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 3h49_1_A DATA FIRST_RESID 3 DATA SEQUENCE NLDVICIGAA IVDIPLQPVS KNIFDVDSYP LERIAXTTGG DAINEATIIS DATA SEQUENCE RLGHRTALXS RIGKDAAGQF ILDHCRKENI DIQSLKQDVS IDTSINVGLV DATA SEQUENCE TEDGERTFVT NRNGSLWKLN IDDVDFARFS QAKLLSLASI FNSPLLDGKA DATA SEQUENCE LTEIFTQAKA RQXIICADXI KPRLNETLDD IcEALSYVDY LFPNFAEAKL DATA SEQUENCE LTGKETLDEI ADCFLAcGVK TVVIKTGKDG CFIKRGDXTX KVPAVAGITA DATA SEQUENCE IDTIGAGDNF ASGFIAALLE GKNLRECARF ANATAAISVL SVGATTGVKN DATA SEQUENCE RKLVEQL 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 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.520 175.510 0.016 0.000 1.280 3 N CA 0.000 53.054 53.050 0.006 0.000 0.885 3 N CB 0.000 38.486 38.487 -0.002 0.000 1.341 4 L N 2.803 124.037 121.223 0.019 0.000 2.485 4 L HA 0.264 4.605 4.340 0.002 0.000 0.279 4 L C 0.034 176.919 176.870 0.026 0.000 1.124 4 L CA 0.650 55.504 54.840 0.023 0.000 0.888 4 L CB 0.448 42.522 42.059 0.025 0.000 1.217 4 L HN 0.190 nan 8.230 nan 0.000 0.464 5 D N 3.099 123.520 120.400 0.036 0.000 2.259 5 D HA 0.114 4.755 4.640 0.002 0.000 0.216 5 D C -0.017 176.283 176.300 0.000 0.000 0.961 5 D CA 0.872 54.891 54.000 0.033 0.000 0.878 5 D CB 0.535 41.386 40.800 0.085 0.000 1.009 5 D HN 0.311 nan 8.370 nan 0.000 0.490 6 V N 1.324 121.239 119.914 0.003 0.000 2.823 6 V HA 0.422 4.543 4.120 0.002 0.000 0.312 6 V C -0.250 175.834 176.094 -0.017 0.000 1.072 6 V CA -0.762 61.526 62.300 -0.019 0.000 0.937 6 V CB 2.935 34.746 31.823 -0.019 0.000 1.013 6 V HN -0.089 nan 8.190 nan 0.000 0.430 7 I N 2.542 123.087 120.570 -0.041 0.000 2.382 7 I HA 0.404 4.576 4.170 0.002 0.000 0.286 7 I C -0.780 175.323 176.117 -0.024 0.000 1.002 7 I CA -0.174 61.107 61.300 -0.032 0.000 1.135 7 I CB 1.561 39.518 38.000 -0.073 0.000 1.288 7 I HN 0.530 nan 8.210 nan 0.000 0.448 8 C N 7.408 126.707 119.300 -0.000 0.000 2.281 8 C HA 0.549 5.010 4.460 0.002 0.000 0.325 8 C C 0.300 175.299 174.990 0.015 0.000 1.282 8 C CA -0.594 58.429 59.018 0.007 0.000 1.640 8 C CB -0.082 27.663 27.740 0.008 0.000 2.288 8 C HN 0.517 nan 8.230 nan 0.000 0.507 9 I N 3.654 124.238 120.570 0.023 0.000 2.339 9 I HA 0.727 4.898 4.170 0.002 0.000 0.290 9 I C 0.630 176.750 176.117 0.006 0.000 0.994 9 I CA 0.517 61.828 61.300 0.019 0.000 1.191 9 I CB 1.271 39.293 38.000 0.035 0.000 1.343 9 I HN 0.882 nan 8.210 nan 0.000 0.458 10 G N 3.932 112.727 108.800 -0.008 0.000 2.338 10 G HA2 0.511 4.472 3.960 0.002 0.000 0.295 10 G HA3 0.511 4.472 3.960 0.002 0.000 0.295 10 G C -1.750 173.135 174.900 -0.025 0.000 1.461 10 G CA -0.572 44.516 45.100 -0.020 0.000 0.817 10 G HN 0.727 nan 8.290 nan 0.000 0.556 11 A N -0.385 122.411 122.820 -0.040 0.000 2.409 11 A HA 0.778 5.099 4.320 0.002 0.000 0.267 11 A C 0.735 178.301 177.584 -0.029 0.000 1.127 11 A CA 0.629 52.644 52.037 -0.037 0.000 0.795 11 A CB 0.341 19.305 19.000 -0.060 0.000 1.061 11 A HN 2.270 nan 8.150 nan 0.000 0.502 12 A N 3.236 126.047 122.820 -0.014 0.000 2.274 12 A HA 0.674 4.995 4.320 0.002 0.000 0.309 12 A C 0.129 177.712 177.584 -0.002 0.000 1.226 12 A CA -0.420 51.610 52.037 -0.012 0.000 0.853 12 A CB -0.108 18.890 19.000 -0.002 0.000 1.146 12 A HN 1.448 nan 8.150 nan 0.000 0.518 13 I N -0.539 120.027 120.570 -0.007 0.000 3.457 13 I HA 0.871 5.043 4.170 0.002 0.000 0.307 13 I C -1.232 174.905 176.117 0.034 0.000 1.138 13 I CA -1.251 60.057 61.300 0.013 0.000 0.974 13 I CB 2.036 40.034 38.000 -0.004 0.000 1.324 13 I HN 0.251 nan 8.210 nan 0.000 0.485 14 V N 1.618 121.565 119.914 0.054 0.000 2.540 14 V HA 0.470 4.591 4.120 0.002 0.000 0.302 14 V C -1.056 175.070 176.094 0.054 0.000 1.035 14 V CA -0.446 61.904 62.300 0.084 0.000 0.873 14 V CB 1.568 33.453 31.823 0.103 0.000 0.992 14 V HN 0.654 nan 8.190 nan 0.000 0.428 15 D N 3.885 124.321 120.400 0.061 0.000 2.198 15 D HA 0.609 5.251 4.640 0.002 0.000 0.247 15 D C -0.622 175.716 176.300 0.063 0.000 1.010 15 D CA -0.152 53.887 54.000 0.065 0.000 0.880 15 D CB 2.737 43.580 40.800 0.072 0.000 1.209 15 D HN 0.345 nan 8.370 nan 0.000 0.451 16 I N 3.301 123.916 120.570 0.075 0.000 2.583 16 I HA 0.162 4.333 4.170 0.002 0.000 0.276 16 I C -2.470 173.689 176.117 0.070 0.000 1.089 16 I CA -1.720 59.611 61.300 0.051 0.000 1.103 16 I CB 2.314 40.331 38.000 0.030 0.000 1.209 16 I HN -0.077 nan 8.210 nan 0.000 0.484 17 P HA 0.303 nan 4.420 nan 0.000 0.286 17 P C -0.945 176.373 177.300 0.031 0.000 1.269 17 P CA -0.248 62.888 63.100 0.060 0.000 0.787 17 P CB 1.463 33.202 31.700 0.064 0.000 0.920 18 L N 3.885 125.116 121.223 0.013 0.000 2.276 18 L HA 0.499 4.840 4.340 0.002 0.000 0.286 18 L C 0.459 177.325 176.870 -0.005 0.000 1.024 18 L CA -0.171 54.670 54.840 0.002 0.000 0.826 18 L CB 1.160 43.208 42.059 -0.018 0.000 1.211 18 L HN 0.446 nan 8.230 nan 0.000 0.422 19 Q N 6.009 125.818 119.800 0.015 0.000 2.320 19 Q HA 0.541 4.882 4.340 0.002 0.000 0.272 19 Q C -2.831 173.193 176.000 0.041 0.000 1.023 19 Q CA -1.377 54.436 55.803 0.015 0.000 0.855 19 Q CB 3.587 32.330 28.738 0.009 0.000 1.367 19 Q HN 0.305 nan 8.270 nan 0.000 0.406 20 P HA 0.395 nan 4.420 nan 0.000 0.296 20 P C -0.997 176.320 177.300 0.028 0.000 1.301 20 P CA -0.412 62.707 63.100 0.030 0.000 0.862 20 P CB 1.658 33.379 31.700 0.035 0.000 1.046 21 V N -0.548 119.344 119.914 -0.036 0.000 3.141 21 V HA 0.954 5.076 4.120 0.002 0.000 0.312 21 V C -0.309 175.721 176.094 -0.106 0.000 1.157 21 V CA -0.816 61.409 62.300 -0.125 0.000 1.041 21 V CB 1.464 33.180 31.823 -0.178 0.000 1.071 21 V HN 0.892 nan 8.190 nan 0.000 0.441 22 S N -0.138 115.475 115.700 -0.147 0.000 2.672 22 S HA 0.489 4.960 4.470 0.002 0.000 0.271 22 S C 0.260 174.832 174.600 -0.047 0.000 1.171 22 S CA -0.445 57.712 58.200 -0.070 0.000 0.817 22 S CB 1.633 64.810 63.200 -0.039 0.000 1.150 22 S HN 0.772 nan 8.310 nan 0.000 0.478 23 K N 0.741 121.153 120.400 0.020 0.000 2.286 23 K HA -0.077 4.244 4.320 0.002 0.000 0.203 23 K C 1.188 177.863 176.600 0.126 0.000 1.045 23 K CA 1.455 57.805 56.287 0.106 0.000 0.935 23 K CB -0.487 32.035 32.500 0.036 0.000 0.737 23 K HN 0.449 nan 8.250 nan 0.000 0.460 24 N N 1.663 120.380 118.700 0.028 0.000 2.443 24 N HA -0.154 4.587 4.740 0.002 0.000 0.184 24 N C 1.738 177.238 175.510 -0.018 0.000 1.037 24 N CA 1.074 54.143 53.050 0.032 0.000 0.896 24 N CB -0.337 38.174 38.487 0.041 0.000 0.959 24 N HN 0.474 nan 8.380 nan 0.000 0.442 25 I N -2.931 117.510 120.570 -0.216 0.000 2.567 25 I HA -0.137 4.034 4.170 0.002 0.000 0.257 25 I C 1.279 177.276 176.117 -0.199 0.000 1.184 25 I CA 1.203 62.249 61.300 -0.423 0.000 1.451 25 I CB -0.581 36.989 38.000 -0.717 0.000 1.089 25 I HN -0.203 nan 8.210 nan 0.000 0.441 26 F N 1.927 121.830 119.950 -0.078 0.000 2.661 26 F HA -0.024 4.504 4.527 0.002 0.000 0.298 26 F C 1.718 177.516 175.800 -0.003 0.000 1.137 26 F CA 0.875 58.856 58.000 -0.032 0.000 1.454 26 F CB -0.306 38.672 39.000 -0.036 0.000 1.103 26 F HN 0.122 nan 8.300 nan 0.000 0.577 27 D N -0.099 120.399 120.400 0.163 0.000 2.355 27 D HA 0.031 4.672 4.640 0.002 0.000 0.218 27 D C 0.567 176.923 176.300 0.094 0.000 1.004 27 D CA 0.668 54.738 54.000 0.116 0.000 0.880 27 D CB 0.149 41.007 40.800 0.096 0.000 0.911 27 D HN 0.137 nan 8.370 nan 0.000 0.528 28 V N -2.489 117.483 119.914 0.096 0.000 3.074 28 V HA 0.384 4.505 4.120 0.002 0.000 0.314 28 V C 0.619 176.748 176.094 0.058 0.000 1.117 28 V CA -0.845 61.503 62.300 0.080 0.000 1.014 28 V CB 2.367 34.252 31.823 0.103 0.000 1.057 28 V HN -0.358 nan 8.190 nan 0.000 0.438 29 D N 0.824 121.248 120.400 0.040 0.000 2.183 29 D HA 0.057 4.698 4.640 0.002 0.000 0.203 29 D C 0.811 177.123 176.300 0.020 0.000 0.969 29 D CA 1.759 55.774 54.000 0.025 0.000 0.842 29 D CB 0.529 41.340 40.800 0.018 0.000 0.957 29 D HN 0.630 nan 8.370 nan 0.000 0.484 30 S N -0.969 114.748 115.700 0.029 0.000 2.677 30 S HA 0.303 4.774 4.470 0.002 0.000 0.283 30 S C -1.797 172.833 174.600 0.050 0.000 1.159 30 S CA -0.692 57.524 58.200 0.027 0.000 1.001 30 S CB 0.579 63.780 63.200 0.001 0.000 1.032 30 S HN 0.081 nan 8.310 nan 0.000 0.487 31 Y N 6.909 127.176 120.300 -0.055 0.000 2.356 31 Y HA 0.591 5.142 4.550 0.002 0.000 0.334 31 Y C -2.073 173.801 175.900 -0.045 0.000 0.958 31 Y CA -1.621 56.448 58.100 -0.051 0.000 1.196 31 Y CB 1.132 39.549 38.460 -0.071 0.000 1.137 31 Y HN 0.507 nan 8.280 nan 0.000 0.485 32 P HA 0.383 nan 4.420 nan 0.000 0.290 32 P C -1.330 175.886 177.300 -0.141 0.000 1.276 32 P CA -0.283 62.716 63.100 -0.167 0.000 0.808 32 P CB 2.118 33.717 31.700 -0.168 0.000 0.966 33 L N 1.726 122.946 121.223 -0.006 0.000 2.303 33 L HA 0.303 4.644 4.340 0.002 0.000 0.266 33 L C 1.538 178.409 176.870 0.002 0.000 1.011 33 L CA -0.867 53.994 54.840 0.035 0.000 0.818 33 L CB 1.738 43.843 42.059 0.078 0.000 1.326 33 L HN 0.287 nan 8.230 nan 0.000 0.435 34 E N 0.861 121.066 120.200 0.007 0.000 2.347 34 E HA 0.012 4.363 4.350 0.002 0.000 0.196 34 E C 0.182 176.785 176.600 0.004 0.000 1.008 34 E CA 0.597 56.997 56.400 -0.000 0.000 0.852 34 E CB 0.342 30.044 29.700 0.003 0.000 0.783 34 E HN 0.353 nan 8.360 nan 0.000 0.505 35 R N -0.476 120.031 120.500 0.011 0.000 2.644 35 R HA 0.370 4.711 4.340 0.002 0.000 0.257 35 R C -1.760 174.548 176.300 0.013 0.000 1.082 35 R CA -0.333 55.773 56.100 0.010 0.000 0.927 35 R CB 0.881 31.188 30.300 0.012 0.000 1.258 35 R HN -0.103 nan 8.270 nan 0.000 0.459 36 I N 3.279 123.852 120.570 0.006 0.000 2.497 36 I HA 0.607 4.778 4.170 0.002 0.000 0.284 36 I C -0.557 175.555 176.117 -0.008 0.000 1.060 36 I CA -0.542 60.760 61.300 0.003 0.000 1.071 36 I CB 1.842 39.842 38.000 -0.000 0.000 1.216 36 I HN 0.810 nan 8.210 nan 0.000 0.442 40 T N -0.084 114.550 114.554 0.134 0.000 2.919 40 T HA 0.669 5.020 4.350 0.002 0.000 0.302 40 T C 0.744 175.390 174.700 -0.090 0.000 1.031 40 T CA 0.143 62.206 62.100 -0.062 0.000 1.127 40 T CB 0.855 69.444 68.868 -0.464 0.000 0.952 40 T HN 1.445 nan 8.240 nan 0.000 0.540 41 G N -0.562 108.203 108.800 -0.059 0.000 2.827 41 G HA2 0.796 4.757 3.960 0.002 0.000 0.296 41 G HA3 0.796 4.757 3.960 0.002 0.000 0.296 41 G C -0.145 174.722 174.900 -0.054 0.000 1.362 41 G CA -0.521 44.549 45.100 -0.051 0.000 0.809 41 G HN 1.735 nan 8.290 nan 0.000 0.522 42 G N -0.928 107.840 108.800 -0.052 0.000 2.906 42 G HA2 0.043 4.004 3.960 0.002 0.000 0.686 42 G HA3 0.043 4.004 3.960 0.002 0.000 0.686 42 G C 0.135 175.011 174.900 -0.039 0.000 1.170 42 G CA 0.319 45.387 45.100 -0.053 0.000 0.775 42 G HN 0.563 nan 8.290 nan 0.000 0.630 43 D N 0.750 121.128 120.400 -0.036 0.000 2.133 43 D HA -0.181 4.460 4.640 0.002 0.000 0.195 43 D C 2.720 179.011 176.300 -0.015 0.000 0.997 43 D CA 2.131 56.118 54.000 -0.022 0.000 0.840 43 D CB -0.186 40.603 40.800 -0.018 0.000 0.947 43 D HN 0.867 nan 8.370 nan 0.000 0.452 44 A N 1.375 124.185 122.820 -0.016 0.000 1.877 44 A HA -0.160 4.162 4.320 0.002 0.000 0.216 44 A C 2.301 179.886 177.584 0.001 0.000 1.186 44 A CA 0.866 52.899 52.037 -0.007 0.000 0.620 44 A CB -0.554 18.441 19.000 -0.008 0.000 0.822 44 A HN 0.121 nan 8.150 nan 0.000 0.443 45 I N 0.559 121.125 120.570 -0.006 0.000 2.226 45 I HA -0.204 3.967 4.170 0.002 0.000 0.245 45 I C 1.886 178.016 176.117 0.023 0.000 1.100 45 I CA 1.417 62.721 61.300 0.006 0.000 1.374 45 I CB -1.342 36.633 38.000 -0.042 0.000 1.057 45 I HN 0.340 nan 8.210 nan 0.000 0.413 46 N N 0.840 119.540 118.700 0.001 0.000 2.084 46 N HA -0.189 4.552 4.740 0.002 0.000 0.190 46 N C 1.756 177.279 175.510 0.021 0.000 1.030 46 N CA 1.217 54.275 53.050 0.013 0.000 0.849 46 N CB -0.301 38.186 38.487 -0.000 0.000 1.012 46 N HN 0.441 nan 8.380 nan 0.000 0.423 47 E N 0.700 120.904 120.200 0.007 0.000 2.031 47 E HA -0.090 4.261 4.350 0.002 0.000 0.193 47 E C 1.958 178.567 176.600 0.014 0.000 0.994 47 E CA 1.113 57.513 56.400 0.000 0.000 0.800 47 E CB -0.128 29.564 29.700 -0.014 0.000 0.752 47 E HN 0.345 nan 8.360 nan 0.000 0.447 48 A N 0.769 123.602 122.820 0.022 0.000 1.940 48 A HA -0.219 4.102 4.320 0.002 0.000 0.219 48 A C 2.353 179.958 177.584 0.036 0.000 1.176 48 A CA 2.096 54.149 52.037 0.027 0.000 0.631 48 A CB -0.879 18.139 19.000 0.031 0.000 0.814 48 A HN 0.209 nan 8.150 nan 0.000 0.446 49 T N 0.357 114.947 114.554 0.060 0.000 2.701 49 T HA -0.076 4.275 4.350 0.002 0.000 0.263 49 T C 1.819 176.543 174.700 0.040 0.000 1.040 49 T CA 1.415 63.555 62.100 0.067 0.000 1.147 49 T CB -0.271 68.695 68.868 0.163 0.000 0.865 49 T HN 0.310 nan 8.240 nan 0.000 0.426 50 I N 1.197 121.791 120.570 0.040 0.000 2.226 50 I HA -0.071 4.101 4.170 0.002 0.000 0.245 50 I C 2.376 178.521 176.117 0.045 0.000 1.100 50 I CA 1.185 62.505 61.300 0.033 0.000 1.374 50 I CB -1.258 36.755 38.000 0.022 0.000 1.057 50 I HN 0.279 nan 8.210 nan 0.000 0.413 51 I N 0.415 121.012 120.570 0.044 0.000 2.226 51 I HA -0.276 3.895 4.170 0.002 0.000 0.245 51 I C 2.601 178.774 176.117 0.093 0.000 1.100 51 I CA 1.136 62.478 61.300 0.070 0.000 1.374 51 I CB -0.351 37.672 38.000 0.038 0.000 1.057 51 I HN 0.129 nan 8.210 nan 0.000 0.413 52 S N 0.535 116.266 115.700 0.051 0.000 2.356 52 S HA -0.164 4.307 4.470 0.002 0.000 0.223 52 S C 2.048 176.657 174.600 0.015 0.000 1.032 52 S CA 1.269 59.486 58.200 0.028 0.000 1.005 52 S CB -0.290 62.909 63.200 -0.002 0.000 0.867 52 S HN 0.384 nan 8.310 nan 0.000 0.449 53 R N 0.678 121.188 120.500 0.017 0.000 2.120 53 R HA 0.061 4.402 4.340 0.002 0.000 0.234 53 R C 1.798 178.115 176.300 0.028 0.000 1.123 53 R CA 0.824 56.931 56.100 0.011 0.000 0.975 53 R CB -0.396 29.911 30.300 0.011 0.000 0.866 53 R HN 0.368 nan 8.270 nan 0.000 0.446 54 L N -0.421 120.845 121.223 0.071 0.000 2.610 54 L HA 0.076 4.417 4.340 0.002 0.000 0.232 54 L C 1.026 177.919 176.870 0.039 0.000 1.149 54 L CA 0.610 55.523 54.840 0.122 0.000 0.872 54 L CB 0.132 42.330 42.059 0.232 0.000 0.992 54 L HN 0.513 nan 8.230 nan 0.000 0.447 55 G N -0.686 108.084 108.800 -0.050 0.000 2.154 55 G HA2 -0.207 3.754 3.960 0.002 0.000 0.186 55 G HA3 -0.207 3.754 3.960 0.002 0.000 0.186 55 G C -0.223 174.398 174.900 -0.464 0.000 1.000 55 G CA -0.588 44.364 45.100 -0.246 0.000 0.664 55 G HN 0.495 nan 8.290 nan 0.000 0.513 56 H N -0.372 118.684 119.070 -0.023 0.000 2.646 56 H HA 0.580 5.137 4.556 0.002 0.000 0.328 56 H C 0.378 175.693 175.328 -0.022 0.000 0.998 56 H CA -0.742 55.289 56.048 -0.028 0.000 1.225 56 H CB 1.140 30.881 29.762 -0.035 0.000 1.457 56 H HN 0.300 nan 8.280 nan 0.000 0.505 57 R N 2.427 122.963 120.500 0.059 0.000 2.502 57 R HA 0.129 4.470 4.340 0.002 0.000 0.292 57 R C -0.747 175.578 176.300 0.041 0.000 0.998 57 R CA 0.541 56.660 56.100 0.031 0.000 1.056 57 R CB 0.213 30.521 30.300 0.014 0.000 0.939 57 R HN 0.649 nan 8.270 nan 0.000 0.411 58 T N 2.657 117.227 114.554 0.026 0.000 2.893 58 T HA 0.620 4.971 4.350 0.002 0.000 0.293 58 T C -1.179 173.529 174.700 0.014 0.000 1.027 58 T CA -0.645 61.468 62.100 0.021 0.000 0.988 58 T CB 1.928 70.809 68.868 0.022 0.000 1.043 58 T HN 0.688 nan 8.240 nan 0.000 0.461 59 A N 2.293 125.122 122.820 0.015 0.000 2.342 59 A HA 0.843 5.164 4.320 0.002 0.000 0.323 59 A C -0.825 176.769 177.584 0.017 0.000 1.125 59 A CA -0.584 51.463 52.037 0.017 0.000 0.785 59 A CB 0.912 19.927 19.000 0.026 0.000 1.221 59 A HN 0.699 nan 8.150 nan 0.000 0.463 63 R N 1.168 121.667 120.500 -0.001 0.000 2.533 63 R HA 0.760 5.101 4.340 0.002 0.000 0.288 63 R C -1.087 175.224 176.300 0.018 0.000 1.039 63 R CA -0.522 55.582 56.100 0.007 0.000 0.909 63 R CB 0.996 31.301 30.300 0.008 0.000 1.195 63 R HN 0.726 nan 8.270 nan 0.000 0.438 64 I N 0.020 120.603 120.570 0.022 0.000 3.074 64 I HA 0.791 4.962 4.170 0.002 0.000 0.310 64 I C -0.011 176.125 176.117 0.032 0.000 1.153 64 I CA -1.305 60.014 61.300 0.031 0.000 0.993 64 I CB 2.222 40.242 38.000 0.034 0.000 1.237 64 I HN 0.614 nan 8.210 nan 0.000 0.443 65 G N 1.234 110.056 108.800 0.037 0.000 2.528 65 G HA2 0.356 4.317 3.960 0.002 0.000 0.289 65 G HA3 0.356 4.317 3.960 0.002 0.000 0.289 65 G C -0.511 174.408 174.900 0.032 0.000 1.192 65 G CA -0.519 44.600 45.100 0.033 0.000 0.921 65 G HN 0.699 nan 8.290 nan 0.000 0.512 66 K N 0.809 121.226 120.400 0.028 0.000 2.758 66 K HA 0.250 4.571 4.320 0.002 0.000 0.250 66 K C -0.632 175.985 176.600 0.028 0.000 1.268 66 K CA -0.463 55.840 56.287 0.027 0.000 1.228 66 K CB -0.488 32.025 32.500 0.021 0.000 1.715 66 K HN 0.613 nan 8.250 nan 0.000 0.334 67 D N -1.053 119.368 120.400 0.035 0.000 2.732 67 D HA 0.329 4.970 4.640 0.002 0.000 0.292 67 D C 0.688 177.015 176.300 0.046 0.000 1.135 67 D CA -0.534 53.486 54.000 0.034 0.000 1.071 67 D CB 0.388 41.206 40.800 0.030 0.000 1.457 67 D HN -0.056 nan 8.370 nan 0.000 0.547 68 A N -0.056 122.788 122.820 0.040 0.000 1.940 68 A HA 0.088 4.409 4.320 0.002 0.000 0.219 68 A C 2.093 179.726 177.584 0.083 0.000 1.176 68 A CA 2.628 54.695 52.037 0.050 0.000 0.631 68 A CB -1.356 17.655 19.000 0.018 0.000 0.814 68 A HN 0.698 nan 8.150 nan 0.000 0.446 69 A N -0.495 122.365 122.820 0.067 0.000 1.902 69 A HA 0.128 4.449 4.320 0.002 0.000 0.217 69 A C 2.419 180.097 177.584 0.156 0.000 1.181 69 A CA 1.902 54.002 52.037 0.106 0.000 0.623 69 A CB -1.378 17.662 19.000 0.067 0.000 0.818 69 A HN 0.734 nan 8.150 nan 0.000 0.443 70 G N -1.041 107.820 108.800 0.103 0.000 2.418 70 G HA2 -0.254 3.707 3.960 0.002 0.000 0.217 70 G HA3 -0.254 3.707 3.960 0.002 0.000 0.217 70 G C 1.616 176.574 174.900 0.098 0.000 1.158 70 G CA 1.318 46.471 45.100 0.087 0.000 0.771 70 G HN 0.535 nan 8.290 nan 0.000 0.545 71 Q N -0.367 119.499 119.800 0.109 0.000 2.119 71 Q HA -0.025 4.316 4.340 0.002 0.000 0.201 71 Q C 2.026 178.118 176.000 0.153 0.000 0.972 71 Q CA 0.951 56.818 55.803 0.106 0.000 0.847 71 Q CB -0.548 28.248 28.738 0.096 0.000 0.903 71 Q HN 0.404 nan 8.270 nan 0.000 0.433 72 F N -0.004 119.964 119.950 0.030 0.000 2.134 72 F HA -0.119 4.409 4.527 0.002 0.000 0.299 72 F C 1.668 177.503 175.800 0.057 0.000 1.097 72 F CA 1.277 59.300 58.000 0.038 0.000 1.264 72 F CB -0.246 38.769 39.000 0.024 0.000 1.001 72 F HN 0.113 nan 8.300 nan 0.000 0.479 73 I N -0.301 120.298 120.570 0.048 0.000 2.252 73 I HA -0.320 3.851 4.170 0.002 0.000 0.245 73 I C 2.339 178.450 176.117 -0.010 0.000 1.102 73 I CA 1.175 62.453 61.300 -0.036 0.000 1.385 73 I CB -0.494 37.523 38.000 0.028 0.000 1.064 73 I HN 0.145 nan 8.210 nan 0.000 0.414 74 L N 0.121 121.353 121.223 0.016 0.000 2.083 74 L HA -0.224 4.117 4.340 0.002 0.000 0.209 74 L C 2.110 178.974 176.870 -0.010 0.000 1.083 74 L CA 1.160 56.007 54.840 0.011 0.000 0.752 74 L CB -0.715 41.357 42.059 0.022 0.000 0.899 74 L HN 0.274 nan 8.230 nan 0.000 0.433 75 D N -1.059 119.330 120.400 -0.019 0.000 2.144 75 D HA -0.211 4.430 4.640 0.002 0.000 0.200 75 D C 1.953 178.202 176.300 -0.085 0.000 0.978 75 D CA 1.342 55.320 54.000 -0.038 0.000 0.833 75 D CB -0.155 40.639 40.800 -0.010 0.000 0.961 75 D HN 0.420 nan 8.370 nan 0.000 0.470 76 H N 0.288 119.214 119.070 -0.239 0.000 2.319 76 H HA -0.107 4.450 4.556 0.002 0.000 0.299 76 H C 2.114 177.361 175.328 -0.135 0.000 1.092 76 H CA 2.012 57.914 56.048 -0.243 0.000 1.302 76 H CB -0.363 29.196 29.762 -0.339 0.000 1.373 76 H HN 0.057 nan 8.280 nan 0.000 0.497 77 C N 0.403 119.658 119.300 -0.076 0.000 2.413 77 C HA -0.093 4.369 4.460 0.002 0.000 0.276 77 C C 2.812 177.732 174.990 -0.117 0.000 1.248 77 C CA 1.273 60.238 59.018 -0.088 0.000 1.742 77 C CB -0.980 26.756 27.740 -0.007 0.000 2.017 77 C HN 0.633 nan 8.230 nan 0.000 0.481 78 R N 1.152 121.600 120.500 -0.088 0.000 2.091 78 R HA -0.158 4.183 4.340 0.002 0.000 0.238 78 R C 2.137 178.379 176.300 -0.098 0.000 1.136 78 R CA 1.579 57.636 56.100 -0.072 0.000 0.959 78 R CB -0.183 30.090 30.300 -0.046 0.000 0.856 78 R HN 0.530 nan 8.270 nan 0.000 0.437 79 K N -0.184 120.132 120.400 -0.141 0.000 2.148 79 K HA -0.083 4.238 4.320 0.002 0.000 0.204 79 K C 1.474 177.971 176.600 -0.172 0.000 1.050 79 K CA 1.025 57.223 56.287 -0.147 0.000 0.942 79 K CB 0.155 32.556 32.500 -0.165 0.000 0.724 79 K HN 0.168 nan 8.250 nan 0.000 0.446 80 E N 0.422 120.476 120.200 -0.244 0.000 2.479 80 E HA 0.011 4.362 4.350 0.002 0.000 0.193 80 E C -0.409 176.120 176.600 -0.118 0.000 1.049 80 E CA 0.102 56.377 56.400 -0.208 0.000 0.870 80 E CB -0.071 29.446 29.700 -0.305 0.000 0.944 80 E HN 0.306 nan 8.360 nan 0.000 0.492 81 N N 0.312 118.954 118.700 -0.097 0.000 2.776 81 N HA -0.186 4.555 4.740 0.002 0.000 0.250 81 N C -0.567 174.916 175.510 -0.045 0.000 1.112 81 N CA 0.113 53.127 53.050 -0.060 0.000 0.733 81 N CB -1.306 37.151 38.487 -0.049 