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 2b8n_1_A DATA FIRST_RESID 4 DATA SEQUENCE PESLKKLAIE IVKKSIEAVF PDRAVKETLP KLNLDRVILV AVGKAAWRXA DATA SEQUENCE KAAYEVLGKK IRKGVVVTKY GHSEGPIDDF EIYEAGHPVP DENTIKTTRR DATA SEQUENCE VLELVDQLNE NDTVLFLLSG GGSSLFELPL EGVSLEEIQK LTSALLKSGA DATA SEQUENCE SIEEINTVRK HLSQVKGGRF AERVFPAKVV ALVLSDVLGD RLDVIASGPA DATA SEQUENCE WPDSSTSEDA LKVLEKYGIE TSESVKRAIL QETPKHLSNV EIHLIGNVQK DATA SEQUENCE VCDEAKSLAK EKGFNAEIIT TSLDCEAREA GRFIASIXKE VKFKDRPLKK DATA SEQUENCE PAALIFGGET VVHVKGNGIG GRNQELALSA AIALEGIEGV ILCSAGTDGT DATA SEQUENCE DGPTDAAGGI VDGSTAKTLK AXGEDPYQYL KNNDSYNALK KSGALLITGP DATA SEQUENCE TGTNVNDLII GLIV 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 4 P HA 0.000 nan 4.420 nan 0.000 0.216 4 P C 0.000 177.305 177.300 0.008 0.000 1.155 4 P CA 0.000 63.106 63.100 0.009 0.000 0.800 4 P CB 0.000 31.703 31.700 0.005 0.000 0.726 5 E N 1.837 122.039 120.200 0.004 0.000 2.114 5 E HA -0.181 4.169 4.350 -0.000 0.000 0.199 5 E C 1.824 178.428 176.600 0.007 0.000 1.008 5 E CA 2.484 58.885 56.400 0.002 0.000 0.810 5 E CB -0.365 29.335 29.700 0.001 0.000 0.739 5 E HN 0.456 nan 8.360 nan 0.000 0.456 6 S N -0.437 115.270 115.700 0.012 0.000 2.406 6 S HA -0.124 4.346 4.470 -0.000 0.000 0.228 6 S C 1.978 176.598 174.600 0.032 0.000 1.020 6 S CA 0.905 59.116 58.200 0.019 0.000 0.965 6 S CB -0.396 62.815 63.200 0.018 0.000 0.798 6 S HN 0.279 nan 8.310 nan 0.000 0.488 7 L N 1.864 123.109 121.223 0.038 0.000 2.056 7 L HA 0.128 4.468 4.340 -0.000 0.000 0.207 7 L C 2.521 179.409 176.870 0.030 0.000 1.078 7 L CA 1.733 56.607 54.840 0.057 0.000 0.749 7 L CB -0.668 41.427 42.059 0.060 0.000 0.901 7 L HN 0.270 nan 8.230 nan 0.000 0.433 8 K N -0.452 119.956 120.400 0.013 0.000 2.044 8 K HA -0.261 4.059 4.320 -0.000 0.000 0.210 8 K C 2.161 178.761 176.600 0.001 0.000 1.049 8 K CA 1.934 58.221 56.287 -0.001 0.000 0.927 8 K CB -0.058 32.438 32.500 -0.007 0.000 0.713 8 K HN 0.265 nan 8.250 nan 0.000 0.443 9 K N 0.199 120.604 120.400 0.008 0.000 2.097 9 K HA -0.146 4.174 4.320 -0.000 0.000 0.206 9 K C 2.041 178.650 176.600 0.015 0.000 1.049 9 K CA 0.990 57.282 56.287 0.008 0.000 0.933 9 K CB -0.135 32.371 32.500 0.010 0.000 0.717 9 K HN 0.066 nan 8.250 nan 0.000 0.442 10 L N 0.929 122.171 121.223 0.030 0.000 2.046 10 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 10 L C 2.146 179.028 176.870 0.021 0.000 1.077 10 L CA 1.802 56.673 54.840 0.050 0.000 0.747 10 L CB -0.738 41.387 42.059 0.110 0.000 0.896 10 L HN 0.126 nan 8.230 nan 0.000 0.432 11 A N -0.836 121.980 122.820 -0.007 0.000 1.930 11 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 11 A C 2.277 179.845 177.584 -0.026 0.000 1.175 11 A CA 1.669 53.680 52.037 -0.042 0.000 0.627 11 A CB -0.704 18.261 19.000 -0.059 0.000 0.815 11 A HN 0.458 nan 8.150 nan 0.000 0.443 12 I N -0.664 119.898 120.570 -0.014 0.000 2.179 12 I HA -0.246 3.924 4.170 -0.000 0.000 0.242 12 I C 2.599 178.711 176.117 -0.008 0.000 1.088 12 I CA 1.619 62.913 61.300 -0.010 0.000 1.357 12 I CB -0.233 37.763 38.000 -0.008 0.000 1.051 12 I HN 0.458 nan 8.210 nan 0.000 0.409 13 E N 1.106 121.304 120.200 -0.004 0.000 2.051 13 E HA -0.232 4.117 4.350 -0.000 0.000 0.192 13 E C 2.340 178.932 176.600 -0.013 0.000 0.991 13 E CA 1.456 57.852 56.400 -0.005 0.000 0.799 13 E CB -0.043 29.658 29.700 0.002 0.000 0.748 13 E HN 0.452 nan 8.360 nan 0.000 0.449 14 I N 0.400 120.963 120.570 -0.012 0.000 2.208 14 I HA -0.292 3.878 4.170 -0.000 0.000 0.245 14 I C 2.438 178.539 176.117 -0.027 0.000 1.097 14 I CA 0.781 62.069 61.300 -0.021 0.000 1.363 14 I CB -0.218 37.762 38.000 -0.034 0.000 1.051 14 I HN 0.028 nan 8.210 nan 0.000 0.413 15 V N 0.695 120.595 119.914 -0.023 0.000 2.295 15 V HA -0.303 3.817 4.120 -0.000 0.000 0.246 15 V C 2.466 178.553 176.094 -0.011 0.000 1.049 15 V CA 1.874 64.166 62.300 -0.013 0.000 1.024 15 V CB -0.670 31.150 31.823 -0.006 0.000 0.648 15 V HN 0.370 nan 8.190 nan 0.000 0.447 16 K N -0.210 120.183 120.400 -0.012 0.000 2.002 16 K HA -0.163 4.157 4.320 -0.000 0.000 0.209 16 K C 2.306 178.868 176.600 -0.064 0.000 1.048 16 K CA 1.248 57.526 56.287 -0.015 0.000 0.930 16 K CB -0.204 32.291 32.500 -0.008 0.000 0.714 16 K HN 0.281 nan 8.250 nan 0.000 0.438 17 K N 0.515 120.874 120.400 -0.069 0.000 2.148 17 K HA -0.027 4.293 4.320 -0.000 0.000 0.204 17 K C 2.174 178.711 176.600 -0.106 0.000 1.050 17 K CA 0.939 57.164 56.287 -0.102 0.000 0.942 17 K CB -0.073 32.386 32.500 -0.069 0.000 0.724 17 K HN 0.030 nan 8.250 nan 0.000 0.446 18 S N 1.490 117.150 115.700 -0.067 0.000 2.368 18 S HA -0.040 4.430 4.470 -0.000 0.000 0.224 18 S C 2.066 176.634 174.600 -0.054 0.000 1.029 18 S CA 0.848 59.017 58.200 -0.052 0.000 0.988 18 S CB -0.161 63.020 63.200 -0.030 0.000 0.838 18 S HN 0.214 nan 8.310 nan 0.000 0.462 19 I N 1.612 122.156 120.570 -0.042 0.000 2.315 19 I HA -0.168 4.002 4.170 -0.000 0.000 0.248 19 I C 2.390 178.459 176.117 -0.080 0.000 1.117 19 I CA 1.083 62.391 61.300 0.013 0.000 1.404 19 I CB -0.413 37.649 38.000 0.103 0.000 1.071 19 I HN 0.315 nan 8.210 nan 0.000 0.419 20 E N 0.985 120.934 120.200 -0.419 0.000 2.233 20 E HA -0.273 4.077 4.350 -0.000 0.000 0.199 20 E C 2.239 178.594 176.600 -0.407 0.000 1.004 20 E CA 1.264 57.108 56.400 -0.928 0.000 0.819 20 E CB -0.200 29.073 29.700 -0.710 0.000 0.738 20 E HN 0.554 nan 8.360 nan 0.000 0.478 21 A N 0.912 123.624 122.820 -0.181 0.000 2.070 21 A HA -0.107 4.213 4.320 -0.000 0.000 0.220 21 A C 2.106 179.691 177.584 0.002 0.000 1.159 21 A CA 1.358 53.352 52.037 -0.072 0.000 0.656 21 A CB -0.178 18.793 19.000 -0.049 0.000 0.800 21 A HN 0.222 nan 8.150 nan 0.000 0.453 22 V N -4.765 115.185 119.914 0.060 0.000 3.085 22 V HA 0.449 4.569 4.120 -0.000 0.000 0.345 22 V C -0.039 176.215 176.094 0.267 0.000 1.397 22 V CA -1.028 61.348 62.300 0.125 0.000 1.165 22 V CB -1.147 30.733 31.823 0.094 0.000 1.153 22 V HN 0.116 nan 8.190 nan 0.000 0.495 23 F N 2.390 122.343 119.950 0.006 0.000 2.506 23 F HA 0.400 4.926 4.527 -0.000 0.000 0.351 23 F C -0.653 175.153 175.800 0.011 0.000 1.136 23 F CA -2.127 55.880 58.000 0.011 0.000 1.298 23 F CB 0.699 39.707 39.000 0.014 0.000 1.145 23 F HN 0.071 nan 8.300 nan 0.000 0.593 24 P HA -0.205 nan 4.420 nan 0.000 0.215 24 P C 1.344 178.699 177.300 0.092 0.000 1.157 24 P CA 1.654 64.803 63.100 0.082 0.000 0.874 24 P CB 0.178 31.901 31.700 0.038 0.000 0.790 25 D N -0.918 119.556 120.400 0.122 0.000 2.092 25 D HA -0.205 4.435 4.640 -0.000 0.000 0.193 25 D C 2.198 178.545 176.300 0.079 0.000 0.994 25 D CA 1.211 55.269 54.000 0.096 0.000 0.828 25 D CB -0.284 40.587 40.800 0.118 0.000 0.963 25 D HN -0.081 nan 8.370 nan 0.000 0.450 26 R N -0.237 120.323 120.500 0.100 0.000 2.092 26 R HA -0.012 4.328 4.340 -0.000 0.000 0.231 26 R C 2.072 178.397 176.300 0.041 0.000 1.119 26 R CA 1.326 57.459 56.100 0.055 0.000 0.970 26 R CB -0.269 30.051 30.300 0.033 0.000 0.864 26 R HN 0.192 nan 8.270 nan 0.000 0.440 27 A N 0.257 123.112 122.820 0.058 0.000 1.902 27 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 27 A C 2.213 179.810 177.584 0.022 0.000 1.181 27 A CA 1.543 53.603 52.037 0.039 0.000 0.623 27 A CB -0.493 18.537 19.000 0.049 0.000 0.818 27 A HN 0.217 nan 8.150 nan 0.000 0.443 28 V N -0.019 119.908 119.914 0.023 0.000 2.270 28 V HA -0.248 3.871 4.120 -0.000 0.000 0.245 28 V C 2.434 178.528 176.094 0.000 0.000 1.043 28 V CA 2.365 64.670 62.300 0.009 0.000 1.014 28 V CB -0.670 31.161 31.823 0.012 0.000 0.645 28 V HN 0.533 nan 8.190 nan 0.000 0.447 29 K N -0.194 120.210 120.400 0.006 0.000 2.147 29 K HA -0.177 4.143 4.320 -0.000 0.000 0.205 29 K C 1.972 178.567 176.600 -0.009 0.000 1.049 29 K CA 1.473 57.759 56.287 -0.002 0.000 0.936 29 K CB -0.139 32.362 32.500 0.003 0.000 0.722 29 K HN 0.555 nan 8.250 nan 0.000 0.446 30 E N -0.617 119.579 120.200 -0.006 0.000 2.427 30 E HA -0.056 4.294 4.350 -0.000 0.000 0.196 30 E C 1.038 177.627 176.600 -0.019 0.000 1.028 30 E CA 0.801 57.195 56.400 -0.010 0.000 0.864 30 E CB 0.383 30.080 29.700 -0.005 0.000 0.813 30 E HN 0.263 nan 8.360 nan 0.000 0.514 31 T N 0.347 114.885 114.554 -0.027 0.000 3.114 31 T HA 0.000 4.350 4.350 -0.000 0.000 0.240 31 T C 1.557 176.210 174.700 -0.079 0.000 0.983 31 T CA -0.256 61.812 62.100 -0.055 0.000 1.151 31 T CB -0.153 68.682 68.868 -0.055 0.000 0.974 31 T HN -0.009 nan 8.240 nan 0.000 0.442 32 L N 2.876 124.063 121.223 -0.060 0.000 2.043 32 L HA 0.013 4.353 4.340 -0.000 0.000 0.212 32 L C -1.101 175.738 176.870 -0.052 0.000 1.075 32 L CA 2.137 56.941 54.840 -0.059 0.000 0.752 32 L CB -1.381 40.661 42.059 -0.028 0.000 0.891 32 L HN 0.115 nan 8.230 nan 0.000 0.432 33 P HA -0.190 nan 4.420 nan 0.000 0.215 33 P C 1.342 178.620 177.300 -0.037 0.000 1.153 33 P CA 1.678 64.758 63.100 -0.034 0.000 0.853 33 P CB -0.102 31.581 31.700 -0.028 0.000 0.788 34 K N -0.518 119.855 120.400 -0.045 0.000 2.218 34 K HA -0.111 4.209 4.320 -0.000 0.000 0.205 34 K C 1.770 178.340 176.600 -0.050 0.000 1.046 34 K CA 1.066 57.327 56.287 -0.044 0.000 0.933 34 K CB -0.616 31.855 32.500 -0.048 0.000 0.728 34 K HN 0.250 nan 8.250 nan 0.000 0.454 35 L N 0.472 121.653 121.223 -0.070 0.000 2.492 35 L HA 0.017 4.356 4.340 -0.000 0.000 0.223 35 L C -0.236 176.619 176.870 -0.026 0.000 1.132 35 L CA -0.131 54.671 54.840 -0.064 0.000 0.850 35 L CB -0.532 41.459 42.059 -0.114 0.000 0.966 35 L HN 0.201 nan 8.230 nan 0.000 0.454 36 N N 1.411 120.097 118.700 -0.023 0.000 2.688 36 N HA -0.164 4.576 4.740 -0.000 0.000 0.258 36 N C -0.560 174.947 175.510 -0.005 0.000 1.016 36 N CA 0.780 53.822 53.050 -0.012 0.000 0.747 36 N CB -1.440 37.042 38.487 -0.008 0.000 0.895 36 N HN 0.276 nan 8.380 nan 0.000 0.543 37 L N -0.078 121.142 121.223 -0.004 0.000 2.375 37 L HA 0.436 4.776 4.340 -0.000 0.000 0.271 37 L C 0.660 177.532 176.870 0.004 0.000 1.107 37 L CA -0.110 54.732 54.840 0.004 0.000 0.806 37 L CB 0.850 42.915 42.059 0.010 0.000 1.146 37 L HN 0.099 nan 8.230 nan 0.000 0.447 38 D N 1.106 121.509 120.400 0.005 0.000 2.596 38 D HA 0.288 4.928 4.640 -0.000 0.000 0.234 38 D C -0.568 175.734 176.300 0.003 0.000 1.181 38 D CA -0.628 53.374 54.000 0.004 0.000 0.856 38 D CB 2.122 42.922 40.800 -0.000 0.000 1.498 38 D HN 0.370 nan 8.370 nan 0.000 0.446 39 R N -0.368 120.135 120.500 0.005 0.000 3.264 39 R HA -0.125 4.215 4.340 -0.000 0.000 0.251 39 R C -0.691 175.610 176.300 0.001 0.000 0.971 39 R CA 0.105 56.206 56.100 0.002 0.000 0.658 39 R CB -1.825 28.470 30.300 -0.008 0.000 1.095 39 R HN 0.129 nan 8.270 nan 0.000 0.443 40 V N 2.096 122.016 119.914 0.009 0.000 2.439 40 V HA 0.344 4.464 4.120 -0.000 0.000 0.282 40 V C 0.590 176.680 176.094 -0.008 0.000 1.039 40 V CA -0.522 61.782 62.300 0.006 0.000 0.913 40 V CB 1.552 33.386 31.823 0.018 0.000 0.983 40 V HN 0.128 nan 8.190 nan 0.000 0.460 41 I N 5.513 126.073 120.570 -0.017 0.000 2.330 41 I HA 0.390 4.560 4.170 -0.000 0.000 0.289 41 I C -0.212 175.879 176.117 -0.045 0.000 1.001 41 I CA 0.020 61.297 61.300 -0.038 0.000 1.193 41 I CB 1.440 39.428 38.000 -0.019 0.000 1.345 41 I HN 0.507 nan 8.210 nan 0.000 0.461 42 L N 7.720 128.863 121.223 -0.134 0.000 2.264 42 L HA 0.687 5.027 4.340 -0.000 0.000 0.289 42 L C -1.136 175.656 176.870 -0.129 0.000 1.044 42 L CA -0.433 54.319 54.840 -0.147 0.000 0.807 42 L CB 0.864 42.745 42.059 -0.297 0.000 1.192 42 L HN 0.316 nan 8.230 nan 0.000 0.425 43 V N 5.178 125.106 119.914 0.024 0.000 2.407 43 V HA 0.690 4.810 4.120 -0.000 0.000 0.291 43 V C -0.051 176.084 176.094 0.068 0.000 1.018 43 V CA -0.400 61.946 62.300 0.078 0.000 0.842 43 V CB 1.374 33.330 31.823 0.221 0.000 0.996 43 V HN 0.875 nan 8.190 nan 0.000 0.426 44 A N 4.980 127.770 122.820 -0.049 0.000 2.319 44 A HA 0.896 5.216 4.320 -0.000 0.000 0.310 44 A C -1.033 176.467 177.584 -0.141 0.000 1.152 44 A CA -0.527 51.442 52.037 -0.114 0.000 0.783 44 A CB 1.606 20.552 19.000 -0.089 0.000 1.184 44 A HN 0.654 nan 8.150 nan 0.000 0.474 45 V N 1.859 121.625 119.914 -0.248 0.000 2.638 45 V HA 0.910 5.030 4.120 -0.000 0.000 0.306 45 V C 0.456 176.412 176.094 -0.229 0.000 1.052 45 V CA 0.606 62.757 62.300 -0.247 0.000 0.885 45 V CB 1.478 33.062 31.823 -0.399 0.000 0.999 45 V HN 1.971 nan 8.190 nan 0.000 0.424 46 G N 3.967 112.669 108.800 -0.164 0.000 2.369 46 G HA2 0.060 4.019 3.960 -0.000 0.000 0.307 46 G HA3 0.060 4.019 3.960 -0.000 0.000 0.307 46 G C -0.178 174.632 174.900 -0.150 0.000 1.327 46 G CA -0.429 44.573 45.100 -0.165 0.000 0.963 46 G HN 0.529 nan 8.290 nan 0.000 0.590 47 K N -0.197 120.102 120.400 -0.169 0.000 2.283 47 K HA 0.150 4.470 4.320 -0.000 0.000 0.202 47 K C 1.995 178.620 176.600 0.042 0.000 1.048 47 K CA 1.355 57.576 56.287 -0.110 0.000 0.948 47 K CB 0.097 32.529 32.500 -0.113 0.000 0.742 47 K HN 0.634 nan 8.250 nan 0.000 0.458 48 A N 0.534 123.352 122.820 -0.004 0.000 2.507 48 A HA 0.382 4.702 4.320 -0.000 0.000 0.270 48 A C 1.731 179.338 177.584 0.038 0.000 1.318 48 A CA 0.280 52.330 52.037 0.022 0.000 0.924 48 A CB -0.108 18.884 19.000 -0.014 0.000 1.061 48 A HN 0.213 nan 8.150 nan 0.000 0.516 49 A N -0.515 122.327 122.820 0.037 0.000 1.902 49 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 49 A C 1.832 179.465 177.584 0.082 0.000 1.181 49 A CA 1.458 53.506 52.037 0.018 0.000 0.623 49 A CB -0.744 18.253 19.000 -0.005 0.000 0.818 49 A HN 0.832 nan 8.150 nan 0.000 0.443 50 W N 1.033 122.329 121.300 -0.007 0.000 2.381 50 W HA -0.045 4.614 4.660 -0.000 0.000 0.301 50 W C 1.427 177.954 176.519 0.013 0.000 1.205 50 W CA 1.239 58.590 57.345 0.010 0.000 1.285 50 W CB 0.079 29.544 29.460 0.008 0.000 1.133 50 W HN 0.094 nan 8.180 nan 0.000 0.521 54 K N 0.891 121.114 120.400 -0.296 0.000 2.074 54 K HA -0.128 4.192 4.320 -0.000 0.000 0.209 54 K C 1.969 178.534 176.600 -0.057 0.000 1.048 54 K CA 2.059 58.168 56.287 -0.298 0.000 0.926 54 K CB -0.280 31.916 32.500 -0.507 0.000 0.713 54 K HN 0.580 nan 8.250 nan 0.000 0.444 55 A N 0.705 123.505 122.820 -0.032 0.000 1.930 55 A HA -0.035 4.285 4.320 -0.000 0.000 0.217 55 A C 2.291 179.892 177.584 0.028 0.000 1.175 55 A CA 1.654 53.696 52.037 0.008 0.000 0.627 55 A CB -0.687 18.322 19.000 0.016 0.000 0.815 55 A HN 0.496 nan 8.150 nan 0.000 0.443 56 A N -1.416 121.436 122.820 0.054 0.000 1.930 56 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 56 A C 2.113 179.779 177.584 0.136 0.000 1.175 56 A CA 1.616 53.701 52.037 