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 1h5m_1_A DATA FIRST_RESID 1 DATA SEQUENCE QLTPTFYDNS cPNVSNIVRD TIVNELRSDP RIAASILRLH FHDcFVNGcD DATA SEQUENCE ASILLDNTTS FRTEKDAFGN ANSARGFPVI DRMKAAVESA cPRTVScADL DATA SEQUENCE LTIAAQQSVT LAGGPSWRVP LGRRDSLQAF LDLANANLPA PFFTLPQLKD DATA SEQUENCE SFRNVGLNRS SDLVALSGGH TFGKNQcRFI MDRLYNFSNT GLPDPTLNTT DATA SEQUENCE YLQTLRGLcP LNGNLSALVD FDLRTPTIFD NKYYVNLEEQ KGLIQSDQEL DATA SEQUENCE FSSPNATDTI PLVRSFANST QTFFNAFVEA MDRMGNITPL TGTQGQIRLN DATA SEQUENCE cRVVNS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 Q HA 0.000 nan 4.340 nan 0.000 0.214 1 Q C 0.000 175.986 176.000 -0.023 0.000 1.003 1 Q CA 0.000 55.795 55.803 -0.013 0.000 1.022 1 Q CB 0.000 28.738 28.738 0.000 0.000 1.108 2 L N 1.142 122.341 121.223 -0.040 0.000 2.439 2 L HA 0.626 5.626 4.340 1.100 0.000 0.269 2 L C 0.671 177.530 176.870 -0.018 0.000 1.179 2 L CA 0.078 54.879 54.840 -0.066 0.000 0.828 2 L CB 0.953 42.971 42.059 -0.068 0.000 1.106 2 L HN 0.640 nan 8.230 nan 0.000 0.467 3 T N 1.530 116.080 114.554 -0.006 0.000 2.933 3 T HA 0.381 5.391 4.350 1.100 0.000 0.305 3 T C -2.276 172.451 174.700 0.044 0.000 1.092 3 T CA -1.490 60.631 62.100 0.036 0.000 1.008 3 T CB 2.046 70.953 68.868 0.065 0.000 1.102 3 T HN 0.229 nan 8.240 nan 0.000 0.469 4 P HA -0.002 nan 4.420 nan 0.000 0.222 4 P C 1.189 178.521 177.300 0.053 0.000 1.147 4 P CA 1.000 64.126 63.100 0.044 0.000 0.790 4 P CB 0.039 31.765 31.700 0.045 0.000 0.780 5 T N -5.681 108.903 114.554 0.049 0.000 3.144 5 T HA 0.075 5.085 4.350 1.100 0.000 0.249 5 T C 1.370 176.074 174.700 0.008 0.000 1.089 5 T CA -0.340 61.779 62.100 0.031 0.000 0.989 5 T CB -1.276 67.597 68.868 0.009 0.000 0.992 5 T HN -0.115 nan 8.240 nan 0.000 0.540 6 F N 2.151 121.999 119.950 -0.169 0.000 2.111 6 F HA -0.168 5.020 4.527 1.102 0.000 0.300 6 F C 0.999 176.560 175.800 -0.398 0.000 1.088 6 F CA 1.388 59.182 58.000 -0.344 0.000 1.243 6 F CB -0.216 38.447 39.000 -0.563 0.000 0.996 6 F HN 0.274 nan 8.300 nan 0.000 0.483 7 Y N -0.717 119.622 120.300 0.065 0.000 2.555 7 Y HA 0.148 5.358 4.550 1.100 0.000 0.259 7 Y C 1.525 177.401 175.900 -0.039 0.000 1.179 7 Y CA -0.562 57.529 58.100 -0.015 0.000 1.230 7 Y CB -0.711 37.790 38.460 0.069 0.000 1.146 7 Y HN -0.040 nan 8.280 nan 0.000 0.526 8 D N 0.025 120.458 120.400 0.054 0.000 2.263 8 D HA -0.147 5.153 4.640 1.100 0.000 0.208 8 D C 1.349 177.653 176.300 0.006 0.000 0.971 8 D CA 1.182 55.199 54.000 0.029 0.000 0.867 8 D CB 0.167 40.970 40.800 0.005 0.000 0.929 8 D HN 0.351 nan 8.370 nan 0.000 0.492 9 N N -0.820 117.868 118.700 -0.020 0.000 2.545 9 N HA -0.035 5.365 4.740 1.100 0.000 0.190 9 N C 1.746 177.249 175.510 -0.011 0.000 1.043 9 N CA 0.713 53.747 53.050 -0.027 0.000 0.879 9 N CB 0.075 38.528 38.487 -0.057 0.000 1.210 9 N HN 0.103 nan 8.380 nan 0.000 0.437 10 S N -1.057 114.642 115.700 -0.001 0.000 2.436 10 S HA 0.055 5.185 4.470 1.100 0.000 0.228 10 S C 1.172 175.804 174.600 0.054 0.000 1.014 10 S CA 0.063 58.282 58.200 0.031 0.000 0.950 10 S CB -0.031 63.200 63.200 0.052 0.000 0.784 10 S HN 0.288 nan 8.310 nan 0.000 0.504 11 c N 2.721 121.368 118.600 0.079 0.000 3.079 11 c HA 0.423 5.653 4.570 1.100 0.000 0.246 11 c C -2.023 172.087 174.090 0.035 0.000 1.025 11 c CA -1.115 55.228 56.329 0.023 0.000 1.081 11 c CB 0.874 43.347 42.510 -0.063 0.000 1.757 11 c HN 0.338 nan 8.230 nan 0.000 0.646 12 P HA -0.107 nan 4.420 nan 0.000 0.221 12 P C 0.612 177.914 177.300 0.004 0.000 1.145 12 P CA 1.530 64.644 63.100 0.024 0.000 0.795 12 P CB 0.009 31.716 31.700 0.011 0.000 0.775 13 N N -0.623 118.069 118.700 -0.013 0.000 2.270 13 N HA 0.019 5.419 4.740 1.100 0.000 0.198 13 N C 1.627 177.111 175.510 -0.044 0.000 1.117 13 N CA -0.320 52.714 53.050 -0.026 0.000 0.845 13 N CB 0.185 38.657 38.487 -0.025 0.000 0.980 13 N HN -0.067 nan 8.380 nan 0.000 0.486 14 V N 0.490 120.369 119.914 -0.058 0.000 2.287 14 V HA -0.279 4.501 4.120 1.100 0.000 0.248 14 V C 2.335 178.380 176.094 -0.082 0.000 1.053 14 V CA 2.053 64.294 62.300 -0.097 0.000 1.027 14 V CB -0.339 31.379 31.823 -0.175 0.000 0.646 14 V HN 0.278 nan 8.190 nan 0.000 0.447 15 S N 0.023 115.685 115.700 -0.063 0.000 2.383 15 S HA -0.204 4.926 4.470 1.100 0.000 0.229 15 S C 1.816 176.374 174.600 -0.070 0.000 1.030 15 S CA 1.909 60.064 58.200 -0.074 0.000 1.002 15 S CB -0.598 62.560 63.200 -0.071 0.000 0.829 15 S HN 0.796 nan 8.310 nan 0.000 0.467 16 N N 1.119 119.787 118.700 -0.054 0.000 2.216 16 N HA 0.039 5.439 4.740 1.100 0.000 0.183 16 N C 1.776 177.258 175.510 -0.046 0.000 1.017 16 N CA 1.241 54.263 53.050 -0.046 0.000 0.861 16 N CB -0.347 38.119 38.487 -0.035 0.000 0.986 16 N HN 0.471 nan 8.380 nan 0.000 0.428 17 I N 0.656 121.197 120.570 -0.050 0.000 2.252 17 I HA -0.180 4.650 4.170 1.100 0.000 0.245 17 I C 2.126 178.212 176.117 -0.051 0.000 1.102 17 I CA 0.680 61.952 61.300 -0.047 0.000 1.385 17 I CB -0.174 37.795 38.000 -0.052 0.000 1.064 17 I HN -0.116 nan 8.210 nan 0.000 0.414 18 V N 0.941 120.817 119.914 -0.063 0.000 2.307 18 V HA -0.277 4.503 4.120 1.100 0.000 0.245 18 V C 2.650 178.708 176.094 -0.061 0.000 1.045 18 V CA 1.962 64.222 62.300 -0.067 0.000 1.024 18 V CB -0.763 31.009 31.823 -0.086 0.000 0.651 18 V HN 0.420 nan 8.190 nan 0.000 0.449 19 R N 0.138 120.600 120.500 -0.063 0.000 2.083 19 R HA -0.206 4.794 4.340 1.100 0.000 0.237 19 R C 2.053 178.330 176.300 -0.039 0.000 1.137 19 R CA 2.219 58.286 56.100 -0.056 0.000 0.951 19 R CB -0.424 29.841 30.300 -0.057 0.000 0.851 19 R HN 0.481 nan 8.270 nan 0.000 0.434 20 D N -0.382 119.997 120.400 -0.035 0.000 2.123 20 D HA -0.130 5.170 4.640 1.100 0.000 0.196 20 D C 1.769 178.055 176.300 -0.023 0.000 0.992 20 D CA 1.839 55.824 54.000 -0.026 0.000 0.833 20 D CB -0.417 40.368 40.800 -0.024 0.000 0.954 20 D HN 0.301 nan 8.370 nan 0.000 0.455 21 T N 0.810 115.347 114.554 -0.028 0.000 2.746 21 T HA -0.066 4.944 4.350 1.100 0.000 0.267 21 T C 2.204 176.890 174.700 -0.023 0.000 1.039 21 T CA 0.634 62.719 62.100 -0.024 0.000 1.142 21 T CB -0.137 68.714 68.868 -0.028 0.000 0.866 21 T HN 0.184 nan 8.240 nan 0.000 0.444 22 I N 0.735 121.288 120.570 -0.028 0.000 2.286 22 I HA -0.110 4.720 4.170 1.100 0.000 0.245 22 I C 2.458 178.566 176.117 -0.014 0.000 1.104 22 I CA 0.710 61.995 61.300 -0.024 0.000 1.397 22 I CB -0.493 37.489 38.000 -0.030 0.000 1.072 22 I HN 0.076 nan 8.210 nan 0.000 0.417 23 V N 1.543 121.449 119.914 -0.014 0.000 2.287 23 V HA -0.286 4.494 4.120 1.100 0.000 0.248 23 V C 2.220 178.312 176.094 -0.004 0.000 1.053 23 V CA 1.971 64.267 62.300 -0.006 0.000 1.027 23 V CB -0.850 30.968 31.823 -0.007 0.000 0.646 23 V HN 0.472 nan 8.190 nan 0.000 0.447 24 N N 0.063 118.759 118.700 -0.007 0.000 2.084 24 N HA -0.189 5.212 4.740 1.100 0.000 0.190 24 N C 1.951 177.459 175.510 -0.004 0.000 1.030 24 N CA 1.567 54.614 53.050 -0.005 0.000 0.849 24 N CB -0.314 38.169 38.487 -0.007 0.000 1.012 24 N HN 0.521 nan 8.380 nan 0.000 0.423 25 E N 1.365 121.561 120.200 -0.007 0.000 2.110 25 E HA -0.006 5.004 4.350 1.100 0.000 0.193 25 E C 2.042 178.639 176.600 -0.005 0.000 0.988 25 E CA 0.571 56.967 56.400 -0.008 0.000 0.804 25 E CB -0.383 29.309 29.700 -0.014 0.000 0.745 25 E HN 0.294 nan 8.360 nan 0.000 0.458 26 L N 0.086 121.308 121.223 -0.003 0.000 2.187 26 L HA -0.167 4.833 4.340 1.100 0.000 0.213 26 L C 2.506 179.381 176.870 0.008 0.000 1.100 26 L CA 1.104 55.946 54.840 0.004 0.000 0.765 26 L CB -0.264 41.803 42.059 0.013 0.000 0.904 26 L HN 0.122 nan 8.230 nan 0.000 0.437 27 R N -0.559 119.945 120.500 0.007 0.000 2.092 27 R HA -0.118 4.882 4.340 1.100 0.000 0.231 27 R C 2.417 178.722 176.300 0.008 0.000 1.119 27 R CA 1.726 57.831 56.100 0.008 0.000 0.970 27 R CB -0.215 30.089 30.300 0.007 0.000 0.864 27 R HN 0.480 nan 8.270 nan 0.000 0.440 28 S N -0.826 114.877 115.700 0.005 0.000 2.497 28 S HA -0.008 5.122 4.470 1.100 0.000 0.218 28 S C 0.277 174.879 174.600 0.003 0.000 1.023 28 S CA -0.109 58.094 58.200 0.005 0.000 0.913 28 S CB 0.502 63.705 63.200 0.004 0.000 0.800 28 S HN 0.075 nan 8.310 nan 0.000 0.505 29 D N 2.086 122.486 120.400 0.000 0.000 2.346 29 D HA 0.364 5.664 4.640 1.100 0.000 0.255 29 D C -2.217 174.079 176.300 -0.007 0.000 1.276 29 D CA -2.162 51.835 54.000 -0.005 0.000 0.941 29 D CB 1.887 42.680 40.800 -0.011 0.000 1.199 29 D HN -0.018 nan 8.370 nan 0.000 0.537 30 P HA -0.082 nan 4.420 nan 0.000 0.234 30 P C 1.042 178.335 177.300 -0.012 0.000 1.167 30 P CA 0.320 63.425 63.100 0.008 0.000 0.763 30 P CB 0.383 32.096 31.700 0.021 0.000 0.835 31 R N -0.505 119.975 120.500 -0.034 0.000 2.290 31 R HA 0.089 5.089 4.340 1.100 0.000 0.197 31 R C 2.022 178.250 176.300 -0.121 0.000 0.913 31 R CA -0.132 55.921 56.100 -0.080 0.000 1.040 31 R CB -0.472 29.796 30.300 -0.054 0.000 0.992 31 R HN -0.039 nan 8.270 nan 0.000 0.500 32 I N 1.391 121.912 120.570 -0.082 0.000 2.335 32 I HA -0.221 4.609 4.170 1.100 0.000 0.251 32 I C 1.979 178.033 176.117 -0.106 0.000 1.129 32 I CA 1.497 62.744 61.300 -0.087 0.000 1.402 32 I CB -0.221 37.746 38.000 -0.054 0.000 1.069 32 I HN 0.239 nan 8.210 nan 0.000 0.424 33 A N 0.246 123.009 122.820 -0.095 0.000 1.877 33 A HA -0.099 4.881 4.320 1.100 0.000 0.216 33 A C 2.516 179.989 177.584 -0.185 0.000 1.186 33 A CA 1.873 53.880 52.037 -0.051 0.000 0.620 33 A CB -1.308 17.747 19.000 0.093 0.000 0.822 33 A HN 0.508 nan 8.150 nan 0.000 0.443 34 A N -0.491 121.978 122.820 -0.585 0.000 1.877 34 A HA -0.074 4.906 4.320 1.100 0.000 0.216 34 A C 2.444 179.828 177.584 -0.333 0.000 1.186 34 A CA 2.104 53.584 52.037 -0.929 0.000 0.620 34 A CB -0.942 17.372 19.000 -1.142 0.000 0.822 34 A HN 0.462 nan 8.150 nan 0.000 0.443 35 S N -0.096 115.460 115.700 -0.240 0.000 2.370 35 S HA -0.136 4.994 4.470 1.100 0.000 0.226 35 S C 1.796 176.312 174.600 -0.140 0.000 1.033 35 S CA 1.577 59.678 58.200 -0.165 0.000 1.011 35 S CB -0.499 62.610 63.200 -0.153 0.000 0.852 35 S HN 0.542 nan 8.310 nan 0.000 0.457 36 I N 0.904 121.407 120.570 -0.111 0.000 2.252 36 I HA -0.148 4.682 4.170 1.100 0.000 0.245 36 I C 2.300 178.424 176.117 0.012 0.000 1.102 36 I CA 0.697 61.956 61.300 -0.069 0.000 1.385 36 I CB -0.302 37.665 38.000 -0.056 0.000 1.064 36 I HN 0.240 nan 8.210 nan 0.000 0.414 37 L N 1.082 122.343 121.223 0.063 0.000 2.046 37 L HA -0.206 4.794 4.340 1.100 0.000 0.208 37 L C 2.590 179.571 176.870 0.185 0.000 1.077 37 L CA 1.821 56.771 54.840 0.184 0.000 0.747 37 L CB -0.710 41.541 42.059 0.320 0.000 0.896 37 L HN 0.091 nan 8.230 nan 0.000 0.432 38 R N -0.731 119.817 120.500 0.080 0.000 2.096 38 R HA -0.118 4.882 4.340 1.100 0.000 0.235 38 R C 2.292 178.566 176.300 -0.043 0.000 1.127 38 R CA 1.559 57.677 56.100 