000 1.395 308 K HN -0.018 nan 8.250 nan 0.000 0.440 309 H N 1.843 120.833 119.070 -0.132 0.000 2.972 309 H HA 0.005 4.561 4.556 -0.000 0.000 0.343 309 H C 1.326 176.549 175.328 -0.176 0.000 1.054 309 H CA 0.299 56.264 56.048 -0.138 0.000 1.412 309 H CB 0.636 30.328 29.762 -0.118 0.000 1.385 309 H HN 0.765 nan 8.280 nan 0.000 0.600 310 I N 0.192 120.781 120.570 0.031 0.000 2.756 310 I HA -0.103 4.067 4.170 -0.000 0.000 0.262 310 I C 2.151 178.288 176.117 0.034 0.000 1.225 310 I CA 0.995 62.336 61.300 0.068 0.000 1.472 310 I CB -0.195 37.940 38.000 0.225 0.000 1.094 310 I HN 0.439 nan 8.210 nan 0.000 0.454 311 I N 1.590 122.172 120.570 0.019 0.000 2.700 311 I HA -0.206 3.964 4.170 -0.000 0.000 0.261 311 I C 2.059 178.166 176.117 -0.017 0.000 1.219 311 I CA 1.259 62.572 61.300 0.022 0.000 1.463 311 I CB -0.141 37.869 38.000 0.017 0.000 1.092 311 I HN 0.256 nan 8.210 nan 0.000 0.452 312 E N -0.048 120.082 120.200 -0.117 0.000 2.435 312 E HA -0.023 4.327 4.350 -0.000 0.000 0.195 312 E C 0.092 176.587 176.600 -0.176 0.000 1.029 312 E CA 0.327 56.632 56.400 -0.159 0.000 0.865 312 E CB -0.174 29.408 29.700 -0.197 0.000 0.833 312 E HN 0.537 nan 8.360 nan 0.000 0.510 313 H N 1.271 120.359 119.070 0.031 0.000 2.690 313 H HA 0.145 4.701 4.556 -0.000 0.000 0.314 313 H C 1.285 176.630 175.328 0.028 0.000 1.069 313 H CA 0.055 56.118 56.048 0.026 0.000 1.436 313 H CB 0.951 30.729 29.762 0.027 0.000 1.462 313 H HN 0.107 nan 8.280 nan 0.000 0.511 314 Q N 1.963 121.846 119.800 0.139 0.000 2.112 314 Q HA -0.138 4.202 4.340 -0.000 0.000 0.206 314 Q C 1.848 177.895 176.000 0.079 0.000 0.987 314 Q CA 1.710 57.564 55.803 0.084 0.000 0.858 314 Q CB 0.105 28.879 28.738 0.060 0.000 0.905 314 Q HN 0.531 nan 8.270 nan 0.000 0.420 315 S N 0.145 115.893 115.700 0.080 0.000 2.382 315 S HA -0.114 4.356 4.470 -0.000 0.000 0.228 315 S C 2.105 176.747 174.600 0.070 0.000 1.027 315 S CA 1.107 59.341 58.200 0.057 0.000 0.991 315 S CB -0.124 63.095 63.200 0.032 0.000 0.823 315 S HN 0.162 nan 8.310 nan 0.000 0.469 316 V N 1.830 121.807 119.914 0.105 0.000 2.323 316 V HA -0.139 3.981 4.120 -0.000 0.000 0.244 316 V C 2.654 178.805 176.094 0.095 0.000 1.041 316 V CA 1.602 63.967 62.300 0.107 0.000 1.025 316 V CB -1.234 30.681 31.823 0.153 0.000 0.656 316 V HN 0.525 nan 8.190 nan 0.000 0.451 317 A N 0.041 122.915 122.820 0.091 0.000 1.908 317 A HA -0.286 4.034 4.320 -0.000 0.000 0.218 317 A C 1.971 179.602 177.584 0.080 0.000 1.181 317 A CA 2.155 54.242 52.037 0.082 0.000 0.627 317 A CB -0.738 18.301 19.000 0.066 0.000 0.818 317 A HN 0.536 nan 8.150 nan 0.000 0.445 318 D N -0.079 120.360 120.400 0.066 0.000 2.133 318 D HA -0.146 4.494 4.640 -0.000 0.000 0.195 318 D C 1.923 178.259 176.300 0.060 0.000 0.997 318 D CA 1.269 55.301 54.000 0.055 0.000 0.840 318 D CB -0.138 40.688 40.800 0.043 0.000 0.947 318 D HN 0.257 nan 8.370 nan 0.000 0.452 319 K N 0.377 120.817 120.400 0.066 0.000 2.026 319 K HA -0.024 4.296 4.320 -0.000 0.000 0.208 319 K C 2.426 179.093 176.600 0.113 0.000 1.048 319 K CA 0.397 56.727 56.287 0.070 0.000 0.929 319 K CB -0.742 31.793 32.500 0.058 0.000 0.713 319 K HN 0.266 nan 8.250 nan 0.000 0.439 320 L N 0.583 121.897 121.223 0.150 0.000 2.131 320 L HA -0.110 4.230 4.340 -0.000 0.000 0.210 320 L C 2.420 179.437 176.870 0.246 0.000 1.092 320 L CA 0.783 55.784 54.840 0.269 0.000 0.759 320 L CB -0.392 41.812 42.059 0.241 0.000 0.903 320 L HN 0.080 nan 8.230 nan 0.000 0.435 321 I N -0.145 120.507 120.570 0.137 0.000 2.179 321 I HA -0.283 3.887 4.170 -0.000 0.000 0.242 321 I C 2.092 178.224 176.117 0.025 0.000 1.088 321 I CA 1.235 62.579 61.300 0.073 0.000 1.357 321 I CB -0.349 37.684 38.000 0.054 0.000 1.051 321 I HN 0.266 nan 8.210 nan 0.000 0.409 322 D N 0.484 120.905 120.400 0.035 0.000 2.117 322 D HA -0.153 4.487 4.640 -0.000 0.000 0.197 322 D C 2.294 178.586 176.300 -0.014 0.000 0.987 322 D CA 1.179 55.186 54.000 0.012 0.000 0.829 322 D CB -0.519 40.295 40.800 0.023 0.000 0.961 322 D HN 0.366 nan 8.370 nan 0.000 0.460 323 C N 0.776 120.083 119.300 0.012 0.000 2.413 323 C HA -0.160 4.300 4.460 -0.000 0.000 0.277 323 C C 2.594 177.417 174.990 -0.279 0.000 1.228 323 C CA 0.787 59.782 59.018 -0.037 0.000 1.731 323 C CB -0.673 27.171 27.740 0.173 0.000 2.042 323 C HN 0.267 nan 8.230 nan 0.000 0.468 324 K N 1.203 121.351 120.400 -0.419 0.000 2.032 324 K HA -0.078 4.242 