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 1h5l_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 0.000 175.984 176.000 -0.027 0.000 1.003 1 Q CA 0.000 55.794 55.803 -0.015 0.000 1.022 1 Q CB 0.000 28.737 28.738 -0.001 0.000 1.108 2 L N 1.361 122.557 121.223 -0.045 0.000 2.426 2 L HA 0.563 5.537 4.340 1.056 0.000 0.271 2 L C 0.689 177.544 176.870 -0.024 0.000 1.169 2 L CA 0.160 54.956 54.840 -0.072 0.000 0.836 2 L CB 0.891 42.906 42.059 -0.073 0.000 1.112 2 L HN 0.611 nan 8.230 nan 0.000 0.465 3 T N 2.227 116.773 114.554 -0.012 0.000 2.912 3 T HA 0.398 5.381 4.350 1.056 0.000 0.299 3 T C -2.209 172.514 174.700 0.039 0.000 1.052 3 T CA -1.661 60.457 62.100 0.031 0.000 0.996 3 T CB 2.060 70.964 68.868 0.060 0.000 1.070 3 T HN 0.237 nan 8.240 nan 0.000 0.465 4 P HA -0.006 nan 4.420 nan 0.000 0.222 4 P C 1.190 178.520 177.300 0.050 0.000 1.147 4 P CA 0.996 64.121 63.100 0.041 0.000 0.790 4 P CB 0.033 31.759 31.700 0.043 0.000 0.780 5 T N -5.731 108.851 114.554 0.047 0.000 3.144 5 T HA 0.070 5.053 4.350 1.056 0.000 0.249 5 T C 1.385 176.091 174.700 0.009 0.000 1.089 5 T CA -0.335 61.783 62.100 0.031 0.000 0.989 5 T CB -1.269 67.605 68.868 0.010 0.000 0.992 5 T HN -0.113 nan 8.240 nan 0.000 0.540 6 F N 2.192 122.039 119.950 -0.171 0.000 2.141 6 F HA -0.176 4.985 4.527 1.057 0.000 0.300 6 F C 0.965 176.536 175.800 -0.381 0.000 1.079 6 F CA 1.385 59.181 58.000 -0.340 0.000 1.264 6 F CB -0.229 38.431 39.000 -0.568 0.000 1.011 6 F HN 0.269 nan 8.300 nan 0.000 0.487 7 Y N -0.645 119.692 120.300 0.062 0.000 2.607 7 Y HA 0.156 5.339 4.550 1.055 0.000 0.266 7 Y C 1.465 177.340 175.900 -0.042 0.000 1.178 7 Y CA -0.600 57.488 58.100 -0.020 0.000 1.226 7 Y CB -0.724 37.777 38.460 0.068 0.000 1.144 7 Y HN -0.034 nan 8.280 nan 0.000 0.528 8 D N -0.096 120.336 120.400 0.052 0.000 2.309 8 D HA -0.129 5.144 4.640 1.056 0.000 0.212 8 D C 1.298 177.601 176.300 0.005 0.000 0.968 8 D CA 1.081 55.097 54.000 0.028 0.000 0.882 8 D CB 0.188 40.992 40.800 0.006 0.000 0.918 8 D HN 0.356 nan 8.370 nan 0.000 0.503 9 N N -0.859 117.829 118.700 -0.020 0.000 2.545 9 N HA -0.037 5.336 4.740 1.056 0.000 0.190 9 N C 1.733 177.235 175.510 -0.012 0.000 1.043 9 N CA 0.669 53.703 53.050 -0.027 0.000 0.879 9 N CB 0.108 38.561 38.487 -0.056 0.000 1.210 9 N HN 0.096 nan 8.380 nan 0.000 0.437 10 S N -1.018 114.681 115.700 -0.003 0.000 2.436 10 S HA 0.061 5.164 4.470 1.056 0.000 0.228 10 S C 1.181 175.807 174.600 0.044 0.000 1.014 10 S CA 0.083 58.298 58.200 0.025 0.000 0.950 10 S CB -0.020 63.207 63.200 0.045 0.000 0.784 10 S HN 0.287 nan 8.310 nan 0.000 0.504 11 c N 2.747 121.388 118.600 0.069 0.000 3.079 11 c HA 0.430 5.633 4.570 1.056 0.000 0.246 11 c C -1.972 172.134 174.090 0.027 0.000 1.025 11 c CA -1.144 55.192 56.329 0.012 0.000 1.081 11 c CB 0.836 43.297 42.510 -0.081 0.000 1.757 11 c HN 0.344 nan 8.230 nan 0.000 0.646 12 P HA -0.124 nan 4.420 nan 0.000 0.221 12 P C 0.666 177.968 177.300 0.002 0.000 1.145 12 P CA 1.584 64.697 63.100 0.022 0.000 0.795 12 P CB 0.005 31.711 31.700 0.010 0.000 0.775 13 N N -0.612 118.079 118.700 -0.015 0.000 2.322 13 N HA 0.009 5.382 4.740 1.056 0.000 0.194 13 N C 1.674 177.158 175.510 -0.045 0.000 1.126 13 N CA -0.327 52.707 53.050 -0.027 0.000 0.845 13 N CB 0.079 38.550 38.487 -0.027 0.000 0.976 13 N HN -0.059 nan 8.380 nan 0.000 0.475 14 V N 0.495 120.374 119.914 -0.059 0.000 2.287 14 V HA -0.291 4.462 4.120 1.056 0.000 0.248 14 V C 2.345 178.391 176.094 -0.079 0.000 1.053 14 V CA 2.042 64.284 62.300 -0.096 0.000 1.027 14 V CB -0.373 31.349 31.823 -0.169 0.000 0.646 14 V HN 0.275 nan 8.190 nan 0.000 0.447 15 S N -0.044 115.620 115.700 -0.060 0.000 2.370 15 S HA -0.207 4.897 4.470 1.056 0.000 0.226 15 S C 1.827 176.386 174.600 -0.069 0.000 1.033 15 S CA 1.909 60.066 58.200 -0.072 0.000 1.011 15 S CB -0.589 62.570 63.200 -0.069 0.000 0.852 15 S HN 0.790 nan 8.310 nan 0.000 0.457 16 N N 1.160 119.828 118.700 -0.053 0.000 2.188 16 N HA 0.017 5.390 4.740 1.056 0.000 0.184 16 N C 1.786 177.268 175.510 -0.046 0.000 1.018 16 N CA 1.304 54.327 53.050 -0.046 0.000 0.858 16 N CB -0.377 38.090 38.487 -0.035 0.000 0.989 16 N HN 0.473 nan 8.380 nan 0.000 0.426 17 I N 0.640 121.180 120.570 -0.050 0.000 2.252 17 I HA -0.184 4.619 4.170 1.056 0.000 0.245 17 I C 2.142 178.229 176.117 -0.051 0.000 1.102 17 I CA 0.682 61.953 61.300 -0.047 0.000 1.385 17 I CB -0.212 37.756 38.000 -0.052 0.000 1.064 17 I HN -0.115 nan 8.210 nan 0.000 0.414 18 V N 0.976 120.852 119.914 -0.063 0.000 2.295 18 V HA -0.287 4.466 4.120 1.056 0.000 0.246 18 V C 2.659 178.715 176.094 -0.062 0.000 1.049 18 V CA 2.010 64.269 62.300 -0.067 0.000 1.024 18 V CB -0.777 30.994 31.823 -0.086 0.000 0.648 18 V HN 0.424 nan 8.190 nan 0.000 0.447 19 R N 0.123 120.584 120.500 -0.064 0.000 2.083 19 R HA -0.211 4.763 4.340 1.056 0.000 0.237 19 R C 2.065 178.341 176.300 -0.040 0.000 1.137 19 R CA 2.246 58.312 56.100 -0.057 0.000 0.951 19 R CB -0.444 29.821 30.300 -0.058 0.000 0.851 19 R HN 0.472 nan 8.270 nan 0.000 0.434 20 D N -0.409 119.970 120.400 -0.036 0.000 2.149 20 D HA -0.132 5.142 4.640 1.056 0.000 0.198 20 D C 1.754 178.039 176.300 -0.024 0.000 0.990 20 D CA 1.810 55.794 54.000 -0.026 0.000 0.839 20 D CB -0.369 40.416 40.800 -0.025 0.000 0.948 20 D HN 0.303 nan 8.370 nan 0.000 0.460 21 T N 0.694 115.231 114.554 -0.029 0.000 2.708 21 T HA -0.059 4.925 4.350 1.056 0.000 0.266 21 T C 2.197 176.882 174.700 -0.024 0.000 1.037 21 T CA 0.618 62.703 62.100 -0.025 0.000 1.146 21 T CB -0.143 68.708 68.868 -0.029 0.000 0.865 21 T HN 0.179 nan 8.240 nan 0.000 0.435 22 I N 0.844 121.396 120.570 -0.030 0.000 2.252 22 I HA -0.125 4.678 4.170 1.056 0.000 0.245 22 I C 2.459 178.566 176.117 -0.017 0.000 1.102 22 I CA 0.765 62.049 61.300 -0.027 0.000 1.385 22 I CB -0.529 37.451 38.000 -0.033 0.000 1.064 22 I HN 0.083 nan 8.210 nan 0.000 0.414 23 V N 1.375 121.279 119.914 -0.015 0.000 2.287 23 V HA -0.322 4.432 4.120 1.056 0.000 0.248 23 V C 2.276 178.367 176.094 -0.005 0.000 1.053 23 V CA 2.521 64.817 62.300 -0.007 0.000 1.027 23 V CB -1.002 30.816 31.823 -0.008 0.000 0.646 23 V HN 0.503 nan 8.190 nan 0.000 0.447 24 N N 0.275 118.970 118.700 -0.008 0.000 2.120 24 N HA -0.228 5.145 4.740 1.056 0.000 0.188 24 N C 1.799 177.306 175.510 -0.005 0.000 1.024 24 N CA 1.763 54.809 53.050 -0.006 0.000 0.852 24 N CB -0.182 38.300 38.487 -0.008 0.000 1.003 24 N HN 0.469 nan 8.380 nan 0.000 0.424 25 E N 0.212 120.407 120.200 -0.009 0.000 2.150 25 E HA -0.008 4.975 4.350 1.056 0.000 0.193 25 E C 1.881 178.477 176.600 -0.007 0.000 0.985 25 E CA 0.746 57.140 56.400 -0.009 0.000 0.814 25 E CB -0.372 29.318 29.700 -0.016 0.000 0.752 25 E HN 0.464 nan 8.360 nan 0.000 0.466 26 L N 0.128 121.348 121.223 -0.005 0.000 2.187 26 L HA -0.160 4.813 4.340 1.056 0.000 0.213 26 L C 2.496 179.370 176.870 0.007 0.000 1.100 26 L CA 1.081 55.922 54.840 0.002 0.000 0.765 26 L CB -0.257 41.808 42.059 0.010 0.000 0.904 26 L HN 0.119 nan 8.230 nan 0.000 0.437 27 R N -0.481 120.022 120.500 0.006 0.000 2.075 27 R HA -0.124 4.849 4.340 1.056 0.000 0.232 27 R C 2.456 178.760 176.300 0.007 0.000 1.126 27 R CA 1.788 57.892 56.100 0.008 0.000 0.963 27 R CB -0.295 30.009 30.300 0.006 0.000 0.858 27 R HN 0.470 nan 8.270 nan 0.000 0.435 28 S N -0.640 115.063 115.700 0.004 0.000 2.486 28 S HA -0.022 5.081 4.470 1.056 0.000 0.220 28 S C 0.298 174.899 174.600 0.003 0.000 1.011 28 S CA 0.038 58.240 58.200 0.004 0.000 0.921 28 S CB 0.436 63.638 63.200 0.003 0.000 0.785 28 S HN 0.102 nan 8.310 nan 0.000 0.517 29 D N 1.886 122.286 120.400 -0.001 0.000 2.346 29 D HA 0.350 5.623 4.640 1.056 0.000 0.255 29 D C -2.228 174.067 176.300 -0.009 0.000 1.276 29 D CA -2.134 51.863 54.000 -0.006 0.000 0.941 29 D CB 1.831 42.624 40.800 -0.012 0.000 1.199 29 D HN -0.030 nan 8.370 nan 0.000 0.537 30 P HA -0.087 nan 4.420 nan 0.000 0.234 30 P C 1.064 178.356 177.300 -0.013 0.000 1.167 30 P CA 0.334 63.438 63.100 0.006 0.000 0.763 30 P CB 0.396 32.108 31.700 0.020 0.000 0.835 31 R N -0.479 120.000 120.500 -0.036 0.000 2.280 31 R HA 0.084 5.057 4.340 1.056 0.000 0.195 31 R C 2.032 178.257 176.300 -0.124 0.000 0.935 31 R CA -0.121 55.931 56.100 -0.080 0.000 1.033 31 R CB -0.479 29.789 30.300 -0.052 0.000 0.964 31 R HN -0.036 nan 8.270 nan 0.000 0.489 32 I N 1.403 121.921 120.570 -0.086 0.000 2.335 32 I HA -0.219 4.584 4.170 1.056 0.000 0.251 32 I C 1.973 178.022 176.117 -0.114 0.000 1.129 32 I CA 1.493 62.737 61.300 -0.093 0.000 1.402 32 I CB -0.212 37.753 38.000 -0.059 0.000 1.069 32 I HN 0.238 nan 8.210 nan 0.000 0.424 33 A N 0.228 122.983 122.820 -0.108 0.000 1.902 33 A HA -0.080 4.873 4.320 1.056 0.000 0.217 33 A C 2.512 179.968 177.584 -0.213 0.000 1.181 33 A CA 1.797 53.790 52.037 -0.073 0.000 0.623 33 A CB -1.272 17.764 19.000 0.060 0.000 0.818 33 A HN 0.508 nan 8.150 nan 0.000 0.443 34 A N -0.461 122.007 122.820 -0.587 0.000 1.877 34 A HA -0.071 4.882 4.320 1.056 0.000 0.216 34 A C 2.442 179.827 177.584 -0.333 0.000 1.186 34 A CA 2.083 53.575 52.037 -0.908 0.000 0.620 34 A CB -0.943 17.416 19.000 -1.068 0.000 0.822 34 A HN 0.458 nan 8.150 nan 0.000 0.443 35 S N -0.066 115.491 115.700 -0.239 0.000 2.370 35 S HA -0.140 4.963 4.470 1.056 0.000 0.226 35 S C 1.792 176.305 174.600 -0.144 0.000 1.033 35 S CA 1.594 59.695 58.200 -0.166 0.000 1.011 35 S CB -0.509 62.598 63.200 -0.155 0.000 0.852 35 S HN 0.543 nan 8.310 nan 0.000 0.457 36 I N 0.896 121.396 120.570 -0.117 0.000 2.252 36 I HA -0.147 4.656 4.170 1.056 0.000 0.245 36 I C 2.300 178.421 176.117 0.006 0.000 1.102 36 I CA 0.710 61.965 61.300 -0.074 0.000 1.385 36 I CB -0.307 37.656 38.000 -0.061 0.000 1.064 36 I HN 0.239 nan 8.210 nan 0.000 0.414 37 L N 1.050 122.305 121.223 0.052 0.000 2.046 37 L HA -0.194 4.780 4.340 1.056 0.000 0.208 37 L C 2.590 179.566 176.870 0.177 0.000 1.077 37 L CA 1.795 56.739 54.840 0.172 0.000 0.747 37 L CB -0.691 41.546 42.059 0.296 0.000 0.896 37 L HN 0.086 nan 8.230 nan 0.000 0.432 38 R N -0.698 119.845 120.500 0.073 0.000 2.092 38 R HA -0.114 4.860 4.340 1.056 0.000 0.231 38 R C 2.277 178.542 176.300 -0.057 0.000 1.119 38 R CA 1.536 57.651 56.100 0.025 0.000 0.970 38 R CB -0.285 29.959 30.300 -0.093 0.000 0.864 38 R HN 0.461 nan 8.270 nan 0.000 0.440 39 L N -0.548 120.642 121.223 -0.054 0.000 2.046 39 L HA -0.218 4.756 4.340 1.056 0.000 0.208 39 L C 2.545 179.474 176.870 0.099 0.000 1.077 39 L CA 1.600 56.420 54.840 -0.033 0.000 0.747 39 L CB -0.623 41.380 42.059 -0.093 0.000 0.896 39 L HN 0.346 nan 8.230 nan 0.000 0.432 40 H N -0.205 118.896 119.070 0.052 0.000 2.353 