0.030 0.000 0.968 38 R CB -0.292 29.952 30.300 -0.093 0.000 0.861 38 R HN 0.463 nan 8.270 nan 0.000 0.440 39 L N -0.566 120.630 121.223 -0.045 0.000 2.083 39 L HA -0.221 4.779 4.340 1.100 0.000 0.209 39 L C 2.534 179.466 176.870 0.104 0.000 1.083 39 L CA 1.605 56.430 54.840 -0.026 0.000 0.752 39 L CB -0.611 41.392 42.059 -0.092 0.000 0.899 39 L HN 0.350 nan 8.230 nan 0.000 0.433 40 H N -0.219 118.884 119.070 0.055 0.000 2.357 40 H HA -0.250 4.967 4.556 1.102 0.000 0.301 40 H C 1.922 177.351 175.328 0.168 0.000 1.082 40 H CA 1.764 57.871 56.048 0.099 0.000 1.342 40 H CB -0.196 29.622 29.762 0.094 0.000 1.389 40 H HN 0.278 nan 8.280 nan 0.000 0.511 41 F N 0.720 120.641 119.950 -0.048 0.000 2.075 41 F HA -0.177 5.004 4.527 1.090 0.000 0.297 41 F C 2.124 177.935 175.800 0.018 0.000 1.113 41 F CA 2.169 60.107 58.000 -0.103 0.000 1.218 41 F CB -1.081 37.849 39.000 -0.115 0.000 0.984 41 F HN 0.348 nan 8.300 nan 0.000 0.472 42 H N -1.389 117.390 119.070 -0.485 0.000 2.521 42 H HA -0.116 5.097 4.556 1.095 0.000 0.286 42 H C 1.563 176.771 175.328 -0.199 0.000 1.034 42 H CA 0.704 56.447 56.048 -0.509 0.000 1.278 42 H CB 0.016 29.592 29.762 -0.310 0.000 1.386 42 H HN 0.364 nan 8.280 nan 0.000 0.567 43 D N 0.269 120.681 120.400 0.020 0.000 2.110 43 D HA -0.104 5.196 4.640 1.100 0.000 0.202 43 D C 2.171 178.465 176.300 -0.009 0.000 0.975 43 D CA 0.758 54.781 54.000 0.038 0.000 0.839 43 D CB -0.467 40.383 40.800 0.084 0.000 0.996 43 D HN 0.215 nan 8.370 nan 0.000 0.464 44 c N -0.066 118.503 118.600 -0.051 0.000 2.422 44 c HA -0.057 5.173 4.570 1.100 0.000 0.279 44 c C 2.297 176.394 174.090 0.011 0.000 1.305 44 c CA 0.154 56.459 56.329 -0.040 0.000 1.757 44 c CB -1.557 40.901 42.510 -0.088 0.000 1.962 44 c HN 0.273 nan 8.230 nan 0.000 0.499 45 F N 0.458 120.273 119.950 -0.224 0.000 2.802 45 F HA 0.156 5.344 4.527 1.102 0.000 0.300 45 F C 0.707 176.378 175.800 -0.215 0.000 1.168 45 F CA 0.630 58.487 58.000 -0.239 0.000 1.433 45 F CB -0.014 38.778 39.000 -0.347 0.000 1.115 45 F HN -0.044 nan 8.300 nan 0.000 0.582 46 V N 0.269 120.143 119.914 -0.067 0.000 2.398 46 V HA 0.228 5.009 4.120 1.100 0.000 0.282 46 V C 0.198 176.166 176.094 -0.210 0.000 1.014 46 V CA -1.018 61.210 62.300 -0.121 0.000 0.838 46 V CB 0.953 32.747 31.823 -0.049 0.000 1.018 46 V HN 0.273 nan 8.190 nan 0.000 0.432 47 N N 3.395 121.893 118.700 -0.338 0.000 2.753 47 N HA -0.156 5.244 4.740 1.100 0.000 0.251 47 N C 0.377 175.742 175.510 -0.241 0.000 1.097 47 N CA 2.030 54.819 53.050 -0.435 0.000 0.786 47 N CB -0.748 37.209 38.487 -0.883 0.000 1.137 47 N HN 1.859 nan 8.380 nan 0.000 0.566 48 G N -1.989 106.704 108.800 -0.178 0.000 2.756 48 G HA2 -0.227 4.393 3.960 1.100 0.000 0.678 48 G HA3 -0.227 4.393 3.960 1.100 0.000 0.678 48 G C -0.002 174.860 174.900 -0.062 0.000 1.349 48 G CA -0.406 44.622 45.100 -0.119 0.000 0.847 48 G HN 0.852 nan 8.290 nan 0.000 0.548 49 c N 1.366 119.945 118.600 -0.035 0.000 2.305 49 c HA 0.482 5.712 4.570 1.100 0.000 0.378 49 c C 0.920 175.031 174.090 0.035 0.000 1.047 49 c CA 0.168 56.506 56.329 0.016 0.000 1.385 49 c CB -1.288 41.258 42.510 0.061 0.000 1.825 49 c HN 0.789 nan 8.230 nan 0.000 0.508 50 D N 0.549 120.974 120.400 0.041 0.000 2.563 50 D HA 0.256 5.556 4.640 1.100 0.000 0.237 50 D C 1.083 177.424 176.300 0.069 0.000 1.282 50 D CA 0.252 54.281 54.000 0.049 0.000 0.816 50 D CB -0.240 40.589 40.800 0.047 0.000 1.066 50 D HN 0.588 nan 8.370 nan 0.000 0.501 51 A N 0.727 123.598 122.820 0.085 0.000 2.816 51 A HA -0.292 4.688 4.320 1.100 0.000 0.270 51 A C 1.889 179.526 177.584 0.088 0.000 1.413 51 A CA 1.441 53.535 52.037 0.094 0.000 0.866 51 A CB -2.597 16.452 19.000 0.081 0.000 1.032 51 A HN 0.779 nan 8.150 nan 0.000 0.642 52 S N -0.612 115.145 115.700 0.096 0.000 2.399 52 S HA -0.092 5.038 4.470 1.100 0.000 0.231 52 S C 1.726 176.368 174.600 0.070 0.000 1.022 52 S CA 1.247 59.498 58.200 0.085 0.000 0.983 52 S CB -0.516 62.818 63.200 0.223 0.000 0.803 52 S HN 1.257 nan 8.310 nan 0.000 0.480 53 I N 0.884 121.520 120.570 0.109 0.000 2.614 53 I HA -0.019 4.811 4.170 1.100 0.000 0.258 53 I C 1.690 177.889 176.117 0.138 0.000 1.189 53 I CA 0.994 62.374 61.300 0.134 0.000 1.462 53 I CB -0.058 38.058 38.000 0.193 0.000 1.092 53 I HN 0.313 nan 8.210 nan 0.000 0.442 54 L N 0.543 121.849 121.223 0.138 0.000 2.478 54 L HA 0.042 5.042 4.340 1.100 0.000 0.223 54 L C 0.795 177.669 176.870 0.008 0.000 1.140 54 L CA 0.013 54.925 54.840 0.119 0.000 0.842 54 L CB -0.368 41.784 42.059 0.155 0.000 0.953 54 L HN 0.134 nan 8.230 nan 0.000 0.452 55 L N 0.527 121.761 121.223 0.019 0.000 2.416 55 L HA 0.078 5.078 4.340 1.100 0.000 0.272 55 L C 0.085 176.964 176.870 0.015 0.000 1.161 55 L CA -0.014 54.852 54.840 0.044 0.000 0.845 55 L CB 0.371 42.489 42.059 0.098 0.000 1.119 55 L HN 0.041 nan 8.230 nan 0.000 0.464 56 D N 1.304 121.707 120.400 0.006 0.000 2.432 56 D HA 0.170 5.470 4.640 1.100 0.000 0.258 56 D C 0.048 176.335 176.300 -0.021 0.000 1.146 56 D CA -0.496 53.476 54.000 -0.046 0.000 1.015 56 D CB 0.625 41.379 40.800 -0.076 0.000 1.107 56 D HN 0.361 nan 8.370 nan 0.000 0.529 57 N N -0.090 118.565 118.700 -0.074 0.000 2.395 57 N HA 0.063 5.463 4.740 1.100 0.000 0.246 57 N C -0.014 175.337 175.510 -0.265 0.000 1.246 57 N CA 0.587 53.556 53.050 -0.135 0.000 0.879 57 N CB 0.471 38.892 38.487 -0.109 0.000 1.098 57 N HN 0.422 nan 8.380 nan 0.000 0.444 58 T N -3.657 110.627 114.554 -0.449 0.000 2.841 58 T HA 0.301 5.311 4.350 1.100 0.000 0.296 58 T C 1.074 175.547 174.700 -0.377 0.000 1.166 58 T CA -0.558 61.243 62.100 -0.498 0.000 1.007 58 T CB 0.924 69.274 68.868 -0.864 0.000 1.253 58 T HN 0.422 nan 8.240 nan 0.000 0.511 59 T N -1.226 113.167 114.554 -0.269 0.000 3.072 59 T HA 0.011 5.021 4.350 1.100 0.000 0.266 59 T C 1.824 176.427 174.700 -0.162 0.000 1.127 59 T CA 1.139 63.134 62.100 -0.175 0.000 1.107 59 T CB -0.626 68.170 68.868 -0.119 0.000 0.910 59 T HN 0.788 nan 8.240 nan 0.000 0.513 60 S N 0.674 116.231 115.700 -0.238 0.000 2.483 60 S HA 0.357 5.487 4.470 1.100 0.000 0.221 60 S C 0.234 174.815 174.600 -0.032 0.000 1.030 60 S CA -0.803 57.323 58.200 -0.125 0.000 0.925 60 S CB -0.447 62.705 63.200 -0.080 0.000 0.795 60 S HN 0.700 nan 8.310 nan 0.000 0.511 61 F N 0.214 120.118 119.950 -0.078 0.000 2.619 61 F HA 0.823 6.009 4.527 1.098 0.000 0.308 61 F C -0.671 175.073 175.800 -0.094 0.000 1.097 61 F CA -1.642 56.299 58.000 -0.098 0.000 0.953 61 F CB 0.907 39.816 39.000 -0.152 0.000 1.287 61 F HN -0.307 nan 8.300 nan 0.000 0.446 62 R N 1.076 121.696 120.500 0.201 0.000 2.500 62 R HA 0.378 5.378 4.340 1.100 0.000 0.275 62 R C -0.052 176.347 176.300 0.166 0.000 1.051 62 R CA -0.620 55.543 56.100 0.104 0.000 1.088 62 R CB 1.341 31.660 30.300 0.033 0.000 1.063 62 R HN 0.940 nan 8.270 nan 0.000 0.511 63 T N 0.145 114.746 114.554 0.079 0.000 2.913 63 T HA 0.052 5.062 4.350 1.100 0.000 0.297 63 T C 1.006 175.708 174.700 0.003 0.000 1.029 63 T CA -0.179 61.952 62.100 0.051 0.000 1.104 63 T CB 0.476 69.332 68.868 -0.019 0.000 0.964 63 T HN 0.473 nan 8.240 nan 0.000 0.532 64 E N 1.954 122.154 120.200 0.001 0.000 2.418 64 E HA -0.039 4.971 4.350 1.100 0.000 0.197 64 E C 1.825 178.425 176.600 0.001 0.000 1.026 64 E CA 0.553 56.956 56.400 0.006 0.000 0.862 64 E CB 0.164 29.886 29.700 0.037 0.000 0.799 64 E HN 0.635 nan 8.360 nan 0.000 0.518 65 K N 0.659 121.041 120.400 -0.029 0.000 2.360 65 K HA -0.099 4.881 4.320 1.100 0.000 0.201 65 K C 0.651 177.244 176.600 -0.013 0.000 1.046 65 K CA 0.733 57.004 56.287 -0.026 0.000 0.945 65 K CB 0.191 32.591 32.500 -0.167 0.000 0.750 65 K HN 0.033 nan 8.250 nan 0.000 0.464 66 D N 0.425 120.796 120.400 -0.049 0.000 2.388 66 D HA 0.103 5.403 4.640 1.100 0.000 0.221 66 D C -0.088 176.108 176.300 -0.174 0.000 1.133 66 D CA 0.072 54.022 54.000 -0.084 0.000 0.831 66 D CB 0.332 41.079 40.800 -0.088 0.000 0.962 66 D HN 0.124 nan 8.370 nan 0.000 0.502 67 A N -0.243 122.498 122.820 -0.132 0.000 2.332 67 A HA 0.239 5.219 4.320 1.100 0.000 0.258 67 A C 0.802 178.286 177.584 -0.167 0.000 1.087 67 A CA -0.344 51.570 52.037 -0.204 0.000 0.802 67 A CB 0.176 19.129 19.000 -0.078 0.000 1.042 67 A HN -0.009 nan 8.150 nan 0.000 0.489 68 F N 1.332 121.327 119.950 0.075 0.000 2.202 68 F HA -0.067 5.146 4.527 1.143 0.000 0.301 68 F C 2.403 178.270 175.800 0.112 0.000 1.082 68 F CA 1.962 60.028 58.000 0.110 0.000 1.313 68 F CB -0.621 38.456 39.000 0.127 0.000 1.024 68 F HN 0.620 nan 8.300 nan 0.000 0.495 69 G N -1.243 107.670 108.800 0.188 0.000 2.712 69 G HA2 -0.099 4.521 3.960 1.100 0.000 0.212 69 G HA3 -0.099 4.521 3.960 1.100 0.000 0.212 69 G C 1.487 176.501 174.900 0.190 0.000 1.142 69 G CA 0.340 45.504 45.100 0.107 0.000 0.789 69 G HN 0.240 nan 8.290 nan 0.000 0.535 70 N N 0.469 119.265 118.700 0.160 0.000 2.510 70 N HA 0.139 5.539 4.740 1.100 0.000 0.186 70 N C 1.226 176.851 175.510 0.192 0.000 1.051 70 N CA 0.308 53.487 53.050 0.214 0.000 0.877 70 N CB 0.119 38.721 38.487 0.192 0.000 1.183 70 N HN 0.183 nan 8.380 nan 0.000 0.443 71 A N 1.821 124.724 122.820 0.137 0.000 2.548 71 A HA 0.063 5.043 4.320 1.100 0.000 0.247 71 A C 0.785 178.464 177.584 0.158 0.000 1.067 71 A CA 0.188 52.296 52.037 0.119 0.000 0.757 71 A CB -0.487 18.554 19.000 0.068 0.000 0.996 71 A HN 0.485 nan 8.150 nan 0.000 0.504 72 N N 0.460 119.242 118.700 0.137 0.000 2.721 72 N HA -0.191 5.209 4.740 1.100 0.000 0.249 72 N C 0.348 175.956 175.510 0.163 0.000 1.072 72 N CA 1.707 54.835 53.050 0.131 0.000 0.710 72 N CB -1.024 37.528 38.487 0.109 0.000 0.993 72 N HN 0.773 nan 8.380 nan 0.000 0.547 73 S N -2.276 113.533 115.700 0.182 0.000 4.193 73 S HA 0.530 5.661 4.470 1.100 0.000 0.211 73 S C 0.068 174.752 174.600 0.140 0.000 1.162 73 S CA 0.457 58.772 58.200 0.191 0.000 1.039 73 S CB -0.435 62.917 63.200 0.254 0.000 1.371 73 S HN 0.679 nan 8.310 nan 0.000 0.550 74 A N 3.167 126.086 122.820 0.164 0.000 2.498 74 A HA 0.590 5.570 4.320 1.100 0.000 0.239 74 A C 0.310 177.921 177.584 0.044 0.000 1.068 74 A CA 0.065 52.158 52.037 0.093 0.000 0.766 74 A CB -0.113 19.032 19.000 0.241 0.000 1.003 74 A HN 0.731 nan 8.150 nan 0.000 0.497 75 R N 0.333 120.710 120.500 -0.206 0.000 2.766 75 R HA 0.702 5.703 4.340 1.100 0.000 0.270 75 R C 0.382 176.424 176.300 -0.430 0.000 1.035 75 R CA -0.392 55.575 56.100 -0.221 0.000 0.911 75 R CB 0.575 30.841 30.300 -0.058 0.000 1.243 75 R HN 2.043 nan 8.270 nan 0.000 0.460 76 G N -0.204 108.436 108.800 -0.267 0.000 2.176 76 G HA2 -0.258 4.362 3.960 1.100 0.000 0.232 76 G HA3 -0.258 4.362 3.960 1.100 0.000 0.232 76 G C 0.185 174.966 174.900 -0.198 0.000 0.986 76 G CA 0.225 45.193 45.100 -0.220 0.000 0.643 76 G HN 0.451 nan 8.290 