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_B 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 0.000 177.307 177.300 0.011 0.000 1.155 4 P CA 0.000 63.107 63.100 0.011 0.000 0.800 4 P CB 0.000 31.704 31.700 0.006 0.000 0.726 5 E N 1.347 121.552 120.200 0.008 0.000 2.158 5 E HA -0.069 4.281 4.350 0.000 0.000 0.191 5 E C 1.637 178.243 176.600 0.011 0.000 0.982 5 E CA 1.538 57.942 56.400 0.006 0.000 0.823 5 E CB 0.258 29.960 29.700 0.003 0.000 0.766 5 E HN 0.429 nan 8.360 nan 0.000 0.468 6 S N 0.714 116.422 115.700 0.014 0.000 2.399 6 S HA -0.168 4.302 4.470 0.000 0.000 0.231 6 S C 2.031 176.652 174.600 0.035 0.000 1.022 6 S CA 0.694 58.907 58.200 0.020 0.000 0.983 6 S CB -0.332 62.878 63.200 0.017 0.000 0.803 6 S HN 0.204 nan 8.310 nan 0.000 0.480 7 L N 1.644 122.891 121.223 0.040 0.000 2.056 7 L HA 0.123 4.463 4.340 0.000 0.000 0.207 7 L C 2.507 179.402 176.870 0.042 0.000 1.078 7 L CA 1.749 56.626 54.840 0.062 0.000 0.749 7 L CB -0.742 41.356 42.059 0.065 0.000 0.901 7 L HN 0.230 nan 8.230 nan 0.000 0.433 8 K N -0.481 119.932 120.400 0.023 0.000 2.020 8 K HA -0.256 4.064 4.320 0.000 0.000 0.212 8 K C 2.148 178.754 176.600 0.009 0.000 1.050 8 K CA 2.051 58.343 56.287 0.010 0.000 0.929 8 K CB -0.073 32.428 32.500 0.003 0.000 0.714 8 K HN 0.284 nan 8.250 nan 0.000 0.443 9 K N 0.169 120.578 120.400 0.014 0.000 2.097 9 K HA -0.149 4.171 4.320 0.000 0.000 0.206 9 K C 2.029 178.640 176.600 0.018 0.000 1.049 9 K CA 0.872 57.166 56.287 0.013 0.000 0.933 9 K CB -0.109 32.399 32.500 0.013 0.000 0.717 9 K HN 0.062 nan 8.250 nan 0.000 0.442 10 L N 0.907 122.150 121.223 0.033 0.000 2.093 10 L HA -0.084 4.256 4.340 0.000 0.000 0.208 10 L C 2.154 179.034 176.870 0.017 0.000 1.085 10 L CA 1.573 56.443 54.840 0.049 0.000 0.755 10 L CB -0.616 41.508 42.059 0.108 0.000 0.904 10 L HN 0.098 nan 8.230 nan 0.000 0.435 11 A N -0.701 122.117 122.820 -0.003 0.000 1.930 11 A HA -0.131 4.189 4.320 0.000 0.000 0.217 11 A C 2.257 179.825 177.584 -0.028 0.000 1.175 11 A CA 1.716 53.730 52.037 -0.039 0.000 0.627 11 A CB -0.688 18.288 19.000 -0.039 0.000 0.815 11 A HN 0.449 nan 8.150 nan 0.000 0.443 12 I N -0.662 119.900 120.570 -0.012 0.000 2.179 12 I HA -0.247 3.923 4.170 0.000 0.000 0.242 12 I C 2.568 178.680 176.117 -0.009 0.000 1.088 12 I CA 1.713 63.008 61.300 -0.008 0.000 1.357 12 I CB -0.280 37.719 38.000 -0.002 0.000 1.051 12 I HN 0.490 nan 8.210 nan 0.000 0.409 13 E N 1.341 121.537 120.200 -0.006 0.000 2.085 13 E HA -0.236 4.114 4.350 0.000 0.000 0.194 13 E C 2.342 178.930 176.600 -0.020 0.000 0.994 13 E CA 1.403 57.799 56.400 -0.008 0.000 0.801 13 E CB -0.013 29.688 29.700 0.002 0.000 0.743 13 E HN 0.459 nan 8.360 nan 0.000 0.453 14 I N 0.293 120.848 120.570 -0.026 0.000 2.179 14 I HA -0.271 3.899 4.170 0.000 0.000 0.242 14 I C 2.427 178.518 176.117 -0.044 0.000 1.088 14 I CA 0.730 62.005 61.300 -0.042 0.000 1.357 14 I CB -0.165 37.793 38.000 -0.069 0.000 1.051 14 I HN 0.057 nan 8.210 nan 0.000 0.409 15 V N 0.898 120.791 119.914 -0.036 0.000 2.295 15 V HA -0.312 3.808 4.120 0.000 0.000 0.246 15 V C 2.435 178.514 176.094 -0.025 0.000 1.049 15 V CA 1.916 64.201 62.300 -0.025 0.000 1.024 15 V CB -0.663 31.153 31.823 -0.011 0.000 0.648 15 V HN 0.382 nan 8.190 nan 0.000 0.447 16 K N 0.009 120.395 120.400 -0.022 0.000 2.002 16 K HA -0.180 4.140 4.320 0.000 0.000 0.209 16 K C 2.199 178.751 176.600 -0.080 0.000 1.048 16 K CA 1.557 57.829 56.287 -0.025 0.000 0.930 16 K CB -0.237 32.258 32.500 -0.009 0.000 0.714 16 K HN 0.404 nan 8.250 nan 0.000 0.438 17 K N 0.355 120.707 120.400 -0.080 0.000 2.288 17 K HA -0.002 4.318 4.320 0.000 0.000 0.201 17 K C 2.168 178.691 176.600 -0.128 0.000 1.048 17 K CA 0.838 57.056 56.287 -0.115 0.000 0.956 17 K CB 0.115 32.568 32.500 -0.078 0.000 0.746 17 K HN 0.004 nan 8.250 nan 0.000 0.461 18 S N 1.465 117.110 115.700 -0.092 0.000 2.368 18 S HA -0.059 4.411 4.470 0.000 0.000 0.224 18 S C 1.945 176.489 174.600 -0.094 0.000 1.029 18 S CA 0.965 59.117 58.200 -0.080 0.000 0.988 18 S CB -0.138 63.030 63.200 -0.053 0.000 0.838 18 S HN 0.207 nan 8.310 nan 0.000 0.462 19 I N 1.639 122.153 120.570 -0.093 0.000 2.315 19 I HA -0.164 4.006 4.170 0.000 0.000 0.248 19 I C 2.380 178.347 176.117 -0.251 0.000 1.117 19 I CA 1.062 62.321 61.300 -0.068 0.000 1.404 19 I CB -0.467 37.553 38.000 0.034 0.000 1.071 19 I HN 0.303 nan 8.210 nan 0.000 0.419 20 E N 1.122 120.974 120.200 -0.580 0.000 2.187 20 E HA -0.293 4.058 4.350 0.000 0.000 0.199 20 E C 2.266 178.569 176.600 -0.495 0.000 1.004 20 E CA 1.381 57.145 56.400 -1.060 0.000 0.813 20 E CB -0.255 29.009 29.700 -0.726 0.000 0.736 20 E HN 0.568 nan 8.360 nan 0.000 0.468 21 A N 0.971 123.645 122.820 -0.243 0.000 2.070 21 A HA -0.119 4.201 4.320 0.000 0.000 0.220 21 A C 2.121 179.682 177.584 -0.037 0.000 1.159 21 A CA 1.443 53.414 52.037 -0.110 0.000 0.656 21 A CB -0.253 18.702 19.000 -0.076 0.000 0.800 21 A HN 0.235 nan 8.150 nan 0.000 0.453 22 V N -4.557 115.359 119.914 0.003 0.000 3.006 22 V HA 0.458 4.578 4.120 0.000 0.000 0.357 22 V C -0.181 176.059 176.094 0.244 0.000 1.377 22 V CA -1.049 61.307 62.300 0.093 0.000 1.198 22 V CB -1.075 30.792 31.823 0.074 0.000 1.216 22 V HN 0.122 nan 8.190 nan 0.000 0.520 23 F N 2.465 122.419 119.950 0.007 0.000 2.518 23 F HA 0.398 4.925 4.527 0.000 0.000 0.359 23 F C -0.668 175.140 175.800 0.013 0.000 1.118 23 F CA -2.222 55.786 58.000 0.013 0.000 1.287 23 F CB 0.818 39.828 39.000 0.016 0.000 1.132 23 F HN 0.116 nan 8.300 nan 0.000 0.587 24 P HA -0.223 nan 4.420 nan 0.000 0.215 24 P C 1.426 178.776 177.300 0.084 0.000 1.157 24 P CA 1.747 64.895 63.100 0.080 0.000 0.874 24 P CB 0.139 31.862 31.700 0.038 0.000 0.790 25 D N -0.679 119.782 120.400 0.101 0.000 2.103 25 D HA -0.231 4.409 4.640 0.000 0.000 0.190 25 D C 2.203 178.552 176.300 0.081 0.000 0.997 25 D CA 1.474 55.525 54.000 0.086 0.000 0.833 25 D CB -0.390 40.475 40.800 0.107 0.000 0.961 25 D HN -0.075 nan 8.370 nan 0.000 0.447 26 R N -0.355 120.215 120.500 0.116 0.000 2.092 26 R HA -0.040 4.300 4.340 0.000 0.000 0.231 26 R C 2.183 178.512 176.300 0.048 0.000 1.119 26 R CA 1.344 57.487 56.100 0.072 0.000 0.970 26 R CB -0.350 29.989 30.300 0.065 0.000 0.864 26 R HN 0.239 nan 8.270 nan 0.000 0.440 27 A N 0.207 123.065 122.820 0.062 