0.079 0.000 0.627 56 A CB -0.797 18.255 19.000 0.087 0.000 0.815 56 A HN 0.681 nan 8.150 nan 0.000 0.443 57 Y N 1.061 121.392 120.300 0.051 0.000 2.128 57 Y HA -0.215 4.335 4.550 -0.000 0.000 0.284 57 Y C 2.182 178.069 175.900 -0.021 0.000 1.154 57 Y CA 2.170 60.292 58.100 0.037 0.000 1.149 57 Y CB -0.453 37.931 38.460 -0.126 0.000 0.976 57 Y HN 0.503 nan 8.280 nan 0.000 0.505 58 E N -0.955 119.182 120.200 -0.105 0.000 2.110 58 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 58 E C 2.257 178.772 176.600 -0.142 0.000 0.988 58 E CA 1.455 57.747 56.400 -0.179 0.000 0.804 58 E CB -0.194 29.464 29.700 -0.071 0.000 0.745 58 E HN 0.336 nan 8.360 nan 0.000 0.458 59 V N 0.995 120.865 119.914 -0.074 0.000 2.307 59 V HA -0.221 3.899 4.120 -0.000 0.000 0.245 59 V C 2.100 178.152 176.094 -0.071 0.000 1.045 59 V CA 1.531 63.797 62.300 -0.057 0.000 1.024 59 V CB -0.232 31.576 31.823 -0.025 0.000 0.651 59 V HN 0.243 nan 8.190 nan 0.000 0.449 60 L N -1.556 119.629 121.223 -0.063 0.000 2.388 60 L HA 0.433 4.773 4.340 -0.000 0.000 0.209 60 L C 1.678 178.501 176.870 -0.079 0.000 1.061 60 L CA 0.773 55.590 54.840 -0.039 0.000 0.834 60 L CB -0.513 41.560 42.059 0.023 0.000 1.029 60 L HN 0.520 nan 8.230 nan 0.000 0.473 61 G N 0.869 109.553 108.800 -0.194 0.000 2.583 61 G HA2 -0.345 3.614 3.960 -0.000 0.000 0.292 61 G HA3 -0.345 3.614 3.960 -0.000 0.000 0.292 61 G C 0.697 175.606 174.900 0.016 0.000 1.203 61 G CA 0.263 45.199 45.100 -0.273 0.000 0.987 61 G HN 0.125 nan 8.290 nan 0.000 0.554 62 K N 1.042 121.457 120.400 0.025 0.000 2.574 62 K HA 0.024 4.344 4.320 -0.000 0.000 0.193 62 K C 2.300 178.943 176.600 0.071 0.000 1.035 62 K CA 1.089 57.427 56.287 0.086 0.000 0.982 62 K CB -0.137 32.397 32.500 0.056 0.000 0.795 62 K HN 0.587 nan 8.250 nan 0.000 0.491 63 K N 0.368 120.798 120.400 0.050 0.000 2.283 63 K HA 0.010 4.330 4.320 -0.000 0.000 0.202 63 K C 0.704 177.342 176.600 0.062 0.000 1.048 63 K CA 0.515 56.827 56.287 0.041 0.000 0.948 63 K CB 0.030 32.543 32.500 0.022 0.000 0.742 63 K HN 0.075 nan 8.250 nan 0.000 0.458 64 I N 1.617 122.254 120.570 0.113 0.000 2.396 64 I HA 0.028 4.197 4.170 -0.000 0.000 0.289 64 I C 1.212 177.405 176.117 0.126 0.000 1.056 64 I CA -0.006 61.369 61.300 0.124 0.000 1.365 64 I CB 1.056 39.187 38.000 0.218 0.000 1.407 64 I HN 0.037 nan 8.210 nan 0.000 0.509 65 R N 3.645 124.182 120.500 0.062 0.000 2.156 65 R HA 0.217 4.557 4.340 -0.000 0.000 0.207 65 R C 0.278 176.606 176.300 0.046 0.000 1.040 65 R CA 0.462 56.595 56.100 0.055 0.000 1.013 65 R CB 0.302 30.619 30.300 0.028 0.000 0.931 65 R HN 0.368 nan 8.270 nan 0.000 0.465 66 K N 0.056 120.451 120.400 -0.008 0.000 2.542 66 K HA 0.395 4.715 4.320 -0.000 0.000 0.259 66 K C -1.367 175.072 176.600 -0.267 0.000 0.932 66 K CA -0.393 55.859 56.287 -0.058 0.000 0.820 66 K CB 2.429 34.911 32.500 -0.029 0.000 1.345 66 K HN 0.182 nan 8.250 nan 0.000 0.432 67 G N 0.506 109.020 108.800 -0.477 0.000 2.591 67 G HA2 0.662 4.621 3.960 -0.000 0.000 0.306 67 G HA3 0.662 4.621 3.960 -0.000 0.000 0.306 67 G C -1.638 172.971 174.900 -0.485 0.000 1.334 67 G CA -0.500 43.988 45.100 -1.020 0.000 0.981 67 G HN 0.288 nan 8.290 nan 0.000 0.491 68 V N 1.476 121.187 119.914 -0.340 0.000 2.888 68 V HA 0.761 4.881 4.120 -0.000 0.000 0.309 68 V C -1.296 174.751 176.094 -0.079 0.000 1.114 68 V CA -0.541 61.684 62.300 -0.125 0.000 0.940 68 V CB 2.225 34.065 31.823 0.028 0.000 1.021 68 V HN 0.673 nan 8.190 nan 0.000 0.426 69 V N 6.355 126.250 119.914 -0.031 0.000 2.525 69 V HA 0.594 4.714 4.120 -0.000 0.000 0.299 69 V C -0.744 175.414 176.094 0.106 0.000 1.034 69 V CA -0.509 61.804 62.300 0.023 0.000 0.863 69 V CB 2.057 33.911 31.823 0.052 0.000 0.999 69 V HN 0.691 nan 8.190 nan 0.000 0.423 70 V N 3.904 123.870 119.914 0.086 0.000 2.444 70 V HA 0.762 4.881 4.120 -0.000 0.000 0.294 70 V C -0.020 176.082 176.094 0.013 0.000 1.022 70 V CA -0.139 62.221 62.300 0.100 0.000 0.850 70 V CB 1.731 33.610 31.823 0.093 0.000 0.992 70 V HN 0.936 nan 8.190 nan 0.000 0.426 71 T N 3.260 117.812 114.554 -0.003 0.000 2.696 71 T HA 0.454 4.803 4.350 -0.000 0.000 0.291 71 T C -0.547 174.011 174.700 -0.238 0.000 1.095 71 T CA -0.730 61.312 62.100 -0.097 0.000 1.026 71 T CB 1.759 70.636 68.868 0.014 0.000 1.390 71 T HN 0.622 nan 8.240 nan 0.000 0.513 72 K N 1.061 121.185 120.400 -0.460 0.000 2.380 72 K HA 0.214 4.534 4.320 -0.000 0.000 0.267 72 K C -0.636 175.766 176.600 -0.329 0.000 0.990 72 K CA -0.076 55.839 56.287 -0.620 0.000 0.946 72 K CB 0.104 31.924 32.500 -1.134 0.000 0.937 72 K HN 0.426 nan 8.250 nan 0.000 0.491 73 Y N 0.409 120.674 120.300 -0.058 0.000 2.810 73 Y HA -0.048 4.502 4.550 -0.000 0.000 0.332 73 Y C 1.682 177.658 175.900 0.126 0.000 1.243 73 Y CA 1.232 59.352 58.100 0.033 0.000 1.537 73 Y CB -0.231 38.250 38.460 0.035 0.000 1.265 73 Y HN 0.950 nan 8.280 nan 0.000 0.572 74 G N 1.402 110.365 108.800 0.272 0.000 2.179 74 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.260 74 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.260 74 G C 0.719 175.702 174.900 0.138 0.000 0.977 74 G CA 0.603 45.809 45.100 0.176 0.000 0.641 74 G HN 0.756 nan 8.290 nan 0.000 0.533 75 H N 0.655 119.702 119.070 -0.039 0.000 2.553 75 H HA 0.339 4.895 4.556 -0.000 0.000 0.276 75 H C 2.046 177.277 175.328 -0.162 0.000 0.979 75 H CA 0.837 56.835 56.048 -0.084 0.000 1.268 75 H CB 0.350 30.077 29.762 -0.059 0.000 1.450 75 H HN 0.603 nan 8.280 nan 0.000 0.527 76 S N 0.635 116.308 115.700 -0.045 0.000 2.580 76 S HA 0.110 4.579 4.470 -0.000 0.000 0.274 76 S C 0.453 174.655 174.600 -0.663 0.000 1.329 76 S CA -0.504 57.507 58.200 -0.315 0.000 1.036 76 S CB 1.264 64.445 63.200 -0.032 0.000 0.919 76 S HN 0.406 nan 8.310 nan 0.000 0.515 77 E N 1.265 120.538 120.200 -1.546 0.000 2.989 77 E HA 0.439 4.789 4.350 -0.000 0.000 0.207 77 E C 0.630 176.739 176.600 -0.818 0.000 0.989 77 E CA -0.234 55.410 56.400 -1.260 0.000 1.186 77 E CB 0.291 29.047 29.700 -1.572 0.000 1.141 77 E HN 1.050 nan 8.360 nan 0.000 0.454 78 G N 1.898 110.489 108.800 -0.350 0.000 2.526 78 G HA2 -0.173 3.786 3.960 -0.000 0.000 0.250 78 G HA3 -0.173 3.786 3.960 -0.000 0.000 0.250 78 G C -2.781 172.314 174.900 0.324 0.000 1.289 78 G CA -1.329 43.791 45.100 0.033 0.000 0.947 78 G HN 0.013 nan 8.290 nan 0.000 0.517 79 P HA 0.483 nan 4.420 nan 0.000 0.268 79 P C -0.081 177.250 177.300 0.051 0.000 1.208 79 P CA 0.072 63.234 63.100 0.103 0.000 0.777 79 P CB 0.366 32.077 31.700 0.018 0.000 0.875 80 I N 1.266 121.712 120.570 -0.207 0.000 2.521 80 I HA 0.150 4.320 4.170 -0.000 0.000 0.277 80 I C 0.607 176.181 176.117 -0.904 0.000 1.054 80 I CA -0.396 60.538 61.300 -0.610 0.000 1.117 80 I CB 1.155 38.627 38.000 -0.880 0.000 1.217 80 I HN 0.412 nan 8.210 nan 0.000 0.469 81 D N 4.200 124.182 120.400 -0.696 0.000 4.049 81 D HA -0.357 4.283 4.640 -0.000 0.000 0.154 81 D C 0.865 176.972 176.300 -0.321 0.000 0.764 81 D CA 2.646 56.322 54.000 -0.540 0.000 1.058 81 D CB -0.312 39.970 40.800 -0.863 0.000 0.472 81 D HN 0.612 nan 8.370 nan 0.000 0.449 82 D N -2.105 118.146 120.400 -0.248 0.000 2.501 82 D HA 0.235 4.875 4.640 -0.000 0.000 0.224 82 D C 0.596 176.958 176.300 0.104 0.000 1.202 82 D CA -0.453 53.524 54.000 -0.039 0.000 0.829 82 D CB -0.668 40.142 40.800 0.018 0.000 1.023 82 D HN 0.302 nan 8.370 nan 0.000 0.499 83 F N 1.967 121.801 119.950 -0.193 0.000 2.545 83 F HA 0.334 4.861 4.527 -0.000 0.000 0.348 83 F C 1.189 176.877 175.800 -0.186 0.000 1.163 83 F CA -1.347 56.543 58.000 -0.184 0.000 1.331 83 F CB 0.101 38.959 39.000 -0.237 0.000 1.138 83 F HN 0.113 nan 8.300 nan 0.000 0.602 84 E N 2.704 122.881 120.200 -0.038 0.000 2.194 84 E HA 0.277 4.627 4.350 -0.000 0.000 0.284 84 E C -0.717 175.575 176.600 -0.513 0.000 1.035 84 E CA -0.380 55.827 56.400 -0.323 0.000 0.836 84 E CB 0.994 30.496 29.700 -0.330 0.000 1.070 84 E HN 0.166 nan 8.360 nan 0.000 0.401 85 I N 4.309 124.592 120.570 -0.479 0.000 2.330 85 I HA 0.274 4.444 4.170 -0.000 0.000 0.289 85 I C -0.638 175.303 176.117 -0.293 0.000 1.001 85 I CA -0.687 60.469 61.300 -0.241 0.000 1.193 85 I CB -0.397 37.642 38.000 0.065 0.000 1.345 85 I HN 0.438 nan 8.210 nan 0.000 0.461 86 Y N 3.962 124.335 120.300 0.122 0.000 2.536 86 Y HA 0.589 5.139 4.550 -0.000 0.000 0.347 86 Y C 0.290 176.245 175.900 0.092 0.000 1.000 86 Y CA -1.219 56.943 58.100 0.103 0.000 1.051 86 Y CB 1.714 40.223 38.460 0.083 0.000 1.259 86 Y HN 0.470 nan 8.280 nan 0.000 0.468 87 E N 0.800 121.174 120.200 0.290 0.000 2.343 87 E HA 0.897 5.247 4.350 -0.000 0.000 0.270 87 E C -1.224 175.429 176.600 0.089 0.000 0.895 87 E CA -1.249 55.240 56.400 0.148 0.000 0.767 87 E CB 2.882 32.732 29.700 0.250 0.000 1.248 87 E HN 0.689 nan 8.360 nan 0.000 0.440 88 A N 0.681 123.289 122.820 -0.354 0.000 2.557 88 A HA 0.742 5.062 4.320 -0.000 0.000 0.292 88 A C -0.529 176.603 177.584 -0.752 0.000 1.139 88 A CA -0.323 51.498 52.037 -0.360 0.000 0.665 88 A CB 0.977 19.929 19.000 -0.079 0.000 1.285 88 A HN 0.580 nan 8.150 nan 0.000 0.433 89 G N 0.089 108.734 108.800 -0.258 0.000 2.340 89 G HA2 0.484 4.443 3.960 -0.000 0.000 0.245 89 G HA3 0.484 4.443 3.960 -0.000 0.000 0.245 89 G C -0.200 174.662 174.900 -0.062 0.000 1.294 89 G CA 0.515 45.548 45.100 -0.112 0.000 0.896 89 G HN 0.999 nan 8.290 nan 0.000 0.522 90 H N 3.117 122.089 119.070 -0.163 0.000 3.123 90 H HA 0.225 4.781 4.556 -0.000 0.000 0.346 90 H C -2.045 173.246 175.328 -0.063 0.000 1.138 90 H CA -1.146 54.830 56.048 -0.119 0.000 1.273 90 H CB 2.848 32.502 29.762 -0.180 0.000 1.926 90 H HN 0.404 nan 8.280 nan 0.000 0.524 91 P HA 0.057 nan 4.420 nan 0.000 0.242 91 P C -0.264 176.858 177.300 -0.297 0.000 1.197 91 P CA 0.101 62.736 63.100 -0.776 0.000 0.765 91 P CB 0.601 31.979 31.700 -0.537 0.000 0.936 92 V N 3.062 122.889 119.914 -0.146 0.000 2.540 92 V HA 0.338 4.458 4.120 -0.000 0.000 0.302 92 V C -2.360 173.722 176.094 -0.021 0.000 1.035 92 V CA -2.288 59.973 62.300 -0.064 0.000 0.873 92 V CB 2.338 34.135 31.823 -0.042 0.000 0.992 92 V HN -0.046 nan 8.190 nan 0.000 0.428 93 P HA 0.298 nan 4.420 nan 0.000 0.275 93 P C -1.382 175.929 177.300 0.018 0.000 1.228 93 P CA 0.060 63.163 63.100 0.006 0.000 0.786 93 P CB 1.202 32.903 31.700 0.002 0.000 0.927 94 D N -0.034 120.388 120.400 0.036 0.000 2.784 94 D HA 0.293 4.933 4.640 -0.000 0.000 0.256 94 D C 1.310 177.634 176.300 0.040 0.000 1.129 94 D CA -0.403 53.628 54.000 0.050 0.000 1.102 94 D CB -0.605 40.253 40.800 0.097 0.000 1.330 94 D HN 0.242 nan 8.370 nan 0.000 0.626 95 E N -0.258 119.967 120.200 0.041 0.000 2.153 95 E HA -0.182 4.168 4.350 -0.000 0.000 0.194 95 E C 1.501 178.115 176.600 0.024 0.000 0.988 95 E CA 1.458 57.872 56.400 0.023 0.000 0.811 95 E CB -1.069 28.642 29.700 0.018 0.000 0.746 95 E HN 0.439 nan 8.360 nan 0.000 0.466 96 N N 0.187 118.924 118.700 0.061 0.000 2.244 96 N HA -0.098 4.642 4.740 -0.000 0.000 0.183 96 N C 2.076 177.600 175.510 0.023 0.000 1.016 96 N CA 1.809 54.895 53.050 0.060 0.000 0.866 96 N CB -0.559 38.031 38.487 0.172 0.000 0.980 96 N HN 0.519 nan 8.380 nan 0.000 0.430 97 T N 1.905 116.476 114.554 0.029 0.000 2.652 97 T HA -0.048 4.302 4.350 -0.000 0.000 0.267 97 T C 2.131 176.828 174.700 -0.005 0.000 1.039 97 T CA 0.856 62.965 62.100 0.015 0.000 1.153 97 T CB -0.287 68.589 68.868 0.014 0.000 0.863 97 T HN 0.169 nan 8.240 nan 0.000 0.428 98 I N 0.707 121.268 120.570 -0.015 0.000 2.118 98 I HA -0.249 3.921 4.170 -0.000 0.000 0.241 98 I C 2.610 178.702 176.117 -0.041 0.000 1.070 98 I CA 1.545 62.826 61.300 -0.032 0.000 1.327 98 I CB -0.299 37.687 38.000 -0.025 0.000 1.034 98 I HN 0.195 nan 8.210 nan 0.000 0.405 99 K N 0.254 120.625 120.400 -0.047 0.000 2.009 99 K HA -0.203 4.116 4.320 -0.000 0.000 0.210 99 K C 2.158 178.686 176.600 -0.121 0.000 1.049 99 K CA 2.380 58.619 56.287 -0.080 0.000 0.929 99 K CB -0.456 31.990 32.500 -0.091 0.000 0.714 99 K HN 0.524 nan 8.250 nan 0.000 0.440 100 T N -1.861 112.613 114.554 -0.133 0.000 2.857 100 T HA -0.082 4.268 4.350 -0.000 0.000 0.266 100 T C 2.037 176.736 174.700 -0.000 0.000 1.048 100 T CA 1.629 63.630 62.100 -0.164 0.000 1.139 100 T CB -0.588 68.210 68.868 -0.116 0.000 0.874 100 T HN 0.038 nan 8.240 nan 0.000 0.455 101 T N 1.658 116.231 114.554 0.032 0.000 2.708 101 T HA -0.041 4.309 4.350 -0.000 0.000 0.266 101 T C 2.010 176.718 174.700 0.012 0.000 1.037 101 T CA 1.418 63.548 62.100 0.051 0.000 1.146 101 T CB -0.337 68.477 68.868 -0.091 0.000 0.865 101 T HN 0.471 nan 8.240 nan 0.000 0.435 102 R N 0.848 121.335 120.500 -0.021 0.000 2.103 102 R HA -0.155 4.185 4.340 -0.000 0.000 0.242 102 R C 2.503 178.813 176.300 0.018 0.000 1.142 102 R CA 1.599 57.692 56.100 -0.012 0.000 0.960 102 R CB -0.124 30.160 30.300 -0.026 0.000 0.858 102 R HN 0.091 nan 8.270 nan 0.000 0.439 103 R N 0.415 120.922 120.500 0.012 0.000 2.075 103 R HA -0.044 4.296 4.340 -0.000 0.000 0.232 103 R C 1.996 178.360 176.300 0.106 0.000 1.126 103 R CA 1.748 57.875 56.100 0.044 0.000 0.963 103 R CB -0.793 29.511 30.300 0.008 0.000 0.858 103 R HN 0.173 nan 8.270 nan 0.000 0.435 104 V N 1.007 121.008 119.914 0.145 0.000 2.392 104 V HA -0.233 3.887 4.120 -0.000 0.000 0.249 104 V C 2.268 178.490 176.094 0.215 0.000 1.059 104 V CA 1.884 64.308 62.300 0.207 0.000 1.051 104 V CB -0.466 31.536 31.823 0.299 0.000 0.658 104 V HN 0.299 nan 8.190 nan 0.000 0.455 105 L N -0.629 120.695 121.223 0.168 0.000 2.217 105 L HA -0.073 4.267 4.340 -0.000 0.000 0.211 105 L C 2.575 179.500 176.870 0.092 0.000 1.107 105 L CA 1.049 55.976 54.840 0.145 0.000 0.783 105 L CB -0.523 41.589 42.059 0.088 0.000 0.919 105 L HN 0.390 nan 8.230 nan 0.000 0.442 106 E N 0.407 120.653 120.200 0.076 0.000 2.072 106 E HA -0.161 4.188 4.350 -0.000 0.000 0.191 106 E C 2.299 178.934 176.600 0.059 0.000 0.985 106 E CA 0.996 57.430 56.400 0.056 0.000 0.801 106 E CB -0.047 29.683 29.700 0.050 0.000 0.750 106 E HN 0.516 nan 8.360 nan 0.000 0.452 107 L N 0.885 122.155 121.223 0.079 0.000 2.201 107 L HA -0.102 4.238 4.340 -0.000 0.000 0.212 107 L C 2.446 179.348 176.870 0.053 0.000 1.105 107 L CA 0.796 55.677 54.840 0.067 0.000 0.775 107 L CB -0.369 41.737 42.059 0.079 0.000 0.913 107 L HN 0.105 nan 8.230 nan 0.000 0.440 108 V N -5.777 114.177 119.914 0.066 0.000 3.661 108 V HA 0.204 4.324 4.120 -0.000 0.000 0.271 108 V C 0.647 176.734 176.094 -0.010 0.000 1.315 108 V CA -0.267 62.044 62.300 0.019 