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 1atj_1_F 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 0.000 175.989 176.000 -0.018 0.000 1.003 1 Q CA 0.000 55.800 55.803 -0.005 0.000 1.022 1 Q CB 0.000 28.730 28.738 -0.014 0.000 1.108 2 L N 1.555 122.757 121.223 -0.035 0.000 2.326 2 L HA 0.200 nan 4.340 nan 0.000 0.278 2 L C -0.646 176.212 176.870 -0.020 0.000 1.092 2 L CA -0.022 54.778 54.840 -0.068 0.000 0.810 2 L CB 0.616 42.631 42.059 -0.073 0.000 1.153 2 L HN -0.379 7.835 8.230 -0.027 0.000 0.439 3 T N 2.891 117.441 114.554 -0.006 0.000 2.893 3 T HA 0.476 nan 4.350 nan 0.000 0.293 3 T C -1.322 173.398 174.700 0.035 0.000 1.027 3 T CA -2.613 59.508 62.100 0.036 0.000 0.988 3 T CB 1.789 70.702 68.868 0.074 0.000 1.043 3 T HN 0.022 8.233 8.240 -0.047 0.000 0.461 4 P HA 0.004 nan 4.420 nan 0.000 0.226 4 P C -0.346 176.980 177.300 0.043 0.000 1.153 4 P CA 1.406 64.525 63.100 0.032 0.000 0.777 4 P CB 0.405 32.127 31.700 0.036 0.000 0.794 5 T N -6.343 108.239 114.554 0.046 0.000 3.186 5 T HA 0.178 nan 4.350 nan 0.000 0.257 5 T C 1.438 176.146 174.700 0.014 0.000 1.029 5 T CA -1.080 61.040 62.100 0.033 0.000 0.916 5 T CB -0.673 68.202 68.868 0.011 0.000 1.041 5 T HN -0.520 7.702 8.240 0.047 0.047 0.562 6 F N 4.024 123.865 119.950 -0.183 0.000 2.147 6 F HA -0.479 nan 4.527 nan 0.000 0.301 6 F C -0.343 175.229 175.800 -0.380 0.000 1.084 6 F CA 3.946 61.740 58.000 -0.344 0.000 1.268 6 F CB 0.354 39.014 39.000 -0.568 0.000 1.009 6 F HN -0.764 7.531 8.300 0.126 0.081 0.486 7 Y N -7.379 112.981 120.300 0.101 0.000 2.458 7 Y HA 0.059 nan 4.550 nan 0.000 0.256 7 Y C 0.824 176.709 175.900 -0.026 0.000 1.159 7 Y CA -1.152 56.959 58.100 0.017 0.000 1.261 7 Y CB -0.441 38.069 38.460 0.083 0.000 1.119 7 Y HN -0.352 7.940 8.280 0.054 0.020 0.524 8 D N 1.664 122.110 120.400 0.075 0.000 2.221 8 D HA -0.270 nan 4.640 nan 0.000 0.204 8 D C 0.852 177.160 176.300 0.014 0.000 0.982 8 D CA 3.442 57.467 54.000 0.041 0.000 0.857 8 D CB -0.557 40.253 40.800 0.016 0.000 0.934 8 D HN -0.101 8.112 8.370 0.032 0.176 0.475 9 N N -2.797 115.894 118.700 -0.014 0.000 2.454 9 N HA 0.016 nan 4.740 nan 0.000 0.177 9 N C 0.580 176.085 175.510 -0.008 0.000 1.049 9 N CA 1.273 54.310 53.050 -0.022 0.000 0.887 9 N CB 0.936 39.393 38.487 -0.049 0.000 1.095 9 N HN 0.098 8.424 8.380 -0.041 0.029 0.446 10 S N -1.555 114.148 115.700 0.005 0.000 2.406 10 S HA -0.003 nan 4.470 nan 0.000 0.224 10 S C 0.109 174.742 174.600 0.053 0.000 1.030 10 S CA 1.295 59.514 58.200 0.031 0.000 0.958 10 S CB 1.004 64.232 63.200 0.047 0.000 0.811 10 S HN -0.116 8.190 8.310 -0.005 0.000 0.489 11 c N 3.194 121.845 118.600 0.084 0.000 3.432 11 c HA 0.490 nan 4.570 nan 0.000 0.242 11 c C -1.657 172.453 174.090 0.034 0.000 1.152 11 c CA -2.314 54.031 56.329 0.026 0.000 1.242 11 c CB -0.035 42.447 42.510 -0.047 0.000 1.802 11 c HN 0.286 8.475 8.230 0.136 0.123 0.577 12 P HA -0.143 nan 4.420 nan 0.000 0.223 12 P C 0.114 177.417 177.300 0.006 0.000 1.144 12 P CA 2.088 65.203 63.100 0.025 0.000 0.783 12 P CB 0.148 31.856 31.700 0.013 0.000 0.771 13 N N -3.116 115.576 118.700 -0.012 0.000 2.236 13 N HA 0.173 nan 4.740 nan 0.000 0.196 13 N C 1.600 177.084 175.510 -0.043 0.000 1.114 13 N CA 0.252 53.287 53.050 -0.025 0.000 0.859 13 N CB 0.453 38.925 38.487 -0.026 0.000 0.982 13 N HN -0.134 8.181 8.380 -0.015 0.056 0.493 14 V N -1.240 118.638 119.914 -0.060 0.000 2.250 14 V HA -0.545 nan 4.120 nan 0.000 0.250 14 V C 1.310 177.357 176.094 -0.079 0.000 1.060 14 V CA 4.582 66.824 62.300 -0.097 0.000 1.030 14 V CB -1.196 30.531 31.823 -0.159 0.000 0.643 14 V HN -0.339 7.770 8.190 -0.048 0.052 0.445 15 S N -0.087 115.576 115.700 -0.060 0.000 2.399 15 S HA -0.449 nan 4.470 nan 0.000 0.231 15 S C 1.941 176.502 174.600 -0.065 0.000 1.022 15 S CA 4.078 62.236 58.200 -0.071 0.000 0.983 15 S CB -0.825 62.332 63.200 -0.070 0.000 0.803 15 S HN 0.294 8.579 8.310 -0.041 0.000 0.480 16 N N 2.878 121.548 118.700 -0.050 0.000 2.084 16 N HA -0.262 nan 4.740 nan 0.000 0.190 16 N C 2.056 177.540 175.510 -0.044 0.000 1.030 16 N CA 3.378 56.403 53.050 -0.042 0.000 0.849 16 N CB -0.070 38.398 38.487 -0.032 0.000 1.012 16 N HN -0.658 7.681 8.380 -0.044 0.014 0.423 17 I N 0.526 121.067 120.570 -0.048 0.000 2.163 17 I HA -0.538 nan 4.170 nan 0.000 0.243 17 I C 1.612 177.699 176.117 -0.051 0.000 1.085 17 I CA 4.589 65.861 61.300 -0.047 0.000 1.347 17 I CB -0.321 37.648 38.000 -0.053 0.000 1.044 17 I HN -0.059 8.121 8.210 -0.050 0.000 0.408 18 V N 0.141 120.017 119.914 -0.063 0.000 2.295 18 V HA -0.503 nan 4.120 nan 0.000 0.246 18 V C 1.855 177.912 176.094 -0.061 0.000 1.049 18 V CA 4.624 66.884 62.300 -0.068 0.000 1.024 18 V CB -1.120 30.651 31.823 -0.087 0.000 0.648 18 V HN 0.314 8.462 8.190 -0.070 0.000 0.447 19 R N -0.686 119.776 120.500 -0.063 0.000 2.083 19 R HA -0.473 nan 4.340 nan 0.000 0.237 19 R C 1.737 178.013 176.300 -0.039 0.000 1.137 19 R CA 3.855 59.922 56.100 -0.055 0.000 0.951 19 R CB -0.281 29.986 30.300 -0.055 0.000 0.851 19 R HN 0.413 8.533 8.270 -0.067 0.110 0.434 20 D N -1.593 118.786 120.400 -0.035 0.000 2.144 20 D HA -0.217 nan 4.640 nan 0.000 0.199 20 D C 2.507 178.793 176.300 -0.024 0.000 0.984 20 D CA 3.295 57.279 54.000 -0.026 0.000 0.834 20 D CB -0.504 40.282 40.800 -0.024 0.000 0.955 20 D HN 0.228 8.575 8.370 -0.038 0.000 0.465 21 T N 2.845 117.381 114.554 -0.029 0.000 2.708 21 T HA -0.248 nan 4.350 nan 0.000 0.266 21 T C 2.093 176.779 174.700 -0.024 0.000 1.037 21 T CA 4.809 66.894 62.100 -0.025 0.000 1.146 21 T CB -0.355 68.495 68.868 -0.030 0.000 0.865 21 T HN -0.292 7.918 8.240 -0.034 0.009 0.435 22 I N 0.977 121.529 120.570 -0.029 0.000 2.202 22 I HA -0.466 nan 4.170 nan 0.000 0.242 22 I C 1.327 177.434 176.117 -0.016 0.000 1.091 22 I CA 4.569 65.854 61.300 -0.026 0.000 1.368 22 I CB -0.321 37.659 38.000 -0.033 0.000 1.058 22 I HN -0.291 7.824 8.210 -0.035 0.074 0.410 23 V N -0.223 119.682 119.914 -0.015 0.000 2.324 23 V HA -0.615 nan 4.120 nan 0.000 0.250 23 V C 1.971 178.062 176.094 -0.005 0.000 1.060 23 V CA 4.826 67.122 62.300 -0.007 0.000 1.042 23 V CB -1.074 30.744 31.823 -0.008 0.000 0.650 23 V HN 0.280 8.458 8.190 -0.020 0.000 0.450 24 N N -1.939 116.756 118.700 -0.008 0.000 2.069 24 N HA -0.355 nan 4.740 nan 0.000 0.191 24 N C 2.092 177.599 175.510 -0.005 0.000 1.031 24 N CA 3.475 56.521 53.050 -0.006 0.000 0.852 24 N CB 0.113 38.595 38.487 -0.009 0.000 1.018 24 N HN -0.330 8.043 8.380 -0.012 -0.001 0.423 25 E N -0.142 120.053 120.200 -0.009 0.000 2.106 25 E HA -0.258 nan 4.350 nan 0.000 0.192 25 E C 2.483 179.080 176.600 -0.006 0.000 0.984 25 E CA 2.100 58.494 56.400 -0.009 0.000 0.806 25 E CB -0.185 29.505 29.700 -0.016 0.000 0.750 25 E HN -0.455 7.818 8.360 -0.012 0.080 0.458 26 L N -1.504 119.717 121.223 -0.004 0.000 2.129 26 L HA -0.311 nan 4.340 nan 0.000 0.212 26 L C 1.905 178.778 176.870 0.006 0.000 1.087 26 L CA 2.977 57.818 54.840 0.003 0.000 0.757 26 L CB -0.378 41.687 42.059 0.011 0.000 0.896 26 L HN 0.283 8.497 8.230 -0.005 0.012 0.434 27 R N -2.593 117.910 120.500 0.005 0.000 2.120 27 R HA -0.252 nan 4.340 nan 0.000 0.234 27 R C 1.058 177.362 176.300 0.006 0.000 1.123 27 R CA 2.624 58.728 56.100 0.007 0.000 0.975 27 R CB 0.222 30.526 30.300 0.005 0.000 0.866 27 R HN -0.282 7.975 8.270 0.003 0.015 0.446 28 S N -2.982 112.720 115.700 0.003 0.000 2.497 28 S HA 0.047 nan 4.470 nan 0.000 0.221 28 S C -0.273 174.328 174.600 0.002 0.000 1.037 28 S CA 1.447 59.648 58.200 0.003 0.000 0.920 28 S CB 1.298 64.500 63.200 0.002 0.000 0.800 28 S HN -0.530 7.651 8.310 0.001 0.130 0.505 29 D N 0.865 121.263 120.400 -0.002 0.000 2.375 29 D HA 0.472 nan 4.640 nan 0.000 0.259 29 D C -1.412 174.882 176.300 -0.010 0.000 1.235 29 D CA -2.746 51.250 54.000 -0.007 0.000 0.924 29 D CB 1.332 42.123 40.800 -0.014 0.000 1.143 29 D HN -0.039 8.226 8.370 -0.003 0.104 0.529 30 P HA -0.129 nan 4.420 nan 0.000 0.228 30 P C 0.243 177.533 177.300 -0.016 0.000 1.151 30 P CA 1.126 64.228 63.100 0.004 0.000 0.770 30 P CB 0.250 31.960 31.700 0.017 0.000 0.786 31 R N -1.972 118.507 120.500 -0.036 0.000 2.276 31 R HA -0.015 nan 4.340 nan 0.000 0.196 31 R C 1.389 177.618 176.300 -0.117 0.000 0.961 31 R CA 1.062 57.115 56.100 -0.078 0.000 1.024 31 R CB 0.276 30.545 30.300 -0.052 0.000 0.940 31 R HN -0.657 7.739 8.270 -0.025 -0.141 0.480 32 I N 0.456 120.977 120.570 -0.081 0.000 2.236 32 I HA -0.485 nan 4.170 nan 0.000 0.249 32 I C 0.273 176.326 176.117 -0.108 0.000 1.102 32 I CA 1.941 63.190 61.300 -0.086 0.000 1.365 32 I CB -0.235 37.732 38.000 -0.054 0.000 1.051 32 I HN -0.214 7.808 8.210 -0.053 0.156 0.420 33 A N -2.060 120.699 122.820 -0.101 0.000 1.902 33 A HA -0.324 nan 4.320 nan 0.000 0.217 33 A C 1.677 179.138 177.584 -0.205 0.000 1.181 33 A CA 3.198 55.194 52.037 -0.068 0.000 0.623 33 A CB -1.239 17.802 19.000 0.069 0.000 0.818 33 A HN 0.188 8.289 8.150 -0.083 0.000 0.443 34 A N -1.282 121.194 122.820 -0.572 0.000 1.877 34 A HA -0.312 nan 4.320 nan 0.000 0.216 34 A C 2.304 179.704 177.584 -0.307 0.000 1.186 34 A CA 3.004 54.526 52.037 -0.859 0.000 0.620 34 A CB -1.016 17.389 19.000 -0.992 0.000 0.822 34 A HN -0.395 7.444 8.150 -0.520 0.000 0.443 35 S N -0.331 115.236 115.700 -0.222 0.000 2.359 35 S HA -0.354 nan 4.470 nan 0.000 0.224 35 S C 2.324 176.843 174.600 -0.136 0.000 1.035 35 S CA 4.145 62.251 58.200 -0.156 0.000 1.018 35 S CB -0.317 62.791 63.200 -0.152 0.000 0.876 35 S HN -0.551 7.618 8.310 -0.235 0.000 0.448 36 I N 1.355 121.858 120.570 -0.111 0.000 2.226 36 I HA -0.448 nan 4.170 nan 0.000 0.245 36 I C 1.505 177.630 176.117 0.013 0.000 1.100 36 I CA 3.767 65.026 61.300 -0.068 0.000 1.374 36 I CB -0.121 37.844 38.000 -0.059 0.000 1.057 36 I HN -0.112 8.026 8.210 -0.120 0.000 0.413 37 L N -0.342 120.917 121.223 0.061 0.000 2.042 37 L HA -0.413 nan 4.340 nan 0.000 0.210 37 L C 1.401 178.381 176.870 0.183 0.000 1.076 37 L CA 3.413 58.360 54.840 0.179 0.000 0.749 37 L CB -0.606 41.631 42.059 0.296 0.000 0.893 37 L HN -0.394 7.851 8.230 0.025 0.000 0.432 38 R N -1.129 119.420 120.500 0.081 0.000 2.096 38 R HA -0.337 nan 4.340 nan 0.000 0.235 38 R C 2.455 178.725 176.300 -0.050 0.000 1.127 38 R CA 3.547 59.671 56.100 0.040 0.000 0.968 38 R CB -0.233 30.019 30.300 -0.079 0.000 0.861 38 R HN -0.355 7.930 8.270 0.025 0.000 0.440 39 L N -1.560 119.629 121.223 -0.058 0.000 2.046 39 L HA -0.462 nan 4.340 nan 0.000 0.208 39 L C 1.818 178.748 176.870 0.100 0.000 1.077 39 L CA 3.239 58.056 54.840 -0.038 0.000 0.747 39 L CB -0.580 41.428 42.059 -0.085 0.000 0.896 39 L HN -0.210 7.897 8.230 -0.066 0.084 0.432 40 H N 0.302 119.407 119.070 0.058 0.000 2.321 40 