0.000 1.902 27 A HA -0.096 4.224 4.320 0.000 0.000 0.217 27 A C 2.223 179.819 177.584 0.020 0.000 1.181 27 A CA 1.605 53.665 52.037 0.038 0.000 0.623 27 A CB -0.505 18.523 19.000 0.047 0.000 0.818 27 A HN 0.224 nan 8.150 nan 0.000 0.443 28 V N 0.018 119.945 119.914 0.022 0.000 2.270 28 V HA -0.250 3.870 4.120 0.000 0.000 0.245 28 V C 2.416 178.509 176.094 -0.002 0.000 1.043 28 V CA 2.343 64.648 62.300 0.007 0.000 1.014 28 V CB -0.684 31.146 31.823 0.012 0.000 0.645 28 V HN 0.537 nan 8.190 nan 0.000 0.447 29 K N -0.159 120.244 120.400 0.005 0.000 2.147 29 K HA -0.181 4.139 4.320 0.000 0.000 0.205 29 K C 1.997 178.591 176.600 -0.010 0.000 1.049 29 K CA 1.471 57.756 56.287 -0.003 0.000 0.936 29 K CB -0.150 32.352 32.500 0.003 0.000 0.722 29 K HN 0.547 nan 8.250 nan 0.000 0.446 30 E N -0.557 119.639 120.200 -0.008 0.000 2.427 30 E HA -0.061 4.289 4.350 0.000 0.000 0.196 30 E C 1.077 177.661 176.600 -0.026 0.000 1.028 30 E CA 0.817 57.208 56.400 -0.014 0.000 0.864 30 E CB 0.361 30.056 29.700 -0.008 0.000 0.813 30 E HN 0.230 nan 8.360 nan 0.000 0.514 31 T N 0.119 114.650 114.554 -0.037 0.000 3.098 31 T HA 0.014 4.364 4.350 0.000 0.000 0.246 31 T C 1.491 176.134 174.700 -0.096 0.000 0.983 31 T CA -0.253 61.803 62.100 -0.073 0.000 1.094 31 T CB 0.012 68.832 68.868 -0.079 0.000 1.035 31 T HN -0.001 nan 8.240 nan 0.000 0.456 32 L N 2.853 124.035 121.223 -0.067 0.000 2.042 32 L HA 0.057 4.398 4.340 0.000 0.000 0.210 32 L C -1.122 175.718 176.870 -0.051 0.000 1.076 32 L CA 2.053 56.857 54.840 -0.060 0.000 0.749 32 L CB -1.284 40.759 42.059 -0.027 0.000 0.893 32 L HN 0.102 nan 8.230 nan 0.000 0.432 33 P HA -0.160 nan 4.420 nan 0.000 0.215 33 P C 1.629 178.907 177.300 -0.036 0.000 1.153 33 P CA 2.533 65.614 63.100 -0.032 0.000 0.853 33 P CB -0.247 31.436 31.700 -0.027 0.000 0.788 34 K N 0.226 120.599 120.400 -0.046 0.000 2.218 34 K HA -0.154 4.166 4.320 0.000 0.000 0.205 34 K C 1.978 178.551 176.600 -0.045 0.000 1.046 34 K CA 1.783 58.043 56.287 -0.045 0.000 0.933 34 K CB -1.913 nan 32.500 nan 0.000 0.728 34 K HN 0.203 nan 8.250 nan 0.000 0.454 35 L N -0.998 120.187 121.223 -0.063 0.000 2.418 35 L HA 0.089 4.429 4.340 0.000 0.000 0.218 35 L C 1.564 178.427 176.870 -0.012 0.000 1.125 35 L CA 0.545 55.357 54.840 -0.046 0.000 0.835 35 L CB -1.178 40.837 42.059 -0.073 0.000 0.953 35 L HN 0.693 nan 8.230 nan 0.000 0.454 36 N N 1.030 119.722 118.700 -0.014 0.000 2.696 36 N HA -0.182 4.558 4.740 0.000 0.000 0.256 36 N C -0.042 175.469 175.510 0.002 0.000 1.031 36 N CA 0.746 53.793 53.050 -0.005 0.000 0.730 36 N CB -2.574 35.912 38.487 -0.003 0.000 0.894 36 N HN 0.291 nan 8.380 nan 0.000 0.544 37 L N -0.790 120.435 121.223 0.003 0.000 2.395 37 L HA 0.729 5.069 4.340 0.000 0.000 0.269 37 L C 0.324 177.200 176.870 0.009 0.000 1.133 37 L CA -0.555 54.291 54.840 0.011 0.000 0.812 37 L CB 1.374 43.444 42.059 0.017 0.000 1.125 37 L HN 0.600 nan 8.230 nan 0.000 0.452 38 D N 0.973 121.378 120.400 0.008 0.000 2.570 38 D HA 0.317 4.957 4.640 0.000 0.000 0.244 38 D C -0.647 175.655 176.300 0.003 0.000 1.178 38 D CA -0.552 53.452 54.000 0.006 0.000 0.881 38 D CB 1.709 42.510 40.800 0.002 0.000 1.453 38 D HN 0.383 nan 8.370 nan 0.000 0.447 39 R N 0.085 120.587 120.500 0.004 0.000 3.267 39 R HA -0.110 4.230 4.340 0.000 0.000 0.254 39 R C -0.707 175.591 176.300 -0.004 0.000 0.993 39 R CA 0.189 56.288 56.100 -0.002 0.000 0.670 39 R CB -2.018 28.276 30.300 -0.011 0.000 1.125 39 R HN 0.122 nan 8.270 nan 0.000 0.434 40 V N 2.154 122.071 119.914 0.004 0.000 2.465 40 V HA 0.312 4.432 4.120 0.000 0.000 0.279 40 V C 0.677 176.761 176.094 -0.017 0.000 1.045 40 V CA -0.454 61.846 62.300 0.000 0.000 0.938 40 V CB 1.534 33.365 31.823 0.014 0.000 0.986 40 V HN 0.124 nan 8.190 nan 0.000 0.467 41 I N 5.482 126.036 120.570 -0.027 0.000 2.312 41 I HA 0.374 4.545 4.170 0.000 0.000 0.290 41 I C -0.200 175.883 176.117 -0.056 0.000 1.008 41 I CA 0.029 61.300 61.300 -0.049 0.000 1.226 41 I CB 1.403 39.383 38.000 -0.033 0.000 1.371 41 I HN 0.508 nan 8.210 nan 0.000 0.468 42 L N 7.850 128.991 121.223 -0.138 0.000 2.264 42 L HA 0.623 4.963 4.340 0.000 0.000 0.289 42 L C -1.013 175.777 176.870 -0.134 0.000 1.044 42 L CA -0.369 54.382 54.840 -0.149 0.000 0.807 42 L CB 0.715 42.596 42.059 -0.298 0.000 1.192 42 L HN 0.317 nan 8.230 nan 0.000 0.425 43 V N 5.315 125.232 119.914 0.005 0.000 2.378 43 V HA 0.691 4.811 4.120 0.000 0.000 0.288 43 V C 0.050 176.196 176.094 0.088 0.000 1.016 43 V CA -0.391 61.935 62.300 0.043 0.000 0.840 43 V CB 1.278 33.159 31.823 0.095 0.000 0.994 43 V HN 0.862 nan 8.190 nan 0.000 0.431 44 A N 5.147 127.965 122.820 -0.004 0.000 2.311 44 A HA 0.867 5.188 4.320 0.000 0.000 0.306 44 A C -0.966 176.582 177.584 -0.059 0.000 1.189 44 A CA -0.494 51.524 52.037 -0.031 0.000 0.791 44 A CB 1.453 20.431 19.000 -0.036 0.000 1.172 44 A HN 0.645 nan 8.150 nan 0.000 0.481 45 V N 2.007 121.844 119.914 -0.128 0.000 2.577 45 V HA 0.910 5.030 4.120 0.000 0.000 0.303 45 V C 0.481 176.479 176.094 -0.160 0.000 1.042 45 V CA 0.535 62.748 62.300 -0.146 0.000 0.872 45 V CB 1.245 32.916 31.823 -0.253 0.000 0.998 45 V HN 1.896 nan 8.190 nan 0.000 0.423 46 G N 3.966 112.695 108.800 -0.118 0.000 2.368 46 G HA2 0.074 4.035 3.960 0.000 0.000 0.302 46 G HA3 0.074 4.035 3.960 0.000 0.000 0.302 46 G C -0.169 174.651 174.900 -0.132 0.000 1.329 46 G CA -0.445 44.572 45.100 -0.138 0.000 0.935 46 G HN 0.508 nan 8.290 nan 0.000 0.590 47 K N -0.256 120.045 120.400 -0.165 0.000 2.148 47 K HA 0.112 4.432 4.320 0.000 0.000 0.204 47 K C 2.161 178.773 176.600 0.019 0.000 1.050 47 K CA 1.542 57.745 56.287 -0.140 0.000 0.942 47 K CB -0.012 32.395 32.500 -0.155 0.000 0.724 47 K HN 0.623 nan 8.250 nan 0.000 0.446 48 A N 0.414 123.234 122.820 0.001 0.000 2.415 48 A HA 0.352 4.672 4.320 0.000 0.000 0.248 48 A C 1.740 179.357 177.584 0.055 0.000 1.299 48 A CA 0.402 52.462 52.037 0.038 0.000 0.899 48 A CB -0.165 18.839 19.000 0.007 0.000 0.997 48 A HN 0.233 nan 8.150 nan 0.000 0.506 49 A N -0.416 122.435 122.820 0.051 0.000 1.877 49 A HA -0.178 4.142 4.320 0.000 0.000 0.216 49 A C 1.842 179.486 177.584 0.099 0.000 1.186 49 A CA 1.524 53.586 52.037 0.042 0.000 0.620 49 A CB -0.811 18.204 19.000 0.026 0.000 0.822 49 A HN 0.829 nan 8.150 nan 0.000 0.443 50 W N 0.885 