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 1h5d_1_A DATA FIRST_RESID 1 DATA SEQUENCE QLTPTFYDNS cPNVSNIVRD TIVNELRSDP RIAASILRLH FHDcFVNGcD DATA SEQUENCE ASILLDNTTS FRTEKDAFGN ANSARGFPVI DRMKAAVESA cPRTVScADL DATA SEQUENCE LTIAAQQSVT LAGGPSWRVP LGRRDSLQAF LDLANANLPA PFFTLPQLKD DATA SEQUENCE SFRNVGLNRS SDLVALSGGH TFGKNQcRFI MDRLYNFSNT GLPDPTLNTT DATA SEQUENCE YLQTLRGLcP LNGNLSALVD FDLRTPTIFD NKYYVNLEEQ KGLIQSDQEL DATA SEQUENCE FSSPNATDTI PLVRSFANST QTFFNAFVEA MDRMGNITPL TGTQGQIRLN DATA SEQUENCE cRVVNS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 Q HA 0.000 nan 4.340 nan 0.000 0.214 1 Q C 0.000 175.986 176.000 -0.023 0.000 1.003 1 Q CA 0.000 55.795 55.803 -0.013 0.000 1.022 1 Q CB 0.000 28.738 28.738 -0.000 0.000 1.108 2 L N 1.169 122.369 121.223 -0.039 0.000 2.417 2 L HA 0.652 5.614 4.340 1.037 0.000 0.268 2 L C 0.639 177.499 176.870 -0.017 0.000 1.158 2 L CA -0.034 54.767 54.840 -0.065 0.000 0.819 2 L CB 1.113 43.131 42.059 -0.068 0.000 1.112 2 L HN 0.642 nan 8.230 nan 0.000 0.458 3 T N 1.744 116.296 114.554 -0.004 0.000 2.933 3 T HA 0.394 5.366 4.350 1.037 0.000 0.305 3 T C -2.263 172.466 174.700 0.047 0.000 1.092 3 T CA -1.587 60.535 62.100 0.038 0.000 1.008 3 T CB 2.058 70.966 68.868 0.066 0.000 1.102 3 T HN 0.231 nan 8.240 nan 0.000 0.469 4 P HA 0.005 nan 4.420 nan 0.000 0.222 4 P C 1.189 178.524 177.300 0.058 0.000 1.147 4 P CA 0.956 64.085 63.100 0.048 0.000 0.790 4 P CB 0.037 31.765 31.700 0.048 0.000 0.780 5 T N -5.661 108.924 114.554 0.053 0.000 3.144 5 T HA 0.071 5.043 4.350 1.037 0.000 0.249 5 T C 1.379 176.086 174.700 0.012 0.000 1.089 5 T CA -0.331 61.789 62.100 0.035 0.000 0.989 5 T CB -1.273 67.602 68.868 0.011 0.000 0.992 5 T HN -0.120 nan 8.240 nan 0.000 0.540 6 F N 2.181 122.034 119.950 -0.163 0.000 2.111 6 F HA -0.166 4.984 4.527 1.039 0.000 0.300 6 F C 0.997 176.565 175.800 -0.387 0.000 1.088 6 F CA 1.389 59.187 58.000 -0.338 0.000 1.243 6 F CB -0.222 38.439 39.000 -0.566 0.000 0.996 6 F HN 0.275 nan 8.300 nan 0.000 0.483 7 Y N -0.693 119.646 120.300 0.064 0.000 2.555 7 Y HA 0.151 5.323 4.550 1.037 0.000 0.259 7 Y C 1.508 177.384 175.900 -0.040 0.000 1.179 7 Y CA -0.561 57.529 58.100 -0.018 0.000 1.230 7 Y CB -0.704 37.797 38.460 0.069 0.000 1.146 7 Y HN -0.039 nan 8.280 nan 0.000 0.526 8 D N 0.012 120.446 120.400 0.056 0.000 2.263 8 D HA -0.145 5.118 4.640 1.037 0.000 0.208 8 D C 1.326 177.630 176.300 0.007 0.000 0.971 8 D CA 1.153 55.171 54.000 0.030 0.000 0.867 8 D CB 0.174 40.978 40.800 0.007 0.000 0.929 8 D HN 0.361 nan 8.370 nan 0.000 0.492 9 N N -0.809 117.879 118.700 -0.019 0.000 2.545 9 N HA -0.038 5.325 4.740 1.037 0.000 0.190 9 N C 1.746 177.250 175.510 -0.010 0.000 1.043 9 N CA 0.722 53.756 53.050 -0.026 0.000 0.879 9 N CB 0.048 38.501 38.487 -0.056 0.000 1.210 9 N HN 0.098 nan 8.380 nan 0.000 0.437 10 S N -0.998 114.702 115.700 -0.001 0.000 2.436 10 S HA 0.052 5.144 4.470 1.037 0.000 0.228 10 S C 1.167 175.799 174.600 0.052 0.000 1.014 10 S CA 0.065 58.283 58.200 0.030 0.000 0.950 10 S CB -0.048 63.182 63.200 0.051 0.000 0.784 10 S HN 0.298 nan 8.310 nan 0.000 0.504 11 c N 2.672 121.318 118.600 0.076 0.000 3.079 11 c HA 0.416 5.608 4.570 1.037 0.000 0.246 11 c C -1.988 172.120 174.090 0.031 0.000 1.025 11 c CA -1.097 55.244 56.329 0.020 0.000 1.081 11 c CB 0.861 43.331 42.510 -0.067 0.000 1.757 11 c HN 0.330 nan 8.230 nan 0.000 0.646 12 P HA -0.116 nan 4.420 nan 0.000 0.219 12 P C 0.674 177.975 177.300 0.002 0.000 1.146 12 P CA 1.575 64.688 63.100 0.023 0.000 0.808 12 P CB 0.013 31.720 31.700 0.011 0.000 0.779 13 N N -0.542 118.149 118.700 -0.015 0.000 2.322 13 N HA 0.008 5.370 4.740 1.037 0.000 0.194 13 N C 1.675 177.158 175.510 -0.045 0.000 1.126 13 N CA -0.337 52.697 53.050 -0.027 0.000 0.845 13 N CB 0.053 38.524 38.487 -0.027 0.000 0.976 13 N HN -0.058 nan 8.380 nan 0.000 0.475 14 V N 0.513 120.392 119.914 -0.059 0.000 2.287 14 V HA -0.292 4.451 4.120 1.037 0.000 0.248 14 V C 2.358 178.402 176.094 -0.082 0.000 1.053 14 V CA 2.052 64.294 62.300 -0.098 0.000 1.027 14 V CB -0.359 31.361 31.823 -0.172 0.000 0.646 14 V HN 0.286 nan 8.190 nan 0.000 0.447 15 S N -0.081 115.581 115.700 -0.064 0.000 2.382 15 S HA -0.198 4.894 4.470 1.037 0.000 0.228 15 S C 1.819 176.376 174.600 -0.072 0.000 1.027 15 S CA 1.846 60.001 58.200 -0.076 0.000 0.991 15 S CB -0.584 62.572 63.200 -0.074 0.000 0.823 15 S HN 0.787 nan 8.310 nan 0.000 0.469 16 N N 1.201 119.868 118.700 -0.055 0.000 2.188 16 N HA 0.022 5.384 4.740 1.037 0.000 0.184 16 N C 1.775 177.257 175.510 -0.047 0.000 1.018 16 N CA 1.290 54.312 53.050 -0.047 0.000 0.858 16 N CB -0.367 38.099 38.487 -0.035 0.000 0.989 16 N HN 0.476 nan 8.380 nan 0.000 0.426 17 I N 0.611 121.150 120.570 -0.051 0.000 2.252 17 I HA -0.180 4.612 4.170 1.037 0.000 0.245 17 I C 2.135 178.221 176.117 -0.052 0.000 1.102 17 I CA 0.664 61.935 61.300 -0.048 0.000 1.385 17 I CB -0.199 37.769 38.000 -0.053 0.000 1.064 17 I HN -0.116 nan 8.210 nan 0.000 0.414 18 V N 0.991 120.866 119.914 -0.065 0.000 2.295 18 V HA -0.289 4.453 4.120 1.037 0.000 0.246 18 V C 2.660 178.716 176.094 -0.063 0.000 1.049 18 V CA 2.019 64.278 62.300 -0.069 0.000 1.024 18 V CB -0.774 30.996 31.823 -0.089 0.000 0.648 18 V HN 0.424 nan 8.190 nan 0.000 0.447 19 R N 0.118 120.579 120.500 -0.065 0.000 2.083 19 R HA -0.210 4.752 4.340 1.037 0.000 0.237 19 R C 2.074 178.350 176.300 -0.040 0.000 1.137 19 R CA 2.259 58.325 56.100 -0.057 0.000 0.951 19 R CB -0.453 29.812 30.300 -0.058 0.000 0.851 19 R HN 0.481 nan 8.270 nan 0.000 0.434 20 D N -0.376 120.003 120.400 -0.036 0.000 2.123 20 D HA -0.135 5.127 4.640 1.037 0.000 0.196 20 D C 1.782 178.068 176.300 -0.024 0.000 0.992 20 D CA 1.867 55.851 54.000 -0.026 0.000 0.833 20 D CB -0.430 40.355 40.800 -0.025 0.000 0.954 20 D HN 0.307 nan 8.370 nan 0.000 0.455 21 T N 0.835 115.372 114.554 -0.029 0.000 2.746 21 T HA -0.072 4.900 4.350 1.037 0.000 0.267 21 T C 2.205 176.891 174.700 -0.023 0.000 1.039 21 T CA 0.644 62.729 62.100 -0.025 0.000 1.142 21 T CB -0.167 68.684 68.868 -0.029 0.000 0.866 21 T HN 0.184 nan 8.240 nan 0.000 0.444 22 I N 0.786 121.338 120.570 -0.029 0.000 2.315 22 I HA -0.121 4.671 4.170 1.037 0.000 0.248 22 I C 2.448 178.556 176.117 -0.015 0.000 1.117 22 I CA 0.729 62.014 61.300 -0.025 0.000 1.404 22 I CB -0.491 37.490 38.000 -0.032 0.000 1.071 22 I HN 0.086 nan 8.210 nan 0.000 0.419 23 V N 1.348 121.253 119.914 -0.014 0.000 2.295 23 V HA -0.281 4.461 4.120 1.037 0.000 0.246 23 V C 2.238 178.330 176.094 -0.004 0.000 1.049 23 V CA 1.937 64.234 62.300 -0.006 0.000 1.024 23 V CB -0.833 30.985 31.823 -0.008 0.000 0.648 23 V HN 0.462 nan 8.190 nan 0.000 0.447 24 N N 0.068 118.764 118.700 -0.007 0.000 2.069 24 N HA -0.203 5.159 4.740 1.037 0.000 0.191 24 N C 1.962 177.469 175.510 -0.004 0.000 1.031 24 N CA 1.696 54.743 53.050 -0.005 0.000 0.852 24 N CB -0.321 38.161 38.487 -0.007 0.000 1.018 24 N HN 0.519 nan 8.380 nan 0.000 0.423 25 E N 1.279 121.475 120.200 -0.007 0.000 2.110 25 E HA -0.011 4.961 4.350 1.037 0.000 0.193 25 E C 2.081 178.678 176.600 -0.005 0.000 0.988 25 E CA 0.596 56.991 56.400 -0.008 0.000 0.804 25 E CB -0.401 29.290 29.700 -0.014 0.000 0.745 25 E HN 0.302 nan 8.360 nan 0.000 0.458 26 L N 0.084 121.305 121.223 -0.003 0.000 2.187 26 L HA -0.178 4.785 4.340 1.037 0.000 0.213 26 L C 2.538 179.413 176.870 0.008 0.000 1.100 26 L CA 1.154 55.996 54.840 0.004 0.000 0.765 26 L CB -0.267 41.800 42.059 0.013 0.000 0.904 26 L HN 0.121 nan 8.230 nan 0.000 0.437 27 R N -0.513 119.992 120.500 0.007 0.000 2.081 27 R HA -0.130 4.833 4.340 1.037 0.000 0.235 27 R C 2.448 178.753 176.300 0.008 0.000 1.131 27 R CA 1.790 57.895 56.100 0.009 0.000 0.960 27 R CB -0.293 30.011 30.300 0.007 0.000 0.856 27 R HN 0.479 nan 8.270 nan 0.000 0.436 28 S N -0.705 114.998 115.700 0.005 0.000 2.492 28 S HA -0.020 5.072 4.470 1.037 0.000 0.218 28 S C 0.280 174.882 174.600 0.003 0.000 1.016 28 S CA 0.006 58.209 58.200 0.005 0.000 0.916 28 S CB 0.465 63.667 63.200 0.004 0.000 0.791 28 S HN 0.098 nan 8.310 nan 0.000 0.513 29 D N 1.881 122.281 120.400 0.000 0.000 2.346 29 D HA 0.354 5.617 4.640 1.037 0.000 0.255 29 D C -2.212 174.084 176.300 -0.006 0.000 1.276 29 D CA -2.120 51.877 54.000 -0.004 0.000 0.941 29 D CB 1.854 42.648 40.800 -0.011 0.000 1.199 29 D HN -0.030 nan 8.370 nan 0.000 0.537 30 P HA -0.095 nan 4.420 nan 0.000 0.231 30 P C 1.063 178.358 177.300 -0.008 0.000 1.158 30 P CA 0.359 63.465 63.100 0.010 0.000 0.763 30 P CB 0.387 32.101 31.700 0.023 0.000 0.805 31 R N -0.526 119.955 120.500 -0.032 0.000 2.280 31 R HA 0.087 5.049 4.340 1.037 0.000 0.195 31 R C 2.023 178.252 176.300 -0.118 0.000 0.935 31 R CA -0.135 55.919 56.100 -0.077 0.000 1.033 31 R CB -0.477 29.791 30.300 -0.053 0.000 0.964 31 R HN -0.033 nan 8.270 nan 0.000 0.489 32 I N 1.342 121.864 120.570 -0.080 0.000 2.264 32 I HA -0.209 4.583 4.170 1.037 0.000 0.248 32 I C 1.977 178.030 176.117 -0.105 0.000 1.111 32 I CA 1.481 62.729 61.300 -0.087 0.000 1.382 32 I CB -0.231 37.736 38.000 -0.054 0.000 1.060 32 I HN 0.235 nan 8.210 nan 0.000 0.418 33 A N 0.342 123.107 122.820 -0.091 0.000 1.877 33 A HA -0.119 4.823 4.320 1.037 0.000 0.216 33 A C 2.523 179.996 177.584 -0.184 0.000 1.186 33 A CA 1.960 53.968 52.037 -0.049 0.000 0.620 33 A CB -1.351 17.704 19.000 0.093 0.000 0.822 33 A HN 0.517 nan 8.150 nan 0.000 0.443 34 A N -0.505 121.974 122.820 -0.569 0.000 1.877 34 A HA -0.080 4.862 4.320 1.037 0.000 0.216 34 A C 2.447 179.826 177.584 -0.342 0.000 1.186 34 A CA 2.134 53.615 52.037 -0.926 0.000 0.620 34 A CB -0.947 17.381 19.000 -1.120 0.000 0.822 34 A HN 0.469 nan 8.150 nan 0.000 0.443 35 S N -0.094 115.460 115.700 -0.243 0.000 2.370 35 S HA -0.132 4.960 4.470 1.037 0.000 0.226 35 S C 1.798 176.310 174.600 -0.145 0.000 1.033 35 S CA 1.560 59.658 58.200 -0.170 0.000 1.011 35 S CB -0.501 62.605 63.200 -0.158 0.000 0.852 35 S HN 0.542 nan 8.310 nan 0.000 0.457 36 I N 0.939 121.440 120.570 -0.115 0.000 2.315 36 I HA -0.154 4.639 4.170 1.037 0.000 0.248 36 I C 2.306 178.427 176.117 0.007 0.000 1.117 36 I CA 0.718 61.975 61.300 -0.072 0.000 1.404 36 I CB -0.302 37.663 38.000 -0.058 0.000 1.071 36 I HN 0.241 nan 8.210 nan 0.000 0.419 37 L N 1.064 122.320 121.223 0.055 0.000 2.046 37 L HA -0.200 4.762 4.340 1.037 0.000 0.208 37 L C 2.593 179.573 176.870 0.182 0.000 1.077 37 L CA 1.813 56.758 54.840 0.176 0.000 0.747 37 L CB -0.707 41.536 42.059 0.306 0.000 0.896 37 L HN 0.087 nan 8.230 nan 0.000 0.432 38 R N -0.717 119.829 120.500 0.076 0.000 2.120 38 R HA -0.119 4.843 4.340 1.037 0.000 0.234 38 R C 2.281 178.550 176.300 -0.052 0.000 1.123 38 R CA 1.535 57.653 56.100 