nan 0.000 0.522 77 F N 1.368 121.327 119.950 0.014 0.000 2.120 77 F HA 0.041 5.224 4.527 1.094 0.000 0.300 77 F C 0.651 176.457 175.800 0.010 0.000 1.095 77 F CA 2.012 60.022 58.000 0.016 0.000 1.249 77 F CB -1.471 37.541 39.000 0.020 0.000 0.995 77 F HN 0.247 nan 8.300 nan 0.000 0.480 78 P HA -0.100 nan 4.420 nan 0.000 0.218 78 P C 1.874 179.207 177.300 0.054 0.000 1.149 78 P CA 1.127 64.286 63.100 0.099 0.000 0.817 78 P CB 0.018 31.764 31.700 0.076 0.000 0.785 79 V N -0.216 119.715 119.914 0.029 0.000 2.427 79 V HA -0.194 4.586 4.120 1.100 0.000 0.248 79 V C 2.250 178.347 176.094 0.005 0.000 1.051 79 V CA 1.415 63.717 62.300 0.003 0.000 1.048 79 V CB -1.011 30.798 31.823 -0.023 0.000 0.666 79 V HN 0.059 nan 8.190 nan 0.000 0.456 80 I N 0.202 120.782 120.570 0.017 0.000 2.315 80 I HA -0.160 4.670 4.170 1.100 0.000 0.248 80 I C 2.275 178.414 176.117 0.035 0.000 1.117 80 I CA 1.439 62.754 61.300 0.025 0.000 1.404 80 I CB -1.248 36.785 38.000 0.055 0.000 1.071 80 I HN 0.341 nan 8.210 nan 0.000 0.419 81 D N 0.530 120.963 120.400 0.054 0.000 2.117 81 D HA -0.200 5.100 4.640 1.100 0.000 0.197 81 D C 2.267 178.580 176.300 0.021 0.000 0.987 81 D CA 0.990 55.016 54.000 0.043 0.000 0.829 81 D CB -0.174 40.657 40.800 0.051 0.000 0.961 81 D HN 0.303 nan 8.370 nan 0.000 0.460 82 R N 0.597 121.107 120.500 0.016 0.000 2.070 82 R HA -0.122 4.878 4.340 1.100 0.000 0.233 82 R C 2.582 178.879 176.300 -0.006 0.000 1.137 82 R CA 1.608 57.711 56.100 0.005 0.000 0.945 82 R CB -0.164 30.138 30.300 0.003 0.000 0.845 82 R HN 0.226 nan 8.270 nan 0.000 0.430 83 M N -0.242 119.351 119.600 -0.011 0.000 2.229 83 M HA -0.046 5.095 4.480 1.100 0.000 0.264 83 M C 2.021 178.305 176.300 -0.027 0.000 1.063 83 M CA 1.720 57.005 55.300 -0.024 0.000 1.114 83 M CB -0.302 32.279 32.600 -0.033 0.000 1.387 83 M HN -0.135 nan 8.290 nan 0.000 0.420 84 K N 1.553 121.944 120.400 -0.016 0.000 2.057 84 K HA 0.016 4.996 4.320 1.100 0.000 0.207 84 K C 2.040 178.630 176.600 -0.017 0.000 1.049 84 K CA 2.057 58.334 56.287 -0.017 0.000 0.931 84 K CB -0.739 31.762 32.500 0.001 0.000 0.714 84 K HN 0.427 nan 8.250 nan 0.000 0.440 85 A N 0.579 123.394 122.820 -0.009 0.000 1.902 85 A HA -0.036 4.944 4.320 1.100 0.000 0.217 85 A C 2.403 179.978 177.584 -0.016 0.000 1.181 85 A CA 2.088 54.120 52.037 -0.009 0.000 0.623 85 A CB -1.125 17.873 19.000 -0.003 0.000 0.818 85 A HN 0.449 nan 8.150 nan 0.000 0.443 86 A N -0.663 122.146 122.820 -0.019 0.000 1.902 86 A HA 0.009 4.989 4.320 1.100 0.000 0.217 86 A C 2.209 179.773 177.584 -0.033 0.000 1.181 86 A CA 1.794 53.816 52.037 -0.024 0.000 0.623 86 A CB -0.844 18.141 19.000 -0.025 0.000 0.818 86 A HN 0.398 nan 8.150 nan 0.000 0.443 87 V N 0.091 119.979 119.914 -0.044 0.000 2.453 87 V HA -0.157 4.623 4.120 1.100 0.000 0.247 87 V C 2.473 178.535 176.094 -0.054 0.000 1.048 87 V CA 1.868 64.130 62.300 -0.063 0.000 1.049 87 V CB -0.634 31.135 31.823 -0.090 0.000 0.672 87 V HN 0.479 nan 8.190 nan 0.000 0.457 88 E N -0.096 120.081 120.200 -0.038 0.000 2.150 88 E HA -0.161 4.849 4.350 1.100 0.000 0.193 88 E C 2.481 179.069 176.600 -0.021 0.000 0.985 88 E CA 1.442 57.827 56.400 -0.026 0.000 0.814 88 E CB -0.295 29.396 29.700 -0.015 0.000 0.752 88 E HN 0.548 nan 8.360 nan 0.000 0.466 89 S N 0.142 115.830 115.700 -0.021 0.000 2.371 89 S HA -0.059 5.071 4.470 1.100 0.000 0.224 89 S C 2.005 176.594 174.600 -0.019 0.000 1.029 89 S CA 1.167 59.357 58.200 -0.016 0.000 0.978 89 S CB 0.032 63.223 63.200 -0.015 0.000 0.833 89 S HN 0.284 nan 8.310 nan 0.000 0.466 90 A N -0.411 122.394 122.820 -0.025 0.000 1.929 90 A HA 0.140 5.120 4.320 1.100 0.000 0.216 90 A C 1.108 178.676 177.584 -0.027 0.000 1.176 90 A CA 0.997 53.018 52.037 -0.026 0.000 0.628 90 A CB -0.398 18.581 19.000 -0.034 0.000 0.816 90 A HN 0.620 nan 8.150 nan 0.000 0.444 91 c N -0.100 118.480 118.600 -0.033 0.000 3.287 91 c HA 0.407 5.637 4.570 1.100 0.000 0.260 91 c C -2.909 171.168 174.090 -0.022 0.000 1.133 91 c CA -1.627 54.685 56.329 -0.029 0.000 1.402 91 c CB 0.218 42.701 42.510 -0.046 0.000 1.832 91 c HN 0.239 nan 8.230 nan 0.000 0.509 92 P HA 0.060 nan 4.420 nan 0.000 0.261 92 P C 0.351 177.656 177.300 0.008 0.000 1.173 92 P CA 0.792 63.890 63.100 -0.002 0.000 0.760 92 P CB 0.253 31.954 31.700 0.000 0.000 0.783 93 R N 0.662 121.169 120.500 0.012 0.000 3.405 93 R HA -0.190 4.810 4.340 1.100 0.000 0.258 93 R C 0.428 176.759 176.300 0.051 0.000 1.030 93 R CA 0.939 57.056 56.100 0.029 0.000 0.691 93 R CB -2.677 27.641 30.300 0.030 0.000 1.093 93 R HN 0.526 nan 8.270 nan 0.000 0.448 94 T N -1.520 113.060 114.554 0.044 0.000 3.138 94 T HA 0.128 5.138 4.350 1.100 0.000 0.245 94 T C 0.673 175.460 174.700 0.145 0.000 0.982 94 T CA 0.389 62.548 62.100 0.099 0.000 1.134 94 T CB 0.635 69.538 68.868 0.058 0.000 1.032 94 T HN 0.049 nan 8.240 nan 0.000 0.442 95 V N 4.307 124.181 119.914 -0.067 0.000 2.406 95 V HA 0.432 5.213 4.120 1.100 0.000 0.272 95 V C 0.486 176.575 176.094 -0.008 0.000 1.043 95 V CA -1.058 61.118 62.300 -0.205 0.000 0.915 95 V CB 0.911 32.441 31.823 -0.488 0.000 0.988 95 V HN 0.577 nan 8.190 nan 0.000 0.466 96 S N 3.400 119.168 115.700 0.114 0.000 2.584 96 S HA 0.057 5.187 4.470 1.100 0.000 0.270 96 S C 1.210 175.837 174.600 0.045 0.000 1.346 96 S CA -0.441 57.810 58.200 0.085 0.000 1.018 96 S CB 0.852 64.111 63.200 0.099 0.000 0.899 96 S HN 0.726 nan 8.310 nan 0.000 0.542 97 c N 1.487 120.113 118.600 0.043 0.000 2.435 97 c HA 0.046 5.276 4.570 1.100 0.000 0.279 97 c C 3.122 177.243 174.090 0.053 0.000 1.321 97 c CA 0.855 57.208 56.329 0.041 0.000 1.752 97 c CB -2.085 40.456 42.510 0.052 0.000 1.959 97 c HN 1.013 nan 8.230 nan 0.000 0.500 98 A N 0.847 123.704 122.820 0.061 0.000 1.877 98 A HA -0.217 4.763 4.320 1.100 0.000 0.216 98 A C 1.817 179.442 177.584 0.068 0.000 1.186 98 A CA 2.241 54.322 52.037 0.074 0.000 0.620 98 A CB -0.587 18.448 19.000 0.058 0.000 0.822 98 A HN 0.506 nan 8.150 nan 0.000 0.443 99 D N -0.674 119.762 120.400 0.059 0.000 2.117 99 D HA -0.090 5.210 4.640 1.100 0.000 0.198 99 D C 1.865 178.173 176.300 0.014 0.000 0.982 99 D CA 1.054 55.094 54.000 0.066 0.000 0.828 99 D CB -0.375 40.543 40.800 0.196 0.000 0.967 99 D HN 0.310 nan 8.370 nan 0.000 0.464 100 L N 0.509 121.728 121.223 -0.006 0.000 2.012 100 L HA -0.150 4.850 4.340 1.100 0.000 0.210 100 L C 2.074 178.911 176.870 -0.054 0.000 1.073 100 L CA 1.330 56.142 54.840 -0.047 0.000 0.748 100 L CB -0.526 41.508 42.059 -0.041 0.000 0.891 100 L HN 0.035 nan 8.230 nan 0.000 0.431 101 L N -1.272 119.940 121.223 -0.019 0.000 2.141 101 L HA -0.134 4.867 4.340 1.100 0.000 0.209 101 L C 2.266 179.041 176.870 -0.158 0.000 1.094 101 L CA 2.208 57.036 54.840 -0.021 0.000 0.763 101 L CB -0.959 41.150 42.059 0.082 0.000 0.908 101 L HN 0.322 nan 8.230 nan 0.000 0.437 102 T N -0.217 114.209 114.554 -0.213 0.000 2.737 102 T HA -0.110 4.901 4.350 1.100 0.000 0.265 102 T C 1.976 176.437 174.700 -0.398 0.000 1.038 102 T CA 1.918 63.700 62.100 -0.530 0.000 1.144 102 T CB -0.249 68.490 68.868 -0.215 0.000 0.866 102 T HN 0.307 nan 8.240 nan 0.000 0.434 103 I N 1.425 121.854 120.570 -0.235 0.000 2.226 103 I HA -0.159 4.672 4.170 1.100 0.000 0.245 103 I C 2.946 178.926 176.117 -0.229 0.000 1.100 103 I CA 1.035 62.198 61.300 -0.228 0.000 1.374 103 I CB -0.506 37.406 38.000 -0.146 0.000 1.057 103 I HN 0.186 nan 8.210 nan 0.000 0.413 104 A N 0.858 123.572 122.820 -0.176 0.000 1.940 104 A HA -0.188 4.792 4.320 1.100 0.000 0.219 104 A C 2.545 180.046 177.584 -0.139 0.000 1.176 104 A CA 1.956 53.913 52.037 -0.135 0.000 0.631 104 A CB -0.776 18.169 19.000 -0.091 0.000 0.814 104 A HN 0.444 nan 8.150 nan 0.000 0.446 105 A N -1.029 121.682 122.820 -0.182 0.000 1.873 105 A HA -0.202 4.778 4.320 1.100 0.000 0.215 105 A C 2.227 179.730 177.584 -0.135 0.000 1.186 105 A CA 1.783 53.752 52.037 -0.114 0.000 0.616 105 A CB -0.538 18.366 19.000 -0.161 0.000 0.823 105 A HN 0.559 nan 8.150 nan 0.000 0.442 106 Q N -0.673 118.942 119.800 -0.307 0.000 2.084 106 Q HA -0.215 4.785 4.340 1.100 0.000 0.202 106 Q C 2.019 177.770 176.000 -0.416 0.000 0.978 106 Q CA 1.797 57.269 55.803 -0.551 0.000 0.844 106 Q CB -0.330 27.803 28.738 -1.009 0.000 0.898 106 Q HN 0.650 nan 8.270 nan 0.000 0.426 107 Q N 0.003 119.621 119.800 -0.304 0.000 2.170 107 Q HA -0.055 4.945 4.340 1.100 0.000 0.203 107 Q C 2.220 178.145 176.000 -0.126 0.000 0.976 107 Q CA 1.319 56.999 55.803 -0.205 0.000 0.858 107 Q CB -0.203 28.440 28.738 -0.159 0.000 0.907 107 Q HN 0.299 nan 8.270 nan 0.000 0.433 108 S N 0.341 115.989 115.700 -0.087 0.000 2.368 108 S HA -0.094 5.036 4.470 1.100 0.000 0.225 108 S C 2.187 176.803 174.600 0.025 0.000 1.030 108 S CA 1.045 59.247 58.200 0.004 0.000 0.999 108 S CB -0.185 63.043 63.200 0.046 0.000 0.844 108 S HN 0.139 nan 8.310 nan 0.000 0.459 109 V N 1.711 121.577 119.914 -0.080 0.000 2.295 109 V HA -0.193 4.587 4.120 1.100 0.000 0.246 109 V C 2.522 178.416 176.094 -0.333 0.000 1.049 109 V CA 2.155 64.246 62.300 -0.349 0.000 1.024 109 V CB -1.283 30.264 31.823 -0.460 0.000 0.648 109 V HN 0.516 nan 8.190 nan 0.000 0.447 110 T N 0.278 114.704 114.554 -0.213 0.000 2.708 110 T HA -0.129 4.882 4.350 1.100 0.000 0.266 110 T C 1.900 176.558 174.700 -0.069 0.000 1.037 110 T CA 1.461 63.474 62.100 -0.145 0.000 1.146 110 T CB -0.318 68.473 68.868 -0.128 0.000 0.865 110 T HN 0.284 nan 8.240 nan 0.000 0.435 111 L N 0.727 121.924 121.223 -0.042 0.000 2.127 111 L HA -0.061 4.939 4.340 1.100 0.000 0.211 111 L C 2.653 179.554 176.870 0.052 0.000 1.089 111 L CA 0.992 55.835 54.840 0.006 0.000 0.757 111 L CB -0.476 41.590 42.059 0.011 0.000 0.899 111 L HN 0.240 nan 8.230 nan 0.000 0.434 112 A N -0.770 122.098 122.820 0.082 0.000 2.259 112 A HA 0.312 5.292 4.320 1.100 0.000 0.208 112 A C 1.636 179.297 177.584 0.128 0.000 1.201 112 A CA 0.742 52.877 52.037 0.162 0.000 0.824 112 A CB -0.397 18.798 19.000 0.326 0.000 0.838 112 A HN 0.537 nan 8.150 nan 0.000 0.485 113 G N -2.267 106.578 108.800 0.074 0.000 2.176 113 G HA2 -0.029 4.591 3.960 1.100 0.000 0.232 113 G HA3 -0.029 4.591 3.960 1.100 0.000 0.232 113 G C 0.744 175.717 174.900 0.122 0.000 0.986 113 G CA 0.193 45.360 45.100 0.113 0.000 0.643 113 G HN 1.274 nan 8.290 nan 0.000 0.522 114 G N 0.259 109.002 108.800 -0.096 0.000 2.535 114 G HA2 0.700 5.320 3.960 1.100 0.000 0.282 114 G HA3 0.700 5.320 3.960 1.100 0.000 0.282 114 G C -1.582 172.998 174.900 -0.532 0.000 1.350 114 G CA -0.371 44.425 45.100 -0.507 0.000 1.039 114 G HN 0.298 nan 8.290 nan 0.000 0.509 115 P HA 0.187 nan 4.420 nan 0.000 0.272 115 P C -0.596 176.737 177.300 0.055 0.000 1.230 115 P CA -0.019 62.895 63.100 -0.310 0.000 0.788 115 P