122.188 121.300 0.006 0.000 2.335 50 W HA -0.075 4.585 4.660 0.000 0.000 0.311 50 W C 1.424 177.955 176.519 0.021 0.000 1.213 50 W CA 1.602 58.958 57.345 0.019 0.000 1.274 50 W CB 0.003 29.470 29.460 0.011 0.000 1.148 50 W HN 0.157 nan 8.180 nan 0.000 0.498 54 K N 0.835 121.062 120.400 -0.288 0.000 2.074 54 K HA -0.134 4.186 4.320 0.000 0.000 0.209 54 K C 2.003 178.562 176.600 -0.069 0.000 1.048 54 K CA 1.942 58.045 56.287 -0.306 0.000 0.926 54 K CB -0.270 31.896 32.500 -0.556 0.000 0.713 54 K HN 0.569 nan 8.250 nan 0.000 0.444 55 A N 0.803 123.596 122.820 -0.044 0.000 1.930 55 A HA -0.061 4.259 4.320 0.000 0.000 0.217 55 A C 2.293 179.890 177.584 0.023 0.000 1.175 55 A CA 1.735 53.771 52.037 -0.003 0.000 0.627 55 A CB -0.682 18.323 19.000 0.008 0.000 0.815 55 A HN 0.493 nan 8.150 nan 0.000 0.443 56 A N -1.435 121.418 122.820 0.054 0.000 1.930 56 A HA -0.094 4.226 4.320 0.000 0.000 0.217 56 A C 2.120 179.793 177.584 0.148 0.000 1.175 56 A CA 1.645 53.734 52.037 0.086 0.000 0.627 56 A CB -0.791 18.265 19.000 0.093 0.000 0.815 56 A HN 0.709 nan 8.150 nan 0.000 0.443 57 Y N 1.042 121.376 120.300 0.056 0.000 2.181 57 Y HA -0.199 4.351 4.550 0.000 0.000 0.288 57 Y C 2.128 178.016 175.900 -0.020 0.000 1.146 57 Y CA 2.127 60.253 58.100 0.044 0.000 1.164 57 Y CB -0.478 37.912 38.460 -0.117 0.000 0.982 57 Y HN 0.503 nan 8.280 nan 0.000 0.515 58 E N -0.917 119.203 120.200 -0.134 0.000 2.106 58 E HA -0.153 4.197 4.350 0.000 0.000 0.192 58 E C 2.270 178.784 176.600 -0.144 0.000 0.984 58 E CA 1.442 57.715 56.400 -0.213 0.000 0.806 58 E CB -0.189 29.446 29.700 -0.108 0.000 0.750 58 E HN 0.324 nan 8.360 nan 0.000 0.458 59 V N 0.987 120.859 119.914 -0.069 0.000 2.307 59 V HA -0.219 3.901 4.120 0.000 0.000 0.245 59 V C 2.085 178.149 176.094 -0.049 0.000 1.045 59 V CA 1.517 63.788 62.300 -0.047 0.000 1.024 59 V CB -0.219 31.593 31.823 -0.018 0.000 0.651 59 V HN 0.255 nan 8.190 nan 0.000 0.449 60 L N -1.559 119.647 121.223 -0.029 0.000 2.388 60 L HA 0.405 4.746 4.340 0.000 0.000 0.209 60 L C 1.730 178.586 176.870 -0.022 0.000 1.061 60 L CA 0.776 55.614 54.840 -0.004 0.000 0.834 60 L CB -0.623 41.466 42.059 0.049 0.000 1.029 60 L HN 0.521 nan 8.230 nan 0.000 0.473 61 G N 1.315 110.068 108.800 -0.078 0.000 2.611 61 G HA2 -0.414 3.546 3.960 0.000 0.000 0.301 61 G HA3 -0.414 3.546 3.960 0.000 0.000 0.301 61 G C 0.670 175.629 174.900 0.100 0.000 1.233 61 G CA 0.646 45.683 45.100 -0.106 0.000 0.993 61 G HN 0.288 nan 8.290 nan 0.000 0.553 62 K N 0.805 121.245 120.400 0.067 0.000 2.519 62 K HA 0.009 4.329 4.320 0.000 0.000 0.196 62 K C 2.316 178.962 176.600 0.077 0.000 1.041 62 K CA 1.239 57.582 56.287 0.094 0.000 0.954 62 K CB -0.103 32.431 32.500 0.056 0.000 0.774 62 K HN 0.436 nan 8.250 nan 0.000 0.480 63 K N 0.706 121.143 120.400 0.060 0.000 2.362 63 K HA -0.022 4.298 4.320 0.000 0.000 0.200 63 K C 0.345 176.981 176.600 0.060 0.000 1.046 63 K CA 0.569 56.885 56.287 0.047 0.000 0.952 63 K CB -0.003 32.515 32.500 0.030 0.000 0.753 63 K HN 0.135 nan 8.250 nan 0.000 0.466 64 I N 1.094 121.727 120.570 0.105 0.000 2.352 64 I HA -0.024 4.146 4.170 0.000 0.000 0.290 64 I C 1.279 177.451 176.117 0.091 0.000 1.036 64 I CA -0.237 61.121 61.300 0.098 0.000 1.336 64 I CB 1.527 39.628 38.000 0.169 0.000 1.407 64 I HN -0.139 nan 8.210 nan 0.000 0.497 65 R N 3.093 123.614 120.500 0.036 0.000 2.112 65 R HA 0.140 4.480 4.340 0.000 0.000 0.216 65 R C 0.490 176.801 176.300 0.019 0.000 1.080 65 R CA 0.402 56.520 56.100 0.032 0.000 0.996 65 R CB -0.380 29.927 30.300 0.012 0.000 0.902 65 R HN 0.551 nan 8.270 nan 0.000 0.449 66 K N -0.685 119.694 120.400 -0.036 0.000 2.543 66 K HA 0.538 4.858 4.320 0.000 0.000 0.255 66 K C -0.972 175.466 176.600 -0.270 0.000 0.934 66 K CA -0.021 56.216 56.287 -0.083 0.000 0.810 66 K CB 2.207 34.678 32.500 -0.048 0.000 1.315 66 K HN 0.222 nan 8.250 nan 0.000 0.433 67 G N 1.112 109.632 108.800 -0.468 0.000 2.524 67 G HA2 0.680 4.640 3.960 0.000 0.000 0.310 67 G HA3 0.680 4.640 3.960 0.000 0.000 0.310 67 G C -1.670 172.933 174.900 -0.495 0.000 1.279 67 G CA -0.668 43.829 45.100 -1.004 0.000 0.974 67 G HN 0.526 nan 8.290 nan 0.000 0.484 68 V N 1.524 121.223 119.914 -0.359 0.000 2.851 68 V HA 0.740 4.860 4.120 0.000 0.000 0.307 68 V C -1.358 174.679 176.094 -0.096 0.000 1.129 68 V CA -0.536 61.675 62.300 -0.150 0.000 0.932 68 V CB 2.113 33.934 31.823 -0.004 0.000 1.024 68 V HN 0.665 nan 8.190 nan 0.000 0.426 69 V N 6.476 126.356 119.914 -0.057 0.000 2.531 69 V HA 0.635 4.755 4.120 0.000 0.000 0.301 69 V C -0.684 175.454 176.094 0.073 0.000 1.034 69 V CA -0.493 61.814 62.300 0.011 0.000 0.865 69 V CB 2.097 33.952 31.823 0.054 0.000 0.995 69 V HN 0.727 nan 8.190 nan 0.000 0.424 70 V N 3.890 123.854 119.914 0.082 0.000 2.444 70 V HA 0.772 4.892 4.120 0.000 0.000 0.294 70 V C -0.048 176.063 176.094 0.029 0.000 1.022 70 V CA -0.150 62.212 62.300 0.102 0.000 0.850 70 V CB 1.795 33.691 31.823 0.122 0.000 0.992 70 V HN 0.950 nan 8.190 nan 0.000 0.426 71 T N 3.172 117.728 114.554 0.004 0.000 2.681 71 T HA 0.439 4.789 4.350 0.000 0.000 0.296 71 T C -0.664 173.918 174.700 -0.198 0.000 1.157 71 T CA -0.740 61.317 62.100 -0.072 0.000 1.025 71 T CB 1.752 70.636 68.868 0.027 0.000 1.441 71 T HN 0.618 nan 8.240 nan 0.000 0.504 72 K N 1.098 121.292 120.400 -0.342 0.000 2.414 72 K HA 0.199 4.519 4.320 0.000 0.000 0.272 72 K C -0.649 175.829 176.600 -0.204 0.000 0.993 72 K CA -0.034 55.985 56.287 -0.447 0.000 0.964 72 K CB 0.105 32.097 32.500 -0.847 0.000 0.925 72 K HN 0.439 nan 8.250 nan 0.000 0.487 73 Y N 0.437 120.741 120.300 0.007 0.000 2.810 73 Y HA -0.068 4.482 4.550 0.000 0.000 0.332 73 Y C 1.678 177.669 175.900 0.152 0.000 1.243 73 Y CA 1.481 59.623 58.100 0.070 0.000 1.537 73 Y CB -0.146 38.348 38.460 0.056 0.000 1.265 73 Y HN 0.966 nan 8.280 nan 0.000 0.572 74 G N 1.556 110.521 108.800 0.276 0.000 2.184 74 G HA2 -0.367 3.593 3.960 0.000 0.000 0.264 74 G HA3 -0.367 3.593 3.960 0.000 0.000 0.264 74 G C 0.750 175.709 174.900 0.098 0.000 0.975 74 G CA 0.658 45.854 45.100 0.160 0.000 0.642 74 G HN 0.770 nan 8.290 nan 0.000 0.536 75 H N 0.696 119.745 119.070 -0.035 0.000 2.553 75 H HA 0.334 4.890 4.556 0.000 0.000 0.276 75 H C 2.082 177.315 175.328 -0.159 0.000 0.979 75 H CA 0.915 56.915 56.048 -0.079 