0.030 0.000 0.975 38 R CB -0.285 29.956 30.300 -0.098 0.000 0.866 38 R HN 0.464 nan 8.270 nan 0.000 0.446 39 L N -0.589 120.603 121.223 -0.051 0.000 2.046 39 L HA -0.220 4.743 4.340 1.037 0.000 0.208 39 L C 2.545 179.476 176.870 0.101 0.000 1.077 39 L CA 1.637 56.457 54.840 -0.033 0.000 0.747 39 L CB -0.632 41.370 42.059 -0.095 0.000 0.896 39 L HN 0.347 nan 8.230 nan 0.000 0.432 40 H N -0.202 118.901 119.070 0.054 0.000 2.353 40 H HA -0.256 4.923 4.556 1.039 0.000 0.300 40 H C 1.925 177.357 175.328 0.173 0.000 1.090 40 H CA 1.811 57.918 56.048 0.100 0.000 1.327 40 H CB -0.213 29.606 29.762 0.094 0.000 1.383 40 H HN 0.277 nan 8.280 nan 0.000 0.508 41 F N 0.785 120.713 119.950 -0.036 0.000 2.075 41 F HA -0.186 4.958 4.527 1.028 0.000 0.297 41 F C 2.129 177.944 175.800 0.025 0.000 1.113 41 F CA 2.208 60.153 58.000 -0.091 0.000 1.218 41 F CB -1.120 37.825 39.000 -0.093 0.000 0.984 41 F HN 0.356 nan 8.300 nan 0.000 0.472 42 H N -1.388 117.389 119.070 -0.489 0.000 2.521 42 H HA -0.113 5.063 4.556 1.033 0.000 0.286 42 H C 1.562 176.772 175.328 -0.198 0.000 1.034 42 H CA 0.709 56.446 56.048 -0.518 0.000 1.278 42 H CB 0.020 29.586 29.762 -0.327 0.000 1.386 42 H HN 0.367 nan 8.280 nan 0.000 0.567 43 D N 0.284 120.699 120.400 0.025 0.000 2.110 43 D HA -0.103 5.160 4.640 1.037 0.000 0.202 43 D C 2.172 178.471 176.300 -0.001 0.000 0.975 43 D CA 0.743 54.769 54.000 0.043 0.000 0.839 43 D CB -0.471 40.382 40.800 0.089 0.000 0.996 43 D HN 0.210 nan 8.370 nan 0.000 0.464 44 c N -0.065 118.511 118.600 -0.041 0.000 2.411 44 c HA -0.058 5.134 4.570 1.037 0.000 0.279 44 c C 2.286 176.387 174.090 0.018 0.000 1.288 44 c CA 0.167 56.477 56.329 -0.032 0.000 1.764 44 c CB -1.563 40.896 42.510 -0.084 0.000 1.974 44 c HN 0.274 nan 8.230 nan 0.000 0.498 45 F N 0.401 120.224 119.950 -0.211 0.000 2.811 45 F HA 0.161 5.312 4.527 1.040 0.000 0.301 45 F C 0.710 176.385 175.800 -0.208 0.000 1.151 45 F CA 0.626 58.490 58.000 -0.227 0.000 1.412 45 F CB 0.006 38.810 39.000 -0.326 0.000 1.113 45 F HN -0.050 nan 8.300 nan 0.000 0.579 46 V N 0.314 120.192 119.914 -0.060 0.000 2.385 46 V HA 0.226 4.968 4.120 1.037 0.000 0.277 46 V C 0.189 176.161 176.094 -0.204 0.000 1.012 46 V CA -0.988 61.243 62.300 -0.115 0.000 0.832 46 V CB 0.939 32.736 31.823 -0.043 0.000 1.028 46 V HN 0.282 nan 8.190 nan 0.000 0.436 47 N N 3.414 121.914 118.700 -0.332 0.000 2.753 47 N HA -0.155 5.207 4.740 1.037 0.000 0.251 47 N C 0.363 175.731 175.510 -0.237 0.000 1.097 47 N CA 2.013 54.804 53.050 -0.431 0.000 0.786 47 N CB -0.750 37.211 38.487 -0.876 0.000 1.137 47 N HN 1.837 nan 8.380 nan 0.000 0.566 48 G N -1.991 106.705 108.800 -0.174 0.000 2.756 48 G HA2 -0.224 4.358 3.960 1.037 0.000 0.678 48 G HA3 -0.224 4.358 3.960 1.037 0.000 0.678 48 G C -0.007 174.858 174.900 -0.059 0.000 1.349 48 G CA -0.410 44.620 45.100 -0.116 0.000 0.847 48 G HN 0.844 nan 8.290 nan 0.000 0.548 49 c N 1.397 119.978 118.600 -0.032 0.000 2.305 49 c HA 0.478 5.670 4.570 1.037 0.000 0.378 49 c C 0.930 175.042 174.090 0.037 0.000 1.047 49 c CA 0.157 56.497 56.329 0.019 0.000 1.385 49 c CB -1.305 41.244 42.510 0.065 0.000 1.825 49 c HN 0.785 nan 8.230 nan 0.000 0.508 50 D N 0.548 120.973 120.400 0.042 0.000 2.563 50 D HA 0.253 5.515 4.640 1.037 0.000 0.237 50 D C 1.097 177.439 176.300 0.070 0.000 1.282 50 D CA 0.253 54.282 54.000 0.050 0.000 0.816 50 D CB -0.215 40.615 40.800 0.049 0.000 1.066 50 D HN 0.577 nan 8.370 nan 0.000 0.501 51 A N 0.710 123.581 122.820 0.085 0.000 2.829 51 A HA -0.298 4.645 4.320 1.037 0.000 0.267 51 A C 1.896 179.532 177.584 0.087 0.000 1.370 51 A CA 1.475 53.568 52.037 0.093 0.000 0.900 51 A CB -2.599 16.449 19.000 0.080 0.000 1.044 51 A HN 0.783 nan 8.150 nan 0.000 0.691 52 S N -0.603 115.154 115.700 0.095 0.000 2.399 52 S HA -0.091 5.001 4.470 1.037 0.000 0.231 52 S C 1.730 176.371 174.600 0.068 0.000 1.022 52 S CA 1.254 59.503 58.200 0.082 0.000 0.983 52 S CB -0.519 62.811 63.200 0.216 0.000 0.803 52 S HN 1.263 nan 8.310 nan 0.000 0.480 53 I N 0.872 121.508 120.570 0.109 0.000 2.614 53 I HA -0.022 4.770 4.170 1.037 0.000 0.258 53 I C 1.715 177.915 176.117 0.138 0.000 1.189 53 I CA 1.007 62.387 61.300 0.134 0.000 1.462 53 I CB -0.060 38.054 38.000 0.190 0.000 1.092 53 I HN 0.315 nan 8.210 nan 0.000 0.442 54 L N 0.564 121.869 121.223 0.137 0.000 2.478 54 L HA 0.035 4.997 4.340 1.037 0.000 0.223 54 L C 0.798 177.675 176.870 0.011 0.000 1.140 54 L CA 0.026 54.938 54.840 0.120 0.000 0.842 54 L CB -0.377 41.773 42.059 0.151 0.000 0.953 54 L HN 0.138 nan 8.230 nan 0.000 0.452 55 L N 0.521 121.756 121.223 0.019 0.000 2.416 55 L HA 0.077 5.039 4.340 1.037 0.000 0.272 55 L C 0.102 176.980 176.870 0.014 0.000 1.161 55 L CA -0.030 54.835 54.840 0.043 0.000 0.845 55 L CB 0.371 42.486 42.059 0.093 0.000 1.119 55 L HN 0.040 nan 8.230 nan 0.000 0.464 56 D N 1.320 121.724 120.400 0.006 0.000 2.432 56 D HA 0.157 5.419 4.640 1.037 0.000 0.258 56 D C 0.074 176.363 176.300 -0.018 0.000 1.146 56 D CA -0.477 53.495 54.000 -0.046 0.000 1.015 56 D CB 0.619 41.374 40.800 -0.075 0.000 1.107 56 D HN 0.362 nan 8.370 nan 0.000 0.529 57 N N -0.117 118.540 118.700 -0.071 0.000 2.395 57 N HA 0.059 5.422 4.740 1.037 0.000 0.246 57 N C -0.088 175.268 175.510 -0.256 0.000 1.246 57 N CA 0.575 53.549 53.050 -0.126 0.000 0.879 57 N CB 0.467 38.892 38.487 -0.104 0.000 1.098 57 N HN 0.420 nan 8.380 nan 0.000 0.444 58 T N -3.410 110.882 114.554 -0.437 0.000 2.841 58 T HA 0.294 5.267 4.350 1.037 0.000 0.296 58 T C 1.074 175.547 174.700 -0.378 0.000 1.166 58 T CA -0.547 61.251 62.100 -0.504 0.000 1.007 58 T CB 0.932 69.251 68.868 -0.914 0.000 1.253 58 T HN 0.421 nan 8.240 nan 0.000 0.511 59 T N -1.235 113.156 114.554 -0.272 0.000 3.113 59 T HA 0.020 4.992 4.350 1.037 0.000 0.263 59 T C 1.810 176.412 174.700 -0.163 0.000 1.143 59 T CA 1.121 63.115 62.100 -0.176 0.000 1.090 59 T CB -0.619 68.177 68.868 -0.120 0.000 0.922 59 T HN 0.783 nan 8.240 nan 0.000 0.521 60 S N 0.685 116.241 115.700 -0.241 0.000 2.475 60 S HA 0.356 5.448 4.470 1.037 0.000 0.224 60 S C 0.242 174.823 174.600 -0.032 0.000 1.042 60 S CA -0.782 57.343 58.200 -0.126 0.000 0.935 60 S CB -0.432 62.717 63.200 -0.084 0.000 0.801 60 S HN 0.696 nan 8.310 nan 0.000 0.509 61 F N 0.337 120.240 119.950 -0.078 0.000 2.601 61 F HA 0.826 5.975 4.527 1.035 0.000 0.309 61 F C -0.630 175.114 175.800 -0.094 0.000 1.089 61 F CA -1.645 56.297 58.000 -0.098 0.000 0.940 61 F CB 0.917 39.827 39.000 -0.151 0.000 1.273 61 F HN -0.299 nan 8.300 nan 0.000 0.450 62 R N 1.034 121.656 120.500 0.202 0.000 2.531 62 R HA 0.370 5.332 4.340 1.037 0.000 0.273 62 R C -0.076 176.322 176.300 0.163 0.000 1.070 62 R CA -0.599 55.563 56.100 0.104 0.000 1.112 62 R CB 1.291 31.612 30.300 0.035 0.000 1.049 62 R HN 0.933 nan 8.270 nan 0.000 0.508 63 T N 0.153 114.753 114.554 0.076 0.000 2.907 63 T HA 0.061 5.033 4.350 1.037 0.000 0.298 63 T C 1.002 175.703 174.700 0.002 0.000 1.017 63 T CA -0.226 61.902 62.100 0.048 0.000 1.118 63 T CB 0.485 69.342 68.868 -0.019 0.000 0.948 63 T HN 0.469 nan 8.240 nan 0.000 0.531 64 E N 2.050 122.251 120.200 0.001 0.000 2.418 64 E HA -0.049 4.923 4.350 1.037 0.000 0.197 64 E C 1.804 178.406 176.600 0.003 0.000 1.026 64 E CA 0.595 56.999 56.400 0.007 0.000 0.862 64 E CB 0.163 29.886 29.700 0.039 0.000 0.799 64 E HN 0.635 nan 8.360 nan 0.000 0.518 65 K N 0.637 121.022 120.400 -0.026 0.000 2.360 65 K HA -0.101 4.841 4.320 1.037 0.000 0.201 65 K C 0.684 177.277 176.600 -0.012 0.000 1.046 65 K CA 0.733 57.006 56.287 -0.024 0.000 0.945 65 K CB 0.189 32.588 32.500 -0.169 0.000 0.750 65 K HN 0.040 nan 8.250 nan 0.000 0.464 66 D N 0.434 120.804 120.400 -0.048 0.000 2.368 66 D HA 0.100 5.362 4.640 1.037 0.000 0.218 66 D C -0.048 176.146 176.300 -0.177 0.000 1.112 66 D CA 0.078 54.027 54.000 -0.085 0.000 0.834 66 D CB 0.337 41.083 40.800 -0.089 0.000 0.953 66 D HN 0.125 nan 8.370 nan 0.000 0.505 67 A N -0.230 122.509 122.820 -0.134 0.000 2.332 67 A HA 0.237 5.179 4.320 1.037 0.000 0.258 67 A C 0.798 178.280 177.584 -0.170 0.000 1.087 67 A CA -0.341 51.572 52.037 -0.207 0.000 0.802 67 A CB 0.173 19.128 19.000 -0.075 0.000 1.042 67 A HN -0.016 nan 8.150 nan 0.000 0.489 68 F N 1.320 121.316 119.950 0.076 0.000 2.202 68 F HA -0.057 5.119 4.527 1.082 0.000 0.301 68 F C 2.416 178.282 175.800 0.110 0.000 1.082 68 F CA 1.942 60.008 58.000 0.109 0.000 1.313 68 F CB -0.639 38.437 39.000 0.126 0.000 1.024 68 F HN 0.618 nan 8.300 nan 0.000 0.495 69 G N -1.217 107.695 108.800 0.187 0.000 2.813 69 G HA2 -0.100 4.482 3.960 1.037 0.000 0.209 69 G HA3 -0.100 4.482 3.960 1.037 0.000 0.209 69 G C 1.459 176.475 174.900 0.192 0.000 1.150 69 G CA 0.375 45.536 45.100 0.103 0.000 0.785 69 G HN 0.245 nan 8.290 nan 0.000 0.535 70 N N 0.371 119.172 118.700 0.167 0.000 2.516 70 N HA 0.138 5.500 4.740 1.037 0.000 0.197 70 N C 1.212 176.836 175.510 0.191 0.000 1.064 70 N CA 0.297 53.477 53.050 0.216 0.000 0.866 70 N CB 0.098 38.704 38.487 0.197 0.000 1.255 70 N HN 0.177 nan 8.380 nan 0.000 0.447 71 A N 1.862 124.765 122.820 0.138 0.000 2.566 71 A HA 0.049 4.992 4.320 1.037 0.000 0.245 71 A C 0.789 178.468 177.584 0.158 0.000 1.056 71 A CA 0.231 52.340 52.037 0.119 0.000 0.757 71 A CB -0.507 18.535 19.000 0.069 0.000 0.979 71 A HN 0.489 nan 8.150 nan 0.000 0.508 72 N N 0.422 119.204 118.700 0.137 0.000 2.721 72 N HA -0.192 5.170 4.740 1.037 0.000 0.249 72 N C 0.349 175.956 175.510 0.162 0.000 1.072 72 N CA 1.706 54.834 53.050 0.131 0.000 0.710 72 N CB -1.020 37.532 38.487 0.108 0.000 0.993 72 N HN 0.805 nan 8.380 nan 0.000 0.547 73 S N -2.262 113.545 115.700 0.179 0.000 3.916 73 S HA 0.516 5.608 4.470 1.037 0.000 0.231 73 S C 0.041 174.720 174.600 0.130 0.000 1.161 73 S CA 0.472 58.784 58.200 0.186 0.000 0.938 73 S CB -0.441 62.909 63.200 0.249 0.000 1.170 73 S HN 0.685 nan 8.310 nan 0.000 0.508 74 A N 3.342 126.252 122.820 0.150 0.000 2.511 74 A HA 0.589 5.531 4.320 1.037 0.000 0.242 74 A C 0.322 177.919 177.584 0.023 0.000 1.069 74 A CA 0.012 52.093 52.037 0.073 0.000 0.763 74 A CB -0.137 18.992 19.000 0.214 0.000 1.001 74 A HN 0.725 nan 8.150 nan 0.000 0.498 75 R N 0.627 120.994 120.500 -0.222 0.000 2.766 75 R HA 0.736 5.698 4.340 1.037 0.000 0.270 75 R C 0.403 176.434 176.300 -0.448 0.000 1.035 75 R CA -0.391 55.563 56.100 -0.243 0.000 0.911 75 R CB 0.668 30.927 30.300 -0.070 0.000 1.243 75 R HN 1.968 nan 8.270 nan 0.000 0.460 76 G N -0.237 108.390 108.800 -0.288 0.000 2.179 76 G HA2 -0.255 4.328 3.960 1.037 0.000 0.220 76 G HA3 -0.255 4.328 3.960 1.037 0.000 0.220 76 G C 0.212 174.991 174.900 -0.201 0.000 0.990 76 G CA 0.195 45.155 45.100 -0.232 0.000 0.646 76 G HN 0.453 nan 8.290 