40 H HA -0.252 4.938 4.556 1.057 0.000 0.300 40 H C 1.915 177.345 175.328 0.170 0.000 1.090 40 H CA 1.746 57.852 56.048 0.097 0.000 1.327 40 H CB -0.202 29.616 29.762 0.093 0.000 1.383 40 H HN 0.278 nan 8.280 nan 0.000 0.508 41 F N 0.782 120.699 119.950 -0.055 0.000 2.075 41 F HA -0.180 4.975 4.527 1.046 0.000 0.297 41 F C 2.124 177.935 175.800 0.019 0.000 1.113 41 F CA 2.206 60.142 58.000 -0.107 0.000 1.218 41 F CB -1.128 37.799 39.000 -0.121 0.000 0.984 41 F HN 0.354 nan 8.300 nan 0.000 0.472 42 H N -1.379 117.389 119.070 -0.503 0.000 2.521 42 H HA -0.116 5.070 4.556 1.051 0.000 0.286 42 H C 1.575 176.784 175.328 -0.198 0.000 1.034 42 H CA 0.694 56.427 56.048 -0.524 0.000 1.278 42 H CB 0.009 29.573 29.762 -0.330 0.000 1.386 42 H HN 0.366 nan 8.280 nan 0.000 0.567 43 D N 0.281 120.696 120.400 0.025 0.000 2.110 43 D HA -0.104 5.169 4.640 1.056 0.000 0.202 43 D C 2.160 178.461 176.300 0.001 0.000 0.975 43 D CA 0.758 54.786 54.000 0.045 0.000 0.839 43 D CB -0.464 40.392 40.800 0.094 0.000 0.996 43 D HN 0.218 nan 8.370 nan 0.000 0.464 44 c N -0.082 118.495 118.600 -0.039 0.000 2.422 44 c HA -0.054 5.149 4.570 1.056 0.000 0.279 44 c C 2.316 176.413 174.090 0.011 0.000 1.305 44 c CA 0.153 56.462 56.329 -0.034 0.000 1.757 44 c CB -1.559 40.897 42.510 -0.089 0.000 1.962 44 c HN 0.274 nan 8.230 nan 0.000 0.499 45 F N 0.462 120.287 119.950 -0.208 0.000 2.802 45 F HA 0.147 5.309 4.527 1.059 0.000 0.300 45 F C 0.732 176.410 175.800 -0.204 0.000 1.168 45 F CA 0.655 58.521 58.000 -0.223 0.000 1.433 45 F CB -0.001 38.806 39.000 -0.322 0.000 1.115 45 F HN -0.044 nan 8.300 nan 0.000 0.582 46 V N 0.278 120.158 119.914 -0.056 0.000 2.398 46 V HA 0.233 4.986 4.120 1.056 0.000 0.282 46 V C 0.192 176.167 176.094 -0.199 0.000 1.014 46 V CA -1.000 61.232 62.300 -0.112 0.000 0.838 46 V CB 0.925 32.722 31.823 -0.043 0.000 1.018 46 V HN 0.283 nan 8.190 nan 0.000 0.432 47 N N 3.389 121.893 118.700 -0.326 0.000 2.800 47 N HA -0.152 5.221 4.740 1.056 0.000 0.250 47 N C 0.373 175.744 175.510 -0.232 0.000 1.078 47 N CA 1.983 54.779 53.050 -0.423 0.000 0.804 47 N CB -0.763 37.216 38.487 -0.846 0.000 1.135 47 N HN 1.860 nan 8.380 nan 0.000 0.565 48 G N -1.938 106.759 108.800 -0.171 0.000 2.756 48 G HA2 -0.229 4.364 3.960 1.056 0.000 0.678 48 G HA3 -0.229 4.364 3.960 1.056 0.000 0.678 48 G C 0.007 174.874 174.900 -0.056 0.000 1.349 48 G CA -0.408 44.624 45.100 -0.114 0.000 0.847 48 G HN 0.861 nan 8.290 nan 0.000 0.548 49 c N 1.382 119.965 118.600 -0.028 0.000 2.423 49 c HA 0.479 5.682 4.570 1.056 0.000 0.378 49 c C 0.931 175.046 174.090 0.041 0.000 1.068 49 c CA 0.166 56.510 56.329 0.026 0.000 1.371 49 c CB -1.289 41.269 42.510 0.081 0.000 1.856 49 c HN 0.791 nan 8.230 nan 0.000 0.523 50 D N 0.575 121.002 120.400 0.045 0.000 2.563 50 D HA 0.251 5.524 4.640 1.056 0.000 0.237 50 D C 1.074 177.416 176.300 0.070 0.000 1.282 50 D CA 0.254 54.285 54.000 0.051 0.000 0.816 50 D CB -0.229 40.600 40.800 0.049 0.000 1.066 50 D HN 0.593 nan 8.370 nan 0.000 0.501 51 A N 0.718 123.589 122.820 0.086 0.000 2.847 51 A HA -0.291 4.662 4.320 1.056 0.000 0.263 51 A C 1.883 179.519 177.584 0.086 0.000 1.391 51 A CA 1.436 53.529 52.037 0.094 0.000 0.866 51 A CB -2.601 16.447 19.000 0.080 0.000 1.057 51 A HN 0.775 nan 8.150 nan 0.000 0.673 52 S N -0.578 115.179 115.700 0.094 0.000 2.399 52 S HA -0.090 5.013 4.470 1.056 0.000 0.231 52 S C 1.735 176.374 174.600 0.064 0.000 1.022 52 S CA 1.239 59.487 58.200 0.080 0.000 0.983 52 S CB -0.517 62.811 63.200 0.214 0.000 0.803 52 S HN 1.278 nan 8.310 nan 0.000 0.480 53 I N 0.890 121.523 120.570 0.106 0.000 2.614 53 I HA -0.028 4.776 4.170 1.056 0.000 0.258 53 I C 1.712 177.905 176.117 0.127 0.000 1.189 53 I CA 1.008 62.385 61.300 0.129 0.000 1.462 53 I CB -0.064 38.050 38.000 0.190 0.000 1.092 53 I HN 0.315 nan 8.210 nan 0.000 0.442 54 L N 0.538 121.838 121.223 0.129 0.000 2.395 54 L HA 0.037 5.011 4.340 1.056 0.000 0.218 54 L C 0.803 177.674 176.870 0.001 0.000 1.130 54 L CA 0.024 54.929 54.840 0.107 0.000 0.826 54 L CB -0.353 41.794 42.059 0.147 0.000 0.941 54 L HN 0.136 nan 8.230 nan 0.000 0.451 55 L N 0.531 121.762 121.223 0.014 0.000 2.416 55 L HA 0.072 5.046 4.340 1.056 0.000 0.272 55 L C 0.111 176.991 176.870 0.016 0.000 1.161 55 L CA -0.021 54.844 54.840 0.042 0.000 0.845 55 L CB 0.333 42.448 42.059 0.094 0.000 1.119 55 L HN 0.042 nan 8.230 nan 0.000 0.464 56 D N 1.337 121.741 120.400 0.006 0.000 2.432 56 D HA 0.156 5.430 4.640 1.056 0.000 0.258 56 D C 0.075 176.365 176.300 -0.017 0.000 1.146 56 D CA -0.484 53.489 54.000 -0.045 0.000 1.015 56 D CB 0.614 41.369 40.800 -0.076 0.000 1.107 56 D HN 0.372 nan 8.370 nan 0.000 0.529 57 N N -0.070 118.588 118.700 -0.071 0.000 2.395 57 N HA 0.049 5.422 4.740 1.056 0.000 0.246 57 N C -0.028 175.326 175.510 -0.260 0.000 1.246 57 N CA 0.615 53.588 53.050 -0.129 0.000 0.879 57 N CB 0.477 38.901 38.487 -0.106 0.000 1.098 57 N HN 0.422 nan 8.380 nan 0.000 0.444 58 T N -3.500 110.789 114.554 -0.442 0.000 2.841 58 T HA 0.290 5.274 4.350 1.056 0.000 0.296 58 T C 1.081 175.555 174.700 -0.377 0.000 1.166 58 T CA -0.549 61.251 62.100 -0.500 0.000 1.007 58 T CB 0.922 69.260 68.868 -0.883 0.000 1.253 58 T HN 0.421 nan 8.240 nan 0.000 0.511 59 T N -1.199 113.193 114.554 -0.270 0.000 3.072 59 T HA 0.010 4.993 4.350 1.056 0.000 0.266 59 T C 1.834 176.438 174.700 -0.161 0.000 1.127 59 T CA 1.171 63.166 62.100 -0.175 0.000 1.107 59 T CB -0.617 68.180 68.868 -0.119 0.000 0.910 59 T HN 0.803 nan 8.240 nan 0.000 0.513 60 S N 0.674 116.232 115.700 -0.237 0.000 2.483 60 S HA 0.352 5.455 4.470 1.056 0.000 0.221 60 S C 0.235 174.818 174.600 -0.028 0.000 1.030 60 S CA -0.800 57.327 58.200 -0.122 0.000 0.925 60 S CB -0.434 62.719 63.200 -0.078 0.000 0.795 60 S HN 0.694 nan 8.310 nan 0.000 0.511 61 F N 0.310 120.213 119.950 -0.078 0.000 2.591 61 F HA 0.821 5.981 4.527 1.054 0.000 0.309 61 F C -0.635 175.109 175.800 -0.093 0.000 1.098 61 F CA -1.631 56.310 58.000 -0.098 0.000 0.937 61 F CB 0.902 39.811 39.000 -0.152 0.000 1.250 61 F HN -0.296 nan 8.300 nan 0.000 0.447 62 R N 1.060 121.678 120.500 0.197 0.000 2.531 62 R HA 0.372 5.345 4.340 1.056 0.000 0.273 62 R C -0.050 176.349 176.300 0.166 0.000 1.070 62 R CA -0.577 55.585 56.100 0.103 0.000 1.112 62 R CB 1.258 31.579 30.300 0.034 0.000 1.049 62 R HN 0.933 nan 8.270 nan 0.000 0.508 63 T N 0.080 114.681 114.554 0.078 0.000 2.910 63 T HA 0.067 5.050 4.350 1.056 0.000 0.293 63 T C 0.975 175.677 174.700 0.002 0.000 1.015 63 T CA -0.258 61.873 62.100 0.051 0.000 1.094 63 T CB 0.493 69.352 68.868 -0.016 0.000 0.968 63 T HN 0.469 nan 8.240 nan 0.000 0.521 64 E N 2.047 122.247 120.200 0.000 0.000 2.418 64 E HA -0.049 4.935 4.350 1.056 0.000 0.197 64 E C 1.791 178.392 176.600 0.000 0.000 1.026 64 E CA 0.582 56.985 56.400 0.005 0.000 0.862 64 E CB 0.166 29.888 29.700 0.036 0.000 0.799 64 E HN 0.636 nan 8.360 nan 0.000 0.518 65 K N 0.637 121.019 120.400 -0.030 0.000 2.362 65 K HA -0.094 4.859 4.320 1.056 0.000 0.200 65 K C 0.719 177.309 176.600 -0.017 0.000 1.046 65 K CA 0.720 56.990 56.287 -0.029 0.000 0.952 65 K CB 0.204 32.604 32.500 -0.167 0.000 0.753 65 K HN 0.032 nan 8.250 nan 0.000 0.466 66 D N 0.499 120.867 120.400 -0.052 0.000 2.342 66 D HA 0.097 5.370 4.640 1.056 0.000 0.221 66 D C -0.073 176.117 176.300 -0.183 0.000 1.101 66 D CA 0.082 54.027 54.000 -0.090 0.000 0.837 66 D CB 0.317 41.061 40.800 -0.094 0.000 0.938 66 D HN 0.124 nan 8.370 nan 0.000 0.508 67 A N -0.236 122.504 122.820 -0.135 0.000 2.386 67 A HA 0.222 5.175 4.320 1.056 0.000 0.248 67 A C 0.773 178.260 177.584 -0.161 0.000 1.082 67 A CA -0.328 51.593 52.037 -0.194 0.000 0.789 67 A CB 0.145 19.105 19.000 -0.067 0.000 1.025 67 A HN 0.004 nan 8.150 nan 0.000 0.490 68 F N 1.309 121.302 119.950 0.072 0.000 2.250 68 F HA -0.040 5.145 4.527 1.097 0.000 0.301 68 F C 2.359 178.223 175.800 0.106 0.000 1.077 68 F CA 1.835 59.899 58.000 0.106 0.000 1.348 68 F CB -0.491 38.584 39.000 0.126 0.000 1.040 68 F HN 0.622 nan 8.300 nan 0.000 0.509 69 G N -1.212 107.697 108.800 0.181 0.000 2.880 69 G HA2 -0.086 4.507 3.960 1.056 0.000 0.209 69 G HA3 -0.086 4.507 3.960 1.056 0.000 0.209 69 G C 1.459 176.466 174.900 0.178 0.000 1.157 69 G CA 0.292 45.448 45.100 0.093 0.000 0.779 69 G HN 0.232 nan 8.290 nan 0.000 0.539 70 N N 0.407 119.200 118.700 0.156 0.000 2.516 70 N HA 0.140 5.513 4.740 1.056 0.000 0.197 70 N C 1.205 176.827 175.510 0.187 0.000 1.064 70 N CA 0.283 53.459 53.050 0.210 0.000 0.866 70 N CB 0.140 38.742 38.487 0.192 0.000 1.255 70 N HN 0.176 nan 8.380 nan 0.000 0.447 71 A N 1.865 124.764 122.820 0.132 0.000 2.566 71 A HA 0.047 5.001 4.320 1.056 0.000 0.245 71 A C 0.790 178.467 177.584 0.154 0.000 1.056 71 A CA 0.229 52.334 52.037 0.113 0.000 0.757 71 A CB -0.521 18.515 19.000 0.060 0.000 0.979 71 A HN 0.485 nan 8.150 nan 0.000 0.508 72 N N 0.504 119.285 118.700 0.135 0.000 2.721 72 N HA -0.191 5.182 4.740 1.056 0.000 0.249 72 N C 0.354 175.963 175.510 0.164 0.000 1.072 72 N CA 1.695 54.823 53.050 0.131 0.000 0.710 72 N CB -1.020 37.533 38.487 0.109 0.000 0.993 72 N HN 0.777 nan 8.380 nan 0.000 0.547 73 S N -2.226 113.583 115.700 0.181 0.000 4.193 73 S HA 0.530 5.634 4.470 1.056 0.000 0.211 73 S C 0.051 174.734 174.600 0.138 0.000 1.162 73 S CA 0.455 58.770 58.200 0.190 0.000 1.039 73 S CB -0.433 62.917 63.200 0.250 0.000 1.371 73 S HN 0.678 nan 8.310 nan 0.000 0.550 74 A N 3.237 126.153 122.820 0.160 0.000 2.498 74 A HA 0.575 5.529 4.320 1.056 0.000 0.239 74 A C 0.321 177.926 177.584 0.034 0.000 1.068 74 A CA 0.082 52.171 52.037 0.087 0.000 0.766 74 A CB -0.139 19.000 19.000 0.231 0.000 1.003 74 A HN 0.726 nan 8.150 nan 0.000 0.497 75 R N 0.456 120.827 120.500 -0.214 0.000 2.766 75 R HA 0.720 5.694 4.340 1.056 0.000 0.270 75 R C 0.399 176.429 176.300 -0.449 0.000 1.035 75 R CA -0.403 55.555 56.100 -0.237 0.000 0.911 75 R CB 0.612 30.872 30.300 -0.066 0.000 1.243 75 R HN 2.012 nan 8.270 nan 0.000 0.460 76 G N -0.252 108.376 108.800 -0.287 0.000 2.176 76 G HA2 -0.255 4.338 3.960 1.056 0.000 0.232 76 G HA3 -0.255 4.338 3.960 1.056 0.000 0.232 76 G C 0.193 174.968 174.900 -0.209 0.000 0.986 76 G CA 0.209 45.169 45.100 -0.234 0.000 0.643 76 G HN 0.449 nan 8.290 nan 0.000 0.522 77 F N 1.387 121.345 119.950 0.013 0.000 2.120 77 F HA 0.042 5.198 4.527 1.049 0.000 0.300 77 F C 0.658 176.463 175.800 0.009 0.000 1.095 77 F CA 1.989 59.998 58.000 0.014 0.000 1.249 77 F CB -1.498 37.514 39.000 0.019 0.000 0.995 77 F HN 0.249 nan 8.300 nan 0.000 0.480 78 P HA -0.106 nan 4.420 nan 0.000 0.218 78 P C 1.922 179.254 177.300 0.053 