0.000 1.268 75 H CB 0.333 30.065 29.762 -0.050 0.000 1.450 75 H HN 0.603 nan 8.280 nan 0.000 0.527 76 S N 0.599 116.269 115.700 -0.050 0.000 2.576 76 S HA 0.086 4.556 4.470 0.000 0.000 0.276 76 S C 0.452 174.660 174.600 -0.653 0.000 1.339 76 S CA -0.485 57.542 58.200 -0.289 0.000 1.039 76 S CB 1.213 64.397 63.200 -0.027 0.000 0.902 76 S HN 0.410 nan 8.310 nan 0.000 0.516 77 E N 1.394 120.662 120.200 -1.553 0.000 2.815 77 E HA 0.443 4.793 4.350 0.000 0.000 0.211 77 E C 0.695 176.830 176.600 -0.774 0.000 1.004 77 E CA -0.164 55.441 56.400 -1.325 0.000 1.173 77 E CB 0.259 28.869 29.700 -1.817 0.000 1.163 77 E HN 1.059 nan 8.360 nan 0.000 0.449 78 G N 1.879 110.515 108.800 -0.272 0.000 2.582 78 G HA2 -0.189 3.771 3.960 0.000 0.000 0.222 78 G HA3 -0.189 3.771 3.960 0.000 0.000 0.222 78 G C -2.717 172.379 174.900 0.327 0.000 1.311 78 G CA -1.293 43.846 45.100 0.065 0.000 0.915 78 G HN 0.054 nan 8.290 nan 0.000 0.528 79 P HA 0.514 nan 4.420 nan 0.000 0.269 79 P C -0.096 177.219 177.300 0.025 0.000 1.215 79 P CA -0.025 63.129 63.100 0.091 0.000 0.780 79 P CB 0.415 32.125 31.700 0.017 0.000 0.898 80 I N -0.218 120.210 120.570 -0.237 0.000 2.521 80 I HA 0.264 4.434 4.170 0.000 0.000 0.277 80 I C 1.142 176.670 176.117 -0.982 0.000 1.054 80 I CA -0.129 60.770 61.300 -0.669 0.000 1.117 80 I CB 0.372 37.784 38.000 -0.980 0.000 1.217 80 I HN 0.547 nan 8.210 nan 0.000 0.469 81 D N 4.824 124.789 120.400 -0.726 0.000 4.049 81 D HA -0.350 4.290 4.640 0.000 0.000 0.154 81 D C 0.594 176.713 176.300 -0.303 0.000 0.764 81 D CA 2.271 55.951 54.000 -0.533 0.000 1.058 81 D CB -0.941 39.337 40.800 -0.870 0.000 0.472 81 D HN 0.819 nan 8.370 nan 0.000 0.449 82 D N -1.176 119.097 120.400 -0.211 0.000 2.623 82 D HA 0.386 5.026 4.640 0.000 0.000 0.252 82 D C -0.250 176.116 176.300 0.109 0.000 1.294 82 D CA -0.585 53.397 54.000 -0.030 0.000 0.824 82 D CB -0.382 40.423 40.800 0.010 0.000 1.070 82 D HN 0.524 nan 8.370 nan 0.000 0.487 83 F N 1.854 121.682 119.950 -0.203 0.000 2.589 83 F HA 0.197 4.724 4.527 0.000 0.000 0.352 83 F C 1.276 176.967 175.800 -0.182 0.000 1.168 83 F CA -0.732 57.154 58.000 -0.190 0.000 1.353 83 F CB 0.216 39.070 39.000 -0.242 0.000 1.116 83 F HN -0.050 nan 8.300 nan 0.000 0.608 84 E N 2.826 123.003 120.200 -0.038 0.000 2.152 84 E HA 0.261 4.611 4.350 0.000 0.000 0.285 84 E C -0.699 175.605 176.600 -0.494 0.000 1.043 84 E CA -0.360 55.860 56.400 -0.300 0.000 0.839 84 E CB 0.854 30.364 29.700 -0.317 0.000 1.069 84 E HN 0.174 nan 8.360 nan 0.000 0.399 85 I N 4.532 124.832 120.570 -0.450 0.000 2.307 85 I HA 0.262 4.432 4.170 0.000 0.000 0.289 85 I C -0.593 175.318 176.117 -0.344 0.000 1.021 85 I CA -0.653 60.497 61.300 -0.250 0.000 1.224 85 I CB -0.614 37.413 38.000 0.046 0.000 1.376 85 I HN 0.425 nan 8.210 nan 0.000 0.470 86 Y N 3.929 124.296 120.300 0.112 0.000 2.602 86 Y HA 0.622 5.172 4.550 0.000 0.000 0.342 86 Y C 0.328 176.266 175.900 0.062 0.000 1.029 86 Y CA -1.212 56.941 58.100 0.087 0.000 1.080 86 Y CB 1.613 40.116 38.460 0.071 0.000 1.284 86 Y HN 0.450 nan 8.280 nan 0.000 0.485 87 E N 0.501 120.839 120.200 0.230 0.000 2.343 87 E HA 0.883 5.233 4.350 0.000 0.000 0.270 87 E C -1.228 175.276 176.600 -0.160 0.000 0.895 87 E CA -1.200 55.209 56.400 0.014 0.000 0.767 87 E CB 2.894 32.643 29.700 0.081 0.000 1.248 87 E HN 0.716 nan 8.360 nan 0.000 0.440 88 A N 0.579 123.056 122.820 -0.572 0.000 2.515 88 A HA 0.745 5.065 4.320 0.000 0.000 0.299 88 A C -0.613 176.540 177.584 -0.719 0.000 1.179 88 A CA -0.300 51.427 52.037 -0.518 0.000 0.656 88 A CB 1.013 19.935 19.000 -0.130 0.000 1.306 88 A HN 0.563 nan 8.150 nan 0.000 0.459 89 G N 0.065 108.749 108.800 -0.193 0.000 2.365 89 G HA2 0.502 4.462 3.960 0.000 0.000 0.249 89 G HA3 0.502 4.462 3.960 0.000 0.000 0.249 89 G C -0.267 174.653 174.900 0.033 0.000 1.288 89 G CA 0.385 45.495 45.100 0.016 0.000 0.887 89 G HN 0.990 nan 8.290 nan 0.000 0.524 90 H N 3.134 122.172 119.070 -0.052 0.000 3.086 90 H HA 0.249 4.805 4.556 0.000 0.000 0.353 90 H C -2.136 173.186 175.328 -0.009 0.000 1.134 90 H CA -1.211 54.807 56.048 -0.051 0.000 1.248 90 H CB 2.921 32.617 29.762 -0.110 0.000 1.878 90 H HN 0.390 nan 8.280 nan 0.000 0.527 91 P HA 0.078 nan 4.420 nan 0.000 0.245 91 P C -0.322 176.781 177.300 -0.329 0.000 1.212 91 P CA 0.093 62.663 63.100 -0.884 0.000 0.774 91 P CB 0.627 31.977 31.700 -0.583 0.000 0.999 92 V N 2.674 122.498 119.914 -0.149 0.000 2.604 92 V HA 0.369 4.489 4.120 0.000 0.000 0.305 92 V C -2.439 173.649 176.094 -0.010 0.000 1.043 92 V CA -2.375 59.888 62.300 -0.062 0.000 0.888 92 V CB 2.281 34.082 31.823 -0.037 0.000 0.995 92 V HN -0.069 nan 8.190 nan 0.000 0.429 93 P HA 0.333 nan 4.420 nan 0.000 0.275 93 P C -1.375 175.940 177.300 0.026 0.000 1.227 93 P CA 0.012 63.122 63.100 0.017 0.000 0.781 93 P CB 1.205 32.910 31.700 0.007 0.000 0.906 94 D N -0.055 120.371 120.400 0.044 0.000 2.784 94 D HA 0.336 4.976 4.640 0.000 0.000 0.256 94 D C 1.364 177.687 176.300 0.038 0.000 1.129 94 D CA -0.421 53.611 54.000 0.054 0.000 1.102 94 D CB -0.636 40.226 40.800 0.103 0.000 1.330 94 D HN 0.232 nan 8.370 nan 0.000 0.626 95 E N -0.401 119.823 120.200 0.040 0.000 2.150 95 E HA -0.163 4.187 4.350 0.000 0.000 0.193 95 E C 1.510 178.122 176.600 0.020 0.000 0.985 95 E CA 1.319 57.732 56.400 0.021 0.000 0.814 95 E CB -1.040 nan 29.700 nan 0.000 0.752 95 E HN 0.428 nan 8.360 nan 0.000 0.466 96 N N 0.135 118.869 118.700 0.057 0.000 2.244 96 N HA -0.095 4.645 4.740 0.000 0.000 0.183 96 N C 2.074 177.590 175.510 0.010 0.000 1.016 96 N CA 1.758 54.838 53.050 0.049 0.000 0.866 96 N CB -0.460 38.118 38.487 0.152 0.000 0.980 96 N HN 0.498 nan 8.380 nan 0.000 0.430 97 T N 2.097 116.661 114.554 0.016 0.000 2.652 97 T HA -0.059 4.291 4.350 0.000 0.000 0.267 97 T C 2.130 176.815 174.700 -0.024 0.000 1.039 97 T CA 0.863 62.964 62.100 0.002 0.000 1.153 97 T CB -0.279 68.592 68.868 0.006 0.000 0.863 97 T HN 0.173 nan 8.240 nan 0.000 0.428 98 I N 0.741 121.292 120.570 -0.032 0.000 2.118 98 I HA -0.258 3.912 4.170 0.000 0.000 0.241 98 I C 2.625 178.706 176.117 -0.059 0.000 1.070 98 I CA 1.573 62.842 61.300 -0.051 0.000 1.327 98 I CB -0.328 37.650 38.000 -0.037 0.000 1.034 98 I HN 0.233 nan 8.210 nan 0.000 0.405 99 K N 0.216 120.580 120.400 -0.060 0.000 2.009 99 