nan 0.000 0.517 77 F N 1.439 121.396 119.950 0.011 0.000 2.120 77 F HA 0.033 5.179 4.527 1.031 0.000 0.300 77 F C 0.641 176.446 175.800 0.009 0.000 1.095 77 F CA 2.029 60.037 58.000 0.013 0.000 1.249 77 F CB -1.502 37.509 39.000 0.018 0.000 0.995 77 F HN 0.253 nan 8.300 nan 0.000 0.480 78 P HA -0.097 nan 4.420 nan 0.000 0.219 78 P C 1.885 179.217 177.300 0.053 0.000 1.150 78 P CA 1.127 64.285 63.100 0.097 0.000 0.814 78 P CB 0.021 31.766 31.700 0.075 0.000 0.787 79 V N -0.195 119.736 119.914 0.027 0.000 2.427 79 V HA -0.194 4.548 4.120 1.037 0.000 0.248 79 V C 2.256 178.352 176.094 0.004 0.000 1.051 79 V CA 1.419 63.720 62.300 0.002 0.000 1.048 79 V CB -1.016 30.792 31.823 -0.024 0.000 0.666 79 V HN 0.059 nan 8.190 nan 0.000 0.456 80 I N 0.208 120.788 120.570 0.017 0.000 2.315 80 I HA -0.158 4.634 4.170 1.037 0.000 0.248 80 I C 2.270 178.408 176.117 0.035 0.000 1.117 80 I CA 1.439 62.754 61.300 0.025 0.000 1.404 80 I CB -1.230 36.804 38.000 0.055 0.000 1.071 80 I HN 0.342 nan 8.210 nan 0.000 0.419 81 D N 0.507 120.939 120.400 0.054 0.000 2.144 81 D HA -0.196 5.066 4.640 1.037 0.000 0.199 81 D C 2.264 178.577 176.300 0.021 0.000 0.984 81 D CA 0.966 54.991 54.000 0.042 0.000 0.834 81 D CB -0.161 40.669 40.800 0.050 0.000 0.955 81 D HN 0.302 nan 8.370 nan 0.000 0.465 82 R N 0.606 121.116 120.500 0.016 0.000 2.070 82 R HA -0.117 4.845 4.340 1.037 0.000 0.233 82 R C 2.581 178.878 176.300 -0.006 0.000 1.137 82 R CA 1.595 57.698 56.100 0.004 0.000 0.945 82 R CB -0.167 30.134 30.300 0.002 0.000 0.845 82 R HN 0.221 nan 8.270 nan 0.000 0.430 83 M N -0.236 119.357 119.600 -0.011 0.000 2.229 83 M HA -0.043 5.060 4.480 1.037 0.000 0.264 83 M C 1.996 178.280 176.300 -0.027 0.000 1.063 83 M CA 1.720 57.006 55.300 -0.024 0.000 1.114 83 M CB -0.272 32.308 32.600 -0.033 0.000 1.387 83 M HN -0.130 nan 8.290 nan 0.000 0.420 84 K N 1.557 121.947 120.400 -0.016 0.000 2.057 84 K HA 0.034 4.977 4.320 1.037 0.000 0.207 84 K C 2.033 178.623 176.600 -0.017 0.000 1.049 84 K CA 2.003 58.280 56.287 -0.017 0.000 0.931 84 K CB -0.713 31.788 32.500 0.001 0.000 0.714 84 K HN 0.423 nan 8.250 nan 0.000 0.440 85 A N 0.586 123.401 122.820 -0.009 0.000 1.902 85 A HA -0.025 4.918 4.320 1.037 0.000 0.217 85 A C 2.396 179.970 177.584 -0.016 0.000 1.181 85 A CA 2.033 54.065 52.037 -0.009 0.000 0.623 85 A CB -1.095 17.903 19.000 -0.003 0.000 0.818 85 A HN 0.444 nan 8.150 nan 0.000 0.443 86 A N -0.705 122.103 122.820 -0.019 0.000 1.930 86 A HA 0.034 4.977 4.320 1.037 0.000 0.217 86 A C 2.187 179.751 177.584 -0.033 0.000 1.175 86 A CA 1.747 53.770 52.037 -0.024 0.000 0.627 86 A CB -0.744 18.241 19.000 -0.025 0.000 0.815 86 A HN 0.384 nan 8.150 nan 0.000 0.443 87 V N -0.023 119.865 119.914 -0.043 0.000 2.453 87 V HA -0.135 4.607 4.120 1.037 0.000 0.247 87 V C 2.453 178.515 176.094 -0.053 0.000 1.048 87 V CA 1.764 64.027 62.300 -0.062 0.000 1.049 87 V CB -0.589 31.181 31.823 -0.088 0.000 0.672 87 V HN 0.466 nan 8.190 nan 0.000 0.457 88 E N -0.002 120.175 120.200 -0.038 0.000 2.150 88 E HA -0.164 4.808 4.350 1.037 0.000 0.193 88 E C 2.486 179.073 176.600 -0.021 0.000 0.985 88 E CA 1.474 57.858 56.400 -0.026 0.000 0.814 88 E CB -0.318 29.373 29.700 -0.015 0.000 0.752 88 E HN 0.547 nan 8.360 nan 0.000 0.466 89 S N 0.262 115.949 115.700 -0.021 0.000 2.355 89 S HA -0.085 5.008 4.470 1.037 0.000 0.222 89 S C 2.035 176.623 174.600 -0.019 0.000 1.031 89 S CA 1.285 59.475 58.200 -0.017 0.000 0.993 89 S CB -0.007 63.184 63.200 -0.015 0.000 0.859 89 S HN 0.279 nan 8.310 nan 0.000 0.453 90 A N -0.460 122.344 122.820 -0.026 0.000 1.929 90 A HA 0.136 5.079 4.320 1.037 0.000 0.216 90 A C 1.140 178.708 177.584 -0.027 0.000 1.176 90 A CA 1.027 53.047 52.037 -0.027 0.000 0.628 90 A CB -0.434 18.546 19.000 -0.034 0.000 0.816 90 A HN 0.625 nan 8.150 nan 0.000 0.444 91 c N -0.146 118.433 118.600 -0.034 0.000 3.287 91 c HA 0.399 5.592 4.570 1.037 0.000 0.260 91 c C -2.897 171.179 174.090 -0.023 0.000 1.133 91 c CA -1.602 54.709 56.329 -0.030 0.000 1.402 91 c CB 0.225 42.705 42.510 -0.050 0.000 1.832 91 c HN 0.238 nan 8.230 nan 0.000 0.509 92 P HA 0.046 nan 4.420 nan 0.000 0.261 92 P C 0.344 177.649 177.300 0.008 0.000 1.173 92 P CA 0.816 63.915 63.100 -0.003 0.000 0.760 92 P CB 0.251 31.952 31.700 0.000 0.000 0.783 93 R N 0.741 121.248 120.500 0.012 0.000 3.387 93 R HA -0.193 4.770 4.340 1.037 0.000 0.254 93 R C 0.420 176.750 176.300 0.051 0.000 1.006 93 R CA 0.927 57.044 56.100 0.029 0.000 0.677 93 R CB -2.647 27.671 30.300 0.030 0.000 1.063 93 R HN 0.528 nan 8.270 nan 0.000 0.453 94 T N -1.571 113.008 114.554 0.043 0.000 3.138 94 T HA 0.125 5.097 4.350 1.037 0.000 0.245 94 T C 0.662 175.446 174.700 0.141 0.000 0.982 94 T CA 0.363 62.522 62.100 0.097 0.000 1.134 94 T CB 0.644 69.545 68.868 0.055 0.000 1.032 94 T HN 0.054 nan 8.240 nan 0.000 0.442 95 V N 4.350 124.222 119.914 -0.070 0.000 2.406 95 V HA 0.435 5.178 4.120 1.037 0.000 0.272 95 V C 0.502 176.590 176.094 -0.009 0.000 1.043 95 V CA -1.065 61.111 62.300 -0.208 0.000 0.915 95 V CB 0.871 32.409 31.823 -0.476 0.000 0.988 95 V HN 0.577 nan 8.190 nan 0.000 0.466 96 S N 3.414 119.182 115.700 0.113 0.000 2.584 96 S HA 0.057 5.149 4.470 1.037 0.000 0.270 96 S C 1.206 175.833 174.600 0.045 0.000 1.346 96 S CA -0.423 57.828 58.200 0.085 0.000 1.018 96 S CB 0.844 64.104 63.200 0.100 0.000 0.899 96 S HN 0.723 nan 8.310 nan 0.000 0.542 97 c N 1.357 119.983 118.600 0.043 0.000 2.435 97 c HA 0.068 5.260 4.570 1.037 0.000 0.279 97 c C 3.121 177.242 174.090 0.053 0.000 1.321 97 c CA 0.800 57.153 56.329 0.041 0.000 1.752 97 c CB -2.084 40.458 42.510 0.052 0.000 1.959 97 c HN 1.009 nan 8.230 nan 0.000 0.500 98 A N 0.909 123.765 122.820 0.061 0.000 1.877 98 A HA -0.219 4.724 4.320 1.037 0.000 0.216 98 A C 1.820 179.444 177.584 0.068 0.000 1.186 98 A CA 2.243 54.324 52.037 0.074 0.000 0.620 98 A CB -0.597 18.438 19.000 0.058 0.000 0.822 98 A HN 0.503 nan 8.150 nan 0.000 0.443 99 D N -0.681 119.755 120.400 0.059 0.000 2.117 99 D HA -0.088 5.174 4.640 1.037 0.000 0.198 99 D C 1.863 178.171 176.300 0.013 0.000 0.982 99 D CA 1.034 55.073 54.000 0.065 0.000 0.828 99 D CB -0.372 40.544 40.800 0.194 0.000 0.967 99 D HN 0.307 nan 8.370 nan 0.000 0.464 100 L N 0.535 121.755 121.223 -0.006 0.000 2.012 100 L HA -0.152 4.810 4.340 1.037 0.000 0.210 100 L C 2.084 178.921 176.870 -0.055 0.000 1.073 100 L CA 1.325 56.137 54.840 -0.047 0.000 0.748 100 L CB -0.534 41.502 42.059 -0.039 0.000 0.891 100 L HN 0.036 nan 8.230 nan 0.000 0.431 101 L N -1.304 119.906 121.223 -0.021 0.000 2.141 101 L HA -0.133 4.829 4.340 1.037 0.000 0.209 101 L C 2.260 179.032 176.870 -0.164 0.000 1.094 101 L CA 2.201 57.027 54.840 -0.024 0.000 0.763 101 L CB -0.962 41.144 42.059 0.078 0.000 0.908 101 L HN 0.320 nan 8.230 nan 0.000 0.437 102 T N -0.197 114.225 114.554 -0.219 0.000 2.777 102 T HA -0.106 4.867 4.350 1.037 0.000 0.266 102 T C 1.972 176.434 174.700 -0.396 0.000 1.040 102 T CA 1.924 63.703 62.100 -0.535 0.000 1.141 102 T CB -0.249 68.488 68.868 -0.218 0.000 0.868 102 T HN 0.314 nan 8.240 nan 0.000 0.444 103 I N 1.433 121.863 120.570 -0.234 0.000 2.252 103 I HA -0.148 4.645 4.170 1.037 0.000 0.245 103 I C 2.955 178.935 176.117 -0.229 0.000 1.102 103 I CA 0.995 62.158 61.300 -0.228 0.000 1.385 103 I CB -0.524 37.388 38.000 -0.147 0.000 1.064 103 I HN 0.184 nan 8.210 nan 0.000 0.414 104 A N 0.946 123.660 122.820 -0.178 0.000 1.908 104 A HA -0.199 4.743 4.320 1.037 0.000 0.218 104 A C 2.559 180.057 177.584 -0.142 0.000 1.181 104 A CA 2.014 53.969 52.037 -0.137 0.000 0.627 104 A CB -0.819 18.125 19.000 -0.093 0.000 0.818 104 A HN 0.440 nan 8.150 nan 0.000 0.445 105 A N -1.068 121.642 122.820 -0.183 0.000 1.902 105 A HA -0.207 4.735 4.320 1.037 0.000 0.217 105 A C 2.228 179.730 177.584 -0.137 0.000 1.181 105 A CA 1.813 53.781 52.037 -0.115 0.000 0.623 105 A CB -0.527 18.381 19.000 -0.153 0.000 0.818 105 A HN 0.571 nan 8.150 nan 0.000 0.443 106 Q N -0.686 118.930 119.800 -0.306 0.000 2.046 106 Q HA -0.209 4.754 4.340 1.037 0.000 0.200 106 Q C 2.014 177.761 176.000 -0.423 0.000 0.975 106 Q CA 1.752 57.223 55.803 -0.552 0.000 0.836 106 Q CB -0.332 27.806 28.738 -0.999 0.000 0.896 106 Q HN 0.648 nan 8.270 nan 0.000 0.428 107 Q N 0.049 119.664 119.800 -0.309 0.000 2.170 107 Q HA -0.060 4.903 4.340 1.037 0.000 0.203 107 Q C 2.219 178.140 176.000 -0.131 0.000 0.976 107 Q CA 1.340 57.017 55.803 -0.210 0.000 0.858 107 Q CB -0.214 28.427 28.738 -0.161 0.000 0.907 107 Q HN 0.301 nan 8.270 nan 0.000 0.433 108 S N 0.336 115.981 115.700 -0.091 0.000 2.356 108 S HA -0.096 4.997 4.470 1.037 0.000 0.223 108 S C 2.187 176.798 174.600 0.018 0.000 1.032 108 S CA 1.089 59.289 58.200 -0.001 0.000 1.005 108 S CB -0.192 63.034 63.200 0.043 0.000 0.867 108 S HN 0.144 nan 8.310 nan 0.000 0.449 109 V N 1.716 121.577 119.914 -0.089 0.000 2.343 109 V HA -0.186 4.557 4.120 1.037 0.000 0.247 109 V C 2.510 178.397 176.094 -0.344 0.000 1.051 109 V CA 2.130 64.211 62.300 -0.365 0.000 1.036 109 V CB -1.286 30.246 31.823 -0.485 0.000 0.654 109 V HN 0.516 nan 8.190 nan 0.000 0.451 110 T N 0.275 114.699 114.554 -0.217 0.000 2.777 110 T HA -0.104 4.869 4.350 1.037 0.000 0.266 110 T C 1.889 176.548 174.700 -0.068 0.000 1.040 110 T CA 1.375 63.388 62.100 -0.144 0.000 1.141 110 T CB -0.290 68.500 68.868 -0.130 0.000 0.868 110 T HN 0.287 nan 8.240 nan 0.000 0.444 111 L N 0.704 121.901 121.223 -0.044 0.000 2.191 111 L HA -0.022 4.940 4.340 1.037 0.000 0.212 111 L C 2.661 179.562 176.870 0.052 0.000 1.103 111 L CA 0.893 55.736 54.840 0.005 0.000 0.769 111 L CB -0.464 41.600 42.059 0.009 0.000 0.908 111 L HN 0.237 nan 8.230 nan 0.000 0.438 112 A N -0.784 122.082 122.820 0.077 0.000 2.238 112 A HA 0.321 5.263 4.320 1.037 0.000 0.208 112 A C 1.644 179.303 177.584 0.124 0.000 1.177 112 A CA 0.749 52.880 52.037 0.156 0.000 0.804 112 A CB -0.300 18.884 19.000 0.306 0.000 0.823 112 A HN 0.519 nan 8.150 nan 0.000 0.482 113 G N -2.273 106.572 108.800 0.075 0.000 2.179 113 G HA2 -0.018 4.565 3.960 1.037 0.000 0.220 113 G HA3 -0.018 4.565 3.960 1.037 0.000 0.220 113 G C 0.739 175.726 174.900 0.145 0.000 0.990 113 G CA 0.166 45.338 45.100 0.121 0.000 0.646 113 G HN 1.256 nan 8.290 nan 0.000 0.517 114 G N 0.287 109.040 108.800 -0.079 0.000 2.535 114 G HA2 0.698 5.280 3.960 1.037 0.000 0.282 114 G HA3 0.698 5.280 3.960 1.037 0.000 0.282 114 G C -1.581 173.027 174.900 -0.487 0.000 1.350 114 G CA -0.373 44.435 45.100 -0.487 0.000 1.039 114 G HN 0.293 nan 8.290 nan 0.000 0.509 115 P HA 0.184 nan 4.420 nan 0.000 0.272 115 P C -0.594 176.757 177.300 0.085 0.000 1.240 115 P CA -0.011 62.941 63.100 -0.247 0.000 0.791 115 