0.000 1.149 78 P CA 1.179 64.337 63.100 0.096 0.000 0.817 78 P CB 0.014 31.758 31.700 0.073 0.000 0.785 79 V N -0.149 119.781 119.914 0.026 0.000 2.407 79 V HA -0.207 4.547 4.120 1.056 0.000 0.248 79 V C 2.275 178.371 176.094 0.004 0.000 1.055 79 V CA 1.460 63.761 62.300 0.001 0.000 1.049 79 V CB -1.050 30.758 31.823 -0.026 0.000 0.662 79 V HN 0.057 nan 8.190 nan 0.000 0.455 80 I N 0.192 120.772 120.570 0.017 0.000 2.315 80 I HA -0.169 4.634 4.170 1.056 0.000 0.248 80 I C 2.293 178.431 176.117 0.035 0.000 1.117 80 I CA 1.483 62.798 61.300 0.025 0.000 1.404 80 I CB -1.279 36.756 38.000 0.058 0.000 1.071 80 I HN 0.344 nan 8.210 nan 0.000 0.419 81 D N 0.500 120.933 120.400 0.054 0.000 2.123 81 D HA -0.203 5.070 4.640 1.056 0.000 0.196 81 D C 2.273 178.585 176.300 0.021 0.000 0.992 81 D CA 1.017 55.043 54.000 0.043 0.000 0.833 81 D CB -0.175 40.656 40.800 0.051 0.000 0.954 81 D HN 0.303 nan 8.370 nan 0.000 0.455 82 R N 0.546 121.055 120.500 0.016 0.000 2.070 82 R HA -0.120 4.853 4.340 1.056 0.000 0.233 82 R C 2.598 178.894 176.300 -0.006 0.000 1.137 82 R CA 1.622 57.725 56.100 0.004 0.000 0.945 82 R CB -0.166 30.135 30.300 0.002 0.000 0.845 82 R HN 0.224 nan 8.270 nan 0.000 0.430 83 M N -0.196 119.398 119.600 -0.011 0.000 2.159 83 M HA -0.061 5.052 4.480 1.056 0.000 0.263 83 M C 2.030 178.314 176.300 -0.026 0.000 1.063 83 M CA 1.762 57.047 55.300 -0.024 0.000 1.110 83 M CB -0.323 32.257 32.600 -0.032 0.000 1.374 83 M HN -0.131 nan 8.290 nan 0.000 0.411 84 K N 1.541 121.932 120.400 -0.015 0.000 2.026 84 K HA -0.002 4.951 4.320 1.056 0.000 0.208 84 K C 2.051 178.640 176.600 -0.018 0.000 1.048 84 K CA 2.109 58.386 56.287 -0.017 0.000 0.929 84 K CB -0.760 31.741 32.500 0.001 0.000 0.713 84 K HN 0.433 nan 8.250 nan 0.000 0.439 85 A N 0.516 123.331 122.820 -0.010 0.000 1.902 85 A HA -0.037 4.916 4.320 1.056 0.000 0.217 85 A C 2.390 179.964 177.584 -0.016 0.000 1.181 85 A CA 2.072 54.103 52.037 -0.009 0.000 0.623 85 A CB -1.080 17.918 19.000 -0.004 0.000 0.818 85 A HN 0.455 nan 8.150 nan 0.000 0.443 86 A N -0.699 122.109 122.820 -0.020 0.000 1.930 86 A HA 0.036 4.989 4.320 1.056 0.000 0.217 86 A C 2.194 179.758 177.584 -0.034 0.000 1.175 86 A CA 1.727 53.749 52.037 -0.025 0.000 0.627 86 A CB -0.772 18.213 19.000 -0.026 0.000 0.815 86 A HN 0.383 nan 8.150 nan 0.000 0.443 87 V N 0.057 119.944 119.914 -0.045 0.000 2.453 87 V HA -0.147 4.606 4.120 1.056 0.000 0.247 87 V C 2.469 178.530 176.094 -0.055 0.000 1.048 87 V CA 1.824 64.086 62.300 -0.064 0.000 1.049 87 V CB -0.615 31.154 31.823 -0.090 0.000 0.672 87 V HN 0.470 nan 8.190 nan 0.000 0.457 88 E N -0.040 120.136 120.200 -0.040 0.000 2.153 88 E HA -0.166 4.817 4.350 1.056 0.000 0.194 88 E C 2.488 179.074 176.600 -0.023 0.000 0.988 88 E CA 1.480 57.863 56.400 -0.028 0.000 0.811 88 E CB -0.322 29.368 29.700 -0.017 0.000 0.746 88 E HN 0.547 nan 8.360 nan 0.000 0.466 89 S N 0.144 115.831 115.700 -0.022 0.000 2.368 89 S HA -0.068 5.036 4.470 1.056 0.000 0.224 89 S C 2.009 176.596 174.600 -0.020 0.000 1.029 89 S CA 1.205 59.395 58.200 -0.018 0.000 0.988 89 S CB 0.021 63.212 63.200 -0.016 0.000 0.838 89 S HN 0.282 nan 8.310 nan 0.000 0.462 90 A N -0.401 122.403 122.820 -0.027 0.000 1.929 90 A HA 0.141 5.094 4.320 1.056 0.000 0.216 90 A C 1.118 178.685 177.584 -0.029 0.000 1.176 90 A CA 1.008 53.028 52.037 -0.029 0.000 0.628 90 A CB -0.406 18.572 19.000 -0.036 0.000 0.816 90 A HN 0.624 nan 8.150 nan 0.000 0.444 91 c N -0.083 118.495 118.600 -0.037 0.000 3.287 91 c HA 0.412 5.615 4.570 1.056 0.000 0.260 91 c C -2.905 171.169 174.090 -0.027 0.000 1.133 91 c CA -1.629 54.680 56.329 -0.034 0.000 1.402 91 c CB 0.234 42.712 42.510 -0.053 0.000 1.832 91 c HN 0.241 nan 8.230 nan 0.000 0.509 92 P HA 0.069 nan 4.420 nan 0.000 0.264 92 P C 0.352 177.655 177.300 0.004 0.000 1.183 92 P CA 0.743 63.840 63.100 -0.006 0.000 0.763 92 P CB 0.273 31.971 31.700 -0.002 0.000 0.807 93 R N 0.553 121.058 120.500 0.008 0.000 3.387 93 R HA -0.191 4.782 4.340 1.056 0.000 0.254 93 R C 0.419 176.747 176.300 0.046 0.000 1.006 93 R CA 0.960 57.075 56.100 0.025 0.000 0.677 93 R CB -2.668 27.648 30.300 0.027 0.000 1.063 93 R HN 0.535 nan 8.270 nan 0.000 0.453 94 T N -1.543 113.032 114.554 0.035 0.000 3.138 94 T HA 0.129 5.112 4.350 1.056 0.000 0.245 94 T C 0.680 175.451 174.700 0.117 0.000 0.982 94 T CA 0.378 62.527 62.100 0.083 0.000 1.134 94 T CB 0.630 69.522 68.868 0.040 0.000 1.032 94 T HN 0.045 nan 8.240 nan 0.000 0.442 95 V N 4.283 124.145 119.914 -0.087 0.000 2.406 95 V HA 0.440 5.193 4.120 1.056 0.000 0.272 95 V C 0.479 176.565 176.094 -0.012 0.000 1.043 95 V CA -1.065 61.105 62.300 -0.218 0.000 0.915 95 V CB 0.960 32.486 31.823 -0.495 0.000 0.988 95 V HN 0.576 nan 8.190 nan 0.000 0.466 96 S N 3.325 119.092 115.700 0.112 0.000 2.593 96 S HA 0.063 5.166 4.470 1.056 0.000 0.269 96 S C 1.195 175.822 174.600 0.045 0.000 1.334 96 S CA -0.457 57.793 58.200 0.084 0.000 1.015 96 S CB 0.857 64.116 63.200 0.100 0.000 0.912 96 S HN 0.727 nan 8.310 nan 0.000 0.541 97 c N 1.397 120.023 118.600 0.043 0.000 2.435 97 c HA 0.053 5.257 4.570 1.056 0.000 0.279 97 c C 3.108 177.230 174.090 0.053 0.000 1.321 97 c CA 0.833 57.187 56.329 0.041 0.000 1.752 97 c CB -2.081 40.460 42.510 0.052 0.000 1.959 97 c HN 1.011 nan 8.230 nan 0.000 0.500 98 A N 0.827 123.683 122.820 0.061 0.000 1.877 98 A HA -0.212 4.742 4.320 1.056 0.000 0.216 98 A C 1.816 179.439 177.584 0.065 0.000 1.186 98 A CA 2.206 54.287 52.037 0.073 0.000 0.620 98 A CB -0.563 18.472 19.000 0.058 0.000 0.822 98 A HN 0.503 nan 8.150 nan 0.000 0.443 99 D N -0.694 119.742 120.400 0.059 0.000 2.123 99 D HA -0.081 5.193 4.640 1.056 0.000 0.200 99 D C 1.855 178.164 176.300 0.015 0.000 0.976 99 D CA 0.959 54.999 54.000 0.067 0.000 0.831 99 D CB -0.352 40.571 40.800 0.205 0.000 0.974 99 D HN 0.303 nan 8.370 nan 0.000 0.469 100 L N 0.543 121.764 121.223 -0.004 0.000 2.012 100 L HA -0.150 4.824 4.340 1.056 0.000 0.210 100 L C 2.079 178.916 176.870 -0.055 0.000 1.073 100 L CA 1.324 56.138 54.840 -0.044 0.000 0.748 100 L CB -0.550 41.486 42.059 -0.037 0.000 0.891 100 L HN 0.035 nan 8.230 nan 0.000 0.431 101 L N -1.267 119.942 121.223 -0.023 0.000 2.093 101 L HA -0.141 4.833 4.340 1.056 0.000 0.208 101 L C 2.287 179.052 176.870 -0.175 0.000 1.085 101 L CA 2.249 57.072 54.840 -0.029 0.000 0.755 101 L CB -1.008 41.097 42.059 0.076 0.000 0.904 101 L HN 0.325 nan 8.230 nan 0.000 0.435 102 T N -0.162 114.249 114.554 -0.238 0.000 2.777 102 T HA -0.122 4.862 4.350 1.056 0.000 0.266 102 T C 1.981 176.444 174.700 -0.395 0.000 1.040 102 T CA 1.951 63.719 62.100 -0.553 0.000 1.141 102 T CB -0.267 68.455 68.868 -0.244 0.000 0.868 102 T HN 0.316 nan 8.240 nan 0.000 0.444 103 I N 1.408 121.838 120.570 -0.233 0.000 2.252 103 I HA -0.150 4.653 4.170 1.056 0.000 0.245 103 I C 2.960 178.943 176.117 -0.224 0.000 1.102 103 I CA 1.021 62.187 61.300 -0.224 0.000 1.385 103 I CB -0.525 37.389 38.000 -0.142 0.000 1.064 103 I HN 0.185 nan 8.210 nan 0.000 0.414 104 A N 0.918 123.634 122.820 -0.173 0.000 1.908 104 A HA -0.201 4.752 4.320 1.056 0.000 0.218 104 A C 2.554 180.056 177.584 -0.137 0.000 1.181 104 A CA 2.010 53.967 52.037 -0.133 0.000 0.627 104 A CB -0.819 18.127 19.000 -0.091 0.000 0.818 104 A HN 0.443 nan 8.150 nan 0.000 0.445 105 A N -1.049 121.668 122.820 -0.172 0.000 1.877 105 A HA -0.211 4.742 4.320 1.056 0.000 0.216 105 A C 2.231 179.741 177.584 -0.124 0.000 1.186 105 A CA 1.817 53.793 52.037 -0.101 0.000 0.620 105 A CB -0.544 18.381 19.000 -0.125 0.000 0.822 105 A HN 0.572 nan 8.150 nan 0.000 0.443 106 Q N -0.702 118.925 119.800 -0.289 0.000 2.050 106 Q HA -0.219 4.755 4.340 1.056 0.000 0.202 106 Q C 2.056 177.810 176.000 -0.410 0.000 0.980 106 Q CA 1.825 57.308 55.803 -0.533 0.000 0.840 106 Q CB -0.345 27.815 28.738 -0.963 0.000 0.898 106 Q HN 0.646 nan 8.270 nan 0.000 0.424 107 Q N 0.073 119.691 119.800 -0.303 0.000 2.124 107 Q HA -0.069 4.904 4.340 1.056 0.000 0.202 107 Q C 2.230 178.153 176.000 -0.129 0.000 0.977 107 Q CA 1.400 57.080 55.803 -0.206 0.000 0.850 107 Q CB -0.265 28.378 28.738 -0.158 0.000 0.901 107 Q HN 0.304 nan 8.270 nan 0.000 0.429 108 S N 0.334 115.979 115.700 -0.091 0.000 2.368 108 S HA -0.098 5.005 4.470 1.056 0.000 0.225 108 S C 2.190 176.799 174.600 0.015 0.000 1.030 108 S CA 1.110 59.306 58.200 -0.006 0.000 0.999 108 S CB -0.207 63.013 63.200 0.034 0.000 0.844 108 S HN 0.146 nan 8.310 nan 0.000 0.459 109 V N 1.704 121.563 119.914 -0.091 0.000 2.295 109 V HA -0.189 4.564 4.120 1.056 0.000 0.246 109 V C 2.515 178.404 176.094 -0.342 0.000 1.049 109 V CA 2.148 64.226 62.300 -0.370 0.000 1.024 109 V CB -1.289 30.235 31.823 -0.499 0.000 0.648 109 V HN 0.517 nan 8.190 nan 0.000 0.447 110 T N 0.251 114.677 114.554 -0.213 0.000 2.777 110 T HA -0.105 4.878 4.350 1.056 0.000 0.266 110 T C 1.896 176.558 174.700 -0.064 0.000 1.040 110 T CA 1.367 63.383 62.100 -0.139 0.000 1.141 110 T CB -0.300 68.495 68.868 -0.122 0.000 0.868 110 T HN 0.283 nan 8.240 nan 0.000 0.444 111 L N 0.716 121.915 121.223 -0.041 0.000 2.191 111 L HA -0.049 4.924 4.340 1.056 0.000 0.212 111 L C 2.641 179.543 176.870 0.054 0.000 1.103 111 L CA 0.938 55.782 54.840 0.007 0.000 0.769 111 L CB -0.463 41.601 42.059 0.009 0.000 0.908 111 L HN 0.243 nan 8.230 nan 0.000 0.438 112 A N -0.840 122.030 122.820 0.083 0.000 2.238 112 A HA 0.330 5.283 4.320 1.056 0.000 0.208 112 A C 1.625 179.290 177.584 0.135 0.000 1.177 112 A CA 0.727 52.864 52.037 0.167 0.000 0.804 112 A CB -0.282 18.923 19.000 0.342 0.000 0.823 112 A HN 0.519 nan 8.150 nan 0.000 0.482 113 G N -2.224 106.624 108.800 0.081 0.000 2.163 113 G HA2 -0.016 4.578 3.960 1.056 0.000 0.213 113 G HA3 -0.016 4.578 3.960 1.056 0.000 0.213 113 G C 0.723 175.710 174.900 0.144 0.000 0.991 113 G CA 0.164 45.338 45.100 0.122 0.000 0.653 113 G HN 1.259 nan 8.290 nan 0.000 0.518 114 G N 0.229 108.987 108.800 -0.069 0.000 2.535 114 G HA2 0.709 5.302 3.960 1.056 0.000 0.282 114 G HA3 0.709 5.302 3.960 1.056 0.000 0.282 114 G C -1.594 173.021 174.900 -0.474 0.000 1.350 114 G CA -0.424 44.405 45.100 -0.453 0.000 1.039 114 G HN 0.283 nan 8.290 nan 0.000 0.509 115 P HA 0.174 nan 4.420 nan 0.000 0.272 115 P C -0.564 176.786 177.300 0.083 0.000 1.230 115 P CA 0.009 62.951 63.100 -0.264 0.000 0.788 115 P CB 1.397 32.869 31.700 -0.380 0.000 0.949 116 S N 1.485 117.294 115.700 0.181 0.000 2.519 116 S HA 0.745 5.848 4.470 1.056 0.000 0.309 116 S C -1.447 173.350 174.600 0.329 0.000 1.100 116 S CA -0.598 57.710 58.200 0.180 0.000 1.059 116 S CB 0.052 63.287 63.200 0.058 0.000 1.008 116 S HN 0.622 