0.000 1.097 81 N HN 0.183 nan 8.380 nan 0.000 0.558 82 I N 0.848 121.387 120.570 -0.052 0.000 2.416 82 I HA 0.040 4.211 4.170 0.002 0.000 0.288 82 I C 0.734 176.841 176.117 -0.015 0.000 1.051 82 I CA -0.281 61.003 61.300 -0.026 0.000 1.375 82 I CB 0.498 38.487 38.000 -0.018 0.000 1.407 82 I HN 0.110 nan 8.210 nan 0.000 0.516 83 D N 7.843 128.241 120.400 -0.004 0.000 2.417 83 D HA 0.047 4.688 4.640 0.002 0.000 0.250 83 D C 0.494 176.797 176.300 0.005 0.000 1.166 83 D CA 0.176 54.176 54.000 0.001 0.000 0.881 83 D CB 0.913 41.718 40.800 0.008 0.000 1.164 83 D HN 0.549 nan 8.370 nan 0.000 0.467 84 I N 0.922 121.494 120.570 0.003 0.000 3.947 84 I HA 0.153 4.324 4.170 0.002 0.000 0.327 84 I C 1.572 177.693 176.117 0.006 0.000 1.519 84 I CA -0.627 60.676 61.300 0.006 0.000 1.122 84 I CB 0.269 38.272 38.000 0.004 0.000 1.146 84 I HN 0.313 nan 8.210 nan 0.000 0.442 85 Q N 1.741 121.546 119.800 0.008 0.000 2.170 85 Q HA -0.125 4.216 4.340 0.002 0.000 0.203 85 Q C 1.582 177.586 176.000 0.006 0.000 0.976 85 Q CA 2.188 57.996 55.803 0.008 0.000 0.858 85 Q CB 0.180 28.924 28.738 0.010 0.000 0.907 85 Q HN 0.643 nan 8.270 nan 0.000 0.433 86 S N 0.072 115.776 115.700 0.007 0.000 2.501 86 S HA 0.114 4.585 4.470 0.002 0.000 0.220 86 S C 0.542 175.138 174.600 -0.006 0.000 0.997 86 S CA -0.226 57.974 58.200 -0.000 0.000 0.919 86 S CB 0.178 63.381 63.200 0.005 0.000 0.778 86 S HN 0.398 nan 8.310 nan 0.000 0.523 87 L N 3.007 124.231 121.223 0.001 0.000 2.363 87 L HA 0.303 4.644 4.340 0.002 0.000 0.286 87 L C -0.061 176.810 176.870 0.003 0.000 1.106 87 L CA -0.118 54.723 54.840 0.001 0.000 0.859 87 L CB 0.327 42.390 42.059 0.006 0.000 1.223 87 L HN 0.002 nan 8.230 nan 0.000 0.446 88 K N 3.740 124.139 120.400 -0.000 0.000 2.139 88 K HA 0.409 4.730 4.320 0.002 0.000 0.243 88 K C -0.822 175.783 176.600 0.008 0.000 0.983 88 K CA -0.686 55.603 56.287 0.003 0.000 0.890 88 K CB 1.224 33.723 32.500 -0.001 0.000 1.090 88 K HN 0.586 nan 8.250 nan 0.000 0.445 89 Q N 1.250 121.057 119.800 0.012 0.000 2.256 89 Q HA 0.157 4.498 4.340 0.002 0.000 0.257 89 Q C -1.358 174.651 176.000 0.015 0.000 0.936 89 Q CA -0.693 55.120 55.803 0.016 0.000 0.903 89 Q CB 1.722 30.472 28.738 0.020 0.000 1.263 89 Q HN 0.414 nan 8.270 nan 0.000 0.440 90 D N 2.149 122.560 120.400 0.018 0.000 2.381 90 D HA 0.075 4.716 4.640 0.002 0.000 0.235 90 D C 0.100 176.411 176.300 0.018 0.000 1.068 90 D CA -0.308 53.702 54.000 0.017 0.000 0.832 90 D CB 2.058 42.869 40.800 0.018 0.000 1.101 90 D HN 0.352 nan 8.370 nan 0.000 0.515 91 V N 3.680 123.603 119.914 0.015 0.000 2.970 91 V HA -0.129 3.992 4.120 0.002 0.000 0.260 91 V C 1.734 177.837 176.094 0.015 0.000 1.100 91 V CA 2.293 64.602 62.300 0.015 0.000 1.122 91 V CB -0.232 31.598 31.823 0.013 0.000 0.721 91 V HN 0.632 nan 8.190 nan 0.000 0.483 92 S N 0.167 115.876 115.700 0.015 0.000 2.593 92 S HA 0.254 4.725 4.470 0.002 0.000 0.217 92 S C 0.627 175.237 174.600 0.017 0.000 0.966 92 S CA 0.215 58.423 58.200 0.014 0.000 0.914 92 S CB -0.528 62.680 63.200 0.013 0.000 0.776 92 S HN 0.730 nan 8.310 nan 0.000 0.523 93 I N -2.494 118.089 120.570 0.021 0.000 2.934 93 I HA 0.642 4.813 4.170 0.002 0.000 0.306 93 I C -1.781 174.353 176.117 0.029 0.000 1.110 93 I CA -1.070 60.246 61.300 0.027 0.000 1.019 93 I CB 1.971 39.993 38.000 0.036 0.000 1.227 93 I HN -0.249 nan 8.210 nan 0.000 0.434 94 D N 3.105 123.524 120.400 0.032 0.000 2.193 94 D HA 0.262 4.903 4.640 0.002 0.000 0.244 94 D C -0.322 176.005 176.300 0.045 0.000 1.064 94 D CA -0.094 53.926 54.000 0.034 0.000 0.845 94 D CB 2.191 43.008 40.800 0.029 0.000 1.148 94 D HN 0.561 nan 8.370 nan 0.000 0.464 95 T N 1.558 116.139 114.554 0.045 0.000 2.928 95 T HA 0.037 4.388 4.350 0.002 0.000 0.305 95 T C 0.618 175.352 174.700 0.057 0.000 1.035 95 T CA 0.076 62.208 62.100 0.052 0.000 1.145 95 T CB 0.377 69.279 68.868 0.055 0.000 0.963 95 T HN 0.147 nan 8.240 nan 0.000 0.545 96 S N 2.960 118.700 115.700 0.067 0.000 2.525 96 S HA 0.162 4.633 4.470 0.002 0.000 0.285 96 S C 0.287 174.922 174.600 0.059 0.000 1.283 96 S CA -0.233 58.013 58.200 0.076 0.000 1.072 96 S CB -0.232 63.021 63.200 0.088 0.000 0.867 96 S HN 0.445 nan 8.310 nan 0.000 0.492 97 I N 4.061 124.666 120.570 0.058 0.000 2.382 97 I HA 0.261 4.432 4.170 0.002 0.000 0.285 97 I C -0.492 175.660 176.117 0.060 0.000 1.007 97 I CA -0.697 60.632 61.300 0.049 0.000 1.142 97 I CB 1.323 39.346 38.000 0.037 0.000 1.289 97 I HN 0.401 nan 8.210 nan 0.000 0.453 98 N N 5.628 124.362 118.700 0.055 0.000 2.422 98 N HA 0.318 5.059 4.740 0.002 0.000 0.266 98 N C -0.696 174.899 175.510 0.142 0.000 1.007 98 N CA -0.270 52.825 53.050 0.076 0.000 0.941 98 N CB 2.004 40.475 38.487 -0.026 0.000 1.115 98 N HN 0.189 nan 8.380 nan 0.000 0.492 99 V N 1.361 121.382 119.914 0.178 0.000 2.364 99 V HA 0.548 4.669 4.120 0.002 0.000 0.272 99 V C 0.960 177.205 176.094 0.251 0.000 1.036 99 V CA -0.826 61.573 62.300 0.164 0.000 0.880 99 V CB 1.049 32.930 31.823 0.097 0.000 0.991 99 V HN 0.670 nan 8.190 nan 0.000 0.460 100 G N 5.066 113.995 108.800 0.215 0.000 2.332 100 G HA2 0.615 4.577 3.960 0.002 0.000 0.310 100 G HA3 0.615 4.577 3.960 0.002 0.000 0.310 100 G C -0.719 174.137 174.900 -0.074 0.000 1.123 100 G CA -0.593 44.546 45.100 0.064 0.000 0.873 100 G HN 0.643 nan 8.290 nan 0.000 0.460 101 L N 3.039 124.148 121.223 -0.189 0.000 2.283 101 L HA 0.305 4.646 4.340 0.002 0.000 0.281 101 L C -0.405 176.366 176.870 -0.165 0.000 1.033 101 L CA -0.824 53.937 54.840 -0.132 0.000 0.848 101 L CB 1.538 43.536 42.059 -0.101 0.000 1.226 101 L HN 0.140 nan 8.230 nan 0.000 0.429 102 V N 1.835 121.683 119.914 -0.110 0.000 2.350 102 V HA 0.308 4.429 4.120 0.002 0.000 0.276 102 V C 0.751 176.808 176.094 -0.061 0.000 1.028 102 V CA -0.602 61.643 62.300 -0.092 0.000 0.860 102 V CB 1.269 33.059 31.823 -0.054 0.000 0.990 102 V HN 0.813 nan 8.190 nan 0.000 0.453 103 T N 1.198 115.716 114.554 -0.060 0.000 2.788 103 T HA 0.289 4.640 4.350 0.002 0.000 0.280 103 T C 0.985 175.673 174.700 -0.020 0.000 0.984 103 T CA -0.512 61.565 62.100 -0.039 0.000 0.972 103 T CB 1.121 69.966 68.868 -0.038 0.000 1.039 103 T HN 0.520 nan 8.240 nan 0.000 0.530 104 E N 0.729 120.923 120.200 -0.009 0.000 2.160 104 E HA -0.099 4.252 4.350 0.002 0.000 0.195 104 E C 1.608 178.208 176.600 -0.000 0.000 0.991 104 E CA 1.552 57.953 56.400 0.002 0.000 0.810 104 E CB -0.528 29.177 29.700 0.009 0.000 0.742 104 E HN 0.908 nan 8.360 nan 0.000 0.466 105 D N -1.582 118.814 120.400 -0.006 0.000 2.363 105 D HA 0.042 4.684 4.640 0.002 0.000 0.220 105 D C 1.360 177.657 176.300 -0.005 0.000 0.994 105 D CA 0.863 54.860 54.000 -0.004 0.000 0.890 105 D CB -0.027 40.769 40.800 -0.006 0.000 0.906 105 D HN 0.204 nan 8.370 nan 0.000 0.530 106 G N -0.652 108.143 108.800 -0.009 0.000 2.241 106 G HA2 -0.282 3.679 3.960 0.002 0.000 0.244 106 G HA3 -0.282 3.679 3.960 0.002 0.000 0.244 106 G C 0.386 175.275 174.900 -0.018 0.000 0.998 106 G CA 0.173 45.269 45.100 -0.008 0.000 0.621 106 G HN 0.348 nan 8.290 nan 0.000 0.519 107 E N 0.693 120.877 120.200 -0.027 0.000 2.766 107 E HA 0.550 4.901 4.350 0.002 0.000 0.261 107 E C 1.022 177.569 176.600 -0.087 0.000 1.427 107 E CA 0.571 56.946 56.400 -0.042 0.000 1.085 107 E CB 0.335 30.012 29.700 -0.038 0.000 1.074 107 E HN 0.943 nan 8.360 nan 0.000 0.651 108 R N -1.838 118.578 120.500 -0.140 0.000 2.858 108 R HA 0.335 4.676 4.340 0.002 0.000 0.252 108 R C -1.076 174.973 176.300 -0.420 0.000 1.063 108 R CA -0.620 55.312 56.100 -0.280 0.000 0.955 108 R CB 0.383 30.476 30.300 -0.345 0.000 1.259 108 R HN 0.590 nan 8.270 nan 0.000 0.477 109 T N -0.747 113.530 114.554 -0.462 0.000 2.940 109 T HA 0.785 5.136 4.350 0.002 0.000 0.288 109 T C -0.636 173.703 174.700 -0.601 0.000 1.045 109 T CA -0.691 61.176 62.100 -0.388 0.000 1.018 109 T CB 1.274 70.060 68.868 -0.136 0.000 1.151 109 T HN 0.329 nan 8.240 nan 0.000 0.529 110 F N -0.463 119.510 119.950 0.038 0.000 2.576 110 F HA 0.652 5.180 4.527 0.002 0.000 0.313 110 F C -0.547 175.284 175.800 0.051 0.000 1.078 110 F CA -1.189 56.838 58.000 0.045 0.000 0.921 110 F CB 2.423 41.455 39.000 0.053 0.000 1.232 110 F HN 0.399 nan 8.300 nan 0.000 0.459 111 V N 1.744 121.813 119.914 0.259 0.000 2.384 111 V HA 0.671 4.792 4.120 0.002 0.000 0.287 111 V C -0.214 175.979 176.094 0.166 0.000 1.020 111 V CA -0.512 61.886 62.300 0.163 0.000 0.850 111 V CB 1.564 33.454 31.823 0.112 0.000 0.987 111 V HN 0.912 nan 8.190 nan 0.000 0.436 112 T N 0.789 115.428 114.554 0.141 0.000 2.887 112 T HA 0.490 4.842 4.350 0.002 0.000 0.292 112 T C -0.581 174.170 174.700 0.085 0.000 1.087 112 T CA -0.879 61.302 62.100 0.134 0.000 1.009 112 T CB 1.983 70.968 68.868 0.194 0.000 1.203 112 T HN 0.405 nan 8.240 nan 0.000 0.518 113 N N 0.167 118.921 118.700 0.090 0.000 2.500 113 N HA 0.255 4.996 4.740 0.002 0.000 0.236 113 N C 0.833 176.301 175.510 -0.070 0.000 1.022 113 N CA -0.806 52.257 53.050 0.022 0.000 0.935 113 N CB 1.329 39.844 38.487 0.047 0.000 1.147 113 N HN 0.660 nan 8.380 nan 0.000 0.512 114 R N 3.373 123.710 120.500 -0.273 0.000 2.241 114 R HA 0.057 4.398 4.340 0.002 0.000 0.224 114 R C 0.115 176.042 176.300 -0.622 0.000 1.101 114 R CA 1.526 57.174 56.100 -0.752 0.000 0.995 114 R CB -0.217 29.715 30.300 -0.613 0.000 0.870 114 R HN 0.635 nan 8.270 nan 0.000 0.463 115 N N -0.792 117.766 118.700 -0.237 0.000 2.214 115 N HA 0.173 4.914 4.740 0.002 0.000 0.214 115 N C 0.009 175.535 175.510 0.027 0.000 1.132 115 N CA 0.101 53.096 53.050 -0.092 0.000 0.856 115 N CB 0.956 39.402 38.487 -0.067 0.000 1.020 115 N HN 0.187 nan 8.380 nan 0.000 0.509 116 G N 0.164 109.017 108.800 0.090 0.000 2.667 116 G HA2 0.039 4.000 3.960 0.002 0.000 0.250 116 G HA3 0.039 4.000 3.960 0.002 0.000 0.250 116 G C 1.080 176.091 174.900 0.185 0.000 1.212 116 G CA -0.294 44.894 45.100 0.148 0.000 0.874 116 G HN 0.210 nan 8.290 nan 0.000 0.561 117 S N 0.765 116.538 115.700 0.122 0.000 2.387 117 S HA -0.255 4.216 4.470 0.002 0.000 0.230 117 S C 2.318 176.974 174.600 0.093 0.000 1.035 117 S CA 1.468 59.724 58.200 0.093 0.000 1.014 117 S CB -0.537 62.699 63.200 0.060 0.000 0.836 117 S HN 0.598 nan 8.310 nan 0.000 0.466 118 L N -0.658 120.622 121.223 0.095 0.000 2.079 