H HA -0.394 nan 4.556 nan 0.000 0.300 40 H C 1.993 177.426 175.328 0.174 0.000 1.087 40 H CA 3.800 59.909 56.048 0.101 0.000 1.319 40 H CB 0.710 30.529 29.762 0.096 0.000 1.379 40 H HN -0.496 7.918 8.280 0.224 0.000 0.501 41 F N 0.658 120.585 119.950 -0.038 0.000 2.069 41 F HA -0.459 nan 4.527 nan 0.000 0.298 41 F C 1.501 177.309 175.800 0.013 0.000 1.113 41 F CA 2.866 60.815 58.000 -0.085 0.000 1.214 41 F CB -0.589 38.367 39.000 -0.073 0.000 0.978 41 F HN -0.265 8.238 8.300 0.339 0.000 0.474 42 H N -2.450 116.347 119.070 -0.454 0.000 2.491 42 H HA -0.318 nan 4.556 nan 0.000 0.290 42 H C 1.786 176.993 175.328 -0.203 0.000 1.050 42 H CA 2.064 57.815 56.048 -0.494 0.000 1.309 42 H CB 0.062 29.645 29.762 -0.298 0.000 1.392 42 H HN -0.004 8.266 8.280 -0.017 0.000 0.554 43 D N -0.739 119.674 120.400 0.021 0.000 2.091 43 D HA -0.109 nan 4.640 nan 0.000 0.199 43 D C 2.323 178.622 176.300 -0.003 0.000 0.980 43 D CA 2.531 56.551 54.000 0.034 0.000 0.831 43 D CB 0.442 41.285 40.800 0.072 0.000 0.987 43 D HN -0.213 7.940 8.370 0.032 0.236 0.460 44 c N 0.004 118.573 118.600 -0.051 0.000 2.422 44 c HA -0.242 nan 4.570 nan 0.000 0.279 44 c C 2.502 176.617 174.090 0.042 0.000 1.305 44 c CA 3.750 60.062 56.329 -0.028 0.000 1.757 44 c CB -1.285 41.170 42.510 -0.092 0.000 1.962 44 c HN 0.126 8.285 8.230 -0.119 0.000 0.499 45 F N -2.072 117.755 119.950 -0.204 0.000 2.661 45 F HA -0.100 nan 4.527 nan 0.000 0.298 45 F C -0.264 175.422 175.800 -0.190 0.000 1.137 45 F CA 1.905 59.773 58.000 -0.221 0.000 1.454 45 F CB 0.393 39.193 39.000 -0.333 0.000 1.103 45 F HN -0.660 7.716 8.300 0.160 0.020 0.577 46 V N 0.981 120.885 119.914 -0.015 0.000 2.284 46 V HA 0.065 nan 4.120 nan 0.000 0.274 46 V C -1.119 174.927 176.094 -0.079 0.000 1.023 46 V CA -1.664 60.609 62.300 -0.045 0.000 0.808 46 V CB -1.258 30.567 31.823 0.004 0.000 1.035 46 V HN -0.660 7.480 8.190 0.002 0.051 0.445 47 N N 2.682 121.266 118.700 -0.193 0.000 2.741 47 N HA -0.322 nan 4.740 nan 0.000 0.250 47 N C -0.063 175.358 175.510 -0.149 0.000 1.115 47 N CA 0.853 53.742 53.050 -0.268 0.000 0.724 47 N CB -0.354 37.804 38.487 -0.550 0.000 1.090 47 N HN 0.623 8.884 8.380 -0.199 0.000 0.558 48 G N -4.748 103.984 108.800 -0.113 0.000 2.796 48 G HA2 -0.421 nan 3.960 nan 0.000 0.571 48 G HA3 -0.421 nan 3.960 nan 0.000 0.571 48 G C -0.632 174.251 174.900 -0.027 0.000 1.370 48 G CA -0.352 44.703 45.100 -0.075 0.000 0.856 48 G HN -0.750 7.441 8.290 -0.130 0.021 0.538 49 c N 2.807 121.401 118.600 -0.011 0.000 2.305 49 c HA 0.010 nan 4.570 nan 0.000 0.378 49 c C -0.323 173.795 174.090 0.046 0.000 1.047 49 c CA -0.982 55.365 56.329 0.031 0.000 1.385 49 c CB -2.748 39.808 42.510 0.076 0.000 1.825 49 c HN 0.164 8.383 8.230 -0.018 0.000 0.508 50 D N 1.296 121.728 120.400 0.053 0.000 2.556 50 D HA -0.025 nan 4.640 nan 0.000 0.237 50 D C -0.233 176.104 176.300 0.061 0.000 1.296 50 D CA -1.489 52.544 54.000 0.055 0.000 0.807 50 D CB -0.109 40.730 40.800 0.066 0.000 1.084 50 D HN -0.353 8.223 8.370 0.056 -0.172 0.510 51 A N -1.880 120.984 122.820 0.074 0.000 2.847 51 A HA -0.448 nan 4.320 nan 0.000 0.263 51 A C 1.199 178.813 177.584 0.049 0.000 1.391 51 A CA 1.512 53.593 52.037 0.073 0.000 0.866 51 A CB -2.228 16.809 19.000 0.062 0.000 1.057 51 A HN 0.036 8.541 8.150 0.084 -0.304 0.673 52 S N -0.955 114.775 115.700 0.050 0.000 2.399 52 S HA -0.276 nan 4.470 nan 0.000 0.231 52 S C 1.764 176.351 174.600 -0.023 0.000 1.022 52 S CA 2.795 60.985 58.200 -0.016 0.000 0.983 52 S CB 0.072 63.320 63.200 0.080 0.000 0.803 52 S HN -0.086 8.609 8.310 0.078 -0.339 0.480 53 I N 0.241 120.842 120.570 0.053 0.000 2.700 53 I HA -0.302 nan 4.170 nan 0.000 0.261 53 I C -0.083 176.092 176.117 0.096 0.000 1.219 53 I CA 1.816 63.168 61.300 0.085 0.000 1.463 53 I CB -0.087 38.007 38.000 0.156 0.000 1.092 53 I HN -0.756 7.483 8.210 0.077 0.018 0.452 54 L N -3.758 117.518 121.223 0.089 0.000 2.509 54 L HA -0.085 nan 4.340 nan 0.000 0.222 54 L C -0.068 176.793 176.870 -0.014 0.000 1.123 54 L CA 0.042 54.932 54.840 0.083 0.000 0.856 54 L CB 0.304 42.437 42.059 0.124 0.000 0.985 54 L HN -0.832 7.273 8.230 0.073 0.168 0.456 55 L N -0.961 120.250 121.223 -0.020 0.000 2.416 55 L HA -0.202 nan 4.340 nan 0.000 0.272 55 L C -0.622 176.250 176.870 0.004 0.000 1.161 55 L CA 0.243 55.091 54.840 0.014 0.000 0.845 55 L CB 0.165 42.248 42.059 0.039 0.000 1.119 55 L HN -0.939 7.233 8.230 -0.027 0.041 0.464 56 D N 3.426 123.830 120.400 0.006 0.000 2.388 56 D HA 0.053 nan 4.640 nan 0.000 0.254 56 D C -1.055 175.243 176.300 -0.003 0.000 1.111 56 D CA -0.626 53.351 54.000 -0.039 0.000 0.993 56 D CB 1.320 42.080 40.800 -0.068 0.000 1.118 56 D HN -0.182 8.202 8.370 0.022 0.000 0.502 57 N N -1.582 117.087 118.700 -0.052 0.000 2.345 57 N HA -0.150 nan 4.740 nan 0.000 0.243 57 N C -0.140 175.233 175.510 -0.228 0.000 1.246 57 N CA 1.304 54.291 53.050 -0.104 0.000 0.863 57 N CB 0.552 38.983 38.487 -0.093 0.000 1.096 57 N HN -0.001 8.342 8.380 -0.062 0.000 0.446 58 T N -1.825 112.473 114.554 -0.426 0.000 2.804 58 T HA 0.407 nan 4.350 nan 0.000 0.290 58 T C 0.849 175.319 174.700 -0.382 0.000 1.099 58 T CA -0.512 61.295 62.100 -0.488 0.000 1.011 58 T CB 1.959 70.322 68.868 -0.843 0.000 1.291 58 T HN 0.221 8.195 8.240 -0.444 0.000 0.523 59 T N -5.723 108.658 114.554 -0.290 0.000 3.085 59 T HA 0.136 nan 4.350 nan 0.000 0.263 59 T C 0.569 175.155 174.700 -0.191 0.000 1.127 59 T CA 1.308 63.294 62.100 -0.190 0.000 1.103 59 T CB -0.294 68.497 68.868 -0.128 0.000 0.921 59 T HN 0.338 8.413 8.240 -0.274 0.000 0.510 60 S N 2.159 117.681 115.700 -0.296 0.000 2.486 60 S HA -0.001 nan 4.470 nan 0.000 0.220 60 S C -0.753 173.792 174.600 -0.092 0.000 1.011 60 S CA 0.804 58.900 58.200 -0.174 0.000 0.921 60 S CB 1.174 64.312 63.200 -0.103 0.000 0.785 60 S HN -0.345 7.663 8.310 -0.441 0.037 0.517 61 F N -1.322 118.585 119.950 -0.072 0.000 2.665 61 F HA 0.204 nan 4.527 nan 0.000 0.308 61 F C -2.229 173.515 175.800 -0.094 0.000 1.112 61 F CA -1.284 56.661 58.000 -0.092 0.000 0.972 61 F CB 1.533 40.447 39.000 -0.143 0.000 1.295 61 F HN -0.621 7.132 8.300 -0.741 0.102 0.440 62 R N 0.567 121.175 120.500 0.179 0.000 2.441 62 R HA 0.290 nan 4.340 nan 0.000 0.284 62 R C -0.244 176.136 176.300 0.134 0.000 1.070 62 R CA -0.963 55.189 56.100 0.088 0.000 1.047 62 R CB 0.509 30.829 30.300 0.032 0.000 1.016 62 R HN 0.327 8.701 8.270 0.174 0.000 0.477 63 T N 2.374 116.968 114.554 0.066 0.000 2.919 63 T HA 0.095 nan 4.350 nan 0.000 0.302 63 T C 1.459 176.144 174.700 -0.024 0.000 1.031 63 T CA -0.590 61.526 62.100 0.027 0.000 1.127 63 T CB 1.021 69.873 68.868 -0.026 0.000 0.952 63 T HN -0.079 8.466 8.240 0.026 -0.290 0.540 64 E N 6.604 126.780 120.200 -0.041 0.000 2.418 64 E HA -0.213 nan 4.350 nan 0.000 0.197 64 E C 2.086 178.675 176.600 -0.018 0.000 1.026 64 E CA 2.699 59.078 56.400 -0.035 0.000 0.862 64 E CB -0.270 29.420 29.700 -0.016 0.000 0.799 64 E HN 0.717 9.046 8.360 -0.051 0.000 0.518 65 K N -1.209 119.170 120.400 -0.034 0.000 2.360 65 K HA -0.279 nan 4.320 nan 0.000 0.201 65 K C 0.660 177.266 176.600 0.011 0.000 1.046 65 K CA 2.307 58.586 56.287 -0.014 0.000 0.945 65 K CB -0.262 32.154 32.500 -0.140 0.000 0.750 65 K HN -0.581 7.580 8.250 -0.063 0.052 0.464 66 D N -3.483 116.904 120.400 -0.022 0.000 2.339 66 D HA 0.074 nan 4.640 nan 0.000 0.217 66 D C -0.157 176.091 176.300 -0.087 0.000 1.050 66 D CA -0.213 53.772 54.000 -0.024 0.000 0.856 66 D CB 0.361 41.141 40.800 -0.034 0.000 0.922 66 D HN -0.790 7.509 8.370 -0.038 0.048 0.518 67 A N -0.919 121.834 122.820 -0.112 0.000 2.466 67 A HA -0.080 nan 4.320 nan 0.000 0.238 67 A C 0.740 178.255 177.584 -0.115 0.000 1.074 67 A CA 0.572 52.469 52.037 -0.233 0.000 0.774 67 A CB 0.733 19.645 19.000 -0.147 0.000 1.015 67 A HN -0.321 7.603 8.150 -0.062 0.189 0.498 68 F N 0.847 120.838 119.950 0.067 0.000 2.161 68 F HA -0.341 nan 4.527 nan 0.000 0.300 68 F C 1.467 177.326 175.800 0.098 0.000 1.089 68 F CA 2.345 60.403 58.000 0.097 0.000 1.282 68 F CB -0.465 38.604 39.000 0.115 0.000 1.010 68 F HN 0.582 8.847 8.300 -0.656 -0.359 0.485 69 G N -4.650 104.258 108.800 0.181 0.000 2.985 69 G HA2 -0.073 nan 3.960 nan 0.000 0.209 69 G HA3 -0.073 nan 3.960 nan 0.000 0.209 69 G C -0.738 174.278 174.900 0.193 0.000 1.165 69 G CA -0.208 44.960 45.100 0.114 0.000 0.776 69 G HN 0.304 8.655 8.290 0.102 0.000 0.541 70 N N 0.427 119.233 118.700 0.176 0.000 2.516 70 N HA 0.074 nan 4.740 nan 0.000 0.197 70 N C -0.580 175.056 175.510 0.209 0.000 1.064 70 N CA -0.088 53.096 53.050 0.223 0.000 0.866 70 N CB 1.876 40.474 38.487 0.185 0.000 1.255 70 N HN -0.358 7.910 8.380 0.137 0.194 0.447 71 A N 1.799 124.728 122.820 0.181 0.000 2.566 71 A HA -0.165 nan 4.320 nan 0.000 0.245 71 A C -0.422 177.277 177.584 0.191 0.000 1.056 71 A CA 1.266 53.405 52.037 0.170 0.000 0.757 71 A CB -0.402 18.703 19.000 0.175 0.000 0.979 71 A HN 0.110 8.360 8.150 0.167 0.000 0.508 72 N N 1.326 120.123 118.700 0.162 0.000 2.714 72 N HA -0.324 nan 4.740 nan 0.000 0.252 72 N C -1.260 174.362 175.510 0.186 0.000 1.014 72 N CA 1.603 54.744 53.050 0.152 0.000 0.735 72 N CB -1.723 36.841 38.487 0.128 0.000 0.924 72 N HN 0.742 9.209 8.380 0.144 0.000 0.540 73 S N -3.026 112.791 115.700 0.196 0.000 4.257 73 S HA 0.041 nan 4.470 nan 0.000 0.208 73 S C -1.126 173.560 174.600 0.142 0.000 1.152 73 S CA 0.678 58.999 58.200 0.201 0.000 1.110 73 S CB 2.042 65.397 63.200 0.259 0.000 1.434 73 S HN -0.483 7.940 8.310 0.194 0.004 0.509 74 A N 2.554 125.470 122.820 0.161 0.000 2.498 74 A HA -0.064 nan 4.320 nan 0.000 0.239 74 A C -1.514 176.106 177.584 0.060 0.000 1.068 74 A CA 0.865 52.958 52.037 0.093 0.000 0.766 74 A CB 0.349 19.489 19.000 0.233 0.000 1.003 74 A HN -0.190 7.974 8.150 0.208 0.110 0.497 75 R N 2.116 122.498 120.500 -0.197 0.000 2.733 75 R HA 0.127 nan 4.340 nan 0.000 0.272 75 R C -0.876 175.151 176.300 -0.456 0.000 1.029 75 R CA -1.189 54.780 56.100 -0.218 0.000 0.888 75 R CB 1.486 31.752 30.300 -0.055 0.000 1.251 75 R HN -0.014 8.090 8.270 -0.278 0.000 0.464 76 G N -2.884 105.722 108.800 -0.323 0.000 2.192 76 G HA2 -0.218 nan 3.960 nan 0.000 0.193 76 G HA3 -0.218 nan 3.960 nan 0.000 0.193 76 G C 0.055 174.814 174.900 -0.233 0.000 0.999 76 G CA 0.018 44.955 45.100 -0.271 0.000 0.659 76 G HN 0.209 8.410 8.290 -0.148 0.000 0.503 77 F N 0.720 120.676 119.950 0.010 0.000 2.091 77 F HA -0.204 nan 4.527 nan 0.000 0.299 77 F C -0.848 174.956 175.800 0.006 0.000 1.103 77 F CA 4.120 62.126 58.000 0.011 0.000 1.228 77 F CB -2.397 36.612 39.000 0.015 0.000 0.984 77 F HN -0.054 7.925 8.300 -0.449 0.052 0.477 78 P HA -0.192 nan 4.420 nan 0.000 0.218 78 P C 1.041 178.373 