nan 8.310 nan 0.000 0.478 117 W N 3.447 124.702 121.300 -0.076 0.000 3.066 117 W HA 0.616 5.908 4.660 1.053 0.000 0.330 117 W C -1.764 174.726 176.519 -0.048 0.000 1.253 117 W CA -1.100 56.212 57.345 -0.055 0.000 1.187 117 W CB 0.611 30.035 29.460 -0.062 0.000 1.434 117 W HN 0.488 nan 8.180 nan 0.000 0.572 118 R N 2.691 123.178 120.500 -0.022 0.000 2.207 118 R HA 0.447 5.421 4.340 1.056 0.000 0.334 118 R C 0.111 176.362 176.300 -0.081 0.000 1.013 118 R CA -0.801 55.219 56.100 -0.134 0.000 0.858 118 R CB 1.413 31.703 30.300 -0.016 0.000 1.094 118 R HN 0.538 nan 8.270 nan 0.000 0.457 119 V N 1.476 121.242 119.914 -0.247 0.000 2.775 119 V HA 0.335 5.089 4.120 1.056 0.000 0.299 119 V C -2.235 173.866 176.094 0.013 0.000 1.062 119 V CA -2.177 60.089 62.300 -0.057 0.000 1.063 119 V CB 0.599 32.335 31.823 -0.145 0.000 0.994 119 V HN 0.539 nan 8.190 nan 0.000 0.483 120 P HA 0.430 nan 4.420 nan 0.000 0.268 120 P C -0.687 176.602 177.300 -0.020 0.000 1.205 120 P CA 0.118 63.232 63.100 0.023 0.000 0.771 120 P CB 0.523 32.240 31.700 0.029 0.000 0.858 121 L N 1.085 122.269 121.223 -0.065 0.000 2.303 121 L HA 0.762 5.736 4.340 1.056 0.000 0.256 121 L C 1.052 177.625 176.870 -0.495 0.000 1.034 121 L CA -0.547 54.191 54.840 -0.170 0.000 0.832 121 L CB 2.000 44.020 42.059 -0.064 0.000 1.403 121 L HN 0.627 nan 8.230 nan 0.000 0.419 122 G N 0.233 108.511 108.800 -0.870 0.000 2.234 122 G HA2 -0.129 4.464 3.960 1.056 0.000 0.153 122 G HA3 -0.129 4.464 3.960 1.056 0.000 0.153 122 G C 0.029 174.530 174.900 -0.665 0.000 1.013 122 G CA -0.686 43.524 45.100 -1.483 0.000 0.712 122 G HN 0.448 nan 8.290 nan 0.000 0.491 123 R N 0.238 120.531 120.500 -0.346 0.000 2.641 123 R HA 0.689 5.663 4.340 1.056 0.000 0.269 123 R C 0.540 176.782 176.300 -0.098 0.000 1.074 123 R CA 0.083 56.088 56.100 -0.158 0.000 1.133 123 R CB 0.633 30.897 30.300 -0.061 0.000 1.029 123 R HN 0.255 nan 8.270 nan 0.000 0.488 124 R N 0.282 120.754 120.500 -0.046 0.000 2.919 124 R HA 0.269 5.243 4.340 1.056 0.000 0.260 124 R C -0.996 175.316 176.300 0.020 0.000 1.067 124 R CA -0.998 55.102 56.100 -0.000 0.000 1.003 124 R CB 1.313 31.616 30.300 0.004 0.000 1.192 124 R HN 0.518 nan 8.270 nan 0.000 0.488 125 D N 0.931 121.352 120.400 0.035 0.000 2.256 125 D HA 0.085 5.359 4.640 1.056 0.000 0.250 125 D C 0.086 176.408 176.300 0.036 0.000 1.093 125 D CA -0.039 53.985 54.000 0.040 0.000 0.882 125 D CB 1.522 42.348 40.800 0.043 0.000 1.185 125 D HN 0.485 nan 8.370 nan 0.000 0.437 126 S N 1.085 116.810 115.700 0.042 0.000 2.576 126 S HA 0.108 5.211 4.470 1.056 0.000 0.272 126 S C 0.994 175.590 174.600 -0.006 0.000 1.352 126 S CA -0.423 57.802 58.200 0.042 0.000 1.021 126 S CB 0.619 63.872 63.200 0.089 0.000 0.887 126 S HN 0.452 nan 8.310 nan 0.000 0.542 127 L N 1.027 122.232 121.223 -0.030 0.000 2.667 127 L HA 0.292 5.266 4.340 1.056 0.000 0.232 127 L C 0.807 177.574 176.870 -0.170 0.000 1.138 127 L CA -0.166 54.647 54.840 -0.045 0.000 0.921 127 L CB -0.698 41.357 42.059 -0.007 0.000 1.180 127 L HN 0.851 nan 8.230 nan 0.000 0.487 128 Q N -1.129 118.419 119.800 -0.419 0.000 2.756 128 Q HA 0.714 5.687 4.340 1.056 0.000 0.295 128 Q C -1.693 173.531 176.000 -1.294 0.000 0.903 128 Q CA -0.914 54.238 55.803 -1.084 0.000 0.768 128 Q CB 2.001 30.161 28.738 -0.962 0.000 1.472 128 Q HN -0.087 nan 8.270 nan 0.000 0.416 129 A N 0.614 122.372 122.820 -1.770 0.000 2.311 129 A HA 0.841 5.794 4.320 1.056 0.000 0.334 129 A C -1.364 175.590 177.584 -1.049 0.000 1.139 129 A CA -0.685 50.756 52.037 -0.993 0.000 0.830 129 A CB 0.686 19.397 19.000 -0.482 0.000 1.234 129 A HN 0.525 nan 8.150 nan 0.000 0.483 130 F N 1.974 121.821 119.950 -0.172 0.000 2.550 130 F HA 0.262 5.420 4.527 1.052 0.000 0.348 130 F C 0.806 176.573 175.800 -0.055 0.000 1.219 130 F CA -0.470 57.469 58.000 -0.102 0.000 1.203 130 F CB 1.129 40.074 39.000 -0.091 0.000 1.436 130 F HN 0.496 nan 8.300 nan 0.000 0.541 131 L N 1.094 122.358 121.223 0.069 0.000 2.017 131 L HA -0.130 4.843 4.340 1.056 0.000 0.208 131 L C 1.858 178.764 176.870 0.060 0.000 1.073 131 L CA 2.140 57.006 54.840 0.043 0.000 0.745 131 L CB -0.370 41.696 42.059 0.011 0.000 0.894 131 L HN 0.351 nan 8.230 nan 0.000 0.432 132 D N -0.560 119.890 120.400 0.082 0.000 2.117 132 D HA -0.197 5.076 4.640 1.056 0.000 0.197 132 D C 2.215 178.573 176.300 0.097 0.000 0.987 132 D CA 1.460 55.515 54.000 0.092 0.000 0.829 132 D CB -0.167 40.688 40.800 0.092 0.000 0.961 132 D HN 0.310 nan 8.370 nan 0.000 0.460 133 L N 0.918 122.205 121.223 0.107 0.000 2.083 133 L HA -0.060 4.913 4.340 1.056 0.000 0.209 133 L C 2.151 179.047 176.870 0.043 0.000 1.083 133 L CA 1.423 56.299 54.840 0.061 0.000 0.752 133 L CB -0.619 41.452 42.059 0.021 0.000 0.899 133 L HN -0.060 nan 8.230 nan 0.000 0.433 134 A N -0.688 122.163 122.820 0.052 0.000 1.898 134 A HA -0.183 4.770 4.320 1.056 0.000 0.216 134 A C 2.064 179.664 177.584 0.028 0.000 1.181 134 A CA 1.645 53.685 52.037 0.005 0.000 0.620 134 A CB -0.678 18.318 19.000 -0.007 0.000 0.819 134 A HN 0.547 nan 8.150 nan 0.000 0.442 135 N N 0.356 119.109 118.700 0.088 0.000 2.223 135 N HA -0.073 5.300 4.740 1.056 0.000 0.185 135 N C 1.722 177.347 175.510 0.192 0.000 1.016 135 N CA 1.450 54.621 53.050 0.202 0.000 0.863 135 N CB -0.391 38.268 38.487 0.287 0.000 0.983 135 N HN 0.500 nan 8.380 nan 0.000 0.429 136 A N 0.590 123.492 122.820 0.137 0.000 1.903 136 A HA 0.049 5.002 4.320 1.056 0.000 0.213 136 A C 1.890 179.554 177.584 0.133 0.000 1.185 136 A CA 0.882 52.999 52.037 0.133 0.000 0.628 136 A CB -0.101 18.957 19.000 0.096 0.000 0.830 136 A HN 0.162 nan 8.150 nan 0.000 0.446 137 N N -0.223 118.531 118.700 0.089 0.000 2.415 137 N HA 0.139 5.513 4.740 1.056 0.000 0.176 137 N C 0.160 175.752 175.510 0.138 0.000 1.042 137 N CA 0.218 53.330 53.050 0.103 0.000 0.902 137 N CB -0.220 38.288 38.487 0.036 0.000 0.986 137 N HN 0.383 nan 8.380 nan 0.000 0.447 138 L N 3.311 124.535 121.223 0.000 0.000 2.360 138 L HA 0.225 5.198 4.340 1.056 0.000 0.276 138 L C -1.815 174.977 176.870 -0.130 0.000 1.121 138 L CA -1.463 53.275 54.840 -0.170 0.000 0.845 138 L CB 0.392 42.198 42.059 -0.422 0.000 1.143 138 L HN -0.027 nan 8.230 nan 0.000 0.452 139 P HA 0.229 nan 4.420 nan 0.000 0.272 139 P C -1.036 175.766 177.300 -0.830 0.000 1.230 139 P CA -0.434 62.390 63.100 -0.459 0.000 0.788 139 P CB 1.347 33.039 31.700 -0.013 0.000 0.949 140 A N 2.351 124.122 122.820 -1.749 0.000 2.356 140 A HA 0.583 5.536 4.320 1.056 0.000 0.323 140 A C -1.720 175.298 177.584 -0.944 0.000 1.119 140 A CA -1.700 49.564 52.037 -1.288 0.000 0.790 140 A CB 0.849 18.814 19.000 -1.725 0.000 1.273 140 A HN 0.356 nan 8.150 nan 0.000 0.452 141 P HA -0.127 nan 4.420 nan 0.000 0.222 141 P C 0.693 178.019 177.300 0.043 0.000 1.147 141 P CA 1.266 64.277 63.100 -0.148 0.000 0.790 141 P CB -0.149 31.519 31.700 -0.054 0.000 0.780 142 F N -3.617 116.438 119.950 0.176 0.000 2.732 142 F HA 0.379 4.999 4.527 0.155 0.000 0.303 142 F C 0.591 176.622 175.800 0.385 0.000 1.110 142 F CA -1.569 56.593 58.000 0.269 0.000 1.355 142 F CB -1.240 37.895 39.000 0.226 0.000 1.081 142 F HN -0.364 nan 8.300 nan 0.000 0.565 143 F N 2.662 122.607 119.950 -0.009 0.000 2.506 143 F HA 0.262 5.431 4.527 1.069 0.000 0.351 143 F C 1.376 177.259 175.800 0.137 0.000 1.136 143 F CA -1.345 56.697 58.000 0.070 0.000 1.298 143 F CB 0.559 39.561 39.000 0.003 0.000 1.145 143 F HN 0.085 nan 8.300 nan 0.000 0.593 144 T N 0.886 115.586 114.554 0.244 0.000 2.788 144 T HA 0.246 5.229 4.350 1.056 0.000 0.280 144 T C 1.138 175.930 174.700 0.154 0.000 0.984 144 T CA -0.787 61.419 62.100 0.176 0.000 0.972 144 T CB 0.829 69.758 68.868 0.101 0.000 1.039 144 T HN 0.466 nan 8.240 nan 0.000 0.530 145 L N 1.384 122.678 121.223 0.120 0.000 2.046 145 L HA 0.156 5.129 4.340 1.056 0.000 0.208 145 L C -0.902 176.010 176.870 0.069 0.000 1.077 145 L CA 1.596 56.491 54.840 0.092 0.000 0.747 145 L CB -1.711 40.387 42.059 0.065 0.000 0.896 145 L HN 0.522 nan 8.230 nan 0.000 0.432 146 P HA -0.183 nan 4.420 nan 0.000 0.216 146 P C 1.479 178.790 177.300 0.019 0.000 1.150 146 P CA 1.511 64.627 63.100 0.027 0.000 0.837 146 P CB -0.022 31.684 31.700 0.011 0.000 0.786 147 Q N -1.033 118.758 119.800 -0.016 0.000 2.119 147 Q HA -0.072 4.901 4.340 1.056 0.000 0.201 147 Q C 2.157 178.216 176.000 0.098 0.000 0.972 147 Q CA 1.014 56.738 55.803 -0.132 0.000 0.847 147 Q CB -0.584 27.861 28.738 -0.488 0.000 0.903 147 Q HN 0.288 nan 8.270 nan 0.000 0.433 148 L N 0.589 121.956 121.223 0.240 0.000 2.017 148 L HA -0.211 4.762 4.340 1.056 0.000 0.208 148 L C 2.281 179.304 176.870 0.255 0.000 1.073 148 L CA 1.323 56.368 54.840 0.342 0.000 0.745 148 L CB -0.316 41.859 42.059 0.192 0.000 0.894 148 L HN 0.135 nan 8.230 nan 0.000 0.432 149 K N -0.196 120.280 120.400 0.127 0.000 2.057 149 K HA -0.183 4.770 4.320 1.056 0.000 0.207 149 K C 1.751 178.458 176.600 0.179 0.000 1.049 149 K CA 1.550 57.901 56.287 0.107 0.000 0.931 149 K CB -0.197 32.335 32.500 0.054 0.000 0.714 149 K HN 0.240 nan 8.250 nan 0.000 0.440 150 D N 0.388 120.874 120.400 0.144 0.000 2.104 150 D HA -0.150 5.124 4.640 1.056 0.000 0.194 150 D C 2.121 178.540 176.300 0.199 0.000 0.994 150 D CA 1.766 55.840 54.000 0.124 0.000 0.830 150 D CB -0.335 40.496 40.800 0.052 0.000 0.959 150 D HN 0.201 nan 8.370 nan 0.000 0.452 151 S N -0.108 115.785 115.700 0.322 0.000 2.368 151 S HA -0.175 4.928 4.470 1.056 0.000 0.225 151 S C 2.090 176.943 174.600 0.422 0.000 1.030 151 S CA 0.724 59.178 58.200 0.424 0.000 0.999 151 S CB -0.781 62.805 63.200 0.643 0.000 0.844 151 S HN 0.091 nan 8.310 nan 0.000 0.459 152 F N 2.365 122.472 119.950 0.262 0.000 2.113 152 F HA 0.190 5.345 4.527 1.046 0.000 0.297 152 F C 2.786 178.590 175.800 0.008 0.000 1.103 152 F CA 0.904 59.017 58.000 0.188 0.000 1.248 152 F CB -0.531 38.609 39.000 0.233 0.000 0.999 152 F HN 0.107 nan 8.300 nan 0.000 0.475 153 R N -0.160 120.474 120.500 0.223 0.000 2.096 153 R HA -0.212 4.761 4.340 1.056 0.000 0.235 153 R C 1.898 178.205 176.300 0.012 0.000 1.127 153 R CA 1.498 57.654 56.100 0.093 0.000 0.968 153 R CB -0.766 29.586 30.300 0.087 0.000 0.861 153 R HN 0.247 nan 8.270 nan 0.000 0.440 154 N N 0.718 119.427 118.700 0.016 0.000 2.205 154 N HA -0.139 5.234 4.740 1.056 0.000 0.186 154 N C 1.491 176.927 175.510 -0.123 0.000 1.015 154 N CA 1.488 54.519 53.050 -0.032 0.000 0.862 154 N CB 0.161 38.653 38.487 0.008 0.000 0.986 154 N HN 0.184 nan 8.380 nan 0.000 0.429 155 V N -4.668 115.101 119.914 -0.242 0.000 3.647 155 V HA 0.552 5.305 4.120 1.056 0.000 0.279 155 V C 1.232 177.152 176.094 -0.290 0.000 1.314 