CB 1.439 32.890 31.700 -0.416 0.000 0.949 116 S N 1.422 117.217 115.700 0.158 0.000 2.473 116 S HA 0.745 5.875 4.470 1.100 0.000 0.307 116 S C -1.427 173.363 174.600 0.318 0.000 1.094 116 S CA -0.595 57.704 58.200 0.165 0.000 1.070 116 S CB 0.035 63.265 63.200 0.050 0.000 1.019 116 S HN 0.620 nan 8.310 nan 0.000 0.480 117 W N 3.494 124.744 121.300 -0.084 0.000 3.066 117 W HA 0.617 5.936 4.660 1.098 0.000 0.330 117 W C -1.775 174.712 176.519 -0.053 0.000 1.253 117 W CA -1.100 56.209 57.345 -0.061 0.000 1.187 117 W CB 0.612 30.030 29.460 -0.069 0.000 1.434 117 W HN 0.477 nan 8.180 nan 0.000 0.572 118 R N 2.682 123.177 120.500 -0.009 0.000 2.207 118 R HA 0.453 5.453 4.340 1.100 0.000 0.334 118 R C 0.084 176.336 176.300 -0.079 0.000 1.013 118 R CA -0.812 55.212 56.100 -0.128 0.000 0.858 118 R CB 1.449 31.741 30.300 -0.014 0.000 1.094 118 R HN 0.538 nan 8.270 nan 0.000 0.457 119 V N 1.432 121.196 119.914 -0.250 0.000 2.775 119 V HA 0.342 5.122 4.120 1.100 0.000 0.299 119 V C -2.239 173.863 176.094 0.012 0.000 1.062 119 V CA -2.190 60.072 62.300 -0.063 0.000 1.063 119 V CB 0.601 32.331 31.823 -0.155 0.000 0.994 119 V HN 0.536 nan 8.190 nan 0.000 0.483 120 P HA 0.433 nan 4.420 nan 0.000 0.268 120 P C -0.677 176.614 177.300 -0.014 0.000 1.205 120 P CA 0.118 63.233 63.100 0.026 0.000 0.771 120 P CB 0.535 32.254 31.700 0.032 0.000 0.858 121 L N 1.014 122.203 121.223 -0.057 0.000 2.303 121 L HA 0.763 5.763 4.340 1.100 0.000 0.256 121 L C 1.076 177.657 176.870 -0.481 0.000 1.034 121 L CA -0.557 54.188 54.840 -0.158 0.000 0.832 121 L CB 1.912 43.944 42.059 -0.045 0.000 1.403 121 L HN 0.622 nan 8.230 nan 0.000 0.419 122 G N 0.163 108.437 108.800 -0.877 0.000 2.198 122 G HA2 -0.136 4.484 3.960 1.100 0.000 0.156 122 G HA3 -0.136 4.484 3.960 1.100 0.000 0.156 122 G C 0.044 174.546 174.900 -0.664 0.000 1.012 122 G CA -0.666 43.538 45.100 -1.493 0.000 0.692 122 G HN 0.443 nan 8.290 nan 0.000 0.492 123 R N 0.238 120.530 120.500 -0.346 0.000 2.641 123 R HA 0.686 5.686 4.340 1.100 0.000 0.269 123 R C 0.575 176.816 176.300 -0.098 0.000 1.074 123 R CA 0.095 56.101 56.100 -0.157 0.000 1.133 123 R CB 0.618 30.881 30.300 -0.061 0.000 1.029 123 R HN 0.265 nan 8.270 nan 0.000 0.488 124 R N 0.289 120.761 120.500 -0.047 0.000 2.919 124 R HA 0.269 5.269 4.340 1.100 0.000 0.260 124 R C -0.996 175.316 176.300 0.020 0.000 1.067 124 R CA -0.990 55.109 56.100 -0.001 0.000 1.003 124 R CB 1.308 31.610 30.300 0.003 0.000 1.192 124 R HN 0.514 nan 8.270 nan 0.000 0.488 125 D N 0.912 121.333 120.400 0.035 0.000 2.256 125 D HA 0.084 5.384 4.640 1.100 0.000 0.250 125 D C 0.072 176.394 176.300 0.037 0.000 1.093 125 D CA -0.037 53.987 54.000 0.040 0.000 0.882 125 D CB 1.518 42.344 40.800 0.044 0.000 1.185 125 D HN 0.487 nan 8.370 nan 0.000 0.437 126 S N 1.108 116.834 115.700 0.043 0.000 2.576 126 S HA 0.098 5.228 4.470 1.100 0.000 0.272 126 S C 0.997 175.594 174.600 -0.004 0.000 1.352 126 S CA -0.403 57.823 58.200 0.044 0.000 1.021 126 S CB 0.612 63.867 63.200 0.092 0.000 0.887 126 S HN 0.454 nan 8.310 nan 0.000 0.542 127 L N 1.045 122.251 121.223 -0.028 0.000 2.667 127 L HA 0.290 5.290 4.340 1.100 0.000 0.232 127 L C 0.817 177.586 176.870 -0.168 0.000 1.138 127 L CA -0.158 54.656 54.840 -0.044 0.000 0.921 127 L CB -0.668 41.386 42.059 -0.007 0.000 1.180 127 L HN 0.854 nan 8.230 nan 0.000 0.487 128 Q N -1.129 118.422 119.800 -0.415 0.000 2.756 128 Q HA 0.717 5.717 4.340 1.100 0.000 0.295 128 Q C -1.695 173.532 176.000 -1.288 0.000 0.903 128 Q CA -0.921 54.232 55.803 -1.082 0.000 0.768 128 Q CB 2.024 30.180 28.738 -0.971 0.000 1.472 128 Q HN -0.089 nan 8.270 nan 0.000 0.416 129 A N 0.616 122.374 122.820 -1.769 0.000 2.330 129 A HA 0.837 5.817 4.320 1.100 0.000 0.329 129 A C -1.388 175.564 177.584 -1.054 0.000 1.135 129 A CA -0.692 50.749 52.037 -0.994 0.000 0.817 129 A CB 0.712 19.434 19.000 -0.463 0.000 1.269 129 A HN 0.523 nan 8.150 nan 0.000 0.469 130 F N 2.089 121.934 119.950 -0.174 0.000 2.564 130 F HA 0.268 5.453 4.527 1.097 0.000 0.361 130 F C 0.831 176.597 175.800 -0.058 0.000 1.161 130 F CA -0.490 57.447 58.000 -0.105 0.000 1.198 130 F CB 1.099 40.042 39.000 -0.095 0.000 1.424 130 F HN 0.500 nan 8.300 nan 0.000 0.517 131 L N 1.108 122.370 121.223 0.064 0.000 2.017 131 L HA -0.136 4.864 4.340 1.100 0.000 0.208 131 L C 1.851 178.753 176.870 0.052 0.000 1.073 131 L CA 2.138 57.001 54.840 0.037 0.000 0.745 131 L CB -0.372 41.691 42.059 0.007 0.000 0.894 131 L HN 0.351 nan 8.230 nan 0.000 0.432 132 D N -0.575 119.870 120.400 0.075 0.000 2.117 132 D HA -0.195 5.105 4.640 1.100 0.000 0.197 132 D C 2.214 178.570 176.300 0.092 0.000 0.987 132 D CA 1.457 55.508 54.000 0.086 0.000 0.829 132 D CB -0.181 40.672 40.800 0.088 0.000 0.961 132 D HN 0.311 nan 8.370 nan 0.000 0.460 133 L N 0.914 122.198 121.223 0.102 0.000 2.083 133 L HA -0.060 4.940 4.340 1.100 0.000 0.209 133 L C 2.145 179.039 176.870 0.040 0.000 1.083 133 L CA 1.433 56.307 54.840 0.058 0.000 0.752 133 L CB -0.627 41.443 42.059 0.018 0.000 0.899 133 L HN -0.057 nan 8.230 nan 0.000 0.433 134 A N -0.673 122.175 122.820 0.047 0.000 1.898 134 A HA -0.185 4.795 4.320 1.100 0.000 0.216 134 A C 2.061 179.659 177.584 0.023 0.000 1.181 134 A CA 1.675 53.712 52.037 0.000 0.000 0.620 134 A CB -0.671 18.322 19.000 -0.012 0.000 0.819 134 A HN 0.555 nan 8.150 nan 0.000 0.442 135 N N 0.316 119.065 118.700 0.081 0.000 2.244 135 N HA -0.058 5.342 4.740 1.100 0.000 0.183 135 N C 1.720 177.349 175.510 0.197 0.000 1.016 135 N CA 1.420 54.588 53.050 0.196 0.000 0.866 135 N CB -0.380 38.272 38.487 0.276 0.000 0.980 135 N HN 0.496 nan 8.380 nan 0.000 0.430 136 A N 0.554 123.458 122.820 0.140 0.000 1.935 136 A HA 0.054 5.034 4.320 1.100 0.000 0.214 136 A C 1.890 179.556 177.584 0.137 0.000 1.178 136 A CA 0.868 52.987 52.037 0.138 0.000 0.640 136 A CB -0.080 18.979 19.000 0.099 0.000 0.825 136 A HN 0.155 nan 8.150 nan 0.000 0.447 137 N N -0.267 118.488 118.700 0.091 0.000 2.395 137 N HA 0.147 5.547 4.740 1.100 0.000 0.175 137 N C 0.176 175.768 175.510 0.136 0.000 1.029 137 N CA 0.220 53.331 53.050 0.101 0.000 0.897 137 N CB -0.206 38.298 38.487 0.029 0.000 0.991 137 N HN 0.380 nan 8.380 nan 0.000 0.441 138 L N 3.231 124.456 121.223 0.003 0.000 2.360 138 L HA 0.231 5.231 4.340 1.100 0.000 0.276 138 L C -1.827 174.975 176.870 -0.114 0.000 1.121 138 L CA -1.454 53.290 54.840 -0.159 0.000 0.845 138 L CB 0.403 42.218 42.059 -0.406 0.000 1.143 138 L HN -0.013 nan 8.230 nan 0.000 0.452 139 P HA 0.257 nan 4.420 nan 0.000 0.274 139 P C -1.069 175.737 177.300 -0.823 0.000 1.246 139 P CA -0.454 62.373 63.100 -0.456 0.000 0.795 139 P CB 1.407 33.100 31.700 -0.011 0.000 1.006 140 A N 2.157 123.932 122.820 -1.742 0.000 2.356 140 A HA 0.586 5.566 4.320 1.100 0.000 0.323 140 A C -1.726 175.278 177.584 -0.967 0.000 1.119 140 A CA -1.712 49.550 52.037 -1.291 0.000 0.790 140 A CB 0.820 18.780 19.000 -1.733 0.000 1.273 140 A HN 0.348 nan 8.150 nan 0.000 0.452 141 P HA -0.141 nan 4.420 nan 0.000 0.221 141 P C 0.763 178.075 177.300 0.021 0.000 1.145 141 P CA 1.342 64.341 63.100 -0.169 0.000 0.795 141 P CB -0.158 31.496 31.700 -0.077 0.000 0.775 142 F N -3.520 116.531 119.950 0.169 0.000 2.773 142 F HA 0.361 4.976 4.527 0.148 0.000 0.304 142 F C 0.621 176.649 175.800 0.380 0.000 1.129 142 F CA -1.530 56.630 58.000 0.266 0.000 1.378 142 F CB -1.315 37.821 39.000 0.226 0.000 1.095 142 F HN -0.360 nan 8.300 nan 0.000 0.565 143 F N 2.657 122.601 119.950 -0.011 0.000 2.506 143 F HA 0.256 5.452 4.527 1.115 0.000 0.351 143 F C 1.382 177.264 175.800 0.136 0.000 1.136 143 F CA -1.321 56.723 58.000 0.073 0.000 1.298 143 F CB 0.525 39.527 39.000 0.004 0.000 1.145 143 F HN 0.080 nan 8.300 nan 0.000 0.593 144 T N 0.883 115.585 114.554 0.248 0.000 2.816 144 T HA 0.244 5.254 4.350 1.100 0.000 0.282 144 T C 1.132 175.924 174.700 0.153 0.000 0.993 144 T CA -0.786 61.420 62.100 0.176 0.000 0.994 144 T CB 0.833 69.761 68.868 0.100 0.000 1.025 144 T HN 0.468 nan 8.240 nan 0.000 0.529 145 L N 1.394 122.688 121.223 0.119 0.000 2.046 145 L HA 0.160 5.161 4.340 1.100 0.000 0.208 145 L C -0.904 176.008 176.870 0.069 0.000 1.077 145 L CA 1.578 56.473 54.840 0.091 0.000 0.747 145 L CB -1.698 40.400 42.059 0.064 0.000 0.896 145 L HN 0.524 nan 8.230 nan 0.000 0.432 146 P HA -0.178 nan 4.420 nan 0.000 0.216 146 P C 1.475 178.788 177.300 0.022 0.000 1.150 146 P CA 1.478 64.595 63.100 0.028 0.000 0.837 146 P CB -0.017 31.690 31.700 0.013 0.000 0.786 147 Q N -0.996 118.798 119.800 -0.008 0.000 2.119 147 Q HA -0.073 4.928 4.340 1.100 0.000 0.201 147 Q C 2.151 178.215 176.000 0.107 0.000 0.972 147 Q CA 1.030 56.762 55.803 -0.117 0.000 0.847 147 Q CB -0.593 27.874 28.738 -0.452 0.000 0.903 147 Q HN 0.287 nan 8.270 nan 0.000 0.433 148 L N 0.604 121.972 121.223 0.243 0.000 2.017 148 L HA -0.213 4.787 4.340 1.100 0.000 0.208 148 L C 2.284 179.306 176.870 0.253 0.000 1.073 148 L CA 1.321 56.362 54.840 0.336 0.000 0.745 148 L CB -0.328 41.842 42.059 0.185 0.000 0.894 148 L HN 0.135 nan 8.230 nan 0.000 0.432 149 K N -0.179 120.298 120.400 0.129 0.000 2.057 149 K HA -0.182 4.798 4.320 1.100 0.000 0.207 149 K C 1.748 178.458 176.600 0.183 0.000 1.049 149 K CA 1.560 57.914 56.287 0.112 0.000 0.931 149 K CB -0.202 32.333 32.500 0.058 0.000 0.714 149 K HN 0.237 nan 8.250 nan 0.000 0.440 150 D N 0.379 120.867 120.400 0.147 0.000 2.123 150 D HA -0.147 5.153 4.640 1.100 0.000 0.196 150 D C 2.115 178.534 176.300 0.198 0.000 0.992 150 D CA 1.742 55.817 54.000 0.125 0.000 0.833 150 D CB -0.318 40.515 40.800 0.054 0.000 0.954 150 D HN 0.202 nan 8.370 nan 0.000 0.455 151 S N -0.182 115.712 115.700 0.324 0.000 2.368 151 S HA -0.163 4.967 4.470 1.100 0.000 0.225 151 S C 2.066 176.919 174.600 0.422 0.000 1.030 151 S CA 0.673 59.127 58.200 0.425 0.000 0.999 151 S CB -0.736 62.851 63.200 0.646 0.000 0.844 151 S HN 0.088 nan 8.310 nan 0.000 0.459 152 F N 2.336 122.442 119.950 0.261 0.000 2.163 152 F HA 0.218 5.399 4.527 1.090 0.000 0.297 152 F C 2.761 178.565 175.800 0.007 0.000 1.094 152 F CA 0.762 58.875 58.000 0.189 0.000 1.290 152 F CB -0.497 38.648 39.000 0.243 0.000 1.017 152 F HN 0.107 nan 8.300 nan 0.000 0.483 153 R N -0.166 120.466 120.500 0.220 0.000 2.096 153 R HA -0.202 4.798 4.340 1.100 0.000 0.235 153 R C 1.895 178.200 176.300 0.008 0.000 1.127 153 R CA 1.470 57.625 56.100 0.091 0.000 0.968 153 R CB -0.753 29.600 30.300 0.087 0.000 0.861 153 R HN 0.240 nan 8.270 nan 0.000 0.440 154 N N 0.730 119.437 118.700 0.011 0.000 2.205 154 N HA -0.141 5.260 4.740 1.100 0.000 0.186 154 N C 1.484 176.915 175.510 -0.131 0.000 1.015 154 N CA 1.501 54.529 53.050 -0.037 0.000 0.862 154 N CB 