K HA -0.197 4.123 4.320 0.000 0.000 0.210 99 K C 2.170 178.694 176.600 -0.128 0.000 1.049 99 K CA 2.285 58.518 56.287 -0.090 0.000 0.929 99 K CB -0.457 31.982 32.500 -0.103 0.000 0.714 99 K HN 0.526 nan 8.250 nan 0.000 0.440 100 T N -1.422 113.054 114.554 -0.130 0.000 2.777 100 T HA -0.105 4.246 4.350 0.000 0.000 0.266 100 T C 2.095 176.805 174.700 0.018 0.000 1.040 100 T CA 1.728 63.757 62.100 -0.119 0.000 1.141 100 T CB -0.655 68.198 68.868 -0.026 0.000 0.868 100 T HN 0.034 nan 8.240 nan 0.000 0.444 101 T N 1.486 116.042 114.554 0.004 0.000 2.708 101 T HA -0.032 4.318 4.350 0.000 0.000 0.266 101 T C 2.026 176.696 174.700 -0.049 0.000 1.037 101 T CA 1.398 63.469 62.100 -0.048 0.000 1.146 101 T CB -0.346 68.368 68.868 -0.257 0.000 0.865 101 T HN 0.445 nan 8.240 nan 0.000 0.435 102 R N 0.731 121.196 120.500 -0.058 0.000 2.117 102 R HA -0.140 4.201 4.340 0.000 0.000 0.243 102 R C 2.514 178.816 176.300 0.003 0.000 1.143 102 R CA 1.508 57.586 56.100 -0.036 0.000 0.968 102 R CB -0.103 30.171 30.300 -0.044 0.000 0.863 102 R HN 0.066 nan 8.270 nan 0.000 0.444 103 R N 0.251 120.755 120.500 0.007 0.000 2.092 103 R HA -0.037 4.303 4.340 0.000 0.000 0.231 103 R C 1.953 178.319 176.300 0.110 0.000 1.119 103 R CA 1.481 57.609 56.100 0.046 0.000 0.970 103 R CB -0.687 29.623 30.300 0.016 0.000 0.864 103 R HN 0.157 nan 8.270 nan 0.000 0.440 104 V N 0.786 120.793 119.914 0.154 0.000 2.407 104 V HA -0.218 3.902 4.120 0.000 0.000 0.248 104 V C 2.198 178.417 176.094 0.210 0.000 1.055 104 V CA 1.809 64.241 62.300 0.220 0.000 1.049 104 V CB -0.410 31.632 31.823 0.366 0.000 0.662 104 V HN 0.283 nan 8.190 nan 0.000 0.455 105 L N -0.625 120.692 121.223 0.157 0.000 2.217 105 L HA -0.103 4.237 4.340 0.000 0.000 0.211 105 L C 2.436 179.352 176.870 0.076 0.000 1.107 105 L CA 1.191 56.107 54.840 0.126 0.000 0.783 105 L CB -0.516 41.584 42.059 0.070 0.000 0.919 105 L HN 0.357 nan 8.230 nan 0.000 0.442 106 E N 0.270 120.508 120.200 0.063 0.000 2.150 106 E HA -0.154 4.196 4.350 0.000 0.000 0.193 106 E C 2.247 178.874 176.600 0.046 0.000 0.985 106 E CA 0.871 57.298 56.400 0.044 0.000 0.814 106 E CB -0.002 29.721 29.700 0.039 0.000 0.752 106 E HN 0.477 nan 8.360 nan 0.000 0.466 107 L N 0.419 121.681 121.223 0.065 0.000 2.291 107 L HA -0.063 4.277 4.340 0.000 0.000 0.214 107 L C 2.260 179.150 176.870 0.034 0.000 1.120 107 L CA 0.557 55.428 54.840 0.052 0.000 0.799 107 L CB -0.109 41.989 42.059 0.065 0.000 0.925 107 L HN 0.158 nan 8.230 nan 0.000 0.446 108 V N -5.880 114.060 119.914 0.043 0.000 3.661 108 V HA 0.221 4.341 4.120 0.000 0.000 0.271 108 V C 0.555 176.630 176.094 -0.030 0.000 1.315 108 V CA -0.304 61.993 62.300 -0.005 0.000 1.072 108 V CB -0.076 31.733 31.823 -0.023 0.000 0.830 108 V HN 0.049 nan 8.190 nan 0.000 0.443 109 D N 1.037 121.434 120.400 -0.005 0.000 2.344 109 D HA 0.318 4.959 4.640 0.000 0.000 0.244 109 D C 0.239 176.529 176.300 -0.017 0.000 1.134 109 D CA 0.371 54.364 54.000 -0.011 0.000 0.930 109 D CB 0.737 41.538 40.800 0.003 0.000 1.175 109 D HN 0.411 nan 8.370 nan 0.000 0.437 110 Q N -0.714 119.074 119.800 -0.020 0.000 2.452 110 Q HA -0.195 4.145 4.340 0.000 0.000 0.318 110 Q C -0.933 175.044 176.000 -0.038 0.000 1.386 110 Q CA 0.482 56.270 55.803 -0.025 0.000 0.872 110 Q CB -1.369 27.361 28.738 -0.014 0.000 1.151 110 Q HN 0.359 nan 8.270 nan 0.000 0.417 111 L N 0.568 121.756 121.223 -0.058 0.000 2.334 111 L HA 0.566 4.907 4.340 0.000 0.000 0.272 111 L C 0.710 177.520 176.870 -0.100 0.000 1.020 111 L CA -1.185 53.611 54.840 -0.073 0.000 0.812 111 L CB 1.321 43.329 42.059 -0.084 0.000 1.264 111 L HN 0.319 nan 8.230 nan 0.000 0.439 112 N N -0.519 118.122 118.700 -0.098 0.000 2.478 112 N HA 0.117 4.857 4.740 0.000 0.000 0.275 112 N C 0.493 175.911 175.510 -0.153 0.000 1.221 112 N CA -0.822 52.157 53.050 -0.119 0.000 0.979 112 N CB 0.403 38.840 38.487 -0.083 0.000 1.202 112 N HN 0.608 nan 8.380 nan 0.000 0.564 113 E N 0.130 120.228 120.200 -0.171 0.000 2.409 113 E HA -0.219 4.131 4.350 0.000 0.000 0.198 113 E C -0.144 176.387 176.600 -0.115 0.000 1.024 113 E CA 1.154 57.444 56.400 -0.184 0.000 0.861 113 E CB -0.767 28.820 29.700 -0.189 0.000 0.788 113 E HN 0.724 nan 8.360 nan 0.000 0.521 114 N N 0.751 119.400 118.700 -0.086 0.000 2.467 114 N HA -0.010 4.730 4.740 0.000 0.000 0.184 114 N C -0.239 175.240 175.510 -0.052 0.000 1.106 114 N CA 0.141 53.156 53.050 -0.058 0.000 0.892 114 N CB 0.247 38.707 38.487 -0.045 0.000 0.969 114 N HN 0.119 nan 8.380 nan 0.000 0.454 115 D N 0.286 120.647 120.400 -0.066 0.000 2.294 115 D HA 0.181 4.821 4.640 0.000 0.000 0.250 115 D C 0.356 176.624 176.300 -0.053 0.000 1.058 115 D CA 0.173 54.141 54.000 -0.054 0.000 0.950 115 D CB 1.554 42.317 40.800 -0.062 0.000 1.158 115 D HN 0.039 nan 8.370 nan 0.000 0.453 116 T N -2.582 111.951 114.554 -0.035 0.000 2.921 116 T HA 0.478 4.828 4.350 0.000 0.000 0.297 116 T C -0.601 174.089 174.700 -0.016 0.000 1.013 116 T CA -0.847 61.239 62.100 -0.023 0.000 0.990 116 T CB 0.992 69.861 68.868 0.002 0.000 1.023 116 T HN 0.009 nan 8.240 nan 0.000 0.447 117 V N 4.366 124.268 119.914 -0.020 0.000 2.406 117 V HA 0.385 4.505 4.120 0.000 0.000 0.272 117 V C 0.074 176.210 176.094 0.071 0.000 1.043 117 V CA -0.825 61.476 62.300 0.002 0.000 0.915 117 V CB 0.886 32.676 31.823 -0.054 0.000 0.988 117 V HN 0.883 nan 8.190 nan 0.000 0.466 118 L N 6.983 128.256 121.223 0.083 0.000 2.282 118 L HA 0.438 4.778 4.340 0.000 0.000 0.287 118 L C -0.645 176.351 176.870 0.209 0.000 1.075 118 L CA 0.010 54.922 54.840 0.121 0.000 0.839 118 L CB 0.096 42.195 42.059 0.067 0.000 1.219 118 L HN 0.507 nan 8.230 nan 0.000 0.434 119 F N 6.498 126.486 119.950 0.064 0.000 2.368 119 F HA 0.390 4.917 4.527 0.000 0.000 0.362 119 F C -0.587 175.219 175.800 0.010 0.000 1.137 119 F CA -1.255 56.779 58.000 0.057 0.000 1.161 119 F CB 0.322 39.410 39.000 0.147 0.000 1.265 119 F HN 0.308 nan 8.300 nan 0.000 0.530 120 L N 7.531 128.749 121.223 -0.008 0.000 2.270 120 L HA 0.316 4.656 4.340 0.000 0.000 0.286 120 L C -0.747 175.924 176.870 -0.331 0.000 1.059 120 L CA -0.635 54.119 54.840 -0.143 0.000 0.839 120 L CB 0.876 42.903 42.059 -0.054 0.000 1.221 120 L HN 0.403 nan 8.230 nan 0.000 0.431 121 L N 3.908 124.870 121.223 -0.435 0.000 2.322 121 L HA 0.726 5.066 4.340 