155 V CA 0.565 62.643 62.300 -0.371 0.000 1.125 155 V CB -0.079 31.275 31.823 -0.782 0.000 0.907 155 V HN 0.307 nan 8.190 nan 0.000 0.434 156 G N 0.629 109.319 108.800 -0.184 0.000 2.192 156 G HA2 -0.149 4.444 3.960 1.056 0.000 0.193 156 G HA3 -0.149 4.444 3.960 1.056 0.000 0.193 156 G C -0.144 174.716 174.900 -0.066 0.000 0.999 156 G CA -0.063 44.967 45.100 -0.115 0.000 0.659 156 G HN 0.481 nan 8.290 nan 0.000 0.503 157 L N 1.755 122.951 121.223 -0.045 0.000 2.314 157 L HA 0.404 5.377 4.340 1.056 0.000 0.275 157 L C 0.990 177.942 176.870 0.137 0.000 1.068 157 L CA -0.892 53.991 54.840 0.072 0.000 0.894 157 L CB 0.827 42.983 42.059 0.163 0.000 1.275 157 L HN -0.035 nan 8.230 nan 0.000 0.432 158 N N 1.664 120.414 118.700 0.083 0.000 2.409 158 N HA 0.004 5.377 4.740 1.056 0.000 0.179 158 N C 0.468 176.026 175.510 0.080 0.000 1.032 158 N CA 0.580 53.675 53.050 0.076 0.000 0.898 158 N CB 0.213 38.726 38.487 0.042 0.000 0.971 158 N HN 0.473 nan 8.380 nan 0.000 0.441 159 R N 0.344 120.896 120.500 0.087 0.000 2.390 159 R HA 0.234 5.207 4.340 1.056 0.000 0.291 159 R C 1.073 177.416 176.300 0.072 0.000 1.070 159 R CA -0.134 56.009 56.100 0.073 0.000 1.014 159 R CB 0.716 31.058 30.300 0.070 0.000 1.007 159 R HN -0.039 nan 8.270 nan 0.000 0.466 160 S N 0.845 116.570 115.700 0.042 0.000 2.419 160 S HA -0.166 4.937 4.470 1.056 0.000 0.233 160 S C 1.840 176.468 174.600 0.047 0.000 1.016 160 S CA 1.436 59.647 58.200 0.018 0.000 0.974 160 S CB -0.041 63.160 63.200 0.001 0.000 0.786 160 S HN 0.694 nan 8.310 nan 0.000 0.492 161 S N 1.251 117.001 115.700 0.083 0.000 2.402 161 S HA -0.135 4.968 4.470 1.056 0.000 0.229 161 S C 1.456 176.174 174.600 0.197 0.000 1.021 161 S CA 1.083 59.380 58.200 0.163 0.000 0.974 161 S CB -0.376 62.922 63.200 0.164 0.000 0.800 161 S HN 0.413 nan 8.310 nan 0.000 0.484 162 D N 1.219 121.712 120.400 0.155 0.000 2.084 162 D HA -0.093 5.180 4.640 1.056 0.000 0.194 162 D C 1.936 178.364 176.300 0.212 0.000 0.990 162 D CA 1.086 55.210 54.000 0.206 0.000 0.826 162 D CB -0.594 40.373 40.800 0.277 0.000 0.971 162 D HN 0.377 nan 8.370 nan 0.000 0.453 163 L N 0.853 122.074 121.223 -0.003 0.000 2.017 163 L HA -0.143 4.830 4.340 1.056 0.000 0.208 163 L C 2.267 179.086 176.870 -0.084 0.000 1.073 163 L CA 1.423 56.011 54.840 -0.420 0.000 0.745 163 L CB -0.531 41.180 42.059 -0.580 0.000 0.894 163 L HN -0.127 nan 8.230 nan 0.000 0.432 164 V N 0.044 120.019 119.914 0.102 0.000 2.358 164 V HA -0.218 4.535 4.120 1.056 0.000 0.246 164 V C 2.775 179.206 176.094 0.561 0.000 1.047 164 V CA 1.527 64.012 62.300 0.307 0.000 1.035 164 V CB -1.391 30.584 31.823 0.253 0.000 0.658 164 V HN 0.600 nan 8.190 nan 0.000 0.452 165 A N -0.185 122.976 122.820 0.569 0.000 1.873 165 A HA -0.092 4.861 4.320 1.056 0.000 0.215 165 A C 2.193 180.105 177.584 0.547 0.000 1.186 165 A CA 1.547 53.928 52.037 0.573 0.000 0.616 165 A CB -0.514 18.672 19.000 0.310 0.000 0.823 165 A HN 0.486 nan 8.150 nan 0.000 0.442 166 L N -0.281 121.127 121.223 0.309 0.000 2.201 166 L HA -0.110 4.864 4.340 1.056 0.000 0.212 166 L C 2.546 179.441 176.870 0.041 0.000 1.105 166 L CA 1.124 56.087 54.840 0.206 0.000 0.775 166 L CB -0.313 41.838 42.059 0.152 0.000 0.913 166 L HN 0.281 nan 8.230 nan 0.000 0.440 167 S N 0.155 115.830 115.700 -0.042 0.000 2.469 167 S HA -0.094 5.009 4.470 1.056 0.000 0.238 167 S C 1.945 176.081 174.600 -0.773 0.000 0.998 167 S CA 0.937 58.914 58.200 -0.372 0.000 0.957 167 S CB -0.335 62.790 63.200 -0.124 0.000 0.764 167 S HN 0.619 nan 8.310 nan 0.000 0.514 168 G N 1.093 109.666 108.800 -0.377 0.000 2.625 168 G HA2 0.003 4.596 3.960 1.056 0.000 0.214 168 G HA3 0.003 4.596 3.960 1.056 0.000 0.214 168 G C 1.256 175.803 174.900 -0.588 0.000 1.132 168 G CA 0.583 45.291 45.100 -0.653 0.000 0.782 168 G HN 0.550 nan 8.290 nan 0.000 0.538 169 G N -0.402 108.209 108.800 -0.315 0.000 2.498 169 G HA2 -0.138 4.456 3.960 1.056 0.000 0.219 169 G HA3 -0.138 4.456 3.960 1.056 0.000 0.219 169 G C 1.110 175.935 174.900 -0.125 0.000 1.119 169 G CA 0.300 45.363 45.100 -0.062 0.000 0.766 169 G HN 0.682 nan 8.290 nan 0.000 0.552 170 H N -0.541 118.174 119.070 -0.591 0.000 2.592 170 H HA 0.134 5.321 4.556 1.052 0.000 0.291 170 H C 2.021 177.194 175.328 -0.257 0.000 1.052 170 H CA 0.222 55.908 56.048 -0.604 0.000 1.175 170 H CB 0.477 29.796 29.762 -0.740 0.000 1.378 170 H HN 0.250 nan 8.280 nan 0.000 0.576 171 T N 0.654 115.057 114.554 -0.251 0.000 3.113 171 T HA -0.017 4.966 4.350 1.056 0.000 0.256 171 T C -0.120 174.618 174.700 0.064 0.000 1.131 171 T CA 0.184 62.159 62.100 -0.208 0.000 1.074 171 T CB -0.054 68.444 68.868 -0.616 0.000 0.944 171 T HN 0.338 nan 8.240 nan 0.000 0.516 172 F N -1.549 118.397 119.950 -0.007 0.000 2.789 172 F HA 0.718 5.877 4.527 1.054 0.000 0.319 172 F C 0.074 175.954 175.800 0.134 0.000 1.168 172 F CA -1.797 56.254 58.000 0.085 0.000 0.934 172 F CB 0.754 39.813 39.000 0.097 0.000 1.375 172 F HN 0.135 nan 8.300 nan 0.000 0.480 173 G N 1.311 110.188 108.800 0.128 0.000 2.710 173 G HA2 0.196 4.790 3.960 1.056 0.000 0.668 173 G HA3 0.196 4.790 3.960 1.056 0.000 0.668 173 G C -1.653 173.407 174.900 0.267 0.000 1.320 173 G CA -0.714 44.414 45.100 0.048 0.000 0.860 173 G HN 0.788 nan 8.290 nan 0.000 0.538 174 K N -0.007 120.530 120.400 0.228 0.000 2.281 174 K HA 0.691 5.644 4.320 1.056 0.000 0.242 174 K C -0.236 176.441 176.600 0.129 0.000 0.971 174 K CA -1.007 55.370 56.287 0.149 0.000 0.834 174 K CB 2.138 34.678 32.500 0.067 0.000 1.181 174 K HN 0.807 nan 8.250 nan 0.000 0.435 175 N N 0.543 119.162 118.700 -0.136 0.000 2.260 175 N HA 0.105 5.479 4.740 1.056 0.000 0.293 175 N C -1.387 174.105 175.510 -0.030 0.000 1.058 175 N CA -0.379 52.565 53.050 -0.178 0.000 0.824 175 N CB 1.508 39.509 38.487 -0.810 0.000 1.551 175 N HN 0.303 nan 8.380 nan 0.000 0.475 176 Q N 1.721 121.604 119.800 0.139 0.000 2.340 176 Q HA 0.190 5.164 4.340 1.056 0.000 0.249 176 Q C 0.646 176.610 176.000 -0.060 0.000 0.957 176 Q CA -0.528 55.279 55.803 0.008 0.000 0.882 176 Q CB 1.052 29.739 28.738 -0.083 0.000 1.235 176 Q HN 0.748 nan 8.270 nan 0.000 0.439 177 c N 1.627 120.177 118.600 -0.083 0.000 2.403 177 c HA -0.208 4.995 4.570 1.056 0.000 0.277 177 c C 2.460 176.493 174.090 -0.096 0.000 1.248 177 c CA 1.294 57.582 56.329 -0.068 0.000 1.762 177 c CB -1.173 41.310 42.510 -0.045 0.000 2.014 177 c HN 0.957 nan 8.230 nan 0.000 0.486 178 R N 0.319 120.682 120.500 -0.228 0.000 2.133 178 R HA -0.191 4.783 4.340 1.056 0.000 0.247 178 R C 1.542 177.698 176.300 -0.240 0.000 1.151 178 R CA 2.151 58.066 56.100 -0.307 0.000 0.971 178 R CB -0.969 29.015 30.300 -0.527 0.000 0.866 178 R HN 0.417 nan 8.270 nan 0.000 0.447 179 F N 1.463 121.453 119.950 0.066 0.000 2.748 179 F HA 0.198 5.278 4.527 0.922 0.000 0.299 179 F C 1.859 177.714 175.800 0.091 0.000 1.154 179 F CA 0.034 58.093 58.000 0.098 0.000 1.446 179 F CB 0.032 39.081 39.000 0.082 0.000 1.112 179 F HN 0.140 nan 8.300 nan 0.000 0.584 180 I N -5.068 115.602 120.570 0.167 0.000 4.240 180 I HA 0.106 4.909 4.170 1.056 0.000 0.331 180 I C 1.583 177.745 176.117 0.075 0.000 1.381 180 I CA 0.023 61.385 61.300 0.103 0.000 1.136 180 I CB -0.082 37.917 38.000 -0.002 0.000 1.137 180 I HN -0.195 nan 8.210 nan 0.000 0.411 181 M N 2.694 122.357 119.600 0.105 0.000 2.144 181 M HA -0.180 4.933 4.480 1.056 0.000 0.260 181 M C 1.971 178.385 176.300 0.190 0.000 1.067 181 M CA 2.088 57.487 55.300 0.164 0.000 1.095 181 M CB -1.140 31.549 32.600 0.149 0.000 1.365 181 M HN 0.583 nan 8.290 nan 0.000 0.406 182 D N -0.059 120.454 120.400 0.189 0.000 2.117 182 D HA -0.186 5.087 4.640 1.056 0.000 0.198 182 D C 1.907 178.379 176.300 0.285 0.000 0.982 182 D CA 1.209 55.349 54.000 0.233 0.000 0.828 182 D CB -0.705 40.235 40.800 0.233 0.000 0.967 182 D HN 0.377 nan 8.370 nan 0.000 0.464 183 R N 0.098 120.736 120.500 0.230 0.000 2.120 183 R HA 0.042 5.015 4.340 1.056 0.000 0.234 183 R C 2.620 178.842 176.300 -0.130 0.000 1.123 183 R CA 0.800 56.906 56.100 0.011 0.000 0.975 183 R CB -0.250 29.984 30.300 -0.110 0.000 0.866 183 R HN 0.308 nan 8.270 nan 0.000 0.446 184 L N -1.413 119.682 121.223 -0.214 0.000 2.209 184 L HA -0.047 4.926 4.340 1.056 0.000 0.207 184 L C 1.255 177.665 176.870 -0.766 0.000 1.094 184 L CA 1.129 55.623 54.840 -0.577 0.000 0.790 184 L CB -0.049 41.489 42.059 -0.868 0.000 0.932 184 L HN 0.170 nan 8.230 nan 0.000 0.447 185 Y N -2.377 117.947 120.300 0.039 0.000 2.494 185 Y HA 0.240 5.419 4.550 1.050 0.000 0.271 185 Y C 0.533 176.467 175.900 0.058 0.000 1.113 185 Y CA -0.747 57.375 58.100 0.036 0.000 1.240 185 Y CB 0.520 38.992 38.460 0.019 0.000 1.268 185 Y HN 0.047 nan 8.280 nan 0.000 0.510 186 N N 0.197 119.026 118.700 0.215 0.000 2.827 186 N HA 0.095 5.469 4.740 1.056 0.000 0.240 186 N C -2.028 173.593 175.510 0.186 0.000 1.352 186 N CA -0.296 52.853 53.050 0.166 0.000 0.760 186 N CB -0.057 38.504 38.487 0.123 0.000 1.426 186 N HN 0.005 nan 8.380 nan 0.000 0.561 187 F N 3.086 123.058 119.950 0.036 0.000 2.424 187 F HA 0.401 5.557 4.527 1.047 0.000 0.356 187 F C 1.257 177.078 175.800 0.034 0.000 1.110 187 F CA 0.081 58.103 58.000 0.036 0.000 1.161 187 F CB 0.947 39.965 39.000 0.029 0.000 1.115 187 F HN 0.524 nan 8.300 nan 0.000 0.507 188 S N 5.635 120.996 115.700 -0.564 0.000 3.559 188 S HA -0.292 4.811 4.470 1.056 0.000 0.369 188 S C 0.478 174.980 174.600 -0.162 0.000 0.987 188 S CA 0.923 58.869 58.200 -0.422 0.000 1.187 188 S CB -1.643 61.252 63.200 -0.508 0.000 0.914 188 S HN 0.983 nan 8.310 nan 0.000 0.480 189 N N -1.341 117.302 118.700 -0.094 0.000 2.714 189 N HA -0.214 5.159 4.740 1.056 0.000 0.250 189 N C 0.731 176.237 175.510 -0.006 0.000 1.117 189 N CA 1.566 54.594 53.050 -0.037 0.000 0.719 189 N CB -2.038 36.420 38.487 -0.047 0.000 1.081 189 N HN 0.958 nan 8.380 nan 0.000 0.557 190 T N -4.402 110.164 114.554 0.021 0.000 3.065 190 T HA 0.338 5.321 4.350 1.056 0.000 0.252 190 T C 1.491 176.225 174.700 0.056 0.000 1.099 190 T CA 1.091 63.218 62.100 0.045 0.000 1.063 190 T CB 0.513 69.430 68.868 0.080 0.000 0.948 190 T HN 0.619 nan 8.240 nan 0.000 0.506 191 G N 1.197 110.035 108.800 0.064 0.000 2.155 191 G HA2 -0.204 4.389 3.960 1.056 0.000 0.257 191 G HA3 -0.204 4.389 3.960 1.056 0.000 0.257 191 G C -0.133 174.817 174.900 0.083 0.000 0.983 191 G CA 0.592 45.733 45.100 0.068 0.000 0.676 191 G HN 0.650 nan 8.290 nan 0.000 0.528 192 L N 0.361 121.643 121.223 0.098 0.000 2.350 192 L HA 0.597 5.570 4.340 1.056 0.000 0.260 192 L C -2.012 174.920 176.870 0.104 0.000 1.015 192 L CA -2.674 52.219 54.840 0.088 0.000 0.821 192 L CB 2.537 44.640 42.059 