4.320 -0.000 0.000 0.209 324 K C 1.626 178.043 176.600 -0.306 0.000 1.048 324 K CA 1.670 57.586 56.287 -0.619 0.000 0.927 324 K CB -0.700 31.559 32.500 -0.401 0.000 0.712 324 K HN 0.527 nan 8.250 nan 0.000 0.441 325 I N 0.420 120.892 120.570 -0.164 0.000 2.163 325 I HA -0.333 3.837 4.170 -0.000 0.000 0.243 325 I C 2.410 178.492 176.117 -0.059 0.000 1.085 325 I CA 1.509 62.754 61.300 -0.092 0.000 1.347 325 I CB -0.244 37.732 38.000 -0.041 0.000 1.044 325 I HN 0.201 nan 8.210 nan 0.000 0.408 326 R N 0.394 120.860 120.500 -0.057 0.000 2.081 326 R HA -0.144 4.196 4.340 -0.000 0.000 0.235 326 R C 2.306 178.578 176.300 -0.046 0.000 1.131 326 R CA 1.269 57.355 56.100 -0.024 0.000 0.960 326 R CB -0.340 29.916 30.300 -0.073 0.000 0.856 326 R HN 0.350 nan 8.270 nan 0.000 0.436 327 L N 0.057 121.199 121.223 -0.135 0.000 2.109 327 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 327 L C 2.488 179.272 176.870 -0.143 0.000 1.086 327 L CA 1.033 55.785 54.840 -0.147 0.000 0.760 327 L CB -0.227 41.690 42.059 -0.238 0.000 0.910 327 L HN 0.116 nan 8.230 nan 0.000 0.437 328 E N 0.113 120.215 120.200 -0.163 0.000 2.047 328 E HA -0.187 4.163 4.350 -0.000 0.000 0.191 328 E C 2.155 178.663 176.600 -0.154 0.000 0.987 328 E CA 2.052 58.345 56.400 -0.179 0.000 0.799 328 E CB -0.207 29.388 29.700 -0.175 0.000 0.752 328 E HN 0.483 nan 8.360 nan 0.000 0.449 329 T N -2.062 112.447 114.554 -0.075 0.000 2.746 329 T HA -0.094 4.256 4.350 -0.000 0.000 0.267 329 T C 2.211 176.923 174.700 0.020 0.000 1.039 329 T CA 1.455 63.528 62.100 -0.045 0.000 1.142 329 T CB -0.638 68.230 68.868 -0.001 0.000 0.866 329 T HN 0.007 nan 8.240 nan 0.000 0.444 330 S N 1.173 116.960 115.700 0.146 0.000 2.365 330 S HA -0.116 4.354 4.470 -0.000 0.000 0.225 330 S C 2.166 176.752 174.600 -0.023 0.000 1.039 330 S CA 1.479 59.768 58.200 0.147 0.000 1.033 330 S CB -0.428 62.814 63.200 0.070 0.000 0.887 330 S HN 0.570 nan 8.310 nan 0.000 0.447 331 R N 0.302 120.710 120.500 -0.154 0.000 2.075 331 R HA -0.035 4.305 4.340 -0.000 0.000 0.232 331 R C 1.990 177.998 176.300 -0.487 0.000 1.126 331 R CA 0.996 56.882 56.100 -0.357 0.000 0.963 331 R CB -0.343 29.660 30.300 -0.495 0.000 0.858 331 R HN 0.241 nan 8.270 nan 0.000 0.435 332 L N 0.890 121.903 121.223 -0.349 0.000 2.042 332 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 332 L C 2.247 179.105 176.870 -0.019 0.000 1.076 332 L CA 1.361 56.092 54.840 -0.182 0.000 0.749 332 L CB -0.923 41.051 42.059 -0.142 0.000 0.893 332 L HN 0.267 nan 8.230 nan 0.000 0.432 333 L N -1.430 119.773 121.223 -0.034 0.000 2.072 333 L HA -0.104 4.236 4.340 -0.000 0.000 0.205 333 L C 2.418 179.331 176.870 0.071 0.000 1.079 333 L CA 1.317 56.164 54.840 0.012 0.000 0.752 333 L CB -0.463 41.588 42.059 -0.014 0.000 0.906 333 L HN 0.011 nan 8.230 nan 0.000 0.436 334 V N -1.262 118.701 119.914 0.080 0.000 2.287 334 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 334 V C 2.279 178.553 176.094 0.301 0.000 1.053 334 V CA 2.010 64.404 62.300 0.157 0.000 1.027 334 V CB -0.893 31.023 31.823 0.156 0.000 0.646 334 V HN 0.526 nan 8.190 nan 0.000 0.447 335 W N 0.554 121.878 121.300 0.041 0.000 2.355 335 W HA -0.119 4.541 4.660 -0.000 0.000 0.309 335 W C 2.537 179.073 176.519 0.027 0.000 1.206 335 W CA 1.380 58.750 57.345 0.043 0.000 1.284 335 W CB -1.224 28.281 29.460 0.075 0.000 1.145 335 W HN 0.181 nan 8.180 nan 0.000 0.502 336 K N 0.863 121.424 120.400 0.268 0.000 2.089 336 K HA -0.198 4.122 4.320 -0.000 0.000 0.210 336 K C 2.058 178.709 176.600 0.086 0.000 1.048 336 K CA 2.406 58.774 56.287 0.135 0.000 0.926 336 K CB -0.901 31.656 32.500 0.096 0.000 0.714 336 K HN -0.028 nan 8.250 nan 0.000 0.448 337 A N 0.085 122.958 122.820 0.090 0.000 1.898 337 A HA -0.072 4.248 4.320 -0.000 0.000 0.216 337 A C 2.306 179.917 177.584 0.046 0.000 1.181 337 A CA 1.879 53.946 52.037 0.049 0.000 0.620 337 A CB -0.900 18.128 19.000 0.045 0.000 0.819 337 A HN 0.285 nan 8.150 nan 0.000 0.442 338 V N -3.346 116.612 119.914 0.073 0.000 2.548 338 V HA -0.108 4.012 4.120 -0.000 0.000 0.249 338 V C 2.130 178.243 176.094 0.031 0.000 1.055 338 V CA 2.515 64.846 62.300 0.052 0.000 1.065 338 V CB -1.575 30.281 31.823 0.055 0.000 0.681 338 V HN 0.359 nan 8.190 nan 0.000 0.462 339 T N 0.965 115.537 114.554 0.030 0.000 2.821 339 T HA -0.119 4.231 4.350 -0.000 0.000 0.267 339 T C 1.933 176.638 174.700 