0.000 0.000 0.281 121 L C 0.061 176.770 176.870 -0.268 0.000 1.014 121 L CA 0.265 54.798 54.840 -0.511 0.000 0.815 121 L CB 1.835 43.440 42.059 -0.758 0.000 1.247 121 L HN 0.665 nan 8.230 nan 0.000 0.421 122 S N 2.218 117.792 115.700 -0.211 0.000 2.794 122 S HA 0.864 5.334 4.470 0.000 0.000 0.299 122 S C 0.046 174.571 174.600 -0.125 0.000 1.179 122 S CA -0.411 57.708 58.200 -0.134 0.000 0.838 122 S CB 0.580 63.724 63.200 -0.094 0.000 1.206 122 S HN 0.937 nan 8.310 nan 0.000 0.523 123 G N -1.030 107.713 108.800 -0.096 0.000 2.559 123 G HA2 0.435 4.395 3.960 0.000 0.000 0.235 123 G HA3 0.435 4.395 3.960 0.000 0.000 0.235 123 G C 1.114 175.935 174.900 -0.131 0.000 1.266 123 G CA 0.153 45.203 45.100 -0.084 0.000 0.847 123 G HN 2.189 nan 8.290 nan 0.000 0.583 124 G N -0.118 108.641 108.800 -0.069 0.000 2.176 124 G HA2 -0.089 3.871 3.960 0.000 0.000 0.232 124 G HA3 -0.089 3.871 3.960 0.000 0.000 0.232 124 G C 1.444 176.363 174.900 0.031 0.000 0.986 124 G CA 0.883 45.946 45.100 -0.062 0.000 0.643 124 G HN 1.694 nan 8.290 nan 0.000 0.522 125 G N 0.742 109.543 108.800 0.002 0.000 2.450 125 G HA2 0.014 3.974 3.960 0.000 0.000 0.220 125 G HA3 0.014 3.974 3.960 0.000 0.000 0.220 125 G C 1.891 176.862 174.900 0.118 0.000 1.130 125 G CA 2.153 47.277 45.100 0.040 0.000 0.760 125 G HN 0.919 nan 8.290 nan 0.000 0.557 126 S N 0.384 116.143 115.700 0.098 0.000 2.382 126 S HA -0.106 4.364 4.470 0.000 0.000 0.228 126 S C 2.467 177.119 174.600 0.087 0.000 1.027 126 S CA 1.366 59.622 58.200 0.093 0.000 0.991 126 S CB -0.216 63.022 63.200 0.064 0.000 0.823 126 S HN 0.369 nan 8.310 nan 0.000 0.469 127 S N 0.535 116.299 115.700 0.107 0.000 2.425 127 S HA 0.242 4.712 4.470 0.000 0.000 0.225 127 S C 1.584 176.238 174.600 0.090 0.000 1.024 127 S CA 0.274 58.528 58.200 0.089 0.000 0.951 127 S CB -0.185 63.080 63.200 0.108 0.000 0.796 127 S HN 0.387 nan 8.310 nan 0.000 0.498 128 L N -0.367 120.921 121.223 0.108 0.000 2.446 128 L HA 0.302 4.642 4.340 0.000 0.000 0.219 128 L C -0.152 176.829 176.870 0.185 0.000 1.116 128 L CA 0.301 55.192 54.840 0.084 0.000 0.844 128 L CB 0.126 42.196 42.059 0.018 0.000 0.970 128 L HN 0.260 nan 8.230 nan 0.000 0.457 129 F N 0.939 120.876 119.950 -0.021 0.000 2.500 129 F HA 0.553 5.080 4.527 0.000 0.000 0.349 129 F C -0.438 175.345 175.800 -0.028 0.000 1.127 129 F CA -0.795 57.183 58.000 -0.038 0.000 0.998 129 F CB 0.939 39.909 39.000 -0.049 0.000 1.237 129 F HN -0.192 nan 8.300 nan 0.000 0.439 130 E N 4.515 124.573 120.200 -0.237 0.000 2.400 130 E HA 0.615 4.965 4.350 0.000 0.000 0.285 130 E C -2.498 173.977 176.600 -0.208 0.000 1.005 130 E CA -0.601 55.672 56.400 -0.211 0.000 0.816 130 E CB 1.633 31.288 29.700 -0.074 0.000 1.220 130 E HN 0.545 nan 8.360 nan 0.000 0.426 131 L N 4.482 125.594 121.223 -0.184 0.000 2.737 131 L HA 0.579 4.919 4.340 0.000 0.000 0.261 131 L C -2.852 173.961 176.870 -0.094 0.000 0.949 131 L CA -1.156 53.605 54.840 -0.133 0.000 0.952 131 L CB 2.005 43.969 42.059 -0.158 0.000 1.337 131 L HN 0.409 nan 8.230 nan 0.000 0.430 132 P HA 0.209 nan 4.420 nan 0.000 0.271 132 P C -0.505 176.773 177.300 -0.038 0.000 1.233 132 P CA -0.137 62.938 63.100 -0.042 0.000 0.789 132 P CB 0.537 32.221 31.700 -0.027 0.000 0.951 133 L N 0.870 122.078 121.223 -0.026 0.000 2.485 133 L HA 0.030 4.370 4.340 0.000 0.000 0.275 133 L C 1.210 178.071 176.870 -0.016 0.000 1.207 133 L CA 0.180 55.008 54.840 -0.020 0.000 0.855 133 L CB -0.297 41.756 42.059 -0.009 0.000 1.114 133 L HN 0.375 nan 8.230 nan 0.000 0.485 134 E N 1.927 122.118 120.200 -0.015 0.000 2.652 134 E HA -0.015 4.335 4.350 0.000 0.000 0.255 134 E C 0.962 177.558 176.600 -0.008 0.000 0.952 134 E CA 1.007 57.400 56.400 -0.012 0.000 0.947 134 E CB 0.243 29.937 29.700 -0.011 0.000 0.912 134 E HN 0.872 nan 8.360 nan 0.000 0.489 135 G N 1.977 110.773 108.800 -0.007 0.000 2.175 135 G HA2 -0.254 3.707 3.960 0.000 0.000 0.244 135 G HA3 -0.254 3.707 3.960 0.000 0.000 0.244 135 G C 0.058 174.957 174.900 -0.003 0.000 0.982 135 G CA 0.064 45.161 45.100 -0.004 0.000 0.641 135 G HN 0.433 nan 8.290 nan 0.000 0.527 136 V N 1.664 121.576 119.914 -0.005 0.000 2.513 136 V HA 0.748 4.868 4.120 0.000 0.000 0.299 136 V C 0.701 176.791 176.094 -0.007 0.000 1.035 136 V CA -0.096 62.202 62.300 -0.003 0.000 0.889 136 V CB 1.801 33.623 31.823 -0.001 0.000 0.988 136 V HN 0.967 nan 8.190 nan 0.000 0.440 137 S N 4.044 119.741 115.700 -0.005 0.000 2.578 137 S HA 0.429 4.899 4.470 0.000 0.000 0.283 137 S C 0.778 175.373 174.600 -0.008 0.000 1.195 137 S CA -0.551 57.645 58.200 -0.007 0.000 1.050 137 S CB 1.510 64.707 63.200 -0.005 0.000 1.012 137 S HN 0.575 nan 8.310 nan 0.000 0.511 138 L N 1.745 122.962 121.223 -0.010 0.000 2.051 138 L HA -0.116 4.224 4.340 0.000 0.000 0.214 138 L C 2.273 179.139 176.870 -0.006 0.000 1.076 138 L CA 2.090 56.924 54.840 -0.010 0.000 0.758 138 L CB -0.853 41.201 42.059 -0.009 0.000 0.890 138 L HN 0.832 nan 8.230 nan 0.000 0.433 139 E N -0.215 119.982 120.200 -0.005 0.000 2.085 139 E HA -0.224 4.126 4.350 0.000 0.000 0.194 139 E C 2.135 178.733 176.600 -0.004 0.000 0.994 139 E CA 1.519 57.917 56.400 -0.004 0.000 0.801 139 E CB -0.229 29.469 29.700 -0.003 0.000 0.743 139 E HN 0.587 nan 8.360 nan 0.000 0.453 140 E N 0.071 120.270 120.200 -0.002 0.000 2.077 140 E HA -0.160 4.190 4.350 0.000 0.000 0.193 140 E C 2.119 178.719 176.600 0.000 0.000 0.989 140 E CA 0.843 57.243 56.400 -0.000 0.000 0.800 140 E CB -0.163 29.538 29.700 0.002 0.000 0.746 140 E HN 0.243 nan 8.360 nan 0.000 0.452 141 I N 1.165 121.734 120.570 -0.001 0.000 2.076 141 I HA -0.376 3.794 4.170 0.000 0.000 0.237 141 I C 2.575 178.690 176.117 -0.004 0.000 1.059 141 I CA 1.515 62.815 61.300 -0.001 0.000 1.317 141 I CB -0.343 37.655 38.000 -0.004 0.000 1.037 141 I HN 0.134 nan 8.210 nan 0.000 0.398 142 Q N 0.529 120.325 119.800 -0.007 0.000 2.118 142 Q HA -0.305 4.036 4.340 0.000 0.000 0.211 142 Q C 2.217 178.210 176.000 -0.012 0.000 0.998 142 Q CA 2.038 57.835 55.803 -0.011 0.000 0.872 142 Q CB -0.211 28.521 28.738 -0.009 0.000 0.925 142 Q HN 0.461 nan 8.270 nan 0.000 0.414 143 K N 0.156 120.551 120.400 -0.009 0.000 2.103 143 K HA -0.053 4.267 4.320 0.000 0.000 0.204 143 K C 2.118 178.712 176.600 -0.009 0.000 1.052 143 K CA 0.733 57.015 56.287 -0.009 