0.072 0.000 1.370 192 L HN -0.133 nan 8.230 nan 0.000 0.416 193 P HA -0.004 nan 4.420 nan 0.000 0.274 193 P C -1.107 176.170 177.300 -0.039 0.000 1.246 193 P CA -0.291 62.797 63.100 -0.020 0.000 0.795 193 P CB 0.635 32.275 31.700 -0.101 0.000 1.006 194 D N 1.897 122.164 120.400 -0.223 0.000 2.412 194 D HA -0.003 5.270 4.640 1.056 0.000 0.257 194 D C -1.037 175.113 176.300 -0.250 0.000 1.217 194 D CA -1.784 51.899 54.000 -0.528 0.000 0.897 194 D CB 0.303 40.486 40.800 -1.028 0.000 1.132 194 D HN 0.194 nan 8.370 nan 0.000 0.493 195 P HA -0.123 nan 4.420 nan 0.000 0.225 195 P C 0.884 178.146 177.300 -0.063 0.000 1.148 195 P CA 0.957 64.021 63.100 -0.059 0.000 0.779 195 P CB -0.078 31.619 31.700 -0.004 0.000 0.780 196 T N -3.492 111.001 114.554 -0.102 0.000 3.129 196 T HA 0.150 5.133 4.350 1.056 0.000 0.251 196 T C 0.563 175.230 174.700 -0.054 0.000 1.117 196 T CA -0.369 61.699 62.100 -0.055 0.000 1.034 196 T CB -0.590 68.254 68.868 -0.040 0.000 0.968 196 T HN -0.088 nan 8.240 nan 0.000 0.526 197 L N 3.051 124.219 121.223 -0.091 0.000 2.264 197 L HA 0.434 5.408 4.340 1.056 0.000 0.289 197 L C -0.027 176.833 176.870 -0.016 0.000 1.044 197 L CA -0.967 53.839 54.840 -0.056 0.000 0.807 197 L CB 0.778 42.764 42.059 -0.121 0.000 1.192 197 L HN 0.160 nan 8.230 nan 0.000 0.425 198 N N 2.482 121.203 118.700 0.035 0.000 2.294 198 N HA -0.140 5.233 4.740 1.056 0.000 0.263 198 N C 0.930 176.463 175.510 0.038 0.000 1.281 198 N CA 0.946 54.019 53.050 0.038 0.000 0.846 198 N CB 1.034 39.550 38.487 0.048 0.000 1.061 198 N HN 0.893 nan 8.380 nan 0.000 0.478 199 T N 0.576 115.137 114.554 0.011 0.000 2.881 199 T HA -0.111 4.872 4.350 1.056 0.000 0.270 199 T C 1.652 176.360 174.700 0.014 0.000 1.068 199 T CA 1.594 63.694 62.100 -0.000 0.000 1.131 199 T CB -0.240 68.625 68.868 -0.005 0.000 0.871 199 T HN 0.505 nan 8.240 nan 0.000 0.479 200 T N 0.595 115.170 114.554 0.036 0.000 2.770 200 T HA 0.016 4.999 4.350 1.056 0.000 0.263 200 T C 1.443 176.203 174.700 0.099 0.000 1.039 200 T CA 0.939 63.067 62.100 0.046 0.000 1.142 200 T CB -0.534 68.355 68.868 0.034 0.000 0.868 200 T HN 0.423 nan 8.240 nan 0.000 0.435 201 Y N 1.939 122.209 120.300 -0.051 0.000 2.293 201 Y HA 0.003 5.187 4.550 1.057 0.000 0.291 201 Y C 2.044 177.904 175.900 -0.066 0.000 1.137 201 Y CA 0.064 58.130 58.100 -0.057 0.000 1.202 201 Y CB -0.743 37.678 38.460 -0.065 0.000 0.990 201 Y HN 0.105 nan 8.280 nan 0.000 0.537 202 L N 0.380 121.577 121.223 -0.043 0.000 2.012 202 L HA -0.250 4.724 4.340 1.056 0.000 0.210 202 L C 2.088 178.868 176.870 -0.150 0.000 1.073 202 L CA 1.991 56.735 54.840 -0.160 0.000 0.748 202 L CB -0.959 41.031 42.059 -0.115 0.000 0.891 202 L HN 0.108 nan 8.230 nan 0.000 0.431 203 Q N -0.538 119.222 119.800 -0.068 0.000 2.050 203 Q HA -0.153 4.820 4.340 1.056 0.000 0.202 203 Q C 2.259 178.233 176.000 -0.044 0.000 0.980 203 Q CA 2.382 58.160 55.803 -0.041 0.000 0.840 203 Q CB -1.065 27.669 28.738 -0.007 0.000 0.898 203 Q HN 0.562 nan 8.270 nan 0.000 0.424 204 T N 0.943 115.478 114.554 -0.032 0.000 2.708 204 T HA -0.095 4.889 4.350 1.056 0.000 0.266 204 T C 1.821 176.462 174.700 -0.098 0.000 1.037 204 T CA 1.088 63.175 62.100 -0.021 0.000 1.146 204 T CB -0.295 68.620 68.868 0.079 0.000 0.865 204 T HN 0.171 nan 8.240 nan 0.000 0.435 205 L N 0.221 121.300 121.223 -0.239 0.000 2.141 205 L HA -0.039 4.934 4.340 1.056 0.000 0.209 205 L C 2.851 179.630 176.870 -0.152 0.000 1.094 205 L CA 1.226 55.902 54.840 -0.273 0.000 0.763 205 L CB -0.455 41.327 42.059 -0.462 0.000 0.908 205 L HN 0.151 nan 8.230 nan 0.000 0.437 206 R N -0.144 120.278 120.500 -0.130 0.000 2.115 206 R HA -0.089 4.885 4.340 1.056 0.000 0.230 206 R C 2.350 178.681 176.300 0.052 0.000 1.111 206 R CA 1.124 57.214 56.100 -0.016 0.000 0.976 206 R CB -0.505 29.785 30.300 -0.016 0.000 0.870 206 R HN 0.416 nan 8.270 nan 0.000 0.445 207 G N 0.527 109.331 108.800 0.006 0.000 2.421 207 G HA2 -0.171 4.422 3.960 1.056 0.000 0.217 207 G HA3 -0.171 4.422 3.960 1.056 0.000 0.217 207 G C 1.351 176.256 174.900 0.009 0.000 1.143 207 G CA 0.267 45.376 45.100 0.015 0.000 0.784 207 G HN 0.139 nan 8.290 nan 0.000 0.541 208 L N -0.392 120.825 121.223 -0.010 0.000 2.270 208 L HA 0.160 5.134 4.340 1.056 0.000 0.210 208 L C 0.542 177.409 176.870 -0.004 0.000 1.104 208 L CA 0.167 54.999 54.840 -0.014 0.000 0.804 208 L CB 0.248 42.286 42.059 -0.035 0.000 0.937 208 L HN 0.119 nan 8.230 nan 0.000 0.450 209 c N 1.069 119.678 118.600 0.014 0.000 3.169 209 c HA 0.343 5.546 4.570 1.056 0.000 0.232 209 c C -2.094 172.082 174.090 0.142 0.000 1.316 209 c CA -1.582 54.776 56.329 0.049 0.000 1.545 209 c CB -0.238 42.292 42.510 0.033 0.000 1.785 209 c HN 0.106 nan 8.230 nan 0.000 0.454 210 P HA 0.067 nan 4.420 nan 0.000 0.272 210 P C -0.076 177.174 177.300 -0.083 0.000 1.223 210 P CA 0.045 63.179 63.100 0.057 0.000 0.784 210 P CB 1.142 32.844 31.700 0.003 0.000 0.923 211 L N 3.035 124.027 121.223 -0.384 0.000 2.490 211 L HA -0.035 4.938 4.340 1.056 0.000 0.274 211 L C 0.986 177.712 176.870 -0.240 0.000 1.201 211 L CA 0.671 55.186 54.840 -0.542 0.000 0.869 211 L CB -0.817 40.754 42.059 -0.814 0.000 1.123 211 L HN 0.635 nan 8.230 nan 0.000 0.484 212 N N 1.359 119.959 118.700 -0.167 0.000 2.878 212 N HA -0.168 5.205 4.740 1.056 0.000 0.247 212 N C 0.379 175.847 175.510 -0.071 0.000 1.021 212 N CA 0.319 53.308 53.050 -0.101 0.000 0.873 212 N CB -0.878 37.551 38.487 -0.098 0.000 1.128 212 N HN 0.806 nan 8.380 nan 0.000 0.571 213 G N 0.548 109.309 108.800 -0.064 0.000 2.510 213 G HA2 0.204 4.798 3.960 1.056 0.000 0.280 213 G HA3 0.204 4.798 3.960 1.056 0.000 0.280 213 G C -0.192 174.688 174.900 -0.033 0.000 1.386 213 G CA -0.394 44.682 45.100 -0.040 0.000 1.047 213 G HN 0.298 nan 8.290 nan 0.000 0.527 214 N N 0.106 118.790 118.700 -0.026 0.000 2.406 214 N HA 0.041 5.414 4.740 1.056 0.000 0.265 214 N C 1.394 176.884 175.510 -0.035 0.000 1.203 214 N CA -0.423 52.611 53.050 -0.026 0.000 0.945 214 N CB 0.204 38.679 38.487 -0.020 0.000 1.165 214 N HN 0.323 nan 8.380 nan 0.000 0.485 215 L N 2.318 123.513 121.223 -0.047 0.000 2.362 215 L HA -0.076 4.897 4.340 1.056 0.000 0.219 215 L C 1.748 178.561 176.870 -0.095 0.000 1.134 215 L CA 0.594 55.390 54.840 -0.074 0.000 0.807 215 L CB -0.085 41.922 42.059 -0.087 0.000 0.927 215 L HN 0.534 nan 8.230 nan 0.000 0.447 216 S N -0.210 115.453 115.700 -0.063 0.000 2.593 216 S HA 0.229 5.332 4.470 1.056 0.000 0.217 216 S C 1.060 175.642 174.600 -0.031 0.000 0.966 216 S CA -0.073 58.097 58.200 -0.050 0.000 0.914 216 S CB -0.022 63.163 63.200 -0.024 0.000 0.776 216 S HN 0.360 nan 8.310 nan 0.000 0.523 217 A N 1.691 124.493 122.820 -0.031 0.000 2.531 217 A HA 0.388 5.341 4.320 1.056 0.000 0.236 217 A C -0.004 177.566 177.584 -0.023 0.000 1.062 217 A CA 0.139 52.164 52.037 -0.021 0.000 0.760 217 A CB -0.031 18.956 19.000 -0.020 0.000 0.995 217 A HN 0.466 nan 8.150 nan 0.000 0.501 218 L N 2.469 123.684 121.223 -0.013 0.000 2.322 218 L HA 0.637 5.610 4.340 1.056 0.000 0.279 218 L C -0.048 176.807 176.870 -0.026 0.000 1.036 218 L CA -0.626 54.206 54.840 -0.013 0.000 0.807 218 L CB 1.434 43.496 42.059 0.006 0.000 1.226 218 L HN 0.514 nan 8.230 nan 0.000 0.433 219 V N 1.906 121.786 119.914 -0.056 0.000 2.823 219 V HA 0.392 5.146 4.120 1.056 0.000 0.312 219 V C -0.856 175.192 176.094 -0.077 0.000 1.072 219 V CA -0.684 61.576 62.300 -0.065 0.000 0.937 219 V CB 2.495 34.256 31.823 -0.103 0.000 1.013 219 V HN 0.669 nan 8.190 nan 0.000 0.430 220 D N 4.129 124.524 120.400 -0.009 0.000 2.389 220 D HA 0.133 5.407 4.640 1.056 0.000 0.247 220 D C 0.524 176.855 176.300 0.052 0.000 1.128 220 D CA 0.299 54.331 54.000 0.052 0.000 0.884 220 D CB 1.326 42.183 40.800 0.095 0.000 1.194 220 D HN 0.524 nan 8.370 nan 0.000 0.441 221 F N 0.505 120.500 119.950 0.075 0.000 2.186 221 F HA -0.140 5.012 4.527 1.042 0.000 0.299 221 F C 1.355 177.227 175.800 0.121 0.000 1.090 221 F CA 0.928 58.977 58.000 0.082 0.000 1.307 221 F CB 0.257 39.295 39.000 0.063 0.000 1.019 221 F HN 0.196 nan 8.300 nan 0.000 0.489 222 D N 0.163 120.742 120.400 0.298 0.000 2.453 222 D HA 0.141 5.414 4.640 1.056 0.000 0.238 222 D C 0.932 177.286 176.300 0.091 0.000 1.088 222 D CA -0.241 53.861 54.000 0.169 0.000 0.854 222 D CB 0.868 41.757 40.800 0.149 0.000 1.076 222 D HN 0.237 nan 8.370 nan 0.000 0.533 223 L N 1.927 123.164 121.223 0.023 0.000 2.362 223 L HA 0.122 5.096 4.340 1.056 0.000 0.219 223 L C 1.691 178.541 176.870 -0.032 0.000 1.134 223 L CA 0.404 55.238 54.840 -0.009 0.000 0.807 223 L CB 0.093 42.077 42.059 -0.125 0.000 0.927 223 L HN 0.132 nan 8.230 nan 0.000 0.447 224 R N 0.914 121.387 120.500 -0.045 0.000 2.052 224 R HA 0.053 5.026 4.340 1.056 0.000 0.224 224 R C 0.465 176.764 176.300 -0.002 0.000 1.149 224 R CA 1.517 57.593 56.100 -0.040 0.000 0.962 224 R CB -0.152 30.111 30.300 -0.063 0.000 0.856 224 R HN 0.541 nan 8.270 nan 0.000 0.433 225 T N -1.784 112.781 114.554 0.018 0.000 3.226 225 T HA 0.309 5.292 4.350 1.056 0.000 0.378 225 T C -2.495 172.257 174.700 0.087 0.000 1.380 225 T CA -1.864 60.263 62.100 0.045 0.000 1.396 225 T CB 1.680 70.570 68.868 0.036 0.000 1.044 225 T HN -0.165 nan 8.240 nan 0.000 0.586 226 P HA -0.156 nan 4.420 nan 0.000 0.217 226 P C 1.485 178.907 177.300 0.203 0.000 1.151 226 P CA 1.575 64.761 63.100 0.143 0.000 0.849 226 P CB 0.083 31.846 31.700 0.106 0.000 0.787 227 T N -6.017 108.652 114.554 0.191 0.000 3.040 227 T HA 0.294 5.277 4.350 1.056 0.000 0.266 227 T C 0.438 175.325 174.700 0.311 0.000 1.005 227 T CA -0.219 62.037 62.100 0.260 0.000 0.906 227 T CB -0.385 68.583 68.868 0.166 0.000 1.082 227 T HN -0.094 nan 8.240 nan 0.000 0.531 228 I N 1.845 122.540 120.570 0.209 0.000 2.359 228 I HA 0.430 5.233 4.170 1.056 0.000 0.294 228 I C -0.701 175.445 176.117 0.048 0.000 0.987 228 I CA -1.290 60.102 61.300 0.153 0.000 1.225 228 I CB 1.441 39.505 38.000 0.106 0.000 1.366 228 I HN 0.111 nan 8.210 nan 0.000 0.466 229 F N 7.538 127.397 119.950 -0.153 0.000 2.434 229 F HA 0.225 5.385 4.527 1.054 0.000 0.358 229 F C -0.107 175.688 175.800 -0.009 0.000 1.136 229 F CA -0.055 57.729 58.000 -0.360 0.000 1.157 229 F CB -0.151 38.500 39.000 -0.582 0.000 1.167 229 F HN 0.565 nan 8.300 nan 0.000 0.539 230 D N 2.499 122.789 120.400 -0.182 0.000 2.825 230 D HA 0.134 5.407 4.640 1.056 0.000 0.327 230 D C -0.261 176.066 176.300 0.045 0.000 1.277 230 D CA -0.738 53.347 54.000 0.142 0.000 0.950 230 D CB 0.132 40.983 40.800 0.086 0.000 1.438 230 D HN 0.242 nan 8.370 nan 0.000 0.526 231 N N -0.357 118.392 118.700 0.083 0.000 2.370 231 N HA -0.054 5.319 4.740 