118 L HA -0.035 4.306 4.340 0.002 0.000 0.210 118 L C 2.202 179.046 176.870 -0.043 0.000 1.081 118 L CA 1.641 56.477 54.840 -0.007 0.000 0.752 118 L CB -0.345 41.670 42.059 -0.072 0.000 0.896 118 L HN 0.386 nan 8.230 nan 0.000 0.433 119 W N -0.110 121.192 121.300 0.003 0.000 2.678 119 W HA 0.002 4.663 4.660 0.002 0.000 0.256 119 W C 2.215 178.737 176.519 0.006 0.000 1.280 119 W CA 0.108 57.458 57.345 0.007 0.000 1.345 119 W CB 0.070 29.535 29.460 0.007 0.000 1.118 119 W HN -0.041 nan 8.180 nan 0.000 0.629 120 K N -0.044 120.476 120.400 0.201 0.000 2.356 120 K HA 0.082 4.403 4.320 0.002 0.000 0.195 120 K C 0.525 177.163 176.600 0.063 0.000 1.037 120 K CA -0.089 56.270 56.287 0.119 0.000 1.014 120 K CB -0.646 31.910 32.500 0.094 0.000 0.815 120 K HN 0.041 nan 8.250 nan 0.000 0.507 121 L N 3.262 124.509 121.223 0.040 0.000 2.601 121 L HA -0.076 4.265 4.340 0.002 0.000 0.277 121 L C -0.079 176.789 176.870 -0.002 0.000 1.219 121 L CA 0.543 55.386 54.840 0.005 0.000 0.915 121 L CB -0.331 41.717 42.059 -0.019 0.000 1.160 121 L HN 0.347 nan 8.230 nan 0.000 0.494 122 N N 2.679 121.371 118.700 -0.013 0.000 3.204 122 N HA 0.238 4.980 4.740 0.002 0.000 0.285 122 N C 0.541 176.027 175.510 -0.039 0.000 1.536 122 N CA -0.477 52.563 53.050 -0.017 0.000 0.832 122 N CB 0.164 38.653 38.487 0.003 0.000 1.645 122 N HN 0.451 nan 8.380 nan 0.000 0.586 123 I N -0.179 120.371 120.570 -0.033 0.000 2.423 123 I HA -0.220 3.952 4.170 0.002 0.000 0.254 123 I C 0.401 176.473 176.117 -0.076 0.000 1.151 123 I CA 1.517 62.789 61.300 -0.047 0.000 1.421 123 I CB -0.158 37.853 38.000 0.019 0.000 1.079 123 I HN 0.454 nan 8.210 nan 0.000 0.431 124 D N 0.917 121.291 120.400 -0.044 0.000 2.263 124 D HA -0.173 4.468 4.640 0.002 0.000 0.208 124 D C 1.342 177.592 176.300 -0.082 0.000 0.971 124 D CA 1.081 55.053 54.000 -0.046 0.000 0.867 124 D CB -0.298 40.490 40.800 -0.020 0.000 0.929 124 D HN 0.477 nan 8.370 nan 0.000 0.492 125 D N 0.171 120.517 120.400 -0.089 0.000 2.349 125 D HA 0.001 4.642 4.640 0.002 0.000 0.224 125 D C 0.157 176.367 176.300 -0.150 0.000 1.029 125 D CA 0.131 54.076 54.000 -0.092 0.000 0.879 125 D CB 1.005 41.771 40.800 -0.057 0.000 0.906 125 D HN 0.040 nan 8.370 nan 0.000 0.528 126 V N 1.913 121.665 119.914 -0.269 0.000 2.364 126 V HA 0.048 4.169 4.120 0.002 0.000 0.272 126 V C 0.244 175.978 176.094 -0.601 0.000 1.036 126 V CA -0.724 61.303 62.300 -0.455 0.000 0.880 126 V CB 1.827 33.207 31.823 -0.738 0.000 0.991 126 V HN -0.093 nan 8.190 nan 0.000 0.460 127 D N 4.367 124.543 120.400 -0.374 0.000 2.494 127 D HA 0.194 4.835 4.640 0.002 0.000 0.217 127 D C 0.787 176.853 176.300 -0.389 0.000 1.153 127 D CA -0.280 53.554 54.000 -0.277 0.000 0.954 127 D CB 0.418 41.162 40.800 -0.093 0.000 1.034 127 D HN 0.379 nan 8.370 nan 0.000 0.518 128 F N 1.999 121.681 119.950 -0.447 0.000 2.250 128 F HA -0.112 4.416 4.527 0.002 0.000 0.301 128 F C 2.528 178.090 175.800 -0.396 0.000 1.077 128 F CA 0.848 58.364 58.000 -0.808 0.000 1.348 128 F CB -0.625 38.023 39.000 -0.587 0.000 1.040 128 F HN 0.470 nan 8.300 nan 0.000 0.509 129 A N -0.082 122.730 122.820 -0.013 0.000 2.070 129 A HA -0.150 4.171 4.320 0.002 0.000 0.220 129 A C 2.204 179.837 177.584 0.082 0.000 1.159 129 A CA 1.184 53.242 52.037 0.035 0.000 0.656 129 A CB -0.536 18.479 19.000 0.024 0.000 0.800 129 A HN 0.352 nan 8.150 nan 0.000 0.453 130 R N -1.823 118.744 120.500 0.112 0.000 2.317 130 R HA 0.146 4.487 4.340 0.002 0.000 0.208 130 R C 0.934 177.430 176.300 0.326 0.000 0.914 130 R CA -0.090 56.117 56.100 0.178 0.000 1.060 130 R CB -0.124 30.260 30.300 0.141 0.000 1.015 130 R HN 0.444 nan 8.270 nan 0.000 0.498 131 F N 1.460 121.461 119.950 0.085 0.000 2.202 131 F HA -0.184 4.344 4.527 0.002 0.000 0.301 131 F C 2.549 178.392 175.800 0.071 0.000 1.082 131 F CA 1.417 59.474 58.000 0.094 0.000 1.313 131 F CB -0.741 38.350 39.000 0.152 0.000 1.024 131 F HN 0.024 nan 8.300 nan 0.000 0.495 132 S N -1.091 114.760 115.700 0.251 0.000 2.507 132 S HA -0.132 4.339 4.470 0.002 0.000 0.235 132 S C 1.599 176.258 174.600 0.099 0.000 0.988 132 S CA 0.545 58.831 58.200 0.144 0.000 0.944 132 S CB -0.307 62.961 63.200 0.113 0.000 0.762 132 S HN 0.346 nan 8.310 nan 0.000 0.526 133 Q N 0.880 120.743 119.800 0.105 0.000 2.432 133 Q HA 0.438 4.779 4.340 0.002 0.000 0.205 133 Q C 0.776 176.805 176.000 0.048 0.000 0.945 133 Q CA 0.641 56.486 55.803 0.070 0.000 0.924 133 Q CB 0.105 28.886 28.738 0.072 0.000 1.016 133 Q HN 0.752 nan 8.270 nan 0.000 0.503 134 A N 0.041 122.885 122.820 0.039 0.000 2.387 134 A HA 0.521 4.842 4.320 0.002 0.000 0.303 134 A C 0.367 177.946 177.584 -0.008 0.000 1.145 134 A CA -0.503 51.538 52.037 0.006 0.000 0.801 134 A CB 1.280 20.268 19.000 -0.021 0.000 1.342 134 A HN 0.002 nan 8.150 nan 0.000 0.440 135 K N -0.655 119.735 120.400 -0.016 0.000 2.348 135 K HA 0.347 4.668 4.320 0.002 0.000 0.194 135 K C -0.281 176.300 176.600 -0.033 0.000 1.052 135 K CA 0.427 56.704 56.287 -0.017 0.000 1.004 135 K CB 0.477 32.970 32.500 -0.012 0.000 0.873 135 K HN 0.524 nan 8.250 nan 0.000 0.523 136 L N 1.127 122.320 121.223 -0.051 0.000 2.445 136 L HA 0.454 4.795 4.340 0.002 0.000 0.262 136 L C -1.991 174.829 176.870 -0.084 0.000 0.974 136 L CA -1.173 53.636 54.840 -0.053 0.000 0.822 136 L CB 1.872 43.909 42.059 -0.037 0.000 1.339 136 L HN -0.127 nan 8.230 nan 0.000 0.409 137 L N 3.261 124.430 121.223 -0.091 0.000 2.322 137 L HA 0.640 4.981 4.340 0.002 0.000 0.281 137 L C -0.752 176.106 176.870 -0.020 0.000 1.014 137 L CA 0.287 55.061 54.840 -0.109 0.000 0.815 137 L CB 1.934 43.882 42.059 -0.186 0.000 1.247 137 L HN 0.579 nan 8.230 nan 0.000 0.421 138 S N 4.931 120.634 115.700 0.006 0.000 2.566 138 S HA 0.496 4.967 4.470 0.002 0.000 0.324 138 S C -0.921 173.722 174.600 0.071 0.000 1.081 138 S CA -0.589 57.639 58.200 0.048 0.000 1.105 138 S CB 0.597 63.815 63.200 0.030 0.000 0.981 138 S HN 0.622 nan 8.310 nan 0.000 0.464 139 L N 6.046 127.342 121.223 0.121 0.000 2.312 139 L HA 0.586 4.927 4.340 0.002 0.000 0.287 139 L C 0.401 177.318 176.870 0.078 0.000 1.091 139 L CA 0.065 54.986 54.840 0.135 0.000 0.846 139 L CB 0.324 42.535 42.059 0.254 0.000 1.219 139 L HN 0.742 nan 8.230 nan 0.000 0.439 140 A N 3.899 126.744 122.820 0.041 0.000 2.805 140 A HA 0.539 4.860 4.320 0.002 0.000 0.301 140 A C 0.402 177.989 177.584 0.004 0.000 1.557 140 A CA 0.151 52.200 52.037 0.021 0.000 1.254 140 A CB -0.716 18.288 19.000 0.006 0.000 1.114 140 A HN 0.878 nan 8.150 nan 0.000 0.553 141 S N 0.722 116.428 115.700 0.010 0.000 3.741 141 S HA -0.108 4.363 4.470 0.002 0.000 0.746 141 S C -0.068 174.511 174.600 -0.036 0.000 0.477 141 S CA -0.185 58.013 58.200 -0.004 0.000 1.449 141 S CB -1.568 61.630 63.200 -0.003 0.000 0.863 141 S HN 0.745 nan 8.310 nan 0.000 1.075 142 I N 3.903 124.420 120.570 -0.087 0.000 2.683 142 I HA 0.095 4.266 4.170 0.002 0.000 0.286 142 I C 1.220 177.203 176.117 -0.224 0.000 1.175 142 I CA 0.579 61.724 61.300 -0.258 0.000 1.429 142 I CB -0.100 37.654 38.000 -0.411 0.000 1.371 142 I HN 0.806 nan 8.210 nan 0.000 0.569 143 F N 2.887 122.816 119.950 -0.035 0.000 2.427 143 F HA -0.317 4.211 4.527 0.002 0.000 0.567 143 F C 1.540 177.259 175.800 -0.136 0.000 0.511 143 F CA 1.012 58.973 58.000 -0.065 0.000 1.311 143 F CB -1.721 37.258 39.000 -0.035 0.000 2.049 143 F HN 0.566 nan 8.300 nan 0.000 0.259 144 N N 0.379 119.091 118.700 0.022 0.000 2.084 144 N HA -0.047 4.694 4.740 0.002 0.000 0.190 144 N C 0.268 175.630 175.510 -0.246 0.000 1.030 144 N CA 1.860 54.842 53.050 -0.113 0.000 0.849 144 N CB 0.016 38.446 38.487 -0.096 0.000 1.012 144 N HN 0.262 nan 8.380 nan 0.000 0.423 145 S N 0.787 116.381 115.700 -0.176 0.000 2.532 145 S HA 0.309 4.780 4.470 0.002 0.000 0.318 145 S C -2.005 172.524 174.600 -0.118 0.000 1.083 145 S CA -1.189 56.891 58.200 -0.202 0.000 1.131 145 S CB 1.791 64.921 63.200 -0.117 0.000 0.973 145 S HN 0.189 nan 8.310 nan 0.000 0.468 146 P HA -0.130 nan 4.420 nan 0.000 0.218 146 P C 1.042 178.369 177.300 0.045 0.000 1.146 146 P CA 1.027 64.127 63.100 0.001 0.000 0.820 146 P CB 0.070 31.800 31.700 0.052 0.000 0.778 147 L N -1.934 119.311 121.223 0.037 0.000 2.275 147 L HA -0.069 4.272 4.340 0.002 0.000 0.215 147 L C 1.235 178.109 176.870 0.006 0.000 1.119 147 L CA 0.493 55.356 54.840 0.038 0.000 0.790 147 L CB -0.595 41.490 42.059 0.044 0.000 0.919 147 L HN -0.006 nan 8.230 nan 0.000 0.443 148 L N 1.985 123.197 121.223 -0.019 0.000 2.423 148 L HA 0.074 4.416 4.340 0.002 0.000 0.249 148 L C 0.102 176.940 176.870 -0.053 0.000 1.276 148 L CA -0.701 54.107 54.840 -0.053 0.000 1.199 148 L CB -0.507 41.505 42.059 -0.080 0.000 1.407 148 L HN 0.206 nan 8.230 nan 0.000 0.410 149 D N 0.313 120.698 120.400 -0.024 0.000 2.440 149 D HA 0.103 4.744 4.640 0.002 0.000 0.269 149 D C 1.412 177.688 176.300 -0.039 0.000 1.249 149 D CA -0.146 53.855 54.000 0.003 0.000 1.055 149 D CB 0.559 41.382 40.800 0.038 0.000 1.104 149 D HN 0.144 nan 8.370 nan 0.000 0.561 150 G N -0.438 108.361 108.800 -0.001 0.000 2.476 150 G HA2 -0.343 3.618 3.960 0.002 0.000 0.218 150 G HA3 -0.343 3.618 3.960 0.002 0.000 0.218 150 G C 1.392 176.270 174.900 -0.037 0.000 1.164 150 G CA 1.099 46.193 45.100 -0.010 0.000 0.768 150 G HN 0.515 nan 8.290 nan 0.000 0.560 151 K N 0.470 120.858 120.400 -0.019 0.000 2.057 151 K HA 0.047 4.368 4.320 0.002 0.000 0.207 151 K C 2.970 179.530 176.600 -0.066 0.000 1.049 151 K CA 0.996 57.266 56.287 -0.028 0.000 0.931 151 K CB -0.207 32.290 32.500 -0.006 0.000 0.714 151 K HN 0.295 nan 8.250 nan 0.000 0.440 152 A N 1.357 124.134 122.820 -0.072 0.000 1.898 152 A HA -0.093 4.228 4.320 0.002 0.000 0.216 152 A C 2.111 179.585 177.584 -0.182 0.000 1.181 152 A CA 1.069 53.055 52.037 -0.084 0.000 0.620 152 A CB -0.582 18.381 19.000 -0.061 0.000 0.819 152 A HN 0.137 nan 8.150 nan 0.000 0.442 153 L N -0.609 120.445 121.223 -0.281 0.000 2.083 153 L HA -0.175 4.166 4.340 0.002 0.000 0.209 153 L C 2.771 179.222 176.870 -0.698 0.000 1.083 153 L CA 1.757 56.228 54.840 -0.615 0.000 0.752 153 L CB -0.971 40.758 42.059 -0.550 0.000 0.899 153 L HN 0.344 nan 8.230 nan 0.000 0.433 154 T N -1.020 113.328 114.554 -0.344 0.000 2.708 154 T HA -0.221 4.130 4.350 0.002 0.000 