0.161 38.649 38.487 0.003 0.000 0.986 154 N HN 0.179 nan 8.380 nan 0.000 0.429 155 V N -4.663 115.098 119.914 -0.255 0.000 3.647 155 V HA 0.552 5.332 4.120 1.100 0.000 0.279 155 V C 1.229 177.145 176.094 -0.296 0.000 1.314 155 V CA 0.533 62.603 62.300 -0.383 0.000 1.125 155 V CB -0.091 31.252 31.823 -0.802 0.000 0.907 155 V HN 0.307 nan 8.190 nan 0.000 0.434 156 G N 0.613 109.301 108.800 -0.188 0.000 2.192 156 G HA2 -0.150 4.470 3.960 1.100 0.000 0.193 156 G HA3 -0.150 4.470 3.960 1.100 0.000 0.193 156 G C -0.155 174.705 174.900 -0.066 0.000 0.999 156 G CA -0.063 44.967 45.100 -0.116 0.000 0.659 156 G HN 0.476 nan 8.290 nan 0.000 0.503 157 L N 1.714 122.910 121.223 -0.044 0.000 2.314 157 L HA 0.406 5.406 4.340 1.100 0.000 0.275 157 L C 1.009 177.961 176.870 0.138 0.000 1.068 157 L CA -0.905 53.980 54.840 0.074 0.000 0.894 157 L CB 0.862 43.021 42.059 0.167 0.000 1.275 157 L HN -0.035 nan 8.230 nan 0.000 0.432 158 N N 1.675 120.426 118.700 0.085 0.000 2.354 158 N HA 0.000 5.401 4.740 1.100 0.000 0.179 158 N C 0.452 176.012 175.510 0.083 0.000 1.021 158 N CA 0.608 53.705 53.050 0.078 0.000 0.887 158 N CB 0.208 38.721 38.487 0.044 0.000 0.974 158 N HN 0.470 nan 8.380 nan 0.000 0.437 159 R N 0.338 120.892 120.500 0.091 0.000 2.438 159 R HA 0.236 5.236 4.340 1.100 0.000 0.287 159 R C 1.069 177.416 176.300 0.078 0.000 1.077 159 R CA -0.129 56.017 56.100 0.077 0.000 1.034 159 R CB 0.692 31.036 30.300 0.074 0.000 0.993 159 R HN -0.042 nan 8.270 nan 0.000 0.459 160 S N 0.876 116.604 115.700 0.047 0.000 2.419 160 S HA -0.166 4.964 4.470 1.100 0.000 0.233 160 S C 1.844 176.475 174.600 0.051 0.000 1.016 160 S CA 1.432 59.646 58.200 0.023 0.000 0.974 160 S CB -0.045 63.158 63.200 0.004 0.000 0.786 160 S HN 0.699 nan 8.310 nan 0.000 0.492 161 S N 1.298 117.050 115.700 0.087 0.000 2.402 161 S HA -0.140 4.990 4.470 1.100 0.000 0.229 161 S C 1.464 176.187 174.600 0.205 0.000 1.021 161 S CA 1.112 59.413 58.200 0.167 0.000 0.974 161 S CB -0.383 62.919 63.200 0.169 0.000 0.800 161 S HN 0.421 nan 8.310 nan 0.000 0.484 162 D N 1.183 121.681 120.400 0.163 0.000 2.084 162 D HA -0.096 5.204 4.640 1.100 0.000 0.194 162 D C 1.938 178.372 176.300 0.224 0.000 0.990 162 D CA 1.106 55.236 54.000 0.216 0.000 0.826 162 D CB -0.575 40.398 40.800 0.288 0.000 0.971 162 D HN 0.379 nan 8.370 nan 0.000 0.453 163 L N 0.881 122.113 121.223 0.015 0.000 2.017 163 L HA -0.141 4.859 4.340 1.100 0.000 0.208 163 L C 2.284 179.107 176.870 -0.079 0.000 1.073 163 L CA 1.404 56.007 54.840 -0.395 0.000 0.745 163 L CB -0.530 41.197 42.059 -0.554 0.000 0.894 163 L HN -0.133 nan 8.230 nan 0.000 0.432 164 V N 0.087 120.062 119.914 0.102 0.000 2.358 164 V HA -0.233 4.547 4.120 1.100 0.000 0.246 164 V C 2.778 179.208 176.094 0.559 0.000 1.047 164 V CA 1.564 64.043 62.300 0.298 0.000 1.035 164 V CB -1.423 30.537 31.823 0.229 0.000 0.658 164 V HN 0.602 nan 8.190 nan 0.000 0.452 165 A N -0.189 122.977 122.820 0.578 0.000 1.873 165 A HA -0.095 4.885 4.320 1.100 0.000 0.215 165 A C 2.193 180.113 177.584 0.560 0.000 1.186 165 A CA 1.572 53.970 52.037 0.602 0.000 0.616 165 A CB -0.531 18.673 19.000 0.340 0.000 0.823 165 A HN 0.485 nan 8.150 nan 0.000 0.442 166 L N -0.255 121.160 121.223 0.321 0.000 2.201 166 L HA -0.113 4.887 4.340 1.100 0.000 0.212 166 L C 2.562 179.456 176.870 0.040 0.000 1.105 166 L CA 1.116 56.086 54.840 0.217 0.000 0.775 166 L CB -0.296 41.859 42.059 0.161 0.000 0.913 166 L HN 0.282 nan 8.230 nan 0.000 0.440 167 S N 0.117 115.790 115.700 -0.044 0.000 2.469 167 S HA -0.097 5.033 4.470 1.100 0.000 0.238 167 S C 1.952 176.091 174.600 -0.768 0.000 0.998 167 S CA 0.945 58.919 58.200 -0.377 0.000 0.957 167 S CB -0.344 62.780 63.200 -0.126 0.000 0.764 167 S HN 0.621 nan 8.310 nan 0.000 0.514 168 G N 1.069 109.650 108.800 -0.365 0.000 2.586 168 G HA2 -0.005 4.615 3.960 1.100 0.000 0.215 168 G HA3 -0.005 4.615 3.960 1.100 0.000 0.215 168 G C 1.250 175.784 174.900 -0.610 0.000 1.128 168 G CA 0.595 45.306 45.100 -0.648 0.000 0.774 168 G HN 0.551 nan 8.290 nan 0.000 0.543 169 G N -0.449 108.150 108.800 -0.336 0.000 2.498 169 G HA2 -0.129 4.491 3.960 1.100 0.000 0.219 169 G HA3 -0.129 4.491 3.960 1.100 0.000 0.219 169 G C 1.094 175.905 174.900 -0.149 0.000 1.119 169 G CA 0.276 45.324 45.100 -0.087 0.000 0.766 169 G HN 0.683 nan 8.290 nan 0.000 0.552 170 H N -0.568 118.127 119.070 -0.625 0.000 2.592 170 H HA 0.140 5.354 4.556 1.096 0.000 0.291 170 H C 1.989 177.142 175.328 -0.292 0.000 1.052 170 H CA 0.211 55.876 56.048 -0.639 0.000 1.175 170 H CB 0.505 29.799 29.762 -0.781 0.000 1.378 170 H HN 0.247 nan 8.280 nan 0.000 0.576 171 T N 0.668 115.053 114.554 -0.281 0.000 3.113 171 T HA -0.013 4.997 4.350 1.100 0.000 0.256 171 T C -0.145 174.585 174.700 0.050 0.000 1.131 171 T CA 0.154 62.119 62.100 -0.224 0.000 1.074 171 T CB -0.061 68.430 68.868 -0.628 0.000 0.944 171 T HN 0.337 nan 8.240 nan 0.000 0.516 172 F N -1.551 118.378 119.950 -0.034 0.000 2.789 172 F HA 0.721 5.907 4.527 1.099 0.000 0.319 172 F C 0.026 175.896 175.800 0.117 0.000 1.168 172 F CA -1.787 56.252 58.000 0.065 0.000 0.934 172 F CB 0.786 39.833 39.000 0.079 0.000 1.375 172 F HN 0.136 nan 8.300 nan 0.000 0.480 173 G N 1.358 110.222 108.800 0.107 0.000 2.710 173 G HA2 0.210 4.831 3.960 1.100 0.000 0.668 173 G HA3 0.210 4.831 3.960 1.100 0.000 0.668 173 G C -1.699 173.349 174.900 0.247 0.000 1.320 173 G CA -0.763 44.354 45.100 0.028 0.000 0.860 173 G HN 0.784 nan 8.290 nan 0.000 0.538 174 K N 0.006 120.532 120.400 0.210 0.000 2.281 174 K HA 0.696 5.676 4.320 1.100 0.000 0.242 174 K C -0.227 176.455 176.600 0.137 0.000 0.971 174 K CA -0.999 55.372 56.287 0.141 0.000 0.834 174 K CB 2.114 34.652 32.500 0.063 0.000 1.181 174 K HN 0.808 nan 8.250 nan 0.000 0.435 175 N N 0.546 119.179 118.700 -0.112 0.000 2.287 175 N HA 0.103 5.504 4.740 1.100 0.000 0.289 175 N C -1.401 174.093 175.510 -0.026 0.000 1.066 175 N CA -0.382 52.579 53.050 -0.149 0.000 0.841 175 N CB 1.494 39.523 38.487 -0.765 0.000 1.599 175 N HN 0.301 nan 8.380 nan 0.000 0.476 176 Q N 1.733 121.610 119.800 0.128 0.000 2.327 176 Q HA 0.186 5.186 4.340 1.100 0.000 0.254 176 Q C 0.652 176.610 176.000 -0.069 0.000 0.952 176 Q CA -0.513 55.286 55.803 -0.007 0.000 0.884 176 Q CB 1.030 29.700 28.738 -0.114 0.000 1.224 176 Q HN 0.746 nan 8.270 nan 0.000 0.422 177 c N 1.693 120.240 118.600 -0.087 0.000 2.403 177 c HA -0.213 5.017 4.570 1.100 0.000 0.277 177 c C 2.460 176.495 174.090 -0.091 0.000 1.248 177 c CA 1.312 57.600 56.329 -0.070 0.000 1.762 177 c CB -1.174 41.308 42.510 -0.046 0.000 2.014 177 c HN 0.964 nan 8.230 nan 0.000 0.486 178 R N 0.349 120.720 120.500 -0.216 0.000 2.133 178 R HA -0.194 4.806 4.340 1.100 0.000 0.247 178 R C 1.559 177.737 176.300 -0.203 0.000 1.151 178 R CA 2.169 58.100 56.100 -0.283 0.000 0.971 178 R CB -1.003 28.994 30.300 -0.505 0.000 0.866 178 R HN 0.410 nan 8.270 nan 0.000 0.447 179 F N 1.469 121.458 119.950 0.064 0.000 2.748 179 F HA 0.185 5.297 4.527 0.976 0.000 0.299 179 F C 1.850 177.701 175.800 0.085 0.000 1.154 179 F CA 0.053 58.110 58.000 0.095 0.000 1.446 179 F CB 0.004 39.051 39.000 0.078 0.000 1.112 179 F HN 0.162 nan 8.300 nan 0.000 0.584 180 I N -5.175 115.494 120.570 0.165 0.000 4.338 180 I HA 0.103 4.933 4.170 1.100 0.000 0.329 180 I C 1.571 177.726 176.117 0.064 0.000 1.378 180 I CA 0.022 61.379 61.300 0.095 0.000 1.170 180 I CB -0.069 37.924 38.000 -0.012 0.000 1.206 180 I HN -0.205 nan 8.210 nan 0.000 0.432 181 M N 2.686 122.345 119.600 0.098 0.000 2.144 181 M HA -0.180 4.961 4.480 1.100 0.000 0.260 181 M C 1.973 178.379 176.300 0.176 0.000 1.067 181 M CA 2.094 57.486 55.300 0.153 0.000 1.095 181 M CB -1.168 31.524 32.600 0.153 0.000 1.365 181 M HN 0.585 nan 8.290 nan 0.000 0.406 182 D N 0.008 120.519 120.400 0.186 0.000 2.117 182 D HA -0.192 5.108 4.640 1.100 0.000 0.198 182 D C 1.913 178.380 176.300 0.277 0.000 0.982 182 D CA 1.247 55.390 54.000 0.238 0.000 0.828 182 D CB -0.716 40.238 40.800 0.256 0.000 0.967 182 D HN 0.380 nan 8.370 nan 0.000 0.464 183 R N 0.091 120.715 120.500 0.206 0.000 2.120 183 R HA 0.037 5.037 4.340 1.100 0.000 0.234 183 R C 2.635 178.844 176.300 -0.152 0.000 1.123 183 R CA 0.809 56.890 56.100 -0.033 0.000 0.975 183 R CB -0.254 29.959 30.300 -0.145 0.000 0.866 183 R HN 0.308 nan 8.270 nan 0.000 0.446 184 L N -1.410 119.672 121.223 -0.236 0.000 2.209 184 L HA -0.049 4.951 4.340 1.100 0.000 0.207 184 L C 1.272 177.695 176.870 -0.745 0.000 1.094 184 L CA 1.120 55.608 54.840 -0.587 0.000 0.790 184 L CB -0.049 41.472 42.059 -0.898 0.000 0.932 184 L HN 0.169 nan 8.230 nan 0.000 0.447 185 Y N -2.398 117.923 120.300 0.036 0.000 2.494 185 Y HA 0.243 5.450 4.550 1.095 0.000 0.271 185 Y C 0.536 176.471 175.900 0.058 0.000 1.113 185 Y CA -0.763 57.359 58.100 0.036 0.000 1.240 185 Y CB 0.499 38.971 38.460 0.020 0.000 1.268 185 Y HN 0.045 nan 8.280 nan 0.000 0.510 186 N N 0.189 119.020 118.700 0.217 0.000 2.827 186 N HA 0.100 5.500 4.740 1.100 0.000 0.240 186 N C -2.044 173.582 175.510 0.193 0.000 1.352 186 N CA -0.293 52.859 53.050 0.171 0.000 0.760 186 N CB -0.031 38.532 38.487 0.127 0.000 1.426 186 N HN 0.002 nan 8.380 nan 0.000 0.561 187 F N 3.150 123.122 119.950 0.037 0.000 2.411 187 F HA 0.405 5.586 4.527 1.091 0.000 0.350 187 F C 1.282 177.103 175.800 0.035 0.000 1.114 187 F CA 0.012 58.034 58.000 0.037 0.000 1.135 187 F CB 1.069 40.087 39.000 0.030 0.000 1.120 187 F HN 0.530 nan 8.300 nan 0.000 0.495 188 S N 5.607 120.978 115.700 -0.548 0.000 3.549 188 S HA -0.297 4.833 4.470 1.100 0.000 0.366 188 S C 0.409 174.917 174.600 -0.154 0.000 1.012 188 S CA 0.955 58.911 58.200 -0.407 0.000 1.141 188 S CB -1.753 61.164 63.200 -0.471 0.000 0.910 188 S HN 1.000 nan 8.310 nan 0.000 0.471 189 N N -1.134 117.513 118.700 -0.088 0.000 2.725 189 N HA -0.203 5.197 4.740 1.100 0.000 0.249 189 N C 0.703 176.210 175.510 -0.003 0.000 1.103 189 N CA 1.563 54.593 53.050 -0.034 0.000 0.707 189 N CB -2.068 36.392 38.487 -0.045 0.000 1.043 189 N HN 0.982 nan 8.380 nan 0.000 0.553 190 T N -4.705 109.863 114.554 0.024 0.000 3.037 190 T HA 0.349 5.359 4.350 1.100 0.000 0.251 190 T C 1.511 176.245 174.700 0.057 0.000 1.079 190 T CA 1.126 63.254 62.100 0.046 0.000 1.067 190 T CB 0.623 69.538 68.868 0.079 0.000 0.948 190 T HN 0.617 nan 8.240 nan 0.000 0.496 191 G N 1.241 110.081 108.800 0.067 0.000 2.162 191 G HA2 -0.204 4.416 3.960 1.100 0.000 0.260 191 G HA3 -0.204 4.416 3.960 1.100 0.000 0.260 191 G C -0.116 174.836 174.900 0.087 0.000 0.976 191 G CA 0.522 45.664 45.100 0.071 0.000 0.655 191 G HN 0.642 nan 8.290 nan 0.000 0.533 192 L N 0.853 122.136 121.223 0.099 0.000 2.333 192 L HA 0.599 