177.300 0.054 0.000 1.149 78 P CA 3.024 66.183 63.100 0.099 0.000 0.817 78 P CB -0.647 31.098 31.700 0.076 0.000 0.785 79 V N -1.606 118.325 119.914 0.028 0.000 2.427 79 V HA -0.342 nan 4.120 nan 0.000 0.248 79 V C 2.012 178.108 176.094 0.004 0.000 1.051 79 V CA 4.045 66.346 62.300 0.002 0.000 1.048 79 V CB -0.882 30.926 31.823 -0.024 0.000 0.666 79 V HN -0.501 7.683 8.190 0.022 0.019 0.456 80 I N -0.537 120.043 120.570 0.018 0.000 2.252 80 I HA -0.482 nan 4.170 nan 0.000 0.245 80 I C 1.808 177.945 176.117 0.033 0.000 1.102 80 I CA 2.161 63.476 61.300 0.025 0.000 1.385 80 I CB -1.849 36.186 38.000 0.058 0.000 1.064 80 I HN -0.597 7.540 8.210 0.024 0.087 0.414 81 D N -0.032 120.399 120.400 0.052 0.000 2.123 81 D HA -0.318 nan 4.640 nan 0.000 0.196 81 D C 2.693 179.004 176.300 0.019 0.000 0.992 81 D CA 3.816 57.839 54.000 0.039 0.000 0.833 81 D CB -0.603 40.225 40.800 0.046 0.000 0.954 81 D HN -0.282 8.061 8.370 0.074 0.071 0.455 82 R N -0.325 120.184 120.500 0.015 0.000 2.073 82 R HA -0.299 nan 4.340 nan 0.000 0.234 82 R C 2.606 178.902 176.300 -0.007 0.000 1.134 82 R CA 3.275 59.377 56.100 0.003 0.000 0.952 82 R CB 0.140 30.441 30.300 0.002 0.000 0.850 82 R HN -0.160 8.051 8.270 0.021 0.071 0.433 83 M N -2.717 116.877 119.600 -0.011 0.000 2.229 83 M HA -0.170 nan 4.480 nan 0.000 0.264 83 M C 1.793 178.076 176.300 -0.027 0.000 1.063 83 M CA 3.446 58.732 55.300 -0.024 0.000 1.114 83 M CB -0.284 32.296 32.600 -0.034 0.000 1.387 83 M HN -0.018 8.268 8.290 -0.007 0.000 0.420 84 K N 0.697 121.088 120.400 -0.016 0.000 2.057 84 K HA -0.296 nan 4.320 nan 0.000 0.206 84 K C 1.806 178.395 176.600 -0.018 0.000 1.050 84 K CA 2.421 58.697 56.287 -0.018 0.000 0.935 84 K CB -0.579 31.919 32.500 -0.002 0.000 0.715 84 K HN 0.138 8.295 8.250 -0.006 0.089 0.439 85 A N -1.693 121.121 122.820 -0.010 0.000 1.902 85 A HA -0.241 nan 4.320 nan 0.000 0.217 85 A C 1.976 179.550 177.584 -0.017 0.000 1.181 85 A CA 3.018 55.049 52.037 -0.010 0.000 0.623 85 A CB -1.052 17.945 19.000 -0.005 0.000 0.818 85 A HN -0.054 8.093 8.150 -0.006 0.000 0.443 86 A N -2.508 120.300 122.820 -0.020 0.000 1.902 86 A HA -0.248 nan 4.320 nan 0.000 0.217 86 A C 1.987 179.550 177.584 -0.034 0.000 1.181 86 A CA 3.118 55.140 52.037 -0.025 0.000 0.623 86 A CB -0.420 18.564 19.000 -0.027 0.000 0.818 86 A HN -0.389 7.750 8.150 -0.019 0.000 0.443 87 V N -3.544 116.343 119.914 -0.045 0.000 2.719 87 V HA -0.218 nan 4.120 nan 0.000 0.252 87 V C 1.600 177.663 176.094 -0.052 0.000 1.065 87 V CA 3.103 65.366 62.300 -0.061 0.000 1.086 87 V CB -0.814 30.952 31.823 -0.096 0.000 0.700 87 V HN 0.125 8.216 8.190 -0.043 0.073 0.467 88 E N 1.256 121.434 120.200 -0.037 0.000 2.106 88 E HA -0.268 nan 4.350 nan 0.000 0.192 88 E C 2.032 178.619 176.600 -0.022 0.000 0.984 88 E CA 2.507 58.891 56.400 -0.026 0.000 0.806 88 E CB -0.673 29.017 29.700 -0.016 0.000 0.750 88 E HN 0.323 8.578 8.360 -0.033 0.086 0.458 89 S N -1.322 114.365 115.700 -0.021 0.000 2.382 89 S HA -0.210 nan 4.470 nan 0.000 0.228 89 S C 1.358 175.946 174.600 -0.019 0.000 1.027 89 S CA 2.146 60.336 58.200 -0.017 0.000 0.991 89 S CB 0.323 63.514 63.200 -0.016 0.000 0.823 89 S HN -0.214 8.075 8.310 -0.022 0.008 0.469 90 A N -0.142 122.662 122.820 -0.027 0.000 1.935 90 A HA -0.040 nan 4.320 nan 0.000 0.214 90 A C -0.384 177.184 177.584 -0.027 0.000 1.178 90 A CA 1.532 53.552 52.037 -0.028 0.000 0.640 90 A CB 1.215 20.194 19.000 -0.035 0.000 0.825 90 A HN -0.548 7.491 8.150 -0.032 0.092 0.447 91 c N -1.235 117.344 118.600 -0.035 0.000 3.328 91 c HA 0.443 nan 4.570 nan 0.000 0.230 91 c C -2.857 171.219 174.090 -0.023 0.000 1.232 91 c CA -2.682 53.629 56.329 -0.030 0.000 1.431 91 c CB -1.039 41.440 42.510 -0.051 0.000 1.818 91 c HN 0.132 8.232 8.230 -0.041 0.106 0.484 92 P HA -0.162 nan 4.420 nan 0.000 0.263 92 P C -0.733 176.570 177.300 0.005 0.000 1.175 92 P CA 1.078 64.175 63.100 -0.005 0.000 0.761 92 P CB 0.164 31.863 31.700 -0.001 0.000 0.794 93 R N 0.203 120.708 120.500 0.008 0.000 3.610 93 R HA -0.433 nan 4.340 nan 0.000 0.274 93 R C -0.140 176.186 176.300 0.043 0.000 1.123 93 R CA 1.646 57.760 56.100 0.023 0.000 0.747 93 R CB -2.790 27.526 30.300 0.026 0.000 1.149 93 R HN 0.703 9.335 8.270 0.003 -0.361 0.471 94 T N -6.464 108.111 114.554 0.034 0.000 2.987 94 T HA 0.158 nan 4.350 nan 0.000 0.248 94 T C -0.175 174.593 174.700 0.114 0.000 0.997 94 T CA 0.610 62.762 62.100 0.087 0.000 1.013 94 T CB 2.109 71.031 68.868 0.090 0.000 1.077 94 T HN -0.527 7.695 8.240 0.002 0.019 0.483 95 V N 4.809 124.690 119.914 -0.055 0.000 2.383 95 V HA 0.330 nan 4.120 nan 0.000 0.275 95 V C -1.237 174.851 176.094 -0.011 0.000 1.036 95 V CA -1.748 60.455 62.300 -0.162 0.000 0.889 95 V CB -0.388 31.169 31.823 -0.443 0.000 0.985 95 V HN -0.114 8.029 8.190 -0.078 0.000 0.459 96 S N 4.909 120.660 115.700 0.086 0.000 2.593 96 S HA 0.246 nan 4.470 nan 0.000 0.269 96 S C 1.388 176.008 174.600 0.033 0.000 1.334 96 S CA -0.340 57.899 58.200 0.064 0.000 1.015 96 S CB 1.469 64.718 63.200 0.081 0.000 0.912 96 S HN -0.304 8.127 8.310 0.201 0.000 0.541 97 c N 1.807 120.426 118.600 0.032 0.000 2.435 97 c HA -0.197 nan 4.570 nan 0.000 0.279 97 c C 1.878 175.995 174.090 0.045 0.000 1.321 97 c CA 3.756 60.104 56.329 0.032 0.000 1.752 97 c CB -2.031 40.503 42.510 0.041 0.000 1.959 97 c HN 0.577 9.169 8.230 0.035 -0.342 0.500 98 A N 0.282 123.133 122.820 0.053 0.000 1.883 98 A HA -0.364 nan 4.320 nan 0.000 0.217 98 A C 1.733 179.354 177.584 0.062 0.000 1.186 98 A CA 3.636 55.713 52.037 0.067 0.000 0.624 98 A CB -0.953 18.079 19.000 0.053 0.000 0.822 98 A HN 0.450 8.897 8.150 0.048 -0.268 0.444 99 D N -0.664 119.767 120.400 0.052 0.000 2.117 99 D HA -0.189 nan 4.640 nan 0.000 0.198 99 D C 2.105 178.409 176.300 0.007 0.000 0.982 99 D CA 3.098 57.133 54.000 0.058 0.000 0.828 99 D CB -0.206 40.703 40.800 0.182 0.000 0.967 99 D HN -0.665 7.740 8.370 0.058 0.000 0.464 100 L N 0.287 121.504 121.223 -0.011 0.000 2.042 100 L HA -0.276 nan 4.340 nan 0.000 0.210 100 L C 1.802 178.637 176.870 -0.058 0.000 1.076 100 L CA 3.361 58.172 54.840 -0.048 0.000 0.749 100 L CB -0.027 42.008 42.059 -0.038 0.000 0.893 100 L HN -0.120 8.113 8.230 0.005 0.000 0.432 101 L N -2.845 118.363 121.223 -0.025 0.000 2.156 101 L HA -0.263 nan 4.340 nan 0.000 0.208 101 L C 1.683 178.446 176.870 -0.178 0.000 1.095 101 L CA 3.131 57.954 54.840 -0.028 0.000 0.770 101 L CB -0.693 41.413 42.059 0.079 0.000 0.914 101 L HN -0.013 8.222 8.230 0.009 0.000 0.439 102 T N 3.216 117.631 114.554 -0.232 0.000 2.701 102 T HA -0.348 nan 4.350 nan 0.000 0.263 102 T C 2.080 176.547 174.700 -0.387 0.000 1.040 102 T CA 5.300 67.085 62.100 -0.524 0.000 1.147 102 T CB -0.370 68.367 68.868 -0.219 0.000 0.865 102 T HN -0.631 7.451 8.240 -0.088 0.105 0.426 103 I N 1.077 121.508 120.570 -0.231 0.000 2.208 103 I HA -0.558 nan 4.170 nan 0.000 0.245 103 I C 1.341 177.319 176.117 -0.232 0.000 1.097 103 I CA 4.200 65.364 61.300 -0.227 0.000 1.363 103 I CB -0.623 37.290 38.000 -0.144 0.000 1.051 103 I HN 0.345 8.460 8.210 -0.159 0.000 0.413 104 A N -1.079 121.632 122.820 -0.181 0.000 1.908 104 A HA -0.375 nan 4.320 nan 0.000 0.218 104 A C 1.769 179.264 177.584 -0.148 0.000 1.181 104 A CA 3.293 55.245 52.037 -0.142 0.000 0.627 104 A CB -1.145 17.796 19.000 -0.098 0.000 0.818 104 A HN 0.188 8.241 8.150 -0.162 0.000 0.445 105 A N -1.732 120.975 122.820 -0.189 0.000 1.902 105 A HA -0.346 nan 4.320 nan 0.000 0.217 105 A C 2.011 179.511 177.584 -0.139 0.000 1.181 105 A CA 3.053 55.020 52.037 -0.116 0.000 0.623 105 A CB -1.055 17.855 19.000 -0.150 0.000 0.818 105 A HN -0.195 7.802 8.150 -0.256 0.000 0.443 106 Q N -1.221 118.393 119.800 -0.309 0.000 2.050 106 Q HA -0.355 nan 4.340 nan 0.000 0.202 106 Q C 2.357 178.122 176.000 -0.392 0.000 0.980 106 Q CA 3.253 58.734 55.803 -0.536 0.000 0.840 106 Q CB -0.265 27.907 28.738 -0.943 0.000 0.898 106 Q HN -0.365 7.688 8.270 -0.362 0.000 0.424 107 Q N -1.297 118.330 119.800 -0.288 0.000 2.124 107 Q HA -0.267 nan 4.340 nan 0.000 0.202 107 Q C 2.743 178.673 176.000 -0.116 0.000 0.977 107 Q CA 2.739 58.427 55.803 -0.192 0.000 0.850 107 Q CB -0.407 28.241 28.738 -0.150 0.000 0.901 107 Q HN 0.250 8.350 8.270 -0.283 0.000 0.429 108 S N 0.944 116.598 115.700 -0.077 0.000 2.382 108 S HA -0.346 nan 4.470 nan 0.000 0.228 108 S C 2.362 176.986 174.600 0.039 0.000 1.027 108 S CA 3.535 61.742 58.200 0.012 0.000 0.991 108 S CB -0.144 63.087 63.200 0.051 0.000 0.823 108 S HN 0.112 8.364 8.310 -0.096 0.000 0.469 109 V N 1.695 121.562 119.914 -0.078 0.000 2.307 109 V HA -0.410 nan 4.120 nan 0.000 0.245 109 V C 1.929 177.817 176.094 -0.344 0.000 1.045 109 V CA 4.793 66.880 62.300 -0.355 0.000 1.024 109 V CB -0.679 30.855 31.823 -0.482 0.000 0.651 109 V HN -0.388 7.652 8.190 -0.086 0.098 0.449 110 T N 2.506 116.935 114.554 -0.209 0.000 2.708 110 T HA -0.306 nan 4.350 nan 0.000 0.266 110 T C 2.356 177.013 174.700 -0.072 0.000 1.037 110 T CA 4.901 66.916 62.100 -0.142 0.000 1.146 110 T CB -0.458 68.342 68.868 -0.113 0.000 0.865 110 T HN -0.525 7.599 8.240 -0.192 0.000 0.435 111 L N 0.236 121.432 121.223 -0.044 0.000 2.265 111 L HA -0.236 nan 4.340 nan 0.000 0.215 111 L C 1.195 178.096 176.870 0.051 0.000 1.117 111 L CA 2.573 57.416 54.840 0.004 0.000 0.782 111 L CB -0.373 41.691 42.059 0.008 0.000 0.914 111 L HN 0.336 8.528 8.230 -0.062 0.000 0.441 112 A N -3.831 119.035 122.820 0.077 0.000 2.307 112 A HA 0.208 nan 4.320 nan 0.000 0.218 112 A C -0.185 177.470 177.584 0.118 0.000 1.228 112 A CA -0.378 51.757 52.037 0.163 0.000 0.857 112 A CB 0.198 19.407 19.000 0.349 0.000 0.897 112 A HN -0.356 7.677 8.150 0.032 0.136 0.495 113 G N -3.609 105.225 108.800 0.056 0.000 2.144 113 G HA2 -0.288 nan 3.960 nan 0.000 0.218 113 G HA3 -0.288 nan 3.960 nan 0.000 0.218 113 G C -0.084 174.857 174.900 0.068 0.000 0.988 113 G CA -0.400 44.749 45.100 0.082 0.000 0.659 113 G HN 0.085 8.157 8.290 0.016 0.227 0.522 114 G N 1.762 110.469 108.800 -0.154 0.000 2.525 114 G HA2 0.272 nan 3.960 nan 0.000 0.287 114 G HA3 0.272 nan 3.960 nan 0.000 0.287 114 G C -2.150 172.389 174.900 -0.602 0.000 1.350 114 G CA -2.065 42.694 45.100 -0.569 0.000 1.039 114 G HN 0.151 8.233 8.290 -0.194 0.091 0.513 115 P HA 0.021 nan 4.420 nan 0.000 0.271 115 P C -1.495 175.811 177.300 0.010 0.000 1.244 115 P CA -0.179 62.694 63.100 -0.379 0.000 0.793 115 P CB 1.268 32.682 31.700 -0.476 0.000 0.984 116 S N -0.416 115.369 115.700 0.140 0.000 2.561 116 S HA 0.371 nan 4.470 nan 0.000 0.303 116 S C -1.766 173.041 174.600 0.345 0.000 1.110 116 S CA -1.254 57.060 58.200 0.191 0.000 1.034 116 S CB 0.774 64.012 63.200 0.063 0.000 1.010 116 