0.266 154 T C 1.779 176.265 174.700 -0.356 0.000 1.037 154 T CA 1.633 63.544 62.100 -0.314 0.000 1.146 154 T CB -0.119 68.684 68.868 -0.108 0.000 0.865 154 T HN 0.251 nan 8.240 nan 0.000 0.435 155 E N 1.149 121.216 120.200 -0.222 0.000 2.077 155 E HA -0.061 4.290 4.350 0.002 0.000 0.193 155 E C 1.995 178.512 176.600 -0.140 0.000 0.989 155 E CA 1.119 57.412 56.400 -0.179 0.000 0.800 155 E CB -0.578 29.056 29.700 -0.111 0.000 0.746 155 E HN 0.540 nan 8.360 nan 0.000 0.452 156 I N -0.148 120.399 120.570 -0.039 0.000 2.179 156 I HA -0.240 3.931 4.170 0.002 0.000 0.242 156 I C 1.771 178.073 176.117 0.309 0.000 1.088 156 I CA 0.892 62.350 61.300 0.263 0.000 1.357 156 I CB -0.335 37.712 38.000 0.078 0.000 1.051 156 I HN 0.102 nan 8.210 nan 0.000 0.409 157 F N 0.824 120.756 119.950 -0.030 0.000 2.234 157 F HA -0.134 4.394 4.527 0.002 0.000 0.299 157 F C 2.731 178.417 175.800 -0.190 0.000 1.087 157 F CA 1.060 58.986 58.000 -0.123 0.000 1.340 157 F CB -1.829 37.008 39.000 -0.272 0.000 1.031 157 F HN 0.028 nan 8.300 nan 0.000 0.500 158 T N -0.523 113.923 114.554 -0.180 0.000 2.821 158 T HA -0.158 4.193 4.350 0.002 0.000 0.267 158 T C 2.018 176.739 174.700 0.035 0.000 1.046 158 T CA 1.115 63.158 62.100 -0.094 0.000 1.139 158 T CB -0.111 68.669 68.868 -0.145 0.000 0.871 158 T HN 0.154 nan 8.240 nan 0.000 0.454 159 Q N 0.666 120.478 119.800 0.020 0.000 2.119 159 Q HA 0.085 4.426 4.340 0.002 0.000 0.201 159 Q C 2.713 178.931 176.000 0.364 0.000 0.972 159 Q CA 1.397 57.234 55.803 0.058 0.000 0.847 159 Q CB -0.636 27.958 28.738 -0.240 0.000 0.903 159 Q HN 0.568 nan 8.270 nan 0.000 0.433 160 A N 1.294 124.398 122.820 0.474 0.000 1.877 160 A HA -0.154 4.167 4.320 0.002 0.000 0.216 160 A C 2.057 179.747 177.584 0.177 0.000 1.186 160 A CA 1.308 53.527 52.037 0.304 0.000 0.620 160 A CB -0.204 18.895 19.000 0.165 0.000 0.822 160 A HN 0.067 nan 8.150 nan 0.000 0.443 161 K N -0.044 120.463 120.400 0.178 0.000 2.211 161 K HA 0.064 4.385 4.320 0.002 0.000 0.203 161 K C 2.038 178.709 176.600 0.119 0.000 1.050 161 K CA 1.097 57.470 56.287 0.143 0.000 0.945 161 K CB -0.677 31.946 32.500 0.204 0.000 0.732 161 K HN 0.457 nan 8.250 nan 0.000 0.451 162 A N 0.956 123.851 122.820 0.126 0.000 2.067 162 A HA -0.103 4.218 4.320 0.002 0.000 0.219 162 A C 1.677 179.316 177.584 0.091 0.000 1.158 162 A CA 1.004 53.096 52.037 0.092 0.000 0.661 162 A CB -0.147 18.895 19.000 0.069 0.000 0.801 162 A HN 0.212 nan 8.150 nan 0.000 0.452 163 R N -1.066 119.505 120.500 0.118 0.000 2.507 163 R HA 0.254 4.595 4.340 0.002 0.000 0.298 163 R C -0.492 175.852 176.300 0.074 0.000 0.999 163 R CA -0.215 55.949 56.100 0.107 0.000 1.082 163 R CB 0.166 30.562 30.300 0.161 0.000 1.246 163 R HN 0.506 nan 8.270 nan 0.000 0.553 167 I N 4.544 125.098 120.570 -0.027 0.000 2.362 167 I HA 0.464 4.635 4.170 0.002 0.000 0.289 167 I C -0.625 175.453 176.117 -0.064 0.000 0.994 167 I CA -0.419 60.810 61.300 -0.119 0.000 1.158 167 I CB 1.480 39.277 38.000 -0.338 0.000 1.315 167 I HN 0.467 nan 8.210 nan 0.000 0.451 168 C N 5.222 124.531 119.300 0.015 0.000 2.493 168 C HA 0.940 5.401 4.460 0.002 0.000 0.326 168 C C 0.236 175.283 174.990 0.094 0.000 1.200 168 C CA -0.373 58.722 59.018 0.129 0.000 1.739 168 C CB 1.226 29.145 27.740 0.297 0.000 2.300 168 C HN 0.850 nan 8.230 nan 0.000 0.500 169 A N 2.030 124.923 122.820 0.121 0.000 2.488 169 A HA 0.706 5.027 4.320 0.002 0.000 0.298 169 A C -1.269 176.411 177.584 0.159 0.000 1.044 169 A CA -0.244 51.860 52.037 0.111 0.000 0.693 169 A CB 1.260 20.286 19.000 0.045 0.000 1.272 169 A HN 0.837 nan 8.150 nan 0.000 0.402 173 K N 1.896 122.337 120.400 0.070 0.000 2.368 173 K HA 0.403 4.724 4.320 0.002 0.000 0.282 173 K C -2.447 174.078 176.600 -0.125 0.000 1.035 173 K CA -1.225 55.056 56.287 -0.011 0.000 0.973 173 K CB 0.115 32.606 32.500 -0.016 0.000 0.957 173 K HN 0.338 nan 8.250 nan 0.000 0.474 174 P HA -0.061 nan 4.420 nan 0.000 0.263 174 P C -0.074 177.079 177.300 -0.246 0.000 1.175 174 P CA 0.381 63.105 63.100 -0.627 0.000 0.761 174 P CB 0.560 31.764 31.700 -0.827 0.000 0.794 175 R N 2.238 122.644 120.500 -0.157 0.000 2.189 175 R HA 0.169 4.510 4.340 0.002 0.000 0.203 175 R C 0.760 177.087 176.300 0.045 0.000 1.012 175 R CA 0.744 56.827 56.100 -0.027 0.000 1.015 175 R CB 0.010 30.273 30.300 -0.060 0.000 0.938 175 R HN 0.435 nan 8.270 nan 0.000 0.472 176 L N 1.628 122.855 121.223 0.006 0.000 3.168 176 L HA 0.277 4.618 4.340 0.002 0.000 0.277 176 L C -0.587 176.275 176.870 -0.013 0.000 1.308 176 L CA -0.358 54.507 54.840 0.042 0.000 0.976 176 L CB 0.349 42.467 42.059 0.098 0.000 1.383 176 L HN 0.194 nan 8.230 nan 0.000 0.572 177 N N 0.042 118.704 118.700 -0.063 0.000 2.741 177 N HA -0.182 4.559 4.740 0.002 0.000 0.250 177 N C 0.121 175.578 175.510 -0.088 0.000 1.115 177 N CA 0.803 53.808 53.050 -0.074 0.000 0.724 177 N CB -0.896 37.574 38.487 -0.029 0.000 1.090 177 N HN 0.534 nan 8.380 nan 0.000 0.558 178 E N 0.684 120.795 120.200 -0.150 0.000 2.422 178 E HA 0.285 4.636 4.350 0.002 0.000 0.260 178 E C 1.094 177.631 176.600 -0.106 0.000 1.108 178 E CA 0.308 56.654 56.400 -0.089 0.000 0.943 178 E CB 0.539 30.212 29.700 -0.045 0.000 0.961 178 E HN 0.380 nan 8.360 nan 0.000 0.443 179 T N -0.983 113.598 114.554 0.045 0.000 2.926 179 T HA 0.276 4.627 4.350 0.002 0.000 0.289 179 T C 0.603 175.421 174.700 0.198 0.000 1.054 179 T CA -0.933 61.209 62.100 0.070 0.000 1.015 179 T CB 0.820 69.716 68.868 0.046 0.000 1.167 179 T HN 0.308 nan 8.240 nan 0.000 0.526 180 L N 0.657 121.982 121.223 0.169 0.000 2.131 180 L HA 0.022 4.363 4.340 0.002 0.000 0.210 180 L C 1.839 178.801 176.870 0.155 0.000 1.092 180 L CA 1.930 56.892 54.840 0.204 0.000 0.759 180 L CB -1.074 41.050 42.059 0.109 0.000 0.903 180 L HN 0.722 nan 8.230 nan 0.000 0.435 181 D N -0.327 120.135 120.400 0.105 0.000 2.218 181 D HA -0.167 4.474 4.640 0.002 0.000 0.204 181 D C 1.480 177.838 176.300 0.098 0.000 0.976 181 D CA 1.248 55.298 54.000 0.083 0.000 0.853 181 D CB -0.104 40.729 40.800 0.055 0.000 0.939 181 D HN 0.469 nan 8.370 nan 0.000 0.481 182 D N 0.531 121.005 120.400 0.124 0.000 2.269 182 D HA -0.042 4.599 4.640 0.002 0.000 0.208 182 D C 2.037 178.413 176.300 0.126 0.000 0.963 182 D CA 0.451 54.526 54.000 0.125 0.000 0.864 182 D CB 0.265 41.155 40.800 0.150 0.000 0.936 182 D HN 0.468 nan 8.370 nan 0.000 0.505 183 I N -2.896 117.761 120.570 0.145 0.000 4.154 183 I HA 0.201 4.372 4.170 0.002 0.000 0.334 183 I C 1.970 178.163 176.117 0.127 0.000 1.371 183 I CA -0.422 60.940 61.300 0.103 0.000 1.110 183 I CB 0.010 38.026 38.000 0.026 0.000 1.085 183 I HN -0.201 nan 8.210 nan 0.000 0.398 184 c N 1.815 120.493 118.600 0.130 0.000 2.398 184 c HA -0.217 4.354 4.570 0.002 0.000 0.276 184 c C 2.744 176.912 174.090 0.130 0.000 1.222 184 c CA 2.343 58.746 56.329 0.124 0.000 1.746 184 c CB -0.752 41.814 42.510 0.093 0.000 2.039 184 c HN 0.767 nan 8.230 nan 0.000 0.470 185 E N -0.024 120.256 120.200 0.134 0.000 2.077 185 E HA -0.152 4.199 4.350 0.002 0.000 0.193 185 E C 2.219 179.000 176.600 0.301 0.000 0.989 185 E CA 1.325 57.829 56.400 0.172 0.000 0.800 185 E CB -0.240 29.553 29.700 0.155 0.000 0.746 185 E HN 0.678 nan 8.360 nan 0.000 0.452 186 A N 1.061 124.048 122.820 0.278 0.000 1.933 186 A HA -0.125 4.196 4.320 0.002 0.000 0.218 186 A C 2.189 180.084 177.584 0.518 0.000 1.175 186 A CA 0.947 53.225 52.037 0.401 0.000 0.628 186 A CB -0.618 18.490 19.000 0.180 0.000 0.814 186 A HN 0.330 nan 8.150 nan 0.000 0.444 187 L N 0.741 122.141 121.223 0.295 0.000 2.265 187 L HA -0.166 4.175 4.340 0.002 0.000 0.215 187 L C 2.782 179.719 176.870 0.112 0.000 1.117 187 L CA 1.331 56.282 54.840 0.184 0.000 0.782 187 L CB -0.418 41.727 42.059 0.143 0.000 0.914 187 L HN 0.634 nan 8.230 nan 0.000 0.441 188 S N -1.340 114.430 115.700 0.117 0.000 2.507 188 S HA -0.171 4.300 4.470 0.002 0.000 0.235 188 S C 1.526 176.019 174.600 -0.178 0.000 0.988 188 S CA 0.713 58.877 58.200 -0.061 0.000 0.944 188 S CB -0.467 62.649 63.200 -0.140 0.000 0.762 188 S HN 0.494 nan 8.310 nan 0.000 0.526 189 Y N 0.994 121.281 120.300 -0.021 0.000 2.478 189 Y HA 0.404 4.955 4.550 0.002 0.000 0.261 189 Y C 0.805 176.535 175.900 -0.284 0.000 1.127 189 Y CA -0.493 57.551 58.100 -0.093 0.000 1.288 189 Y CB 0.248 38.723 38.460 0.025 0.000 1.084 189 Y HN 0.086 nan 8.280 nan 0.000 0.530 190 V N 1.953 121.756 119.914 -0.184 0.000 2.555 190 V HA -0.048 4.073 4.120 0.002 0.000 0.286 190 V C 0.477 176.409 176.094 -0.270 0.000 1.044 190 V CA 0.012 62.125 62.300 -0.311 0.000 1.026 190 V CB 1.093 32.751 31.823 -0.275 0.000 0.981 190 V HN 0.314 nan 8.190 nan 0.000 0.480 191 D N 2.423 122.651 120.400 -0.287 0.000 2.201 191 D HA 0.038 4.679 4.640 0.002 0.000 0.209 191 D C -0.268 175.578 176.300 -0.758 0.000 0.961 191 D CA 1.467 55.203 54.000 -0.440 0.000 0.861 191 D CB 0.347 40.962 40.800 -0.308 0.000 0.997 191 D HN 0.587 nan 8.370 nan 0.000 0.486 192 Y N 0.282 120.437 120.300 -0.241 0.000 2.329 192 Y HA 0.382 4.933 4.550 0.001 0.000 0.328 192 Y C -0.608 174.919 175.900 -0.621 0.000 0.992 192 Y CA -0.962 56.868 58.100 -0.448 0.000 1.151 192 Y CB 1.772 39.980 38.460 -0.421 0.000 1.150 192 Y HN -0.231 nan 8.280 nan 0.000 0.450 193 L N 4.281 125.163 121.223 -0.569 0.000 2.307 193 L HA 0.612 4.953 4.340 0.002 0.000 0.284 193 L C -1.521 174.941 176.870 -0.678 0.000 1.023 193 L CA -0.542 53.994 54.840 -0.507 0.000 0.810 193 L CB 0.410 42.219 42.059 -0.417 0.000 1.231 193 L HN 0.458 nan 8.230 nan 0.000 0.423 194 F N 6.337 126.200 119.950 -0.146 0.000 2.366 194 F HA 0.429 4.957 4.527 0.002 0.000 0.328 194 F C -1.993 173.734 175.800 -0.123 0.000 1.180 194 F CA -1.806 56.128 58.000 -0.111 0.000 1.232 194 F CB 0.081 39.056 39.000 -0.041 0.000 1.513 194 F HN 0.366 nan 8.300 nan 0.000 0.540 195 P HA 0.111 nan 4.420 nan 0.000 0.276 195 P C -0.571 176.757 177.300 0.048 0.000 1.244 195 P CA -0.391 62.677 63.100 -0.055 0.000 0.801 195 P CB 1.184 32.753 31.700 -0.217 0.000 1.006 196 N N 1.133 119.876 118.700 0.072 0.000 2.479 196 N HA 0.060 4.801 4.740 0.002 0.000 0.285 196 N C 0.867 176.465 175.510 0.147 0.000 1.075 196 N CA -0.337 52.766 53.050 0.089 0.000 0.967 196 N CB 0.663 39.190 38.487 0.067 0.000 1.137 196 N HN 