5.600 4.340 1.100 0.000 0.263 192 L C -1.921 175.012 176.870 0.105 0.000 1.014 192 L CA -2.678 52.216 54.840 0.090 0.000 0.820 192 L CB 2.383 44.486 42.059 0.074 0.000 1.352 192 L HN -0.127 nan 8.230 nan 0.000 0.421 193 P HA -0.006 nan 4.420 nan 0.000 0.274 193 P C -1.106 176.172 177.300 -0.037 0.000 1.246 193 P CA -0.316 62.772 63.100 -0.020 0.000 0.795 193 P CB 0.634 32.276 31.700 -0.096 0.000 1.006 194 D N 1.953 122.221 120.400 -0.220 0.000 2.412 194 D HA -0.002 5.298 4.640 1.100 0.000 0.257 194 D C -1.045 175.114 176.300 -0.235 0.000 1.217 194 D CA -1.820 51.879 54.000 -0.501 0.000 0.897 194 D CB 0.289 40.466 40.800 -1.038 0.000 1.132 194 D HN 0.193 nan 8.370 nan 0.000 0.493 195 P HA -0.121 nan 4.420 nan 0.000 0.225 195 P C 0.846 178.113 177.300 -0.055 0.000 1.148 195 P CA 0.940 64.010 63.100 -0.050 0.000 0.779 195 P CB -0.083 31.619 31.700 0.003 0.000 0.780 196 T N -3.487 111.011 114.554 -0.092 0.000 3.169 196 T HA 0.168 5.178 4.350 1.100 0.000 0.250 196 T C 0.536 175.207 174.700 -0.049 0.000 1.111 196 T CA -0.383 61.688 62.100 -0.048 0.000 1.010 196 T CB -0.571 68.278 68.868 -0.031 0.000 0.984 196 T HN -0.086 nan 8.240 nan 0.000 0.537 197 L N 3.041 124.213 121.223 -0.085 0.000 2.272 197 L HA 0.438 5.438 4.340 1.100 0.000 0.289 197 L C -0.049 176.813 176.870 -0.014 0.000 1.032 197 L CA -0.965 53.843 54.840 -0.053 0.000 0.810 197 L CB 0.824 42.811 42.059 -0.121 0.000 1.205 197 L HN 0.158 nan 8.230 nan 0.000 0.422 198 N N 2.511 121.233 118.700 0.037 0.000 2.294 198 N HA -0.140 5.260 4.740 1.100 0.000 0.263 198 N C 0.942 176.475 175.510 0.039 0.000 1.281 198 N CA 0.953 54.026 53.050 0.039 0.000 0.846 198 N CB 1.046 39.562 38.487 0.048 0.000 1.061 198 N HN 0.893 nan 8.380 nan 0.000 0.478 199 T N 0.644 115.206 114.554 0.013 0.000 2.881 199 T HA -0.120 4.890 4.350 1.100 0.000 0.270 199 T C 1.655 176.364 174.700 0.015 0.000 1.068 199 T CA 1.665 63.766 62.100 0.001 0.000 1.131 199 T CB -0.289 68.578 68.868 -0.003 0.000 0.871 199 T HN 0.514 nan 8.240 nan 0.000 0.479 200 T N 0.583 115.159 114.554 0.036 0.000 2.812 200 T HA 0.012 5.022 4.350 1.100 0.000 0.264 200 T C 1.457 176.216 174.700 0.099 0.000 1.042 200 T CA 0.953 63.081 62.100 0.047 0.000 1.140 200 T CB -0.527 68.361 68.868 0.035 0.000 0.870 200 T HN 0.429 nan 8.240 nan 0.000 0.445 201 Y N 1.906 122.176 120.300 -0.050 0.000 2.293 201 Y HA 0.023 5.233 4.550 1.101 0.000 0.291 201 Y C 2.041 177.901 175.900 -0.067 0.000 1.137 201 Y CA 0.035 58.101 58.100 -0.057 0.000 1.202 201 Y CB -0.736 37.685 38.460 -0.066 0.000 0.990 201 Y HN 0.105 nan 8.280 nan 0.000 0.537 202 L N 0.371 121.565 121.223 -0.048 0.000 2.012 202 L HA -0.248 4.752 4.340 1.100 0.000 0.210 202 L C 2.083 178.863 176.870 -0.150 0.000 1.073 202 L CA 1.976 56.718 54.840 -0.164 0.000 0.748 202 L CB -0.922 41.068 42.059 -0.115 0.000 0.891 202 L HN 0.109 nan 8.230 nan 0.000 0.431 203 Q N -0.557 119.202 119.800 -0.068 0.000 2.050 203 Q HA -0.147 4.853 4.340 1.100 0.000 0.202 203 Q C 2.252 178.225 176.000 -0.045 0.000 0.980 203 Q CA 2.362 58.140 55.803 -0.041 0.000 0.840 203 Q CB -1.042 27.693 28.738 -0.006 0.000 0.898 203 Q HN 0.563 nan 8.270 nan 0.000 0.424 204 T N 0.968 115.501 114.554 -0.036 0.000 2.708 204 T HA -0.096 4.914 4.350 1.100 0.000 0.266 204 T C 1.835 176.472 174.700 -0.105 0.000 1.037 204 T CA 1.090 63.175 62.100 -0.026 0.000 1.146 204 T CB -0.299 68.611 68.868 0.070 0.000 0.865 204 T HN 0.170 nan 8.240 nan 0.000 0.435 205 L N 0.232 121.307 121.223 -0.246 0.000 2.093 205 L HA -0.040 4.960 4.340 1.100 0.000 0.208 205 L C 2.858 179.632 176.870 -0.161 0.000 1.085 205 L CA 1.240 55.911 54.840 -0.281 0.000 0.755 205 L CB -0.459 41.319 42.059 -0.469 0.000 0.904 205 L HN 0.152 nan 8.230 nan 0.000 0.435 206 R N -0.158 120.260 120.500 -0.137 0.000 2.115 206 R HA -0.088 4.912 4.340 1.100 0.000 0.230 206 R C 2.335 178.665 176.300 0.050 0.000 1.111 206 R CA 1.107 57.193 56.100 -0.023 0.000 0.976 206 R CB -0.492 29.800 30.300 -0.014 0.000 0.870 206 R HN 0.416 nan 8.270 nan 0.000 0.445 207 G N 0.479 109.281 108.800 0.003 0.000 2.421 207 G HA2 -0.160 4.460 3.960 1.100 0.000 0.217 207 G HA3 -0.160 4.460 3.960 1.100 0.000 0.217 207 G C 1.348 176.252 174.900 0.006 0.000 1.143 207 G CA 0.222 45.329 45.100 0.013 0.000 0.784 207 G HN 0.136 nan 8.290 nan 0.000 0.541 208 L N -0.375 120.840 121.223 -0.014 0.000 2.270 208 L HA 0.164 5.164 4.340 1.100 0.000 0.210 208 L C 0.543 177.409 176.870 -0.007 0.000 1.104 208 L CA 0.171 55.001 54.840 -0.017 0.000 0.804 208 L CB 0.268 42.303 42.059 -0.040 0.000 0.937 208 L HN 0.118 nan 8.230 nan 0.000 0.450 209 c N 1.048 119.654 118.600 0.010 0.000 3.273 209 c HA 0.338 5.569 4.570 1.100 0.000 0.227 209 c C -2.092 172.086 174.090 0.146 0.000 1.409 209 c CA -1.582 54.776 56.329 0.047 0.000 1.516 209 c CB -0.282 42.244 42.510 0.026 0.000 1.853 209 c HN 0.107 nan 8.230 nan 0.000 0.472 210 P HA 0.054 nan 4.420 nan 0.000 0.269 210 P C -0.029 177.236 177.300 -0.059 0.000 1.215 210 P CA 0.088 63.229 63.100 0.068 0.000 0.780 210 P CB 1.129 32.834 31.700 0.008 0.000 0.898 211 L N 2.969 123.977 121.223 -0.358 0.000 2.490 211 L HA -0.041 4.959 4.340 1.100 0.000 0.274 211 L C 1.013 177.749 176.870 -0.222 0.000 1.201 211 L CA 0.641 55.178 54.840 -0.505 0.000 0.869 211 L CB -0.773 40.813 42.059 -0.790 0.000 1.123 211 L HN 0.630 nan 8.230 nan 0.000 0.484 212 N N 1.297 119.906 118.700 -0.152 0.000 2.800 212 N HA -0.174 5.226 4.740 1.100 0.000 0.250 212 N C 0.363 175.835 175.510 -0.064 0.000 1.078 212 N CA 0.317 53.312 53.050 -0.092 0.000 0.804 212 N CB -0.896 37.535 38.487 -0.093 0.000 1.135 212 N HN 0.811 nan 8.380 nan 0.000 0.565 213 G N 0.527 109.294 108.800 -0.056 0.000 2.543 213 G HA2 0.206 4.826 3.960 1.100 0.000 0.267 213 G HA3 0.206 4.826 3.960 1.100 0.000 0.267 213 G C -0.209 174.674 174.900 -0.029 0.000 1.406 213 G CA -0.409 44.671 45.100 -0.035 0.000 1.048 213 G HN 0.293 nan 8.290 nan 0.000 0.548 214 N N 0.120 118.807 118.700 -0.023 0.000 2.406 214 N HA 0.050 5.450 4.740 1.100 0.000 0.265 214 N C 1.389 176.879 175.510 -0.033 0.000 1.203 214 N CA -0.421 52.614 53.050 -0.025 0.000 0.945 214 N CB 0.220 38.696 38.487 -0.019 0.000 1.165 214 N HN 0.317 nan 8.380 nan 0.000 0.485 215 L N 2.292 123.488 121.223 -0.045 0.000 2.376 215 L HA -0.067 4.933 4.340 1.100 0.000 0.219 215 L C 1.726 178.538 176.870 -0.096 0.000 1.133 215 L CA 0.582 55.379 54.840 -0.072 0.000 0.816 215 L CB -0.077 41.931 42.059 -0.085 0.000 0.933 215 L HN 0.532 nan 8.230 nan 0.000 0.449 216 S N -0.149 115.513 115.700 -0.065 0.000 2.593 216 S HA 0.227 5.357 4.470 1.100 0.000 0.217 216 S C 1.058 175.638 174.600 -0.034 0.000 0.966 216 S CA -0.075 58.092 58.200 -0.054 0.000 0.914 216 S CB -0.032 63.152 63.200 -0.027 0.000 0.776 216 S HN 0.359 nan 8.310 nan 0.000 0.523 217 A N 1.667 124.466 122.820 -0.034 0.000 2.531 217 A HA 0.409 5.389 4.320 1.100 0.000 0.236 217 A C -0.023 177.545 177.584 -0.026 0.000 1.062 217 A CA 0.114 52.137 52.037 -0.023 0.000 0.760 217 A CB -0.012 18.975 19.000 -0.022 0.000 0.995 217 A HN 0.463 nan 8.150 nan 0.000 0.501 218 L N 2.453 123.666 121.223 -0.016 0.000 2.309 218 L HA 0.641 5.641 4.340 1.100 0.000 0.282 218 L C -0.041 176.812 176.870 -0.029 0.000 1.036 218 L CA -0.638 54.192 54.840 -0.017 0.000 0.806 218 L CB 1.446 43.506 42.059 0.003 0.000 1.220 218 L HN 0.525 nan 8.230 nan 0.000 0.429 219 V N 1.861 121.740 119.914 -0.059 0.000 2.914 219 V HA 0.414 5.194 4.120 1.100 0.000 0.314 219 V C -0.862 175.184 176.094 -0.081 0.000 1.084 219 V CA -0.675 61.584 62.300 -0.069 0.000 0.963 219 V CB 2.503 34.262 31.823 -0.107 0.000 1.025 219 V HN 0.668 nan 8.190 nan 0.000 0.432 220 D N 3.907 124.298 120.400 -0.015 0.000 2.350 220 D HA 0.148 5.448 4.640 1.100 0.000 0.249 220 D C 0.507 176.830 176.300 0.039 0.000 1.119 220 D CA 0.284 54.311 54.000 0.044 0.000 0.886 220 D CB 1.370 42.223 40.800 0.089 0.000 1.195 220 D HN 0.532 nan 8.370 nan 0.000 0.437 221 F N 0.521 120.512 119.950 0.068 0.000 2.186 221 F HA -0.143 5.036 4.527 1.086 0.000 0.299 221 F C 1.349 177.219 175.800 0.117 0.000 1.090 221 F CA 0.946 58.992 58.000 0.077 0.000 1.307 221 F CB 0.258 39.291 39.000 0.055 0.000 1.019 221 F HN 0.198 nan 8.300 nan 0.000 0.489 222 D N 0.138 120.711 120.400 0.289 0.000 2.453 222 D HA 0.140 5.440 4.640 1.100 0.000 0.238 222 D C 0.922 177.274 176.300 0.087 0.000 1.088 222 D CA -0.241 53.857 54.000 0.164 0.000 0.854 222 D CB 0.864 41.750 40.800 0.144 0.000 1.076 222 D HN 0.236 nan 8.370 nan 0.000 0.533 223 L N 1.924 123.159 121.223 0.020 0.000 2.362 223 L HA 0.127 5.127 4.340 1.100 0.000 0.219 223 L C 1.689 178.538 176.870 -0.035 0.000 1.134 223 L CA 0.402 55.235 54.840 -0.011 0.000 0.807 223 L CB 0.102 42.086 42.059 -0.124 0.000 0.927 223 L HN 0.135 nan 8.230 nan 0.000 0.447 224 R N 0.903 121.374 120.500 -0.048 0.000 2.052 224 R HA 0.051 5.051 4.340 1.100 0.000 0.224 224 R C 0.442 176.740 176.300 -0.004 0.000 1.149 224 R CA 1.526 57.601 56.100 -0.042 0.000 0.962 224 R CB -0.128 30.134 30.300 -0.065 0.000 0.856 224 R HN 0.543 nan 8.270 nan 0.000 0.433 225 T N -1.822 112.741 114.554 0.015 0.000 3.226 225 T HA 0.308 5.318 4.350 1.100 0.000 0.378 225 T C -2.494 172.256 174.700 0.083 0.000 1.380 225 T CA -1.861 60.264 62.100 0.042 0.000 1.396 225 T CB 1.693 70.582 68.868 0.035 0.000 1.044 225 T HN -0.160 nan 8.240 nan 0.000 0.586 226 P HA -0.152 nan 4.420 nan 0.000 0.217 226 P C 1.481 178.898 177.300 0.196 0.000 1.148 226 P CA 1.551 64.733 63.100 0.137 0.000 0.834 226 P CB 0.082 31.843 31.700 0.102 0.000 0.783 227 T N -6.026 108.639 114.554 0.186 0.000 3.043 227 T HA 0.291 5.301 4.350 1.100 0.000 0.272 227 T C 0.438 175.320 174.700 0.304 0.000 0.990 227 T CA -0.219 62.034 62.100 0.255 0.000 0.897 227 T CB -0.389 68.578 68.868 0.164 0.000 1.111 227 T HN -0.093 nan 8.240 nan 0.000 0.529 228 I N 1.944 122.634 120.570 0.200 0.000 2.359 228 I HA 0.419 5.249 4.170 1.100 0.000 0.294 228 I C -0.666 175.475 176.117 0.040 0.000 0.987 228 I CA -1.263 60.123 61.300 0.145 0.000 1.225 228 I CB 1.349 39.410 38.000 0.102 0.000 1.366 228 I HN 0.112 nan 8.210 nan 0.000 0.466 229 F N 7.700 127.557 119.950 -0.155 0.000 2.439 229 F HA 0.212 5.398 4.527 1.099 0.000 0.356 229 F C -0.073 175.722 175.800 -0.008 0.000 1.161 229 F CA -0.083 57.703 58.000 -0.356 0.000 1.151 229 F CB -0.196 38.458 39.000 -0.577 0.000 1.222 229 F HN 0.556 nan 8.300 nan 0.000 0.558 230 D N 2.537 122.841 120.400 -0.160 0.000 2.759 230 D HA 0.136 5.436 4.640 1.100 0.000 0.321 230 D C -0.197 176.133 176.300 0.050 0.000 1.267 230 D CA -0.753 53.344 54.000 0.162 0.000 0.933 230 D CB 0.148 41.005 40.800 0.096 0.000 1.431 230 D HN 0.245 nan 8.370 nan 0.000 