P CB 1.419 32.910 31.700 -0.348 0.000 0.978 116 S N 1.363 117.172 115.700 0.182 0.000 2.519 116 S HA 0.741 5.833 4.470 1.037 0.000 0.309 116 S C -1.457 173.335 174.600 0.320 0.000 1.100 116 S CA -0.597 57.706 58.200 0.172 0.000 1.059 116 S CB 0.028 63.262 63.200 0.056 0.000 1.008 116 S HN 0.617 nan 8.310 nan 0.000 0.478 117 W N 3.518 124.771 121.300 -0.078 0.000 3.066 117 W HA 0.616 5.897 4.660 1.035 0.000 0.330 117 W C -1.766 174.723 176.519 -0.050 0.000 1.253 117 W CA -1.094 56.216 57.345 -0.057 0.000 1.187 117 W CB 0.608 30.029 29.460 -0.065 0.000 1.434 117 W HN 0.481 nan 8.180 nan 0.000 0.572 118 R N 2.710 123.204 120.500 -0.010 0.000 2.207 118 R HA 0.447 5.410 4.340 1.037 0.000 0.334 118 R C 0.105 176.365 176.300 -0.067 0.000 1.013 118 R CA -0.802 55.223 56.100 -0.124 0.000 0.858 118 R CB 1.388 31.681 30.300 -0.011 0.000 1.094 118 R HN 0.536 nan 8.270 nan 0.000 0.457 119 V N 1.451 121.224 119.914 -0.236 0.000 2.775 119 V HA 0.331 5.073 4.120 1.037 0.000 0.299 119 V C -2.228 173.878 176.094 0.021 0.000 1.062 119 V CA -2.179 60.093 62.300 -0.045 0.000 1.063 119 V CB 0.573 32.313 31.823 -0.138 0.000 0.994 119 V HN 0.537 nan 8.190 nan 0.000 0.483 120 P HA 0.433 nan 4.420 nan 0.000 0.271 120 P C -0.671 176.623 177.300 -0.011 0.000 1.216 120 P CA 0.100 63.218 63.100 0.030 0.000 0.776 120 P CB 0.546 32.266 31.700 0.033 0.000 0.881 121 L N 1.066 122.257 121.223 -0.053 0.000 2.303 121 L HA 0.767 5.729 4.340 1.037 0.000 0.256 121 L C 1.111 177.689 176.870 -0.486 0.000 1.034 121 L CA -0.528 54.219 54.840 -0.156 0.000 0.832 121 L CB 1.911 43.947 42.059 -0.038 0.000 1.403 121 L HN 0.626 nan 8.230 nan 0.000 0.419 122 G N 0.107 108.375 108.800 -0.887 0.000 2.273 122 G HA2 -0.132 4.451 3.960 1.037 0.000 0.162 122 G HA3 -0.132 4.451 3.960 1.037 0.000 0.162 122 G C 0.058 174.555 174.900 -0.672 0.000 1.006 122 G CA -0.681 43.526 45.100 -1.489 0.000 0.704 122 G HN 0.445 nan 8.290 nan 0.000 0.487 123 R N 0.312 120.602 120.500 -0.349 0.000 2.641 123 R HA 0.674 5.636 4.340 1.037 0.000 0.269 123 R C 0.518 176.760 176.300 -0.097 0.000 1.074 123 R CA 0.127 56.133 56.100 -0.157 0.000 1.133 123 R CB 0.607 30.871 30.300 -0.060 0.000 1.029 123 R HN 0.257 nan 8.270 nan 0.000 0.488 124 R N 0.315 120.787 120.500 -0.045 0.000 2.892 124 R HA 0.264 5.227 4.340 1.037 0.000 0.265 124 R C -1.000 175.313 176.300 0.021 0.000 1.025 124 R CA -0.996 55.104 56.100 0.001 0.000 0.982 124 R CB 1.343 31.646 30.300 0.005 0.000 1.185 124 R HN 0.518 nan 8.270 nan 0.000 0.484 125 D N 0.947 121.369 120.400 0.035 0.000 2.256 125 D HA 0.079 5.341 4.640 1.037 0.000 0.250 125 D C 0.074 176.396 176.300 0.037 0.000 1.093 125 D CA -0.020 54.004 54.000 0.040 0.000 0.882 125 D CB 1.506 42.332 40.800 0.044 0.000 1.185 125 D HN 0.485 nan 8.370 nan 0.000 0.437 126 S N 1.138 116.864 115.700 0.043 0.000 2.576 126 S HA 0.094 5.186 4.470 1.037 0.000 0.272 126 S C 1.002 175.599 174.600 -0.005 0.000 1.352 126 S CA -0.412 57.813 58.200 0.043 0.000 1.021 126 S CB 0.609 63.862 63.200 0.089 0.000 0.887 126 S HN 0.452 nan 8.310 nan 0.000 0.542 127 L N 1.155 122.361 121.223 -0.028 0.000 2.667 127 L HA 0.283 5.245 4.340 1.037 0.000 0.232 127 L C 0.822 177.592 176.870 -0.167 0.000 1.138 127 L CA -0.151 54.663 54.840 -0.043 0.000 0.921 127 L CB -0.714 41.341 42.059 -0.006 0.000 1.180 127 L HN 0.854 nan 8.230 nan 0.000 0.487 128 Q N -1.181 118.369 119.800 -0.417 0.000 2.756 128 Q HA 0.714 5.677 4.340 1.037 0.000 0.295 128 Q C -1.692 173.535 176.000 -1.289 0.000 0.903 128 Q CA -0.928 54.221 55.803 -1.090 0.000 0.768 128 Q CB 1.995 30.144 28.738 -0.980 0.000 1.472 128 Q HN -0.088 nan 8.270 nan 0.000 0.416 129 A N 0.663 122.428 122.820 -1.758 0.000 2.330 129 A HA 0.833 5.775 4.320 1.037 0.000 0.329 129 A C -1.389 175.571 177.584 -1.040 0.000 1.135 129 A CA -0.685 50.761 52.037 -0.984 0.000 0.817 129 A CB 0.685 19.410 19.000 -0.457 0.000 1.269 129 A HN 0.520 nan 8.150 nan 0.000 0.469 130 F N 2.224 122.070 119.950 -0.173 0.000 2.564 130 F HA 0.274 5.421 4.527 1.034 0.000 0.361 130 F C 0.841 176.606 175.800 -0.057 0.000 1.161 130 F CA -0.498 57.439 58.000 -0.105 0.000 1.198 130 F CB 1.104 40.048 39.000 -0.093 0.000 1.424 130 F HN 0.506 nan 8.300 nan 0.000 0.517 131 L N 1.181 122.443 121.223 0.064 0.000 1.994 131 L HA -0.131 4.831 4.340 1.037 0.000 0.208 131 L C 1.860 178.762 176.870 0.053 0.000 1.071 131 L CA 2.126 56.989 54.840 0.038 0.000 0.745 131 L CB -0.376 41.687 42.059 0.007 0.000 0.892 131 L HN 0.357 nan 8.230 nan 0.000 0.431 132 D N -0.587 119.859 120.400 0.076 0.000 2.117 132 D HA -0.195 5.067 4.640 1.037 0.000 0.197 132 D C 2.209 178.564 176.300 0.092 0.000 0.987 132 D CA 1.425 55.477 54.000 0.086 0.000 0.829 132 D CB -0.150 40.703 40.800 0.088 0.000 0.961 132 D HN 0.306 nan 8.370 nan 0.000 0.460 133 L N 0.843 122.127 121.223 0.102 0.000 2.093 133 L HA -0.039 4.923 4.340 1.037 0.000 0.208 133 L C 2.144 179.038 176.870 0.041 0.000 1.085 133 L CA 1.376 56.251 54.840 0.058 0.000 0.755 133 L CB -0.605 41.464 42.059 0.017 0.000 0.904 133 L HN -0.061 nan 8.230 nan 0.000 0.435 134 A N -0.626 122.223 122.820 0.048 0.000 1.898 134 A HA -0.190 4.752 4.320 1.037 0.000 0.216 134 A C 2.067 179.665 177.584 0.024 0.000 1.181 134 A CA 1.699 53.738 52.037 0.002 0.000 0.620 134 A CB -0.680 18.316 19.000 -0.007 0.000 0.819 134 A HN 0.552 nan 8.150 nan 0.000 0.442 135 N N 0.332 119.080 118.700 0.080 0.000 2.223 135 N HA -0.070 5.293 4.740 1.037 0.000 0.185 135 N C 1.746 177.373 175.510 0.195 0.000 1.016 135 N CA 1.454 54.620 53.050 0.193 0.000 0.863 135 N CB -0.402 38.247 38.487 0.269 0.000 0.983 135 N HN 0.496 nan 8.380 nan 0.000 0.429 136 A N 0.651 123.554 122.820 0.139 0.000 1.903 136 A HA 0.040 4.982 4.320 1.037 0.000 0.213 136 A C 1.922 179.588 177.584 0.137 0.000 1.185 136 A CA 0.922 53.041 52.037 0.137 0.000 0.628 136 A CB -0.124 18.935 19.000 0.098 0.000 0.830 136 A HN 0.163 nan 8.150 nan 0.000 0.446 137 N N -0.221 118.532 118.700 0.089 0.000 2.395 137 N HA 0.132 5.494 4.740 1.037 0.000 0.175 137 N C 0.185 175.773 175.510 0.131 0.000 1.029 137 N CA 0.241 53.352 53.050 0.100 0.000 0.897 137 N CB -0.246 38.260 38.487 0.031 0.000 0.991 137 N HN 0.385 nan 8.380 nan 0.000 0.441 138 L N 3.322 124.540 121.223 -0.008 0.000 2.410 138 L HA 0.221 5.183 4.340 1.037 0.000 0.273 138 L C -1.849 174.936 176.870 -0.142 0.000 1.144 138 L CA -1.464 53.266 54.840 -0.185 0.000 0.863 138 L CB 0.353 42.153 42.059 -0.432 0.000 1.140 138 L HN -0.020 nan 8.230 nan 0.000 0.463 139 P HA 0.220 nan 4.420 nan 0.000 0.272 139 P C -0.997 175.807 177.300 -0.826 0.000 1.230 139 P CA -0.425 62.403 63.100 -0.455 0.000 0.788 139 P CB 1.382 33.085 31.700 0.004 0.000 0.949 140 A N 2.931 124.696 122.820 -1.758 0.000 2.356 140 A HA 0.578 5.520 4.320 1.037 0.000 0.323 140 A C -1.635 175.375 177.584 -0.958 0.000 1.119 140 A CA -1.744 49.513 52.037 -1.301 0.000 0.790 140 A CB 0.730 18.681 19.000 -1.748 0.000 1.273 140 A HN 0.361 nan 8.150 nan 0.000 0.452 141 P HA -0.138 nan 4.420 nan 0.000 0.221 141 P C 0.708 178.028 177.300 0.033 0.000 1.145 141 P CA 1.309 64.316 63.100 -0.156 0.000 0.795 141 P CB -0.147 31.517 31.700 -0.059 0.000 0.775 142 F N -3.602 116.450 119.950 0.170 0.000 2.732 142 F HA 0.377 4.994 4.527 0.148 0.000 0.303 142 F C 0.599 176.627 175.800 0.380 0.000 1.110 142 F CA -1.591 56.568 58.000 0.265 0.000 1.355 142 F CB -1.261 37.873 39.000 0.222 0.000 1.081 142 F HN -0.363 nan 8.300 nan 0.000 0.565 143 F N 2.662 122.608 119.950 -0.008 0.000 2.506 143 F HA 0.264 5.423 4.527 1.054 0.000 0.351 143 F C 1.381 177.264 175.800 0.137 0.000 1.136 143 F CA -1.343 56.701 58.000 0.074 0.000 1.298 143 F CB 0.556 39.558 39.000 0.002 0.000 1.145 143 F HN 0.084 nan 8.300 nan 0.000 0.593 144 T N 0.861 115.564 114.554 0.248 0.000 2.788 144 T HA 0.241 5.214 4.350 1.037 0.000 0.280 144 T C 1.138 175.930 174.700 0.153 0.000 0.984 144 T CA -0.784 61.422 62.100 0.177 0.000 0.972 144 T CB 0.821 69.749 68.868 0.101 0.000 1.039 144 T HN 0.462 nan 8.240 nan 0.000 0.530 145 L N 1.380 122.673 121.223 0.118 0.000 2.046 145 L HA 0.159 5.121 4.340 1.037 0.000 0.208 145 L C -0.897 176.014 176.870 0.068 0.000 1.077 145 L CA 1.577 56.471 54.840 0.090 0.000 0.747 145 L CB -1.706 40.390 42.059 0.063 0.000 0.896 145 L HN 0.525 nan 8.230 nan 0.000 0.432 146 P HA -0.176 nan 4.420 nan 0.000 0.217 146 P C 1.479 178.792 177.300 0.021 0.000 1.150 146 P CA 1.462 64.578 63.100 0.028 0.000 0.832 146 P CB -0.017 31.691 31.700 0.012 0.000 0.787 147 Q N -0.996 118.799 119.800 -0.009 0.000 2.119 147 Q HA -0.073 4.889 4.340 1.037 0.000 0.201 147 Q C 2.144 178.206 176.000 0.103 0.000 0.972 147 Q CA 1.028 56.760 55.803 -0.119 0.000 0.847 147 Q CB -0.584 27.882 28.738 -0.453 0.000 0.903 147 Q HN 0.290 nan 8.270 nan 0.000 0.433 148 L N 0.575 121.940 121.223 0.237 0.000 2.027 148 L HA -0.207 4.755 4.340 1.037 0.000 0.206 148 L C 2.280 179.303 176.870 0.254 0.000 1.074 148 L CA 1.298 56.338 54.840 0.333 0.000 0.745 148 L CB -0.311 41.860 42.059 0.186 0.000 0.898 148 L HN 0.131 nan 8.230 nan 0.000 0.433 149 K N -0.179 120.298 120.400 0.130 0.000 2.057 149 K HA -0.182 4.761 4.320 1.037 0.000 0.207 149 K C 1.745 178.455 176.600 0.184 0.000 1.049 149 K CA 1.546 57.900 56.287 0.113 0.000 0.931 149 K CB -0.197 32.337 32.500 0.058 0.000 0.714 149 K HN 0.236 nan 8.250 nan 0.000 0.440 150 D N 0.392 120.879 120.400 0.146 0.000 2.123 150 D HA -0.149 5.113 4.640 1.037 0.000 0.196 150 D C 2.118 178.537 176.300 0.198 0.000 0.992 150 D CA 1.758 55.833 54.000 0.125 0.000 0.833 150 D CB -0.328 40.504 40.800 0.053 0.000 0.954 150 D HN 0.201 nan 8.370 nan 0.000 0.455 151 S N -0.158 115.735 115.700 0.321 0.000 2.368 151 S HA -0.169 4.923 4.470 1.037 0.000 0.225 151 S C 2.081 176.931 174.600 0.418 0.000 1.030 151 S CA 0.692 59.144 58.200 0.420 0.000 0.999 151 S CB -0.760 62.821 63.200 0.635 0.000 0.844 151 S HN 0.090 nan 8.310 nan 0.000 0.459 152 F N 2.344 122.453 119.950 0.265 0.000 2.113 152 F HA 0.201 5.345 4.527 1.028 0.000 0.297 152 F C 2.776 178.583 175.800 0.011 0.000 1.103 152 F CA 0.864 58.983 58.000 0.198 0.000 1.248 152 F CB -0.504 38.641 39.000 0.242 0.000 0.999 152 F HN 0.107 nan 8.300 nan 0.000 0.475 153 R N -0.183 120.450 120.500 0.222 0.000 2.096 153 R HA -0.203 4.759 4.340 1.037 0.000 0.235 153 R C 1.894 178.199 176.300 0.009 0.000 1.127 153 R CA 1.456 57.611 56.100 0.092 0.000 0.968 153 R CB -0.736 29.616 30.300 0.088 0.000 0.861 153 R HN 0.243 nan 8.270 nan 0.000 0.440 154 N N 0.703 119.410 118.700 0.012 0.000 2.205 154 N HA -0.139 5.223 4.740 1.037 0.000 0.186 154 N C 1.477 176.908 175.510 -0.132 0.000 1.015 154 N CA 1.493 54.521 53.050 -0.037 0.000 0.862 154 N