0.000 0.945 143 K CB -0.031 32.465 32.500 -0.005 0.000 0.722 143 K HN 0.191 nan 8.250 nan 0.000 0.443 144 L N 0.792 122.012 121.223 -0.005 0.000 2.046 144 L HA -0.184 4.156 4.340 0.000 0.000 0.208 144 L C 2.330 179.193 176.870 -0.012 0.000 1.077 144 L CA 1.408 56.247 54.840 -0.002 0.000 0.747 144 L CB -0.800 41.264 42.059 0.007 0.000 0.896 144 L HN 0.271 nan 8.230 nan 0.000 0.432 145 T N -0.750 113.796 114.554 -0.015 0.000 2.652 145 T HA -0.207 4.143 4.350 0.000 0.000 0.267 145 T C 2.072 176.747 174.700 -0.041 0.000 1.039 145 T CA 1.778 63.863 62.100 -0.025 0.000 1.153 145 T CB -0.412 68.444 68.868 -0.020 0.000 0.863 145 T HN 0.530 nan 8.240 nan 0.000 0.428 146 S N 2.171 117.850 115.700 -0.035 0.000 2.383 146 S HA 0.041 4.512 4.470 0.000 0.000 0.227 146 S C 2.427 176.999 174.600 -0.048 0.000 1.026 146 S CA 0.915 59.091 58.200 -0.040 0.000 0.981 146 S CB -0.664 62.517 63.200 -0.030 0.000 0.818 146 S HN 0.521 nan 8.310 nan 0.000 0.472 147 A N 1.658 124.454 122.820 -0.040 0.000 1.972 147 A HA 0.191 4.511 4.320 0.000 0.000 0.219 147 A C 2.297 179.830 177.584 -0.085 0.000 1.169 147 A CA 1.221 53.233 52.037 -0.043 0.000 0.635 147 A CB -0.721 18.267 19.000 -0.019 0.000 0.810 147 A HN 0.554 nan 8.150 nan 0.000 0.446 148 L N -0.860 120.300 121.223 -0.105 0.000 2.023 148 L HA -0.126 4.214 4.340 0.000 0.000 0.205 148 L C 2.565 179.287 176.870 -0.247 0.000 1.073 148 L CA 0.942 55.657 54.840 -0.209 0.000 0.745 148 L CB -0.538 41.433 42.059 -0.147 0.000 0.900 148 L HN 0.365 nan 8.230 nan 0.000 0.435 149 L N -0.020 121.115 121.223 -0.148 0.000 1.990 149 L HA -0.312 4.028 4.340 0.000 0.000 0.213 149 L C 2.770 179.569 176.870 -0.118 0.000 1.072 149 L CA 1.620 56.388 54.840 -0.121 0.000 0.755 149 L CB -0.671 41.343 42.059 -0.076 0.000 0.889 149 L HN 0.283 nan 8.230 nan 0.000 0.432 150 K N -0.160 120.183 120.400 -0.095 0.000 2.074 150 K HA -0.200 4.120 4.320 0.000 0.000 0.209 150 K C 2.027 178.575 176.600 -0.087 0.000 1.048 150 K CA 1.972 58.216 56.287 -0.072 0.000 0.926 150 K CB -0.086 32.383 32.500 -0.051 0.000 0.713 150 K HN 0.169 nan 8.250 nan 0.000 0.444 151 S N -0.708 114.907 115.700 -0.142 0.000 2.607 151 S HA 0.072 4.542 4.470 0.000 0.000 0.224 151 S C 0.708 175.186 174.600 -0.203 0.000 0.969 151 S CA 0.766 58.878 58.200 -0.148 0.000 0.927 151 S CB 0.222 63.318 63.200 -0.174 0.000 0.772 151 S HN 0.665 nan 8.310 nan 0.000 0.533 152 G N 1.236 109.902 108.800 -0.224 0.000 2.204 152 G HA2 -0.117 3.843 3.960 0.000 0.000 0.244 152 G HA3 -0.117 3.843 3.960 0.000 0.000 0.244 152 G C 0.047 174.815 174.900 -0.221 0.000 1.062 152 G CA -0.079 44.933 45.100 -0.147 0.000 0.798 152 G HN 0.767 nan 8.290 nan 0.000 0.496 153 A N 0.001 122.546 122.820 -0.459 0.000 2.332 153 A HA 0.827 5.148 4.320 0.000 0.000 0.258 153 A C 1.121 178.648 177.584 -0.095 0.000 1.087 153 A CA 0.765 52.561 52.037 -0.402 0.000 0.802 153 A CB 0.481 19.136 19.000 -0.575 0.000 1.042 153 A HN 2.042 nan 8.150 nan 0.000 0.489 154 S N 0.801 116.518 115.700 0.027 0.000 2.617 154 S HA 0.298 4.768 4.470 0.000 0.000 0.269 154 S C 1.005 175.614 174.600 0.015 0.000 1.292 154 S CA -0.117 58.101 58.200 0.030 0.000 1.010 154 S CB 0.535 63.771 63.200 0.060 0.000 0.944 154 S HN 0.656 nan 8.310 nan 0.000 0.536 155 I N 1.201 121.777 120.570 0.011 0.000 2.264 155 I HA -0.138 4.032 4.170 0.000 0.000 0.248 155 I C 2.274 178.406 176.117 0.025 0.000 1.111 155 I CA 1.686 62.991 61.300 0.009 0.000 1.382 155 I CB -0.414 37.588 38.000 0.004 0.000 1.060 155 I HN 0.812 nan 8.210 nan 0.000 0.418 156 E N 0.238 120.459 120.200 0.035 0.000 2.072 156 E HA -0.218 4.132 4.350 0.000 0.000 0.191 156 E C 2.131 178.769 176.600 0.064 0.000 0.985 156 E CA 1.356 57.785 56.400 0.048 0.000 0.801 156 E CB -0.144 29.585 29.700 0.048 0.000 0.750 156 E HN 0.532 nan 8.360 nan 0.000 0.452 157 E N 0.046 120.289 120.200 0.073 0.000 2.072 157 E HA -0.132 4.218 4.350 0.000 0.000 0.191 157 E C 2.076 178.724 176.600 0.080 0.000 0.985 157 E CA 0.771 57.230 56.400 0.098 0.000 0.801 157 E CB -0.088 29.712 29.700 0.167 0.000 0.750 157 E HN 0.273 nan 8.360 nan 0.000 0.452 158 I N 1.470 122.068 120.570 0.047 0.000 2.226 158 I HA -0.272 3.898 4.170 0.000 0.000 0.245 158 I C 2.353 178.500 176.117 0.049 0.000 1.100 158 I CA 0.826 62.144 61.300 0.029 0.000 1.374 158 I CB -0.289 37.710 38.000 -0.002 0.000 1.057 158 I HN 0.120 nan 8.210 nan 0.000 0.413 159 N N 0.708 119.441 118.700 0.054 0.000 2.120 159 N HA -0.158 4.583 4.740 0.000 0.000 0.188 159 N C 1.758 177.329 175.510 0.102 0.000 1.024 159 N CA 1.951 55.042 53.050 0.067 0.000 0.852 159 N CB -0.273 38.249 38.487 0.059 0.000 1.003 159 N HN 0.205 nan 8.380 nan 0.000 0.424 160 T N -0.132 114.490 114.554 0.113 0.000 2.635 160 T HA -0.114 4.237 4.350 0.000 0.000 0.267 160 T C 1.972 176.799 174.700 0.211 0.000 1.040 160 T CA 1.636 63.834 62.100 0.163 0.000 1.156 160 T CB -0.511 68.419 68.868 0.103 0.000 0.863 160 T HN 0.023 nan 8.240 nan 0.000 0.430 161 V N 1.285 121.275 119.914 0.127 0.000 2.358 161 V HA -0.101 4.019 4.120 0.000 0.000 0.246 161 V C 2.769 178.935 176.094 0.121 0.000 1.047 161 V CA 1.348 63.715 62.300 0.111 0.000 1.035 161 V CB -0.505 31.360 31.823 0.072 0.000 0.658 161 V HN 0.252 nan 8.190 nan 0.000 0.452 162 R N 0.585 121.139 120.500 0.090 0.000 2.096 162 R HA -0.118 4.222 4.340 0.000 0.000 0.235 162 R C 2.248 178.585 176.300 0.061 0.000 1.127 162 R CA 1.323 57.461 56.100 0.064 0.000 0.968 162 R CB -0.495 29.832 30.300 0.046 0.000 0.861 162 R HN 0.532 nan 8.270 nan 0.000 0.440 163 K N -0.789 119.656 120.400 0.076 0.000 2.148 163 K HA -0.118 4.202 4.320 0.000 0.000 0.204 163 K C 1.469 178.010 176.600 -0.098 0.000 1.050 163 K CA 1.203 57.486 56.287 -0.006 0.000 0.942 163 K CB -0.138 32.349 32.500 -0.021 0.000 0.724 163 K HN 0.337 nan 8.250 nan 0.000 0.446 164 H N -0.354 118.730 119.070 0.023 0.000 2.533 164 H HA 0.150 4.707 4.556 0.000 0.000 0.271 164 H C 0.799 176.132 175.328 0.007 0.000 1.000 164 H CA 0.400 56.456 56.048 0.014 0.000 1.149 164 H CB 0.225 29.996 29.762 0.015 0.000 1.375 164 H HN 0.003 nan 8.280 nan 0.000 0.582 165 L N -0.662 120.606 121.223 0.075 0.000 2.808 165 L HA 0.227 4.567 4.340 0.000 0.000 0.246 165 L C 0.429 177.300 176.870 0.002 0.000 1.153 165 L CA -0.173 54.689 54.840 0.037 0.000 0.956 165 L CB 0.619 