0.372 nan 8.380 nan 0.000 0.472 197 F N 3.343 123.301 119.950 0.012 0.000 2.027 197 F HA -0.307 4.222 4.527 0.002 0.000 0.297 197 F C 2.147 177.965 175.800 0.029 0.000 1.129 197 F CA 2.184 60.196 58.000 0.018 0.000 1.195 197 F CB -0.589 38.404 39.000 -0.011 0.000 0.960 197 F HN 0.622 nan 8.300 nan 0.000 0.485 198 A N 0.154 122.900 122.820 -0.125 0.000 1.859 198 A HA -0.277 4.044 4.320 0.002 0.000 0.217 198 A C 2.142 179.629 177.584 -0.162 0.000 1.198 198 A CA 2.221 54.124 52.037 -0.223 0.000 0.629 198 A CB -1.197 17.775 19.000 -0.047 0.000 0.830 198 A HN 0.629 nan 8.150 nan 0.000 0.446 199 E N -0.364 119.810 120.200 -0.044 0.000 2.077 199 E HA -0.119 4.232 4.350 0.002 0.000 0.193 199 E C 2.277 178.893 176.600 0.028 0.000 0.989 199 E CA 0.948 57.349 56.400 0.002 0.000 0.800 199 E CB -0.354 29.377 29.700 0.053 0.000 0.746 199 E HN 0.626 nan 8.360 nan 0.000 0.452 200 A N 1.723 124.582 122.820 0.065 0.000 2.024 200 A HA -0.237 4.084 4.320 0.002 0.000 0.220 200 A C 2.061 179.654 177.584 0.015 0.000 1.164 200 A CA 1.549 53.695 52.037 0.181 0.000 0.643 200 A CB -0.378 18.803 19.000 0.302 0.000 0.806 200 A HN 0.072 nan 8.150 nan 0.000 0.451 201 K N -0.400 119.908 120.400 -0.154 0.000 2.057 201 K HA -0.028 4.293 4.320 0.002 0.000 0.206 201 K C 1.866 178.387 176.600 -0.130 0.000 1.050 201 K CA 1.196 57.349 56.287 -0.223 0.000 0.935 201 K CB -0.262 31.993 32.500 -0.408 0.000 0.715 201 K HN 0.495 nan 8.250 nan 0.000 0.439 202 L N 0.657 121.821 121.223 -0.098 0.000 2.005 202 L HA -0.199 4.142 4.340 0.002 0.000 0.207 202 L C 2.478 179.321 176.870 -0.045 0.000 1.072 202 L CA 0.644 55.444 54.840 -0.066 0.000 0.744 202 L CB -0.436 41.592 42.059 -0.053 0.000 0.895 202 L HN 0.234 nan 8.230 nan 0.000 0.433 203 L N -0.205 121.012 121.223 -0.009 0.000 2.042 203 L HA -0.209 4.132 4.340 0.002 0.000 0.210 203 L C 2.673 179.522 176.870 -0.035 0.000 1.076 203 L CA 2.522 57.372 54.840 0.017 0.000 0.749 203 L CB -0.587 41.557 42.059 0.142 0.000 0.893 203 L HN 0.471 nan 8.230 nan 0.000 0.432 204 T N -4.415 110.086 114.554 -0.088 0.000 3.009 204 T HA 0.235 4.586 4.350 0.002 0.000 0.258 204 T C 1.495 176.130 174.700 -0.108 0.000 1.063 204 T CA 0.457 62.464 62.100 -0.156 0.000 1.139 204 T CB -0.304 68.408 68.868 -0.259 0.000 0.890 204 T HN 0.623 nan 8.240 nan 0.000 0.471 205 G N 1.765 110.510 108.800 -0.092 0.000 2.160 205 G HA2 -0.165 3.796 3.960 0.002 0.000 0.244 205 G HA3 -0.165 3.796 3.960 0.002 0.000 0.244 205 G C -0.194 174.660 174.900 -0.077 0.000 1.022 205 G CA 0.027 45.081 45.100 -0.077 0.000 0.741 205 G HN 0.640 nan 8.290 nan 0.000 0.508 206 K N -0.312 120.034 120.400 -0.091 0.000 2.267 206 K HA 0.588 4.909 4.320 0.002 0.000 0.246 206 K C 0.734 177.289 176.600 -0.076 0.000 0.954 206 K CA -0.933 55.310 56.287 -0.074 0.000 0.824 206 K CB 1.619 34.075 32.500 -0.074 0.000 1.167 206 K HN 0.058 nan 8.250 nan 0.000 0.431 207 E N 0.428 120.603 120.200 -0.043 0.000 2.201 207 E HA -0.017 4.334 4.350 0.002 0.000 0.193 207 E C 0.436 177.067 176.600 0.051 0.000 0.957 207 E CA 0.700 57.089 56.400 -0.019 0.000 0.858 207 E CB 0.158 29.856 29.700 -0.004 0.000 0.816 207 E HN 0.751 nan 8.360 nan 0.000 0.475 208 T N -1.019 113.552 114.554 0.027 0.000 2.856 208 T HA 0.330 4.681 4.350 0.002 0.000 0.292 208 T C 1.540 176.235 174.700 -0.007 0.000 0.980 208 T CA -0.480 61.631 62.100 0.018 0.000 1.091 208 T CB 1.273 70.130 68.868 -0.019 0.000 0.936 208 T HN -0.108 nan 8.240 nan 0.000 0.503 209 L N 1.413 122.569 121.223 -0.111 0.000 2.089 209 L HA -0.143 4.198 4.340 0.002 0.000 0.213 209 L C 2.529 179.212 176.870 -0.312 0.000 1.079 209 L CA 1.902 56.534 54.840 -0.346 0.000 0.758 209 L CB -0.593 40.793 42.059 -1.122 0.000 0.891 209 L HN 0.824 nan 8.230 nan 0.000 0.433 210 D N -0.057 120.210 120.400 -0.222 0.000 2.078 210 D HA -0.238 4.403 4.640 0.002 0.000 0.193 210 D C 2.125 178.474 176.300 0.082 0.000 0.990 210 D CA 1.687 55.727 54.000 0.068 0.000 0.827 210 D CB 0.034 40.887 40.800 0.089 0.000 0.975 210 D HN 0.494 nan 8.370 nan 0.000 0.451 211 E N 0.232 120.447 120.200 0.024 0.000 2.152 211 E HA -0.128 4.223 4.350 0.002 0.000 0.192 211 E C 2.482 179.068 176.600 -0.023 0.000 0.983 211 E CA 0.586 56.989 56.400 0.005 0.000 0.818 211 E CB -0.440 29.252 29.700 -0.013 0.000 0.758 211 E HN 0.403 nan 8.360 nan 0.000 0.467 212 I N 1.887 122.450 120.570 -0.012 0.000 2.226 212 I HA -0.256 3.915 4.170 0.002 0.000 0.245 212 I C 2.704 178.821 176.117 0.000 0.000 1.100 212 I CA 1.259 62.536 61.300 -0.038 0.000 1.374 212 I CB -0.355 37.678 38.000 0.054 0.000 1.057 212 I HN 0.199 nan 8.210 nan 0.000 0.413 213 A N 0.172 123.087 122.820 0.160 0.000 1.930 213 A HA -0.200 4.122 4.320 0.002 0.000 0.217 213 A C 1.961 179.649 177.584 0.174 0.000 1.175 213 A CA 1.608 53.821 52.037 0.294 0.000 0.627 213 A CB -0.475 18.758 19.000 0.388 0.000 0.815 213 A HN 0.341 nan 8.150 nan 0.000 0.443 214 D N -0.229 120.221 120.400 0.083 0.000 2.144 214 D HA -0.139 4.502 4.640 0.002 0.000 0.199 214 D C 1.997 178.283 176.300 -0.024 0.000 0.984 214 D CA 1.411 55.434 54.000 0.037 0.000 0.834 214 D CB -0.445 40.368 40.800 0.022 0.000 0.955 214 D HN 0.451 nan 8.370 nan 0.000 0.465 215 C N 0.411 119.629 119.300 -0.137 0.000 2.413 215 C HA -0.161 4.300 4.460 0.002 0.000 0.276 215 C C 2.567 177.433 174.990 -0.205 0.000 1.248 215 C CA 0.304 59.177 59.018 -0.243 0.000 1.742 215 C CB -1.315 26.161 27.740 -0.440 0.000 2.017 215 C HN 0.229 nan 8.230 nan 0.000 0.481 216 F N 0.796 120.762 119.950 0.025 0.000 2.234 216 F HA 0.042 4.570 4.527 0.001 0.000 0.296 216 F C 2.194 177.991 175.800 -0.005 0.000 1.089 216 F CA 0.952 58.960 58.000 0.013 0.000 1.343 216 F CB -1.039 37.967 39.000 0.010 0.000 1.040 216 F HN 0.109 nan 8.300 nan 0.000 0.498 217 L N -0.293 121.029 121.223 0.166 0.000 2.131 217 L HA -0.182 4.159 4.340 0.002 0.000 0.210 217 L C 2.638 179.532 176.870 0.040 0.000 1.092 217 L CA 1.021 55.906 54.840 0.076 0.000 0.759 217 L CB -1.020 41.073 42.059 0.057 0.000 0.903 217 L HN 0.149 nan 8.230 nan 0.000 0.435 218 A N -1.105 121.735 122.820 0.033 0.000 2.019 218 A HA -0.204 4.117 4.320 0.002 0.000 0.219 218 A C 2.206 179.802 177.584 0.019 0.000 1.164 218 A CA 1.626 53.671 52.037 0.012 0.000 0.644 218 A CB -0.898 18.098 19.000 -0.007 0.000 0.805 218 A HN 0.563 nan 8.150 nan 0.000 0.449 219 c N -1.857 116.771 118.600 0.046 0.000 2.618 219 c HA 0.461 5.032 4.570 0.002 0.000 0.264 219 c C 1.996 176.101 174.090 0.025 0.000 1.334 219 c CA 0.406 56.766 56.329 0.052 0.000 1.731 219 c CB -0.742 41.829 42.510 0.101 0.000 1.852 219 c HN 1.003 nan 8.230 nan 0.000 0.566 220 G N -0.232 108.572 108.800 0.006 0.000 2.192 220 G HA2 -0.187 3.774 3.960 0.002 0.000 0.193 220 G HA3 -0.187 3.774 3.960 0.002 0.000 0.193 220 G C 0.078 174.943 174.900 -0.059 0.000 0.999 220 G CA 0.036 45.112 45.100 -0.040 0.000 0.659 220 G HN 0.268 nan 8.290 nan 0.000 0.503 221 V N 2.688 122.585 119.914 -0.028 0.000 2.540 221 V HA 0.132 4.253 4.120 0.002 0.000 0.297 221 V C 1.818 177.843 176.094 -0.116 0.000 1.024 221 V CA 0.601 62.854 62.300 -0.078 0.000 1.105 221 V CB 1.177 32.974 31.823 -0.044 0.000 0.938 221 V HN 0.273 nan 8.190 nan 0.000 0.482 222 K N 2.856 123.139 120.400 -0.194 0.000 2.001 222 K HA 0.002 4.323 4.320 0.002 0.000 0.208 222 K C 0.713 177.177 176.600 -0.227 0.000 1.048 222 K CA 1.089 57.245 56.287 -0.219 0.000 0.932 222 K CB -0.112 32.209 32.500 -0.299 0.000 0.715 222 K HN 0.708 nan 8.250 nan 0.000 0.437 223 T N 1.356 115.717 114.554 -0.322 0.000 2.879 223 T HA 0.374 4.725 4.350 0.002 0.000 0.290 223 T C -0.784 173.779 174.700 -0.228 0.000 0.993 223 T CA -0.652 61.298 62.100 -0.250 0.000 0.975 223 T CB 2.550 71.247 68.868 -0.285 0.000 0.981 223 T HN -0.274 nan 8.240 nan 0.000 0.439 224 V N 3.908 123.747 119.914 -0.126 0.000 2.350 224 V HA 0.417 4.538 4.120 0.002 0.000 0.276 224 V C -0.176 175.864 176.094 -0.090 0.000 1.028 224 V CA -0.637 61.597 62.300 -0.110 0.000 0.860 224 V CB 1.448 33.309 31.823 0.064 0.000 0.990 224 V HN 0.736 nan 8.190 nan 0.000 0.453 225 V N 7.148 126.939 119.914 -0.205 0.000 2.304 225 V HA 0.454 4.575 4.120 0.002 0.000 0.278 225 V C -0.090 176.024 176.094 0.034 0.000 1.018 225 V CA -0.286 61.961 62.300 -0.088 0.000 0.814 225 V CB 1.171 32.822 31.823 -0.287 0.000 1.021 225 V HN 0.675 nan 8.190 nan 0.000 0.440 226 I N 4.387 125.036 120.570 0.133 0.000 2.312 226 I HA 0.389 4.560 4.170 0.002 0.000 0.290 226 I C 0.397 176.523 176.117 0.016 0.000 1.008 226 I CA -0.429 60.944 61.300 0.123 0.000 1.226 226 I CB 1.218 39.366 38.000 0.246 0.000 1.371 226 I HN 0.473 nan 8.210 nan 0.000 0.468 227 K N 5.012 125.311 120.400 -0.168 0.000 2.339 227 K HA 0.233 4.554 4.320 0.002 0.000 0.286 227 K C 0.050 176.564 176.600 -0.143 0.000 1.050 227 K CA -0.205 55.873 56.287 -0.350 0.000 0.956 227 K CB 0.676 32.782 32.500 -0.658 0.000 0.990 227 K HN 0.715 nan 8.250 nan 0.000 0.475 228 T N 1.088 115.567 114.554 -0.124 0.000 3.390 228 T HA 0.243 4.594 4.350 0.002 0.000 0.315 228 T C 0.587 175.232 174.700 -0.092 0.000 1.799 228 T CA -0.717 61.295 62.100 -0.148 0.000 1.553 228 T CB 0.576 69.310 68.868 -0.223 0.000 1.002 228 T HN 0.635 nan 8.240 nan 0.000 0.715 229 G N 1.960 110.726 108.800 -0.055 0.000 2.888 229 G HA2 0.031 3.993 3.960 0.002 0.000 0.311 229 G HA3 0.031 3.993 3.960 0.002 0.000 0.311 229 G C 0.451 175.341 174.900 -0.016 0.000 0.310 229 G CA 0.918 46.005 45.100 -0.021 0.000 1.201 229 G HN 0.938 nan 8.290 nan 0.000 0.194 230 K N 0.542 120.938 120.400 -0.006 0.000 2.344 230 K HA -0.152 4.169 4.320 0.002 0.000 0.440 230 K C 0.340 176.942 176.600 0.003 0.000 0.349 230 K CA 0.918 57.205 56.287 -0.001 0.000 1.961 230 K CB -1.085 31.408 32.500 -0.011 0.000 0.504 230 K HN 0.578 nan 8.250 nan 0.000 0.335 231 D N 0.807 121.202 120.400 -0.008 0.000 2.738 231 D HA 0.401 5.042 4.640 0.002 0.000 0.246 231 D C 0.875 177.198 176.300 0.037 0.000 1.270 231 D CA 0.336 54.341 54.000 0.009 0.000 0.833 231 D CB 0.901 41.697 40.800 -0.008 0.000 1.040 231 D HN 0.693 nan 8.370 nan 0.000 0.487 232 G N 0.358 109.190 108.800 0.053 0.000 2.595 232 G HA2 -0.321 3.640 3.960 0.002 0.000 0.297 232 G HA3 -0.321 3.640 3.960 0.002 0.000 0.297 232 G C 0.234 175.201 174.900 0.111 0.000 1.181 232 G