0.504 231 N N -0.331 118.423 118.700 0.089 0.000 2.383 231 N HA -0.064 5.336 4.740 1.100 0.000 0.192 231 N C 0.539 176.026 175.510 -0.037 0.000 1.141 231 N CA -0.028 52.992 53.050 -0.051 0.000 0.851 231 N CB 0.011 38.516 38.487 0.029 0.000 0.976 231 N HN 0.197 nan 8.380 nan 0.000 0.465 232 K N 0.469 120.829 120.400 -0.067 0.000 2.211 232 K HA -0.175 4.805 4.320 1.100 0.000 0.204 232 K C 1.364 177.889 176.600 -0.125 0.000 1.047 232 K CA 0.621 56.861 56.287 -0.078 0.000 0.935 232 K CB -0.772 31.690 32.500 -0.064 0.000 0.728 232 K HN 0.419 nan 8.250 nan 0.000 0.452 233 Y N 0.805 120.901 120.300 -0.340 0.000 2.151 233 Y HA -0.326 4.881 4.550 1.096 0.000 0.284 233 Y C 1.773 177.370 175.900 -0.505 0.000 1.166 233 Y CA 1.682 59.506 58.100 -0.460 0.000 1.163 233 Y CB -0.403 37.640 38.460 -0.695 0.000 0.974 233 Y HN 0.023 nan 8.280 nan 0.000 0.511 234 Y N -1.383 118.765 120.300 -0.252 0.000 2.337 234 Y HA -0.109 5.103 4.550 1.102 0.000 0.293 234 Y C 2.491 178.191 175.900 -0.334 0.000 1.123 234 Y CA 1.190 59.103 58.100 -0.310 0.000 1.201 234 Y CB -0.760 37.609 38.460 -0.151 0.000 1.011 234 Y HN -0.035 nan 8.280 nan 0.000 0.545 235 V N 0.556 120.388 119.914 -0.137 0.000 2.407 235 V HA -0.286 4.494 4.120 1.100 0.000 0.248 235 V C 1.840 177.773 176.094 -0.269 0.000 1.055 235 V CA 1.848 64.041 62.300 -0.178 0.000 1.049 235 V CB -0.550 31.196 31.823 -0.129 0.000 0.662 235 V HN 0.468 nan 8.190 nan 0.000 0.455 236 N N 0.590 119.107 118.700 -0.305 0.000 2.084 236 N HA -0.117 5.283 4.740 1.100 0.000 0.190 236 N C 1.828 177.109 175.510 -0.383 0.000 1.030 236 N CA 1.421 54.270 53.050 -0.336 0.000 0.849 236 N CB -0.533 37.751 38.487 -0.338 0.000 1.012 236 N HN 0.390 nan 8.380 nan 0.000 0.423 237 L N 1.343 122.277 121.223 -0.482 0.000 2.042 237 L HA -0.151 4.849 4.340 1.100 0.000 0.210 237 L C 1.991 178.422 176.870 -0.733 0.000 1.076 237 L CA 1.288 55.835 54.840 -0.489 0.000 0.749 237 L CB -0.558 41.221 42.059 -0.466 0.000 0.893 237 L HN 0.228 nan 8.230 nan 0.000 0.432 238 E N 0.232 119.907 120.200 -0.875 0.000 2.265 238 E HA -0.194 4.816 4.350 1.100 0.000 0.196 238 E C 1.231 177.508 176.600 -0.537 0.000 0.996 238 E CA 0.910 56.637 56.400 -1.121 0.000 0.832 238 E CB 0.004 29.329 29.700 -0.625 0.000 0.756 238 E HN 0.598 nan 8.360 nan 0.000 0.491 239 E N 0.352 120.339 120.200 -0.356 0.000 2.465 239 E HA 0.014 5.024 4.350 1.100 0.000 0.195 239 E C -0.354 176.162 176.600 -0.140 0.000 1.028 239 E CA -0.107 56.174 56.400 -0.197 0.000 0.899 239 E CB 0.581 30.169 29.700 -0.188 0.000 1.032 239 E HN 0.062 nan 8.360 nan 0.000 0.468 240 Q N -0.152 119.563 119.800 -0.141 0.000 2.494 240 Q HA -0.211 4.789 4.340 1.100 0.000 0.272 240 Q C -0.030 175.946 176.000 -0.040 0.000 1.145 240 Q CA 0.942 56.717 55.803 -0.046 0.000 0.943 240 Q CB -2.097 26.646 28.738 0.008 0.000 1.338 240 Q HN 0.370 nan 8.270 nan 0.000 0.492 241 K N -0.235 120.092 120.400 -0.123 0.000 2.514 241 K HA 0.275 5.255 4.320 1.100 0.000 0.207 241 K C 0.861 177.431 176.600 -0.050 0.000 1.035 241 K CA 0.362 56.573 56.287 -0.126 0.000 1.113 241 K CB 0.920 33.156 32.500 -0.440 0.000 0.846 241 K HN 0.261 nan 8.250 nan 0.000 0.491 242 G N 1.023 109.792 108.800 -0.051 0.000 2.441 242 G HA2 0.047 4.667 3.960 1.100 0.000 0.243 242 G HA3 0.047 4.667 3.960 1.100 0.000 0.243 242 G C 0.696 175.669 174.900 0.122 0.000 1.281 242 G CA -0.426 44.655 45.100 -0.032 0.000 0.854 242 G HN 0.127 nan 8.290 nan 0.000 0.560 243 L N 3.079 124.407 121.223 0.174 0.000 2.023 243 L HA 0.224 5.224 4.340 1.100 0.000 0.205 243 L C 1.545 178.439 176.870 0.041 0.000 1.073 243 L CA 1.270 56.171 54.840 0.102 0.000 0.745 243 L CB -0.452 41.597 42.059 -0.016 0.000 0.900 243 L HN 0.652 nan 8.230 nan 0.000 0.435 244 I N -3.424 117.220 120.570 0.123 0.000 2.793 244 I HA 0.225 5.055 4.170 1.100 0.000 0.313 244 I C 1.272 177.480 176.117 0.151 0.000 0.998 244 I CA -0.599 60.780 61.300 0.132 0.000 1.140 244 I CB 0.971 39.079 38.000 0.181 0.000 1.327 244 I HN 0.267 nan 8.210 nan 0.000 0.491 245 Q N 2.290 122.188 119.800 0.164 0.000 2.077 245 Q HA -0.224 4.776 4.340 1.100 0.000 0.206 245 Q C 1.977 178.092 176.000 0.192 0.000 0.989 245 Q CA 3.254 59.167 55.803 0.183 0.000 0.853 245 Q CB -0.074 28.855 28.738 0.318 0.000 0.907 245 Q HN 0.957 nan 8.270 nan 0.000 0.418 246 S N 0.052 115.874 115.700 0.204 0.000 2.419 246 S HA -0.165 4.965 4.470 1.100 0.000 0.233 246 S C 1.231 175.953 174.600 0.204 0.000 1.016 246 S CA 1.252 59.569 58.200 0.195 0.000 0.974 246 S CB -0.210 63.091 63.200 0.168 0.000 0.786 246 S HN 0.408 nan 8.310 nan 0.000 0.492 247 D N 1.442 121.987 120.400 0.242 0.000 2.085 247 D HA -0.040 5.260 4.640 1.100 0.000 0.199 247 D C 2.145 178.519 176.300 0.123 0.000 0.981 247 D CA 1.251 55.404 54.000 0.256 0.000 0.834 247 D CB -0.625 40.358 40.800 0.306 0.000 0.992 247 D HN 0.363 nan 8.370 nan 0.000 0.457 248 Q N 0.907 120.765 119.800 0.096 0.000 2.226 248 Q HA -0.127 4.873 4.340 1.100 0.000 0.204 248 Q C 1.692 177.763 176.000 0.118 0.000 0.975 248 Q CA 1.086 56.934 55.803 0.075 0.000 0.866 248 Q CB -0.082 28.684 28.738 0.048 0.000 0.915 248 Q HN 0.199 nan 8.270 nan 0.000 0.440 249 E N -0.140 120.134 120.200 0.123 0.000 2.209 249 E HA -0.161 4.849 4.350 1.100 0.000 0.196 249 E C 1.842 178.506 176.600 0.107 0.000 0.993 249 E CA 0.859 57.330 56.400 0.119 0.000 0.819 249 E CB -0.138 29.644 29.700 0.138 0.000 0.745 249 E HN 0.465 nan 8.360 nan 0.000 0.477 250 L N -0.699 120.600 121.223 0.127 0.000 2.191 250 L HA -0.130 4.870 4.340 1.100 0.000 0.212 250 L C 2.197 179.163 176.870 0.160 0.000 1.103 250 L CA 0.886 55.802 54.840 0.128 0.000 0.769 250 L CB -0.243 41.913 42.059 0.162 0.000 0.908 250 L HN 0.057 nan 8.230 nan 0.000 0.438 251 F N -1.137 118.812 119.950 -0.002 0.000 2.653 251 F HA 0.090 5.275 4.527 1.097 0.000 0.288 251 F C 2.126 177.918 175.800 -0.015 0.000 1.121 251 F CA 0.399 58.388 58.000 -0.019 0.000 1.384 251 F CB 0.401 39.378 39.000 -0.039 0.000 1.115 251 F HN -0.179 nan 8.300 nan 0.000 0.599 252 S N -0.992 114.737 115.700 0.047 0.000 2.523 252 S HA 0.111 5.241 4.470 1.100 0.000 0.217 252 S C 0.695 175.280 174.600 -0.024 0.000 0.996 252 S CA 0.060 58.243 58.200 -0.029 0.000 0.921 252 S CB -0.071 63.169 63.200 0.066 0.000 0.829 252 S HN 0.217 nan 8.310 nan 0.000 0.495 253 S N 2.520 118.222 115.700 0.004 0.000 2.572 253 S HA 0.159 5.289 4.470 1.100 0.000 0.279 253 S C -1.901 172.691 174.600 -0.014 0.000 1.341 253 S CA -1.138 57.073 58.200 0.019 0.000 1.043 253 S CB 0.727 63.952 63.200 0.041 0.000 0.887 253 S HN -0.018 nan 8.310 nan 0.000 0.516 254 P HA -0.019 nan 4.420 nan 0.000 0.225 254 P C 0.677 177.967 177.300 -0.017 0.000 1.148 254 P CA 0.764 63.856 63.100 -0.013 0.000 0.779 254 P CB -0.010 31.692 31.700 0.003 0.000 0.780 255 N N -0.532 118.165 118.700 -0.006 0.000 2.268 255 N HA 0.091 5.491 4.740 1.100 0.000 0.204 255 N C 0.642 176.142 175.510 -0.016 0.000 1.124 255 N CA -0.072 52.974 53.050 -0.007 0.000 0.838 255 N CB 0.148 38.640 38.487 0.008 0.000 0.994 255 N HN -0.064 nan 8.380 nan 0.000 0.489 256 A N -0.142 122.658 122.820 -0.034 0.000 2.359 256 A HA 0.125 5.105 4.320 1.100 0.000 0.240 256 A C 1.619 179.162 177.584 -0.069 0.000 1.306 256 A CA -0.000 52.008 52.037 -0.047 0.000 0.898 256 A CB -0.356 18.606 19.000 -0.064 0.000 0.956 256 A HN 0.193 nan 8.150 nan 0.000 0.497 257 T N 1.307 115.825 114.554 -0.059 0.000 2.759 257 T HA -0.167 4.843 4.350 1.100 0.000 0.269 257 T C 1.677 176.343 174.700 -0.056 0.000 1.042 257 T CA 1.877 63.940 62.100 -0.063 0.000 1.140 257 T CB -0.255 68.585 68.868 -0.047 0.000 0.864 257 T HN 0.874 nan 8.240 nan 0.000 0.455 258 D N 0.922 121.297 120.400 -0.043 0.000 2.271 258 D HA -0.051 5.249 4.640 1.100 0.000 0.206 258 D C 2.075 178.346 176.300 -0.049 0.000 0.967 258 D CA 1.331 55.307 54.000 -0.040 0.000 0.867 258 D CB -0.810 39.975 40.800 -0.025 0.000 0.960 258 D HN 0.530 nan 8.370 nan 0.000 0.509 259 T N -1.270 113.259 114.554 -0.043 0.000 3.035 259 T HA 0.144 5.154 4.350 1.100 0.000 0.259 259 T C 2.343 177.021 174.700 -0.037 0.000 1.078 259 T CA -0.001 62.077 62.100 -0.037 0.000 1.132 259 T CB -0.490 68.378 68.868 0.000 0.000 0.900 259 T HN 0.083 nan 8.240 nan 0.000 0.480 260 I N 2.691 123.233 120.570 -0.047 0.000 2.163 260 I HA -0.092 4.738 4.170 1.100 0.000 0.243 260 I C -0.235 175.870 176.117 -0.021 0.000 1.085 260 I CA 1.391 62.673 61.300 -0.031 0.000 1.347 260 I CB -1.000 36.896 38.000 -0.174 0.000 1.044 260 I HN 0.242 nan 8.210 nan 0.000 0.408 261 P HA -0.151 nan 4.420 nan 0.000 0.220 261 P C 1.910 179.094 177.300 -0.192 0.000 1.148 261 P CA 1.531 64.575 63.100 -0.094 0.000 0.803 261 P CB 0.007 31.657 31.700 -0.084 0.000 0.782 262 L N -0.848 120.212 121.223 -0.272 0.000 2.072 262 L HA -0.095 4.905 4.340 1.100 0.000 0.205 262 L C 2.777 179.169 176.870 -0.797 0.000 1.079 262 L CA 1.041 55.513 54.840 -0.613 0.000 0.752 262 L CB -1.065 40.688 42.059 -0.510 0.000 0.906 262 L HN -0.185 nan 8.230 nan 0.000 0.436 263 V N 0.043 119.762 119.914 -0.326 0.000 2.287 263 V HA -0.308 4.472 4.120 1.100 0.000 0.248 263 V C 2.640 178.649 176.094 -0.142 0.000 1.053 263 V CA 1.846 64.076 62.300 -0.117 0.000 1.027 263 V CB -0.617 31.316 31.823 0.183 0.000 0.646 263 V HN 0.412 nan 8.190 nan 0.000 0.447 264 R N 0.671 121.124 120.500 -0.077 0.000 2.081 264 R HA -0.147 4.853 4.340 1.100 0.000 0.235 264 R C 2.636 178.881 176.300 -0.093 0.000 1.131 264 R CA 1.735 57.808 56.100 -0.046 0.000 0.960 264 R CB -0.614 29.692 30.300 0.011 0.000 0.856 264 R HN 0.708 nan 8.270 nan 0.000 0.436 265 S N 0.450 116.046 115.700 -0.173 0.000 2.382 265 S HA -0.119 5.011 4.470 1.100 0.000 0.228 265 S C 1.759 176.393 174.600 0.058 0.000 1.027 265 S CA 1.001 59.143 58.200 -0.096 0.000 0.991 265 S CB -0.344 62.765 63.200 -0.151 0.000 0.823 265 S HN 0.144 nan 8.310 nan 0.000 0.469 266 F N 2.269 122.077 119.950 -0.237 0.000 2.367 266 F HA 0.441 5.627 4.527 1.098 0.000 0.298 266 F C 2.770 178.391 175.800 -0.297 0.000 1.094 266 F CA -0.472 57.302 58.000 -0.377 0.000 1.409 266 F CB -1.393 36.980 39.000 -1.046 0.000 1.064 266 F HN 0.363 nan 8.300 nan 0.000 0.528 267 A N 0.185 122.989 122.820 -0.027 0.000 1.970 267 A HA -0.129 4.851 4.320 1.100 0.000 0.216 267 A C 1.973 179.553 177.584 -0.008 0.000 1.170 267 A CA 1.366 53.410 52.037 0.010 0.000 0.645 267 A CB -0.929 18.065 19.000 -0.011 0.000 0.816 267 A HN 0.430 nan 8.150 nan 0.000 0.447 268 N N -0.991 117.706 118.700 -0.005 0.000 2.354 268 N HA 0.010 5.410 4.740 1.100 0.000 0.179 268 N C 0.158 175.666 175.510 -0.003 0.000 1.021 268 N CA 0.714 53.760 53.050 -0.008 0.000 0.887 268 N CB 0.153 38.636 38.487 -0.007 0.000 0.974 268 N HN 0.303 nan 8.380 nan 0.000 0.437 