CB 0.163 38.651 38.487 0.003 0.000 0.986 154 N HN 0.176 nan 8.380 nan 0.000 0.429 155 V N -4.572 115.187 119.914 -0.257 0.000 3.647 155 V HA 0.555 5.297 4.120 1.037 0.000 0.279 155 V C 1.234 177.148 176.094 -0.300 0.000 1.314 155 V CA 0.541 62.610 62.300 -0.386 0.000 1.125 155 V CB -0.104 31.234 31.823 -0.808 0.000 0.907 155 V HN 0.314 nan 8.190 nan 0.000 0.434 156 G N 0.629 109.315 108.800 -0.189 0.000 2.192 156 G HA2 -0.156 4.426 3.960 1.037 0.000 0.193 156 G HA3 -0.156 4.426 3.960 1.037 0.000 0.193 156 G C -0.130 174.730 174.900 -0.067 0.000 0.999 156 G CA -0.064 44.965 45.100 -0.118 0.000 0.659 156 G HN 0.480 nan 8.290 nan 0.000 0.503 157 L N 1.830 123.024 121.223 -0.048 0.000 2.314 157 L HA 0.405 5.368 4.340 1.037 0.000 0.275 157 L C 1.004 177.957 176.870 0.139 0.000 1.068 157 L CA -0.891 53.992 54.840 0.073 0.000 0.894 157 L CB 0.833 42.991 42.059 0.166 0.000 1.275 157 L HN -0.028 nan 8.230 nan 0.000 0.432 158 N N 1.707 120.458 118.700 0.086 0.000 2.354 158 N HA 0.003 5.366 4.740 1.037 0.000 0.179 158 N C 0.461 176.021 175.510 0.084 0.000 1.021 158 N CA 0.585 53.683 53.050 0.079 0.000 0.887 158 N CB 0.209 38.723 38.487 0.044 0.000 0.974 158 N HN 0.471 nan 8.380 nan 0.000 0.437 159 R N 0.409 120.963 120.500 0.091 0.000 2.389 159 R HA 0.228 5.190 4.340 1.037 0.000 0.295 159 R C 1.075 177.421 176.300 0.077 0.000 1.075 159 R CA -0.122 56.024 56.100 0.077 0.000 1.005 159 R CB 0.679 31.024 30.300 0.074 0.000 0.987 159 R HN -0.035 nan 8.270 nan 0.000 0.452 160 S N 0.891 116.619 115.700 0.046 0.000 2.419 160 S HA -0.169 4.923 4.470 1.037 0.000 0.233 160 S C 1.853 176.482 174.600 0.049 0.000 1.016 160 S CA 1.446 59.659 58.200 0.021 0.000 0.974 160 S CB -0.045 63.157 63.200 0.003 0.000 0.786 160 S HN 0.698 nan 8.310 nan 0.000 0.492 161 S N 1.317 117.069 115.700 0.086 0.000 2.402 161 S HA -0.145 4.948 4.470 1.037 0.000 0.229 161 S C 1.478 176.201 174.600 0.204 0.000 1.021 161 S CA 1.153 59.454 58.200 0.167 0.000 0.974 161 S CB -0.405 62.897 63.200 0.170 0.000 0.800 161 S HN 0.420 nan 8.310 nan 0.000 0.484 162 D N 1.175 121.672 120.400 0.161 0.000 2.092 162 D HA -0.103 5.160 4.640 1.037 0.000 0.193 162 D C 1.937 178.367 176.300 0.217 0.000 0.994 162 D CA 1.154 55.282 54.000 0.213 0.000 0.828 162 D CB -0.583 40.388 40.800 0.285 0.000 0.963 162 D HN 0.383 nan 8.370 nan 0.000 0.450 163 L N 0.813 122.036 121.223 0.001 0.000 2.017 163 L HA -0.138 4.825 4.340 1.037 0.000 0.208 163 L C 2.265 179.083 176.870 -0.087 0.000 1.073 163 L CA 1.381 55.971 54.840 -0.416 0.000 0.745 163 L CB -0.472 41.240 42.059 -0.579 0.000 0.894 163 L HN -0.131 nan 8.230 nan 0.000 0.432 164 V N 0.039 120.014 119.914 0.102 0.000 2.358 164 V HA -0.210 4.532 4.120 1.037 0.000 0.246 164 V C 2.772 179.208 176.094 0.571 0.000 1.047 164 V CA 1.510 63.992 62.300 0.303 0.000 1.035 164 V CB -1.388 30.574 31.823 0.232 0.000 0.658 164 V HN 0.594 nan 8.190 nan 0.000 0.452 165 A N -0.165 123.005 122.820 0.585 0.000 1.873 165 A HA -0.091 4.851 4.320 1.037 0.000 0.215 165 A C 2.192 180.121 177.584 0.574 0.000 1.186 165 A CA 1.548 53.951 52.037 0.609 0.000 0.616 165 A CB -0.521 18.687 19.000 0.347 0.000 0.823 165 A HN 0.483 nan 8.150 nan 0.000 0.442 166 L N -0.259 121.162 121.223 0.331 0.000 2.201 166 L HA -0.110 4.852 4.340 1.037 0.000 0.212 166 L C 2.563 179.462 176.870 0.047 0.000 1.105 166 L CA 1.110 56.088 54.840 0.229 0.000 0.775 166 L CB -0.288 41.869 42.059 0.163 0.000 0.913 166 L HN 0.284 nan 8.230 nan 0.000 0.440 167 S N 0.114 115.791 115.700 -0.039 0.000 2.469 167 S HA -0.095 4.998 4.470 1.037 0.000 0.238 167 S C 1.948 176.096 174.600 -0.753 0.000 0.998 167 S CA 0.952 58.933 58.200 -0.366 0.000 0.957 167 S CB -0.337 62.793 63.200 -0.118 0.000 0.764 167 S HN 0.618 nan 8.310 nan 0.000 0.514 168 G N 1.061 109.639 108.800 -0.370 0.000 2.586 168 G HA2 0.006 4.588 3.960 1.037 0.000 0.215 168 G HA3 0.006 4.588 3.960 1.037 0.000 0.215 168 G C 1.241 175.782 174.900 -0.599 0.000 1.128 168 G CA 0.583 45.286 45.100 -0.662 0.000 0.774 168 G HN 0.550 nan 8.290 nan 0.000 0.543 169 G N -0.471 108.136 108.800 -0.323 0.000 2.498 169 G HA2 -0.125 4.457 3.960 1.037 0.000 0.219 169 G HA3 -0.125 4.457 3.960 1.037 0.000 0.219 169 G C 1.096 175.924 174.900 -0.120 0.000 1.119 169 G CA 0.256 45.319 45.100 -0.062 0.000 0.766 169 G HN 0.681 nan 8.290 nan 0.000 0.552 170 H N -0.566 118.138 119.070 -0.609 0.000 2.592 170 H HA 0.133 5.309 4.556 1.033 0.000 0.291 170 H C 2.011 177.161 175.328 -0.297 0.000 1.052 170 H CA 0.209 55.871 56.048 -0.643 0.000 1.175 170 H CB 0.505 29.781 29.762 -0.810 0.000 1.378 170 H HN 0.249 nan 8.280 nan 0.000 0.576 171 T N 0.681 115.074 114.554 -0.268 0.000 3.118 171 T HA -0.018 4.954 4.350 1.037 0.000 0.260 171 T C -0.152 174.589 174.700 0.068 0.000 1.139 171 T CA 0.188 62.162 62.100 -0.210 0.000 1.085 171 T CB -0.067 68.433 68.868 -0.612 0.000 0.934 171 T HN 0.337 nan 8.240 nan 0.000 0.518 172 F N -1.619 118.318 119.950 -0.020 0.000 2.789 172 F HA 0.714 5.863 4.527 1.036 0.000 0.319 172 F C 0.023 175.899 175.800 0.125 0.000 1.168 172 F CA -1.785 56.260 58.000 0.076 0.000 0.934 172 F CB 0.770 39.823 39.000 0.088 0.000 1.375 172 F HN 0.133 nan 8.300 nan 0.000 0.480 173 G N 1.344 110.209 108.800 0.109 0.000 2.712 173 G HA2 0.207 4.789 3.960 1.037 0.000 0.683 173 G HA3 0.207 4.789 3.960 1.037 0.000 0.683 173 G C -1.672 173.377 174.900 0.248 0.000 1.320 173 G CA -0.754 44.362 45.100 0.028 0.000 0.847 173 G HN 0.781 nan 8.290 nan 0.000 0.553 174 K N 0.005 120.528 120.400 0.205 0.000 2.281 174 K HA 0.693 5.635 4.320 1.037 0.000 0.242 174 K C -0.210 176.459 176.600 0.116 0.000 0.971 174 K CA -1.000 55.366 56.287 0.131 0.000 0.834 174 K CB 2.082 34.617 32.500 0.058 0.000 1.181 174 K HN 0.803 nan 8.250 nan 0.000 0.435 175 N N 0.562 119.184 118.700 -0.131 0.000 2.336 175 N HA 0.099 5.461 4.740 1.037 0.000 0.290 175 N C -1.388 174.104 175.510 -0.029 0.000 1.058 175 N CA -0.377 52.574 53.050 -0.166 0.000 0.865 175 N CB 1.458 39.477 38.487 -0.781 0.000 1.581 175 N HN 0.300 nan 8.380 nan 0.000 0.480 176 Q N 1.775 121.654 119.800 0.131 0.000 2.352 176 Q HA 0.174 5.136 4.340 1.037 0.000 0.260 176 Q C 0.659 176.618 176.000 -0.068 0.000 0.976 176 Q CA -0.475 55.325 55.803 -0.004 0.000 0.881 176 Q CB 1.000 29.674 28.738 -0.107 0.000 1.235 176 Q HN 0.747 nan 8.270 nan 0.000 0.419 177 c N 1.717 120.265 118.600 -0.086 0.000 2.403 177 c HA -0.207 4.985 4.570 1.037 0.000 0.279 177 c C 2.444 176.479 174.090 -0.092 0.000 1.269 177 c CA 1.261 57.549 56.329 -0.069 0.000 1.774 177 c CB -1.181 41.303 42.510 -0.045 0.000 1.993 177 c HN 0.952 nan 8.230 nan 0.000 0.496 178 R N 0.326 120.693 120.500 -0.222 0.000 2.133 178 R HA -0.184 4.779 4.340 1.037 0.000 0.247 178 R C 1.558 177.732 176.300 -0.211 0.000 1.151 178 R CA 2.104 58.030 56.100 -0.291 0.000 0.971 178 R CB -0.995 29.000 30.300 -0.508 0.000 0.866 178 R HN 0.408 nan 8.270 nan 0.000 0.447 179 F N 1.532 121.522 119.950 0.066 0.000 2.748 179 F HA 0.183 5.253 4.527 0.904 0.000 0.299 179 F C 1.864 177.718 175.800 0.090 0.000 1.154 179 F CA 0.060 58.119 58.000 0.098 0.000 1.446 179 F CB -0.008 39.040 39.000 0.081 0.000 1.112 179 F HN 0.158 nan 8.300 nan 0.000 0.584 180 I N -5.158 115.512 120.570 0.168 0.000 4.338 180 I HA 0.104 4.896 4.170 1.037 0.000 0.329 180 I C 1.568 177.726 176.117 0.069 0.000 1.378 180 I CA 0.026 61.386 61.300 0.100 0.000 1.170 180 I CB -0.064 37.932 38.000 -0.007 0.000 1.206 180 I HN -0.202 nan 8.210 nan 0.000 0.432 181 M N 2.676 122.337 119.600 0.101 0.000 2.144 181 M HA -0.174 4.928 4.480 1.037 0.000 0.260 181 M C 1.959 178.369 176.300 0.182 0.000 1.067 181 M CA 2.074 57.469 55.300 0.157 0.000 1.095 181 M CB -1.149 31.544 32.600 0.154 0.000 1.365 181 M HN 0.579 nan 8.290 nan 0.000 0.406 182 D N -0.004 120.508 120.400 0.187 0.000 2.117 182 D HA -0.187 5.076 4.640 1.037 0.000 0.198 182 D C 1.912 178.384 176.300 0.286 0.000 0.982 182 D CA 1.213 55.354 54.000 0.235 0.000 0.828 182 D CB -0.712 40.230 40.800 0.236 0.000 0.967 182 D HN 0.375 nan 8.370 nan 0.000 0.464 183 R N 0.092 120.729 120.500 0.228 0.000 2.120 183 R HA 0.034 4.996 4.340 1.037 0.000 0.234 183 R C 2.625 178.842 176.300 -0.137 0.000 1.123 183 R CA 0.822 56.921 56.100 -0.001 0.000 0.975 183 R CB -0.260 29.969 30.300 -0.119 0.000 0.866 183 R HN 0.309 nan 8.270 nan 0.000 0.446 184 L N -1.411 119.677 121.223 -0.224 0.000 2.209 184 L HA -0.052 4.910 4.340 1.037 0.000 0.207 184 L C 1.291 177.719 176.870 -0.738 0.000 1.094 184 L CA 1.142 55.635 54.840 -0.578 0.000 0.790 184 L CB -0.063 41.464 42.059 -0.888 0.000 0.932 184 L HN 0.169 nan 8.230 nan 0.000 0.447 185 Y N -2.435 117.888 120.300 0.038 0.000 2.572 185 Y HA 0.239 5.408 4.550 1.032 0.000 0.274 185 Y C 0.574 176.509 175.900 0.058 0.000 1.135 185 Y CA -0.741 57.381 58.100 0.036 0.000 1.230 185 Y CB 0.485 38.956 38.460 0.019 0.000 1.293 185 Y HN 0.039 nan 8.280 nan 0.000 0.501 186 N N 0.203 119.034 118.700 0.219 0.000 2.732 186 N HA 0.106 5.469 4.740 1.037 0.000 0.247 186 N C -2.032 173.591 175.510 0.187 0.000 1.305 186 N CA -0.307 52.844 53.050 0.169 0.000 0.762 186 N CB -0.010 38.551 38.487 0.124 0.000 1.361 186 N HN 0.003 nan 8.380 nan 0.000 0.545 187 F N 3.054 123.025 119.950 0.036 0.000 2.420 187 F HA 0.396 5.540 4.527 1.029 0.000 0.352 187 F C 1.253 177.073 175.800 0.034 0.000 1.108 187 F CA 0.046 58.067 58.000 0.036 0.000 1.162 187 F CB 0.959 39.977 39.000 0.029 0.000 1.118 187 F HN 0.523 nan 8.300 nan 0.000 0.510 188 S N 5.620 120.991 115.700 -0.547 0.000 3.559 188 S HA -0.291 4.801 4.470 1.037 0.000 0.369 188 S C 0.470 174.978 174.600 -0.154 0.000 0.987 188 S CA 0.907 58.864 58.200 -0.406 0.000 1.187 188 S CB -1.651 61.262 63.200 -0.479 0.000 0.914 188 S HN 0.980 nan 8.310 nan 0.000 0.480 189 N N -1.303 117.343 118.700 -0.090 0.000 2.693 189 N HA -0.218 5.144 4.740 1.037 0.000 0.249 189 N C 0.741 176.249 175.510 -0.004 0.000 1.119 189 N CA 1.563 54.592 53.050 -0.035 0.000 0.717 189 N CB -2.053 36.407 38.487 -0.046 0.000 1.071 189 N HN 0.961 nan 8.380 nan 0.000 0.555 190 T N -4.455 110.113 114.554 0.023 0.000 3.065 190 T HA 0.336 5.308 4.350 1.037 0.000 0.252 190 T C 1.514 176.248 174.700 0.056 0.000 1.099 190 T CA 1.107 63.235 62.100 0.047 0.000 1.063 190 T CB 0.517 69.434 68.868 0.082 0.000 0.948 190 T HN 0.619 nan 8.240 nan 0.000 0.506 191 G N 1.175 110.014 108.800 0.064 0.000 2.168 191 G HA2 -0.206 4.376 3.960 1.037 0.000 0.263 191 G HA3 -0.206 4.376 3.960 1.037 0.000 0.263 191 G C -0.122 174.829 174.900 0.084 0.000 0.977 191 G CA 0.582 45.723 45.100 0.068 0.000 0.659 191 G HN 0.648 nan 8.290 nan 0.000 0.533 192 L N 0.552 121.834 121.223 0.098 0.000 2.309 192 L HA 0.603 