CA 0.700 45.865 45.100 0.108 0.000 0.963 232 G HN 1.195 nan 8.290 nan 0.000 0.541 233 C N -2.436 116.962 119.300 0.163 0.000 3.173 233 C HA 0.808 5.269 4.460 0.002 0.000 0.310 233 C C -0.643 174.475 174.990 0.213 0.000 1.306 233 C CA -0.909 58.212 59.018 0.173 0.000 1.426 233 C CB 1.190 29.120 27.740 0.317 0.000 1.800 233 C HN 1.543 nan 8.230 nan 0.000 0.470 234 F N 2.321 122.297 119.950 0.043 0.000 2.426 234 F HA 0.822 5.349 4.527 0.001 0.000 0.348 234 F C -0.599 175.244 175.800 0.072 0.000 1.124 234 F CA -1.040 56.985 58.000 0.042 0.000 1.008 234 F CB 0.680 39.680 39.000 -0.001 0.000 1.139 234 F HN 0.638 nan 8.300 nan 0.000 0.452 235 I N 5.863 126.209 120.570 -0.374 0.000 2.404 235 I HA 0.411 4.583 4.170 0.002 0.000 0.293 235 I C -0.891 174.956 176.117 -0.450 0.000 0.992 235 I CA -0.977 60.182 61.300 -0.235 0.000 1.149 235 I CB 1.991 39.971 38.000 -0.034 0.000 1.315 235 I HN 0.461 nan 8.210 nan 0.000 0.446 236 K N 6.033 126.300 120.400 -0.221 0.000 2.464 236 K HA 0.670 4.991 4.320 0.002 0.000 0.253 236 K C -1.286 175.283 176.600 -0.052 0.000 0.933 236 K CA -0.568 55.628 56.287 -0.152 0.000 0.801 236 K CB 2.050 34.560 32.500 0.018 0.000 1.271 236 K HN 0.539 nan 8.250 nan 0.000 0.430 237 R N 0.870 121.343 120.500 -0.045 0.000 2.885 237 R HA 0.438 4.779 4.340 0.002 0.000 0.260 237 R C 0.769 177.059 176.300 -0.017 0.000 1.107 237 R CA -0.692 55.386 56.100 -0.036 0.000 0.978 237 R CB 1.288 31.561 30.300 -0.045 0.000 1.227 237 R HN 0.755 nan 8.270 nan 0.000 0.473 238 G N -0.070 108.718 108.800 -0.020 0.000 2.534 238 G HA2 -0.136 3.825 3.960 0.002 0.000 0.217 238 G HA3 -0.136 3.825 3.960 0.002 0.000 0.217 238 G C 0.010 174.904 174.900 -0.009 0.000 1.128 238 G CA 0.731 45.825 45.100 -0.009 0.000 0.784 238 G HN 0.657 nan 8.290 nan 0.000 0.542 244 V N 3.424 123.392 119.914 0.090 0.000 2.325 244 V HA 0.279 4.400 4.120 0.002 0.000 0.280 244 V C -2.355 173.802 176.094 0.104 0.000 1.016 244 V CA -1.992 60.365 62.300 0.095 0.000 0.818 244 V CB 1.155 33.050 31.823 0.121 0.000 1.019 244 V HN 0.566 nan 8.190 nan 0.000 0.434 245 P HA 0.105 nan 4.420 nan 0.000 0.266 245 P C 0.134 177.479 177.300 0.075 0.000 1.193 245 P CA 0.383 63.523 63.100 0.067 0.000 0.770 245 P CB 0.568 32.297 31.700 0.047 0.000 0.836 246 A N 3.193 126.056 122.820 0.070 0.000 2.406 246 A HA 0.153 4.474 4.320 0.002 0.000 0.243 246 A C 0.170 177.785 177.584 0.051 0.000 1.082 246 A CA -0.345 51.737 52.037 0.075 0.000 0.786 246 A CB 0.008 19.045 19.000 0.062 0.000 1.029 246 A HN 0.454 nan 8.150 nan 0.000 0.495 247 V N 1.641 121.581 119.914 0.044 0.000 2.529 247 V HA 0.423 4.544 4.120 0.002 0.000 0.292 247 V C 0.912 177.019 176.094 0.021 0.000 1.028 247 V CA 0.227 62.542 62.300 0.025 0.000 1.074 247 V CB 0.093 31.922 31.823 0.010 0.000 0.958 247 V HN 1.275 nan 8.190 nan 0.000 0.481 248 A N 5.221 128.051 122.820 0.018 0.000 2.351 248 A HA 0.627 4.948 4.320 0.002 0.000 0.257 248 A C 1.345 178.935 177.584 0.010 0.000 1.087 248 A CA 0.293 52.339 52.037 0.015 0.000 0.798 248 A CB 0.422 19.430 19.000 0.014 0.000 1.033 248 A HN 2.468 nan 8.150 nan 0.000 0.488 249 G N -0.114 108.692 108.800 0.010 0.000 2.131 249 G HA2 -0.132 3.829 3.960 0.002 0.000 0.223 249 G HA3 -0.132 3.829 3.960 0.002 0.000 0.223 249 G C -0.193 174.712 174.900 0.007 0.000 0.990 249 G CA 0.122 45.226 45.100 0.007 0.000 0.671 249 G HN 0.669 nan 8.290 nan 0.000 0.521 250 I N 1.504 122.080 120.570 0.009 0.000 2.355 250 I HA 0.371 4.542 4.170 0.002 0.000 0.288 250 I C 1.401 177.525 176.117 0.011 0.000 0.999 250 I CA 0.405 61.711 61.300 0.009 0.000 1.163 250 I CB 0.853 38.859 38.000 0.011 0.000 1.316 250 I HN 0.159 nan 8.210 nan 0.000 0.454 251 T N 4.773 119.333 114.554 0.010 0.000 2.755 251 T HA 0.227 4.578 4.350 0.002 0.000 0.251 251 T C 0.714 175.422 174.700 0.013 0.000 1.044 251 T CA 1.105 63.211 62.100 0.011 0.000 1.154 251 T CB 0.082 68.956 68.868 0.010 0.000 0.866 251 T HN 1.097 nan 8.240 nan 0.000 0.416 252 A N 0.070 122.897 122.820 0.013 0.000 2.389 252 A HA -0.043 4.278 4.320 0.002 0.000 0.668 252 A C 1.056 178.650 177.584 0.016 0.000 0.196 252 A CA 0.568 52.614 52.037 0.015 0.000 0.132 252 A CB -2.228 16.783 19.000 0.018 0.000 3.869 252 A HN 0.960 nan 8.150 nan 0.000 0.534 253 I N -0.632 119.947 120.570 0.016 0.000 2.252 253 I HA 0.135 4.306 4.170 0.002 0.000 0.245 253 I C 0.775 176.904 176.117 0.020 0.000 1.102 253 I CA 1.724 63.034 61.300 0.017 0.000 1.385 253 I CB -0.132 37.878 38.000 0.017 0.000 1.064 253 I HN 0.823 nan 8.210 nan 0.000 0.414 254 D N 0.251 120.665 120.400 0.023 0.000 2.732 254 D HA 0.265 4.906 4.640 0.002 0.000 0.229 254 D C 0.420 176.738 176.300 0.031 0.000 1.152 254 D CA -0.151 53.866 54.000 0.028 0.000 0.854 254 D CB 1.919 42.738 40.800 0.031 0.000 1.590 254 D HN 0.169 nan 8.370 nan 0.000 0.468 255 T N 0.090 114.665 114.554 0.035 0.000 3.044 255 T HA 0.184 4.535 4.350 0.002 0.000 0.260 255 T C 1.249 175.975 174.700 0.043 0.000 1.019 255 T CA -0.391 61.732 62.100 0.037 0.000 0.921 255 T CB -0.630 68.260 68.868 0.036 0.000 1.053 255 T HN 0.515 nan 8.240 nan 0.000 0.533 256 I N 0.084 120.683 120.570 0.048 0.000 2.668 256 I HA 0.549 4.720 4.170 0.002 0.000 0.285 256 I C 1.398 177.541 176.117 0.043 0.000 1.168 256 I CA 0.690 62.023 61.300 0.055 0.000 1.424 256 I CB -0.147 37.895 38.000 0.070 0.000 1.377 256 I HN 0.362 nan 8.210 nan 0.000 0.560 257 G N 3.394 112.217 108.800 0.038 0.000 2.195 257 G HA2 -0.308 3.653 3.960 0.002 0.000 0.246 257 G HA3 -0.308 3.653 3.960 0.002 0.000 0.246 257 G C 0.951 175.873 174.900 0.037 0.000 0.984 257 G CA 0.549 45.668 45.100 0.031 0.000 0.633 257 G HN 1.247 nan 8.290 nan 0.000 0.525 258 A N 0.454 123.299 122.820 0.042 0.000 1.873 258 A HA 0.211 4.532 4.320 0.002 0.000 0.218 258 A C 2.877 180.505 177.584 0.074 0.000 1.193 258 A CA 2.653 54.723 52.037 0.054 0.000 0.629 258 A CB -1.184 17.843 19.000 0.044 0.000 0.826 258 A HN 1.691 nan 8.150 nan 0.000 0.447 259 G N -0.492 108.335 108.800 0.045 0.000 2.422 259 G HA2 -0.235 3.726 3.960 0.002 0.000 0.218 259 G HA3 -0.235 3.726 3.960 0.002 0.000 0.218 259 G C 1.149 176.082 174.900 0.055 0.000 1.146 259 G CA 1.223 46.347 45.100 0.039 0.000 0.769 259 G HN 0.492 nan 8.290 nan 0.000 0.547 260 D N 0.730 121.147 120.400 0.030 0.000 2.117 260 D HA -0.082 4.559 4.640 0.002 0.000 0.198 260 D C 2.296 178.599 176.300 0.006 0.000 0.982 260 D CA 0.624 54.627 54.000 0.004 0.000 0.828 260 D CB -0.288 40.514 40.800 0.004 0.000 0.967 260 D HN 0.270 nan 8.370 nan 0.000 0.464 261 N N 0.052 118.773 118.700 0.034 0.000 2.244 261 N HA -0.119 4.622 4.740 0.002 0.000 0.183 261 N C 1.825 177.351 175.510 0.026 0.000 1.016 261 N CA 0.288 53.351 53.050 0.022 0.000 0.866 261 N CB -0.191 38.311 38.487 0.024 0.000 0.980 261 N HN 0.145 nan 8.380 nan 0.000 0.430 262 F N 2.292 122.199 119.950 -0.071 0.000 2.075 262 F HA -0.166 4.362 4.527 0.001 0.000 0.297 262 F C 2.431 178.141 175.800 -0.150 0.000 1.113 262 F CA 1.596 59.557 58.000 -0.066 0.000 1.218 262 F CB -0.326 38.646 39.000 -0.047 0.000 0.984 262 F HN -0.033 nan 8.300 nan 0.000 0.472 263 A N -0.577 122.178 122.820 -0.108 0.000 1.933 263 A HA -0.167 4.154 4.320 0.002 0.000 0.218 263 A C 2.308 179.700 177.584 -0.319 0.000 1.175 263 A CA 2.024 53.727 52.037 -0.557 0.000 0.628 263 A CB -1.238 17.407 19.000 -0.593 0.000 0.814 263 A HN 0.464 nan 8.150 nan 0.000 0.444 264 S N -0.415 115.192 115.700 -0.155 0.000 2.368 264 S HA -0.058 4.413 4.470 0.002 0.000 0.225 264 S C 2.057 176.638 174.600 -0.032 0.000 1.030 264 S CA 1.130 59.286 58.200 -0.074 0.000 0.999 264 S CB -0.620 62.564 63.200 -0.027 0.000 0.844 264 S HN 0.767 nan 8.310 nan 0.000 0.459 265 G N 0.269 109.045 108.800 -0.041 0.000 2.408 265 G HA2 -0.157 3.804 3.960 0.002 0.000 0.217 265 G HA3 -0.157 3.804 3.960 0.002 0.000 0.217 265 G C 1.224 176.177 174.900 0.087 0.000 1.150 265 G CA 0.319 45.475 45.100 0.094 0.000 0.776 265 G HN 0.480 nan 8.290 nan 0.000 0.542 266 F N 1.112 120.903 119.950 -0.264 0.000 2.134 266 F HA 0.021 4.549 4.527 0.001 0.000 0.299 266 F C 2.513 178.189 175.800 -0.207 0.000 1.097 266 F CA 1.177 59.028 58.000 -0.249 0.000 1.264 266 F CB -0.004 38.830 39.000 -0.277 0.000 1.001 266 F HN 0.061 nan 8.300 nan 0.000 0.479 267 I N -0.191 120.401 120.570 0.036 0.000 2.226 267 I HA -0.314 3.857 4.170 0.002 0.000 0.245 267 I C 2.654 178.627 176.117 -0.241 0.000 1.100 267 I CA 1.124 62.386 61.300 -0.063 0.000 1.374 267 I CB -0.862 37.101 38.000 -0.062 0.000 1.057 267 I HN 0.203 nan 8.210 nan 0.000 0.413 268 A N 0.802 123.483 122.820 -0.232 0.000 1.908 268 A HA -0.194 4.127 4.320 0.002 0.000 0.218 268 A C 2.544 179.852 177.584 -0.460 0.000 1.181 268 A CA 1.953 53.755 52.037 -0.391 0.000 0.627 268 A CB -0.820 18.158 19.000 -0.038 0.000 0.818 268 A HN 0.441 nan 8.150 nan 0.000 0.445 269 A N -0.328 122.221 122.820 -0.452 0.000 1.902 269 A HA -0.034 4.287 4.320 0.002 0.000 0.217 269 A C 2.186 179.514 177.584 -0.426 0.000 1.181 269 A CA 1.458 53.172 52.037 -0.537 0.000 0.623 269 A CB -0.617 18.055 19.000 -0.546 0.000 0.818 269 A HN 0.472 nan 8.150 nan 0.000 0.443 270 L N -0.604 120.371 121.223 -0.413 0.000 2.012 270 L HA -0.218 4.123 4.340 0.002 0.000 0.210 270 L C 2.561 179.289 176.870 -0.236 0.000 1.073 270 L CA 1.351 55.999 54.840 -0.320 0.000 0.748 270 L CB -0.556 41.336 42.059 -0.279 0.000 0.891 270 L HN 0.390 nan 8.230 nan 0.000 0.431 271 L N -0.603 120.452 121.223 -0.281 0.000 2.131 271 L HA -0.212 4.129 4.340 0.002 0.000 0.210 271 L C 2.024 178.811 176.870 -0.137 0.000 1.092 271 L CA 1.165 55.865 54.840 -0.232 0.000 0.759 271 L CB -0.414 41.389 42.059 -0.427 0.000 0.903 271 L HN 0.307 nan 8.230 nan 0.000 0.435 272 E N -0.245 119.855 120.200 -0.166 0.000 2.502 272 E HA 0.053 4.404 4.350 0.002 0.000 0.194 272 E C 1.242 177.769 176.600 -0.122 0.000 1.062 272 E CA 0.433 56.769 56.400 -0.107 0.000 0.867 272 E CB 0.184 29.792 29.700 -0.154 0.000 0.888 272 E HN 0.494 nan 8.360 nan 0.000 0.510 273 G N 2.169 110.889 108.800 -0.134 0.000 2.176 273 G HA2 -0.328 3.633 3.960 0.002 0.000 0.252 273 G HA3 -0.328 3.633 3.960 0.002 0.000 0.252 273 G C -0.042 174.785 174.900 -0.122 0.000 1.024 273 G CA 0.204 45.240 45.100 -0.108 0.000 0.755 273 G HN 0.165 nan 8.290 nan 0.000 