269 S N -0.893 114.817 115.700 0.016 0.000 2.677 269 S HA 0.216 5.346 4.470 1.100 0.000 0.283 269 S C 0.561 175.149 174.600 -0.020 0.000 1.159 269 S CA -0.727 57.471 58.200 -0.003 0.000 1.001 269 S CB 1.480 64.688 63.200 0.014 0.000 1.032 269 S HN -0.040 nan 8.310 nan 0.000 0.487 270 T N 3.811 118.297 114.554 -0.113 0.000 2.746 270 T HA -0.148 4.862 4.350 1.100 0.000 0.267 270 T C 1.806 176.295 174.700 -0.352 0.000 1.039 270 T CA 1.802 63.727 62.100 -0.291 0.000 1.142 270 T CB -0.298 68.298 68.868 -0.454 0.000 0.866 270 T HN 0.769 nan 8.240 nan 0.000 0.444 271 Q N 0.325 120.001 119.800 -0.206 0.000 2.061 271 Q HA -0.159 4.841 4.340 1.100 0.000 0.204 271 Q C 2.228 178.206 176.000 -0.037 0.000 0.984 271 Q CA 1.805 57.542 55.803 -0.109 0.000 0.846 271 Q CB -0.258 28.448 28.738 -0.054 0.000 0.902 271 Q HN 0.446 nan 8.270 nan 0.000 0.421 272 T N 0.824 115.380 114.554 0.004 0.000 2.746 272 T HA -0.152 4.859 4.350 1.100 0.000 0.267 272 T C 1.286 175.975 174.700 -0.018 0.000 1.039 272 T CA 1.294 63.434 62.100 0.065 0.000 1.142 272 T CB -0.444 68.524 68.868 0.167 0.000 0.866 272 T HN 0.366 nan 8.240 nan 0.000 0.444 273 F N 1.735 121.542 119.950 -0.238 0.000 2.084 273 F HA -0.005 5.181 4.527 1.099 0.000 0.296 273 F C 1.768 177.487 175.800 -0.136 0.000 1.111 273 F CA 0.679 58.357 58.000 -0.537 0.000 1.224 273 F CB -0.826 37.993 39.000 -0.301 0.000 0.991 273 F HN 0.045 nan 8.300 nan 0.000 0.471 274 F N 1.452 121.084 119.950 -0.530 0.000 2.126 274 F HA -0.234 4.953 4.527 1.100 0.000 0.299 274 F C 2.392 177.956 175.800 -0.395 0.000 1.096 274 F CA 1.424 59.107 58.000 -0.528 0.000 1.255 274 F CB -1.679 37.168 39.000 -0.254 0.000 0.997 274 F HN 0.088 nan 8.300 nan 0.000 0.479 275 N N 0.228 118.880 118.700 -0.080 0.000 2.120 275 N HA -0.133 5.267 4.740 1.100 0.000 0.188 275 N C 2.058 177.458 175.510 -0.184 0.000 1.024 275 N CA 1.505 54.481 53.050 -0.123 0.000 0.852 275 N CB -0.743 37.710 38.487 -0.056 0.000 1.003 275 N HN 0.244 nan 8.380 nan 0.000 0.424 276 A N 0.204 122.902 122.820 -0.203 0.000 1.930 276 A HA -0.086 4.895 4.320 1.100 0.000 0.217 276 A C 2.093 179.555 177.584 -0.203 0.000 1.175 276 A CA 0.751 52.683 52.037 -0.175 0.000 0.627 276 A CB -0.817 18.028 19.000 -0.259 0.000 0.815 276 A HN 0.268 nan 8.150 nan 0.000 0.443 277 F N 0.575 120.239 119.950 -0.476 0.000 2.146 277 F HA -0.127 5.058 4.527 1.097 0.000 0.298 277 F C 2.249 177.749 175.800 -0.501 0.000 1.096 277 F CA 1.817 59.549 58.000 -0.447 0.000 1.275 277 F CB -0.229 38.363 39.000 -0.680 0.000 1.008 277 F HN 0.029 nan 8.300 nan 0.000 0.480 278 V N 0.278 119.802 119.914 -0.651 0.000 2.343 278 V HA -0.301 4.479 4.120 1.100 0.000 0.247 278 V C 2.366 178.067 176.094 -0.655 0.000 1.051 278 V CA 2.239 63.904 62.300 -1.058 0.000 1.036 278 V CB -0.730 30.445 31.823 -1.079 0.000 0.654 278 V HN 0.401 nan 8.190 nan 0.000 0.451 279 E N 0.228 120.189 120.200 -0.398 0.000 2.058 279 E HA -0.239 4.771 4.350 1.100 0.000 0.194 279 E C 2.220 178.708 176.600 -0.186 0.000 0.997 279 E CA 1.519 57.783 56.400 -0.227 0.000 0.801 279 E CB -0.255 29.366 29.700 -0.131 0.000 0.746 279 E HN 0.563 nan 8.360 nan 0.000 0.450 280 A N 0.647 123.344 122.820 -0.205 0.000 1.930 280 A HA -0.139 4.841 4.320 1.100 0.000 0.217 280 A C 2.165 179.638 177.584 -0.185 0.000 1.175 280 A CA 1.226 53.184 52.037 -0.132 0.000 0.627 280 A CB -0.336 18.621 19.000 -0.072 0.000 0.815 280 A HN 0.275 nan 8.150 nan 0.000 0.443 281 M N -0.000 119.369 119.600 -0.385 0.000 2.117 281 M HA -0.134 5.006 4.480 1.100 0.000 0.262 281 M C 1.285 177.569 176.300 -0.026 0.000 1.065 281 M CA 1.503 56.640 55.300 -0.272 0.000 1.114 281 M CB -1.276 31.074 32.600 -0.416 0.000 1.361 281 M HN 0.334 nan 8.290 nan 0.000 0.408 282 D N -0.469 119.902 120.400 -0.049 0.000 2.178 282 D HA -0.078 5.222 4.640 1.100 0.000 0.202 282 D C 2.165 178.479 176.300 0.023 0.000 0.974 282 D CA 0.883 54.911 54.000 0.048 0.000 0.841 282 D CB -0.155 40.663 40.800 0.030 0.000 0.953 282 D HN 0.326 nan 8.370 nan 0.000 0.478 283 R N -0.066 120.426 120.500 -0.012 0.000 2.075 283 R HA 0.019 5.019 4.340 1.100 0.000 0.232 283 R C 2.333 178.635 176.300 0.004 0.000 1.126 283 R CA 0.805 56.903 56.100 -0.003 0.000 0.963 283 R CB -0.230 30.070 30.300 -0.001 0.000 0.858 283 R HN 0.180 nan 8.270 nan 0.000 0.435 284 M N -0.045 119.566 119.600 0.017 0.000 2.159 284 M HA -0.064 5.076 4.480 1.100 0.000 0.263 284 M C 1.810 178.121 176.300 0.018 0.000 1.063 284 M CA 2.019 57.334 55.300 0.025 0.000 1.110 284 M CB -0.128 32.518 32.600 0.077 0.000 1.374 284 M HN 0.249 nan 8.290 nan 0.000 0.411 285 G N -0.172 108.676 108.800 0.079 0.000 2.679 285 G HA2 -0.197 4.424 3.960 1.100 0.000 0.212 285 G HA3 -0.197 4.424 3.960 1.100 0.000 0.212 285 G C 1.042 175.976 174.900 0.058 0.000 1.137 285 G CA 0.583 45.761 45.100 0.129 0.000 0.787 285 G HN 0.676 nan 8.290 nan 0.000 0.534 286 N N -0.183 118.528 118.700 0.019 0.000 2.230 286 N HA 0.173 5.573 4.740 1.100 0.000 0.202 286 N C 0.042 175.531 175.510 -0.035 0.000 1.119 286 N CA -0.380 52.666 53.050 -0.007 0.000 0.851 286 N CB 0.107 38.590 38.487 -0.007 0.000 0.990 286 N HN 0.145 nan 8.380 nan 0.000 0.497 287 I N 2.265 122.804 120.570 -0.052 0.000 2.505 287 I HA -0.070 4.761 4.170 1.100 0.000 0.287 287 I C 0.629 176.693 176.117 -0.089 0.000 1.104 287 I CA 0.027 61.272 61.300 -0.092 0.000 1.387 287 I CB 0.560 38.474 38.000 -0.144 0.000 1.404 287 I HN 0.230 nan 8.210 nan 0.000 0.528 288 T N 4.540 119.041 114.554 -0.089 0.000 3.213 288 T HA -0.126 4.884 4.350 1.100 0.000 0.427 288 T C -1.966 172.692 174.700 -0.071 0.000 0.772 288 T CA -0.685 61.364 62.100 -0.085 0.000 2.150 288 T CB -1.834 66.967 68.868 -0.112 0.000 1.655 288 T HN 0.471 nan 8.240 nan 0.000 0.584 289 P HA 0.491 nan 4.420 nan 0.000 0.277 289 P C 0.255 177.528 177.300 -0.044 0.000 1.240 289 P CA -0.897 62.175 63.100 -0.047 0.000 0.798 289 P CB 0.993 32.664 31.700 -0.049 0.000 0.979 290 L N 2.035 123.236 121.223 -0.036 0.000 2.292 290 L HA 0.441 5.441 4.340 1.100 0.000 0.284 290 L C 1.177 178.021 176.870 -0.043 0.000 1.065 290 L CA -0.016 54.808 54.840 -0.027 0.000 0.806 290 L CB 1.243 43.298 42.059 -0.007 0.000 1.175 290 L HN 0.568 nan 8.230 nan 0.000 0.431 291 T N -1.074 113.457 114.554 -0.038 0.000 2.804 291 T HA 0.764 5.774 4.350 1.100 0.000 0.290 291 T C 0.509 175.199 174.700 -0.016 0.000 1.099 291 T CA -0.048 62.020 62.100 -0.054 0.000 1.011 291 T CB 1.791 70.620 68.868 -0.064 0.000 1.291 291 T HN 0.855 nan 8.240 nan 0.000 0.523 292 G N 1.298 110.099 108.800 0.001 0.000 2.677 292 G HA2 -0.359 4.261 3.960 1.100 0.000 0.321 292 G HA3 -0.359 4.261 3.960 1.100 0.000 0.321 292 G C 0.994 175.922 174.900 0.046 0.000 1.181 292 G CA 1.946 47.069 45.100 0.038 0.000 0.965 292 G HN 2.079 nan 8.290 nan 0.000 0.548 293 T N -0.928 113.646 114.554 0.033 0.000 3.054 293 T HA 0.474 5.484 4.350 1.100 0.000 0.255 293 T C 0.830 175.546 174.700 0.027 0.000 1.035 293 T CA 0.976 63.096 62.100 0.035 0.000 0.941 293 T CB 0.308 69.194 68.868 0.030 0.000 1.026 293 T HN 0.742 nan 8.240 nan 0.000 0.533 294 Q N 1.524 121.336 119.800 0.019 0.000 2.352 294 Q HA 0.493 5.494 4.340 1.100 0.000 0.260 294 Q C 1.120 177.131 176.000 0.019 0.000 0.976 294 Q CA 0.434 56.246 55.803 0.015 0.000 0.881 294 Q CB 0.642 29.384 28.738 0.006 0.000 1.235 294 Q HN 0.590 nan 8.270 nan 0.000 0.419 295 G N 1.670 110.484 108.800 0.023 0.000 2.645 295 G HA2 -0.285 4.335 3.960 1.100 0.000 0.246 295 G HA3 -0.285 4.335 3.960 1.100 0.000 0.246 295 G C -0.693 174.226 174.900 0.032 0.000 1.322 295 G CA -0.226 44.890 45.100 0.027 0.000 0.898 295 G HN 0.634 nan 8.290 nan 0.000 0.573 296 Q N -1.482 118.340 119.800 0.036 0.000 2.892 296 Q HA 0.721 5.721 4.340 1.100 0.000 0.307 296 Q C -0.657 175.374 176.000 0.053 0.000 1.039 296 Q CA -1.151 54.678 55.803 0.043 0.000 0.792 296 Q CB 1.863 30.624 28.738 0.039 0.000 1.504 296 Q HN 0.434 nan 8.270 nan 0.000 0.487 297 I N 1.919 122.525 120.570 0.060 0.000 2.412 297 I HA 0.281 5.112 4.170 1.100 0.000 0.279 297 I C -0.137 176.010 176.117 0.051 0.000 1.063 297 I CA -0.291 61.051 61.300 0.070 0.000 1.193 297 I CB 0.529 38.582 38.000 0.088 0.000 1.370 297 I HN 0.521 nan 8.210 nan 0.000 0.479 298 R N 4.634 125.161 120.500 0.046 0.000 2.522 298 R HA 0.138 5.138 4.340 1.100 0.000 0.284 298 R C 0.825 177.144 176.300 0.032 0.000 1.032 298 R CA 0.034 56.157 56.100 0.038 0.000 1.049 298 R CB 0.849 31.173 30.300 0.040 0.000 0.956 298 R HN 0.574 nan 8.270 nan 0.000 0.422 299 L N 2.200 123.439 121.223 0.027 0.000 2.202 299 L HA 0.036 5.036 4.340 1.100 0.000 0.205 299 L C 0.823 177.703 176.870 0.018 0.000 1.083 299 L CA 0.472 55.323 54.840 0.019 0.000 0.790 299 L CB -0.217 41.852 42.059 0.017 0.000 0.942 299 L HN 0.564 nan 8.230 nan 0.000 0.452 300 N N -0.666 118.046 118.700 0.021 0.000 2.479 300 N HA 0.118 5.518 4.740 1.100 0.000 0.261 300 N C 0.450 175.978 175.510 0.030 0.000 0.979 300 N CA -0.434 52.628 53.050 0.021 0.000 0.930 300 N CB 1.455 39.951 38.487 0.016 0.000 1.172 300 N HN -0.016 nan 8.380 nan 0.000 0.499 301 c N 2.538 121.160 118.600 0.036 0.000 2.409 301 c HA -0.010 5.220 4.570 1.100 0.000 0.288 301 c C 2.105 176.223 174.090 0.047 0.000 1.395 301 c CA 0.487 56.845 56.329 0.049 0.000 1.792 301 c CB -0.926 41.623 42.510 0.064 0.000 1.847 301 c HN 0.693 nan 8.230 nan 0.000 0.534 302 R N 0.287 120.807 120.500 0.033 0.000 2.240 302 R HA 0.111 5.111 4.340 1.100 0.000 0.203 302 R C 0.477 176.794 176.300 0.027 0.000 1.011 302 R CA 0.616 56.725 56.100 0.017 0.000 1.007 302 R CB 0.091 30.389 30.300 -0.004 0.000 0.911 302 R HN 0.558 nan 8.270 nan 0.000 0.468 303 V N -3.187 116.747 119.914 0.034 0.000 2.925 303 V HA 0.458 5.238 4.120 1.100 0.000 0.311 303 V C -0.027 176.098 176.094 0.053 0.000 1.104 303 V CA -1.296 61.030 62.300 0.043 0.000 0.954 303 V CB 2.162 33.994 31.823 0.014 0.000 1.022 303 V HN -0.296 nan 8.190 nan 0.000 0.427 304 V N 3.238 123.197 119.914 0.075 0.000 2.715 304 V HA 0.232 5.012 4.120 1.100 0.000 0.299 304 V C 0.666 176.786 176.094 0.042 0.000 1.054 304 V CA -0.277 62.062 62.300 0.065 0.000 1.077 304 V CB 0.543 32.421 31.823 0.092 0.000 0.972 304 V HN 0.995 nan 8.190 nan 0.000 0.484 305 N N 2.542 121.263 118.700 0.036 0.000 2.441 305 N HA 0.179 5.579 4.740 1.100 0.000 0.251 305 N C 0.116 175.640 175.510 0.023 0.000 1.242 305 N CA 0.090 53.156 53.050 0.027 0.000 0.898 305 N CB 0.851 39.354 38.487 0.027 0.000 1.100 305 N HN 0.941 nan 8.380 nan 0.000 0.443 306 S N 0.000 115.710 115.700 0.016 0.000 2.498 306 S HA 0.000 5.130 4.470 1.100 0.000 0.327 306 S CA 0.000 58.207 58.200 0.012 0.000 1.107 306 S CB 0.000 63.203 63.200 0.005 0.000 0.593 306 S HN 0.000 nan 8.310 nan 0.000 0.517