S HN 0.149 8.519 8.310 0.100 0.000 0.482 117 W N 2.714 123.963 121.300 -0.085 0.000 3.005 117 W HA 0.181 nan 4.660 nan 0.000 0.343 117 W C -2.627 173.861 176.519 -0.051 0.000 1.243 117 W CA -0.873 56.435 57.345 -0.061 0.000 1.186 117 W CB 1.691 31.112 29.460 -0.065 0.000 1.453 117 W HN -0.282 7.919 8.180 0.036 0.000 0.575 118 R N 1.879 122.387 120.500 0.014 0.000 2.229 118 R HA 0.228 nan 4.340 nan 0.000 0.332 118 R C -0.938 175.302 176.300 -0.101 0.000 0.989 118 R CA -0.747 55.280 56.100 -0.123 0.000 0.842 118 R CB 0.427 30.720 30.300 -0.011 0.000 1.119 118 R HN 0.114 8.513 8.270 0.215 0.000 0.456 119 V N 1.418 121.165 119.914 -0.279 0.000 2.686 119 V HA 0.268 nan 4.120 nan 0.000 0.295 119 V C -1.405 174.680 176.094 -0.014 0.000 1.055 119 V CA -4.250 57.986 62.300 -0.107 0.000 1.050 119 V CB -0.828 30.874 31.823 -0.201 0.000 0.984 119 V HN 0.369 8.319 8.190 -0.399 0.000 0.482 120 P HA 0.113 nan 4.420 nan 0.000 0.268 120 P C -1.722 175.557 177.300 -0.036 0.000 1.205 120 P CA 0.567 63.673 63.100 0.010 0.000 0.771 120 P CB 0.386 32.100 31.700 0.023 0.000 0.858 121 L N 0.603 121.772 121.223 -0.089 0.000 2.250 121 L HA 0.472 nan 4.340 nan 0.000 0.252 121 L C -0.004 176.544 176.870 -0.537 0.000 1.054 121 L CA -0.931 53.790 54.840 -0.198 0.000 0.856 121 L CB 3.533 45.530 42.059 -0.103 0.000 1.443 121 L HN 0.258 8.365 8.230 -0.073 0.080 0.427 122 G N -3.494 104.774 108.800 -0.887 0.000 2.154 122 G HA2 -0.328 nan 3.960 nan 0.000 0.186 122 G HA3 -0.328 nan 3.960 nan 0.000 0.186 122 G C -1.106 173.423 174.900 -0.618 0.000 1.000 122 G CA -0.374 43.828 45.100 -1.497 0.000 0.664 122 G HN 0.252 8.646 8.290 -0.570 -0.445 0.513 123 R N -0.664 119.651 120.500 -0.308 0.000 2.637 123 R HA 0.301 nan 4.340 nan 0.000 0.269 123 R C -0.332 175.919 176.300 -0.081 0.000 1.089 123 R CA 0.134 56.150 56.100 -0.140 0.000 1.177 123 R CB 0.827 31.094 30.300 -0.054 0.000 1.091 123 R HN -0.381 8.117 8.270 -0.267 -0.388 0.540 124 R N -1.078 119.401 120.500 -0.035 0.000 2.888 124 R HA 0.603 nan 4.340 nan 0.000 0.266 124 R C -1.040 175.271 176.300 0.019 0.000 1.020 124 R CA -1.171 54.931 56.100 0.003 0.000 0.963 124 R CB 3.470 33.775 30.300 0.008 0.000 1.197 124 R HN 0.386 8.634 8.270 -0.036 0.000 0.481 125 D N 1.046 121.464 120.400 0.029 0.000 2.256 125 D HA 0.340 nan 4.640 nan 0.000 0.250 125 D C 0.447 176.763 176.300 0.026 0.000 1.093 125 D CA -0.470 53.548 54.000 0.030 0.000 0.882 125 D CB 1.176 41.994 40.800 0.030 0.000 1.185 125 D HN 0.325 8.715 8.370 0.033 0.000 0.437 126 S N 2.420 118.135 115.700 0.026 0.000 2.589 126 S HA 0.046 nan 4.470 nan 0.000 0.265 126 S C 0.741 175.321 174.600 -0.033 0.000 1.342 126 S CA 0.615 58.830 58.200 0.024 0.000 1.005 126 S CB 1.182 64.422 63.200 0.067 0.000 0.909 126 S HN 0.374 8.702 8.310 0.030 0.000 0.555 127 L N -1.507 119.688 121.223 -0.048 0.000 2.554 127 L HA 0.106 nan 4.340 nan 0.000 0.225 127 L C -1.145 175.600 176.870 -0.210 0.000 1.104 127 L CA 0.576 55.381 54.840 -0.058 0.000 0.866 127 L CB 0.170 42.231 42.059 0.004 0.000 1.047 127 L HN 0.302 8.530 8.230 -0.003 0.000 0.468 128 Q N -5.811 113.666 119.800 -0.538 0.000 2.565 128 Q HA 0.118 nan 4.340 nan 0.000 0.294 128 Q C -1.948 173.074 176.000 -1.630 0.000 1.005 128 Q CA -2.329 52.659 55.803 -1.357 0.000 0.771 128 Q CB 3.170 31.296 28.738 -1.020 0.000 1.486 128 Q HN -0.995 6.982 8.270 -0.418 0.042 0.422 129 A N -0.714 120.958 122.820 -1.914 0.000 2.312 129 A HA 0.369 nan 4.320 nan 0.000 0.328 129 A C -0.636 176.279 177.584 -1.114 0.000 1.158 129 A CA -1.055 50.299 52.037 -1.140 0.000 0.821 129 A CB 1.798 20.476 19.000 -0.536 0.000 1.170 129 A HN 0.202 6.619 8.150 -2.890 0.000 0.490 130 F N 1.257 121.100 119.950 -0.177 0.000 2.371 130 F HA 0.251 nan 4.527 nan 0.000 0.343 130 F C -0.197 175.551 175.800 -0.086 0.000 1.150 130 F CA -1.439 56.492 58.000 -0.116 0.000 1.220 130 F CB -0.794 38.142 39.000 -0.107 0.000 1.475 130 F HN 0.220 8.701 8.300 -0.251 -0.331 0.521 131 L N 3.340 124.574 121.223 0.019 0.000 2.012 131 L HA -0.372 nan 4.340 nan 0.000 0.210 131 L C 0.664 177.513 176.870 -0.034 0.000 1.073 131 L CA 3.978 58.803 54.840 -0.025 0.000 0.748 131 L CB -0.028 42.003 42.059 -0.046 0.000 0.891 131 L HN -0.017 8.202 8.230 -0.020 0.000 0.431 132 D N -1.155 119.248 120.400 0.005 0.000 2.117 132 D HA -0.302 nan 4.640 nan 0.000 0.197 132 D C 2.437 178.747 176.300 0.017 0.000 0.987 132 D CA 3.695 57.698 54.000 0.006 0.000 0.829 132 D CB -0.698 40.123 40.800 0.035 0.000 0.961 132 D HN 0.207 8.597 8.370 0.033 0.000 0.460 133 L N -0.265 120.983 121.223 0.042 0.000 2.046 133 L HA -0.270 nan 4.340 nan 0.000 0.208 133 L C 1.278 178.150 176.870 0.003 0.000 1.077 133 L CA 2.372 57.221 54.840 0.016 0.000 0.747 133 L CB -0.381 41.675 42.059 -0.004 0.000 0.896 133 L HN -0.419 7.860 8.230 0.083 0.000 0.432 134 A N -1.126 121.695 122.820 0.001 0.000 1.902 134 A HA -0.409 nan 4.320 nan 0.000 0.217 134 A C 2.055 179.607 177.584 -0.054 0.000 1.181 134 A CA 3.389 55.398 52.037 -0.046 0.000 0.623 134 A CB -0.922 18.040 19.000 -0.063 0.000 0.818 134 A HN 0.369 8.465 8.150 0.030 0.071 0.443 135 N N -1.343 117.318 118.700 -0.064 0.000 2.223 135 N HA -0.268 nan 4.740 nan 0.000 0.185 135 N C 1.817 177.395 175.510 0.113 0.000 1.016 135 N CA 2.536 55.575 53.050 -0.019 0.000 0.863 135 N CB -0.311 38.107 38.487 -0.115 0.000 0.983 135 N HN 0.048 8.309 8.380 -0.080 0.070 0.429 136 A N -1.543 121.326 122.820 0.080 0.000 2.021 136 A HA -0.010 nan 4.320 nan 0.000 0.216 136 A C 1.047 178.698 177.584 0.113 0.000 1.163 136 A CA 1.897 54.000 52.037 0.109 0.000 0.676 136 A CB 0.292 19.334 19.000 0.071 0.000 0.818 136 A HN -0.308 7.748 8.150 0.041 0.119 0.453 137 N N -3.468 115.274 118.700 0.070 0.000 2.415 137 N HA 0.132 nan 4.740 nan 0.000 0.174 137 N C -0.175 175.410 175.510 0.124 0.000 1.048 137 N CA 0.550 53.653 53.050 0.088 0.000 0.895 137 N CB 1.324 39.829 38.487 0.030 0.000 1.036 137 N HN -0.256 8.053 8.380 0.036 0.092 0.449 138 L N 1.248 122.471 121.223 -0.001 0.000 2.360 138 L HA 0.137 nan 4.340 nan 0.000 0.276 138 L C -1.504 175.302 176.870 -0.106 0.000 1.121 138 L CA -1.314 53.434 54.840 -0.153 0.000 0.845 138 L CB -0.446 41.395 42.059 -0.363 0.000 1.143 138 L HN -0.700 7.520 8.230 -0.016 0.000 0.452 139 P HA 0.111 nan 4.420 nan 0.000 0.274 139 P C -2.050 174.774 177.300 -0.793 0.000 1.237 139 P CA -0.799 62.033 63.100 -0.446 0.000 0.793 139 P CB 1.043 32.711 31.700 -0.053 0.000 0.977 140 A N -0.688 121.111 122.820 -1.702 0.000 2.356 140 A HA 0.482 nan 4.320 nan 0.000 0.323 140 A C -0.295 176.732 177.584 -0.928 0.000 1.119 140 A CA -2.711 48.623 52.037 -1.173 0.000 0.790 140 A CB 0.886 19.062 19.000 -1.373 0.000 1.273 140 A HN 0.063 6.127 8.150 -3.475 0.000 0.452 141 P HA -0.144 nan 4.420 nan 0.000 0.219 141 P C -0.082 177.240 177.300 0.037 0.000 1.146 141 P CA 2.280 65.307 63.100 -0.122 0.000 0.808 141 P CB 0.053 31.751 31.700 -0.004 0.000 0.779 142 F N -7.396 112.662 119.950 0.180 0.000 2.773 142 F HA 0.114 nan 4.527 nan 0.000 0.304 142 F C -1.073 174.973 175.800 0.409 0.000 1.129 142 F CA -1.731 56.432 58.000 0.271 0.000 1.378 142 F CB -0.792 38.346 39.000 0.230 0.000 1.095 142 F HN -0.513 7.355 8.300 -0.659 0.036 0.565 143 F N 2.133 122.018 119.950 -0.107 0.000 2.459 143 F HA -0.070 nan 4.527 nan 0.000 0.346 143 F C 0.230 176.098 175.800 0.113 0.000 1.128 143 F CA -1.012 57.000 58.000 0.019 0.000 1.268 143 F CB 0.477 39.459 39.000 -0.031 0.000 1.161 143 F HN -0.648 7.591 8.300 0.009 0.067 0.583 144 T N -2.862 111.839 114.554 0.246 0.000 2.788 144 T HA 0.232 nan 4.350 nan 0.000 0.280 144 T C 0.787 175.587 174.700 0.166 0.000 0.984 144 T CA -2.038 60.172 62.100 0.184 0.000 0.972 144 T CB 2.229 71.166 68.868 0.116 0.000 1.039 144 T HN 0.232 8.896 8.240 0.144 -0.337 0.530 145 L N 0.314 121.614 121.223 0.128 0.000 2.012 145 L HA -0.039 nan 4.340 nan 0.000 0.210 145 L C -0.898 176.023 176.870 0.085 0.000 1.073 145 L CA 4.360 59.261 54.840 0.102 0.000 0.748 145 L CB -2.360 39.742 42.059 0.072 0.000 0.891 145 L HN 0.562 8.864 8.230 0.121 0.000 0.431 146 P HA -0.229 nan 4.420 nan 0.000 0.218 146 P C 2.031 179.363 177.300 0.053 0.000 1.149 146 P CA 3.024 66.153 63.100 0.048 0.000 0.817 146 P CB -0.543 31.175 31.700 0.029 0.000 0.785 147 Q N -1.669 118.155 119.800 0.039 0.000 2.083 147 Q HA -0.278 nan 4.340 nan 0.000 0.198 147 Q C 2.683 178.799 176.000 0.193 0.000 0.969 147 Q CA 3.318 59.109 55.803 -0.020 0.000 0.838 147 Q CB -0.171 28.397 28.738 -0.284 0.000 0.900 147 Q HN -0.643 7.554 8.270 0.046 0.101 0.436 148 L N -0.034 121.365 121.223 0.292 0.000 2.017 148 L HA -0.438 nan 4.340 nan 0.000 0.208 148 L C 1.896 178.942 176.870 0.293 0.000 1.073 148 L CA 3.441 58.499 54.840 0.363 0.000 0.745 148 L CB -0.463 41.721 42.059 0.207 0.000 0.894 148 L HN 0.235 8.530 8.230 0.231 0.074 0.432 149 K N -1.364 119.130 120.400 0.156 0.000 2.063 149 K HA -0.433 nan 4.320 nan 0.000 0.208 149 K C 2.405 179.119 176.600 0.191 0.000 1.048 149 K CA 3.753 60.116 56.287 0.126 0.000 0.928 149 K CB -0.492 32.050 32.500 0.070 0.000 0.713 149 K HN 0.232 8.558 8.250 0.126 0.000 0.442 150 D N -0.858 119.641 120.400 0.166 0.000 2.117 150 D HA -0.173 nan 4.640 nan 0.000 0.197 150 D C 2.344 178.765 176.300 0.200 0.000 0.987 150 D CA 3.110 57.195 54.000 0.140 0.000 0.829 150 D CB -0.150 40.699 40.800 0.081 0.000 0.961 150 D HN -0.278 7.995 8.370 0.140 0.182 0.460 151 S N 0.354 116.244 115.700 0.316 0.000 2.368 151 S HA -0.251 nan 4.470 nan 0.000 0.225 151 S C 2.355 177.188 174.600 0.389 0.000 1.030 151 S CA 3.209 61.647 58.200 0.397 0.000 0.999 151 S CB -0.040 63.517 63.200 0.595 0.000 0.844 151 S HN -0.224 8.207 8.310 0.336 0.080 0.459 152 F N 0.634 120.729 119.950 0.242 0.000 2.206 152 F HA -0.197 nan 4.527 nan 0.000 0.298 152 F C 1.704 177.511 175.800 0.012 0.000 1.090 152 F CA 3.055 61.163 58.000 0.180 0.000 1.323 152 F CB -0.072 39.066 39.000 0.230 0.000 1.028 152 F HN -0.176 8.597 8.300 0.787 0.000 0.492 153 R N -0.537 120.098 120.500 0.225 0.000 2.096 153 R HA -0.434 nan 4.340 nan 0.000 0.235 153 R C 2.734 179.041 176.300 0.011 0.000 1.127 153 R CA 3.401 59.561 56.100 0.099 0.000 0.968 153 R CB -0.416 29.941 30.300 0.095 0.000 0.861 153 R HN -0.009 8.435 8.270 0.291 0.000 0.440 154 N N -0.207 118.497 118.700 0.008 0.000 2.192 154 N HA -0.230 nan 4.740 nan 0.000 0.188 154 N C 1.050 176.478 175.510 -0.137 0.000 1.013 154 N CA 2.965 55.989 53.050 -0.045 0.000 0.863 154 N CB 0.382 38.861 38.487 -0.013 0.000 0.990 154 N HN -0.108 8.304 8.380 0.067 0.009 0.430 155 V N -8.854 110.907 119.914 -0.255 0.000 3.542 155 V HA 0.413 nan 4.120 nan 0.000 0.296 155 V C 0.080 176.015 176.094 -0.266 