0.000 1.072 108 V CB -0.110 31.717 31.823 0.006 0.000 0.830 108 V HN 0.067 nan 8.190 nan 0.000 0.443 109 D N 0.894 121.300 120.400 0.011 0.000 2.344 109 D HA 0.311 4.951 4.640 -0.000 0.000 0.244 109 D C 0.231 176.527 176.300 -0.008 0.000 1.134 109 D CA 0.296 54.296 54.000 0.000 0.000 0.930 109 D CB 0.638 41.445 40.800 0.012 0.000 1.175 109 D HN 0.363 nan 8.370 nan 0.000 0.437 110 Q N -0.699 119.094 119.800 -0.013 0.000 2.443 110 Q HA -0.188 4.152 4.340 -0.000 0.000 0.337 110 Q C -0.937 175.044 176.000 -0.031 0.000 1.401 110 Q CA 0.514 56.306 55.803 -0.019 0.000 0.943 110 Q CB -1.254 27.479 28.738 -0.008 0.000 1.177 110 Q HN 0.358 nan 8.270 nan 0.000 0.394 111 L N 0.618 121.811 121.223 -0.051 0.000 2.334 111 L HA 0.560 4.900 4.340 -0.000 0.000 0.270 111 L C 0.736 177.549 176.870 -0.095 0.000 1.018 111 L CA -1.136 53.664 54.840 -0.066 0.000 0.811 111 L CB 1.369 43.381 42.059 -0.077 0.000 1.271 111 L HN 0.387 nan 8.230 nan 0.000 0.443 112 N N -0.914 117.730 118.700 -0.093 0.000 2.502 112 N HA 0.215 4.955 4.740 -0.000 0.000 0.280 112 N C 0.108 175.532 175.510 -0.144 0.000 1.223 112 N CA -0.795 52.187 53.050 -0.114 0.000 0.966 112 N CB 0.621 39.061 38.487 -0.078 0.000 1.203 112 N HN 0.407 nan 8.380 nan 0.000 0.565 113 E N -0.898 119.204 120.200 -0.163 0.000 2.267 113 E HA -0.187 4.163 4.350 -0.000 0.000 0.197 113 E C 0.506 177.040 176.600 -0.110 0.000 0.998 113 E CA 1.034 57.331 56.400 -0.172 0.000 0.830 113 E CB -0.359 29.252 29.700 -0.148 0.000 0.751 113 E HN 0.561 nan 8.360 nan 0.000 0.491 114 N N 0.397 119.047 118.700 -0.083 0.000 2.412 114 N HA -0.030 4.710 4.740 -0.000 0.000 0.184 114 N C -0.577 174.904 175.510 -0.049 0.000 1.101 114 N CA 0.232 53.249 53.050 -0.055 0.000 0.881 114 N CB 0.349 38.811 38.487 -0.042 0.000 0.969 114 N HN 0.067 nan 8.380 nan 0.000 0.459 115 D N -0.813 119.550 120.400 -0.062 0.000 2.294 115 D HA 0.300 4.940 4.640 -0.000 0.000 0.250 115 D C -0.401 175.870 176.300 -0.049 0.000 1.058 115 D CA 0.267 54.237 54.000 -0.050 0.000 0.950 115 D CB 1.485 42.251 40.800 -0.055 0.000 1.158 115 D HN -0.125 nan 8.370 nan 0.000 0.453 116 T N 0.299 114.834 114.554 -0.031 0.000 2.921 116 T HA 0.300 4.650 4.350 -0.000 0.000 0.297 116 T C -0.385 174.309 174.700 -0.011 0.000 1.013 116 T CA -0.570 61.519 62.100 -0.019 0.000 0.990 116 T CB 1.645 70.513 68.868 0.001 0.000 1.023 116 T HN -0.024 nan 8.240 nan 0.000 0.447 117 V N 4.180 124.086 119.914 -0.013 0.000 2.406 117 V HA 0.362 4.481 4.120 -0.000 0.000 0.272 117 V C -0.121 176.020 176.094 0.080 0.000 1.043 117 V CA -0.723 61.585 62.300 0.014 0.000 0.915 117 V CB 1.150 32.949 31.823 -0.040 0.000 0.988 117 V HN 0.678 nan 8.190 nan 0.000 0.466 118 L N 7.014 128.293 121.223 0.093 0.000 2.282 118 L HA 0.467 4.807 4.340 -0.000 0.000 0.287 118 L C -0.745 176.250 176.870 0.209 0.000 1.075 118 L CA 0.061 54.974 54.840 0.122 0.000 0.839 118 L CB 0.256 42.352 42.059 0.061 0.000 1.219 118 L HN 0.508 nan 8.230 nan 0.000 0.434 119 F N 6.421 126.408 119.950 0.062 0.000 2.335 119 F HA 0.438 4.965 4.527 -0.000 0.000 0.365 119 F C -0.717 175.098 175.800 0.024 0.000 1.122 119 F CA -1.152 56.889 58.000 0.069 0.000 1.151 119 F CB 0.422 39.521 39.000 0.165 0.000 1.282 119 F HN 0.313 nan 8.300 nan 0.000 0.513 120 L N 7.413 128.534 121.223 -0.170 0.000 2.259 120 L HA 0.360 4.700 4.340 -0.000 0.000 0.288 120 L C -0.842 175.768 176.870 -0.435 0.000 1.051 120 L CA -0.667 54.033 54.840 -0.233 0.000 0.824 120 L CB 0.987 42.978 42.059 -0.114 0.000 1.206 120 L HN 0.427 nan 8.230 nan 0.000 0.429 121 L N 3.888 124.838 121.223 -0.455 0.000 2.362 121 L HA 0.709 5.049 4.340 -0.000 0.000 0.275 121 L C -0.042 176.674 176.870 -0.257 0.000 0.998 121 L CA 0.236 54.778 54.840 -0.496 0.000 0.820 121 L CB 1.943 43.602 42.059 -0.668 0.000 1.270 121 L HN 0.668 nan 8.230 nan 0.000 0.415 122 S N 1.976 117.550 115.700 -0.211 0.000 2.806 122 S HA 0.859 5.329 4.470 -0.000 0.000 0.306 122 S C 0.078 174.607 174.600 -0.119 0.000 1.167 122 S CA -0.482 57.639 58.200 -0.132 0.000 0.847 122 S CB 0.558 63.699 63.200 -0.099 0.000 1.216 122 S HN 0.913 nan 8.310 nan 0.000 0.532 123 G N -0.942 107.805 108.800 -0.089 0.000 2.562 123 G HA2 0.411 4.370 3.960 -0.000 0.000 0.233 123 G HA3 0.411 4.370 3.960 -0.000 0.000 0.233 123 G C 1.135 175.965 174.900 -0.117 0.000 1.266 123 G CA 0.180 45.237 45.100 -0.072 0.000 0.852 123 G HN 2.154 nan 8.290 nan 0.000 0.581 124 G N -0.071 108.705 108.800 -0.040 0.000 2.175 124 G HA2 -0.081 3.878 3.960 -0.000 0.000 0.244 124 G HA3 -0.081 3.878 3.960 -0.000 0.000 0.244 124 G C 1.412 176.333 174.900 0.035 0.000 0.982 124 G CA 0.889 45.983 45.100 -0.011 0.000 0.641 124 G HN 1.719 nan 8.290 nan 0.000 0.527 125 G N 0.457 109.260 108.800 0.006 0.000 2.470 125 G HA2 0.080 4.040 3.960 -0.000 0.000 0.220 125 G HA3 0.080 4.040 3.960 -0.000 0.000 0.220 125 G C 1.812 176.786 174.900 0.124 0.000 1.121 125 G CA 2.036 47.164 45.100 0.047 0.000 0.766 125 G HN 0.757 nan 8.290 nan 0.000 0.553 126 S N 0.230 115.988 115.700 0.098 0.000 2.383 126 S HA -0.093 4.376 4.470 -0.000 0.000 0.227 126 S C 2.520 177.166 174.600 0.077 0.000 1.026 126 S CA 1.318 59.570 58.200 0.086 0.000 0.981 126 S CB -0.163 63.071 63.200 0.056 0.000 0.818 126 S HN 0.399 nan 8.310 nan 0.000 0.472 127 S N 0.614 116.369 115.700 0.092 0.000 2.406 127 S HA 0.207 4.677 4.470 -0.000 0.000 0.224 127 S C 1.578 176.221 174.600 0.072 0.000 1.030 127 S CA 0.440 58.684 58.200 0.074 0.000 0.958 127 S CB -0.164 63.097 63.200 0.102 0.000 0.811 127 S HN 0.391 nan 8.310 nan 0.000 0.489 128 L N -0.188 121.086 121.223 0.087 0.000 2.509 128 L HA 0.315 4.654 4.340 -0.000 0.000 0.222 128 L C -0.208 176.761 176.870 0.165 0.000 1.123 128 L CA 0.193 55.068 54.840 0.058 0.000 0.856 128 L CB 0.158 42.205 42.059 -0.019 0.000 0.985 128 L HN 0.262 nan 8.230 nan 0.000 0.456 129 F N 0.988 120.919 119.950 -0.033 0.000 2.513 129 F HA 0.559 5.086 4.527 -0.000 0.000 0.358 129 F C -0.447 175.330 175.800 -0.039 0.000 1.118 129 F CA -0.936 57.036 58.000 -0.047 0.000 1.037 129 F CB 0.855 39.826 39.000 -0.049 0.000 1.276 129 F HN -0.174 nan 8.300 nan 0.000 0.446 130 E N 4.412 124.511 120.200 -0.168 0.000 2.431 130 E HA 0.588 4.938 4.350 -0.000 0.000 0.287 130 E C -2.501 174.001 176.600 -0.164 0.000 1.032 130 E CA -0.554 55.736 56.400 -0.183 0.000 0.839 130 E CB 1.546 31.205 29.700 -0.068 0.000 1.218 130 E HN 0.519 nan 8.360 nan 0.000 0.424 131 L N 4.775 125.900 121.223 -0.163 0.000 2.680 131 L HA 0.572 4.912 4.340 -0.000 0.000 0.260 131 L C -2.794 174.024 176.870 -0.087 0.000 0.975 131 L CA -1.222 53.551 54.840 -0.112 0.000 0.920 131 L CB 1.819 43.803 42.059 -0.125 0.000 1.234 131 L HN 0.393 nan 8.230 nan 0.000 0.429 132 P HA 0.090 nan 4.420 nan 0.000 0.269 132 P C -0.412 176.865 177.300 -0.037 0.000 1.211 132 P CA 0.134 63.209 63.100 -0.041 0.000 0.781 132 P CB 0.459 32.143 31.700 -0.027 0.000 0.877 133 L N 0.965 122.172 121.223 -0.028 0.000 2.461 133 L HA 0.046 4.386 4.340 -0.000 0.000 0.272 133 L C 1.278 178.138 176.870 -0.016 0.000 1.197 133 L CA 0.069 54.896 54.840 -0.021 0.000 0.836 133 L CB -0.329 41.723 42.059 -0.012 0.000 1.105 133 L HN 0.379 nan 8.230 nan 0.000 0.477 134 E N 1.941 122.132 120.200 -0.014 0.000 2.820 134 E HA -0.058 4.292 4.350 -0.000 0.000 0.251 134 E C 0.968 177.564 176.600 -0.007 0.000 0.944 134 E CA 1.050 57.444 56.400 -0.011 0.000 0.955 134 E CB 0.175 29.870 29.700 -0.009 0.000 0.904 134 E HN 0.878 nan 8.360 nan 0.000 0.513 135 G N 2.112 110.908 108.800 -0.006 0.000 2.157 135 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.239 135 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.239 135 G C 0.020 174.918 174.900 -0.003 0.000 0.982 135 G CA 0.076 45.174 45.100 -0.004 0.000 0.650 135 G HN 0.441 nan 8.290 nan 0.000 0.527 136 V N 1.382 121.293 119.914 -0.005 0.000 2.555 136 V HA 0.771 4.891 4.120 -0.000 0.000 0.302 136 V C 0.682 176.772 176.094 -0.007 0.000 1.038 136 V CA -0.111 62.186 62.300 -0.004 0.000 0.887 136 V CB 1.818 33.640 31.823 -0.002 0.000 0.991 136 V HN 0.969 nan 8.190 nan 0.000 0.434 137 S N 4.057 119.753 115.700 -0.005 0.000 2.617 137 S HA 0.418 4.888 4.470 -0.000 0.000 0.283 137 S C 0.801 175.396 174.600 -0.008 0.000 1.189 137 S CA -0.511 57.685 58.200 -0.007 0.000 1.036 137 S CB 1.480 64.677 63.200 -0.005 0.000 1.014 137 S HN 0.610 nan 8.310 nan 0.000 0.522 138 L N 1.777 122.994 121.223 -0.009 0.000 2.043 138 L HA -0.082 4.258 4.340 -0.000 0.000 0.212 138 L C 2.267 179.133 176.870 -0.006 0.000 1.075 138 L CA 2.092 56.926 54.840 -0.009 0.000 0.752 138 L CB -0.853 41.201 42.059 -0.008 0.000 0.891 138 L HN 0.836 nan 8.230 nan 0.000 0.432 139 E N -0.137 120.060 120.200 -0.005 0.000 2.077 139 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 139 E C 2.159 178.757 176.600 -0.004 0.000 0.989 139 E CA 1.497 57.895 56.400 -0.004 0.000 0.800 139 E CB -0.203 29.495 29.700 -0.003 0.000 0.746 139 E HN 0.584 nan 8.360 nan 0.000 0.452 140 E N -0.079 120.119 120.200 -0.003 0.000 2.077 140 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 140 E C 2.095 178.694 176.600 -0.002 0.000 0.989 140 E CA 0.851 57.250 56.400 -0.002 0.000 0.800 140 E CB -0.138 29.562 29.700 -0.000 0.000 0.746 140 E HN 0.243 nan 8.360 nan 0.000 0.452 141 I N 1.031 121.599 120.570 -0.004 0.000 2.113 141 I HA -0.336 3.834 4.170 -0.000 0.000 0.238 141 I C 2.523 178.635 176.117 -0.008 0.000 1.070 141 I CA 1.318 62.615 61.300 -0.005 0.000 1.332 141 I CB -0.237 37.759 38.000 -0.007 0.000 1.044 141 I HN 0.113 nan 8.210 nan 0.000 0.402 142 Q N 0.602 120.396 119.800 -0.009 0.000 2.082 142 Q HA -0.299 4.041 4.340 -0.000 0.000 0.211 142 Q C 2.260 178.252 176.000 -0.013 0.000 1.002 142 Q CA 1.971 57.766 55.803 -0.012 0.000 0.868 142 Q CB -0.204 28.528 28.738 -0.010 0.000 0.931 142 Q HN 0.427 nan 8.270 nan 0.000 0.414 143 K N 0.255 120.649 120.400 -0.010 0.000 2.097 143 K HA -0.101 4.218 4.320 -0.000 0.000 0.205 143 K C 2.154 178.747 176.600 -0.011 0.000 1.050 143 K CA 0.858 57.139 56.287 -0.009 0.000 0.938 143 K CB -0.131 32.365 32.500 -0.005 0.000 0.718 143 K HN 0.222 nan 8.250 nan 0.000 0.442 144 L N 0.693 121.911 121.223 -0.008 0.000 2.056 144 L HA -0.178 4.162 4.340 -0.000 0.000 0.207 144 L C 2.397 179.255 176.870 -0.019 0.000 1.078 144 L CA 1.271 56.107 54.840 -0.008 0.000 0.749 144 L CB -0.605 41.454 42.059 0.000 0.000 0.901 144 L HN 0.228 nan 8.230 nan 0.000 0.433 145 T N -1.477 113.064 114.554 -0.022 0.000 2.652 145 T HA -0.243 4.107 4.350 -0.000 0.000 0.267 145 T C 2.105 176.778 174.700 -0.045 0.000 1.039 145 T CA 1.879 63.959 62.100 -0.032 0.000 1.153 145 T CB -0.273 68.579 68.868 -0.027 0.000 0.863 145 T HN 0.254 nan 8.240 nan 0.000 0.428 146 S N 0.686 116.365 115.700 -0.036 0.000 2.368 146 S HA -0.060 4.410 4.470 -0.000 0.000 0.225 146 S C 2.396 176.971 174.600 -0.042 0.000 1.030 146 S CA 1.269 59.447 58.200 -0.037 0.000 0.999 146 S CB -0.581 62.603 63.200 -0.027 0.000 0.844 146 S HN 0.518 nan 8.310 nan 0.000 0.459 147 A N 1.237 124.036 122.820 -0.035 0.000 1.908 147 A HA -0.009 4.310 4.320 -0.000 0.000 0.218 147 A C 2.208 179.751 177.584 -0.068 0.000 1.181 147 A CA 1.479 53.495 52.037 -0.034 0.000 0.627 147 A CB -0.758 18.233 19.000 -0.015 0.000 0.818 147 A HN 0.571 nan 8.150 nan 0.000 0.445 148 L N -0.929 120.236 121.223 -0.096 0.000 2.027 148 L HA -0.145 4.195 4.340 -0.000 0.000 0.206 148 L C 2.602 179.337 176.870 -0.226 0.000 1.074 148 L CA 0.955 55.677 54.840 -0.196 0.000 0.745 148 L CB -0.511 41.445 42.059 -0.171 0.000 0.898 148 L HN 0.379 nan 8.230 nan 0.000 0.433 149 L N -0.223 120.917 121.223 -0.138 0.000 1.971 149 L HA -0.299 4.040 4.340 -0.000 0.000 0.215 149 L C 2.672 179.484 176.870 -0.096 0.000 1.072 149 L CA 1.667 56.441 54.840 -0.110 0.000 0.758 149 L CB -0.570 41.446 42.059 -0.071 0.000 0.889 149 L HN 0.185 nan 8.230 nan 0.000 0.433 150 K N -0.545 119.811 120.400 -0.072 0.000 2.103 150 K HA -0.139 4.181 4.320 -0.000 0.000 0.207 150 K C 2.052 178.624 176.600 -0.047 0.000 1.048 150 K CA 1.649 57.908 56.287 -0.047 0.000 0.930 150 K CB -0.204 32.278 32.500 -0.030 0.000 0.716 150 K HN 0.196 nan 8.250 nan 0.000 0.444 151 S N -0.449 115.204 115.700 -0.079 0.000 2.561 151 S HA 0.042 4.511 4.470 -0.000 0.000 0.225 151 S C 0.922 175.480 174.600 -0.071 0.000 0.977 151 S CA 0.728 58.901 58.200 -0.045 0.000 0.926 151 S CB 0.381 63.562 63.200 -0.033 0.000 0.769 151 S HN 0.604 nan 8.310 nan 0.000 0.533 152 G N 1.373 110.091 108.800 -0.137 0.000 2.204 152 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.244 152 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.244 152 G C 0.044 174.839 174.900 -0.174 0.000 1.062 152 G CA -0.129 44.919 45.100 -0.087 0.000 0.798 152 G HN 0.776 nan 8.290 nan 0.000 0.496 153 A N 0.022 122.586 122.820 -0.427 0.000 2.351 153 A HA 0.818 5.138 4.320 -0.000 0.000 0.257 153 A C 1.112 178.608 177.584 -0.147 0.000 1.087 153 A CA 0.741 52.486 52.037 -0.486 0.000 0.798 153 A CB 0.459 19.059 19.000 -0.666 0.000 1.033 153 A HN 2.019 nan 8.150 nan 0.000 0.488 154 S N 0.828 116.509 115.700 -0.032 0.000 2.617 154 S HA 0.287 4.757 4.470 -0.000 0.000 0.269 154 S C 1.000 175.594 174.600 -0.010 0.000 1.292 154 S CA 0.000 58.201 58.200 0.002 0.000 1.010 154 S CB 0.607 63.833 63.200 0.043 0.000 0.944 154 S HN 0.954 nan 8.310 nan 0.000 0.536 155 I N 0.965 121.533 120.570 -0.004 0.000 2.335 155 I HA -0.116 4.054 4.170 -0.000 0.000 0.251 155 I C 1.969 178.094 176.117 0.013 0.000 1.129 155 I CA 1.713 63.011 61.300 -0.003 0.000 1.402 155 I CB -0.552 37.447 38.000 -0.001 0.000 1.069 155 I HN 0.802 nan 8.210 nan 0.000 0.424 156 E N 0.490 120.705 120.200 0.025 0.000 2.106 156 E HA -0.182 4.167 4.350 -0.000 0.000 0.192 156 E C 2.119 178.751 176.600 0.053 0.000 0.984 156 E CA 1.409 57.835 56.400 0.042 0.000 0.806 156 E CB -0.192 29.536 29.700 0.047 0.000 0.750 156 E HN 0.588 nan 8.360 nan 0.000 0.458 157 E N 0.143 120.375 120.200 0.052 0.000 2.072 157 E HA -0.101 4.248 4.350 -0.000 0.000 0.190 157 E C 2.042 178.667 176.600 0.042 0.000 0.982 157 E CA 0.681 57.121 56.400 0.068 0.000 0.803 157 E CB -0.069 29.699 29.700 0.113 0.000 0.755 157 E HN 0.252 nan 8.360 nan 0.000 0.453 158 I N 1.517 122.091 120.570 0.006 0.000 2.226 158 I HA -0.277 3.892 4.170 -0.000 0.000 0.245 158 I C 2.331 178.464 176.117 0.027 0.000 1.100 158 I CA 0.833 62.130 61.300 -0.005 0.000 1.374 158 I CB -0.264 37.719 38.000 -0.028 0.000 1.057 158 I HN 0.110 nan 8.210 nan 0.000 0.413 159 N N 0.574 119.297 118.700 0.038 0.000 2.120 159 N HA -0.156 4.583 4.740 -0.000 0.000 0.188 159 N C 1.795 177.359 175.510 0.091 0.000 1.024 159 N CA 1.845 54.928 53.050 0.056 0.000 0.852 159 N CB -0.284 38.235 38.487 0.054 0.000 1.003 159 N HN 0.183 nan 8.380 nan 0.000 0.424 160 T N -0.064 114.553 114.554 0.105 0.000 2.665 160 T HA -0.109 4.241 4.350 -0.000 0.000 0.268 160 T C 1.944 176.769 174.700 0.208 0.000 1.035 160 T CA 1.533 63.729 62.100 0.160 0.000 1.151 160 T CB -0.408 68.525 68.868 0.108 0.000 0.862 160 T HN 0.014 nan 8.240 nan 0.000 0.438 161 V N 1.366 121.350 119.914 0.116 0.000 2.307 161 V HA -0.119 4.001 4.120 -0.000 0.000 0.245 161 V C 2.759 178.921 176.094 0.112 0.000 1.045 161 V CA 1.406 63.766 62.300 0.100 0.000 1.024 161 V CB -0.488 31.367 31.823 0.054 0.000 0.651 161 V HN 0.259 nan 8.190 nan 0.000 0.449 162 R N 0.609 121.156 120.500 0.078 0.000 2.105 162 R HA -0.127 4.213 4.340 -0.000 0.000 0.239 162 R C 2.231 178.559 176.300 0.047 0.000 1.135 162 R CA 1.346 57.477 56.100 0.051 0.000 0.967 162 R CB -0.558 29.761 30.300 0.032 0.000 0.861 162 R HN 0.538 nan 8.270 nan 0.000 0.442 163 K N -0.750 119.686 120.400 0.060 0.000 2.211 163 K HA -0.114 4.205 4.320 -0.000 0.000 0.203 163 K C 1.445 177.979 176.600 -0.111 0.000 1.050 163 K CA 1.148 57.421 56.287 -0.024 0.000 0.945 163 K CB -0.135 32.341 32.500 -0.041 0.000 0.732 163 K HN 0.350 nan 8.250 nan 0.000 0.451 164 H N -0.379 118.697 119.070 0.010 0.000 2.539 164 H HA 0.159 4.715 4.556 -0.000 0.000 0.267 164 H C 0.847 176.174 175.328 -0.003 0.000 0.982 164 H CA 0.374 56.425 56.048 0.004 0.000 1.146 164 H CB 0.264 30.031 29.762 0.008 0.000 1.382 164 H HN -0.005 nan 8.280 nan 0.000 0.577 165 L N -0.802 120.461 121.223 0.067 0.000 2.808 165 L HA 0.237 4.577 4.340 -0.000 0.000 0.246 165 L C 0.333 177.199 176.870 -0.007 0.000 1.153 165 L CA -0.123 54.735 54.840 0.031 0.000 0.956 165 L CB 0.694 42.770 42.059 0.029 0.000 1.270 165 L HN -0.004 nan 8.230 nan 0.000 0.528 166 S N -0.875 114.808 115.700 -0.028 0.000 2.548 166 S HA 0.323 4.793 4.470 -0.000 0.000 0.286 166 S C 0.318 174.875 174.600 -0.072 0.000 1.098 166 S CA -0.508 57.658 58.200 -0.057 0.000 0.930 166 S CB 1.968 65.130 63.200 -0.063 0.000 1.070 166 S HN 0.211 nan 8.310 nan 0.000 0.480 167 Q N 1.666 121.410 119.800 -0.093 0.000 2.425 167 Q HA 0.084 4.424 4.340 -0.000 0.000 0.204 167 Q C 1.350 177.290 176.000 -0.100 0.000 0.933 167 Q CA 0.812 56.564 55.803 -0.086 0.000 0.939 167 Q CB 0.352 29.041 28.738 -0.082 0.000 1.044 167 Q HN 0.694 nan 8.270 nan 0.000 0.513 168 V N -4.089 115.730 119.914 -0.157 0.000 3.350 168 V HA 0.206 4.326 4.120 -0.000 0.000 0.246 168 V C 0.620 176.685 176.094 -0.050 0.000 1.363 168 V CA -0.289 61.906 62.300 -0.176 0.000 1.162 168 V CB 0.226 31.649 31.823 -0.667 0.000 0.947 168 V HN -0.086 nan 8.190 nan 0.000 0.454 169 K N 1.469 121.835 120.400 -0.056 0.000 2.132 169 K HA 0.430 4.750 4.320 -0.000 0.000 0.240 169 K C 1.133 177.744 176.600 0.017 0.000 1.036 169 K CA 0.432 56.731 56.287 0.020 0.000 0.888 169 K CB -0.122 32.382 32.500 0.006 0.000 1.071 169 K HN 0.855 nan 8.250 nan 0.000 0.502 170 G N -0.247 108.580 108.800 0.045 0.000 2.249 170 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.273 170 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.273 170 G C 0.794 175.698 174.900 0.006 0.000 1.036 170 G CA 1.161 46.266 45.100 0.008 0.000 0.824 170 G HN 1.100 nan 8.290 nan 0.000 0.504 171 G N -1.390 107.455 108.800 0.075 0.000 2.179 171 G HA2 -0.342 3.617 3.960 -0.000 0.000 0.260 171 G HA3 -0.342 3.617 3.960 -0.000 0.000 0.260 171 G C 1.212 176.122 174.900 0.017 0.000 0.977 171 G CA 1.230 46.360 45.100 0.050 0.000 0.641 171 G HN 0.912 nan 8.290 nan 0.000 0.533 172 R N -1.070 119.442 120.500 0.020 0.000 2.115 172 R HA 0.102 4.442 4.340 -0.000 0.000 0.230 172 R C 2.225 178.559 176.300 0.056 0.000 1.111 172 R CA 1.356 57.456 56.100 -0.001 0.000 0.976 172 R CB -0.341 29.943 30.300 -0.026 0.000 0.870 172 R HN 0.440 nan 8.270 nan 0.000 0.445 173 F N 1.670 121.588 119.950 -0.053 0.000 2.095 173 F HA -0.186 4.340 4.527 -0.000 0.000 0.298 173 F C 2.234 178.004 175.800 -0.051 0.000 1.104 173 F CA 1.408 59.380 58.000 -0.047 0.000 1.232 173 F CB -0.564 38.437 39.000 0.001 0.000 0.987 173 F HN -0.029 nan 8.300 nan 0.000 0.475 174 A N -0.317 122.406 122.820 -0.162 0.000 1.972 174 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 174 A C 2.224 179.727 177.584 -0.135 0.000 1.169 174 A CA 1.681 53.587 52.037 -0.219 0.000 0.635 174 A CB -1.001 17.959 19.000 -0.067 0.000 0.810 174 A HN 0.602 nan 8.150 nan 0.000 0.446 175 E N -0.593 119.548 120.200 -0.099 0.000 2.150 175 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 175 E C 2.078 178.656 176.600 -0.037 0.000 0.985 175 E CA 0.752 57.100 56.400 -0.087 0.000 0.814 175 E CB -0.025 29.607 29.700 -0.113 0.000 0.752 175 E HN 0.408 nan 8.360 nan 0.000 0.466 176 R N 0.096 120.554 120.500 -0.071 0.000 2.119 176 R HA -0.002 4.338 4.340 -0.000 0.000 0.222 176 R C 2.353 178.603 176.300 -0.085 0.000 1.088 176 R CA 0.657 56.728 56.100 -0.049 0.000 0.984 176 R CB -0.325 29.961 30.300 -0.024 0.000 0.884 176 R HN 0.176 nan 8.270 nan 0.000 0.447 177 V N 1.210 120.994 119.914 -0.217 0.000 2.407 177 V HA -0.167 3.953 4.120 -0.000 0.000 0.248 177 V C 1.247 177.283 176.094 -0.096 0.000 1.055 177 V CA 0.623 62.783 62.300 -0.233 0.000 1.049 177 V CB -0.565 31.006 31.823 -0.421 0.000 0.662 177 V HN 0.083 nan 8.190 nan 0.000 0.455 178 F N 3.294 123.149 119.950 -0.159 0.000 2.623 178 F HA 0.016 4.543 4.527 -0.000 0.000 0.381 178 F C -0.697 175.055 175.800 -0.080 0.000 1.081 178 F CA -1.381 56.556 58.000 -0.104 0.000 1.293 178 F CB 0.543 39.489 39.000 -0.091 0.000 1.006 178 F HN 0.075 nan 8.300 nan 0.000 0.578 179 P HA 0.087 nan 4.420 nan 0.000 0.249 179 P C -0.295 176.603 177.300 -0.671 0.000 1.229 179 P CA 0.396 62.670 63.100 -1.378 0.000 0.788 179 P CB -0.253 30.842 31.700 -1.009 0.000 1.072 180 A N 0.737 123.350 122.820 -0.344 0.000 2.386 180 A HA 0.159 4.479 4.320 -0.000 0.000 0.246 180 A C 0.480 177.971 177.584 -0.156 0.000 1.089 180 A CA -0.132 51.781 52.037 -0.207 0.000 0.790 180 A CB 0.042 18.956 19.000 -0.144 0.000 1.042 180 A HN 0.022 nan 8.150 nan 0.000 0.497 181 K N 0.318 120.659 120.400 -0.098 0.000 2.144 181 K HA 0.499 4.819 4.320 -0.000 0.000 0.270 181 K C -1.291 175.289 176.600 -0.034 0.000 1.005 181 K CA -0.335 55.926 56.287 -0.043 0.000 0.932 181 K CB 0.902 33.392 32.500 -0.016 0.000 1.021 181 K HN 0.389 nan 8.250 nan 0.000 0.462 182 V N 4.393 124.303 119.914 -0.007 0.000 2.370 182 V HA 0.236 4.356 4.120 -0.000 0.000 0.283 182 V C -0.605 175.548 176.094 0.098 0.000 1.023 182 V CA -0.838 61.474 62.300 0.020 0.000 0.857 182 V CB 1.603 33.419 31.823 -0.011 0.000 0.985 182 V HN 0.464 nan 8.190 nan 0.000 0.443 183 V N 4.781 124.777 119.914 0.136 0.000 2.313 183 V HA 0.697 4.817 4.120 -0.000 0.000 0.278 183 V C 0.429 176.669 176.094 0.243 0.000 1.017 183 V CA -0.551 61.863 62.300 0.189 0.000 0.823 183 V CB 1.348 33.269 31.823 0.164 0.000 1.010 183 V HN 0.919 nan 8.190 nan 0.000 0.443 184 A N 6.480 129.466 122.820 0.276 0.000 2.292 184 A HA 0.855 5.175 4.320 -0.000 0.000 0.319 184 A C -0.577 177.127 177.584 0.200 0.000 1.206 184 A CA -0.494 51.705 52.037 0.270 0.000 0.835 184 A CB 0.646 19.844 19.000 0.329 0.000 1.164 184 A HN 0.800 nan 8.150 nan 0.000 0.505 185 L N 3.445 124.727 121.223 0.098 0.000 2.287 185 L HA 0.496 4.836 4.340 -0.000 0.000 0.287 185 L C -0.876 175.975 176.870 -0.031 0.000 1.022 185 L CA -0.761 54.114 54.840 0.058 0.000 0.814 185 L CB 1.474 43.551 42.059 0.030 0.000 1.217 185 L HN 0.410 nan 8.230 nan 0.000 0.420 186 V N 4.583 124.490 119.914 -0.011 0.000 2.495 186 V HA 0.361 4.481 4.120 -0.000 0.000 0.298 186 V C -0.373 175.698 176.094 -0.038 0.000 1.031 186 V CA -0.597 61.669 62.300 -0.057 0.000 0.871 186 V CB 2.525 34.322 31.823 -0.043 0.000 0.988 186 V HN 0.403 nan 8.190 nan 0.000 0.432 187 L N 4.801 125.990 121.223 -0.058 0.000 2.313 187 L HA 0.523 4.862 4.340 -0.000 0.000 0.273 187 L C 0.249 177.096 176.870 -0.039 0.000 1.028 187 L CA 0.184 55.004 54.840 -0.034 0.000 0.871 187 L CB 1.071 43.110 42.059 -0.033 0.000 1.242 187 L HN 0.711 nan 8.230 nan 0.000 0.434 188 S N 2.577 118.260 115.700 -0.029 0.000 2.465 188 S HA 0.290 4.760 4.470 -0.000 0.000 0.279 188 S C 0.655 175.242 174.600 -0.021 0.000 1.201 188 S CA -0.405 57.775 58.200 -0.034 0.000 1.053 188 S CB 0.434 63.612 63.200 -0.038 0.000 0.953 188 S HN 0.681 nan 8.310 nan 0.000 0.488 189 D N 3.803 124.190 120.400 -0.022 0.000 2.363 189 D HA 0.077 4.717 4.640 -0.000 0.000 0.214 189 D C -0.004 176.289 176.300 -0.011 0.000 1.093 189 D CA -0.088 53.905 54.000 -0.011 0.000 0.837 189 D CB -0.005 40.791 40.800 -0.007 0.000 0.948 189 D HN 0.301 nan 8.370 nan 0.000 0.507 190 V N 1.590 121.491 119.914 -0.021 0.000 2.394 190 V HA 0.198 4.318 4.120 -0.000 0.000 0.282 190 V C 0.120 176.199 176.094 -0.025 0.000 1.031 190 V CA -1.085 61.201 62.300 -0.024 0.000 0.881 190 V CB 1.500 33.301 31.823 -0.037 0.000 0.982 190 V HN 0.106 nan 8.190 nan 0.000 0.451 191 L N 5.262 126.474 121.223 -0.018 0.000 2.477 191 L HA 0.522 4.862 4.340 -0.000 0.000 0.272 191 L C 1.196 178.052 176.870 -0.024 0.000 1.157 191 L CA 1.874 56.704 54.840 -0.016 0.000 0.889 191 L CB 0.256 42.309 42.059 -0.010 0.000 1.158 191 L HN 0.990 nan 8.230 nan 0.000 0.473 192 G N 2.643 111.428 108.800 -0.025 0.000 2.157 192 G HA2 -0.261 3.698 3.960 -0.000 0.000 0.248 192 G HA3 -0.261 3.698 3.960 -0.000 0.000 0.248 192 G C 0.272 175.141 174.900 -0.052 0.000 0.979 192 G CA 0.025 45.106 45.100 -0.032 0.000 0.650 192 G HN 0.854 nan 8.290 nan 0.000 0.529 193 D N -0.603 119.763 120.400 -0.056 0.000 2.704 193 D HA -0.169 4.470 4.640 -0.000 0.000 0.232 193 D C 0.609 176.830 176.300 -0.131 0.000 1.183 193 D CA 1.233 55.185 54.000 -0.080 0.000 0.647 193 D CB -0.507 40.252 40.800 -0.067 0.000 1.013 193 D HN 0.618 nan 8.370 nan 0.000 0.415 194 R N 0.604 121.024 120.500 -0.133 0.000 2.248 194 R HA 0.203 4.543 4.340 -0.000 0.000 0.337 194 R C 1.599 177.728 176.300 -0.285 0.000 1.085 194 R CA -0.308 55.678 56.100 -0.191 0.000 0.934 194 R CB 0.439 30.666 30.300 -0.121 0.000 1.034 194 R HN 0.289 nan 8.270 nan 0.000 0.465 195 L N 1.880 122.791 121.223 -0.519 0.000 2.465 195 L HA -0.146 4.194 4.340 -0.000 0.000 0.224 195 L C 1.633 178.114 176.870 -0.648 0.000 1.145 195 L CA 0.860 55.311 54.840 -0.649 0.000 0.834 195 L CB -0.213 41.223 42.059 -1.038 0.000 0.944 195 L HN 0.535 nan 8.230 nan 0.000 0.451 196 D N -0.933 119.097 120.400 -0.617 0.000 2.347 196 D HA -0.075 4.565 4.640 -0.000 0.000 0.213 196 D C 1.732 178.001 176.300 -0.051 0.000 0.985 196 D CA 0.642 54.512 54.000 -0.217 0.000 0.879 196 D CB 0.067 40.855 40.800 -0.021 0.000 0.919 196 D HN 0.207 nan 8.370 nan 0.000 0.526 197 V N 0.452 120.310 119.914 -0.092 0.000 2.908 197 V HA 0.151 4.271 4.120 -0.000 0.000 0.240 197 V C 1.330 177.410 176.094 -0.024 0.000 1.117 197 V CA -0.243 62.036 62.300 -0.035 0.000 1.133 197 V CB 0.263 32.061 31.823 -0.042 0.000 0.857 197 V HN 0.058 nan 8.190 nan 0.000 0.478 198 I N 2.168 122.705 120.570 -0.055 0.000 2.769 198 I HA 0.087 4.257 4.170 -0.000 0.000 0.285 198 I C 1.299 177.428 176.117 0.020 0.000 1.173 198 I CA 0.947 62.228 61.300 -0.032 0.000 1.389 198 I CB 0.141 38.101 38.000 -0.066 0.000 1.404 198 I HN 0.415 nan 8.210 nan 0.000 0.544 199 A N 4.293 127.136 122.820 0.038 0.000 2.861 199 A HA -0.285 4.035 4.320 -0.000 0.000 0.261 199 A C 1.084 178.735 177.584 0.111 0.000 1.351 199 A CA 0.847 52.937 52.037 0.088 0.000 0.904 199 A CB -1.922 17.151 19.000 0.122 0.000 1.076 199 A HN 0.998 nan 8.150 nan 0.000 0.729 200 S N -2.865 112.881 115.700 0.077 0.000 3.641 200 S HA 0.071 4.540 4.470 -0.000 0.000 0.346 200 S C 2.091 176.766 174.600 0.125 0.000 1.074 200 S CA 1.510 59.759 58.200 0.082 0.000 1.026 200 S CB -1.996 61.245 63.200 0.068 0.000 0.908 200 S HN 2.756 nan 8.310 nan 0.000 0.479 201 G N 1.026 109.914 108.800 0.148 0.000 2.359 201 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.298 201 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.298 201 G C -0.821 174.252 174.900 0.288 0.000 1.030 201 G CA 0.024 45.267 45.100 0.238 0.000 1.149 201 G HN 0.542 nan 8.290 nan 0.000 0.512 202 P HA 0.085 nan 4.420 nan 0.000 0.221 202 P C 1.007 178.529 177.300 0.369 0.000 1.150 202 P CA 1.806 65.114 63.100 0.347 0.000 0.800 202 P CB 0.393 32.370 31.700 0.461 0.000 0.787 203 A N -1.012 122.049 122.820 0.403 0.000 3.154 203 A HA 0.336 4.656 4.320 -0.000 0.000 0.310 203 A C -0.760 177.050 177.584 0.376 0.000 1.093 203 A CA -0.590 51.636 52.037 0.314 0.000 1.006 203 A CB -0.632 18.563 19.000 0.325 0.000 1.084 203 A HN 0.221 nan 8.150 nan 0.000 0.549 204 W N 2.176 123.532 121.300 0.094 0.000 3.129 204 W HA 0.388 5.048 4.660 -0.000 0.000 0.333 204 W C -3.170 173.367 176.519 0.030 0.000 1.141 204 W CA -2.209 55.173 57.345 0.061 0.000 1.224 204 W CB 2.367 31.868 29.460 0.069 0.000 1.393 204 W HN 0.167 nan 8.180 nan 0.000 0.499 205 P HA -0.012 nan 4.420 nan 0.000 0.269 205 P C -0.650 176.621 177.300 -0.049 0.000 1.209 205 P CA 0.323 63.266 63.100 -0.263 0.000 0.776 205 P CB 1.135 32.613 31.700 -0.369 0.000 0.876 206 D N 1.024 121.414 120.400 -0.017 0.000 2.412 206 D HA 0.111 4.751 4.640 -0.000 0.000 0.224 206 D C 1.224 177.554 176.300 0.050 0.000 1.093 206 D CA -0.452 53.577 54.000 0.048 0.000 0.850 206 D CB 0.594 41.384 40.800 -0.017 0.000 1.046 206 D HN 0.182 nan 8.370 nan 0.000 0.507 207 S N 1.988 117.741 115.700 0.089 0.000 2.453 207 S HA -0.061 4.409 4.470 -0.000 0.000 0.231 207 S C 1.046 175.704 174.600 0.097 0.000 1.005 207 S CA 0.228 58.476 58.200 0.079 0.000 0.949 207 S CB -0.437 62.815 63.200 0.086 0.000 0.774 207 S HN 0.439 nan 8.310 nan 0.000 0.510 208 S N 1.900 117.681 115.700 0.135 0.000 2.593 208 S HA 0.468 4.938 4.470 -0.000 0.000 0.269 208 S C 0.244 174.980 174.600 0.227 0.000 1.334 208 S CA -0.127 58.170 58.200 0.161 0.000 1.015 208 S CB 0.690 64.001 63.200 0.186 0.000 0.912 208 S HN 0.650 nan 8.310 nan 0.000 0.541 209 T N -0.800 113.815 114.554 0.101 0.000 2.949 209 T HA 0.483 4.833 4.350 -0.000 0.000 0.287 209 T C 1.168 175.699 174.700 -0.283 0.000 1.034 209 T CA -0.508 61.624 62.100 0.052 0.000 1.018 209 T CB 1.029 