0.008 0.000 1.046 339 T CA 2.306 64.411 62.100 0.008 0.000 1.139 339 T CB -0.483 68.389 68.868 0.006 0.000 0.871 339 T HN 0.701 nan 8.240 nan 0.000 0.454 340 T N 2.367 116.927 114.554 0.011 0.000 2.777 340 T HA 0.057 4.407 4.350 -0.000 0.000 0.266 340 T C 1.950 176.655 174.700 0.008 0.000 1.040 340 T CA 0.804 62.903 62.100 -0.001 0.000 1.141 340 T CB -0.387 68.471 68.868 -0.017 0.000 0.868 340 T HN 0.253 nan 8.240 nan 0.000 0.444 341 L N 0.647 121.882 121.223 0.020 0.000 2.083 341 L HA -0.074 4.266 4.340 -0.000 0.000 0.209 341 L C 2.448 179.363 176.870 0.076 0.000 1.083 341 L CA 1.356 56.231 54.840 0.060 0.000 0.752 341 L CB -0.457 41.647 42.059 0.074 0.000 0.899 341 L HN 0.304 nan 8.230 nan 0.000 0.433 342 E N -0.911 119.316 120.200 0.045 0.000 2.502 342 E HA -0.087 4.263 4.350 -0.000 0.000 0.194 342 E C 0.074 176.691 176.600 0.029 0.000 1.062 342 E CA -0.120 56.301 56.400 0.034 0.000 0.867 342 E CB 0.112 29.821 29.700 0.016 0.000 0.888 342 E HN 0.217 nan 8.360 nan 0.000 0.510 343 D N 1.146 121.565 120.400 0.032 0.000 2.380 343 D HA 0.018 4.658 4.640 -0.000 0.000 0.230 343 D C 0.454 176.777 176.300 0.038 0.000 1.154 343 D CA 0.045 54.059 54.000 0.024 0.000 0.859 343 D CB 0.776 41.584 40.800 0.013 0.000 1.045 343 D HN 0.005 nan 8.370 nan 0.000 0.495 344 E N 2.214 122.433 120.200 0.032 0.000 2.268 344 E HA -0.133 4.217 4.350 -0.000 0.000 0.195 344 E C 1.495 178.117 176.600 0.037 0.000 0.995 344 E CA 0.628 57.050 56.400 0.037 0.000 0.836 344 E CB 0.197 29.911 29.700 0.025 0.000 0.763 344 E HN 0.542 nan 8.360 nan 0.000 0.491 345 A N 0.812 123.649 122.820 0.029 0.000 2.119 345 A HA 0.032 4.352 4.320 -0.000 0.000 0.216 345 A C 1.063 178.666 177.584 0.032 0.000 1.152 345 A CA 0.350 52.403 52.037 0.026 0.000 0.708 345 A CB -0.052 18.959 19.000 0.019 0.000 0.805 345 A HN 0.054 nan 8.150 nan 0.000 0.460 346 L N 1.193 122.438 121.223 0.037 0.000 2.325 346 L HA 0.287 4.627 4.340 -0.000 0.000 0.279 346 L C 0.398 177.305 176.870 0.061 0.000 1.054 346 L CA -0.853 54.008 54.840 0.034 0.000 0.804 346 L CB 1.224 43.292 42.059 0.015 0.000 1.200 346 L HN 0.445 nan 8.230 nan 0.000 0.436 347 E N 1.947 122.181 120.200 0.057 0.000 2.349 347 E HA -0.066 4.284 4.350 -0.000 0.000 0.262 347 E C 0.514 177.189 176.600 0.126 0.000 1.088 347 E CA -0.661 55.800 56.400 0.100 0.000 0.899 347 E CB 1.097 30.846 29.700 0.081 0.000 1.044 347 E HN 0.791 nan 8.360 nan 0.000 0.420 348 W N 3.255 124.559 121.300 0.007 0.000 2.318 348 W HA -0.312 4.348 4.660 -0.000 0.000 0.313 348 W C 1.706 178.232 176.519 0.013 0.000 1.221 348 W CA 2.349 59.699 57.345 0.008 0.000 1.266 348 W CB 0.059 29.522 29.460 0.005 0.000 1.150 348 W HN 0.752 nan 8.180 nan 0.000 0.496 349 K N -0.078 120.263 120.400 -0.097 0.000 2.152 349 K HA -0.183 4.137 4.320 -0.000 0.000 0.206 349 K C 1.615 178.089 176.600 -0.211 0.000 1.048 349 K CA 2.006 58.184 56.287 -0.182 0.000 0.933 349 K CB -1.006 31.486 32.500 -0.013 0.000 0.721 349 K HN 0.098 nan 8.250 nan 0.000 0.447 350 V N 1.845 121.669 119.914 -0.150 0.000 2.358 350 V HA -0.186 3.934 4.120 -0.000 0.000 0.246 350 V C 2.229 178.200 176.094 -0.206 0.000 1.047 350 V CA 1.880 64.103 62.300 -0.128 0.000 1.035 350 V CB -0.457 31.322 31.823 -0.074 0.000 0.658 350 V HN 0.363 nan 8.190 nan 0.000 0.452 351 K N -0.101 120.119 120.400 -0.300 0.000 2.057 351 K HA -0.171 4.149 4.320 -0.000 0.000 0.207 351 K C 2.117 178.381 176.600 -0.559 0.000 1.049 351 K CA 1.435 57.494 56.287 -0.381 0.000 0.931 351 K CB -0.382 31.881 32.500 -0.396 0.000 0.714 351 K HN 0.282 nan 8.250 nan 0.000 0.440 352 L N 1.820 122.525 121.223 -0.863 0.000 2.027 352 L HA -0.148 4.192 4.340 -0.000 0.000 0.206 352 L C 2.380 179.056 176.870 -0.323 0.000 1.074 352 L CA 1.786 56.202 54.840 -0.707 0.000 0.745 352 L CB -0.367 41.226 42.059 -0.777 0.000 0.898 352 L HN 0.165 nan 8.230 nan 0.000 0.433 353 E N -0.640 119.412 120.200 -0.247 0.000 2.118 353 E HA -0.299 4.051 4.350 -0.000 0.000 0.195 353 E C 2.139 178.678 176.600 -0.102 0.000 0.992 353 E CA 1.863 58.183 56.400 -0.133 0.000 0.804 353 E CB -0.120 29.544 29.700 -0.059 0.000 0.741 353 E HN 0.498 nan 8.360 nan 0.000 0.458 354 M N 0.523 120.054 119.600 -0.116 0.000 2.175 354 M HA -0.035 4.445 4.480 -0.000 0.000 0.264 354 M C 2.006 178.270 176.300 -0.059 0.000 1.063 354 M CA 1.788 57.045 55.300 -0.072 0.000 1.119 354 M CB -0.366 32.193 32.600 -0.068 0.000 