5.566 4.340 1.037 0.000 0.261 192 L C -1.996 174.937 176.870 0.104 0.000 1.021 192 L CA -2.685 52.209 54.840 0.089 0.000 0.823 192 L CB 2.493 44.595 42.059 0.072 0.000 1.366 192 L HN -0.132 nan 8.230 nan 0.000 0.423 193 P HA -0.001 nan 4.420 nan 0.000 0.274 193 P C -1.114 176.161 177.300 -0.041 0.000 1.246 193 P CA -0.302 62.787 63.100 -0.019 0.000 0.795 193 P CB 0.649 32.291 31.700 -0.098 0.000 1.006 194 D N 2.149 122.416 120.400 -0.222 0.000 2.412 194 D HA -0.008 5.254 4.640 1.037 0.000 0.257 194 D C -1.023 175.126 176.300 -0.251 0.000 1.217 194 D CA -1.784 51.904 54.000 -0.519 0.000 0.897 194 D CB 0.270 40.433 40.800 -1.062 0.000 1.132 194 D HN 0.196 nan 8.370 nan 0.000 0.493 195 P HA -0.128 nan 4.420 nan 0.000 0.225 195 P C 0.849 178.111 177.300 -0.062 0.000 1.148 195 P CA 0.959 64.023 63.100 -0.060 0.000 0.779 195 P CB -0.086 31.610 31.700 -0.005 0.000 0.780 196 T N -3.567 110.926 114.554 -0.101 0.000 3.169 196 T HA 0.167 5.139 4.350 1.037 0.000 0.250 196 T C 0.540 175.209 174.700 -0.052 0.000 1.111 196 T CA -0.384 61.684 62.100 -0.053 0.000 1.010 196 T CB -0.552 68.293 68.868 -0.038 0.000 0.984 196 T HN -0.090 nan 8.240 nan 0.000 0.537 197 L N 3.133 124.303 121.223 -0.089 0.000 2.272 197 L HA 0.432 5.394 4.340 1.037 0.000 0.289 197 L C -0.026 176.835 176.870 -0.016 0.000 1.032 197 L CA -0.985 53.821 54.840 -0.057 0.000 0.810 197 L CB 0.796 42.780 42.059 -0.124 0.000 1.205 197 L HN 0.173 nan 8.230 nan 0.000 0.422 198 N N 2.512 121.234 118.700 0.036 0.000 2.294 198 N HA -0.141 5.222 4.740 1.037 0.000 0.263 198 N C 0.929 176.462 175.510 0.039 0.000 1.281 198 N CA 0.946 54.020 53.050 0.040 0.000 0.846 198 N CB 1.041 39.559 38.487 0.052 0.000 1.061 198 N HN 0.891 nan 8.380 nan 0.000 0.478 199 T N 0.685 115.247 114.554 0.013 0.000 2.881 199 T HA -0.123 4.849 4.350 1.037 0.000 0.270 199 T C 1.671 176.380 174.700 0.015 0.000 1.068 199 T CA 1.676 63.776 62.100 0.001 0.000 1.131 199 T CB -0.305 68.561 68.868 -0.003 0.000 0.871 199 T HN 0.516 nan 8.240 nan 0.000 0.479 200 T N 0.599 115.176 114.554 0.037 0.000 2.812 200 T HA 0.007 4.980 4.350 1.037 0.000 0.264 200 T C 1.461 176.223 174.700 0.102 0.000 1.042 200 T CA 0.973 63.102 62.100 0.048 0.000 1.140 200 T CB -0.528 68.361 68.868 0.035 0.000 0.870 200 T HN 0.428 nan 8.240 nan 0.000 0.445 201 Y N 1.865 122.136 120.300 -0.049 0.000 2.293 201 Y HA 0.025 5.198 4.550 1.038 0.000 0.291 201 Y C 2.038 177.899 175.900 -0.065 0.000 1.137 201 Y CA 0.017 58.084 58.100 -0.055 0.000 1.202 201 Y CB -0.746 37.676 38.460 -0.064 0.000 0.990 201 Y HN 0.104 nan 8.280 nan 0.000 0.537 202 L N 0.374 121.570 121.223 -0.046 0.000 2.012 202 L HA -0.244 4.718 4.340 1.037 0.000 0.210 202 L C 2.092 178.874 176.870 -0.147 0.000 1.073 202 L CA 1.975 56.718 54.840 -0.161 0.000 0.748 202 L CB -0.940 41.050 42.059 -0.114 0.000 0.891 202 L HN 0.108 nan 8.230 nan 0.000 0.431 203 Q N -0.582 119.179 119.800 -0.065 0.000 2.050 203 Q HA -0.149 4.813 4.340 1.037 0.000 0.202 203 Q C 2.251 178.227 176.000 -0.041 0.000 0.980 203 Q CA 2.399 58.179 55.803 -0.038 0.000 0.840 203 Q CB -1.003 27.733 28.738 -0.004 0.000 0.898 203 Q HN 0.559 nan 8.270 nan 0.000 0.424 204 T N 0.934 115.472 114.554 -0.027 0.000 2.684 204 T HA -0.108 4.865 4.350 1.037 0.000 0.267 204 T C 1.815 176.459 174.700 -0.093 0.000 1.036 204 T CA 1.138 63.229 62.100 -0.015 0.000 1.148 204 T CB -0.325 68.595 68.868 0.086 0.000 0.863 204 T HN 0.171 nan 8.240 nan 0.000 0.436 205 L N 0.243 121.327 121.223 -0.233 0.000 2.083 205 L HA -0.062 4.901 4.340 1.037 0.000 0.209 205 L C 2.860 179.636 176.870 -0.156 0.000 1.083 205 L CA 1.285 55.961 54.840 -0.274 0.000 0.752 205 L CB -0.466 41.314 42.059 -0.465 0.000 0.899 205 L HN 0.159 nan 8.230 nan 0.000 0.433 206 R N -0.200 120.220 120.500 -0.134 0.000 2.115 206 R HA -0.090 4.873 4.340 1.037 0.000 0.230 206 R C 2.330 178.660 176.300 0.049 0.000 1.111 206 R CA 1.096 57.181 56.100 -0.024 0.000 0.976 206 R CB -0.483 29.806 30.300 -0.018 0.000 0.870 206 R HN 0.419 nan 8.270 nan 0.000 0.445 207 G N 0.439 109.242 108.800 0.005 0.000 2.421 207 G HA2 -0.156 4.426 3.960 1.037 0.000 0.217 207 G HA3 -0.156 4.426 3.960 1.037 0.000 0.217 207 G C 1.344 176.249 174.900 0.009 0.000 1.143 207 G CA 0.211 45.320 45.100 0.015 0.000 0.784 207 G HN 0.135 nan 8.290 nan 0.000 0.541 208 L N -0.363 120.854 121.223 -0.010 0.000 2.270 208 L HA 0.164 5.126 4.340 1.037 0.000 0.210 208 L C 0.557 177.424 176.870 -0.004 0.000 1.104 208 L CA 0.179 55.010 54.840 -0.013 0.000 0.804 208 L CB 0.261 42.300 42.059 -0.035 0.000 0.937 208 L HN 0.115 nan 8.230 nan 0.000 0.450 209 c N 1.072 119.680 118.600 0.013 0.000 3.273 209 c HA 0.340 5.532 4.570 1.037 0.000 0.227 209 c C -2.076 172.103 174.090 0.148 0.000 1.409 209 c CA -1.596 54.763 56.329 0.050 0.000 1.516 209 c CB -0.324 42.204 42.510 0.030 0.000 1.853 209 c HN 0.110 nan 8.230 nan 0.000 0.472 210 P HA 0.049 nan 4.420 nan 0.000 0.269 210 P C -0.054 177.209 177.300 -0.061 0.000 1.215 210 P CA 0.104 63.246 63.100 0.070 0.000 0.780 210 P CB 1.136 32.842 31.700 0.009 0.000 0.898 211 L N 2.928 123.935 121.223 -0.360 0.000 2.490 211 L HA -0.026 4.936 4.340 1.037 0.000 0.274 211 L C 1.044 177.776 176.870 -0.231 0.000 1.201 211 L CA 0.624 55.150 54.840 -0.524 0.000 0.869 211 L CB -0.767 40.812 42.059 -0.800 0.000 1.123 211 L HN 0.634 nan 8.230 nan 0.000 0.484 212 N N 1.340 119.944 118.700 -0.160 0.000 2.800 212 N HA -0.169 5.193 4.740 1.037 0.000 0.250 212 N C 0.348 175.818 175.510 -0.067 0.000 1.078 212 N CA 0.293 53.285 53.050 -0.097 0.000 0.804 212 N CB -0.883 37.547 38.487 -0.095 0.000 1.135 212 N HN 0.808 nan 8.380 nan 0.000 0.565 213 G N 0.550 109.315 108.800 -0.058 0.000 2.531 213 G HA2 0.211 4.793 3.960 1.037 0.000 0.281 213 G HA3 0.211 4.793 3.960 1.037 0.000 0.281 213 G C -0.189 174.693 174.900 -0.029 0.000 1.382 213 G CA -0.415 44.664 45.100 -0.035 0.000 1.045 213 G HN 0.298 nan 8.290 nan 0.000 0.533 214 N N 0.113 118.800 118.700 -0.023 0.000 2.406 214 N HA 0.040 5.403 4.740 1.037 0.000 0.265 214 N C 1.395 176.885 175.510 -0.033 0.000 1.203 214 N CA -0.426 52.609 53.050 -0.025 0.000 0.945 214 N CB 0.198 38.674 38.487 -0.019 0.000 1.165 214 N HN 0.326 nan 8.380 nan 0.000 0.485 215 L N 2.304 123.500 121.223 -0.045 0.000 2.362 215 L HA -0.076 4.886 4.340 1.037 0.000 0.219 215 L C 1.746 178.559 176.870 -0.095 0.000 1.134 215 L CA 0.595 55.392 54.840 -0.072 0.000 0.807 215 L CB -0.093 41.915 42.059 -0.085 0.000 0.927 215 L HN 0.532 nan 8.230 nan 0.000 0.447 216 S N -0.192 115.470 115.700 -0.064 0.000 2.593 216 S HA 0.231 5.323 4.470 1.037 0.000 0.217 216 S C 1.057 175.638 174.600 -0.033 0.000 0.966 216 S CA -0.074 58.095 58.200 -0.053 0.000 0.914 216 S CB -0.032 63.152 63.200 -0.026 0.000 0.776 216 S HN 0.361 nan 8.310 nan 0.000 0.523 217 A N 1.676 124.476 122.820 -0.033 0.000 2.531 217 A HA 0.400 5.342 4.320 1.037 0.000 0.236 217 A C -0.002 177.567 177.584 -0.025 0.000 1.062 217 A CA 0.119 52.143 52.037 -0.022 0.000 0.760 217 A CB -0.015 18.973 19.000 -0.021 0.000 0.995 217 A HN 0.465 nan 8.150 nan 0.000 0.501 218 L N 2.400 123.614 121.223 -0.015 0.000 2.322 218 L HA 0.642 5.605 4.340 1.037 0.000 0.279 218 L C -0.059 176.794 176.870 -0.028 0.000 1.036 218 L CA -0.640 54.191 54.840 -0.016 0.000 0.807 218 L CB 1.434 43.495 42.059 0.003 0.000 1.226 218 L HN 0.513 nan 8.230 nan 0.000 0.433 219 V N 1.847 121.726 119.914 -0.058 0.000 2.823 219 V HA 0.390 5.132 4.120 1.037 0.000 0.312 219 V C -0.851 175.194 176.094 -0.082 0.000 1.072 219 V CA -0.684 61.575 62.300 -0.068 0.000 0.937 219 V CB 2.493 34.255 31.823 -0.102 0.000 1.013 219 V HN 0.669 nan 8.190 nan 0.000 0.430 220 D N 4.118 124.510 120.400 -0.013 0.000 2.389 220 D HA 0.127 5.389 4.640 1.037 0.000 0.247 220 D C 0.528 176.852 176.300 0.041 0.000 1.128 220 D CA 0.321 54.348 54.000 0.045 0.000 0.884 220 D CB 1.302 42.156 40.800 0.090 0.000 1.194 220 D HN 0.526 nan 8.370 nan 0.000 0.441 221 F N 0.547 120.539 119.950 0.070 0.000 2.186 221 F HA -0.143 4.998 4.527 1.024 0.000 0.299 221 F C 1.353 177.225 175.800 0.120 0.000 1.090 221 F CA 0.941 58.988 58.000 0.078 0.000 1.307 221 F CB 0.248 39.281 39.000 0.054 0.000 1.019 221 F HN 0.201 nan 8.300 nan 0.000 0.489 222 D N 0.131 120.709 120.400 0.296 0.000 2.453 222 D HA 0.142 5.405 4.640 1.037 0.000 0.238 222 D C 0.931 177.286 176.300 0.092 0.000 1.088 222 D CA -0.246 53.857 54.000 0.171 0.000 0.854 222 D CB 0.846 41.738 40.800 0.152 0.000 1.076 222 D HN 0.235 nan 8.370 nan 0.000 0.533 223 L N 1.947 123.184 121.223 0.024 0.000 2.362 223 L HA 0.117 5.079 4.340 1.037 0.000 0.219 223 L C 1.731 178.581 176.870 -0.033 0.000 1.134 223 L CA 0.388 55.221 54.840 -0.011 0.000 0.807 223 L CB 0.061 42.042 42.059 -0.130 0.000 0.927 223 L HN 0.138 nan 8.230 nan 0.000 0.447 224 R N 0.946 121.419 120.500 -0.046 0.000 2.051 224 R HA 0.039 5.001 4.340 1.037 0.000 0.225 224 R C 0.482 176.782 176.300 -0.001 0.000 1.155 224 R CA 1.578 57.654 56.100 -0.040 0.000 0.945 224 R CB -0.208 30.056 30.300 -0.060 0.000 0.840 224 R HN 0.544 nan 8.270 nan 0.000 0.432 225 T N -1.721 112.845 114.554 0.019 0.000 3.226 225 T HA 0.308 5.280 4.350 1.037 0.000 0.378 225 T C -2.476 172.276 174.700 0.087 0.000 1.380 225 T CA -1.878 60.249 62.100 0.046 0.000 1.396 225 T CB 1.664 70.555 68.868 0.038 0.000 1.044 225 T HN -0.155 nan 8.240 nan 0.000 0.586 226 P HA -0.160 nan 4.420 nan 0.000 0.217 226 P C 1.473 178.894 177.300 0.201 0.000 1.151 226 P CA 1.570 64.754 63.100 0.141 0.000 0.849 226 P CB 0.072 31.835 31.700 0.105 0.000 0.787 227 T N -6.083 108.585 114.554 0.190 0.000 3.043 227 T HA 0.295 5.267 4.350 1.037 0.000 0.272 227 T C 0.436 175.318 174.700 0.303 0.000 0.990 227 T CA -0.222 62.034 62.100 0.261 0.000 0.897 227 T CB -0.373 68.597 68.868 0.170 0.000 1.111 227 T HN -0.091 nan 8.240 nan 0.000 0.529 228 I N 1.892 122.581 120.570 0.198 0.000 2.359 228 I HA 0.422 5.214 4.170 1.037 0.000 0.294 228 I C -0.680 175.458 176.117 0.034 0.000 0.987 228 I CA -1.277 60.107 61.300 0.141 0.000 1.225 228 I CB 1.419 39.480 38.000 0.102 0.000 1.366 228 I HN 0.116 nan 8.210 nan 0.000 0.466 229 F N 7.627 127.477 119.950 -0.168 0.000 2.439 229 F HA 0.207 5.356 4.527 1.036 0.000 0.356 229 F C -0.081 175.715 175.800 -0.007 0.000 1.161 229 F CA -0.096 57.685 58.000 -0.364 0.000 1.151 229 F CB -0.204 38.444 39.000 -0.587 0.000 1.222 229 F HN 0.551 nan 8.300 nan 0.000 0.558 230 D N 2.516 122.819 120.400 -0.161 0.000 2.752 230 D HA 0.137 5.399 4.640 1.037 0.000 0.313 230 D C -0.162 176.181 176.300 0.072 0.000 1.225 230 D CA -0.753 53.343 54.000 0.161 0.000 0.976 230 D CB 0.148 41.006 40.800 0.098 0.000 1.443 230 D HN 0.243 nan 8.370 nan 0.000 