69.907 68.868 0.016 0.000 1.135 209 T HN 0.496 nan 8.240 nan 0.000 0.532 210 S N -0.029 115.544 115.700 -0.212 0.000 2.370 210 S HA -0.148 4.322 4.470 -0.000 0.000 0.226 210 S C 1.811 176.276 174.600 -0.225 0.000 1.033 210 S CA 1.611 59.621 58.200 -0.316 0.000 1.011 210 S CB -0.583 62.579 63.200 -0.063 0.000 0.852 210 S HN 0.878 nan 8.310 nan 0.000 0.457 211 E N 0.941 121.068 120.200 -0.121 0.000 2.058 211 E HA -0.228 4.122 4.350 -0.000 0.000 0.194 211 E C 1.378 177.924 176.600 -0.090 0.000 0.997 211 E CA 1.484 57.836 56.400 -0.080 0.000 0.801 211 E CB -0.102 29.572 29.700 -0.043 0.000 0.746 211 E HN 0.396 nan 8.360 nan 0.000 0.450 212 D N 0.211 120.551 120.400 -0.101 0.000 2.104 212 D HA -0.198 4.442 4.640 -0.000 0.000 0.194 212 D C 1.848 178.093 176.300 -0.091 0.000 0.994 212 D CA 1.431 55.388 54.000 -0.072 0.000 0.830 212 D CB -0.376 40.400 40.800 -0.041 0.000 0.959 212 D HN 0.309 nan 8.370 nan 0.000 0.452 213 A N 0.946 123.648 122.820 -0.198 0.000 1.877 213 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 213 A C 2.467 180.010 177.584 -0.068 0.000 1.186 213 A CA 0.991 52.938 52.037 -0.150 0.000 0.620 213 A CB -0.813 18.015 19.000 -0.286 0.000 0.822 213 A HN 0.200 nan 8.150 nan 0.000 0.443 214 L N -0.827 120.348 121.223 -0.080 0.000 2.093 214 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 214 L C 2.502 179.359 176.870 -0.021 0.000 1.085 214 L CA 1.440 56.257 54.840 -0.039 0.000 0.755 214 L CB -0.456 41.578 42.059 -0.043 0.000 0.904 214 L HN 0.365 nan 8.230 nan 0.000 0.435 215 K N -0.263 120.120 120.400 -0.028 0.000 2.148 215 K HA -0.101 4.219 4.320 -0.000 0.000 0.204 215 K C 2.074 178.669 176.600 -0.007 0.000 1.050 215 K CA 0.930 57.204 56.287 -0.022 0.000 0.942 215 K CB -0.131 32.353 32.500 -0.027 0.000 0.724 215 K HN 0.126 nan 8.250 nan 0.000 0.446 216 V N 2.145 122.076 119.914 0.028 0.000 2.261 216 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 216 V C 2.305 178.494 176.094 0.158 0.000 1.047 216 V CA 1.644 64.011 62.300 0.111 0.000 1.015 216 V CB -0.457 31.448 31.823 0.137 0.000 0.642 216 V HN 0.260 nan 8.190 nan 0.000 0.446 217 L N 0.091 121.375 121.223 0.102 0.000 2.012 217 L HA -0.257 4.083 4.340 -0.000 0.000 0.210 217 L C 2.672 179.583 176.870 0.068 0.000 1.073 217 L CA 2.347 57.244 54.840 0.096 0.000 0.748 217 L CB -0.734 41.354 42.059 0.049 0.000 0.891 217 L HN 0.534 nan 8.230 nan 0.000 0.431 218 E N 0.983 121.197 120.200 0.023 0.000 2.051 218 E HA -0.315 4.035 4.350 -0.000 0.000 0.192 218 E C 2.227 178.802 176.600 -0.042 0.000 0.991 218 E CA 1.627 58.023 56.400 -0.006 0.000 0.799 218 E CB -0.075 29.613 29.700 -0.020 0.000 0.748 218 E HN 0.339 nan 8.360 nan 0.000 0.449 219 K N -0.583 119.762 120.400 -0.091 0.000 2.074 219 K HA -0.189 4.131 4.320 -0.000 0.000 0.209 219 K C 1.165 177.540 176.600 -0.376 0.000 1.048 219 K CA 1.733 57.859 56.287 -0.269 0.000 0.926 219 K CB -0.159 32.095 32.500 -0.409 0.000 0.713 219 K HN 0.267 nan 8.250 nan 0.000 0.444 220 Y N -0.323 119.975 120.300 -0.003 0.000 2.493 220 Y HA 0.251 4.801 4.550 -0.000 0.000 0.275 220 Y C 1.003 176.902 175.900 -0.002 0.000 1.183 220 Y CA 0.157 58.256 58.100 -0.002 0.000 1.258 220 Y CB 0.724 39.183 38.460 -0.001 0.000 1.108 220 Y HN 0.260 nan 8.280 nan 0.000 0.521 221 G N 1.432 110.277 108.800 0.075 0.000 2.305 221 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.287 221 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.287 221 G C -0.081 174.854 174.900 0.059 0.000 1.036 221 G CA 0.089 45.219 45.100 0.049 0.000 0.887 221 G HN 0.409 nan 8.290 nan 0.000 0.505 222 I N 1.130 121.743 120.570 0.073 0.000 2.301 222 I HA 0.531 4.701 4.170 -0.000 0.000 0.292 222 I C 0.944 177.081 176.117 0.034 0.000 1.046 222 I CA 0.180 61.512 61.300 0.053 0.000 1.282 222 I CB 0.738 38.773 38.000 0.058 0.000 1.409 222 I HN 0.390 nan 8.210 nan 0.000 0.484 223 E N 4.773 124.987 120.200 0.023 0.000 2.373 223 E HA 0.489 4.838 4.350 -0.000 0.000 0.267 223 E C 0.039 176.647 176.600 0.013 0.000 1.032 223 E CA -0.372 56.038 56.400 0.016 0.000 0.889 223 E CB 0.689 30.396 29.700 0.012 0.000 0.984 223 E HN 0.654 nan 8.360 nan 0.000 0.425 224 T N -1.624 112.936 114.554 0.011 0.000 2.900 224 T HA 0.625 4.975 4.350 -0.000 0.000 0.303 224 T C 0.404 175.107 174.700 0.006 0.000 1.142 224 T CA -0.134 61.972 62.100 0.009 0.000 1.007 224 T CB 1.050 69.924 68.868 0.011 0.000 1.156 224 T HN 0.986 nan 8.240 nan 0.000 0.490 225 S N 0.583 116.286 115.700 0.005 0.000 2.598 225 S HA 0.444 4.914 4.470 -0.000 0.000 0.256 225 S C 1.708 176.310 174.600 0.004 0.000 1.350 225 S CA 0.167 58.370 58.200 0.004 0.000 0.984 225 S CB -0.334 62.868 63.200 0.003 0.000 0.930 225 S HN 1.231 nan 8.310 nan 0.000 0.577 226 E N 0.638 120.840 120.200 0.003 0.000 2.107 226 E HA -0.050 4.300 4.350 -0.000 0.000 0.191 226 E C 2.225 178.827 176.600 0.003 0.000 0.982 226 E CA 1.483 57.885 56.400 0.002 0.000 0.809 226 E CB -1.357 28.344 29.700 0.001 0.000 0.756 226 E HN 0.629 nan 8.360 nan 0.000 0.459 227 S N -0.313 115.389 115.700 0.003 0.000 2.365 227 S HA -0.178 4.292 4.470 -0.000 0.000 0.225 227 S C 2.219 176.822 174.600 0.005 0.000 1.039 227 S CA 1.533 59.735 58.200 0.003 0.000 1.033 227 S CB -0.379 62.822 63.200 0.002 0.000 0.887 227 S HN 0.449 nan 8.310 nan 0.000 0.447 228 V N 1.677 121.595 119.914 0.006 0.000 2.270 228 V HA -0.172 3.948 4.120 -0.000 0.000 0.245 228 V C 2.304 178.405 176.094 0.012 0.000 1.043 228 V CA 1.686 63.992 62.300 0.010 0.000 1.014 228 V CB -0.529 31.299 31.823 0.010 0.000 0.645 228 V HN 0.437 nan 8.190 nan 0.000 0.447 229 K N 0.268 120.673 120.400 0.008 0.000 2.113 229 K HA -0.239 4.081 4.320 -0.000 0.000 0.208 229 K C 2.204 178.808 176.600 0.007 0.000 1.047 229 K CA 1.979 58.270 56.287 0.005 0.000 0.928 229 K CB -0.303 32.198 32.500 0.002 0.000 0.716 229 K HN 0.584 nan 8.250 nan 0.000 0.446 230 R N 0.278 120.782 120.500 0.007 0.000 2.200 230 R HA 0.124 4.464 4.340 -0.000 0.000 0.208 230 R C 2.127 178.436 176.300 0.014 0.000 1.033 230 R CA 0.915 57.020 56.100 0.008 0.000 1.000 230 R CB -0.165 30.138 30.300 0.005 0.000 0.906 230 R HN 0.025 nan 8.270 nan 0.000 0.462 231 A N 2.056 124.886 122.820 0.016 0.000 1.902 231 A HA -0.059 4.261 4.320 -0.000 0.000 0.217 231 A C 2.168 179.778 177.584 0.043 0.000 1.181 231 A CA 1.192 53.242 52.037 0.022 0.000 0.623 231 A CB -0.457 18.553 19.000 0.018 0.000 0.818 231 A HN 0.315 nan 8.150 nan 0.000 0.443 232 I N -0.181 120.419 120.570 0.049 0.000 2.361 232 I HA -0.235 3.935 4.170 -0.000 0.000 0.251 232 I C 2.034 178.198 176.117 0.078 0.000 1.133 232 I CA 0.864 62.210 61.300 0.077 0.000 1.413 232 I CB -0.235 37.781 38.000 0.026 0.000 1.073 232 I HN 0.284 nan 8.210 nan 0.000 0.424 233 L N 0.332 121.579 121.223 0.040 0.000 2.447 233 L HA -0.172 4.168 4.340 -0.000 0.000 0.225 233 L C 0.817 177.716 176.870 0.049 0.000 1.148 233 L CA 0.710 55.570 54.840 0.033 0.000 0.808 233 L CB -0.511 41.558 42.059 0.016 0.000 0.928 233 L HN 0.351 nan 8.230 nan 0.000 0.448 234 Q N 1.005 120.840 119.800 0.059 0.000 2.323 234 Q HA 0.104 4.444 4.340 -0.000 0.000 0.257 234 Q C -0.136 175.912 176.000 0.079 0.000 1.022 234 Q CA -0.227 55.602 55.803 0.045 0.000 0.919 234 Q CB 0.961 29.711 28.738 0.020 0.000 1.220 234 Q HN 0.011 nan 8.270 nan 0.000 0.427 235 E N 2.230 122.466 120.200 0.060 0.000 2.366 235 E HA 0.070 4.420 4.350 -0.000 0.000 0.266 235 E C -0.554 176.035 176.600 -0.020 0.000 1.051 235 E CA -0.130 56.318 56.400 0.080 0.000 0.884 235 E CB 0.822 30.557 29.700 0.059 0.000 1.006 235 E HN 0.547 nan 8.360 nan 0.000 0.417 236 T N 1.893 116.394 114.554 -0.088 0.000 2.899 236 T HA 0.478 4.828 4.350 -0.000 0.000 0.284 236 T C -2.292 172.329 174.700 -0.132 0.000 1.004 236 T CA -2.016 59.977 62.100 -0.179 0.000 1.043 236 T CB 1.078 69.743 68.868 -0.338 0.000 1.013 236 T HN 0.298 nan 8.240 nan 0.000 0.518 237 P HA 0.128 nan 4.420 nan 0.000 0.262 237 P C 0.330 177.506 177.300 -0.206 0.000 1.199 237 P CA -0.208 62.754 63.100 -0.229 0.000 0.763 237 P CB 0.538 32.092 31.700 -0.244 0.000 0.790 238 K N 1.930 122.203 120.400 -0.212 0.000 2.361 238 K HA 0.005 4.325 4.320 -0.000 0.000 0.196 238 K C 1.044 177.610 176.600 -0.057 0.000 1.039 238 K CA 0.888 57.126 56.287 -0.081 0.000 1.001 238 K CB -0.037 32.477 32.500 0.025 0.000 0.795 238 K HN 0.750 nan 8.250 nan 0.000 0.495 239 H N -1.929 117.062 119.070 -0.132 0.000 3.046 239 H HA 0.450 5.006 4.556 -0.000 0.000 0.363 239 H C -1.211 174.014 175.328 -0.171 0.000 1.203 239 H CA -0.891 55.062 56.048 -0.159 0.000 1.169 239 H CB 0.996 30.682 29.762 -0.127 0.000 1.851 239 H HN -0.204 nan 8.280 nan 0.000 0.546 240 L N 2.122 123.283 121.223 -0.104 0.000 2.410 240 L HA 0.267 4.607 4.340 -0.000 0.000 0.270 240 L C 0.762 177.614 176.870 -0.031 0.000 0.983 240 L CA -0.699 54.072 54.840 -0.113 0.000 0.822 240 L CB 2.423 44.394 42.059 -0.146 0.000 1.285 240 L HN 0.839 nan 8.230 nan 0.000 0.409 241 S N -0.804 114.908 115.700 0.020 0.000 2.511 241 S HA 0.007 4.476 4.470 -0.000 0.000 0.214 241 S C 0.753 175.403 174.600 0.083 0.000 0.997 241 S CA -0.161 58.073 58.200 0.057 0.000 0.908 241 S CB -0.137 63.119 63.200 0.092 0.000 0.803 241 S HN 0.777 nan 8.310 nan 0.000 0.504 242 N N 1.365 120.127 118.700 0.102 0.000 2.458 242 N HA 0.244 4.984 4.740 -0.000 0.000 0.274 242 N C -0.801 174.741 175.510 0.054 0.000 1.242 242 N CA -0.293 52.821 53.050 0.105 0.000 0.904 242 N CB 0.566 39.169 38.487 0.193 0.000 1.206 242 N HN 0.224 nan 8.380 nan 0.000 0.510 243 V N -0.426 119.513 119.914 0.041 0.000 2.709 243 V HA 0.760 4.880 4.120 -0.000 0.000 0.308 243 V C -0.305 175.822 176.094 0.055 0.000 1.062 243 V CA -0.725 61.608 62.300 0.055 0.000 0.901 243 V CB 1.414 33.272 31.823 0.059 0.000 1.003 243 V HN 0.412 nan 8.190 nan 0.000 0.425 244 E N 4.228 124.472 120.200 0.074 0.000 2.218 244 E HA 0.804 5.153 4.350 -0.000 0.000 0.263 244 E C -1.186 175.408 176.600 -0.009 0.000 0.879 244 E CA -0.489 55.923 56.400 0.020 0.000 0.762 244 E CB 1.955 31.703 29.700 0.080 0.000 1.166 244 E HN 0.697 nan 8.360 nan 0.000 0.415 245 I N 2.834 123.333 120.570 -0.118 0.000 2.433 245 I HA 0.432 4.602 4.170 -0.000 0.000 0.292 245 I C -0.490 175.408 176.117 -0.364 0.000 1.001 245 I CA -1.023 60.228 61.300 -0.081 0.000 1.119 245 I CB 1.799 39.861 38.000 0.104 0.000 1.289 245 I HN 0.621 nan 8.210 nan 0.000 0.438 246 H N 6.829 125.944 119.070 0.075 0.000 2.609 246 H HA 0.405 4.961 4.556 -0.000 0.000 0.344 246 H C -0.853 174.490 175.328 0.025 0.000 1.040 246 H CA -0.721 55.355 56.048 0.047 0.000 1.216 246 H CB 2.305 32.091 29.762 0.040 0.000 1.529 246 H HN 0.360 nan 8.280 nan 0.000 0.519 247 L N 5.038 126.323 121.223 0.103 0.000 2.295 247 L HA 0.157 4.497 4.340 -0.000 0.000 0.288 247 L C 1.872 178.778 176.870 0.059 0.000 1.079 247 L CA -0.169 54.702 54.840 0.051 0.000 0.830 247 L CB 0.322 42.391 42.059 0.016 0.000 1.200 247 L HN 0.655 nan 8.230 nan 0.000 0.438 248 I N -0.609 119.990 120.570 0.048 0.000 3.427 248 I HA 0.366 4.536 4.170 -0.000 0.000 0.288 248 I C 0.773 176.906 176.117 0.026 0.000 1.249 248 I CA 0.136 61.458 61.300 0.037 0.000 1.421 248 I CB 0.306 38.324 38.000 0.029 0.000 1.086 248 I HN 0.491 nan 8.210 nan 0.000 0.448 249 G N 1.838 110.650 108.800 0.020 0.000 2.719 249 G HA2 0.601 4.561 3.960 -0.000 0.000 0.298 249 G HA3 0.601 4.561 3.960 -0.000 0.000 0.298 249 G C -1.747 173.160 174.900 0.011 0.000 1.411 249 G CA -0.489 44.623 45.100 0.021 0.000 0.991 249 G HN 0.465 nan 8.290 nan 0.000 0.509 250 N N -0.862 117.845 118.700 0.012 0.000 3.261 250 N HA 0.128 4.868 4.740 -0.000 0.000 0.248 250 N C 0.210 175.725 175.510 0.008 0.000 1.498 250 N CA -0.221 52.832 53.050 0.005 0.000 0.884 250 N CB 1.076 39.561 38.487 -0.004 0.000 1.428 250 N HN 0.515 nan 8.380 nan 0.000 0.517 251 V N 0.301 120.218 119.914 0.005 0.000 2.626 251 V HA -0.180 3.940 4.120 -0.000 0.000 0.252 251 V C 1.980 178.076 176.094 0.002 0.000 1.067 251 V CA 2.038 64.343 62.300 0.008 0.000 1.081 251 V CB -0.728 31.101 31.823 0.009 0.000 0.686 251 V HN 0.615 nan 8.190 nan 0.000 0.468 252 Q N -0.409 119.390 119.800 -0.002 0.000 2.084 252 Q HA -0.216 4.124 4.340 -0.000 0.000 0.202 252 Q C 2.479 178.475 176.000 -0.006 0.000 0.978 252 Q CA 1.970 57.769 55.803 -0.006 0.000 0.844 252 Q CB -0.322 28.412 28.738 -0.006 0.000 0.898 252 Q HN 0.536 nan 8.270 nan 0.000 0.426 253 K N 0.389 120.789 120.400 0.000 0.000 2.103 253 K HA -0.111 4.209 4.320 -0.000 0.000 0.207 253 K C 1.995 178.593 176.600 -0.004 0.000 1.048 253 K CA 1.138 57.425 56.287 0.000 0.000 0.930 253 K CB -0.591 31.913 32.500 0.008 0.000 0.716 253 K HN 0.207 nan 8.250 nan 0.000 0.444 254 V N -0.343 119.571 119.914 0.001 0.000 2.453 254 V HA -0.169 3.951 4.120 -0.000 0.000 0.247 254 V C 2.580 178.668 176.094 -0.011 0.000 1.048 254 V CA 1.854 64.154 62.300 -0.001 0.000 1.049 254 V CB -0.529 31.302 31.823 0.013 0.000 0.672 254 V HN 0.604 nan 8.190 nan 0.000 0.457 255 C N 0.006 119.298 119.300 -0.013 0.000 2.440 255 C HA -0.121 4.339 4.460 -0.000 0.000 0.278 255 C C 2.525 177.494 174.990 -0.035 0.000 1.295 255 C CA 0.753 59.754 59.018 -0.028 0.000 1.738 255 C CB -0.913 26.806 27.740 -0.035 0.000 1.987 255 C HN 0.580 nan 8.230 nan 0.000 0.492 256 D N 0.457 120.841 120.400 -0.027 0.000 2.117 256 D HA -0.124 4.516 4.640 -0.000 0.000 0.197 256 D C 2.104 178.390 176.300 -0.024 0.000 0.987 256 D CA 1.320 55.305 54.000 -0.025 0.000 0.829 256 D CB -0.402 40.388 40.800 -0.017 0.000 0.961 256 D HN 0.508 nan 8.370 nan 0.000 0.460 257 E N 0.541 120.727 120.200 -0.023 0.000 2.072 257 E HA -0.039 4.310 4.350 -0.000 0.000 0.191 257 E C 1.878 178.463 176.600 -0.026 0.000 0.985 257 E CA 1.211 57.596 56.400 -0.025 0.000 0.801 257 E CB -0.228 29.454 29.700 -0.030 0.000 0.750 257 E HN 0.153 nan 8.360 nan 0.000 0.452 258 A N 0.982 123.784 122.820 -0.030 0.000 1.902 258 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 258 A C 2.151 179.713 177.584 -0.036 0.000 1.181 258 A CA 1.901 53.917 52.037 -0.035 0.000 0.623 258 A CB -0.609 18.367 19.000 -0.040 0.000 0.818 258 A HN 0.264 nan 8.150 nan 0.000 0.443 259 K N 0.273 120.649 120.400 -0.039 0.000 2.032 259 K HA -0.190 4.130 4.320 -0.000 0.000 0.209 259 K C 2.293 178.887 176.600 -0.010 0.000 1.048 259 K CA 2.075 58.341 56.287 -0.034 0.000 0.927 259 K CB -0.238 32.238 32.500 -0.040 0.000 0.712 259 K HN 0.562 nan 8.250 nan 0.000 0.441 260 S N 0.203 115.897 115.700 -0.009 0.000 2.414 260 S HA -0.054 4.416 4.470 -0.000 0.000 0.227 260 S C 2.029 176.635 174.600 0.010 0.000 1.022 260 S CA 0.587 58.787 58.200 -0.000 0.000 0.958 260 S CB -0.316 62.880 63.200 -0.006 0.000 0.797 260 S HN 0.353 nan 8.310 nan 0.000 0.493 261 L N 1.273 122.500 121.223 0.006 0.000 2.056 261 L HA 0.016 4.356 4.340 -0.000 0.000 0.207 261 L C 3.222 180.125 176.870 0.055 0.000 1.078 261 L CA 1.221 56.071 54.840 0.017 0.000 0.749 261 L CB -0.789 41.270 42.059 0.000 0.000 0.901 261 L HN 0.486 nan 8.230 nan 0.000 0.433 262 A N 0.060 122.915 122.820 0.058 0.000 1.877 262 A HA -0.226 4.094 4.320 -0.000 0.000 0.216 262 A C 2.318 180.030 177.584 0.213 0.000 1.186 262 A CA 1.702 53.824 52.037 0.142 0.000 0.620 262 A CB -0.371 18.643 19.000 0.025 0.000 0.822 262 A HN 0.300 nan 8.150 nan 0.000 0.443 263 K N -0.652 119.814 120.400 0.111 0.000 2.063 263 K HA -0.202 4.118 4.320 -0.000 0.000 0.208 263 K C 2.013 178.646 176.600 0.055 0.000 1.048 263 K CA 1.629 57.964 56.287 0.080 0.000 0.928 263 K CB -0.158 32.366 32.500 0.039 0.000 0.713 263 K HN 0.656 nan 8.250 nan 0.000 0.442 264 E N 0.901 121.129 120.200 0.047 0.000 2.333 264 E HA -0.144 4.206 4.350 -0.000 0.000 0.198 264 E C 0.825 177.438 176.600 0.021 0.000 1.007 264 E CA 0.954 57.369 56.400 0.025 0.000 0.845 264 E CB 0.297 30.009 29.700 0.020 0.000 0.766 264 E HN 0.134 nan 8.360 nan 0.000 0.507 265 K N -1.218 119.216 120.400 0.056 0.000 2.372 265 K HA 0.161 4.480 4.320 -0.000 0.000 0.200 265 K C 0.637 177.154 176.600 -0.139 0.000 1.022 265 K CA 0.557 56.856 56.287 0.020 0.000 1.125 265 K CB 1.384 33.973 32.500 0.148 0.000 0.855 265 K HN 0.206 nan 8.250 nan 0.000 0.524 266 G N 1.546 110.271 108.800 -0.125 0.000 2.144 266 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.218 266 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.218 266 G C -0.259 174.453 174.900 -0.314 0.000 0.988 266 G CA -0.503 44.460 45.100 -0.229 0.000 0.659 266 G HN 0.161 nan 8.290 nan 0.000 0.522 267 F N 1.421 121.361 119.950 -0.017 0.000 2.404 267 F HA 0.477 5.004 4.527 -0.000 0.000 0.339 267 F C 0.714 176.502 175.800 -0.019 0.000 1.105 267 F CA -1.263 56.727 58.000 -0.018 0.000 1.087 267 F CB 0.916 39.905 39.000 -0.018 0.000 1.143 267 F HN -0.091 nan 8.300 nan 0.000 0.491 268 N N 2.686 121.496 118.700 0.185 0.000 2.416 268 N HA 0.383 5.123 4.740 -0.000 0.000 0.265 268 N C -0.593 174.978 175.510 0.101 0.000 1.195 268 N CA 0.010 53.122 53.050 0.104 0.000 0.943 268 N CB 1.030 39.558 38.487 0.068 0.000 1.115 268 N HN 0.626 nan 8.380 nan 0.000 0.481 269 A N 1.752 124.607 122.820 0.058 0.000 2.355 269 A HA 0.638 4.958 4.320 -0.000 0.000 0.317 269 A C -0.332 177.236 177.584 -0.028 0.000 1.094 269 A CA -0.521 51.522 52.037 0.009 0.000 0.764 269 A CB 1.587 20.596 19.000 0.014 0.000 1.230 269 A HN 0.528 nan 8.150 nan 0.000 0.448 270 E N 1.275 121.431 120.200 -0.072 0.000 2.390 270 E HA 0.600 4.950 4.350 -0.000 0.000 0.277 270 E C -1.608 174.888 176.600 -0.174 0.000 0.939 270 E CA -0.481 55.862 56.400 -0.096 0.000 0.769 270 E CB 1.414 31.069 29.700 -0.076 0.000 1.251 270 E HN 0.528 nan 8.360 nan 0.000 0.450 271 I N 5.196 125.668 120.570 -0.163 0.000 2.312 271 I HA 0.134 4.304 4.170 -0.000 0.000 0.291 271 I C 0.781 176.757 176.117 -0.236 0.000 1.031 271 I CA -0.400 60.769 61.300 -0.218 0.000 1.293 271 I CB 0.676 38.595 38.000 -0.135 0.000 1.403 271 I HN 0.584 nan 8.210 nan 0.000 0.484 272 I N 3.401 123.731 120.570 -0.401 0.000 2.400 272 I HA 0.016 4.186 4.170 -0.000 0.000 0.248 272 I C 1.105 177.144 176.117 -0.131 0.000 1.109 272 I CA 1.244 62.374 61.300 -0.282 0.000 1.425 272 I CB -0.572 37.186 38.000 -0.404 0.000 1.094 272 I HN 0.566 nan 8.210 nan 0.000 0.425 273 T N -0.493 113.989 114.554 -0.120 0.000 2.886 273 T HA 0.284 4.634 4.350 -0.000 0.000 0.330 273 T C 0.294 174.988 174.700 -0.011 0.000 1.488 273 T CA 0.011 62.094 62.100 -0.029 0.000 1.054 273 T CB 1.357 70.236 68.868 0.018 0.000 1.348 273 T HN 0.188 nan 8.240 nan 0.000 0.489 274 T N -0.638 113.910 114.554 -0.010 0.000 3.084 274 T HA 0.262 4.612 4.350 -0.000 0.000 0.270 274 T C 0.934 175.636 174.700 0.004 0.000 1.008 274 T CA 0.455 62.554 62.100 -0.001 0.000 0.900 274 T CB -0.140 68.721 68.868 -0.012 0.000 1.084 274 T HN 0.601 nan 8.240 nan 0.000 0.538 275 S N 0.926 116.628 115.700 0.003 0.000 2.581 275 S HA 0.460 4.930 4.470 -0.000 0.000 0.245 275 S C -0.075 174.522 174.600 -0.005 0.000 1.115 275 S CA -0.731 57.468 58.200 -0.003 0.000 1.093 275 S CB -0.304 62.892 63.200 -0.008 0.000 0.853 275 S HN 0.293 nan 8.310 nan 0.000 0.479 276 L N 3.712 124.938 121.223 0.005 0.000 2.462 276 L HA 0.325 4.665 4.340 -0.000 0.000 0.272 276 L C 0.334 177.196 176.870 -0.014 0.000 1.166 276 L CA 0.884 55.718 54.840 -0.009 0.000 0.880 276 L CB 0.455 42.519 42.059 0.008 0.000 1.142 276 L HN 0.516 nan 8.230 nan 0.000 0.473 277 D N 1.196 121.582 120.400 -0.023 0.000 2.567 277 D HA 0.060 4.700 4.640 -0.000 0.000 0.268 277 D C 0.336 176.628 176.300 -0.014 0.000 1.448 277 D CA -0.177 53.814 54.000 -0.014 0.000 0.811 277 D CB -0.941 39.854 40.800 -0.010 0.000 1.192 277 D HN 0.474 nan 8.370 nan 0.000 0.488 278 C N -0.005 119.282 119.300 -0.022 0.000 2.574 278 C HA 0.708 5.168 4.460 -0.000 0.000 0.335 278 C C 0.991 175.978 174.990 -0.005 0.000 1.493 278 C CA -0.936 58.075 59.018 -0.012 0.000 2.217 278 C CB 0.348 28.079 27.740 -0.015 0.000 2.056 278 C HN 0.263 nan 8.230 nan 0.000 0.607 279 E N 0.188 120.392 120.200 0.006 0.000 2.452 279 E HA 0.352 4.702 4.350 -0.000 0.000 0.261 279 E C 0.920 177.523 176.600 0.005 0.000 0.987 279 E CA 0.794 57.200 56.400 0.011 0.000 0.926 279 E CB 0.854 30.567 29.700 0.021 0.000 0.934 279 E HN 0.774 nan 8.360 nan 0.000 0.452 280 A N 5.754 128.576 122.820 0.004 0.000 1.877 280 A HA -0.246 4.074 4.320 -0.000 0.000 0.216 280 A C 1.967 179.548 177.584 -0.004 0.000 1.186 280 A CA 1.977 54.011 52.037 -0.004 0.000 0.620 280 A CB -0.563 18.437 19.000 0.001 0.000 0.822 280 A HN 0.832 nan 8.150 nan 0.000 0.443 281 R N -0.827 119.679 120.500 0.008 0.000 2.120 281 R HA -0.095 4.245 4.340 -0.000 0.000 0.234 281 R C 1.399 177.711 176.300 0.019 0.000 1.123 281 R CA 1.580 57.687 56.100 0.011 0.000 0.975 281 R CB -0.396 29.918 30.300 0.023 0.000 0.866 281 R HN 0.384 nan 8.270 nan 0.000 0.446 282 E N 1.405 121.623 120.200 0.030 0.000 2.112 282 E HA -0.035 4.314 4.350 -0.000 0.000 0.190 282 E C 2.172 178.814 176.600 0.069 0.000 0.979 282 E CA 1.246 57.678 56.400 0.053 0.000 0.814 282 E CB -0.266 29.471 29.700 0.061 0.000 0.762 282 E HN 0.500 nan 8.360 nan 0.000 0.460 283 A N 1.361 124.196 122.820 0.025 0.000 1.978 283 A HA -0.097 4.223 4.320 -0.000 0.000 0.220 283 A C 2.450 180.007 177.584 -0.045 0.000 1.170 283 A CA 1.877 53.902 52.037 -0.021 0.000 0.636 283 A CB -1.041 17.914 19.000 -0.076 0.000 0.810 283 A HN 0.328 nan 8.150 nan 0.000 0.448 284 G N -0.723 108.055 108.800 -0.036 0.000 2.408 284 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.217 284 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.217 284 G C 1.767 176.653 174.900 -0.024 0.000 1.150 284 G CA 0.750 45.819 45.100 -0.052 0.000 0.776 284 G HN 0.552 nan 8.290 nan 0.000 0.542 285 R N -1.011 119.497 120.500 0.013 0.000 2.092 285 R HA 0.031 4.371 4.340 -0.000 0.000 0.231 285 R C 2.260 178.584 176.300 0.039 0.000 1.119 285 R CA 0.857 56.969 56.100 0.020 0.000 0.970 285 R CB -0.482 29.832 30.300 0.024 0.000 0.864 285 R HN 0.377 nan 8.270 nan 0.000 0.440 286 F N 1.588 121.499 119.950 -0.065 0.000 2.102 286 F HA -0.133 4.393 4.527 -0.000 0.000 0.298 286 F C 2.093 177.837 175.800 -0.093 0.000 1.105 286 F CA 1.241 59.204 58.000 -0.061 0.000 1.239 286 F CB -0.260 38.701 39.000 -0.065 0.000 0.991 286 F HN -0.138 nan 8.300 nan 0.000 0.474 287 I N -0.225 120.398 120.570 0.089 0.000 2.179 287 I HA -0.323 3.847 4.170 -0.000 0.000 0.242 287 I C 2.658 178.774 176.117 -0.002 0.000 1.088 287 I CA 1.203 62.431 61.300 -0.120 0.000 1.357 287 I CB -0.972 36.751 38.000 -0.461 0.000 1.051 287 I HN 0.167 nan 8.210 nan 0.000 0.409 288 A N 0.301 123.117 122.820 -0.008 0.000 1.917 288 A HA -0.262 4.058 4.320 -0.000 0.000 0.219 288 A C 2.478 180.082 177.584 0.035 0.000 1.182 288 A CA 2.549 54.593 52.037 0.013 0.000 0.633 288 A CB -0.882 18.119 19.000 0.003 0.000 0.819 288 A HN 0.433 nan 8.150 nan 0.000 0.448 289 S N -0.420 115.290 115.700 0.017 0.000 2.382 289 S HA 0.011 4.481 4.470 -0.000 0.000 0.228 289 S C 1.077 175.704 174.600 0.045 0.000 1.027 289 S CA 0.740 58.937 58.200 -0.005 0.000 0.991 289 S CB -0.517 62.605 63.200 -0.131 0.000 0.823 289 S HN 0.523 nan 8.310 nan 0.000 0.469 293 E N 2.063 122.339 120.200 0.127 0.000 2.077 293 E HA -0.062 4.288 4.350 -0.000 0.000 0.193 293 E C 1.758 178.405 176.600 0.079 0.000 0.989 293 E CA 1.534 58.003 56.400 0.116 0.000 0.800 293 E CB 0.028 29.782 29.700 0.090 0.000 0.746 293 E HN 0.089 nan 8.360 nan 0.000 0.452 294 V N 0.633 120.574 119.914 0.045 0.000 2.295 294 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 294 V C 2.337 178.400 176.094 -0.051 0.000 1.049 294 V CA 2.045 64.352 62.300 0.013 0.000 1.024 294 V CB -0.544 31.289 31.823 0.017 0.000 0.648 294 V HN 0.225 nan 8.190 nan 0.000 0.447 295 K N 0.317 120.630 120.400 -0.146 0.000 2.009 295 K HA -0.165 4.155 4.320 -0.000 0.000 0.210 295 K C 1.665 178.000 176.600 -0.441 0.000 1.049 295 K CA 2.175 58.235 56.287 -0.377 0.000 0.929 295 K CB -0.463 31.660 32.500 -0.630 0.000 0.714 295 K HN 0.403 nan 8.250 nan 0.000 0.440 296 F N -0.073 119.891 119.950 0.023 0.000 2.656 296 F HA 0.232 4.759 4.527 -0.000 0.000 0.291 296 F C 1.486 177.297 175.800 0.017 0.000 1.122 296 F CA 0.433 58.443 58.000 0.018 0.000 1.427 296 F CB 0.399 39.407 39.000 0.013 0.000 1.125 296 F HN -0.092 nan 8.300 nan 0.000 0.583 297 K N -0.730 119.764 120.400 0.156 0.000 2.438 297 K HA 0.103 4.422 4.320 -0.000 0.000 0.206 297 K C -0.300 176.337 176.600 0.061 0.000 1.081 297 K CA 0.266 56.616 56.287 0.104 0.000 1.053 297 K CB 0.430 32.989 32.500 0.099 0.000 0.908 297 K HN -0.085 nan 8.250 nan 0.000 0.556 298 D N 2.021 122.446 120.400 0.041 0.000 2.800 298 D HA -0.163 4.477 4.640 -0.000 0.000 0.232 298 D C -0.575 175.745 176.300 0.033 0.000 1.137 298 D CA 0.958 54.974 54.000 0.027 0.000 0.718 298 D CB -0.424 40.390 40.800 0.024 0.000 1.084 298 D HN 0.464 nan 8.370 nan 0.000 0.432 299 R N -2.063 118.462 120.500 0.041 0.000 2.710 299 R HA 0.517 4.857 4.340 -0.000 0.000 0.270 299 R C -2.686 173.646 176.300 0.053 0.000 1.021 299 R CA -1.258 54.867 56.100 0.042 0.000 0.889 299 R CB 1.231 31.555 30.300 0.042 0.000 1.243 299 R HN -0.249 nan 8.270 nan 0.000 0.464 300 P HA 0.079 nan 4.420 nan 0.000 0.242 300 P C -0.124 177.194 177.300 0.030 0.000 1.197 300 P CA 0.424 63.549 63.100 0.043 0.000 0.765 300 P CB 0.443 32.172 31.700 0.049 0.000 0.936 301 L N -0.639 120.603 121.223 0.031 0.000 2.354 301 L HA 0.435 4.774 4.340 -0.000 0.000 0.264 301 L C 0.390 177.278 176.870 0.030 0.000 1.008 301 L CA -1.184 53.672 54.840 0.027 0.000 0.819 301 L CB 2.611 44.685 42.059 0.025 0.000 1.339 301 L HN -0.351 nan 8.230 nan 0.000 0.420 302 K N 1.517 121.934 120.400 0.029 0.000 2.144 302 K HA 0.372 4.692 4.320 -0.000 0.000 0.270 302 K C -0.765 175.857 176.600 0.037 0.000 1.005 302 K CA -0.826 55.477 56.287 0.026 0.000 0.932 302 K CB 1.171 33.682 32.500 0.020 0.000 1.021 302 K HN 0.392 nan 8.250 nan 0.000 0.462 303 K N 2.726 123.143 120.400 0.029 0.000 2.401 303 K HA 0.104 4.424 4.320 -0.000 0.000 0.278 303 K C -2.242 174.375 176.600 0.029 0.000 1.018 303 K CA -1.434 54.878 56.287 0.041 0.000 0.981 303 K CB -0.029 32.479 32.500 0.014 0.000 0.933 303 K HN 0.327 nan 8.250 nan 0.000 0.477 304 P HA 0.178 nan 4.420 nan 0.000 0.287 304 P C -1.429 176.058 177.300 0.312 0.000 1.281 304 P CA -0.447 62.738 63.100 0.142 0.000 0.781 304 P CB 1.443 33.113 31.700 -0.049 0.000 0.903 305 A N 2.590 125.592 122.820 0.303 0.000 2.356 305 A HA 0.823 5.143 4.320 -0.000 0.000 0.323 305 A C -0.886 176.713 177.584 0.024 0.000 1.119 305 A CA -0.754 51.389 52.037 0.176 0.000 0.790 305 A CB 1.526 20.569 19.000 0.071 0.000 1.273 305 A HN 0.512 nan 8.150 nan 0.000 0.452 306 A N 1.999 124.781 122.820 -0.063 0.000 2.375 306 A HA 0.626 4.946 4.320 -0.000 0.000 0.291 306 A C -0.910 176.595 177.584 -0.132 0.000 1.160 306 A CA -0.298 51.606 52.037 -0.222 0.000 0.747 306 A CB 0.262 19.049 19.000 -0.356 0.000 1.170 306 A HN 0.748 nan 8.150 nan 0.000 0.458 307 L N 3.018 124.178 121.223 -0.104 0.000 2.275 307 L HA 0.517 4.857 4.340 -0.000 0.000 0.288 307 L C -0.763 175.949 176.870 -0.263 0.000 1.046 307 L CA -0.394 54.345 54.840 -0.167 0.000 0.805 307 L CB 1.259 43.329 42.059 0.018 0.000 1.193 307 L HN 0.577 nan 8.230 nan 0.000 0.426 308 I N 3.390 123.669 120.570 -0.485 0.000 2.404 308 I HA 0.441 4.611 4.170 -0.000 0.000 0.293 308 I C -0.700 175.034 176.117 -0.638 0.000 0.992 308 I CA 0.035 61.114 61.300 -0.368 0.000 1.149 308 I CB 1.344 39.225 38.000 -0.199 0.000 1.315 308 I HN 0.229 nan 8.210 nan 0.000 0.446 309 F N 3.489 123.417 119.950 -0.036 0.000 2.551 309 F HA 0.834 5.361 4.527 -0.000 0.000 0.316 309 F C 0.521 176.302 175.800 -0.032 0.000 1.089 309 F CA -0.858 57.119 58.000 -0.037 0.000 0.915 309 F CB 2.214 41.190 39.000 -0.040 0.000 1.186 309 F HN 0.434 nan 8.300 nan 0.000 0.456 310 G N -0.050 108.830 108.800 0.133 0.000 2.612 310 G HA2 0.729 4.689 3.960 -0.000 0.000 0.298 310 G HA3 0.729 4.689 3.960 -0.000 0.000 0.298 310 G C -0.726 174.207 174.900 0.055 0.000 1.336 310 G CA -0.423 44.719 45.100 0.071 0.000 0.953 310 G HN 1.106 nan 8.290 nan 0.000 0.482 311 G N -0.537 108.284 108.800 0.035 0.000 2.404 311 G HA2 0.439 4.399 3.960 -0.000 0.000 0.253 311 G HA3 0.439 4.399 3.960 -0.000 0.000 0.253 311 G C -1.548 173.360 174.900 0.013 0.000 1.253 311 G CA -0.140 44.971 45.100 0.019 0.000 0.917 311 G HN 0.801 nan 8.290 nan 0.000 0.480 312 E N 0.859 121.062 120.200 0.006 0.000 2.642 312 E HA 0.468 4.818 4.350 -0.000 0.000 0.284 312 E C 0.302 176.902 176.600 0.000 0.000 1.039 312 E CA -0.177 56.226 56.400 0.005 0.000 0.777 312 E CB 0.551 30.254 29.700 0.004 0.000 1.473 312 E HN 0.804 nan 8.360 nan 0.000 0.388 313 T N -0.645 113.908 114.554 -0.001 0.000 2.726 313 T HA 0.468 4.818 4.350 -0.000 0.000 0.294 313 T C 0.703 175.404 174.700 0.001 0.000 1.013 313 T CA -0.322 61.775 62.100 -0.005 0.000 0.996 313 T CB 1.262 70.124 68.868 -0.010 0.000 1.016 