0.000 1.364 155 V CA -1.731 60.349 62.300 -0.368 0.000 1.118 155 V CB -0.736 30.619 31.823 -0.780 0.000 0.972 155 V HN -0.646 7.257 8.190 -0.261 0.131 0.430 156 G N -0.710 107.997 108.800 -0.155 0.000 2.176 156 G HA2 -0.260 nan 3.960 nan 0.000 0.232 156 G HA3 -0.260 nan 3.960 nan 0.000 0.232 156 G C -0.280 174.596 174.900 -0.039 0.000 0.986 156 G CA 0.092 45.139 45.100 -0.088 0.000 0.643 156 G HN -0.086 7.918 8.290 -0.123 0.212 0.522 157 L N 2.365 123.574 121.223 -0.023 0.000 2.399 157 L HA -0.030 nan 4.340 nan 0.000 0.257 157 L C -1.184 175.789 176.870 0.171 0.000 1.236 157 L CA -0.615 54.290 54.840 0.109 0.000 1.144 157 L CB -1.550 40.642 42.059 0.221 0.000 1.379 157 L HN -0.159 7.965 8.230 -0.098 0.047 0.414 158 N N 0.927 119.686 118.700 0.098 0.000 2.383 158 N HA -0.052 nan 4.740 nan 0.000 0.192 158 N C -0.050 175.508 175.510 0.080 0.000 1.141 158 N CA 0.063 53.166 53.050 0.087 0.000 0.851 158 N CB 0.142 38.658 38.487 0.050 0.000 0.976 158 N HN -0.308 8.077 8.380 0.064 0.033 0.465 159 R N 0.199 120.754 120.500 0.091 0.000 2.604 159 R HA 0.311 nan 4.340 nan 0.000 0.287 159 R C 0.393 176.733 176.300 0.067 0.000 0.970 159 R CA -1.178 54.963 56.100 0.069 0.000 0.946 159 R CB 1.690 32.031 30.300 0.068 0.000 1.127 159 R HN -0.485 8.086 8.270 0.115 -0.232 0.473 160 S N 3.861 119.586 115.700 0.041 0.000 2.399 160 S HA -0.372 nan 4.470 nan 0.000 0.231 160 S C 1.447 176.077 174.600 0.050 0.000 1.022 160 S CA 3.338 61.551 58.200 0.022 0.000 0.983 160 S CB -0.319 62.884 63.200 0.004 0.000 0.803 160 S HN 0.745 9.076 8.310 0.034 0.000 0.480 161 S N 0.488 116.239 115.700 0.086 0.000 2.399 161 S HA -0.273 nan 4.470 nan 0.000 0.231 161 S C 1.746 176.462 174.600 0.194 0.000 1.022 161 S CA 3.047 61.351 58.200 0.173 0.000 0.983 161 S CB -0.687 62.624 63.200 0.185 0.000 0.803 161 S HN 0.154 8.501 8.310 0.071 0.006 0.480 162 D N 3.152 123.640 120.400 0.147 0.000 2.092 162 D HA -0.266 nan 4.640 nan 0.000 0.193 162 D C 1.914 178.311 176.300 0.162 0.000 0.994 162 D CA 2.970 57.084 54.000 0.191 0.000 0.828 162 D CB -0.412 40.546 40.800 0.263 0.000 0.963 162 D HN -0.567 7.757 8.370 0.123 0.120 0.450 163 L N -0.413 120.775 121.223 -0.058 0.000 2.056 163 L HA -0.203 nan 4.340 nan 0.000 0.207 163 L C 1.810 178.628 176.870 -0.087 0.000 1.078 163 L CA 3.176 57.758 54.840 -0.430 0.000 0.749 163 L CB -0.038 41.693 42.059 -0.547 0.000 0.901 163 L HN -0.723 7.495 8.230 -0.020 0.000 0.433 164 V N -1.199 118.777 119.914 0.102 0.000 2.379 164 V HA -0.445 nan 4.120 nan 0.000 0.245 164 V C 1.937 178.359 176.094 0.547 0.000 1.044 164 V CA 4.458 66.940 62.300 0.304 0.000 1.036 164 V CB -1.483 30.481 31.823 0.235 0.000 0.664 164 V HN 0.115 8.355 8.190 0.084 0.000 0.453 165 A N -0.246 122.895 122.820 0.534 0.000 1.873 165 A HA -0.233 nan 4.320 nan 0.000 0.215 165 A C 2.405 180.291 177.584 0.505 0.000 1.186 165 A CA 3.423 55.778 52.037 0.531 0.000 0.616 165 A CB -0.655 18.520 19.000 0.292 0.000 0.823 165 A HN 0.297 8.585 8.150 0.421 0.115 0.442 166 L N -2.969 118.420 121.223 0.276 0.000 2.201 166 L HA -0.341 nan 4.340 nan 0.000 0.212 166 L C 2.548 179.433 176.870 0.025 0.000 1.105 166 L CA 2.497 57.442 54.840 0.176 0.000 0.775 166 L CB -0.464 41.683 42.059 0.146 0.000 0.913 166 L HN 0.006 8.376 8.230 0.233 0.000 0.440 167 S N 0.188 115.871 115.700 -0.029 0.000 2.474 167 S HA -0.188 nan 4.470 nan 0.000 0.235 167 S C 2.068 176.240 174.600 -0.714 0.000 0.997 167 S CA 3.576 61.586 58.200 -0.318 0.000 0.949 167 S CB -0.839 62.327 63.200 -0.058 0.000 0.766 167 S HN -0.132 8.127 8.310 0.093 0.107 0.517 168 G N -0.005 108.579 108.800 -0.360 0.000 2.586 168 G HA2 -0.155 nan 3.960 nan 0.000 0.215 168 G HA3 -0.155 nan 3.960 nan 0.000 0.215 168 G C 0.760 175.298 174.900 -0.603 0.000 1.128 168 G CA 0.898 45.596 45.100 -0.670 0.000 0.774 168 G HN -0.017 8.196 8.290 0.131 0.156 0.543 169 G N 0.462 109.052 108.800 -0.350 0.000 2.509 169 G HA2 -0.232 nan 3.960 nan 0.000 0.218 169 G HA3 -0.232 nan 3.960 nan 0.000 0.218 169 G C 0.524 175.287 174.900 -0.228 0.000 1.124 169 G CA 0.825 45.849 45.100 -0.126 0.000 0.776 169 G HN -0.328 7.614 8.290 -0.286 0.177 0.547 170 H N -0.603 118.074 119.070 -0.655 0.000 2.547 170 H HA 0.013 nan 4.556 nan 0.000 0.274 170 H C 0.180 175.305 175.328 -0.338 0.000 1.024 170 H CA -0.550 55.075 56.048 -0.705 0.000 1.155 170 H CB -0.457 28.802 29.762 -0.838 0.000 1.344 170 H HN -0.516 6.992 8.280 -1.018 0.161 0.598 171 T N -0.049 114.315 114.554 -0.316 0.000 3.113 171 T HA -0.026 nan 4.350 nan 0.000 0.263 171 T C -1.333 173.393 174.700 0.043 0.000 1.143 171 T CA 1.207 63.165 62.100 -0.238 0.000 1.090 171 T CB 0.461 68.950 68.868 -0.633 0.000 0.922 171 T HN -0.194 7.557 8.240 -0.503 0.187 0.521 172 F N -4.804 115.139 119.950 -0.013 0.000 2.923 172 F HA 0.553 nan 4.527 nan 0.000 0.323 172 F C -0.862 175.029 175.800 0.153 0.000 1.189 172 F CA -2.816 55.236 58.000 0.086 0.000 0.930 172 F CB 1.090 40.148 39.000 0.097 0.000 1.414 172 F HN -0.954 7.606 8.300 0.534 0.061 0.496 173 G N -1.217 107.663 108.800 0.133 0.000 2.712 173 G HA2 -0.350 nan 3.960 nan 0.000 0.683 173 G HA3 -0.350 nan 3.960 nan 0.000 0.683 173 G C -2.403 172.663 174.900 0.277 0.000 1.320 173 G CA -0.076 45.070 45.100 0.078 0.000 0.847 173 G HN -0.130 8.235 8.290 0.124 0.000 0.553 174 K N -0.337 120.194 120.400 0.218 0.000 2.295 174 K HA 0.792 nan 4.320 nan 0.000 0.239 174 K C -1.384 175.243 176.600 0.044 0.000 0.991 174 K CA -1.711 54.637 56.287 0.101 0.000 0.845 174 K CB 3.120 35.648 32.500 0.046 0.000 1.197 174 K HN 0.143 8.491 8.250 0.163 0.000 0.441 175 N N 1.001 119.601 118.700 -0.166 0.000 2.308 175 N HA 0.207 nan 4.740 nan 0.000 0.283 175 N C -2.305 173.192 175.510 -0.022 0.000 1.105 175 N CA -0.520 52.423 53.050 -0.177 0.000 0.840 175 N CB 3.177 41.204 38.487 -0.767 0.000 1.633 175 N HN 0.540 8.824 8.380 -0.160 0.000 0.476 176 Q N 2.951 122.852 119.800 0.168 0.000 2.340 176 Q HA 0.155 nan 4.340 nan 0.000 0.249 176 Q C 1.245 177.225 176.000 -0.034 0.000 0.957 176 Q CA 0.334 56.161 55.803 0.040 0.000 0.882 176 Q CB 1.587 30.298 28.738 -0.046 0.000 1.235 176 Q HN 0.156 8.667 8.270 0.403 0.000 0.439 177 c N 3.985 122.540 118.600 -0.075 0.000 2.403 177 c HA -0.397 nan 4.570 nan 0.000 0.277 177 c C 2.093 176.125 174.090 -0.097 0.000 1.248 177 c CA 3.897 60.186 56.329 -0.066 0.000 1.762 177 c CB -1.595 40.888 42.510 -0.045 0.000 2.014 177 c HN 0.838 9.029 8.230 -0.066 0.000 0.486 178 R N 1.232 121.594 120.500 -0.230 0.000 2.139 178 R HA -0.365 nan 4.340 nan 0.000 0.243 178 R C 2.357 178.507 176.300 -0.250 0.000 1.145 178 R CA 2.996 58.915 56.100 -0.301 0.000 0.976 178 R CB -1.032 28.972 30.300 -0.493 0.000 0.866 178 R HN 0.042 8.145 8.270 -0.254 0.014 0.449 179 F N -2.990 116.987 119.950 0.046 0.000 2.748 179 F HA -0.102 nan 4.527 nan 0.000 0.299 179 F C 0.052 175.892 175.800 0.066 0.000 1.154 179 F CA 1.721 59.765 58.000 0.074 0.000 1.446 179 F CB 0.133 39.175 39.000 0.069 0.000 1.112 179 F HN -0.438 7.548 8.300 -0.306 0.131 0.584 180 I N -7.773 112.885 120.570 0.146 0.000 4.240 180 I HA 0.276 nan 4.170 nan 0.000 0.331 180 I C 0.663 176.816 176.117 0.060 0.000 1.381 180 I CA -0.510 60.841 61.300 0.085 0.000 1.136 180 I CB 1.577 39.568 38.000 -0.016 0.000 1.137 180 I HN -0.041 8.043 8.210 0.078 0.173 0.411 181 M N 2.149 121.802 119.600 0.088 0.000 2.065 181 M HA -0.433 nan 4.480 nan 0.000 0.259 181 M C 1.867 178.272 176.300 0.175 0.000 1.069 181 M CA 3.433 58.821 55.300 0.147 0.000 1.110 181 M CB -1.678 31.012 32.600 0.151 0.000 1.328 181 M HN -0.660 7.677 8.290 0.078 0.000 0.405 182 D N -2.149 118.352 120.400 0.169 0.000 2.158 182 D HA -0.303 nan 4.640 nan 0.000 0.197 182 D C 2.441 178.915 176.300 0.290 0.000 0.995 182 D CA 3.082 57.193 54.000 0.185 0.000 0.846 182 D CB -0.683 40.185 40.800 0.114 0.000 0.941 182 D HN 0.355 8.816 8.370 0.151 0.000 0.456 183 R N -1.840 118.807 120.500 0.245 0.000 2.093 183 R HA -0.150 nan 4.340 nan 0.000 0.224 183 R C 2.383 178.639 176.300 -0.074 0.000 1.101 183 R CA 2.504 58.681 56.100 0.129 0.000 0.979 183 R CB 0.173 30.464 30.300 -0.015 0.000 0.877 183 R HN -0.766 7.513 8.270 0.196 0.109 0.441 184 L N -1.841 119.262 121.223 -0.201 0.000 2.270 184 L HA -0.228 nan 4.340 nan 0.000 0.210 184 L C 1.505 177.961 176.870 -0.690 0.000 1.104 184 L CA 2.917 57.430 54.840 -0.545 0.000 0.804 184 L CB -0.036 41.494 42.059 -0.881 0.000 0.937 184 L HN -0.417 7.645 8.230 -0.121 0.096 0.450 185 Y N -6.319 114.006 120.300 0.040 0.000 2.769 185 Y HA 0.005 nan 4.550 nan 0.000 0.266 185 Y C -0.042 175.893 175.900 0.059 0.000 1.091 185 Y CA 0.791 58.913 58.100 0.036 0.000 1.272 185 Y CB 1.774 40.245 38.460 0.019 0.000 1.469 185 Y HN -0.239 8.040 8.280 -0.002 0.000 0.475 186 N N -0.534 118.306 118.700 0.233 0.000 2.648 186 N HA 0.053 nan 4.740 nan 0.000 0.261 186 N C -1.616 173.995 175.510 0.168 0.000 1.138 186 N CA -0.583 52.565 53.050 0.164 0.000 0.804 186 N CB 0.777 39.330 38.487 0.111 0.000 1.237 186 N HN -0.756 7.774 8.380 0.251 0.000 0.532 187 F N 6.239 126.212 119.950 0.039 0.000 2.444 187 F HA 0.098 nan 4.527 nan 0.000 0.360 187 F C -0.598 175.223 175.800 0.035 0.000 1.106 187 F CA -0.180 57.842 58.000 0.036 0.000 1.170 187 F CB 1.164 40.180 39.000 0.027 0.000 1.113 187 F HN 0.861 9.222 8.300 0.298 0.117 0.521 188 S N 8.541 123.881 115.700 -0.600 0.000 3.631 188 S HA -0.469 nan 4.470 nan 0.000 0.366 188 S C -0.485 174.002 174.600 -0.187 0.000 0.993 188 S CA 1.112 59.033 58.200 -0.466 0.000 1.167 188 S CB -1.470 61.342 63.200 -0.647 0.000 0.909 188 S HN 0.893 8.865 8.310 -0.562 0.000 0.478 189 N N -3.298 115.338 118.700 -0.107 0.000 2.732 189 N HA -0.284 nan 4.740 nan 0.000 0.250 189 N C 0.546 176.050 175.510 -0.009 0.000 1.097 189 N CA 1.189 54.212 53.050 -0.044 0.000 0.812 189 N CB -0.412 38.045 38.487 -0.050 0.000 1.148 189 N HN 0.296 8.612 8.380 -0.107 0.000 0.572 190 T N -6.276 108.287 114.554 0.014 0.000 3.085 190 T HA 0.039 nan 4.350 nan 0.000 0.263 190 T C 1.546 176.279 174.700 0.055 0.000 1.127 190 T CA 0.479 62.607 62.100 0.048 0.000 1.103 190 T CB 0.322 69.247 68.868 0.094 0.000 0.921 190 T HN -0.198 7.870 8.240 0.006 0.175 0.510 191 G N 2.087 110.923 108.800 0.059 0.000 2.162 191 G HA2 -0.404 nan 3.960 nan 0.000 0.260 191 G HA3 -0.404 nan 3.960 nan 0.000 0.260 191 G C -1.104 173.844 174.900 0.080 0.000 0.976 191 G CA 0.310 45.447 45.100 0.061 0.000 0.655 191 G HN 0.204 8.803 8.290 0.056 -0.275 0.533 192 L N -1.140 120.144 121.223 0.101 0.000 2.359 192 L HA 0.546 nan 4.340 nan 0.000 0.256 192 L C -2.100 174.844 176.870 0.124 0.000 1.026 192 L CA -3.623 51.275 54.840 0.097 0.000 0.828 192 L CB 2.413 44.518 42.059 0.077 0.000 