0.515 231 N N -0.322 118.447 118.700 0.114 0.000 2.383 231 N HA -0.066 5.296 4.740 1.037 0.000 0.192 231 N C 0.554 176.053 175.510 -0.018 0.000 1.141 231 N CA -0.023 53.016 53.050 -0.018 0.000 0.851 231 N CB 0.010 38.525 38.487 0.046 0.000 0.976 231 N HN 0.194 nan 8.380 nan 0.000 0.465 232 K N 0.535 120.905 120.400 -0.051 0.000 2.211 232 K HA -0.182 4.761 4.320 1.037 0.000 0.204 232 K C 1.397 177.931 176.600 -0.111 0.000 1.047 232 K CA 0.684 56.931 56.287 -0.067 0.000 0.935 232 K CB -0.807 31.660 32.500 -0.055 0.000 0.728 232 K HN 0.417 nan 8.250 nan 0.000 0.452 233 Y N 0.817 120.925 120.300 -0.319 0.000 2.151 233 Y HA -0.327 4.843 4.550 1.033 0.000 0.284 233 Y C 1.798 177.401 175.900 -0.495 0.000 1.166 233 Y CA 1.698 59.533 58.100 -0.441 0.000 1.163 233 Y CB -0.430 37.630 38.460 -0.667 0.000 0.974 233 Y HN 0.030 nan 8.280 nan 0.000 0.511 234 Y N -1.418 118.734 120.300 -0.246 0.000 2.395 234 Y HA -0.105 5.069 4.550 1.039 0.000 0.293 234 Y C 2.469 178.170 175.900 -0.332 0.000 1.123 234 Y CA 1.140 59.054 58.100 -0.309 0.000 1.227 234 Y CB -0.704 37.662 38.460 -0.156 0.000 1.012 234 Y HN -0.026 nan 8.280 nan 0.000 0.552 235 V N 0.484 120.315 119.914 -0.137 0.000 2.427 235 V HA -0.275 4.467 4.120 1.037 0.000 0.248 235 V C 1.829 177.764 176.094 -0.264 0.000 1.051 235 V CA 1.805 64.000 62.300 -0.176 0.000 1.048 235 V CB -0.525 31.223 31.823 -0.125 0.000 0.666 235 V HN 0.464 nan 8.190 nan 0.000 0.456 236 N N 0.601 119.122 118.700 -0.298 0.000 2.084 236 N HA -0.117 5.245 4.740 1.037 0.000 0.190 236 N C 1.830 177.116 175.510 -0.373 0.000 1.030 236 N CA 1.414 54.269 53.050 -0.325 0.000 0.849 236 N CB -0.532 37.762 38.487 -0.322 0.000 1.012 236 N HN 0.386 nan 8.380 nan 0.000 0.423 237 L N 1.359 122.298 121.223 -0.475 0.000 2.042 237 L HA -0.152 4.810 4.340 1.037 0.000 0.210 237 L C 2.003 178.442 176.870 -0.719 0.000 1.076 237 L CA 1.292 55.841 54.840 -0.485 0.000 0.749 237 L CB -0.564 41.212 42.059 -0.472 0.000 0.893 237 L HN 0.228 nan 8.230 nan 0.000 0.432 238 E N 0.251 119.937 120.200 -0.857 0.000 2.265 238 E HA -0.198 4.774 4.350 1.037 0.000 0.196 238 E C 1.202 177.493 176.600 -0.515 0.000 0.996 238 E CA 0.943 56.697 56.400 -1.076 0.000 0.832 238 E CB -0.006 29.332 29.700 -0.603 0.000 0.756 238 E HN 0.605 nan 8.360 nan 0.000 0.491 239 E N 0.362 120.356 120.200 -0.342 0.000 2.465 239 E HA 0.017 4.989 4.350 1.037 0.000 0.195 239 E C -0.358 176.164 176.600 -0.131 0.000 1.028 239 E CA -0.111 56.176 56.400 -0.188 0.000 0.899 239 E CB 0.582 30.174 29.700 -0.180 0.000 1.032 239 E HN 0.063 nan 8.360 nan 0.000 0.468 240 Q N -0.116 119.605 119.800 -0.131 0.000 2.494 240 Q HA -0.212 4.750 4.340 1.037 0.000 0.272 240 Q C -0.010 175.973 176.000 -0.029 0.000 1.145 240 Q CA 0.943 56.723 55.803 -0.039 0.000 0.943 240 Q CB -2.075 26.670 28.738 0.011 0.000 1.338 240 Q HN 0.373 nan 8.270 nan 0.000 0.492 241 K N -0.206 120.130 120.400 -0.106 0.000 2.514 241 K HA 0.271 5.213 4.320 1.037 0.000 0.207 241 K C 0.860 177.449 176.600 -0.018 0.000 1.035 241 K CA 0.366 56.600 56.287 -0.088 0.000 1.113 241 K CB 0.906 33.167 32.500 -0.399 0.000 0.846 241 K HN 0.261 nan 8.250 nan 0.000 0.491 242 G N 1.026 109.804 108.800 -0.038 0.000 2.441 242 G HA2 0.049 4.631 3.960 1.037 0.000 0.243 242 G HA3 0.049 4.631 3.960 1.037 0.000 0.243 242 G C 0.701 175.676 174.900 0.126 0.000 1.281 242 G CA -0.433 44.653 45.100 -0.023 0.000 0.854 242 G HN 0.123 nan 8.290 nan 0.000 0.560 243 L N 3.085 124.414 121.223 0.177 0.000 2.007 243 L HA 0.225 5.187 4.340 1.037 0.000 0.205 243 L C 1.561 178.457 176.870 0.043 0.000 1.073 243 L CA 1.262 56.162 54.840 0.100 0.000 0.744 243 L CB -0.480 41.570 42.059 -0.015 0.000 0.898 243 L HN 0.652 nan 8.230 nan 0.000 0.435 244 I N -3.277 117.370 120.570 0.127 0.000 2.783 244 I HA 0.217 5.009 4.170 1.037 0.000 0.312 244 I C 1.285 177.497 176.117 0.158 0.000 0.988 244 I CA -0.579 60.804 61.300 0.139 0.000 1.182 244 I CB 0.948 39.061 38.000 0.189 0.000 1.368 244 I HN 0.296 nan 8.210 nan 0.000 0.511 245 Q N 2.281 122.185 119.800 0.174 0.000 2.077 245 Q HA -0.223 4.739 4.340 1.037 0.000 0.206 245 Q C 1.979 178.097 176.000 0.197 0.000 0.989 245 Q CA 3.258 59.176 55.803 0.192 0.000 0.853 245 Q CB -0.086 28.849 28.738 0.329 0.000 0.907 245 Q HN 0.956 nan 8.270 nan 0.000 0.418 246 S N 0.086 115.911 115.700 0.209 0.000 2.419 246 S HA -0.170 4.923 4.470 1.037 0.000 0.233 246 S C 1.232 175.956 174.600 0.207 0.000 1.016 246 S CA 1.269 59.588 58.200 0.199 0.000 0.974 246 S CB -0.226 63.077 63.200 0.173 0.000 0.786 246 S HN 0.412 nan 8.310 nan 0.000 0.492 247 D N 1.435 121.983 120.400 0.246 0.000 2.085 247 D HA -0.041 5.221 4.640 1.037 0.000 0.199 247 D C 2.146 178.519 176.300 0.121 0.000 0.981 247 D CA 1.259 55.413 54.000 0.255 0.000 0.834 247 D CB -0.632 40.349 40.800 0.302 0.000 0.992 247 D HN 0.367 nan 8.370 nan 0.000 0.457 248 Q N 0.907 120.764 119.800 0.095 0.000 2.226 248 Q HA -0.129 4.834 4.340 1.037 0.000 0.204 248 Q C 1.688 177.758 176.000 0.117 0.000 0.975 248 Q CA 1.093 56.941 55.803 0.074 0.000 0.866 248 Q CB -0.084 28.682 28.738 0.048 0.000 0.915 248 Q HN 0.194 nan 8.270 nan 0.000 0.440 249 E N -0.138 120.135 120.200 0.122 0.000 2.209 249 E HA -0.158 4.814 4.350 1.037 0.000 0.196 249 E C 1.843 178.506 176.600 0.105 0.000 0.993 249 E CA 0.838 57.308 56.400 0.117 0.000 0.819 249 E CB -0.137 29.645 29.700 0.137 0.000 0.745 249 E HN 0.465 nan 8.360 nan 0.000 0.477 250 L N -0.694 120.604 121.223 0.125 0.000 2.191 250 L HA -0.134 4.828 4.340 1.037 0.000 0.212 250 L C 2.196 179.160 176.870 0.157 0.000 1.103 250 L CA 0.894 55.809 54.840 0.125 0.000 0.769 250 L CB -0.245 41.909 42.059 0.158 0.000 0.908 250 L HN 0.058 nan 8.230 nan 0.000 0.438 251 F N -1.119 118.829 119.950 -0.004 0.000 2.602 251 F HA 0.085 5.232 4.527 1.034 0.000 0.284 251 F C 2.153 177.943 175.800 -0.016 0.000 1.111 251 F CA 0.426 58.413 58.000 -0.021 0.000 1.405 251 F CB 0.392 39.368 39.000 -0.040 0.000 1.121 251 F HN -0.177 nan 8.300 nan 0.000 0.603 252 S N -1.030 114.693 115.700 0.038 0.000 2.512 252 S HA 0.105 5.197 4.470 1.037 0.000 0.216 252 S C 0.716 175.298 174.600 -0.030 0.000 1.006 252 S CA 0.068 58.246 58.200 -0.036 0.000 0.915 252 S CB -0.083 63.153 63.200 0.060 0.000 0.824 252 S HN 0.214 nan 8.310 nan 0.000 0.497 253 S N 2.572 118.272 115.700 0.000 0.000 2.568 253 S HA 0.138 5.230 4.470 1.037 0.000 0.282 253 S C -1.889 172.701 174.600 -0.016 0.000 1.338 253 S CA -1.086 57.124 58.200 0.016 0.000 1.045 253 S CB 0.707 63.930 63.200 0.038 0.000 0.873 253 S HN -0.009 nan 8.310 nan 0.000 0.516 254 P HA -0.016 nan 4.420 nan 0.000 0.225 254 P C 0.681 177.970 177.300 -0.019 0.000 1.148 254 P CA 0.748 63.839 63.100 -0.014 0.000 0.779 254 P CB -0.004 31.697 31.700 0.002 0.000 0.780 255 N N -0.518 118.177 118.700 -0.008 0.000 2.235 255 N HA 0.091 5.453 4.740 1.037 0.000 0.209 255 N C 0.659 176.159 175.510 -0.018 0.000 1.122 255 N CA -0.070 52.975 53.050 -0.008 0.000 0.845 255 N CB 0.158 38.649 38.487 0.007 0.000 1.004 255 N HN -0.068 nan 8.380 nan 0.000 0.499 256 A N -0.141 122.657 122.820 -0.035 0.000 2.327 256 A HA 0.121 5.064 4.320 1.037 0.000 0.228 256 A C 1.629 179.171 177.584 -0.071 0.000 1.275 256 A CA 0.025 52.032 52.037 -0.049 0.000 0.875 256 A CB -0.370 18.590 19.000 -0.067 0.000 0.925 256 A HN 0.200 nan 8.150 nan 0.000 0.493 257 T N 1.324 115.842 114.554 -0.061 0.000 2.759 257 T HA -0.168 4.805 4.350 1.037 0.000 0.269 257 T C 1.666 176.332 174.700 -0.057 0.000 1.042 257 T CA 1.868 63.930 62.100 -0.064 0.000 1.140 257 T CB -0.258 68.581 68.868 -0.047 0.000 0.864 257 T HN 0.876 nan 8.240 nan 0.000 0.455 258 D N 0.912 121.285 120.400 -0.044 0.000 2.271 258 D HA -0.050 5.212 4.640 1.037 0.000 0.206 258 D C 2.073 178.343 176.300 -0.050 0.000 0.967 258 D CA 1.317 55.293 54.000 -0.041 0.000 0.867 258 D CB -0.803 39.982 40.800 -0.026 0.000 0.960 258 D HN 0.531 nan 8.370 nan 0.000 0.509 259 T N -1.339 113.188 114.554 -0.044 0.000 3.035 259 T HA 0.150 5.123 4.350 1.037 0.000 0.259 259 T C 2.333 177.010 174.700 -0.039 0.000 1.078 259 T CA -0.017 62.060 62.100 -0.039 0.000 1.132 259 T CB -0.479 68.387 68.868 -0.002 0.000 0.900 259 T HN 0.082 nan 8.240 nan 0.000 0.480 260 I N 2.682 123.222 120.570 -0.050 0.000 2.163 260 I HA -0.084 4.709 4.170 1.037 0.000 0.243 260 I C -0.239 175.866 176.117 -0.021 0.000 1.085 260 I CA 1.347 62.627 61.300 -0.033 0.000 1.347 260 I CB -1.001 36.893 38.000 -0.178 0.000 1.044 260 I HN 0.237 nan 8.210 nan 0.000 0.408 261 P HA -0.152 nan 4.420 nan 0.000 0.220 261 P C 1.891 179.075 177.300 -0.194 0.000 1.148 261 P CA 1.536 64.579 63.100 -0.094 0.000 0.803 261 P CB 0.007 31.657 31.700 -0.083 0.000 0.782 262 L N -0.896 120.160 121.223 -0.277 0.000 2.072 262 L HA -0.092 4.871 4.340 1.037 0.000 0.205 262 L C 2.782 179.161 176.870 -0.818 0.000 1.079 262 L CA 1.011 55.473 54.840 -0.629 0.000 0.752 262 L CB -1.064 40.681 42.059 -0.524 0.000 0.906 262 L HN -0.189 nan 8.230 nan 0.000 0.436 263 V N 0.029 119.744 119.914 -0.332 0.000 2.287 263 V HA -0.305 4.437 4.120 1.037 0.000 0.248 263 V C 2.644 178.656 176.094 -0.137 0.000 1.053 263 V CA 1.840 64.073 62.300 -0.112 0.000 1.027 263 V CB -0.607 31.328 31.823 0.187 0.000 0.646 263 V HN 0.405 nan 8.190 nan 0.000 0.447 264 R N 0.673 121.128 120.500 -0.074 0.000 2.081 264 R HA -0.148 4.814 4.340 1.037 0.000 0.235 264 R C 2.630 178.876 176.300 -0.089 0.000 1.131 264 R CA 1.753 57.827 56.100 -0.043 0.000 0.960 264 R CB -0.591 29.717 30.300 0.013 0.000 0.856 264 R HN 0.712 nan 8.270 nan 0.000 0.436 265 S N 0.370 115.969 115.700 -0.168 0.000 2.382 265 S HA -0.107 4.985 4.470 1.037 0.000 0.228 265 S C 1.749 176.386 174.600 0.061 0.000 1.027 265 S CA 0.946 59.093 58.200 -0.089 0.000 0.991 265 S CB -0.333 62.787 63.200 -0.134 0.000 0.823 265 S HN 0.137 nan 8.310 nan 0.000 0.469 266 F N 2.292 122.098 119.950 -0.242 0.000 2.367 266 F HA 0.437 5.585 4.527 1.035 0.000 0.298 266 F C 2.754 178.372 175.800 -0.303 0.000 1.094 266 F CA -0.472 57.294 58.000 -0.389 0.000 1.409 266 F CB -1.381 36.970 39.000 -1.083 0.000 1.064 266 F HN 0.360 nan 8.300 nan 0.000 0.528 267 A N 0.150 122.954 122.820 -0.028 0.000 1.970 267 A HA -0.122 4.820 4.320 1.037 0.000 0.216 267 A C 1.978 179.558 177.584 -0.008 0.000 1.170 267 A CA 1.330 53.372 52.037 0.008 0.000 0.645 267 A CB -0.900 18.092 19.000 -0.013 0.000 0.816 267 A HN 0.427 nan 8.150 nan 0.000 0.447 268 N N -0.998 117.699 118.700 -0.005 0.000 2.354 268 N HA 0.009 5.372 4.740 1.037 0.000 0.179 268 N C 0.164 175.673 175.510 -0.002 0.000 1.021 268 N CA 0.717 53.763 53.050 -0.007 0.000 0.887 268 N CB 0.155 38.638 38.487 -0.006 0.000 0.974 268 N HN 0.300 nan 8.380 nan 0.000 0.437 