1.377 354 M HN 0.090 nan 8.290 nan 0.000 0.415 355 A N 0.042 122.806 122.820 -0.094 0.000 1.930 355 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 355 A C 2.055 179.620 177.584 -0.030 0.000 1.175 355 A CA 1.781 53.785 52.037 -0.055 0.000 0.627 355 A CB -0.587 18.370 19.000 -0.072 0.000 0.815 355 A HN 0.536 nan 8.150 nan 0.000 0.443 356 M N -0.369 119.202 119.600 -0.049 0.000 2.067 356 M HA -0.193 4.287 4.480 -0.000 0.000 0.260 356 M C 2.253 178.551 176.300 -0.002 0.000 1.069 356 M CA 1.580 56.863 55.300 -0.028 0.000 1.117 356 M CB -1.736 30.836 32.600 -0.047 0.000 1.334 356 M HN 0.521 nan 8.290 nan 0.000 0.407 357 Q N -0.538 119.260 119.800 -0.005 0.000 2.077 357 Q HA -0.179 4.161 4.340 -0.000 0.000 0.206 357 Q C 2.037 178.076 176.000 0.066 0.000 0.989 357 Q CA 2.352 58.169 55.803 0.023 0.000 0.853 357 Q CB -0.388 28.353 28.738 0.004 0.000 0.907 357 Q HN 0.542 nan 8.270 nan 0.000 0.418 358 T N 0.996 115.579 114.554 0.049 0.000 2.684 358 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 358 T C 1.732 176.485 174.700 0.088 0.000 1.036 358 T CA 1.145 63.291 62.100 0.077 0.000 1.148 358 T CB -0.111 68.786 68.868 0.050 0.000 0.863 358 T HN 0.132 nan 8.240 nan 0.000 0.436 359 K N 0.987 121.419 120.400 0.053 0.000 2.026 359 K HA -0.015 4.305 4.320 -0.000 0.000 0.208 359 K C 2.306 178.942 176.600 0.060 0.000 1.048 359 K CA 1.244 57.558 56.287 0.045 0.000 0.929 359 K CB -0.609 31.906 32.500 0.025 0.000 0.713 359 K HN 0.367 nan 8.250 nan 0.000 0.439 360 I N 0.063 120.671 120.570 0.064 0.000 2.127 360 I HA -0.334 3.836 4.170 -0.000 0.000 0.241 360 I C 2.511 178.679 176.117 0.085 0.000 1.075 360 I CA 1.658 62.998 61.300 0.066 0.000 1.334 360 I CB -0.511 37.526 38.000 0.062 0.000 1.040 360 I HN 0.171 nan 8.210 nan 0.000 0.405 361 Y N 1.907 122.211 120.300 0.007 0.000 2.089 361 Y HA -0.315 4.234 4.550 -0.000 0.000 0.282 361 Y C 2.994 178.899 175.900 0.008 0.000 1.139 361 Y CA 2.362 60.466 58.100 0.006 0.000 1.123 361 Y CB -0.769 37.692 38.460 0.001 0.000 0.980 361 Y HN 0.307 nan 8.280 nan 0.000 0.493 362 T N -2.965 111.602 114.554 0.022 0.000 2.788 362 T HA -0.188 4.162 4.350 -0.000 0.000 0.268 362 T C 1.825 176.465 174.700 -0.099 0.000 1.044 362 T CA 1.937 63.994 62.100 -0.072 0.000 1.139 362 T CB -1.308 67.579 68.868 0.032 0.000 0.867 362 T HN 0.564 nan 8.240 nan 0.000 0.454 363 T N -0.429 114.109 114.554 -0.028 0.000 2.896 363 T HA -0.039 4.311 4.350 -0.000 0.000 0.263 363 T C 1.661 176.363 174.700 0.004 0.000 1.050 363 T CA 0.988 63.113 62.100 0.041 0.000 1.140 363 T CB -0.461 68.478 68.868 0.119 0.000 0.877 363 T HN 0.198 nan 8.240 nan 0.000 0.457 364 D N 1.709 122.073 120.400 -0.060 0.000 2.097 364 D HA -0.068 4.572 4.640 -0.000 0.000 0.197 364 D C 2.415 178.639 176.300 -0.127 0.000 0.984 364 D CA 1.683 55.637 54.000 -0.077 0.000 0.826 364 D CB -0.406 40.348 40.800 -0.076 0.000 0.973 364 D HN 0.504 nan 8.370 nan 0.000 0.460 365 V N -1.053 118.703 119.914 -0.263 0.000 3.041 365 V HA 0.145 4.265 4.120 -0.000 0.000 0.260 365 V C 2.117 178.123 176.094 -0.146 0.000 1.105 365 V CA 1.267 63.405 62.300 -0.270 0.000 1.125 365 V CB -0.541 30.976 31.823 -0.510 0.000 0.730 365 V HN 0.073 nan 8.190 nan 0.000 0.479 366 A N 0.820 123.584 122.820 -0.093 0.000 1.902 366 A HA -0.055 4.265 4.320 -0.000 0.000 0.217 366 A C 2.341 179.945 177.584 0.032 0.000 1.181 366 A CA 2.150 54.189 52.037 0.003 0.000 0.623 366 A CB -0.822 18.226 19.000 0.079 0.000 0.818 366 A HN 0.478 nan 8.150 nan 0.000 0.443 367 V N 0.249 120.172 119.914 0.016 0.000 2.255 367 V HA -0.315 3.805 4.120 -0.000 0.000 0.247 367 V C 2.391 178.488 176.094 0.005 0.000 1.051 367 V CA 2.413 64.718 62.300 0.010 0.000 1.018 367 V CB -1.045 30.773 31.823 -0.008 0.000 0.641 367 V HN 0.656 nan 8.190 nan 0.000 0.445 368 E N -0.891 119.300 120.200 -0.015 0.000 2.118 368 E HA -0.275 4.075 4.350 -0.000 0.000 0.195 368 E C 2.267 178.871 176.600 0.007 0.000 0.992 368 E CA 1.647 58.039 56.400 -0.013 0.000 0.804 368 E CB -0.437 29.244 29.700 -0.032 0.000 0.741 368 E HN 0.669 nan 8.360 nan 0.000 0.458 369 C N 0.403 119.710 119.300 0.011 0.000 2.432 369 C HA -0.123 4.337 4.460 -0.000 0.000 0.277 369 C C 2.693 177.739 174.990 0.094 0.000 1.249 369 C CA 0.733 59.779 59.018 0.047 0.000 1.725 369 C CB -0.754 27.006 27.740 0.034 0.000 2.028 369 C HN 0.223 nan 8.230 nan 0.000 0.477 370 V N 0.969 120.941 119.914 