1.406 192 L HN -0.573 7.666 8.230 0.116 0.060 0.413 193 P HA 0.105 nan 4.420 nan 0.000 0.274 193 P C -1.577 175.704 177.300 -0.033 0.000 1.246 193 P CA -0.601 62.506 63.100 0.012 0.000 0.795 193 P CB 0.353 32.010 31.700 -0.073 0.000 1.006 194 D N 0.653 120.920 120.400 -0.222 0.000 2.412 194 D HA 0.026 nan 4.640 nan 0.000 0.257 194 D C 0.759 176.887 176.300 -0.287 0.000 1.217 194 D CA -2.033 51.614 54.000 -0.588 0.000 0.897 194 D CB 0.304 40.496 40.800 -1.014 0.000 1.132 194 D HN -0.157 8.093 8.370 -0.200 0.000 0.493 195 P HA -0.135 nan 4.420 nan 0.000 0.223 195 P C -0.037 177.212 177.300 -0.085 0.000 1.144 195 P CA 1.448 64.497 63.100 -0.085 0.000 0.783 195 P CB -0.093 31.590 31.700 -0.028 0.000 0.771 196 T N -6.712 107.764 114.554 -0.130 0.000 3.144 196 T HA -0.019 nan 4.350 nan 0.000 0.249 196 T C -0.352 174.308 174.700 -0.067 0.000 1.089 196 T CA -0.741 61.316 62.100 -0.072 0.000 0.989 196 T CB -0.010 68.825 68.868 -0.054 0.000 0.992 196 T HN -0.169 8.226 8.240 -0.219 -0.286 0.540 197 L N 2.272 123.433 121.223 -0.104 0.000 2.257 197 L HA 0.166 nan 4.340 nan 0.000 0.290 197 L C -0.619 176.231 176.870 -0.034 0.000 1.044 197 L CA -1.269 53.523 54.840 -0.080 0.000 0.810 197 L CB 1.203 43.171 42.059 -0.151 0.000 1.193 197 L HN -0.556 7.515 8.230 -0.137 0.076 0.425 198 N N 7.299 126.013 118.700 0.024 0.000 2.292 198 N HA -0.214 nan 4.740 nan 0.000 0.258 198 N C 0.594 176.124 175.510 0.033 0.000 1.261 198 N CA 1.298 54.370 53.050 0.037 0.000 0.845 198 N CB 1.582 40.107 38.487 0.064 0.000 1.064 198 N HN 0.103 8.511 8.380 0.047 0.000 0.471 199 T N 1.127 115.688 114.554 0.012 0.000 2.915 199 T HA -0.154 nan 4.350 nan 0.000 0.269 199 T C 1.996 176.707 174.700 0.018 0.000 1.071 199 T CA 2.964 65.065 62.100 0.001 0.000 1.132 199 T CB -0.074 68.790 68.868 -0.006 0.000 0.878 199 T HN 0.286 8.531 8.240 0.007 0.000 0.479 200 T N 5.173 119.751 114.554 0.039 0.000 2.812 200 T HA -0.185 nan 4.350 nan 0.000 0.264 200 T C 1.476 176.240 174.700 0.107 0.000 1.042 200 T CA 4.334 66.462 62.100 0.048 0.000 1.140 200 T CB -0.588 68.297 68.868 0.029 0.000 0.870 200 T HN -0.153 8.307 8.240 0.036 -0.199 0.445 201 Y N 3.023 123.293 120.300 -0.049 0.000 2.224 201 Y HA -0.273 nan 4.550 nan 0.000 0.289 201 Y C 1.114 176.976 175.900 -0.064 0.000 1.146 201 Y CA 0.660 58.727 58.100 -0.055 0.000 1.182 201 Y CB -0.291 38.132 38.460 -0.062 0.000 0.983 201 Y HN -0.165 8.569 8.280 0.189 -0.340 0.524 202 L N -0.590 120.615 121.223 -0.030 0.000 2.043 202 L HA -0.473 nan 4.340 nan 0.000 0.212 202 L C 1.918 178.715 176.870 -0.121 0.000 1.075 202 L CA 3.703 58.455 54.840 -0.148 0.000 0.752 202 L CB -0.466 41.524 42.059 -0.114 0.000 0.891 202 L HN 0.026 8.192 8.230 0.036 0.085 0.432 203 Q N -2.621 117.153 119.800 -0.042 0.000 2.050 203 Q HA -0.334 nan 4.340 nan 0.000 0.202 203 Q C 2.868 178.860 176.000 -0.013 0.000 0.980 203 Q CA 2.797 58.588 55.803 -0.021 0.000 0.840 203 Q CB -0.887 27.855 28.738 0.006 0.000 0.898 203 Q HN -0.372 7.801 8.270 -0.011 0.091 0.424 204 T N 3.757 118.324 114.554 0.020 0.000 2.684 204 T HA -0.279 nan 4.350 nan 0.000 0.267 204 T C 2.266 176.952 174.700 -0.023 0.000 1.036 204 T CA 4.780 66.904 62.100 0.041 0.000 1.148 204 T CB -0.504 68.454 68.868 0.149 0.000 0.863 204 T HN -0.593 7.608 8.240 0.055 0.071 0.436 205 L N 0.432 121.577 121.223 -0.130 0.000 2.042 205 L HA -0.506 nan 4.340 nan 0.000 0.210 205 L C 1.964 178.762 176.870 -0.121 0.000 1.076 205 L CA 3.451 58.171 54.840 -0.201 0.000 0.749 205 L CB -0.681 41.144 42.059 -0.391 0.000 0.893 205 L HN 0.329 8.459 8.230 -0.168 0.000 0.432 206 R N -2.735 117.698 120.500 -0.113 0.000 2.152 206 R HA -0.301 nan 4.340 nan 0.000 0.232 206 R C 2.059 178.386 176.300 0.046 0.000 1.117 206 R CA 2.923 59.008 56.100 -0.026 0.000 0.981 206 R CB -0.467 29.818 30.300 -0.025 0.000 0.870 206 R HN 0.015 8.203 8.270 -0.135 0.000 0.451 207 G N -1.980 106.829 108.800 0.015 0.000 2.403 207 G HA2 -0.154 nan 3.960 nan 0.000 0.216 207 G HA3 -0.154 nan 3.960 nan 0.000 0.216 207 G C 0.428 175.340 174.900 0.020 0.000 1.154 207 G CA 1.034 46.149 45.100 0.024 0.000 0.784 207 G HN -0.494 7.654 8.290 -0.007 0.138 0.538 208 L N -1.630 119.596 121.223 0.005 0.000 2.179 208 L HA -0.004 nan 4.340 nan 0.000 0.208 208 L C -0.190 176.683 176.870 0.005 0.000 1.096 208 L CA 1.422 56.262 54.840 0.000 0.000 0.779 208 L CB 0.865 42.915 42.059 -0.015 0.000 0.922 208 L HN -0.662 7.464 8.230 -0.009 0.099 0.443 209 c N -0.531 118.081 118.600 0.019 0.000 2.816 209 c HA 0.533 nan 4.570 nan 0.000 0.255 209 c C -2.731 171.442 174.090 0.138 0.000 1.141 209 c CA -3.234 53.125 56.329 0.051 0.000 1.554 209 c CB -1.104 41.426 42.510 0.033 0.000 1.778 209 c HN 0.104 8.251 8.230 0.015 0.093 0.429 210 P HA 0.145 nan 4.420 nan 0.000 0.271 210 P C 0.066 177.368 177.300 0.003 0.000 1.218 210 P CA -0.469 62.681 63.100 0.084 0.000 0.780 210 P CB 0.454 32.168 31.700 0.024 0.000 0.901 211 L N 2.774 123.890 121.223 -0.178 0.000 2.263 211 L HA -0.325 nan 4.340 nan 0.000 0.216 211 L C 0.023 176.764 176.870 -0.216 0.000 1.111 211 L CA 2.317 56.894 54.840 -0.438 0.000 0.773 211 L CB 0.136 41.776 42.059 -0.698 0.000 0.906 211 L HN 0.385 8.535 8.230 -0.135 0.000 0.439 212 N N -3.903 114.724 118.700 -0.122 0.000 2.517 212 N HA 0.070 nan 4.740 nan 0.000 0.285 212 N C -0.645 174.834 175.510 -0.051 0.000 1.528 212 N CA -0.554 52.445 53.050 -0.084 0.000 0.892 212 N CB 0.674 39.114 38.487 -0.077 0.000 1.356 212 N HN -0.388 7.893 8.380 -0.097 0.041 0.495 213 G N -0.282 108.495 108.800 -0.039 0.000 2.641 213 G HA2 0.157 nan 3.960 nan 0.000 0.239 213 G HA3 0.157 nan 3.960 nan 0.000 0.239 213 G C -1.917 172.968 174.900 -0.025 0.000 1.402 213 G CA -1.359 43.727 45.100 -0.023 0.000 1.046 213 G HN -0.271 7.994 8.290 -0.042 0.000 0.565 214 N N -0.016 118.671 118.700 -0.020 0.000 2.406 214 N HA 0.029 nan 4.740 nan 0.000 0.251 214 N C 1.676 177.165 175.510 -0.034 0.000 1.069 214 N CA -0.690 52.345 53.050 -0.025 0.000 0.947 214 N CB 0.356 38.832 38.487 -0.018 0.000 1.111 214 N HN 0.086 8.457 8.380 -0.015 0.000 0.497 215 L N 5.541 126.735 121.223 -0.049 0.000 2.456 215 L HA -0.186 nan 4.340 nan 0.000 0.224 215 L C 0.787 177.595 176.870 -0.103 0.000 1.148 215 L CA 2.004 56.795 54.840 -0.081 0.000 0.825 215 L CB -0.048 41.951 42.059 -0.099 0.000 0.937 215 L HN 0.780 8.982 8.230 -0.046 0.000 0.450 216 S N -2.720 112.940 115.700 -0.066 0.000 2.556 216 S HA 0.001 nan 4.470 nan 0.000 0.216 216 S C 0.003 174.587 174.600 -0.027 0.000 0.970 216 S CA 0.046 58.216 58.200 -0.050 0.000 0.912 216 S CB -0.227 62.959 63.200 -0.024 0.000 0.790 216 S HN -0.255 7.973 8.310 -0.049 0.052 0.504 217 A N 1.167 123.969 122.820 -0.029 0.000 2.445 217 A HA 0.000 nan 4.320 nan 0.000 0.242 217 A C -1.682 175.891 177.584 -0.019 0.000 1.075 217 A CA 0.437 52.464 52.037 -0.017 0.000 0.777 217 A CB 1.201 20.191 19.000 -0.016 0.000 1.013 217 A HN -0.716 7.249 8.150 -0.036 0.164 0.493 218 L N 0.639 121.856 121.223 -0.011 0.000 2.309 218 L HA 0.793 nan 4.340 nan 0.000 0.282 218 L C -0.126 176.728 176.870 -0.027 0.000 1.036 218 L CA -1.075 53.757 54.840 -0.014 0.000 0.806 218 L CB 1.724 43.785 42.059 0.002 0.000 1.220 218 L HN -0.049 8.178 8.230 -0.006 0.000 0.429 219 V N -1.740 118.138 119.914 -0.059 0.000 2.914 219 V HA 0.497 nan 4.120 nan 0.000 0.314 219 V C -1.527 174.516 176.094 -0.086 0.000 1.084 219 V CA -3.080 59.182 62.300 -0.062 0.000 0.963 219 V CB 3.668 35.439 31.823 -0.087 0.000 1.025 219 V HN 0.819 8.853 8.190 -0.084 0.106 0.432 220 D N 1.739 122.126 120.400 -0.022 0.000 2.345 220 D HA 0.206 nan 4.640 nan 0.000 0.247 220 D C -0.937 175.372 176.300 0.015 0.000 1.108 220 D CA 0.744 54.760 54.000 0.028 0.000 0.894 220 D CB 1.055 41.905 40.800 0.082 0.000 1.203 220 D HN -0.067 8.308 8.370 0.007 0.000 0.430 221 F N 0.682 120.672 119.950 0.066 0.000 2.186 221 F HA -0.283 nan 4.527 nan 0.000 0.299 221 F C 0.176 176.043 175.800 0.112 0.000 1.090 221 F CA 3.552 61.591 58.000 0.066 0.000 1.307 221 F CB 0.954 39.982 39.000 0.047 0.000 1.019 221 F HN 0.144 8.613 8.300 0.281 0.000 0.489 222 D N -2.028 118.545 120.400 0.288 0.000 2.440 222 D HA 0.130 nan 4.640 nan 0.000 0.239 222 D C 0.045 176.400 176.300 0.091 0.000 1.084 222 D CA -1.840 52.264 54.000 0.174 0.000 0.843 222 D CB 0.970 41.861 40.800 0.151 0.000 1.097 222 D HN -0.460 8.062 8.370 0.282 0.017 0.531 223 L N -0.031 121.205 121.223 0.022 0.000 2.217 223 L HA 0.048 nan 4.340 nan 0.000 0.211 223 L C 0.880 177.719 176.870 -0.052 0.000 1.107 223 L CA 1.764 56.581 54.840 -0.038 0.000 0.783 223 L CB 0.135 42.074 42.059 -0.200 0.000 0.919 223 L HN 0.199 8.434 8.230 0.007 0.000 0.442 224 R N -0.853 119.612 120.500 -0.058 0.000 2.056 224 R HA -0.096 nan 4.340 nan 0.000 0.227 224 R C -0.034 176.261 176.300 -0.009 0.000 1.149 224 R CA 1.627 57.699 56.100 -0.048 0.000 0.937 224 R CB 0.636 30.899 30.300 -0.063 0.000 0.835 224 R HN -0.086 8.310 8.270 -0.065 -0.165 0.430 225 T N -4.454 110.107 114.554 0.012 0.000 3.150 225 T HA 0.519 nan 4.350 nan 0.000 0.383 225 T C -1.248 173.499 174.700 0.078 0.000 1.313 225 T CA -3.576 58.548 62.100 0.039 0.000 1.235 225 T CB 0.111 68.998 68.868 0.033 0.000 1.088 225 T HN -0.649 7.982 8.240 0.007 -0.387 0.556 226 P HA -0.174 nan 4.420 nan 0.000 0.218 226 P C -0.306 177.111 177.300 0.196 0.000 1.146 226 P CA 2.197 65.379 63.100 0.137 0.000 0.813 226 P CB -0.139 31.621 31.700 0.100 0.000 0.778 227 T N -11.743 102.920 114.554 0.182 0.000 3.040 227 T HA 0.135 nan 4.350 nan 0.000 0.266 227 T C -0.318 174.547 174.700 0.274 0.000 1.005 227 T CA -1.256 60.990 62.100 0.244 0.000 0.906 227 T CB 0.189 69.153 68.868 0.160 0.000 1.082 227 T HN -0.241 8.049 8.240 0.136 0.031 0.531 228 I N 2.573 123.251 120.570 0.180 0.000 2.377 228 I HA 0.132 nan 4.170 nan 0.000 0.293 228 I C -1.521 174.615 176.117 0.032 0.000 0.987 228 I CA -1.013 60.366 61.300 0.132 0.000 1.185 228 I CB 1.796 39.855 38.000 0.098 0.000 1.341 228 I HN -0.785 7.404 8.210 0.147 0.109 0.455 229 F N 9.757 129.612 119.950 -0.158 0.000 2.439 229 F HA -0.161 nan 4.527 nan 0.000 0.356 229 F C -1.567 174.237 175.800 0.007 0.000 1.161 229 F CA 0.357 58.155 58.000 -0.338 0.000 1.151 229 F CB 0.129 38.786 39.000 -0.571 0.000 1.222 229 F HN 0.530 8.813 8.300 0.157 0.111 0.558 230 D N 4.370 124.690 120.400 -0.134 0.000 2.825 230 D HA 0.242 nan 4.640 nan 0.000 0.327 230 D C -0.937 175.412 176.300 0.081 0.000 1.277 230 D CA -1.233 52.884 54.000 0.194 0.000 0.950 230 D CB 1.656 42.517 40.800 0.102 0.000 1.438 230 D HN -0.397 7.706 8.370 -0.445 0.000 0.526 231 N N -2.654 116.095 118.700 0.082 0.000 2.383 231 N HA -0.117 nan 4.740 nan 0.000 0.192 231 N C 1.410 