269 S N -0.805 114.906 115.700 0.018 0.000 2.677 269 S HA 0.218 5.311 4.470 1.037 0.000 0.283 269 S C 0.575 175.168 174.600 -0.013 0.000 1.159 269 S CA -0.718 57.482 58.200 0.001 0.000 1.001 269 S CB 1.473 64.683 63.200 0.016 0.000 1.032 269 S HN -0.037 nan 8.310 nan 0.000 0.487 270 T N 3.834 118.326 114.554 -0.102 0.000 2.746 270 T HA -0.156 4.816 4.350 1.037 0.000 0.267 270 T C 1.810 176.316 174.700 -0.323 0.000 1.039 270 T CA 1.833 63.775 62.100 -0.264 0.000 1.142 270 T CB -0.306 68.303 68.868 -0.431 0.000 0.866 270 T HN 0.774 nan 8.240 nan 0.000 0.444 271 Q N 0.288 119.969 119.800 -0.199 0.000 2.061 271 Q HA -0.161 4.802 4.340 1.037 0.000 0.204 271 Q C 2.235 178.217 176.000 -0.030 0.000 0.984 271 Q CA 1.812 57.551 55.803 -0.108 0.000 0.846 271 Q CB -0.266 28.439 28.738 -0.055 0.000 0.902 271 Q HN 0.446 nan 8.270 nan 0.000 0.421 272 T N 0.833 115.394 114.554 0.011 0.000 2.746 272 T HA -0.155 4.818 4.350 1.037 0.000 0.267 272 T C 1.280 175.975 174.700 -0.009 0.000 1.039 272 T CA 1.306 63.448 62.100 0.070 0.000 1.142 272 T CB -0.446 68.523 68.868 0.169 0.000 0.866 272 T HN 0.363 nan 8.240 nan 0.000 0.444 273 F N 1.752 121.561 119.950 -0.235 0.000 2.051 273 F HA -0.010 5.139 4.527 1.036 0.000 0.296 273 F C 1.781 177.504 175.800 -0.128 0.000 1.122 273 F CA 0.679 58.359 58.000 -0.533 0.000 1.201 273 F CB -0.877 37.946 39.000 -0.296 0.000 0.978 273 F HN 0.049 nan 8.300 nan 0.000 0.472 274 F N 1.439 121.086 119.950 -0.506 0.000 2.120 274 F HA -0.245 4.904 4.527 1.037 0.000 0.300 274 F C 2.387 177.965 175.800 -0.371 0.000 1.095 274 F CA 1.507 59.206 58.000 -0.501 0.000 1.249 274 F CB -1.699 37.157 39.000 -0.239 0.000 0.995 274 F HN 0.087 nan 8.300 nan 0.000 0.480 275 N N 0.175 118.838 118.700 -0.062 0.000 2.120 275 N HA -0.134 5.228 4.740 1.037 0.000 0.188 275 N C 2.050 177.457 175.510 -0.172 0.000 1.024 275 N CA 1.537 54.521 53.050 -0.110 0.000 0.852 275 N CB -0.775 37.684 38.487 -0.048 0.000 1.003 275 N HN 0.244 nan 8.380 nan 0.000 0.424 276 A N 0.069 122.777 122.820 -0.187 0.000 1.930 276 A HA -0.084 4.858 4.320 1.037 0.000 0.217 276 A C 2.099 179.569 177.584 -0.190 0.000 1.175 276 A CA 0.766 52.706 52.037 -0.162 0.000 0.627 276 A CB -0.826 18.032 19.000 -0.235 0.000 0.815 276 A HN 0.276 nan 8.150 nan 0.000 0.443 277 F N 0.596 120.270 119.950 -0.460 0.000 2.146 277 F HA -0.128 5.019 4.527 1.034 0.000 0.298 277 F C 2.250 177.750 175.800 -0.499 0.000 1.096 277 F CA 1.814 59.550 58.000 -0.440 0.000 1.275 277 F CB -0.245 38.349 39.000 -0.676 0.000 1.008 277 F HN 0.029 nan 8.300 nan 0.000 0.480 278 V N 0.276 119.799 119.914 -0.652 0.000 2.343 278 V HA -0.302 4.441 4.120 1.037 0.000 0.247 278 V C 2.369 178.061 176.094 -0.669 0.000 1.051 278 V CA 2.240 63.903 62.300 -1.063 0.000 1.036 278 V CB -0.732 30.450 31.823 -1.069 0.000 0.654 278 V HN 0.405 nan 8.190 nan 0.000 0.451 279 E N 0.207 120.166 120.200 -0.402 0.000 2.051 279 E HA -0.226 4.746 4.350 1.037 0.000 0.192 279 E C 2.217 178.703 176.600 -0.190 0.000 0.991 279 E CA 1.451 57.712 56.400 -0.231 0.000 0.799 279 E CB -0.239 29.382 29.700 -0.132 0.000 0.748 279 E HN 0.567 nan 8.360 nan 0.000 0.449 280 A N 0.682 123.376 122.820 -0.210 0.000 1.929 280 A HA -0.135 4.808 4.320 1.037 0.000 0.216 280 A C 2.163 179.633 177.584 -0.190 0.000 1.176 280 A CA 1.196 53.152 52.037 -0.136 0.000 0.628 280 A CB -0.333 18.622 19.000 -0.074 0.000 0.816 280 A HN 0.269 nan 8.150 nan 0.000 0.444 281 M N 0.060 119.422 119.600 -0.395 0.000 2.117 281 M HA -0.139 4.963 4.480 1.037 0.000 0.262 281 M C 1.298 177.576 176.300 -0.036 0.000 1.065 281 M CA 1.518 56.648 55.300 -0.284 0.000 1.114 281 M CB -1.303 31.031 32.600 -0.443 0.000 1.361 281 M HN 0.337 nan 8.290 nan 0.000 0.408 282 D N -0.512 119.851 120.400 -0.061 0.000 2.178 282 D HA -0.079 5.184 4.640 1.037 0.000 0.202 282 D C 2.170 178.481 176.300 0.018 0.000 0.974 282 D CA 0.877 54.901 54.000 0.040 0.000 0.841 282 D CB -0.158 40.654 40.800 0.020 0.000 0.953 282 D HN 0.330 nan 8.370 nan 0.000 0.478 283 R N -0.064 120.426 120.500 -0.018 0.000 2.075 283 R HA 0.016 4.978 4.340 1.037 0.000 0.232 283 R C 2.329 178.629 176.300 0.000 0.000 1.126 283 R CA 0.803 56.899 56.100 -0.007 0.000 0.963 283 R CB -0.221 30.077 30.300 -0.004 0.000 0.858 283 R HN 0.184 nan 8.270 nan 0.000 0.435 284 M N -0.085 119.523 119.600 0.013 0.000 2.175 284 M HA -0.055 5.047 4.480 1.037 0.000 0.264 284 M C 1.810 178.118 176.300 0.014 0.000 1.063 284 M CA 1.997 57.309 55.300 0.020 0.000 1.119 284 M CB -0.109 32.532 32.600 0.069 0.000 1.377 284 M HN 0.240 nan 8.290 nan 0.000 0.415 285 G N -0.125 108.720 108.800 0.076 0.000 2.679 285 G HA2 -0.196 4.386 3.960 1.037 0.000 0.212 285 G HA3 -0.196 4.386 3.960 1.037 0.000 0.212 285 G C 1.050 175.984 174.900 0.057 0.000 1.137 285 G CA 0.587 45.764 45.100 0.128 0.000 0.787 285 G HN 0.674 nan 8.290 nan 0.000 0.534 286 N N -0.195 118.516 118.700 0.017 0.000 2.230 286 N HA 0.169 5.531 4.740 1.037 0.000 0.202 286 N C 0.068 175.556 175.510 -0.036 0.000 1.119 286 N CA -0.377 52.668 53.050 -0.008 0.000 0.851 286 N CB 0.122 38.604 38.487 -0.008 0.000 0.990 286 N HN 0.147 nan 8.380 nan 0.000 0.497 287 I N 2.315 122.853 120.570 -0.053 0.000 2.505 287 I HA -0.074 4.718 4.170 1.037 0.000 0.287 287 I C 0.617 176.681 176.117 -0.089 0.000 1.104 287 I CA 0.052 61.296 61.300 -0.094 0.000 1.387 287 I CB 0.545 38.457 38.000 -0.146 0.000 1.404 287 I HN 0.228 nan 8.210 nan 0.000 0.528 288 T N 4.625 119.125 114.554 -0.090 0.000 3.213 288 T HA -0.126 4.846 4.350 1.037 0.000 0.427 288 T C -1.991 172.666 174.700 -0.071 0.000 0.772 288 T CA -0.697 61.352 62.100 -0.085 0.000 2.150 288 T CB -1.791 67.009 68.868 -0.112 0.000 1.655 288 T HN 0.474 nan 8.240 nan 0.000 0.584 289 P HA 0.506 nan 4.420 nan 0.000 0.281 289 P C 0.233 177.506 177.300 -0.044 0.000 1.249 289 P CA -0.933 62.139 63.100 -0.047 0.000 0.810 289 P CB 1.043 32.713 31.700 -0.050 0.000 1.008 290 L N 2.061 123.263 121.223 -0.035 0.000 2.292 290 L HA 0.450 5.412 4.340 1.037 0.000 0.284 290 L C 1.172 178.017 176.870 -0.043 0.000 1.065 290 L CA -0.003 54.821 54.840 -0.026 0.000 0.806 290 L CB 1.258 43.313 42.059 -0.006 0.000 1.175 290 L HN 0.572 nan 8.230 nan 0.000 0.431 291 T N -1.107 113.424 114.554 -0.038 0.000 2.804 291 T HA 0.762 5.734 4.350 1.037 0.000 0.290 291 T C 0.481 175.172 174.700 -0.015 0.000 1.099 291 T CA -0.049 62.020 62.100 -0.053 0.000 1.011 291 T CB 1.780 70.610 68.868 -0.065 0.000 1.291 291 T HN 0.865 nan 8.240 nan 0.000 0.523 292 G N 1.288 110.091 108.800 0.004 0.000 2.620 292 G HA2 -0.354 4.228 3.960 1.037 0.000 0.315 292 G HA3 -0.354 4.228 3.960 1.037 0.000 0.315 292 G C 0.985 175.913 174.900 0.047 0.000 1.179 292 G CA 1.909 47.033 45.100 0.040 0.000 0.971 292 G HN 2.088 nan 8.290 nan 0.000 0.544 293 T N -0.890 113.684 114.554 0.034 0.000 3.054 293 T HA 0.471 5.443 4.350 1.037 0.000 0.255 293 T C 0.811 175.527 174.700 0.027 0.000 1.035 293 T CA 0.976 63.097 62.100 0.035 0.000 0.941 293 T CB 0.285 69.171 68.868 0.030 0.000 1.026 293 T HN 0.747 nan 8.240 nan 0.000 0.533 294 Q N 1.568 121.380 119.800 0.020 0.000 2.332 294 Q HA 0.500 5.463 4.340 1.037 0.000 0.263 294 Q C 1.086 177.098 176.000 0.020 0.000 0.979 294 Q CA 0.348 56.161 55.803 0.016 0.000 0.885 294 Q CB 0.731 29.473 28.738 0.007 0.000 1.218 294 Q HN 0.582 nan 8.270 nan 0.000 0.405 295 G N 1.829 110.644 108.800 0.024 0.000 2.645 295 G HA2 -0.279 4.304 3.960 1.037 0.000 0.246 295 G HA3 -0.279 4.304 3.960 1.037 0.000 0.246 295 G C -0.731 174.188 174.900 0.033 0.000 1.322 295 G CA -0.228 44.889 45.100 0.028 0.000 0.898 295 G HN 0.647 nan 8.290 nan 0.000 0.573 296 Q N -1.462 118.361 119.800 0.037 0.000 2.683 296 Q HA 0.726 5.688 4.340 1.037 0.000 0.302 296 Q C -0.688 175.344 176.000 0.053 0.000 1.042 296 Q CA -1.166 54.663 55.803 0.044 0.000 0.773 296 Q CB 1.829 30.591 28.738 0.040 0.000 1.508 296 Q HN 0.453 nan 8.270 nan 0.000 0.459 297 I N 1.916 122.522 120.570 0.060 0.000 2.361 297 I HA 0.278 5.070 4.170 1.037 0.000 0.282 297 I C -0.090 176.057 176.117 0.051 0.000 1.075 297 I CA -0.274 61.067 61.300 0.069 0.000 1.205 297 I CB 0.441 38.494 38.000 0.088 0.000 1.406 297 I HN 0.536 nan 8.210 nan 0.000 0.481 298 R N 4.769 125.296 120.500 0.046 0.000 2.522 298 R HA 0.128 5.090 4.340 1.037 0.000 0.284 298 R C 0.838 177.157 176.300 0.032 0.000 1.032 298 R CA 0.015 56.139 56.100 0.038 0.000 1.049 298 R CB 0.815 31.139 30.300 0.040 0.000 0.956 298 R HN 0.583 nan 8.270 nan 0.000 0.422 299 L N 2.315 123.554 121.223 0.027 0.000 2.162 299 L HA 0.015 4.978 4.340 1.037 0.000 0.205 299 L C 0.842 177.722 176.870 0.017 0.000 1.086 299 L CA 0.543 55.395 54.840 0.019 0.000 0.778 299 L CB -0.231 41.838 42.059 0.017 0.000 0.928 299 L HN 0.568 nan 8.230 nan 0.000 0.446 300 N N -0.739 117.973 118.700 0.021 0.000 2.479 300 N HA 0.120 5.482 4.740 1.037 0.000 0.261 300 N C 0.461 175.988 175.510 0.029 0.000 0.979 300 N CA -0.434 52.628 53.050 0.021 0.000 0.930 300 N CB 1.432 39.928 38.487 0.016 0.000 1.172 300 N HN -0.014 nan 8.380 nan 0.000 0.499 301 c N 2.514 121.135 118.600 0.036 0.000 2.409 301 c HA -0.018 5.174 4.570 1.037 0.000 0.288 301 c C 2.119 176.237 174.090 0.046 0.000 1.395 301 c CA 0.500 56.858 56.329 0.048 0.000 1.792 301 c CB -0.899 41.649 42.510 0.063 0.000 1.847 301 c HN 0.696 nan 8.230 nan 0.000 0.534 302 R N 0.295 120.815 120.500 0.032 0.000 2.240 302 R HA 0.105 5.067 4.340 1.037 0.000 0.203 302 R C 0.476 176.791 176.300 0.026 0.000 1.011 302 R CA 0.649 56.758 56.100 0.015 0.000 1.007 302 R CB 0.072 30.369 30.300 -0.005 0.000 0.911 302 R HN 0.568 nan 8.270 nan 0.000 0.468 303 V N -3.460 116.474 119.914 0.033 0.000 2.971 303 V HA 0.446 5.188 4.120 1.037 0.000 0.309 303 V C -0.032 176.093 176.094 0.052 0.000 1.130 303 V CA -1.293 61.033 62.300 0.043 0.000 0.964 303 V CB 2.130 33.962 31.823 0.014 0.000 1.029 303 V HN -0.298 nan 8.190 nan 0.000 0.427 304 V N 3.070 123.029 119.914 0.075 0.000 2.811 304 V HA 0.232 4.974 4.120 1.037 0.000 0.302 304 V C 0.674 176.793 176.094 0.042 0.000 1.063 304 V CA -0.246 62.093 62.300 0.065 0.000 1.088 304 V CB 0.600 32.478 31.823 0.092 0.000 0.982 304 V HN 1.000 nan 8.190 nan 0.000 0.485 305 N N 2.383 121.104 118.700 0.036 0.000 2.454 305 N HA 0.194 5.556 4.740 1.037 0.000 0.254 305 N C 0.083 175.607 175.510 0.023 0.000 1.228 305 N CA 0.062 53.128 53.050 0.027 0.000 0.900 305 N CB 0.891 39.395 38.487 0.027 0.000 1.089 305 N HN 0.930 nan 8.380 nan 0.000 0.449 306 S N 0.000 115.710 115.700 0.016 0.000 2.498 306 S HA 0.000 5.092 4.470 1.037 0.000 0.327 306 S CA 0.000 58.207 58.200 0.012 0.000 1.107 306 S CB 0.000 63.203 63.200 0.005 0.000 0.593 306 S HN 0.000 nan 8.310 nan 0.000 0.517