0.097 0.000 2.343 370 V HA -0.199 3.921 4.120 -0.000 0.000 0.247 370 V C 2.247 178.388 176.094 0.079 0.000 1.051 370 V CA 2.403 64.785 62.300 0.136 0.000 1.036 370 V CB -0.574 31.326 31.823 0.128 0.000 0.654 370 V HN 0.575 nan 8.190 nan 0.000 0.451 371 I N -0.025 120.566 120.570 0.035 0.000 2.179 371 I HA -0.223 3.947 4.170 -0.000 0.000 0.242 371 I C 2.273 178.372 176.117 -0.030 0.000 1.088 371 I CA 1.601 62.899 61.300 -0.004 0.000 1.357 371 I CB -0.441 37.557 38.000 -0.004 0.000 1.051 371 I HN 0.300 nan 8.210 nan 0.000 0.409 372 D N 0.941 121.338 120.400 -0.004 0.000 2.144 372 D HA -0.144 4.496 4.640 -0.000 0.000 0.199 372 D C 2.246 178.535 176.300 -0.018 0.000 0.984 372 D CA 1.473 55.471 54.000 -0.003 0.000 0.834 372 D CB -0.184 40.633 40.800 0.028 0.000 0.955 372 D HN 0.343 nan 8.370 nan 0.000 0.465 373 A N 0.610 123.432 122.820 0.004 0.000 1.883 373 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 373 A C 2.268 179.651 177.584 -0.333 0.000 1.186 373 A CA 1.523 53.543 52.037 -0.028 0.000 0.624 373 A CB -0.570 18.531 19.000 0.169 0.000 0.822 373 A HN 0.173 nan 8.150 nan 0.000 0.444 374 M N -0.864 118.475 119.600 -0.435 0.000 2.159 374 M HA -0.154 4.326 4.480 -0.000 0.000 0.263 374 M C 2.087 178.186 176.300 -0.334 0.000 1.063 374 M CA 1.690 56.635 55.300 -0.593 0.000 1.110 374 M CB -0.332 32.044 32.600 -0.372 0.000 1.374 374 M HN 0.321 nan 8.290 nan 0.000 0.411 375 K N 0.344 120.630 120.400 -0.189 0.000 2.097 375 K HA -0.048 4.272 4.320 -0.000 0.000 0.205 375 K C 2.105 178.647 176.600 -0.097 0.000 1.050 375 K CA 1.319 57.534 56.287 -0.120 0.000 0.938 375 K CB -0.218 32.239 32.500 -0.071 0.000 0.718 375 K HN 0.286 nan 8.250 nan 0.000 0.442 376 A N 0.863 123.630 122.820 -0.089 0.000 1.930 376 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 376 A C 2.304 179.871 177.584 -0.028 0.000 1.175 376 A CA 1.192 53.214 52.037 -0.024 0.000 0.627 376 A CB -0.415 18.596 19.000 0.018 0.000 0.815 376 A HN 0.064 nan 8.150 nan 0.000 0.443 377 V N -1.134 118.668 119.914 -0.188 0.000 2.488 377 V HA 0.253 4.373 4.120 -0.000 0.000 0.246 377 V C 1.740 177.676 176.094 -0.263 0.000 1.046 377 V CA 1.255 63.343 62.300 -0.352 0.000 1.053 377 V CB -1.353 30.060 31.823 -0.682 0.000 0.679 377 V HN 1.163 nan 8.190 nan 0.000 0.458 378 G N -0.696 107.978 108.800 -0.211 0.000 2.499 378 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.232 378 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.232 378 G C 0.392 175.210 174.900 -0.137 0.000 1.251 378 G CA 0.266 45.287 45.100 -0.130 0.000 0.917 378 G HN 0.141 nan 8.290 nan 0.000 0.580 379 M N 0.549 120.102 119.600 -0.079 0.000 2.144 379 M HA 0.032 4.512 4.480 -0.000 0.000 0.260 379 M C 2.359 178.650 176.300 -0.016 0.000 1.067 379 M CA 2.855 58.126 55.300 -0.049 0.000 1.095 379 M CB -0.575 32.011 32.600 -0.024 0.000 1.365 379 M HN 0.563 nan 8.290 nan 0.000 0.406 380 K N -0.625 119.740 120.400 -0.058 0.000 2.211 380 K HA -0.128 4.192 4.320 -0.000 0.000 0.204 380 K C 1.817 178.395 176.600 -0.036 0.000 1.047 380 K CA 1.564 57.820 56.287 -0.052 0.000 0.935 380 K CB -0.368 32.062 32.500 -0.115 0.000 0.728 380 K HN 0.591 nan 8.250 nan 0.000 0.452 381 S N -0.362 115.271 115.700 -0.111 0.000 2.507 381 S HA -0.155 4.315 4.470 -0.000 0.000 0.235 381 S C 1.611 176.280 174.600 0.115 0.000 0.988 381 S CA 0.578 58.736 58.200 -0.070 0.000 0.944 381 S CB -0.254 62.618 63.200 -0.546 0.000 0.762 381 S HN 0.355 nan 8.310 nan 0.000 0.526 382 Y N 2.205 122.482 120.300 -0.039 0.000 2.462 382 Y HA 0.591 5.141 4.550 -0.000 0.000 0.261 382 Y C 0.933 176.837 175.900 0.006 0.000 1.146 382 Y CA -0.605 57.485 58.100 -0.016 0.000 1.283 382 Y CB -0.191 38.248 38.460 -0.035 0.000 1.090 382 Y HN 0.425 nan 8.280 nan 0.000 0.526 383 A N 0.197 123.043 122.820 0.043 0.000 2.312 383 A HA 0.377 4.697 4.320 -0.000 0.000 0.328 383 A C 0.684 178.256 177.584 -0.020 0.000 1.158 383 A CA -0.699 51.331 52.037 -0.011 0.000 0.821 383 A CB 0.858 19.877 19.000 0.031 0.000 1.170 383 A HN 0.341 nan 8.150 nan 0.000 0.490 384 K N 0.638 121.011 120.400 -0.045 0.000 2.551 384 K HA -0.034 4.286 4.320 -0.000 0.000 0.192 384 K C 0.147 176.728 176.600 -0.032 0.000 1.027 384 K CA 0.754 57.014 56.287 -0.045 0.000 1.059 384 K CB 0.176 32.641 32.500 -0.058 0.000 0.831 384 K HN 0.798 nan 8.250 nan 0.000 0.508 385 D N -0.046 120.346 120.400 -0.014 0.000 2.349 385 D HA -0.067 