176.887 175.510 -0.055 0.000 1.141 231 N CA 0.275 53.278 53.050 -0.078 0.000 0.851 231 N CB -0.542 37.940 38.487 -0.008 0.000 0.976 231 N HN 0.396 8.822 8.380 0.077 0.000 0.465 232 K N 0.302 120.661 120.400 -0.068 0.000 2.218 232 K HA -0.366 nan 4.320 nan 0.000 0.205 232 K C 1.309 177.839 176.600 -0.117 0.000 1.046 232 K CA 2.363 58.606 56.287 -0.074 0.000 0.933 232 K CB -1.416 31.049 32.500 -0.059 0.000 0.728 232 K HN -0.702 7.618 8.250 -0.055 -0.103 0.454 233 Y N 0.736 120.838 120.300 -0.329 0.000 2.139 233 Y HA -0.506 nan 4.550 nan 0.000 0.282 233 Y C 1.924 177.532 175.900 -0.487 0.000 1.179 233 Y CA 3.723 61.556 58.100 -0.445 0.000 1.161 233 Y CB -0.346 37.692 38.460 -0.704 0.000 0.970 233 Y HN -0.438 7.735 8.280 -0.122 0.035 0.511 234 Y N -4.271 115.877 120.300 -0.254 0.000 2.263 234 Y HA -0.381 nan 4.550 nan 0.000 0.292 234 Y C 2.225 177.928 175.900 -0.327 0.000 1.130 234 Y CA 4.202 62.113 58.100 -0.314 0.000 1.179 234 Y CB -0.713 37.654 38.460 -0.155 0.000 0.998 234 Y HN -0.340 7.793 8.280 -0.233 0.008 0.532 235 V N 0.018 119.855 119.914 -0.128 0.000 2.332 235 V HA -0.558 nan 4.120 nan 0.000 0.248 235 V C 1.944 177.892 176.094 -0.244 0.000 1.055 235 V CA 4.173 66.375 62.300 -0.164 0.000 1.038 235 V CB -1.092 30.661 31.823 -0.117 0.000 0.651 235 V HN -0.529 7.527 8.190 -0.081 0.085 0.450 236 N N -0.909 117.628 118.700 -0.271 0.000 2.120 236 N HA -0.288 nan 4.740 nan 0.000 0.188 236 N C 2.256 177.565 175.510 -0.335 0.000 1.024 236 N CA 2.790 55.671 53.050 -0.282 0.000 0.852 236 N CB -0.691 37.640 38.487 -0.260 0.000 1.003 236 N HN -0.219 8.005 8.380 -0.261 0.000 0.424 237 L N -0.607 120.346 121.223 -0.450 0.000 2.079 237 L HA -0.368 nan 4.340 nan 0.000 0.210 237 L C 2.669 179.116 176.870 -0.705 0.000 1.081 237 L CA 3.524 58.073 54.840 -0.486 0.000 0.752 237 L CB -0.583 41.181 42.059 -0.491 0.000 0.896 237 L HN -0.494 7.346 8.230 -0.510 0.084 0.433 238 E N -2.490 117.222 120.200 -0.813 0.000 2.268 238 E HA -0.238 nan 4.350 nan 0.000 0.195 238 E C 1.098 177.426 176.600 -0.453 0.000 0.995 238 E CA 2.273 58.078 56.400 -0.993 0.000 0.836 238 E CB -0.327 29.018 29.700 -0.592 0.000 0.763 238 E HN -0.519 7.474 8.360 -0.599 0.007 0.491 239 E N -3.604 116.412 120.200 -0.306 0.000 2.463 239 E HA 0.106 nan 4.350 nan 0.000 0.193 239 E C -0.749 175.783 176.600 -0.113 0.000 1.041 239 E CA -0.831 55.468 56.400 -0.168 0.000 0.879 239 E CB 0.408 30.012 29.700 -0.160 0.000 0.997 239 E HN -0.759 7.253 8.360 -0.337 0.146 0.478 240 Q N -5.406 114.320 119.800 -0.125 0.000 2.503 240 Q HA -0.356 nan 4.340 nan 0.000 0.267 240 Q C -0.072 175.928 176.000 -0.000 0.000 1.030 240 Q CA 1.267 57.048 55.803 -0.037 0.000 1.041 240 Q CB -2.613 26.129 28.738 0.006 0.000 1.406 240 Q HN -0.237 7.705 8.270 -0.225 0.194 0.524 241 K N -2.006 118.367 120.400 -0.044 0.000 2.498 241 K HA 0.123 nan 4.320 nan 0.000 0.207 241 K C -0.858 175.798 176.600 0.093 0.000 1.033 241 K CA -0.883 55.442 56.287 0.064 0.000 1.138 241 K CB 0.046 32.437 32.500 -0.182 0.000 0.860 241 K HN 0.086 8.137 8.250 -0.135 0.118 0.490 242 G N -1.301 107.498 108.800 -0.002 0.000 2.365 242 G HA2 -0.052 nan 3.960 nan 0.000 0.249 242 G HA3 -0.052 nan 3.960 nan 0.000 0.249 242 G C -0.131 174.828 174.900 0.099 0.000 1.288 242 G CA -0.326 44.771 45.100 -0.005 0.000 0.887 242 G HN -0.567 7.633 8.290 -0.029 0.073 0.524 243 L N 5.837 127.149 121.223 0.148 0.000 2.005 243 L HA -0.048 nan 4.340 nan 0.000 0.207 243 L C -0.181 176.698 176.870 0.015 0.000 1.072 243 L CA 2.085 56.956 54.840 0.051 0.000 0.744 243 L CB 0.936 42.984 42.059 -0.017 0.000 0.895 243 L HN 0.366 8.720 8.230 0.207 0.000 0.433 244 I N -8.157 112.477 120.570 0.107 0.000 2.607 244 I HA 0.182 nan 4.170 nan 0.000 0.305 244 I C 0.117 176.321 176.117 0.146 0.000 0.995 244 I CA -1.727 59.647 61.300 0.124 0.000 1.148 244 I CB 1.889 39.988 38.000 0.165 0.000 1.323 244 I HN -0.930 7.597 8.210 0.200 -0.197 0.461 245 Q N 4.896 124.794 119.800 0.162 0.000 2.096 245 Q HA -0.444 nan 4.340 nan 0.000 0.208 245 Q C 1.545 177.655 176.000 0.183 0.000 0.993 245 Q CA 3.879 59.790 55.803 0.180 0.000 0.862 245 Q CB -0.242 28.669 28.738 0.289 0.000 0.915 245 Q HN 0.760 9.139 8.270 0.181 0.000 0.416 246 S N -2.355 113.460 115.700 0.191 0.000 2.442 246 S HA -0.303 nan 4.470 nan 0.000 0.236 246 S C 2.073 176.791 174.600 0.197 0.000 1.007 246 S CA 2.697 61.007 58.200 0.184 0.000 0.965 246 S CB -0.459 62.834 63.200 0.155 0.000 0.773 246 S HN -0.399 8.023 8.310 0.187 0.000 0.504 247 D N 2.163 122.700 120.400 0.229 0.000 2.085 247 D HA -0.092 nan 4.640 nan 0.000 0.199 247 D C 2.291 178.668 176.300 0.129 0.000 0.981 247 D CA 2.657 56.807 54.000 0.250 0.000 0.834 247 D CB -0.054 40.920 40.800 0.290 0.000 0.992 247 D HN -0.354 8.007 8.370 0.227 0.146 0.457 248 Q N 0.257 120.117 119.800 0.100 0.000 2.170 248 Q HA -0.277 nan 4.340 nan 0.000 0.203 248 Q C 2.221 178.294 176.000 0.122 0.000 0.976 248 Q CA 2.525 58.376 55.803 0.079 0.000 0.858 248 Q CB -0.262 28.505 28.738 0.048 0.000 0.907 248 Q HN -0.448 7.890 8.270 0.113 0.000 0.433 249 E N -0.111 120.164 120.200 0.125 0.000 2.204 249 E HA -0.276 nan 4.350 nan 0.000 0.195 249 E C 2.777 179.445 176.600 0.113 0.000 0.990 249 E CA 2.650 59.122 56.400 0.119 0.000 0.821 249 E CB -0.369 29.410 29.700 0.131 0.000 0.750 249 E HN -0.219 8.201 8.360 0.132 0.019 0.477 250 L N -1.773 119.530 121.223 0.134 0.000 2.265 250 L HA -0.309 nan 4.340 nan 0.000 0.215 250 L C 1.334 178.304 176.870 0.167 0.000 1.117 250 L CA 2.654 57.573 54.840 0.132 0.000 0.782 250 L CB -0.217 41.940 42.059 0.163 0.000 0.914 250 L HN -0.460 7.824 8.230 0.141 0.031 0.441 251 F N -0.920 119.031 119.950 0.002 0.000 2.637 251 F HA 0.027 nan 4.527 nan 0.000 0.284 251 F C 0.633 176.425 175.800 -0.012 0.000 1.105 251 F CA 2.044 60.035 58.000 -0.015 0.000 1.356 251 F CB 1.731 40.711 39.000 -0.033 0.000 1.096 251 F HN -0.128 8.176 8.300 0.256 0.150 0.616 252 S N -1.136 114.625 115.700 0.101 0.000 2.524 252 S HA 0.032 nan 4.470 nan 0.000 0.215 252 S C -0.662 173.932 174.600 -0.010 0.000 0.986 252 S CA 0.680 58.889 58.200 0.015 0.000 0.911 252 S CB 0.523 63.778 63.200 0.091 0.000 0.805 252 S HN -0.078 8.339 8.310 0.178 0.000 0.501 253 S N 2.724 118.428 115.700 0.006 0.000 2.576 253 S HA 0.244 nan 4.470 nan 0.000 0.276 253 S C -0.354 174.235 174.600 -0.019 0.000 1.339 253 S CA -2.299 55.911 58.200 0.016 0.000 1.039 253 S CB 0.686 63.910 63.200 0.040 0.000 0.902 253 S HN -0.606 7.626 8.310 0.021 0.090 0.516 254 P HA -0.118 nan 4.420 nan 0.000 0.222 254 P C -0.009 177.278 177.300 -0.021 0.000 1.147 254 P CA 1.940 65.029 63.100 -0.019 0.000 0.790 254 P CB 0.154 31.853 31.700 -0.001 0.000 0.780 255 N N -3.171 115.524 118.700 -0.008 0.000 2.336 255 N HA -0.027 nan 4.740 nan 0.000 0.189 255 N C 0.602 176.102 175.510 -0.016 0.000 1.113 255 N CA -0.253 52.794 53.050 -0.006 0.000 0.858 255 N CB 0.475 38.968 38.487 0.011 0.000 0.970 255 N HN -0.422 7.914 8.380 0.004 0.047 0.471 256 A N 0.683 123.484 122.820 -0.032 0.000 2.281 256 A HA 0.179 nan 4.320 nan 0.000 0.231 256 A C 0.165 177.706 177.584 -0.072 0.000 1.317 256 A CA 0.609 52.618 52.037 -0.047 0.000 0.959 256 A CB -1.525 17.437 19.000 -0.064 0.000 0.900 256 A HN -0.077 7.852 8.150 -0.037 0.199 0.497 257 T N 1.118 115.637 114.554 -0.058 0.000 2.708 257 T HA -0.301 nan 4.350 nan 0.000 0.266 257 T C 0.875 175.541 174.700 -0.057 0.000 1.037 257 T CA 4.120 66.183 62.100 -0.062 0.000 1.146 257 T CB -0.356 68.486 68.868 -0.044 0.000 0.865 257 T HN -0.216 7.872 8.240 -0.043 0.126 0.435 258 D N -2.497 117.877 120.400 -0.043 0.000 2.348 258 D HA 0.012 nan 4.640 nan 0.000 0.211 258 D C 1.396 177.666 176.300 -0.050 0.000 0.998 258 D CA 1.383 55.359 54.000 -0.041 0.000 0.873 258 D CB -0.464 40.321 40.800 -0.025 0.000 0.925 258 D HN 0.327 8.676 8.370 -0.035 0.000 0.524 259 T N -4.301 110.226 114.554 -0.046 0.000 3.033 259 T HA 0.066 nan 4.350 nan 0.000 0.248 259 T C 1.697 176.370 174.700 -0.045 0.000 1.040 259 T CA 1.417 63.493 62.100 -0.040 0.000 1.133 259 T CB 0.870 69.738 68.868 0.000 0.000 0.895 259 T HN -0.989 7.076 8.240 -0.043 0.149 0.465 260 I N 2.154 122.691 120.570 -0.055 0.000 2.151 260 I HA -0.371 nan 4.170 nan 0.000 0.243 260 I C -0.695 175.401 176.117 -0.034 0.000 1.080 260 I CA 5.916 67.188 61.300 -0.046 0.000 1.339 260 I CB -2.509 35.366 38.000 -0.210 0.000 1.039 260 I HN 0.218 8.383 8.210 -0.075 0.000 0.409 261 P HA -0.183 nan 4.420 nan 0.000 0.216 261 P C 1.696 178.875 177.300 -0.201 0.000 1.153 261 P CA 3.098 66.137 63.100 -0.103 0.000 0.848 261 P CB -0.669 30.976 31.700 -0.093 0.000 0.787 262 L N -2.652 118.395 121.223 -0.293 0.000 2.046 262 L HA -0.315 nan 4.340 nan 0.000 0.208 262 L C 2.416 178.792 176.870 -0.823 0.000 1.077 262 L CA 3.159 57.603 54.840 -0.659 0.000 0.747 262 L CB -0.446 41.252 42.059 -0.602 0.000 0.896 262 L HN -0.857 7.247 8.230 -0.211 0.000 0.432 263 V N -0.528 119.172 119.914 -0.357 0.000 2.287 263 V HA -0.552 nan 4.120 nan 0.000 0.248 263 V C 2.442 178.452 176.094 -0.140 0.000 1.053 263 V CA 4.500 66.716 62.300 -0.139 0.000 1.027 263 V CB -1.047 30.884 31.823 0.179 0.000 0.646 263 V HN 0.270 8.340 8.190 -0.200 0.000 0.447 264 R N -2.103 118.358 120.500 -0.065 0.000 2.073 264 R HA -0.395 nan 4.340 nan 0.000 0.234 264 R C 2.420 178.665 176.300 -0.091 0.000 1.134 264 R CA 3.436 59.517 56.100 -0.032 0.000 0.952 264 R CB -0.292 30.021 30.300 0.021 0.000 0.850 264 R HN 0.168 8.419 8.270 -0.032 0.000 0.433 265 S N -0.213 115.385 115.700 -0.170 0.000 2.359 265 S HA -0.269 nan 4.470 nan 0.000 0.224 265 S C 2.275 176.877 174.600 0.003 0.000 1.035 265 S CA 3.657 61.785 58.200 -0.121 0.000 1.018 265 S CB -0.143 62.940 63.200 -0.195 0.000 0.876 265 S HN 0.122 8.187 8.310 -0.225 0.109 0.448 266 F N -0.501 119.300 119.950 -0.248 0.000 2.259 266 F HA -0.141 nan 4.527 nan 0.000 0.298 266 F C 1.567 177.181 175.800 -0.311 0.000 1.088 266 F CA 0.500 58.261 58.000 -0.399 0.000 1.358 266 F CB -0.863 37.490 39.000 -1.079 0.000 1.040 266 F HN 0.261 8.268 8.300 -0.487 0.000 0.505 267 A N -1.259 121.539 122.820 -0.038 0.000 2.015 267 A HA -0.184 nan 4.320 nan 0.000 0.219 267 A C 1.000 178.579 177.584 -0.008 0.000 1.163 267 A CA 2.021 54.063 52.037 0.009 0.000 0.646 267 A CB -0.202 18.794 19.000 -0.008 0.000 0.806 267 A HN -0.162 7.833 8.150 -0.086 0.103 0.448 268 N N -3.053 115.643 118.700 -0.007 0.000 2.446 268 N HA -0.041 nan 4.740 nan 0.000 0.179 268 N C -0.481 175.024 175.510 -0.007 0.000 1.054 268 N CA 1.205 54.250 53.050 -0.009 0.000 0.905 268 N CB 1.070 39.553 38.487 -0.007 0.000 0.973 268 N HN -0.479 7.776 8.380 -0.007 0.121 0.448 269 S N -0.820 114.885 115.700 0.008 0.000 