1.056 0.000 0.198 231 N C 0.531 176.020 175.510 -0.035 0.000 1.156 231 N CA -0.057 52.968 53.050 -0.041 0.000 0.839 231 N CB 0.027 38.531 38.487 0.027 0.000 0.989 231 N HN 0.189 nan 8.380 nan 0.000 0.468 232 K N 0.483 120.844 120.400 -0.066 0.000 2.211 232 K HA -0.174 4.780 4.320 1.056 0.000 0.204 232 K C 1.375 177.903 176.600 -0.120 0.000 1.047 232 K CA 0.647 56.888 56.287 -0.076 0.000 0.935 232 K CB -0.786 31.677 32.500 -0.062 0.000 0.728 232 K HN 0.422 nan 8.250 nan 0.000 0.452 233 Y N 0.775 120.875 120.300 -0.334 0.000 2.151 233 Y HA -0.327 4.853 4.550 1.051 0.000 0.284 233 Y C 1.801 177.401 175.900 -0.500 0.000 1.166 233 Y CA 1.694 59.522 58.100 -0.453 0.000 1.163 233 Y CB -0.409 37.642 38.460 -0.682 0.000 0.974 233 Y HN 0.022 nan 8.280 nan 0.000 0.511 234 Y N -1.337 118.829 120.300 -0.224 0.000 2.314 234 Y HA -0.119 5.066 4.550 1.058 0.000 0.293 234 Y C 2.491 178.198 175.900 -0.322 0.000 1.129 234 Y CA 1.202 59.130 58.100 -0.287 0.000 1.201 234 Y CB -0.766 37.612 38.460 -0.137 0.000 0.999 234 Y HN -0.025 nan 8.280 nan 0.000 0.541 235 V N 0.525 120.360 119.914 -0.132 0.000 2.427 235 V HA -0.281 4.472 4.120 1.056 0.000 0.248 235 V C 1.848 177.783 176.094 -0.265 0.000 1.051 235 V CA 1.834 64.030 62.300 -0.173 0.000 1.048 235 V CB -0.535 31.213 31.823 -0.124 0.000 0.666 235 V HN 0.469 nan 8.190 nan 0.000 0.456 236 N N 0.583 119.101 118.700 -0.302 0.000 2.084 236 N HA -0.118 5.256 4.740 1.056 0.000 0.190 236 N C 1.831 177.110 175.510 -0.384 0.000 1.030 236 N CA 1.414 54.263 53.050 -0.335 0.000 0.849 236 N CB -0.523 37.762 38.487 -0.336 0.000 1.012 236 N HN 0.388 nan 8.380 nan 0.000 0.423 237 L N 1.361 122.293 121.223 -0.484 0.000 2.042 237 L HA -0.149 4.824 4.340 1.056 0.000 0.210 237 L C 2.007 178.431 176.870 -0.744 0.000 1.076 237 L CA 1.270 55.812 54.840 -0.497 0.000 0.749 237 L CB -0.543 41.233 42.059 -0.472 0.000 0.893 237 L HN 0.224 nan 8.230 nan 0.000 0.432 238 E N 0.262 119.945 120.200 -0.862 0.000 2.265 238 E HA -0.193 4.790 4.350 1.056 0.000 0.196 238 E C 1.164 177.442 176.600 -0.536 0.000 0.996 238 E CA 0.924 56.671 56.400 -1.089 0.000 0.832 238 E CB 0.008 29.351 29.700 -0.594 0.000 0.756 238 E HN 0.603 nan 8.360 nan 0.000 0.491 239 E N 0.395 120.381 120.200 -0.356 0.000 2.451 239 E HA 0.020 5.003 4.350 1.056 0.000 0.194 239 E C -0.356 176.158 176.600 -0.143 0.000 1.027 239 E CA -0.111 56.169 56.400 -0.199 0.000 0.914 239 E CB 0.582 30.171 29.700 -0.186 0.000 1.054 239 E HN 0.061 nan 8.360 nan 0.000 0.461 240 Q N -0.160 119.552 119.800 -0.147 0.000 2.494 240 Q HA -0.216 4.757 4.340 1.056 0.000 0.272 240 Q C 0.035 176.010 176.000 -0.042 0.000 1.145 240 Q CA 0.958 56.729 55.803 -0.052 0.000 0.943 240 Q CB -2.063 26.677 28.738 0.003 0.000 1.338 240 Q HN 0.375 nan 8.270 nan 0.000 0.492 241 K N -0.164 120.163 120.400 -0.123 0.000 2.514 241 K HA 0.264 5.217 4.320 1.056 0.000 0.207 241 K C 0.878 177.453 176.600 -0.043 0.000 1.035 241 K CA 0.376 56.593 56.287 -0.117 0.000 1.113 241 K CB 0.857 33.097 32.500 -0.433 0.000 0.846 241 K HN 0.265 nan 8.250 nan 0.000 0.491 242 G N 1.049 109.815 108.800 -0.056 0.000 2.441 242 G HA2 0.033 4.626 3.960 1.056 0.000 0.243 242 G HA3 0.033 4.626 3.960 1.056 0.000 0.243 242 G C 0.702 175.673 174.900 0.118 0.000 1.281 242 G CA -0.420 44.656 45.100 -0.041 0.000 0.854 242 G HN 0.120 nan 8.290 nan 0.000 0.560 243 L N 3.110 124.437 121.223 0.173 0.000 2.007 243 L HA 0.214 5.187 4.340 1.056 0.000 0.205 243 L C 1.586 178.487 176.870 0.051 0.000 1.073 243 L CA 1.282 56.188 54.840 0.110 0.000 0.744 243 L CB -0.474 41.588 42.059 0.006 0.000 0.898 243 L HN 0.655 nan 8.230 nan 0.000 0.435 244 I N -3.318 117.330 120.570 0.130 0.000 2.783 244 I HA 0.209 5.012 4.170 1.056 0.000 0.312 244 I C 1.291 177.503 176.117 0.158 0.000 0.988 244 I CA -0.573 60.812 61.300 0.141 0.000 1.182 244 I CB 0.908 39.022 38.000 0.190 0.000 1.368 244 I HN 0.287 nan 8.210 nan 0.000 0.511 245 Q N 2.271 122.175 119.800 0.174 0.000 2.077 245 Q HA -0.222 4.751 4.340 1.056 0.000 0.206 245 Q C 1.986 178.105 176.000 0.198 0.000 0.989 245 Q CA 3.205 59.123 55.803 0.192 0.000 0.853 245 Q CB -0.062 28.873 28.738 0.328 0.000 0.907 245 Q HN 0.959 nan 8.270 nan 0.000 0.418 246 S N 0.071 115.898 115.700 0.212 0.000 2.442 246 S HA -0.161 4.942 4.470 1.056 0.000 0.236 246 S C 1.230 175.956 174.600 0.211 0.000 1.007 246 S CA 1.241 59.563 58.200 0.203 0.000 0.965 246 S CB -0.196 63.110 63.200 0.178 0.000 0.773 246 S HN 0.402 nan 8.310 nan 0.000 0.504 247 D N 1.448 121.996 120.400 0.247 0.000 2.085 247 D HA -0.041 5.232 4.640 1.056 0.000 0.199 247 D C 2.144 178.519 176.300 0.126 0.000 0.981 247 D CA 1.246 55.401 54.000 0.259 0.000 0.834 247 D CB -0.600 40.378 40.800 0.297 0.000 0.992 247 D HN 0.362 nan 8.370 nan 0.000 0.457 248 Q N 1.113 120.971 119.800 0.097 0.000 2.226 248 Q HA -0.114 4.859 4.340 1.056 0.000 0.204 248 Q C 1.587 177.658 176.000 0.119 0.000 0.975 248 Q CA 1.188 57.036 55.803 0.074 0.000 0.866 248 Q CB -0.118 28.648 28.738 0.046 0.000 0.915 248 Q HN 0.343 nan 8.270 nan 0.000 0.440 249 E N -0.498 119.777 120.200 0.126 0.000 2.265 249 E HA -0.134 4.849 4.350 1.056 0.000 0.196 249 E C 1.671 178.339 176.600 0.112 0.000 0.996 249 E CA 0.702 57.175 56.400 0.121 0.000 0.832 249 E CB -0.098 29.685 29.700 0.138 0.000 0.756 249 E HN 0.404 nan 8.360 nan 0.000 0.491 250 L N -0.405 120.898 121.223 0.133 0.000 2.191 250 L HA -0.141 4.832 4.340 1.056 0.000 0.212 250 L C 2.071 179.040 176.870 0.165 0.000 1.103 250 L CA 0.876 55.796 54.840 0.134 0.000 0.769 250 L CB -0.166 41.995 42.059 0.171 0.000 0.908 250 L HN 0.150 nan 8.230 nan 0.000 0.438 251 F N -1.175 118.777 119.950 0.003 0.000 2.653 251 F HA 0.086 5.245 4.527 1.053 0.000 0.288 251 F C 2.127 177.919 175.800 -0.013 0.000 1.121 251 F CA 0.396 58.387 58.000 -0.015 0.000 1.384 251 F CB 0.413 39.392 39.000 -0.034 0.000 1.115 251 F HN -0.179 nan 8.300 nan 0.000 0.599 252 S N -1.006 114.732 115.700 0.064 0.000 2.523 252 S HA 0.112 5.216 4.470 1.056 0.000 0.217 252 S C 0.692 175.282 174.600 -0.016 0.000 0.996 252 S CA 0.035 58.226 58.200 -0.014 0.000 0.921 252 S CB -0.057 63.188 63.200 0.076 0.000 0.829 252 S HN 0.210 nan 8.310 nan 0.000 0.495 253 S N 2.492 118.197 115.700 0.009 0.000 2.568 253 S HA 0.153 5.256 4.470 1.056 0.000 0.282 253 S C -1.871 172.723 174.600 -0.011 0.000 1.338 253 S CA -1.098 57.115 58.200 0.022 0.000 1.045 253 S CB 0.701 63.927 63.200 0.043 0.000 0.873 253 S HN -0.008 nan 8.310 nan 0.000 0.516 254 P HA -0.005 nan 4.420 nan 0.000 0.226 254 P C 0.675 177.965 177.300 -0.016 0.000 1.153 254 P CA 0.726 63.820 63.100 -0.011 0.000 0.777 254 P CB 0.001 31.704 31.700 0.005 0.000 0.794 255 N N -0.472 118.225 118.700 -0.005 0.000 2.268 255 N HA 0.091 5.464 4.740 1.056 0.000 0.204 255 N C 0.656 176.156 175.510 -0.016 0.000 1.124 255 N CA -0.070 52.976 53.050 -0.006 0.000 0.838 255 N CB 0.152 38.644 38.487 0.008 0.000 0.994 255 N HN -0.067 nan 8.380 nan 0.000 0.489 256 A N -0.171 122.630 122.820 -0.033 0.000 2.327 256 A HA 0.119 5.072 4.320 1.056 0.000 0.228 256 A C 1.640 179.182 177.584 -0.070 0.000 1.275 256 A CA 0.030 52.039 52.037 -0.047 0.000 0.875 256 A CB -0.358 18.604 19.000 -0.063 0.000 0.925 256 A HN 0.197 nan 8.150 nan 0.000 0.493 257 T N 1.329 115.847 114.554 -0.061 0.000 2.759 257 T HA -0.166 4.817 4.350 1.056 0.000 0.269 257 T C 1.659 176.324 174.700 -0.058 0.000 1.042 257 T CA 1.864 63.925 62.100 -0.064 0.000 1.140 257 T CB -0.258 68.582 68.868 -0.048 0.000 0.864 257 T HN 0.875 nan 8.240 nan 0.000 0.455 258 D N 0.869 121.242 120.400 -0.045 0.000 2.305 258 D HA -0.047 5.226 4.640 1.056 0.000 0.206 258 D C 2.057 178.326 176.300 -0.051 0.000 0.974 258 D CA 1.285 55.260 54.000 -0.042 0.000 0.871 258 D CB -0.773 40.011 40.800 -0.027 0.000 0.947 258 D HN 0.531 nan 8.370 nan 0.000 0.516 259 T N -1.315 113.212 114.554 -0.044 0.000 3.035 259 T HA 0.153 5.137 4.350 1.056 0.000 0.259 259 T C 2.337 177.014 174.700 -0.038 0.000 1.078 259 T CA -0.032 62.045 62.100 -0.037 0.000 1.132 259 T CB -0.477 68.392 68.868 0.001 0.000 0.900 259 T HN 0.073 nan 8.240 nan 0.000 0.480 260 I N 2.697 123.235 120.570 -0.052 0.000 2.163 260 I HA -0.087 4.716 4.170 1.056 0.000 0.243 260 I C -0.245 175.854 176.117 -0.029 0.000 1.085 260 I CA 1.354 62.627 61.300 -0.044 0.000 1.347 260 I CB -0.954 36.931 38.000 -0.192 0.000 1.044 260 I HN 0.242 nan 8.210 nan 0.000 0.408 261 P HA -0.149 nan 4.420 nan 0.000 0.218 261 P C 1.916 179.096 177.300 -0.199 0.000 1.149 261 P CA 1.528 64.567 63.100 -0.100 0.000 0.817 261 P CB 0.014 31.661 31.700 -0.089 0.000 0.785 262 L N -0.834 120.221 121.223 -0.279 0.000 2.072 262 L HA -0.098 4.876 4.340 1.056 0.000 0.205 262 L C 2.782 179.162 176.870 -0.817 0.000 1.079 262 L CA 1.056 55.519 54.840 -0.628 0.000 0.752 262 L CB -1.078 40.669 42.059 -0.519 0.000 0.906 262 L HN -0.187 nan 8.230 nan 0.000 0.436 263 V N 0.028 119.745 119.914 -0.329 0.000 2.287 263 V HA -0.313 4.440 4.120 1.056 0.000 0.248 263 V C 2.640 178.656 176.094 -0.130 0.000 1.053 263 V CA 1.861 64.097 62.300 -0.106 0.000 1.027 263 V CB -0.616 31.328 31.823 0.201 0.000 0.646 263 V HN 0.407 nan 8.190 nan 0.000 0.447 264 R N 0.690 121.151 120.500 -0.065 0.000 2.081 264 R HA -0.153 4.820 4.340 1.056 0.000 0.235 264 R C 2.634 178.880 176.300 -0.090 0.000 1.131 264 R CA 1.758 57.836 56.100 -0.035 0.000 0.960 264 R CB -0.609 29.702 30.300 0.018 0.000 0.856 264 R HN 0.712 nan 8.270 nan 0.000 0.436 265 S N 0.369 115.963 115.700 -0.177 0.000 2.382 265 S HA -0.116 4.987 4.470 1.056 0.000 0.228 265 S C 1.749 176.375 174.600 0.043 0.000 1.027 265 S CA 0.981 59.117 58.200 -0.106 0.000 0.991 265 S CB -0.336 62.763 63.200 -0.167 0.000 0.823 265 S HN 0.144 nan 8.310 nan 0.000 0.469 266 F N 2.276 122.081 119.950 -0.241 0.000 2.367 266 F HA 0.438 5.597 4.527 1.053 0.000 0.298 266 F C 2.764 178.381 175.800 -0.306 0.000 1.094 266 F CA -0.474 57.291 58.000 -0.392 0.000 1.409 266 F CB -1.381 36.964 39.000 -1.091 0.000 1.064 266 F HN 0.361 nan 8.300 nan 0.000 0.528 267 A N 0.215 123.020 122.820 -0.025 0.000 1.970 267 A HA -0.133 4.821 4.320 1.056 0.000 0.216 267 A C 1.989 179.569 177.584 -0.006 0.000 1.170 267 A CA 1.403 53.448 52.037 0.014 0.000 0.645 267 A CB -0.926 18.071 19.000 -0.004 0.000 0.816 267 A HN 0.428 nan 8.150 nan 0.000 0.447 268 N N -0.979 117.718 118.700 -0.004 0.000 2.354 268 N HA 0.003 5.376 4.740 1.056 0.000 0.179 268 N C 0.184 175.693 175.510 -0.003 0.000 1.021 268 N CA 0.757 53.803 53.050 -0.007 0.000 0.887 268 N CB 0.135 38.618 38.487 -0.006 0.000 0.974 268 N HN 0.299 nan 8.380 nan 0.000 0.437 269 S N -0.769 114.942 