4.573 4.640 -0.000 0.000 0.224 385 D C 0.599 176.893 176.300 -0.011 0.000 1.029 385 D CA 0.407 54.400 54.000 -0.011 0.000 0.879 385 D CB 0.189 40.991 40.800 0.003 0.000 0.906 385 D HN 0.099 nan 8.370 nan 0.000 0.528 386 M N -0.275 119.322 119.600 -0.005 0.000 2.705 386 M HA 0.254 4.734 4.480 -0.000 0.000 0.311 386 M C 0.945 177.182 176.300 -0.105 0.000 1.214 386 M CA -0.757 54.525 55.300 -0.030 0.000 0.920 386 M CB 2.191 34.848 32.600 0.094 0.000 1.687 386 M HN -0.304 nan 8.290 nan 0.000 0.481 387 S N 0.280 115.812 115.700 -0.280 0.000 2.428 387 S HA -0.039 4.431 4.470 -0.000 0.000 0.230 387 S C 1.422 175.878 174.600 -0.240 0.000 1.014 387 S CA 1.104 59.129 58.200 -0.293 0.000 0.957 387 S CB -0.295 62.682 63.200 -0.371 0.000 0.784 387 S HN 0.514 nan 8.310 nan 0.000 0.499 388 F N 1.934 121.856 119.950 -0.046 0.000 2.087 388 F HA -0.086 4.441 4.527 0.000 0.000 0.299 388 F C -0.455 175.312 175.800 -0.055 0.000 1.100 388 F CA 0.967 58.942 58.000 -0.041 0.000 1.226 388 F CB -2.365 36.612 39.000 -0.038 0.000 0.983 388 F HN 0.198 nan 8.300 nan 0.000 0.479 389 P HA -0.216 nan 4.420 nan 0.000 0.216 389 P C 1.592 178.869 177.300 -0.038 0.000 1.153 389 P CA 1.888 64.975 63.100 -0.021 0.000 0.858 389 P CB -0.154 31.490 31.700 -0.093 0.000 0.789 390 R N 0.025 120.496 120.500 -0.049 0.000 2.070 390 R HA -0.098 4.242 4.340 -0.000 0.000 0.233 390 R C 2.251 178.501 176.300 -0.083 0.000 1.137 390 R CA 1.472 57.529 56.100 -0.072 0.000 0.945 390 R CB -0.995 29.263 30.300 -0.070 0.000 0.845 390 R HN 0.123 nan 8.270 nan 0.000 0.430 391 L N 0.911 122.104 121.223 -0.052 0.000 2.079 391 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 391 L C 2.579 179.441 176.870 -0.013 0.000 1.081 391 L CA 0.762 55.589 54.840 -0.022 0.000 0.752 391 L CB -0.632 41.438 42.059 0.019 0.000 0.896 391 L HN 0.291 nan 8.230 nan 0.000 0.433 392 L N 0.213 121.446 121.223 0.017 0.000 1.994 392 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 392 L C 2.325 179.159 176.870 -0.060 0.000 1.071 392 L CA 1.868 56.710 54.840 0.004 0.000 0.745 392 L CB -0.764 41.315 42.059 0.033 0.000 0.892 392 L HN 0.251 nan 8.230 nan 0.000 0.431 393 N N -0.368 118.283 118.700 -0.082 0.000 2.166 393 N HA -0.199 4.541 4.740 -0.000 0.000 0.186 393 N C 1.717 177.110 175.510 -0.195 0.000 1.019 393 N CA 1.690 54.671 53.050 -0.115 0.000 0.856 393 N CB -0.091 38.335 38.487 -0.102 0.000 0.993 393 N HN 0.583 nan 8.380 nan 0.000 0.426 394 E N 0.591 120.631 120.200 -0.266 0.000 2.047 394 E HA -0.078 4.272 4.350 -0.000 0.000 0.191 394 E C 1.997 178.292 176.600 -0.508 0.000 0.987 394 E CA 0.504 56.625 56.400 -0.464 0.000 0.799 394 E CB -0.023 29.375 29.700 -0.504 0.000 0.752 394 E HN -0.008 nan 8.360 nan 0.000 0.449 395 V N 1.001 120.712 119.914 -0.338 0.000 2.490 395 V HA -0.216 3.904 4.120 -0.000 0.000 0.250 395 V C 1.961 177.839 176.094 -0.360 0.000 1.061 395 V CA 1.247 63.348 62.300 -0.330 0.000 1.064 395 V CB -0.153 31.665 31.823 -0.009 0.000 0.670 395 V HN 0.348 nan 8.190 nan 0.000 0.461 396 M N -1.395 118.049 119.600 -0.259 0.000 2.460 396 M HA -0.123 4.357 4.480 -0.000 0.000 0.263 396 M C 2.243 178.391 176.300 -0.254 0.000 1.071 396 M CA 1.361 56.547 55.300 -0.189 0.000 1.096 396 M CB -2.039 30.490 32.600 -0.119 0.000 1.408 396 M HN 0.636 nan 8.290 nan 0.000 0.463 397 C N 0.135 119.175 119.300 -0.434 0.000 2.425 397 C HA -0.204 4.256 4.460 -0.000 0.000 0.277 397 C C 2.567 177.242 174.990 -0.526 0.000 1.280 397 C CA 0.811 59.512 59.018 -0.529 0.000 1.744 397 C CB -0.988 26.319 27.740 -0.722 0.000 1.989 397 C HN 0.509 nan 8.230 nan 0.000 0.491 398 Y N 1.967 122.064 120.300 -0.337 0.000 2.263 398 Y HA 0.065 4.615 4.550 -0.000 0.000 0.292 398 Y C 0.001 175.953 175.900 0.086 0.000 1.130 398 Y CA 0.898 58.888 58.100 -0.185 0.000 1.179 398 Y CB -2.318 36.095 38.460 -0.078 0.000 0.998 398 Y HN 0.396 nan 8.280 nan 0.000 0.532 399 P HA -0.037 nan 4.420 nan 0.000 0.233 399 P C 1.244 178.590 177.300 0.077 0.000 1.167 399 P CA 1.318 64.478 63.100 0.101 0.000 0.770 399 P CB 0.015 31.738 31.700 0.038 0.000 0.837 400 L N -1.743 119.516 121.223 0.059 0.000 2.253 400 L HA 0.157 4.497 4.340 -0.000 0.000 0.205 400 L C 1.792 178.697 176.870 0.059 0.000 1.078 400 L CA 0.283 55.125 54.840 0.003 0.000 0.805 400 L CB -0.488 41.522 42.059 -0.083 0.000 0.963 400 L HN -0.013 nan 8.230 nan 0.000 0.459 401 F N -0.573 119.304 119.950 -0.122 0.000 2.362 401 F HA 0.327 4.853 4.527 -0.000 0.000 0.340 401 F C 0.707 176.465 175.800 -0.070 0.000 1.088 401 F CA -0.848 57.067 58.000 -0.142 0.000 1.096 401 F CB 0.372 39.296 39.000 -0.127 0.000 1.486 401 F HN -0.053 nan 8.300 nan 0.000 0.500 402 D N 0.683 120.728 120.400 -0.591 0.000 2.737 402 D HA -0.091 4.549 4.640 -0.000 0.000 0.233 402 D C -0.019 176.140 176.300 -0.235 0.000 1.155 402 D CA 1.618 55.312 54.000 -0.511 0.000 0.667 402 D CB -1.431 38.888 40.800 -0.803 0.000 1.060 402 D HN 1.504 nan 8.370 nan 0.000 0.427 403 G N -1.076 107.576 108.800 -0.247 0.000 3.316 403 G HA2 0.301 4.261 3.960 -0.000 0.000 0.445 403 G HA3 0.301 4.261 3.960 -0.000 0.000 0.445 403 G C 0.567 175.401 174.900 -0.110 0.000 1.002 403 G CA 0.092 45.054 45.100 -0.229 0.000 0.818 403 G HN 0.984 nan 8.290 nan 0.000 0.404 404 G N 1.491 110.236 108.800 -0.092 0.000 2.554 404 G HA2 0.363 4.323 3.960 -0.000 0.000 0.238 404 G HA3 0.363 4.323 3.960 -0.000 0.000 0.238 404 G C 1.031 175.914 174.900 -0.029 0.000 1.259 404 G CA 0.273 45.346 45.100 -0.044 0.000 0.843 404 G HN 0.665 nan 8.290 nan 0.000 0.582 405 N N 0.731 119.427 118.700 -0.007 0.000 2.166 405 N HA -0.130 4.610 4.740 -0.000 0.000 0.186 405 N C 2.128 177.632 175.510 -0.011 0.000 1.019 405 N CA 0.718 53.767 53.050 -0.003 0.000 0.856 405 N CB -0.046 38.447 38.487 0.010 0.000 0.993 405 N HN 0.414 nan 8.380 nan 0.000 0.426 406 I N -0.091 120.470 120.570 -0.014 0.000 2.333 406 I HA -0.013 4.157 4.170 -0.000 0.000 0.246 406 I C 2.239 178.346 176.117 -0.017 0.000 1.106 406 I CA 1.075 62.366 61.300 -0.014 0.000 1.411 406 I CB -1.466 36.525 38.000 -0.015 0.000 1.082 406 I HN 0.094 nan 8.210 nan 0.000 0.420 407 G N -0.136 108.651 108.800 -0.021 0.000 2.510 407 G HA2 0.104 4.064 3.960 -0.000 0.000 0.212 407 G HA3 0.104 4.064 3.960 -0.000 0.000 0.212 407 G C 1.711 176.604 174.900 -0.012 0.000 1.151 407 G CA 0.116 45.206 45.100 -0.016 0.000 0.817 407 G HN 0.222 nan 8.290 nan 0.000 0.534 408 L N -0.847 120.361 121.223 -0.024 0.000 2.546 408 L HA 0.293 4.633 4.340 -0.000 0.000 0.182 408 L C 2.897 179.753 176.870 -0.023 0.000 1.167 408 L CA -0.136 54.690 54.840 -0.022 0.000 0.845 408 L CB -0.082 41.941 42.059 -0.061 0.000 1.134 408 L HN -0.139 nan 8.230 nan 0.000 0.500 409 R N 0.561 121.043 120.500 -0.030 0.000 2.075 409 R HA -0.052 4.288 4.340 -0.000 0.000 0.232 409 R C 2.192 178.478 176.300 -0.024 0.000 1.126 409 R CA 1.197 57.283 56.100 -0.024 0.000 0.963 409 R CB -0.773 29.517 30.300 -0.017 0.000 0.858 409 R HN 0.293 nan 8.270 nan 0.000 0.435 410 R N 0.172 120.659 120.500 -0.021 0.000 2.096 410 R HA -0.052 4.288 4.340 -0.000 0.000 0.235 410 R C 2.267 178.544 176.300 -0.038 0.000 1.127 410 R CA 1.133 57.217 56.100 -0.027 0.000 0.968 410 R CB -0.135 30.154 30.300 -0.019 0.000 0.861 410 R HN -0.004 nan 8.270 nan 0.000 0.440 411 R N 0.735 121.217 120.500 -0.031 0.000 2.066 411 R HA -0.070 4.270 4.340 -0.000 0.000 0.232 411 R C 2.215 178.491 176.300 -0.041 0.000 1.131 411 R CA 1.415 57.495 56.100 -0.033 0.000 0.955 411 R CB -0.443 29.846 30.300 -0.020 0.000 0.851 411 R HN 0.303 nan 8.270 nan 0.000 0.432 412 Q N -0.407 119.375 119.800 -0.030 0.000 2.077 412 Q HA -0.215 4.125 4.340 -0.000 0.000 0.206 412 Q C 2.133 178.095 176.000 -0.064 0.000 0.989 412 Q CA 1.998 57.783 55.803 -0.030 0.000 0.853 412 Q CB -0.228 28.505 28.738 -0.008 0.000 0.907 412 Q HN 0.330 nan 8.270 nan 0.000 0.418 413 M N 0.452 120.008 119.600 -0.073 0.000 2.086 413 M HA -0.273 4.207 4.480 -0.000 0.000 0.261 413 M C 2.334 178.540 176.300 -0.156 0.000 1.067 413 M CA 1.689 56.923 55.300 -0.110 0.000 1.116 413 M CB -0.082 32.466 32.600 -0.088 0.000 1.348 413 M HN 0.178 nan 8.290 nan 0.000 0.407 414 Q N 0.099 119.824 119.800 -0.125 0.000 2.112 414 Q HA -0.297 4.043 4.340 -0.000 0.000 0.206 414 Q C 2.103 178.009 176.000 -0.157 0.000 0.987 414 Q CA 2.231 57.952 55.803 -0.138 0.000 0.858 414 Q CB -0.216 28.467 28.738 -0.091 0.000 0.905 414 Q HN 0.522 nan 8.270 nan 0.000 0.420 415 R N -0.664 119.764 120.500 -0.120 0.000 2.081 415 R HA -0.130 4.210 4.340 -0.000 0.000 0.235 415 R C 2.217 178.436 176.300 -0.135 0.000 1.131 415 R CA 1.547 57.584 56.100 -0.104 0.000 0.960 415 R CB -0.124 30.134 30.300 -0.069 0.000 0.856 415 R HN 0.203 nan 8.270 nan 0.000 0.436 416 V N 0.862 120.677 119.914 -0.164 0.000 2.358 416 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 