2.776 269 S HA 0.212 nan 4.470 nan 0.000 0.284 269 S C -0.004 174.574 174.600 -0.037 0.000 1.160 269 S CA -1.369 56.824 58.200 -0.011 0.000 1.051 269 S CB 1.084 64.292 63.200 0.013 0.000 1.037 269 S HN -0.715 7.615 8.310 0.034 0.000 0.485 270 T N 9.793 124.270 114.554 -0.128 0.000 2.759 270 T HA -0.319 nan 4.350 nan 0.000 0.269 270 T C 1.398 175.823 174.700 -0.458 0.000 1.042 270 T CA 4.481 66.390 62.100 -0.318 0.000 1.140 270 T CB -0.305 68.304 68.868 -0.432 0.000 0.864 270 T HN 0.713 8.884 8.240 -0.116 0.000 0.455 271 Q N 0.540 120.183 119.800 -0.261 0.000 2.084 271 Q HA -0.238 nan 4.340 nan 0.000 0.202 271 Q C 1.908 177.870 176.000 -0.065 0.000 0.978 271 Q CA 3.321 59.029 55.803 -0.158 0.000 0.844 271 Q CB -0.807 27.887 28.738 -0.074 0.000 0.898 271 Q HN 0.200 8.348 8.270 -0.184 0.012 0.426 272 T N 3.449 117.994 114.554 -0.015 0.000 2.746 272 T HA -0.306 nan 4.350 nan 0.000 0.267 272 T C 1.854 176.548 174.700 -0.010 0.000 1.039 272 T CA 4.605 66.736 62.100 0.052 0.000 1.142 272 T CB -0.712 68.243 68.868 0.145 0.000 0.866 272 T HN -0.669 7.561 8.240 -0.017 0.000 0.444 273 F N 3.300 123.103 119.950 -0.244 0.000 2.075 273 F HA -0.399 nan 4.527 nan 0.000 0.297 273 F C 0.817 176.550 175.800 -0.110 0.000 1.113 273 F CA 1.409 59.093 58.000 -0.527 0.000 1.218 273 F CB -0.135 38.664 39.000 -0.335 0.000 0.984 273 F HN -0.418 7.936 8.300 0.090 0.000 0.472 274 F N -1.377 118.240 119.950 -0.554 0.000 2.126 274 F HA -0.493 nan 4.527 nan 0.000 0.299 274 F C 2.389 177.954 175.800 -0.392 0.000 1.096 274 F CA 1.963 59.636 58.000 -0.544 0.000 1.255 274 F CB -1.400 37.428 39.000 -0.288 0.000 0.997 274 F HN 0.309 8.544 8.300 -0.107 0.000 0.479 275 N N -0.777 117.881 118.700 -0.071 0.000 2.120 275 N HA -0.329 nan 4.740 nan 0.000 0.188 275 N C 2.231 177.642 175.510 -0.164 0.000 1.024 275 N CA 3.132 56.113 53.050 -0.115 0.000 0.852 275 N CB -0.584 37.871 38.487 -0.053 0.000 1.003 275 N HN 0.063 8.428 8.380 -0.025 0.000 0.424 276 A N 0.571 123.291 122.820 -0.167 0.000 1.877 276 A HA -0.234 nan 4.320 nan 0.000 0.216 276 A C 1.961 179.439 177.584 -0.176 0.000 1.186 276 A CA 2.966 54.916 52.037 -0.144 0.000 0.620 276 A CB -0.719 18.137 19.000 -0.240 0.000 0.822 276 A HN -0.255 7.716 8.150 -0.181 0.071 0.443 277 F N -0.233 119.468 119.950 -0.414 0.000 2.069 277 F HA -0.473 nan 4.527 nan 0.000 0.298 277 F C 1.722 177.257 175.800 -0.442 0.000 1.113 277 F CA 3.929 61.699 58.000 -0.382 0.000 1.214 277 F CB 0.237 38.884 39.000 -0.587 0.000 0.978 277 F HN 0.331 8.363 8.300 -0.266 0.107 0.474 278 V N -1.237 118.335 119.914 -0.570 0.000 2.332 278 V HA -0.577 nan 4.120 nan 0.000 0.248 278 V C 1.846 177.564 176.094 -0.627 0.000 1.055 278 V CA 4.654 66.381 62.300 -0.955 0.000 1.038 278 V CB -1.002 30.209 31.823 -1.020 0.000 0.651 278 V HN 0.250 8.197 8.190 -0.405 0.000 0.450 279 E N -0.973 119.003 120.200 -0.374 0.000 2.106 279 E HA -0.374 nan 4.350 nan 0.000 0.192 279 E C 2.096 178.592 176.600 -0.172 0.000 0.984 279 E CA 3.152 59.422 56.400 -0.218 0.000 0.806 279 E CB -0.070 29.557 29.700 -0.121 0.000 0.750 279 E HN -0.321 7.841 8.360 -0.330 0.000 0.458 280 A N 0.135 122.835 122.820 -0.200 0.000 1.877 280 A HA -0.271 nan 4.320 nan 0.000 0.216 280 A C 2.382 179.863 177.584 -0.172 0.000 1.186 280 A CA 3.295 55.252 52.037 -0.133 0.000 0.620 280 A CB -0.746 18.183 19.000 -0.118 0.000 0.822 280 A HN 0.168 8.171 8.150 -0.245 0.000 0.443 281 M N -1.662 117.723 119.600 -0.359 0.000 2.108 281 M HA -0.404 nan 4.480 nan 0.000 0.261 281 M C 2.329 178.633 176.300 0.007 0.000 1.066 281 M CA 2.846 58.013 55.300 -0.221 0.000 1.107 281 M CB -1.088 31.339 32.600 -0.289 0.000 1.356 281 M HN 0.413 8.369 8.290 -0.556 0.000 0.406 282 D N -1.281 119.110 120.400 -0.015 0.000 2.224 282 D HA -0.180 nan 4.640 nan 0.000 0.205 282 D C 2.312 178.635 176.300 0.038 0.000 0.965 282 D CA 2.822 56.865 54.000 0.071 0.000 0.852 282 D CB -0.433 40.405 40.800 0.063 0.000 0.947 282 D HN -0.215 7.996 8.370 -0.137 0.077 0.494 283 R N -1.633 118.868 120.500 0.003 0.000 2.062 283 R HA -0.174 nan 4.340 nan 0.000 0.229 283 R C 2.600 178.910 176.300 0.018 0.000 1.128 283 R CA 1.994 58.100 56.100 0.009 0.000 0.960 283 R CB -0.170 30.136 30.300 0.011 0.000 0.855 283 R HN -0.420 7.728 8.270 -0.030 0.104 0.432 284 M N 1.199 120.819 119.600 0.033 0.000 2.108 284 M HA -0.250 nan 4.480 nan 0.000 0.261 284 M C 2.073 178.396 176.300 0.038 0.000 1.066 284 M CA 3.426 58.753 55.300 0.046 0.000 1.107 284 M CB -0.048 32.608 32.600 0.094 0.000 1.356 284 M HN 0.350 8.655 8.290 0.025 0.000 0.406 285 G N -3.913 104.943 108.800 0.094 0.000 2.559 285 G HA2 -0.269 nan 3.960 nan 0.000 0.216 285 G HA3 -0.269 nan 3.960 nan 0.000 0.216 285 G C 0.334 175.272 174.900 0.062 0.000 1.126 285 G CA 1.312 46.492 45.100 0.133 0.000 0.778 285 G HN 0.314 8.669 8.290 0.109 0.000 0.543 286 N N -0.389 118.327 118.700 0.027 0.000 2.230 286 N HA 0.055 nan 4.740 nan 0.000 0.202 286 N C -0.612 174.882 175.510 -0.026 0.000 1.119 286 N CA -0.580 52.470 53.050 0.000 0.000 0.851 286 N CB 1.010 39.496 38.487 -0.000 0.000 0.990 286 N HN -0.474 7.729 8.380 0.026 0.192 0.497 287 I N 1.414 121.960 120.570 -0.041 0.000 2.587 287 I HA -0.156 nan 4.170 nan 0.000 0.284 287 I C -0.084 175.990 176.117 -0.072 0.000 1.134 287 I CA 1.022 62.275 61.300 -0.077 0.000 1.410 287 I CB 0.237 38.163 38.000 -0.122 0.000 1.392 287 I HN -0.763 7.371 8.210 -0.029 0.058 0.545 288 T N 2.567 117.075 114.554 -0.077 0.000 2.797 288 T HA -0.196 nan 4.350 nan 0.000 0.451 288 T C -1.460 173.204 174.700 -0.060 0.000 0.776 288 T CA -1.096 60.960 62.100 -0.074 0.000 2.987 288 T CB -1.784 67.025 68.868 -0.098 0.000 1.333 288 T HN 0.386 8.578 8.240 -0.079 0.000 0.423 289 P HA 0.120 nan 4.420 nan 0.000 0.276 289 P C -1.788 175.489 177.300 -0.038 0.000 1.244 289 P CA -1.207 61.870 63.100 -0.039 0.000 0.801 289 P CB 1.255 32.930 31.700 -0.042 0.000 1.006 290 L N 0.273 121.478 121.223 -0.029 0.000 2.257 290 L HA 0.313 nan 4.340 nan 0.000 0.290 290 L C -0.664 176.186 176.870 -0.034 0.000 1.044 290 L CA -0.762 54.065 54.840 -0.021 0.000 0.810 290 L CB 0.217 42.274 42.059 -0.003 0.000 1.193 290 L HN 0.389 8.604 8.230 -0.024 0.000 0.425 291 T N -2.988 111.547 114.554 -0.032 0.000 2.864 291 T HA 0.491 nan 4.350 nan 0.000 0.289 291 T C 0.349 175.044 174.700 -0.008 0.000 1.082 291 T CA -2.443 59.632 62.100 -0.042 0.000 1.009 291 T CB 3.402 72.238 68.868 -0.054 0.000 1.234 291 T HN 0.005 8.231 8.240 -0.024 0.000 0.526 292 G N 1.974 110.781 108.800 0.011 0.000 2.601 292 G HA2 -0.475 nan 3.960 nan 0.000 0.306 292 G HA3 -0.475 nan 3.960 nan 0.000 0.306 292 G C -0.328 174.597 174.900 0.042 0.000 1.172 292 G CA 2.139 47.261 45.100 0.037 0.000 0.966 292 G HN 0.558 8.851 8.290 0.005 0.000 0.542 293 T N 1.099 115.671 114.554 0.030 0.000 3.085 293 T HA 0.201 nan 4.350 nan 0.000 0.264 293 T C 0.999 175.714 174.700 0.025 0.000 1.019 293 T CA -0.680 61.439 62.100 0.032 0.000 0.910 293 T CB -0.042 68.843 68.868 0.028 0.000 1.059 293 T HN 0.206 8.460 8.240 0.023 0.000 0.542 294 Q N 2.856 122.668 119.800 0.019 0.000 2.394 294 Q HA 0.024 nan 4.340 nan 0.000 0.248 294 Q C 0.815 176.827 176.000 0.020 0.000 0.992 294 Q CA 0.449 56.262 55.803 0.016 0.000 0.888 294 Q CB 0.916 29.659 28.738 0.008 0.000 1.257 294 Q HN -0.473 7.750 8.270 0.016 0.056 0.462 295 G N 0.017 108.832 108.800 0.024 0.000 2.682 295 G HA2 -0.403 nan 3.960 nan 0.000 0.256 295 G HA3 -0.403 nan 3.960 nan 0.000 0.256 295 G C -1.571 173.347 174.900 0.030 0.000 1.333 295 G CA 0.036 45.152 45.100 0.027 0.000 0.904 295 G HN 0.234 8.539 8.290 0.024 0.000 0.569 296 Q N -2.708 117.112 119.800 0.032 0.000 2.857 296 Q HA 0.570 nan 4.340 nan 0.000 0.319 296 Q C -1.206 174.820 176.000 0.044 0.000 0.963 296 Q CA -1.823 54.003 55.803 0.038 0.000 0.770 296 Q CB 3.696 32.454 28.738 0.034 0.000 1.492 296 Q HN 0.437 8.617 8.270 0.030 0.108 0.493 297 I N 0.275 120.875 120.570 0.050 0.000 2.371 297 I HA 0.141 nan 4.170 nan 0.000 0.282 297 I C -0.080 176.061 176.117 0.041 0.000 1.031 297 I CA -1.057 60.276 61.300 0.055 0.000 1.180 297 I CB 0.015 38.060 38.000 0.076 0.000 1.336 297 I HN 0.347 8.586 8.210 0.048 0.000 0.467 298 R N 6.871 127.392 120.500 0.035 0.000 2.679 298 R HA -0.067 nan 4.340 nan 0.000 0.268 298 R C 0.226 176.540 176.300 0.023 0.000 1.044 298 R CA 0.327 56.444 56.100 0.028 0.000 1.105 298 R CB 0.751 31.068 30.300 0.028 0.000 0.989 298 R HN -0.224 8.346 8.270 0.036 -0.278 0.447 299 L N 0.323 121.557 121.223 0.019 0.000 2.162 299 L HA -0.072 nan 4.340 nan 0.000 0.205 299 L C -0.121 176.756 176.870 0.011 0.000 1.086 299 L CA 1.729 56.577 54.840 0.013 0.000 0.778 299 L CB 0.480 42.545 42.059 0.011 0.000 0.928 299 L HN 0.475 8.717 8.230 0.020 0.000 0.446 300 N N -3.011 115.697 118.700 0.015 0.000 2.352 300 N HA 0.098 nan 4.740 nan 0.000 0.291 300 N C 0.217 175.740 175.510 0.022 0.000 1.040 300 N CA -0.831 52.228 53.050 0.016 0.000 0.864 300 N CB 2.235 40.729 38.487 0.012 0.000 1.440 300 N HN -0.489 7.901 8.380 0.017 0.000 0.483 301 c N 4.579 123.196 118.600 0.028 0.000 2.409 301 c HA -0.214 nan 4.570 nan 0.000 0.284 301 c C 1.614 175.725 174.090 0.035 0.000 1.354 301 c CA 2.083 58.434 56.329 0.037 0.000 1.787 301 c CB -0.735 41.807 42.510 0.053 0.000 1.900 301 c HN 0.883 9.129 8.230 0.027 0.000 0.520 302 R N -2.766 117.748 120.500 0.025 0.000 2.240 302 R HA -0.054 nan 4.340 nan 0.000 0.203 302 R C -0.988 175.326 176.300 0.023 0.000 1.011 302 R CA 1.780 57.887 56.100 0.011 0.000 1.007 302 R CB 0.524 30.820 30.300 -0.008 0.000 0.911 302 R HN -0.153 8.398 8.270 0.023 -0.267 0.468 303 V N -8.165 111.767 119.914 0.029 0.000 3.007 303 V HA 0.349 nan 4.120 nan 0.000 0.311 303 V C -1.557 174.567 176.094 0.049 0.000 1.120 303 V CA -2.087 60.237 62.300 0.041 0.000 0.980 303 V CB 3.118 34.950 31.823 0.014 0.000 1.033 303 V HN -0.717 7.450 8.190 0.026 0.038 0.429 304 V N 1.307 121.264 119.914 0.073 0.000 2.715 304 V HA -0.016 nan 4.120 nan 0.000 0.299 304 V C 0.089 176.207 176.094 0.039 0.000 1.054 304 V CA -0.087 62.252 62.300 0.065 0.000 1.077 304 V CB 0.345 32.229 31.823 0.102 0.000 0.972 304 V HN 0.156 8.401 8.190 0.092 0.000 0.484 305 N N 6.133 124.853 118.700 0.033 0.000 2.513 305 N HA -0.035 nan 4.740 nan 0.000 0.268 305 N C -1.411 174.112 175.510 0.022 0.000 1.180 305 N CA 0.901 53.965 53.050 0.024 0.000 0.948 305 N CB 0.879 39.380 38.487 0.024 0.000 1.083 305 N HN 0.617 9.439 8.380 0.035 -0.421 0.455 306 S N 0.000 115.709 115.700 0.014 0.000 2.498 306 S HA 0.000 nan 4.470 nan 0.000 0.327 306 S CA 0.000 58.207 58.200 0.011 0.000 1.107 306 S CB 0.000 63.202 63.200 0.003 0.000 0.593 306 S HN 0.000 8.317 8.310 0.011 0.000 0.517