115.700 0.018 0.000 2.736 269 S HA 0.214 5.317 4.470 1.056 0.000 0.285 269 S C 0.577 175.169 174.600 -0.015 0.000 1.163 269 S CA -0.725 57.475 58.200 0.000 0.000 1.025 269 S CB 1.395 64.606 63.200 0.018 0.000 1.030 269 S HN -0.027 nan 8.310 nan 0.000 0.486 270 T N 3.854 118.343 114.554 -0.108 0.000 2.720 270 T HA -0.159 4.824 4.350 1.056 0.000 0.268 270 T C 1.799 176.292 174.700 -0.345 0.000 1.037 270 T CA 1.796 63.727 62.100 -0.282 0.000 1.144 270 T CB -0.266 68.330 68.868 -0.453 0.000 0.864 270 T HN 0.767 nan 8.240 nan 0.000 0.444 271 Q N 0.295 119.975 119.800 -0.200 0.000 2.050 271 Q HA -0.152 4.821 4.340 1.056 0.000 0.202 271 Q C 2.267 178.252 176.000 -0.025 0.000 0.980 271 Q CA 1.749 57.490 55.803 -0.104 0.000 0.840 271 Q CB -0.255 28.453 28.738 -0.051 0.000 0.898 271 Q HN 0.438 nan 8.270 nan 0.000 0.424 272 T N 0.879 115.443 114.554 0.017 0.000 2.746 272 T HA -0.160 4.824 4.350 1.056 0.000 0.267 272 T C 1.285 175.997 174.700 0.019 0.000 1.039 272 T CA 1.336 63.486 62.100 0.084 0.000 1.142 272 T CB -0.445 68.529 68.868 0.177 0.000 0.866 272 T HN 0.363 nan 8.240 nan 0.000 0.444 273 F N 1.689 121.510 119.950 -0.214 0.000 2.075 273 F HA -0.008 5.152 4.527 1.054 0.000 0.297 273 F C 1.771 177.491 175.800 -0.134 0.000 1.113 273 F CA 0.693 58.373 58.000 -0.533 0.000 1.218 273 F CB -0.839 37.972 39.000 -0.315 0.000 0.984 273 F HN 0.052 nan 8.300 nan 0.000 0.472 274 F N 1.431 121.073 119.950 -0.514 0.000 2.126 274 F HA -0.233 4.927 4.527 1.055 0.000 0.299 274 F C 2.381 177.955 175.800 -0.377 0.000 1.096 274 F CA 1.426 59.117 58.000 -0.514 0.000 1.255 274 F CB -1.663 37.190 39.000 -0.245 0.000 0.997 274 F HN 0.086 nan 8.300 nan 0.000 0.479 275 N N 0.218 118.880 118.700 -0.064 0.000 2.084 275 N HA -0.129 5.245 4.740 1.056 0.000 0.190 275 N C 2.070 177.479 175.510 -0.169 0.000 1.030 275 N CA 1.516 54.501 53.050 -0.109 0.000 0.849 275 N CB -0.782 37.679 38.487 -0.044 0.000 1.012 275 N HN 0.236 nan 8.380 nan 0.000 0.423 276 A N 0.221 122.934 122.820 -0.178 0.000 1.930 276 A HA -0.100 4.854 4.320 1.056 0.000 0.217 276 A C 2.107 179.576 177.584 -0.192 0.000 1.175 276 A CA 0.834 52.780 52.037 -0.152 0.000 0.627 276 A CB -0.857 18.019 19.000 -0.208 0.000 0.815 276 A HN 0.285 nan 8.150 nan 0.000 0.443 277 F N 0.497 120.167 119.950 -0.466 0.000 2.146 277 F HA -0.119 5.040 4.527 1.052 0.000 0.298 277 F C 2.230 177.732 175.800 -0.497 0.000 1.096 277 F CA 1.799 59.532 58.000 -0.445 0.000 1.275 277 F CB -0.184 38.405 39.000 -0.685 0.000 1.008 277 F HN 0.027 nan 8.300 nan 0.000 0.480 278 V N 0.285 119.824 119.914 -0.624 0.000 2.358 278 V HA -0.291 4.463 4.120 1.056 0.000 0.246 278 V C 2.360 178.056 176.094 -0.663 0.000 1.047 278 V CA 2.216 63.891 62.300 -1.041 0.000 1.035 278 V CB -0.692 30.484 31.823 -1.077 0.000 0.658 278 V HN 0.404 nan 8.190 nan 0.000 0.452 279 E N 0.234 120.193 120.200 -0.400 0.000 2.051 279 E HA -0.232 4.751 4.350 1.056 0.000 0.192 279 E C 2.219 178.703 176.600 -0.193 0.000 0.991 279 E CA 1.487 57.748 56.400 -0.231 0.000 0.799 279 E CB -0.238 29.382 29.700 -0.132 0.000 0.748 279 E HN 0.565 nan 8.360 nan 0.000 0.449 280 A N 0.670 123.361 122.820 -0.216 0.000 1.930 280 A HA -0.133 4.820 4.320 1.056 0.000 0.217 280 A C 2.163 179.627 177.584 -0.200 0.000 1.175 280 A CA 1.185 53.135 52.037 -0.146 0.000 0.627 280 A CB -0.331 18.616 19.000 -0.089 0.000 0.815 280 A HN 0.272 nan 8.150 nan 0.000 0.443 281 M N 0.020 119.377 119.600 -0.406 0.000 2.117 281 M HA -0.136 4.977 4.480 1.056 0.000 0.262 281 M C 1.258 177.535 176.300 -0.038 0.000 1.065 281 M CA 1.485 56.610 55.300 -0.292 0.000 1.114 281 M CB -1.251 31.083 32.600 -0.444 0.000 1.361 281 M HN 0.337 nan 8.290 nan 0.000 0.408 282 D N -0.501 119.861 120.400 -0.062 0.000 2.183 282 D HA -0.073 5.200 4.640 1.056 0.000 0.203 282 D C 2.165 178.476 176.300 0.019 0.000 0.969 282 D CA 0.878 54.902 54.000 0.041 0.000 0.842 282 D CB -0.138 40.675 40.800 0.022 0.000 0.957 282 D HN 0.328 nan 8.370 nan 0.000 0.484 283 R N -0.042 120.447 120.500 -0.018 0.000 2.075 283 R HA 0.020 4.994 4.340 1.056 0.000 0.232 283 R C 2.331 178.629 176.300 -0.003 0.000 1.126 283 R CA 0.789 56.884 56.100 -0.009 0.000 0.963 283 R CB -0.222 30.074 30.300 -0.008 0.000 0.858 283 R HN 0.180 nan 8.270 nan 0.000 0.435 284 M N -0.051 119.553 119.600 0.008 0.000 2.159 284 M HA -0.059 5.055 4.480 1.056 0.000 0.263 284 M C 1.800 178.107 176.300 0.012 0.000 1.063 284 M CA 2.015 57.323 55.300 0.014 0.000 1.110 284 M CB -0.117 32.520 32.600 0.061 0.000 1.374 284 M HN 0.241 nan 8.290 nan 0.000 0.411 285 G N -0.124 108.723 108.800 0.077 0.000 2.679 285 G HA2 -0.195 4.399 3.960 1.056 0.000 0.212 285 G HA3 -0.195 4.399 3.960 1.056 0.000 0.212 285 G C 1.036 175.972 174.900 0.060 0.000 1.137 285 G CA 0.573 45.754 45.100 0.134 0.000 0.787 285 G HN 0.681 nan 8.290 nan 0.000 0.534 286 N N -0.159 118.552 118.700 0.018 0.000 2.230 286 N HA 0.170 5.544 4.740 1.056 0.000 0.202 286 N C 0.051 175.539 175.510 -0.036 0.000 1.119 286 N CA -0.378 52.667 53.050 -0.008 0.000 0.851 286 N CB 0.104 38.585 38.487 -0.009 0.000 0.990 286 N HN 0.142 nan 8.380 nan 0.000 0.497 287 I N 2.280 122.818 120.570 -0.053 0.000 2.505 287 I HA -0.067 4.736 4.170 1.056 0.000 0.287 287 I C 0.626 176.691 176.117 -0.087 0.000 1.104 287 I CA 0.003 61.248 61.300 -0.093 0.000 1.387 287 I CB 0.580 38.492 38.000 -0.146 0.000 1.404 287 I HN 0.232 nan 8.210 nan 0.000 0.528 288 T N 4.563 119.064 114.554 -0.088 0.000 3.213 288 T HA -0.126 4.857 4.350 1.056 0.000 0.427 288 T C -1.973 172.686 174.700 -0.069 0.000 0.772 288 T CA -0.700 61.350 62.100 -0.083 0.000 2.150 288 T CB -1.828 66.974 68.868 -0.109 0.000 1.655 288 T HN 0.472 nan 8.240 nan 0.000 0.584 289 P HA 0.481 nan 4.420 nan 0.000 0.277 289 P C 0.288 177.562 177.300 -0.044 0.000 1.240 289 P CA -0.889 62.184 63.100 -0.046 0.000 0.798 289 P CB 1.009 32.679 31.700 -0.049 0.000 0.979 290 L N 2.205 123.407 121.223 -0.034 0.000 2.312 290 L HA 0.440 5.413 4.340 1.056 0.000 0.281 290 L C 1.197 178.042 176.870 -0.043 0.000 1.070 290 L CA 0.037 54.862 54.840 -0.026 0.000 0.805 290 L CB 1.218 43.273 42.059 -0.006 0.000 1.174 290 L HN 0.578 nan 8.230 nan 0.000 0.434 291 T N -1.131 113.400 114.554 -0.038 0.000 2.778 291 T HA 0.746 5.730 4.350 1.056 0.000 0.293 291 T C 0.484 175.175 174.700 -0.016 0.000 1.144 291 T CA -0.052 62.016 62.100 -0.054 0.000 1.010 291 T CB 1.750 70.579 68.868 -0.066 0.000 1.325 291 T HN 0.863 nan 8.240 nan 0.000 0.515 292 G N 1.305 110.106 108.800 0.001 0.000 2.677 292 G HA2 -0.358 4.235 3.960 1.056 0.000 0.321 292 G HA3 -0.358 4.235 3.960 1.056 0.000 0.321 292 G C 0.990 175.917 174.900 0.046 0.000 1.181 292 G CA 1.957 47.080 45.100 0.038 0.000 0.965 292 G HN 2.104 nan 8.290 nan 0.000 0.548 293 T N -0.934 113.640 114.554 0.033 0.000 3.044 293 T HA 0.480 5.463 4.350 1.056 0.000 0.260 293 T C 0.785 175.502 174.700 0.027 0.000 1.019 293 T CA 0.955 63.076 62.100 0.035 0.000 0.921 293 T CB 0.300 69.186 68.868 0.030 0.000 1.053 293 T HN 0.745 nan 8.240 nan 0.000 0.533 294 Q N 1.545 121.356 119.800 0.020 0.000 2.314 294 Q HA 0.505 5.478 4.340 1.056 0.000 0.258 294 Q C 1.089 177.101 176.000 0.020 0.000 0.954 294 Q CA 0.308 56.120 55.803 0.016 0.000 0.890 294 Q CB 0.777 29.519 28.738 0.007 0.000 1.210 294 Q HN 0.578 nan 8.270 nan 0.000 0.410 295 G N 1.831 110.645 108.800 0.023 0.000 2.645 295 G HA2 -0.283 4.311 3.960 1.056 0.000 0.246 295 G HA3 -0.283 4.311 3.960 1.056 0.000 0.246 295 G C -0.711 174.208 174.900 0.032 0.000 1.322 295 G CA -0.186 44.931 45.100 0.027 0.000 0.898 295 G HN 0.649 nan 8.290 nan 0.000 0.573 296 Q N -1.479 118.343 119.800 0.036 0.000 2.882 296 Q HA 0.725 5.698 4.340 1.056 0.000 0.315 296 Q C -0.687 175.344 176.000 0.052 0.000 1.004 296 Q CA -1.167 54.662 55.803 0.043 0.000 0.777 296 Q CB 1.794 30.556 28.738 0.039 0.000 1.506 296 Q HN 0.453 nan 8.270 nan 0.000 0.489 297 I N 1.918 122.523 120.570 0.059 0.000 2.361 297 I HA 0.279 5.082 4.170 1.056 0.000 0.282 297 I C -0.076 176.071 176.117 0.050 0.000 1.075 297 I CA -0.272 61.069 61.300 0.068 0.000 1.205 297 I CB 0.416 38.468 38.000 0.086 0.000 1.406 297 I HN 0.539 nan 8.210 nan 0.000 0.481 298 R N 4.763 125.290 120.500 0.045 0.000 2.522 298 R HA 0.125 5.098 4.340 1.056 0.000 0.284 298 R C 0.815 177.133 176.300 0.031 0.000 1.032 298 R CA 0.028 56.150 56.100 0.037 0.000 1.049 298 R CB 0.815 31.138 30.300 0.040 0.000 0.956 298 R HN 0.583 nan 8.270 nan 0.000 0.422 299 L N 2.266 123.504 121.223 0.026 0.000 2.162 299 L HA 0.035 5.008 4.340 1.056 0.000 0.205 299 L C 0.812 177.692 176.870 0.017 0.000 1.086 299 L CA 0.471 55.322 54.840 0.018 0.000 0.778 299 L CB -0.217 41.852 42.059 0.016 0.000 0.928 299 L HN 0.565 nan 8.230 nan 0.000 0.446 300 N N -0.744 117.968 118.700 0.020 0.000 2.483 300 N HA 0.123 5.497 4.740 1.056 0.000 0.267 300 N C 0.440 175.967 175.510 0.029 0.000 0.998 300 N CA -0.437 52.625 53.050 0.021 0.000 0.918 300 N CB 1.484 39.980 38.487 0.015 0.000 1.215 300 N HN -0.027 nan 8.380 nan 0.000 0.500 301 c N 2.506 121.127 118.600 0.035 0.000 2.409 301 c HA -0.006 5.197 4.570 1.056 0.000 0.288 301 c C 2.125 176.243 174.090 0.045 0.000 1.395 301 c CA 0.478 56.836 56.329 0.047 0.000 1.792 301 c CB -0.877 41.672 42.510 0.064 0.000 1.847 301 c HN 0.693 nan 8.230 nan 0.000 0.534 302 R N 0.332 120.851 120.500 0.032 0.000 2.240 302 R HA 0.100 5.073 4.340 1.056 0.000 0.203 302 R C 0.483 176.799 176.300 0.026 0.000 1.011 302 R CA 0.668 56.777 56.100 0.015 0.000 1.007 302 R CB 0.057 30.353 30.300 -0.005 0.000 0.911 302 R HN 0.566 nan 8.270 nan 0.000 0.468 303 V N -3.382 116.553 119.914 0.034 0.000 2.971 303 V HA 0.443 5.197 4.120 1.056 0.000 0.309 303 V C -0.029 176.097 176.094 0.053 0.000 1.130 303 V CA -1.297 61.030 62.300 0.044 0.000 0.964 303 V CB 2.141 33.973 31.823 0.015 0.000 1.029 303 V HN -0.296 nan 8.190 nan 0.000 0.427 304 V N 3.173 123.133 119.914 0.076 0.000 2.715 304 V HA 0.224 4.977 4.120 1.056 0.000 0.299 304 V C 0.691 176.810 176.094 0.042 0.000 1.054 304 V CA -0.250 62.089 62.300 0.066 0.000 1.077 304 V CB 0.523 32.401 31.823 0.092 0.000 0.972 304 V HN 0.998 nan 8.190 nan 0.000 0.484 305 N N 2.435 121.157 118.700 0.035 0.000 2.441 305 N HA 0.181 5.554 4.740 1.056 0.000 0.251 305 N C 0.107 175.631 175.510 0.023 0.000 1.242 305 N CA 0.074 53.140 53.050 0.026 0.000 0.898 305 N CB 0.869 39.372 38.487 0.026 0.000 1.100 305 N HN 0.934 nan 8.380 nan 0.000 0.443 306 S N 0.000 115.709 115.700 0.016 0.000 2.498 306 S HA 0.000 5.103 4.470 1.056 0.000 0.327 306 S CA 0.000 58.207 58.200 0.011 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