313 T HN 0.249 nan 8.240 nan 0.000 0.529 314 V N -2.611 117.304 119.914 0.002 0.000 3.102 314 V HA 0.888 5.008 4.120 -0.000 0.000 0.312 314 V C -0.952 175.147 176.094 0.009 0.000 1.135 314 V CA -1.166 61.138 62.300 0.006 0.000 1.022 314 V CB 1.879 33.706 31.823 0.006 0.000 1.056 314 V HN 0.861 nan 8.190 nan 0.000 0.436 315 V N 1.018 120.939 119.914 0.012 0.000 2.525 315 V HA 0.644 4.764 4.120 -0.000 0.000 0.299 315 V C 0.357 176.460 176.094 0.015 0.000 1.034 315 V CA 0.263 62.572 62.300 0.015 0.000 0.863 315 V CB 1.241 33.075 31.823 0.019 0.000 0.999 315 V HN 1.480 nan 8.190 nan 0.000 0.423 316 H N 3.204 122.283 119.070 0.016 0.000 2.911 316 H HA 0.628 5.184 4.556 -0.000 0.000 0.273 316 H C -0.155 175.183 175.328 0.017 0.000 1.157 316 H CA -0.442 55.615 56.048 0.015 0.000 1.402 316 H CB 0.712 30.484 29.762 0.016 0.000 1.463 316 H HN 0.600 nan 8.280 nan 0.000 0.475 317 V N 4.146 124.069 119.914 0.015 0.000 2.439 317 V HA 0.081 4.201 4.120 -0.000 0.000 0.271 317 V C 0.708 176.810 176.094 0.015 0.000 1.040 317 V CA 0.325 62.635 62.300 0.016 0.000 1.002 317 V CB 0.909 32.740 31.823 0.014 0.000 1.000 317 V HN 0.900 nan 8.190 nan 0.000 0.477 318 K N 3.174 123.584 120.400 0.018 0.000 2.365 318 K HA 0.328 4.648 4.320 -0.000 0.000 0.195 318 K C 0.907 177.515 176.600 0.013 0.000 1.079 318 K CA 0.621 56.917 56.287 0.015 0.000 0.979 318 K CB 0.673 33.183 32.500 0.017 0.000 0.929 318 K HN 0.767 nan 8.250 nan 0.000 0.523 319 G N 0.385 109.195 108.800 0.017 0.000 2.938 319 G HA2 0.213 4.173 3.960 -0.000 0.000 0.258 319 G HA3 0.213 4.173 3.960 -0.000 0.000 0.258 319 G C -0.341 174.568 174.900 0.015 0.000 1.356 319 G CA -0.549 44.560 45.100 0.014 0.000 1.052 319 G HN 0.225 nan 8.290 nan 0.000 0.550 320 N N -0.957 117.752 118.700 0.014 0.000 2.238 320 N HA 0.239 4.979 4.740 -0.000 0.000 0.235 320 N C 0.753 176.275 175.510 0.020 0.000 1.209 320 N CA 0.027 53.085 53.050 0.013 0.000 0.879 320 N CB 0.663 39.154 38.487 0.007 0.000 1.136 320 N HN 0.626 nan 8.380 nan 0.000 0.517 321 G N 0.792 109.613 108.800 0.036 0.000 2.611 321 G HA2 0.478 4.438 3.960 -0.000 0.000 0.273 321 G HA3 0.478 4.438 3.960 -0.000 0.000 0.273 321 G C -0.026 174.899 174.900 0.042 0.000 1.305 321 G CA -0.667 44.467 45.100 0.057 0.000 1.010 321 G HN 0.422 nan 8.290 nan 0.000 0.509 322 I N -2.535 118.066 120.570 0.052 0.000 2.474 322 I HA 0.926 5.096 4.170 -0.000 0.000 0.294 322 I C 0.283 176.453 176.117 0.087 0.000 1.005 322 I CA -0.525 60.783 61.300 0.014 0.000 1.113 322 I CB 2.097 40.041 38.000 -0.093 0.000 1.289 322 I HN 0.883 nan 8.210 nan 0.000 0.436 323 G N 2.842 111.687 108.800 0.076 0.000 2.435 323 G HA2 0.718 4.678 3.960 -0.000 0.000 0.296 323 G HA3 0.718 4.678 3.960 -0.000 0.000 0.296 323 G C -1.038 173.912 174.900 0.082 0.000 1.240 323 G CA -0.301 44.871 45.100 0.120 0.000 0.872 323 G HN 1.184 nan 8.290 nan 0.000 0.480 324 G N -1.615 107.227 108.800 0.070 0.000 2.523 324 G HA2 0.550 4.510 3.960 -0.000 0.000 0.291 324 G HA3 0.550 4.510 3.960 -0.000 0.000 0.291 324 G C 0.642 175.565 174.900 0.037 0.000 1.450 324 G CA 0.531 45.660 45.100 0.050 0.000 0.790 324 G HN 1.042 nan 8.290 nan 0.000 0.496 325 R N -0.076 120.440 120.500 0.027 0.000 2.083 325 R HA -0.101 4.239 4.340 -0.000 0.000 0.237 325 R C 1.380 177.687 176.300 0.012 0.000 1.137 325 R CA 1.618 57.728 56.100 0.017 0.000 0.951 325 R CB -0.472 29.835 30.300 0.013 0.000 0.851 325 R HN 0.412 nan 8.270 nan 0.000 0.434 326 N N 1.007 119.715 118.700 0.014 0.000 2.244 326 N HA -0.140 4.600 4.740 -0.000 0.000 0.183 326 N C 1.795 177.305 175.510 0.001 0.000 1.016 326 N CA 1.377 54.431 53.050 0.006 0.000 0.866 326 N CB -0.082 38.411 38.487 0.011 0.000 0.980 326 N HN 0.520 nan 8.380 nan 0.000 0.430 327 Q N 0.673 120.481 119.800 0.013 0.000 2.187 327 Q HA 0.010 4.350 4.340 -0.000 0.000 0.199 327 Q C 1.602 177.602 176.000 -0.001 0.000 0.957 327 Q CA 0.711 56.517 55.803 0.004 0.000 0.857 327 Q CB 0.143 28.899 28.738 0.031 0.000 0.929 327 Q HN 0.427 nan 8.270 nan 0.000 0.453 328 E N 0.707 120.913 120.200 0.010 0.000 2.072 328 E HA -0.153 4.196 4.350 -0.000 0.000 0.190 328 E C 2.030 178.624 176.600 -0.010 0.000 0.982 328 E CA 0.570 56.974 56.400 0.007 0.000 0.803 328 E CB -0.035 29.676 29.700 0.019 0.000 0.755 328 E HN 0.301 nan 8.360 nan 0.000 0.453 329 L N 0.758 121.972 121.223 -0.015 0.000 2.012 329 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 329 L C 2.393 179.239 176.870 -0.041 0.000 1.073 329 L CA 1.544 56.366 54.840 -0.031 0.000 0.748 329 L CB -0.225 41.812 42.059 -0.038 0.000 0.891 329 L HN 0.064 nan 8.230 nan 0.000 0.431 330 A N -0.425 122.373 122.820 -0.038 0.000 1.873 330 A HA -0.226 4.094 4.320 -0.000 0.000 0.215 330 A C 2.141 179.694 177.584 -0.052 0.000 1.186 330 A CA 1.738 53.748 52.037 -0.045 0.000 0.616 330 A CB -0.923 18.050 19.000 -0.044 0.000 0.823 330 A HN 0.453 nan 8.150 nan 0.000 0.442 331 L N -0.009 121.184 121.223 -0.051 0.000 2.079 331 L HA -0.122 4.218 4.340 -0.000 0.000 0.210 331 L C 2.589 179.414 176.870 -0.076 0.000 1.081 331 L CA 2.597 57.399 54.840 -0.063 0.000 0.752 331 L CB -0.769 41.262 42.059 -0.047 0.000 0.896 331 L HN 0.369 nan 8.230 nan 0.000 0.433 332 S N -0.990 114.675 115.700 -0.059 0.000 2.368 332 S HA -0.134 4.336 4.470 -0.000 0.000 0.224 332 S C 2.158 176.721 174.600 -0.061 0.000 1.029 332 S CA 1.138 59.300 58.200 -0.062 0.000 0.988 332 S CB -0.425 62.758 63.200 -0.028 0.000 0.838 332 S HN 0.644 nan 8.310 nan 0.000 0.462 333 A N 1.470 124.259 122.820 -0.051 0.000 1.902 333 A HA 0.174 4.494 4.320 -0.000 0.000 0.217 333 A C 2.482 180.040 177.584 -0.045 0.000 1.181 333 A CA 1.897 53.908 52.037 -0.044 0.000 0.623 333 A CB -1.441 17.530 19.000 -0.047 0.000 0.818 333 A HN 0.787 nan 8.150 nan 0.000 0.443 334 A N -0.148 122.638 122.820 -0.057 0.000 1.940 334 A HA -0.108 4.211 4.320 -0.000 0.000 0.219 334 A C 2.106 179.652 177.584 -0.064 0.000 1.176 334 A CA 1.563 53.567 52.037 -0.056 0.000 0.631 334 A CB -0.620 18.341 19.000 -0.065 0.000 0.814 334 A HN 0.519 nan 8.150 nan 0.000 0.446 335 I N -0.277 120.231 120.570 -0.103 0.000 2.142 335 I HA -0.295 3.875 4.170 -0.000 0.000 0.240 335 I C 2.955 179.039 176.117 -0.054 0.000 1.078 335 I CA 1.216 62.433 61.300 -0.138 0.000 1.343 335 I CB -0.352 37.472 38.000 -0.293 0.000 1.046 335 I HN 0.342 nan 8.210 nan 0.000 0.405 336 A N 0.410 123.210 122.820 -0.034 0.000 2.024 336 A HA -0.104 4.216 4.320 -0.000 0.000 0.220 336 A C 2.042 179.638 177.584 0.020 0.000 1.164 336 A CA 1.390 53.429 52.037 0.004 0.000 0.643 336 A CB -0.678 18.323 19.000 0.002 0.000 0.806 336 A HN 0.484 nan 8.150 nan 0.000 0.451 337 L N -0.487 120.742 121.223 0.009 0.000 2.700 337 L HA 0.173 4.513 4.340 -0.000 0.000 0.234 337 L C 0.696 177.583 176.870 0.028 0.000 1.156 337 L CA -0.347 54.509 54.840 0.026 0.000 0.946 337 L CB -0.151 41.915 42.059 0.011 0.000 1.216 337 L HN 0.418 nan 8.230 nan 0.000 0.493 338 E N 1.248 121.460 120.200 0.020 0.000 2.529 338 E HA 0.091 4.441 4.350 -0.000 0.000 0.259 338 E C 1.211 177.835 176.600 0.040 0.000 0.966 338 E CA 0.928 57.341 56.400 0.021 0.000 0.937 338 E CB 0.330 30.042 29.700 0.020 0.000 0.923 338 E HN 0.349 nan 8.360 nan 0.000 0.468 339 G N 4.106 112.928 108.800 0.037 0.000 2.159 339 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.256 339 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.256 339 G C 0.139 175.081 174.900 0.070 0.000 0.977 339 G CA 0.201 45.331 45.100 0.048 0.000 0.652 339 G HN 0.545 nan 8.290 nan 0.000 0.531 340 I N 1.493 122.104 120.570 0.068 0.000 2.312 340 I HA 0.299 4.469 4.170 -0.000 0.000 0.290 340 I C 0.640 176.774 176.117 0.028 0.000 1.008 340 I CA -0.744 60.603 61.300 0.079 0.000 1.226 340 I CB 1.130 39.182 38.000 0.087 0.000 1.371 340 I HN 0.114 nan 8.210 nan 0.000 0.468 341 E N 4.122 124.334 120.200 0.021 0.000 2.418 341 E HA 0.228 4.578 4.350 -0.000 0.000 0.261 341 E C 0.986 177.570 176.600 -0.026 0.000 1.070 341 E CA 0.611 57.011 56.400 0.001 0.000 0.931 341 E CB 0.483 30.186 29.700 0.004 0.000 0.954 341 E HN 0.932 nan 8.360 nan 0.000 0.439 342 G N 0.692 109.482 108.800 -0.016 0.000 2.136 342 G HA2 -0.251 3.708 3.960 -0.000 0.000 0.242 342 G HA3 -0.251 3.708 3.960 -0.000 0.000 0.242 342 G C -0.010 174.880 174.900 -0.017 0.000 0.989 342 G CA 0.233 45.323 45.100 -0.016 0.000 0.682 342 G HN 0.578 nan 8.290 nan 0.000 0.522 343 V N -2.496 117.407 119.914 -0.018 0.000 2.540 343 V HA 0.889 5.009 4.120 -0.000 0.000 0.302 343 V C -0.008 176.076 176.094 -0.015 0.000 1.035 343 V CA -1.339 60.949 62.300 -0.020 0.000 0.873 343 V CB 2.141 33.950 31.823 -0.024 0.000 0.992 343 V HN 0.636 nan 8.190 nan 0.000 0.428 344 I N 5.441 125.998 120.570 -0.021 0.000 2.498 344 I HA 0.634 4.804 4.170 -0.000 0.000 0.290 344 I C -0.425 175.674 176.117 -0.030 0.000 1.032 344 I CA -0.498 60.787 61.300 -0.026 0.000 1.073 344 I CB 1.532 39.516 38.000 -0.027 0.000 1.251 344 I HN 0.982 nan 8.210 nan 0.000 0.426 345 L N 5.590 126.798 121.223 -0.026 0.000 2.365 345 L HA 0.828 5.168 4.340 -0.000 0.000 0.273 345 L C -0.814 176.041 176.870 -0.025 0.000 1.000 345 L CA -0.077 54.750 54.840 -0.022 0.000 0.819 345 L CB 1.572 43.617 42.059 -0.024 0.000 1.284 345 L HN 0.883 nan 8.230 nan 0.000 0.418 346 C N 3.979 123.268 119.300 -0.018 0.000 2.397 346 C HA 0.805 5.265 4.460 -0.000 0.000 0.325 346 C C -0.142 174.845 174.990 -0.005 0.000 1.201 346 C CA -0.233 58.775 59.018 -0.017 0.000 1.377 346 C CB 0.676 28.404 27.740 -0.020 0.000 2.038 346 C HN 0.902 nan 8.230 nan 0.000 0.457 347 S N 4.529 120.224 115.700 -0.009 0.000 2.532 347 S HA 0.937 5.407 4.470 -0.000 0.000 0.301 347 S C -0.657 173.945 174.600 0.004 0.000 1.083 347 S CA -0.270 57.929 58.200 -0.001 0.000 1.025 347 S CB 1.832 65.025 63.200 -0.012 0.000 1.056 347 S HN 1.927 nan 8.310 nan 0.000 0.494 348 A N 1.554 124.383 122.820 0.014 0.000 2.488 348 A HA 0.758 5.077 4.320 -0.000 0.000 0.295 348 A C 0.014 177.613 177.584 0.026 0.000 1.045 348 A CA -0.449 51.600 52.037 0.020 0.000 0.703 348 A CB 0.928 19.941 19.000 0.022 0.000 1.271 348 A HN 1.468 nan 8.150 nan 0.000 0.400 349 G N 1.228 110.045 108.800 0.028 0.000 2.358 349 G HA2 0.413 4.372 3.960 -0.000 0.000 0.273 349 G HA3 0.413 4.372 3.960 -0.000 0.000 0.273 349 G C 1.000 175.923 174.900 0.038 0.000 1.215 349 G CA 0.506 45.625 45.100 0.031 0.000 0.910 349 G HN 1.382 nan 8.290 nan 0.000 0.467 350 T N 0.161 114.740 114.554 0.042 0.000 2.977 350 T HA -0.139 4.211 4.350 -0.000 0.000 0.271 350 T C 1.521 176.252 174.700 0.052 0.000 1.105 350 T CA 1.293 63.428 62.100 0.058 0.000 1.116 350 T CB -0.056 68.848 68.868 0.060 0.000 0.878 350 T HN 0.404 nan 8.240 nan 0.000 0.509 351 D N 2.251 122.671 120.400 0.033 0.000 2.154 351 D HA -0.111 4.529 4.640 -0.000 0.000 0.190 351 D C 1.985 178.295 176.300 0.016 0.000 1.003 351 D CA 2.352 56.364 54.000 0.019 0.000 0.849 351 D CB -0.830 39.984 40.800 0.023 0.000 0.942 351 D HN 0.718 nan 8.370 nan 0.000 0.446 352 G N -1.178 107.640 108.800 0.031 0.000 2.176 352 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.232 352 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.232 352 G C 0.206 175.125 174.900 0.031 0.000 0.986 352 G CA 0.523 45.641 45.100 0.031 0.000 0.643 352 G HN 0.350 nan 8.290 nan 0.000 0.522 353 T N 0.701 115.274 114.554 0.032 0.000 3.008 353 T HA 0.472 4.822 4.350 -0.000 0.000 0.328 353 T C -1.300 173.424 174.700 0.040 0.000 1.020 353 T CA -0.316 61.806 62.100 0.036 0.000 1.043 353 T CB 1.724 70.609 68.868 0.029 0.000 1.010 353 T HN 0.263 nan 8.240 nan 0.000 0.466 354 D N 2.339 122.769 120.400 0.051 0.000 2.317 354 D HA 0.569 5.209 4.640 -0.000 0.000 0.234 354 D C 1.079 177.412 176.300 0.054 0.000 1.112 354 D CA 1.031 55.062 54.000 0.051 0.000 0.840 354 D CB 0.470 41.305 40.800 0.057 0.000 1.078 354 D HN 0.786 nan 8.370 nan 0.000 0.486 355 G N 4.482 113.305 108.800 0.039 0.000 2.601 355 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.261 355 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.261 355 G C -2.041 172.869 174.900 0.017 0.000 1.289 355 G CA -0.303 44.814 45.100 0.028 0.000 0.920 355 G HN 0.572 nan 8.290 nan 0.000 0.571 356 P HA 0.333 nan 4.420 nan 0.000 0.219 356 P C 0.025 177.295 177.300 -0.050 0.000 1.832 356 P CA 0.867 63.955 63.100 -0.019 0.000 1.014 356 P CB -0.180 31.504 31.700 -0.027 0.000 1.939 357 T N -2.268 112.275 114.554 -0.020 0.000 2.841 357 T HA 0.333 4.682 4.350 -0.000 0.000 0.296 357 T C 0.426 175.153 174.700 0.044 0.000 1.166 357 T CA -0.671 61.411 62.100 -0.030 0.000 1.007 357 T CB 1.352 70.243 68.868 0.038 0.000 1.253 357 T HN -0.025 nan 8.240 nan 0.000 0.511 358 D N 0.012 120.464 120.400 0.087 0.000 2.340 358 D HA 0.313 4.953 4.640 -0.000 0.000 0.220 358 D C 0.757 177.126 176.300 0.115 0.000 1.039 358 D CA -0.156 53.898 54.000 0.090 0.000 0.866 358 D CB -0.314 40.535 40.800 0.082 0.000 0.913 358 D HN 0.808 nan 8.370 nan 0.000 0.523 359 A N -0.135 122.789 122.820 0.172 0.000 2.306 359 A HA 0.714 5.034 4.320 -0.000 0.000 0.330 359 A C 1.032 178.662 177.584 0.076 0.000 1.146 359 A CA -0.171 51.933 52.037 0.112 0.000 0.827 359 A CB 1.510 20.569 19.000 0.099 0.000 1.178 359 A HN 0.129 nan 8.150 nan 0.000 0.490 360 A N 0.634 123.480 122.820 0.043 0.000 2.095 360 A HA 0.560 4.879 4.320 -0.000 0.000 0.212 360 A C 1.147 178.748 177.584 0.028 0.000 1.162 360 A CA 1.557 53.616 52.037 0.036 0.000 0.753 360 A CB -0.283 18.736 19.000 0.032 0.000 0.840 360 A HN 2.286 nan 8.150 nan 0.000 0.468 361 G N -2.424 106.385 108.800 0.015 0.000 2.452 361 G HA2 0.488 4.448 3.960 -0.000 0.000 0.224 361 G HA3 0.488 4.448 3.960 -0.000 0.000 0.224 361 G C -0.323 174.561 174.900 -0.027 0.000 1.208 361 G CA 0.101 45.201 45.100 0.001 0.000 0.946 361 G HN 1.009 nan 8.290 nan 0.000 0.481 362 G N -1.005 107.775 108.800 -0.032 0.000 2.519 362 G HA2 0.697 4.657 3.960 -0.000 0.000 0.307 362 G HA3 0.697 4.657 3.960 -0.000 0.000 0.307 362 G C -1.790 173.084 174.900 -0.044 0.000 1.266 362 G CA -0.537 44.532 45.100 -0.052 0.000 0.970 362 G HN 1.211 nan 8.290 nan 0.000 0.481 363 I N 1.684 122.223 120.570 -0.052 0.000 2.503 363 I HA 0.596 4.766 4.170 -0.000 0.000 0.282 363 I C -0.444 175.645 176.117 -0.047 0.000 1.059 363 I CA -0.868 60.406 61.300 -0.043 0.000 1.081 363 I CB 1.576 39.553 38.000 -0.038 0.000 1.210 363 I HN 0.589 nan 8.210 nan 0.000 0.450 364 V N 4.115 124.004 119.914 -0.042 0.000 3.040 364 V HA 