416 V C 2.274 178.127 176.094 -0.402 0.000 1.047 416 V CA 1.854 64.040 62.300 -0.190 0.000 1.035 416 V CB -0.312 31.416 31.823 -0.158 0.000 0.658 416 V HN 0.403 nan 8.190 nan 0.000 0.452 417 M N -0.185 119.038 119.600 -0.628 0.000 2.374 417 M HA -0.084 4.396 4.480 -0.000 0.000 0.264 417 M C 2.082 178.045 176.300 -0.561 0.000 1.067 417 M CA 1.747 56.381 55.300 -1.110 0.000 1.103 417 M CB -0.410 31.723 32.600 -0.779 0.000 1.402 417 M HN 0.378 nan 8.290 nan 0.000 0.444 418 A N 0.195 122.837 122.820 -0.296 0.000 2.169 418 A HA 0.217 4.537 4.320 -0.000 0.000 0.212 418 A C 0.983 178.516 177.584 -0.084 0.000 1.153 418 A CA -0.017 51.929 52.037 -0.150 0.000 0.756 418 A CB -0.332 18.601 19.000 -0.112 0.000 0.813 418 A HN 0.327 nan 8.150 nan 0.000 0.471 419 L N 0.357 121.534 121.223 -0.077 0.000 2.456 419 L HA 0.043 4.383 4.340 -0.000 0.000 0.272 419 L C 1.464 178.355 176.870 0.036 0.000 1.189 419 L CA -0.287 54.548 54.840 -0.010 0.000 0.846 419 L CB 0.416 42.481 42.059 0.009 0.000 1.111 419 L HN 0.412 nan 8.230 nan 0.000 0.475 420 E N 1.371 121.588 120.200 0.028 0.000 2.118 420 E HA -0.219 4.131 4.350 -0.000 0.000 0.195 420 E C 0.604 177.235 176.600 0.050 0.000 0.992 420 E CA 1.641 58.061 56.400 0.034 0.000 0.804 420 E CB 0.117 29.829 29.700 0.020 0.000 0.741 420 E HN 0.760 nan 8.360 nan 0.000 0.458 421 D N -0.753 119.678 120.400 0.053 0.000 2.395 421 D HA -0.096 4.544 4.640 -0.000 0.000 0.226 421 D C -0.048 176.291 176.300 0.065 0.000 1.146 421 D CA -0.444 53.583 54.000 0.045 0.000 0.830 421 D CB -1.099 39.718 40.800 0.029 0.000 0.958 421 D HN 0.185 nan 8.370 nan 0.000 0.501 422 Y N 1.674 121.945 120.300 -0.048 0.000 2.721 422 Y HA 0.049 4.598 4.550 -0.000 0.000 0.329 422 Y C -0.140 175.707 175.900 -0.088 0.000 1.211 422 Y CA 0.142 58.196 58.100 -0.076 0.000 1.512 422 Y CB 0.512 38.918 38.460 -0.092 0.000 1.249 422 Y HN -0.090 nan 8.280 nan 0.000 0.549 423 E N 9.183 129.075 120.200 -0.512 0.000 2.183 423 E HA 0.139 4.489 4.350 -0.000 0.000 0.250 423 E C -1.839 174.213 176.600 -0.915 0.000 0.901 423 E CA -2.022 54.031 56.400 -0.579 0.000 0.741 423 E CB 1.137 30.694 29.700 -0.239 0.000 1.182 423 E HN 0.607 nan 8.360 nan 0.000 0.425 424 P HA -0.179 nan 4.420 nan 0.000 0.216 424 P C 0.196 176.869 177.300 -1.045 0.000 1.150 424 P CA 1.403 63.654 63.100 -1.416 0.000 0.843 424 P CB 0.101 30.850 31.700 -1.584 0.000 0.787 425 W N -1.394 119.813 121.300 -0.155 0.000 3.123 425 W HA 0.561 5.221 4.660 -0.000 0.000 0.383 425 W C 2.010 178.498 176.519 -0.052 0.000 1.102 425 W CA -0.174 57.139 57.345 -0.053 0.000 1.865 425 W CB -0.459 29.063 29.460 0.105 0.000 1.111 425 W HN -0.110 nan 8.180 nan 0.000 0.621 426 A N 1.079 123.910 122.820 0.018 0.000 1.978 426 A HA -0.086 4.234 4.320 -0.000 0.000 0.220 426 A C 2.158 179.753 177.584 0.018 0.000 1.170 426 A CA 2.039 54.086 52.037 0.017 0.000 0.636 426 A CB -0.702 18.272 19.000 -0.045 0.000 0.810 426 A HN 0.249 nan 8.150 nan 0.000 0.448 427 A N -1.692 121.128 122.820 -0.001 0.000 2.209 427 A HA 0.134 4.454 4.320 -0.000 0.000 0.212 427 A C 1.985 179.546 177.584 -0.037 0.000 1.158 427 A CA 1.880 53.908 52.037 -0.015 0.000 0.742 427 A CB -0.431 18.556 19.000 -0.021 0.000 0.790 427 A HN 0.431 nan 8.150 nan 0.000 0.472 428 T N -2.801 111.716 114.554 -0.061 0.000 3.151 428 T HA 0.142 4.492 4.350 -0.000 0.000 0.239 428 T C 1.172 175.713 174.700 -0.265 0.000 0.979 428 T CA 0.690 62.637 62.100 -0.255 0.000 1.194 428 T CB -0.136 68.448 68.868 -0.472 0.000 0.982 428 T HN 0.487 nan 8.240 nan 0.000 0.428 429 Y N 1.274 121.614 120.300 0.067 0.000 2.467 429 Y HA 0.460 5.010 4.550 0.000 0.000 0.250 429 Y C 1.420 177.338 175.900 0.032 0.000 1.155 429 Y CA -0.131 57.992 58.100 0.039 0.000 1.249 429 Y CB 0.696 39.181 38.460 0.042 0.000 1.146 429 Y HN 0.457 nan 8.280 nan 0.000 0.524 430 G N 0.672 109.556 108.800 0.141 0.000 2.746 430 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.685 430 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.685 430 G C -0.403 174.543 174.900 0.076 0.000 1.350 430 G CA -0.328 44.824 45.100 0.085 0.000 0.837 430 G HN 0.224 nan 8.290 nan 0.000 0.564 431 S N 0.000 115.726 115.700 0.043 0.000 2.498 431 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 431 S CA 0.000 58.216 58.200 0.027 0.000 1.107 431 S CB 0.000 63.209 63.200 0.015 0.000 0.593 431 S HN 0.000 nan 8.310 nan 0.000 0.517