0.507 274 K N 0.306 120.600 120.400 -0.176 0.000 2.168 274 K HA 0.356 4.677 4.320 0.002 0.000 0.258 274 K C 0.942 177.448 176.600 -0.157 0.000 1.010 274 K CA -0.100 56.083 56.287 -0.173 0.000 0.929 274 K CB 0.495 32.855 32.500 -0.233 0.000 0.998 274 K HN 0.507 nan 8.250 nan 0.000 0.479 275 N N 0.705 119.336 118.700 -0.116 0.000 2.317 275 N HA -0.065 4.676 4.740 0.002 0.000 0.245 275 N C 0.728 176.172 175.510 -0.110 0.000 1.294 275 N CA -0.404 52.596 53.050 -0.083 0.000 0.924 275 N CB 0.234 38.692 38.487 -0.048 0.000 1.186 275 N HN 0.437 nan 8.380 nan 0.000 0.495 276 L N -0.411 120.784 121.223 -0.047 0.000 2.042 276 L HA -0.101 4.240 4.340 0.002 0.000 0.210 276 L C 2.486 179.337 176.870 -0.031 0.000 1.076 276 L CA 1.755 56.586 54.840 -0.015 0.000 0.749 276 L CB -0.728 41.385 42.059 0.089 0.000 0.893 276 L HN 0.763 nan 8.230 nan 0.000 0.432 277 R N -0.540 119.950 120.500 -0.018 0.000 2.081 277 R HA -0.167 4.174 4.340 0.002 0.000 0.235 277 R C 2.120 178.400 176.300 -0.034 0.000 1.131 277 R CA 1.776 57.874 56.100 -0.003 0.000 0.960 277 R CB -0.168 30.132 30.300 0.000 0.000 0.856 277 R HN 0.528 nan 8.270 nan 0.000 0.436 278 E N -0.409 119.746 120.200 -0.075 0.000 2.150 278 E HA -0.188 4.164 4.350 0.002 0.000 0.193 278 E C 2.139 178.647 176.600 -0.152 0.000 0.985 278 E CA 1.295 57.642 56.400 -0.088 0.000 0.814 278 E CB -0.043 29.591 29.700 -0.109 0.000 0.752 278 E HN 0.424 nan 8.360 nan 0.000 0.466 279 C N 0.746 119.858 119.300 -0.312 0.000 2.453 279 C HA -0.057 4.404 4.460 0.002 0.000 0.277 279 C C 2.927 177.646 174.990 -0.451 0.000 1.262 279 C CA 0.807 59.446 59.018 -0.633 0.000 1.718 279 C CB -0.900 26.050 27.740 -1.317 0.000 2.031 279 C HN 0.523 nan 8.230 nan 0.000 0.480 280 A N 0.602 123.327 122.820 -0.159 0.000 1.902 280 A HA -0.190 4.131 4.320 0.002 0.000 0.217 280 A C 2.220 179.843 177.584 0.064 0.000 1.181 280 A CA 1.470 53.587 52.037 0.133 0.000 0.623 280 A CB -0.520 18.621 19.000 0.236 0.000 0.818 280 A HN 0.663 nan 8.150 nan 0.000 0.443 281 R N -2.197 118.323 120.500 0.034 0.000 2.081 281 R HA -0.091 4.250 4.340 0.002 0.000 0.235 281 R C 1.970 178.285 176.300 0.024 0.000 1.131 281 R CA 1.573 57.698 56.100 0.042 0.000 0.960 281 R CB -0.447 29.879 30.300 0.043 0.000 0.856 281 R HN 0.547 nan 8.270 nan 0.000 0.436 282 F N 1.096 120.961 119.950 -0.141 0.000 2.146 282 F HA -0.134 4.394 4.527 0.001 0.000 0.298 282 F C 2.327 178.014 175.800 -0.188 0.000 1.096 282 F CA 1.309 59.217 58.000 -0.153 0.000 1.275 282 F CB -0.341 38.544 39.000 -0.192 0.000 1.008 282 F HN 0.005 nan 8.300 nan 0.000 0.480 283 A N 0.224 122.949 122.820 -0.157 0.000 1.877 283 A HA -0.222 4.099 4.320 0.002 0.000 0.216 283 A C 2.123 179.518 177.584 -0.314 0.000 1.186 283 A CA 1.957 53.698 52.037 -0.493 0.000 0.620 283 A CB -0.905 17.412 19.000 -1.139 0.000 0.822 283 A HN 0.441 nan 8.150 nan 0.000 0.443 284 N N 0.379 119.038 118.700 -0.068 0.000 2.166 284 N HA -0.104 4.637 4.740 0.002 0.000 0.186 284 N C 1.875 177.392 175.510 0.013 0.000 1.019 284 N CA 1.526 54.655 53.050 0.133 0.000 0.856 284 N CB -0.540 38.042 38.487 0.159 0.000 0.993 284 N HN 0.486 nan 8.380 nan 0.000 0.426 285 A N 0.427 123.184 122.820 -0.105 0.000 1.898 285 A HA -0.085 4.237 4.320 0.002 0.000 0.216 285 A C 2.360 179.820 177.584 -0.207 0.000 1.181 285 A CA 1.838 53.773 52.037 -0.170 0.000 0.620 285 A CB -0.976 17.859 19.000 -0.275 0.000 0.819 285 A HN 0.289 nan 8.150 nan 0.000 0.442 286 T N 0.400 114.780 114.554 -0.290 0.000 2.746 286 T HA -0.005 4.347 4.350 0.002 0.000 0.267 286 T C 2.196 176.847 174.700 -0.082 0.000 1.039 286 T CA 1.506 63.469 62.100 -0.228 0.000 1.142 286 T CB -0.417 68.307 68.868 -0.240 0.000 0.866 286 T HN 0.576 nan 8.240 nan 0.000 0.444 287 A N 1.433 124.248 122.820 -0.008 0.000 1.930 287 A HA 0.212 4.533 4.320 0.002 0.000 0.217 287 A C 2.646 180.254 177.584 0.040 0.000 1.175 287 A CA 1.696 53.778 52.037 0.076 0.000 0.627 287 A CB -1.050 18.083 19.000 0.221 0.000 0.815 287 A HN 0.500 nan 8.150 nan 0.000 0.443 288 A N 0.044 122.875 122.820 0.018 0.000 1.902 288 A HA -0.067 4.254 4.320 0.002 0.000 0.217 288 A C 1.993 179.572 177.584 -0.009 0.000 1.181 288 A CA 1.635 53.677 52.037 0.007 0.000 0.623 288 A CB -0.459 18.538 19.000 -0.004 0.000 0.818 288 A HN 0.404 nan 8.150 nan 0.000 0.443 289 I N 0.982 121.533 120.570 -0.032 0.000 2.252 289 I HA -0.185 3.986 4.170 0.002 0.000 0.245 289 I C 2.883 178.992 176.117 -0.013 0.000 1.102 289 I CA 1.976 63.257 61.300 -0.031 0.000 1.385 289 I CB -1.502 36.464 38.000 -0.057 0.000 1.064 289 I HN 0.544 nan 8.210 nan 0.000 0.414 290 S N 1.648 117.343 115.700 -0.008 0.000 2.382 290 S HA -0.126 4.345 4.470 0.002 0.000 0.228 290 S C 1.988 176.597 174.600 0.015 0.000 1.027 290 S CA 1.505 59.709 58.200 0.007 0.000 0.991 290 S CB -1.278 61.930 63.200 0.015 0.000 0.823 290 S HN 0.354 nan 8.310 nan 0.000 0.469 291 V N -0.216 119.709 119.914 0.018 0.000 2.970 291 V HA 0.176 4.297 4.120 0.002 0.000 0.260 291 V C 2.186 178.290 176.094 0.017 0.000 1.100 291 V CA 1.076 63.389 62.300 0.021 0.000 1.122 291 V CB -1.176 30.662 31.823 0.025 0.000 0.721 291 V HN 0.488 nan 8.190 nan 0.000 0.483 292 L N 0.242 121.471 121.223 0.011 0.000 2.395 292 L HA 0.134 4.475 4.340 0.002 0.000 0.218 292 L C 1.135 178.012 176.870 0.011 0.000 1.130 292 L CA 0.457 55.302 54.840 0.009 0.000 0.826 292 L CB -0.117 41.944 42.059 0.003 0.000 0.941 292 L HN 0.320 nan 8.230 nan 0.000 0.451 293 S N -0.975 114.733 115.700 0.013 0.000 2.648 293 S HA 0.484 4.955 4.470 0.002 0.000 0.305 293 S C -0.392 174.220 174.600 0.021 0.000 1.094 293 S CA -0.709 57.501 58.200 0.016 0.000 0.983 293 S CB 2.486 65.695 63.200 0.015 0.000 1.101 293 S HN -0.069 nan 8.310 nan 0.000 0.514 294 V N 0.676 120.604 119.914 0.023 0.000 2.432 294 V HA 0.861 4.982 4.120 0.002 0.000 0.271 294 V C 0.645 176.758 176.094 0.032 0.000 1.046 294 V CA 0.025 62.342 62.300 0.028 0.000 0.945 294 V CB -0.434 31.405 31.823 0.027 0.000 0.992 294 V HN 1.274 nan 8.190 nan 0.000 0.471 295 G N 3.104 111.926 108.800 0.035 0.000 2.515 295 G HA2 0.361 4.322 3.960 0.002 0.000 0.686 295 G HA3 0.361 4.322 3.960 0.002 0.000 0.686 295 G C 0.332 175.253 174.900 0.034 0.000 1.274 295 G CA -0.207 44.916 45.100 0.038 0.000 0.874 295 G HN 1.444 nan 8.290 nan 0.000 0.631 296 A N -0.524 122.315 122.820 0.032 0.000 1.968 296 A HA 0.362 4.683 4.320 0.002 0.000 0.217 296 A C 2.175 179.775 177.584 0.026 0.000 1.169 296 A CA 2.846 54.900 52.037 0.027 0.000 0.638 296 A CB -0.320 18.692 19.000 0.021 0.000 0.812 296 A HN 2.329 nan 8.150 nan 0.000 0.446 297 T N -3.876 110.697 114.554 0.030 0.000 3.252 297 T HA 0.162 4.513 4.350 0.002 0.000 0.286 297 T C 1.074 175.798 174.700 0.040 0.000 1.013 297 T CA 0.703 62.826 62.100 0.039 0.000 0.914 297 T CB -0.254 68.651 68.868 0.060 0.000 1.131 297 T HN 0.408 nan 8.240 nan 0.000 0.529 298 T N -1.802 112.772 114.554 0.034 0.000 3.009 298 T HA 0.225 4.576 4.350 0.002 0.000 0.258 298 T C 2.213 176.925 174.700 0.020 0.000 1.063 298 T CA 0.881 62.999 62.100 0.031 0.000 1.139 298 T CB -0.730 68.157 68.868 0.032 0.000 0.890 298 T HN 0.342 nan 8.240 nan 0.000 0.471 299 G N 1.784 110.593 108.800 0.016 0.000 2.434 299 G HA2 0.004 3.965 3.960 0.002 0.000 0.214 299 G HA3 0.004 3.965 3.960 0.002 0.000 0.214 299 G C 0.608 175.507 174.900 -0.002 0.000 1.202 299 G CA 0.565 45.669 45.100 0.006 0.000 0.788 299 G HN 0.506 nan 8.290 nan 0.000 0.539 300 V N 1.919 121.831 119.914 -0.004 0.000 2.326 300 V HA 0.157 4.278 4.120 0.002 0.000 0.249 300 V C 1.047 177.140 176.094 -0.000 0.000 1.114 300 V CA 0.122 62.415 62.300 -0.011 0.000 1.028 300 V CB 0.653 32.465 31.823 -0.019 0.000 1.170 300 V HN 0.368 nan 8.190 nan 0.000 0.494 301 K N 2.921 123.320 120.400 -0.002 0.000 2.186 301 K HA -0.005 4.316 4.320 0.002 0.000 0.202 301 K C 0.959 177.558 176.600 -0.002 0.000 1.052 301 K CA 1.443 57.731 56.287 0.001 0.000 0.965 301 K CB 0.241 32.741 32.500 -0.000 0.000 0.746 301 K HN 0.857 nan 8.250 nan 0.000 0.457 302 N N -1.532 117.167 118.700 -0.002 0.000 3.067 302 N HA 0.087 4.828 4.740 0.002 0.000 0.213 302 N C 0.943 176.462 175.510 0.016 0.000 1.522 302 N CA -0.502 52.549 53.050 0.002 0.000 1.273 302 N CB 0.350 38.836 38.487 -0.002 0.000 0.931 302 N HN -0.128 nan 8.380 nan 0.000 0.799 303 R N -1.759 118.751 120.500 0.018 0.000 2.517 303 R HA 0.194 4.535 4.340 0.002 0.000 0.076 303 R C 0.406 176.726 176.300 0.033 0.000 0.836 303 R CA -0.053 56.076 56.100 0.048 0.000 2.702 303 R CB -0.014 30.334 30.300 0.081 0.000 1.407 303 R HN -0.037 nan 8.270 nan 0.000 0.512 304 K N 1.612 122.023 120.400 0.018 0.000 2.113 304 K HA -0.098 4.223 4.320 0.002 0.000 0.208 304 K C 1.971 178.567 176.600 -0.006 0.000 1.047 304 K CA 1.341 57.635 56.287 0.011 0.000 0.928 304 K CB -0.330 32.173 32.500 0.004 0.000 0.716 304 K HN 0.318 nan 8.250 nan 0.000 0.446 305 L N 0.507 121.719 121.223 -0.018 0.000 2.042 305 L HA -0.180 4.161 4.340 0.002 0.000 0.210 305 L C 2.454 179.286 176.870 -0.064 0.000 1.076 305 L CA 0.944 55.763 54.840 -0.034 0.000 0.749 305 L CB -0.732 41.307 42.059 -0.034 0.000 0.893 305 L HN -0.112 nan 8.230 nan 0.000 0.432 306 V N -0.136 119.717 119.914 -0.101 0.000 2.323 306 V HA -0.202 3.919 4.120 0.002 0.000 0.244 306 V C 2.269 178.267 176.094 -0.161 0.000 1.041 306 V CA 1.644 63.817 62.300 -0.213 0.000 1.025 306 V CB -0.495 31.070 31.823 -0.429 0.000 0.656 306 V HN 0.453 nan 8.190 nan 0.000 0.451 307 E N -0.144 120.033 120.200 -0.038 0.000 2.338 307 E HA -0.230 4.121 4.350 0.002 0.000 0.197 307 E C 2.146 178.750 176.600 0.007 0.000 1.007 307 E CA 0.498 56.925 56.400 0.045 0.000 0.849 307 E CB -0.166 29.594 29.700 0.100 0.000 0.774 307 E HN 0.509 nan 8.360 nan 0.000 0.506 308 Q N 0.432 120.222 119.800 -0.016 0.000 2.364 308 Q HA -0.115 4.226 4.340 0.002 0.000 0.209 308 Q C 0.208 176.196 176.000 -0.020 0.000 0.977 308 Q CA 0.750 56.544 55.803 -0.015 0.000 0.885 308 Q CB 0.205 28.931 28.738 -0.020 0.000 0.941 308 Q HN 0.133 nan 8.270 nan 0.000 0.464 309 L N 0.000 121.202 121.223 -0.036 0.000 2.949 309 L HA 0.000 4.341 4.340 0.002 0.000 0.249 309 L CA 0.000 54.819 54.840 -0.034 0.000 0.813 309 L CB 0.000 42.024 42.059 -0.058 0.000 0.961 309 L HN 0.000 nan 8.230 nan 0.000 0.502