0.964 5.084 4.120 -0.000 0.000 0.312 364 V C -1.140 174.934 176.094 -0.032 0.000 1.115 364 V CA -0.346 61.928 62.300 -0.043 0.000 0.998 364 V CB 1.940 33.733 31.823 -0.049 0.000 1.042 364 V HN 0.791 nan 8.190 nan 0.000 0.433 365 D N 1.199 121.581 120.400 -0.029 0.000 2.958 365 D HA 0.484 5.124 4.640 -0.000 0.000 0.306 365 D C 0.986 177.277 176.300 -0.015 0.000 1.226 365 D CA 0.176 54.164 54.000 -0.020 0.000 1.032 365 D CB 0.888 41.679 40.800 -0.015 0.000 1.400 365 D HN 0.808 nan 8.370 nan 0.000 0.587 366 G N -1.242 107.555 108.800 -0.006 0.000 2.679 366 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.212 366 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.212 366 G C 1.058 175.959 174.900 0.002 0.000 1.137 366 G CA 1.098 46.200 45.100 0.003 0.000 0.787 366 G HN 0.528 nan 8.290 nan 0.000 0.534 367 S N -0.875 114.822 115.700 -0.005 0.000 2.492 367 S HA -0.001 4.469 4.470 -0.000 0.000 0.218 367 S C 2.108 176.699 174.600 -0.016 0.000 1.016 367 S CA 1.133 59.329 58.200 -0.006 0.000 0.916 367 S CB -0.234 62.962 63.200 -0.006 0.000 0.791 367 S HN 0.112 nan 8.310 nan 0.000 0.513 368 T N 3.350 117.888 114.554 -0.025 0.000 2.620 368 T HA -0.173 4.177 4.350 -0.000 0.000 0.267 368 T C 2.135 176.810 174.700 -0.041 0.000 1.044 368 T CA 2.056 64.133 62.100 -0.040 0.000 1.161 368 T CB -0.976 67.862 68.868 -0.050 0.000 0.862 368 T HN 0.676 nan 8.240 nan 0.000 0.438 369 A N 2.218 125.016 122.820 -0.038 0.000 1.902 369 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 369 A C 2.193 179.770 177.584 -0.012 0.000 1.181 369 A CA 1.961 53.976 52.037 -0.036 0.000 0.623 369 A CB -0.487 18.486 19.000 -0.044 0.000 0.818 369 A HN 0.755 nan 8.150 nan 0.000 0.443 370 K N -1.180 119.217 120.400 -0.004 0.000 2.217 370 K HA -0.025 4.295 4.320 -0.000 0.000 0.202 370 K C 1.631 178.233 176.600 0.002 0.000 1.051 370 K CA 1.530 57.821 56.287 0.007 0.000 0.952 370 K CB -0.681 31.825 32.500 0.011 0.000 0.736 370 K HN 0.246 nan 8.250 nan 0.000 0.453 371 T N 2.332 116.881 114.554 -0.009 0.000 2.746 371 T HA -0.064 4.286 4.350 -0.000 0.000 0.267 371 T C 1.849 176.542 174.700 -0.011 0.000 1.039 371 T CA 1.183 63.275 62.100 -0.013 0.000 1.142 371 T CB -0.214 68.639 68.868 -0.025 0.000 0.866 371 T HN 0.126 nan 8.240 nan 0.000 0.444 372 L N 0.354 121.568 121.223 -0.016 0.000 2.017 372 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 372 L C 2.676 179.563 176.870 0.029 0.000 1.073 372 L CA 1.445 56.282 54.840 -0.005 0.000 0.745 372 L CB -0.425 41.623 42.059 -0.018 0.000 0.894 372 L HN 0.215 nan 8.230 nan 0.000 0.432 373 K N 0.240 120.659 120.400 0.032 0.000 2.063 373 K HA -0.077 4.243 4.320 -0.000 0.000 0.208 373 K C 1.219 177.840 176.600 0.034 0.000 1.048 373 K CA 0.930 57.243 56.287 0.043 0.000 0.928 373 K CB -0.308 32.218 32.500 0.044 0.000 0.713 373 K HN 0.288 nan 8.250 nan 0.000 0.442 377 E N 0.846 121.105 120.200 0.098 0.000 2.248 377 E HA 0.423 4.773 4.350 -0.000 0.000 0.272 377 E C -1.360 175.339 176.600 0.165 0.000 1.008 377 E CA -0.500 56.004 56.400 0.172 0.000 0.856 377 E CB 2.340 32.181 29.700 0.235 0.000 1.120 377 E HN 0.137 nan 8.360 nan 0.000 0.397 378 D N 1.996 122.511 120.400 0.192 0.000 2.414 378 D HA 0.250 4.889 4.640 -0.000 0.000 0.232 378 D C -1.971 174.473 176.300 0.240 0.000 1.070 378 D CA -2.378 51.726 54.000 0.174 0.000 0.839 378 D CB 1.524 42.398 40.800 0.124 0.000 1.079 378 D HN -0.085 nan 8.370 nan 0.000 0.521 379 P HA -0.174 nan 4.420 nan 0.000 0.216 379 P C 0.764 178.084 177.300 0.034 0.000 1.153 379 P CA 1.233 64.380 63.100 0.079 0.000 0.858 379 P CB 0.019 31.643 31.700 -0.127 0.000 0.789 380 Y N -0.914 119.435 120.300 0.081 0.000 2.224 380 Y HA -0.183 4.367 4.550 -0.000 0.000 0.289 380 Y C 2.704 178.620 175.900 0.026 0.000 1.146 380 Y CA 1.205 59.333 58.100 0.047 0.000 1.182 380 Y CB -0.910 37.564 38.460 0.023 0.000 0.983 380 Y HN -0.057 nan 8.280 nan 0.000 0.524 381 Q N -0.936 118.953 119.800 0.148 0.000 2.119 381 Q HA -0.159 4.181 4.340 -0.000 0.000 0.201 381 Q C 1.732 177.668 176.000 -0.106 0.000 0.972 381 Q CA 1.588 57.379 55.803 -0.020 0.000 0.847 381 Q CB -0.504 28.162 28.738 -0.120 0.000 0.903 381 Q HN 0.582 nan 8.270 nan 0.000 0.433 382 Y N -1.024 119.302 120.300 0.044 0.000 2.242 382 Y HA -0.158 4.392 4.550 -0.000 0.000 0.291 382 Y C 1.818 177.734 175.900 0.027 0.000 1.137 382 Y CA 0.901 59.018 58.100 0.029 0.000 1.181 382 Y CB -0.207 38.261 38.460 0.013 0.000 0.989 382 Y HN 0.158 nan 8.280 nan 0.000 0.527 383 L N 0.685 122.004 121.223 0.161 0.000 2.044 383 L HA -0.143 4.197 4.340 -0.000 0.000 0.205 383 L C 2.372 179.291 176.870 0.082 0.000 1.075 383 L CA 1.783 56.684 54.840 0.100 0.000 0.747 383 L CB -0.826 41.271 42.059 0.063 0.000 0.903 383 L HN 0.101 nan 8.230 nan 0.000 0.435 384 K N -0.731 119.718 120.400 0.082 0.000 2.160 384 K HA -0.250 4.070 4.320 -0.000 0.000 0.206 384 K C 1.511 178.132 176.600 0.036 0.000 1.047 384 K CA 1.864 58.186 56.287 0.057 0.000 0.930 384 K CB -0.153 32.377 32.500 0.049 0.000 0.720 384 K HN 0.301 nan 8.250 nan 0.000 0.450 385 N N 0.653 119.370 118.700 0.029 0.000 2.322 385 N HA 0.016 4.756 4.740 -0.000 0.000 0.194 385 N C -0.937 174.600 175.510 0.045 0.000 1.126 385 N CA 0.175 53.237 53.050 0.020 0.000 0.845 385 N CB 0.022 38.500 38.487 -0.015 0.000 0.976 385 N HN 0.240 nan 8.380 nan 0.000 0.475 386 N N 0.066 118.802 118.700 0.061 0.000 2.740 386 N HA -0.213 4.526 4.740 -0.000 0.000 0.248 386 N C -1.169 174.395 175.510 0.090 0.000 1.062 386 N CA 0.732 53.822 53.050 0.066 0.000 0.704 386 N CB -0.892 37.621 38.487 0.045 0.000 0.968 386 N HN 0.275 nan 8.380 nan 0.000 0.547 387 D N -0.878 119.605 120.400 0.138 0.000 2.891 387 D HA 0.238 4.878 4.640 -0.000 0.000 0.312 387 D C 0.943 177.371 176.300 0.213 0.000 1.354 387 D CA 0.207 54.325 54.000 0.197 0.000 0.838 387 D CB 0.055 41.017 40.800 0.271 0.000 1.117 387 D HN 0.285 nan 8.370 nan 0.000 0.473 388 S N -0.510 115.274 115.700 0.141 0.000 2.370 388 S HA -0.283 4.187 4.470 -0.000 0.000 0.226 388 S C 2.029 176.662 174.600 0.056 0.000 1.033 388 S CA 0.666 58.913 58.200 0.078 0.000 1.011 388 S CB -0.780 62.454 63.200 0.056 0.000 0.852 388 S HN 0.497 nan 8.310 nan 0.000 0.457 389 Y N 3.638 123.931 120.300 -0.012 0.000 2.069 389 Y HA -0.278 4.272 4.550 -0.000 0.000 0.278 389 Y C 2.228 178.090 175.900 -0.063 0.000 1.175 389 Y CA 2.198 60.281 58.100 -0.028 0.000 1.134 389 Y CB -0.713 37.743 38.460 -0.007 0.000 0.965 389 Y HN 0.194 nan 8.280 nan 0.000 0.498 390 N N 0.147 118.956 118.700 0.183 0.000 2.188 390 N HA -0.139 4.601 4.740 -0.000 0.000 0.184 390 N C 1.942 177.281 175.510 -0.285 0.000 1.018 390 N CA 1.338 54.407 53.050 0.032 0.000 0.858 390 N CB -0.773 37.788 38.487 0.123 0.000 0.989 390 N HN 0.542 nan 8.380 nan 0.000 0.426 391 A N 1.006 123.551 122.820 -0.458 0.000 1.902 391 A HA -0.051 4.269 4.320 -0.000 0.000 0.217 391 A C 2.324 179.706 177.584 -0.336 0.000 1.181 391 A CA 0.954 52.616 52.037 -0.626 0.000 0.623 391 A CB -0.650 18.046 19.000 -0.507 0.000 0.818 391 A HN 0.219 nan 8.150 nan 0.000 0.443 392 L N -0.746 120.322 121.223 -0.258 0.000 2.109 392 L HA -0.116 4.224 4.340 -0.000 0.000 0.207 392 L C 3.160 179.883 176.870 -0.245 0.000 1.086 392 L CA 1.443 56.147 54.840 -0.226 0.000 0.760 392 L CB -0.671 41.260 42.059 -0.213 0.000 0.910 392 L HN 0.473 nan 8.230 nan 0.000 0.437 393 K N 1.007 121.221 120.400 -0.310 0.000 2.063 393 K HA -0.203 4.117 4.320 -0.000 0.000 0.208 393 K C 2.063 178.569 176.600 -0.158 0.000 1.048 393 K CA 1.773 57.907 56.287 -0.255 0.000 0.928 393 K CB -0.751 31.602 32.500 -0.245 0.000 0.713 393 K HN 0.336 nan 8.250 nan 0.000 0.442 394 K N 0.754 121.057 120.400 -0.160 0.000 2.283 394 K HA -0.055 4.265 4.320 -0.000 0.000 0.202 394 K C 1.711 178.249 176.600 -0.103 0.000 1.048 394 K CA 1.523 57.738 56.287 -0.120 0.000 0.948 394 K CB 0.099 32.511 32.500 -0.146 0.000 0.742 394 K HN 0.575 nan 8.250 nan 0.000 0.458 395 S N -1.122 114.505 115.700 -0.121 0.000 2.663 395 S HA 0.231 4.701 4.470 -0.000 0.000 0.243 395 S C 0.854 175.403 174.600 -0.084 0.000 1.009 395 S CA -0.097 58.047 58.200 -0.093 0.000 0.988 395 S CB 0.896 64.037 63.200 -0.099 0.000 0.896 395 S HN 0.313 nan 8.310 nan 0.000 0.502 396 G N 0.927 109.672 108.800 -0.093 0.000 2.273 396 G HA2 -0.110 3.849 3.960 -0.000 0.000 0.280 396 G HA3 -0.110 3.849 3.960 -0.000 0.000 0.280 396 G C 0.500 175.350 174.900 -0.084 0.000 1.047 396 G CA 0.047 45.099 45.100 -0.081 0.000 0.869 396 G HN 1.370 nan 8.290 nan 0.000 0.502 397 A N -0.613 122.142 122.820 -0.109 0.000 2.571 397 A HA 0.672 4.992 4.320 -0.000 0.000 0.274 397 A C 0.837 178.351 177.584 -0.116 0.000 1.196 397 A CA -0.185 51.793 52.037 -0.099 0.000 0.957 397 A CB 0.423 19.365 19.000 -0.096 0.000 1.150 397 A HN 0.532 nan 8.150 nan 0.000 0.539 398 L N 0.757 121.891 121.223 -0.148 0.000 2.349 398 L HA 0.338 4.678 4.340 -0.000 0.000 0.275 398 L C -0.262 176.550 176.870 -0.096 0.000 1.115 398 L CA -0.597 54.146 54.840 -0.163 0.000 0.820 398 L CB 1.461 43.364 42.059 -0.259 0.000 1.135 398 L HN 0.380 nan 8.230 nan 0.000 0.445 399 L N 5.724 126.907 121.223 -0.067 0.000 2.257 399 L HA 0.422 4.762 4.340 -0.000 0.000 0.290 399 L C -0.510 176.349 176.870 -0.018 0.000 1.044 399 L CA 0.190 55.010 54.840 -0.035 0.000 0.810 399 L CB 0.497 42.543 42.059 -0.020 0.000 1.193 399 L HN 0.314 nan 8.230 nan 0.000 0.425 400 I N 5.515 126.079 120.570 -0.011 0.000 2.354 400 I HA 0.240 4.410 4.170 -0.000 0.000 0.286 400 I C 0.946 177.072 176.117 0.016 0.000 1.007 400 I CA -0.144 61.160 61.300 0.007 0.000 1.167 400 I CB 1.210 39.212 38.000 0.004 0.000 1.320 400 I HN 0.779 nan 8.210 nan 0.000 0.458 401 T N 1.323 115.893 114.554 0.026 0.000 3.018 401 T HA 0.396 4.746 4.350 -0.000 0.000 0.246 401 T C 0.924 175.646 174.700 0.037 0.000 1.026 401 T CA 0.362 62.484 62.100 0.037 0.000 1.081 401 T CB 0.705 69.605 68.868 0.052 0.000 0.970 401 T HN 0.943 nan 8.240 nan 0.000 0.475 402 G N 2.459 111.276 108.800 0.027 0.000 2.712 402 G HA2 0.062 4.022 3.960 -0.000 0.000 0.683 402 G HA3 0.062 4.022 3.960 -0.000 0.000 0.683 402 G C -3.059 171.842 174.900 0.003 0.000 1.320 402 G CA -0.709 44.399 45.100 0.013 0.000 0.847 402 G HN 0.432 nan 8.290 nan 0.000 0.553 403 P HA 0.158 nan 4.420 nan 0.000 0.267 403 P C 1.129 178.378 177.300 -0.085 0.000 1.205 403 P CA 0.872 63.940 63.100 -0.054 0.000 0.765 403 P CB 0.831 32.479 31.700 -0.086 0.000 0.828 404 T N -1.126 113.368 114.554 -0.100 0.000 3.054 404 T HA 0.175 4.525 4.350 -0.000 0.000 0.259 404 T C 1.411 175.828 174.700 -0.472 0.000 1.092 404 T CA 0.753 62.724 62.100 -0.214 0.000 1.121 404 T CB -0.828 68.008 68.868 -0.053 0.000 0.912 404 T HN 0.631 nan 8.240 nan 0.000 0.489 405 G N 0.540 109.168 108.800 -0.286 0.000 2.143 405 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.248 405 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.248 405 G C 0.133 174.908 174.900 -0.208 0.000 0.991 405 G CA 0.527 45.470 45.100 -0.262 0.000 0.689 405 G HN 0.994 nan 8.290 nan 0.000 0.522 406 T N -1.289 113.175 114.554 -0.150 0.000 2.841 406 T HA 0.640 4.990 4.350 -0.000 0.000 0.296 406 T C -1.619 173.074 174.700 -0.012 0.000 1.166 406 T CA 0.058 62.126 62.100 -0.054 0.000 1.007 406 T CB 1.905 70.776 68.868 0.005 0.000 1.253 406 T HN 0.676 nan 8.240 nan 0.000 0.511 407 N N 1.286 119.988 118.700 0.004 0.000 2.572 407 N HA 0.366 5.106 4.740 -0.000 0.000 0.287 407 N C -0.695 174.824 175.510 0.014 0.000 1.136 407 N CA -0.393 52.665 53.050 0.013 0.000 0.900 407 N CB 1.445 39.937 38.487 0.008 0.000 1.484 407 N HN 0.584 nan 8.380 nan 0.000 0.526 408 V N 0.434 120.362 119.914 0.024 0.000 2.771 408 V HA 0.573 4.692 4.120 -0.000 0.000 0.355 408 V C 0.460 176.565 176.094 0.018 0.000 1.289 408 V CA -0.223 62.088 62.300 0.018 0.000 1.231 408 V CB -1.444 30.392 31.823 0.023 0.000 1.396 408 V HN 0.788 nan 8.190 nan 0.000 0.628 409 N N 0.709 119.420 118.700 0.019 0.000 1.259 409 N HA -0.208 4.531 4.740 -0.000 0.000 0.146 409 N C -0.736 174.789 175.510 0.024 0.000 0.871 409 N CA 1.678 54.739 53.050 0.018 0.000 0.962 409 N CB -0.944 37.550 38.487 0.013 0.000 1.203 409 N HN 0.664 nan 8.380 nan 0.000 0.552 410 D N 0.601 121.015 120.400 0.024 0.000 2.248 410 D HA 0.568 5.207 4.640 -0.000 0.000 0.246 410 D C -1.030 175.291 176.300 0.035 0.000 1.027 410 D CA -0.343 53.673 54.000 0.028 0.000 0.853 410 D CB 1.765 42.579 40.800 0.022 0.000 1.243 410 D HN 0.402 nan 8.370 nan 0.000 0.462 411 L N 2.248 123.493 121.223 0.037 0.000 2.333 411 L HA 0.560 4.900 4.340 -0.000 0.000 0.280 411 L C -1.515 175.387 176.870 0.054 0.000 1.004 411 L CA -0.471 54.396 54.840 0.044 0.000 0.820 411 L CB 1.214 43.291 42.059 0.030 0.000 1.247 411 L HN 0.255 nan 8.230 nan 0.000 0.416 412 I N 5.822 126.451 120.570 0.098 0.000 2.465 412 I HA 0.608 4.778 4.170 -0.000 0.000 0.291 412 I C -0.606 175.617 176.117 0.176 0.000 1.014 412 I CA -0.269 61.101 61.300 0.117 0.000 1.093 412 I CB 2.083 40.149 38.000 0.109 0.000 1.267 412 I HN 0.317 nan 8.210 nan 0.000 0.431 413 I N 3.322 123.954 120.570 0.104 0.000 2.498 413 I HA 0.831 5.001 4.170 -0.000 0.000 0.290 413 I C 0.323 176.471 176.117 0.052 0.000 1.032 413 I CA -0.670 60.669 61.300 0.065 0.000 1.073 413 I CB 1.550 39.537 38.000 -0.023 0.000 1.251 413 I HN 0.785 nan 8.210 nan 0.000 0.426 414 G N 4.979 113.822 108.800 0.072 0.000 2.544 414 G HA2 0.743 4.703 3.960 -0.000 0.000 0.313 414 G HA3 0.743 4.703 3.960 -0.000 0.000 0.313 414 G C -1.107 173.756 174.900 -0.061 0.000 1.316 414 G CA -0.413 44.708 45.100 0.036 0.000 0.944 414 G HN 0.630 nan 8.290 nan 0.000 0.489 415 L N 2.160 123.319 121.223 -0.107 0.000 2.329 415 L HA 0.624 4.964 4.340 -0.000 0.000 0.279 415 L C -0.829 176.006 176.870 -0.057 0.000 1.014 415 L CA -0.923 53.808 54.840 -0.181 0.000 0.814 415 L CB 2.061 43.955 42.059 -0.275 0.000 1.257 415 L HN 0.321 nan 8.230 nan 0.000 0.424 416 I N 3.446 124.012 120.570 -0.006 0.000 2.533 416 I HA 0.607 4.777 4.170 -0.000 0.000 0.290 416 I C -0.084 176.082 176.117 0.082 0.000 1.056 416 I CA -0.550 60.761 61.300 0.018 0.000 1.057 416 I CB 2.078 40.071 38.000 -0.012 0.000 1.240 416 I HN 0.338 nan 8.210 nan 0.000 0.423 417 V N 0.000 119.944 119.914 0.050 0.000 2.409 417 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 417 V CA 0.000 62.330 62.300 0.050 0.000 1.235 417 V CB 0.000 31.871 31.823 0.080 0.000 1.184 417 V HN 0.000 nan 8.190 nan 0.000 0.556