42.699 42.059 0.035 0.000 1.270 165 L HN 0.024 nan 8.230 nan 0.000 0.528 166 S N -0.938 114.752 115.700 -0.017 0.000 2.568 166 S HA 0.331 4.801 4.470 0.000 0.000 0.293 166 S C 0.287 174.856 174.600 -0.052 0.000 1.089 166 S CA -0.535 57.641 58.200 -0.040 0.000 0.945 166 S CB 2.028 65.204 63.200 -0.040 0.000 1.077 166 S HN 0.213 nan 8.310 nan 0.000 0.485 167 Q N 1.451 121.208 119.800 -0.071 0.000 2.392 167 Q HA 0.115 4.455 4.340 0.000 0.000 0.203 167 Q C 1.265 177.229 176.000 -0.060 0.000 0.917 167 Q CA 0.687 56.451 55.803 -0.065 0.000 0.939 167 Q CB 0.417 29.111 28.738 -0.073 0.000 1.063 167 Q HN 0.709 nan 8.270 nan 0.000 0.516 168 V N -4.023 115.839 119.914 -0.086 0.000 3.350 168 V HA 0.199 4.319 4.120 0.000 0.000 0.246 168 V C 0.699 176.843 176.094 0.084 0.000 1.363 168 V CA -0.273 62.007 62.300 -0.033 0.000 1.162 168 V CB 0.153 31.748 31.823 -0.380 0.000 0.947 168 V HN -0.074 nan 8.190 nan 0.000 0.454 169 K N 1.498 121.921 120.400 0.037 0.000 2.132 169 K HA 0.416 4.736 4.320 0.000 0.000 0.240 169 K C 1.148 177.786 176.600 0.063 0.000 1.036 169 K CA 0.463 56.800 56.287 0.084 0.000 0.888 169 K CB -0.160 32.370 32.500 0.051 0.000 1.071 169 K HN 0.786 nan 8.250 nan 0.000 0.502 170 G N -0.199 108.649 108.800 0.079 0.000 2.305 170 G HA2 -0.239 3.721 3.960 0.000 0.000 0.287 170 G HA3 -0.239 3.721 3.960 0.000 0.000 0.287 170 G C 0.799 175.724 174.900 0.042 0.000 1.036 170 G CA 1.222 46.347 45.100 0.041 0.000 0.887 170 G HN 1.087 nan 8.290 nan 0.000 0.505 171 G N -1.421 107.448 108.800 0.115 0.000 2.176 171 G HA2 -0.341 3.619 3.960 0.000 0.000 0.253 171 G HA3 -0.341 3.619 3.960 0.000 0.000 0.253 171 G C 1.215 176.154 174.900 0.065 0.000 0.979 171 G CA 1.211 46.366 45.100 0.091 0.000 0.641 171 G HN 0.903 nan 8.290 nan 0.000 0.530 172 R N -1.029 119.513 120.500 0.070 0.000 2.115 172 R HA 0.113 4.453 4.340 0.000 0.000 0.230 172 R C 2.237 178.598 176.300 0.101 0.000 1.111 172 R CA 1.375 57.501 56.100 0.042 0.000 0.976 172 R CB -0.356 29.951 30.300 0.012 0.000 0.870 172 R HN 0.442 nan 8.270 nan 0.000 0.445 173 F N 1.612 121.574 119.950 0.020 0.000 2.095 173 F HA -0.214 4.313 4.527 0.000 0.000 0.298 173 F C 2.211 178.010 175.800 -0.003 0.000 1.104 173 F CA 1.514 59.531 58.000 0.028 0.000 1.232 173 F CB -0.499 38.561 39.000 0.099 0.000 0.987 173 F HN -0.025 nan 8.300 nan 0.000 0.475 174 A N -0.459 122.302 122.820 -0.098 0.000 1.969 174 A HA -0.196 4.124 4.320 0.000 0.000 0.218 174 A C 2.232 179.753 177.584 -0.105 0.000 1.169 174 A CA 1.561 53.491 52.037 -0.179 0.000 0.635 174 A CB -0.951 18.038 19.000 -0.018 0.000 0.810 174 A HN 0.570 nan 8.150 nan 0.000 0.445 175 E N -0.591 119.570 120.200 -0.065 0.000 2.150 175 E HA -0.182 4.169 4.350 0.000 0.000 0.193 175 E C 2.084 178.671 176.600 -0.021 0.000 0.985 175 E CA 0.677 57.041 56.400 -0.060 0.000 0.814 175 E CB 0.019 29.669 29.700 -0.085 0.000 0.752 175 E HN 0.367 nan 8.360 nan 0.000 0.466 176 R N -0.055 120.410 120.500 -0.059 0.000 2.093 176 R HA -0.015 4.325 4.340 0.000 0.000 0.224 176 R C 2.341 178.587 176.300 -0.090 0.000 1.101 176 R CA 0.549 56.619 56.100 -0.051 0.000 0.979 176 R CB -0.544 29.735 30.300 -0.036 0.000 0.877 176 R HN 0.154 nan 8.270 nan 0.000 0.441 177 V N 1.257 121.037 119.914 -0.224 0.000 2.490 177 V HA -0.160 3.960 4.120 0.000 0.000 0.250 177 V C 1.207 177.241 176.094 -0.101 0.000 1.061 177 V CA 0.560 62.713 62.300 -0.245 0.000 1.064 177 V CB -0.574 30.990 31.823 -0.432 0.000 0.670 177 V HN 0.072 nan 8.190 nan 0.000 0.461 178 F N 3.190 123.047 119.950 -0.156 0.000 2.642 178 F HA 0.039 4.566 4.527 0.000 0.000 0.371 178 F C -0.581 175.172 175.800 -0.078 0.000 1.120 178 F CA -1.509 56.431 58.000 -0.099 0.000 1.331 178 F CB 0.545 39.496 39.000 -0.081 0.000 1.044 178 F HN 0.066 nan 8.300 nan 0.000 0.594 179 P HA 0.042 nan 4.420 nan 0.000 0.245 179 P C -0.236 176.655 177.300 -0.681 0.000 1.212 179 P CA 0.497 62.794 63.100 -1.338 0.000 0.774 179 P CB -0.262 30.911 31.700 -0.878 0.000 0.999 180 A N 0.833 123.442 122.820 -0.352 0.000 2.386 180 A HA 0.196 4.516 4.320 0.000 0.000 0.246 180 A C 0.448 177.936 177.584 -0.161 0.000 1.089 180 A CA -0.232 51.676 52.037 -0.215 0.000 0.790 180 A CB -0.018 18.892 19.000 -0.151 0.000 1.042 180 A HN 0.073 nan 8.150 nan 0.000 0.497 181 K N 0.354 120.693 120.400 -0.102 0.000 2.144 181 K HA 0.507 4.827 4.320 0.000 0.000 0.270 181 K C -1.234 175.346 176.600 -0.033 0.000 1.005 181 K CA -0.390 55.870 56.287 -0.045 0.000 0.932 181 K CB 0.896 33.384 32.500 -0.020 0.000 1.021 181 K HN 0.359 nan 8.250 nan 0.000 0.462 182 V N 4.551 124.464 119.914 -0.002 0.000 2.384 182 V HA 0.268 4.388 4.120 0.000 0.000 0.287 182 V C -0.742 175.413 176.094 0.102 0.000 1.020 182 V CA -0.895 61.424 62.300 0.033 0.000 0.850 182 V CB 1.510 33.347 31.823 0.022 0.000 0.987 182 V HN 0.523 nan 8.190 nan 0.000 0.436 183 V N 4.791 124.787 119.914 0.136 0.000 2.334 183 V HA 0.713 4.833 4.120 0.000 0.000 0.281 183 V C 0.431 176.665 176.094 0.233 0.000 1.016 183 V CA -0.441 61.966 62.300 0.178 0.000 0.832 183 V CB 1.441 33.357 31.823 0.155 0.000 0.999 183 V HN 0.948 nan 8.190 nan 0.000 0.439 184 A N 6.521 129.492 122.820 0.252 0.000 2.292 184 A HA 0.874 5.194 4.320 0.000 0.000 0.319 184 A C -0.701 176.986 177.584 0.172 0.000 1.206 184 A CA -0.510 51.668 52.037 0.235 0.000 0.835 184 A CB 0.719 19.878 19.000 0.264 0.000 1.164 184 A HN 0.800 nan 8.150 nan 0.000 0.505 185 L N 3.378 124.650 121.223 0.081 0.000 2.298 185 L HA 0.481 4.822 4.340 0.000 0.000 0.284 185 L C -0.905 175.936 176.870 -0.048 0.000 1.013 185 L CA -0.751 54.117 54.840 0.047 0.000 0.824 185 L CB 1.561 43.639 42.059 0.032 0.000 1.221 185 L HN 0.417 nan 8.230 nan 0.000 0.418 186 V N 4.570 124.466 119.914 -0.030 0.000 2.417 186 V HA 0.344 4.464 4.120 0.000 0.000 0.291 186 V C -0.327 175.736 176.094 -0.052 0.000 1.024 186 V CA -0.559 61.692 62.300 -0.081 0.000 0.861 186 V CB 2.347 34.127 31.823 -0.071 0.000 0.985 186 V HN 0.416 nan 8.190 nan 0.000 0.436 187 L N 4.879 126.061 121.223 -0.069 0.000 2.313 187 L HA 0.511 4.851 4.340 0.000 0.000 0.273 187 L C 0.309 177.152 176.870 -0.046 0.000 1.028 187 L CA 0.375 55.191 54.840 -0.040 0.000 0.871 187 L CB 1.174 43.214 42.059 -0.032 0.000 1.242 187 L HN 0.697 nan 8.230 nan 0.000 0.434 188 S N 2.429 118.107 115.700 -0.038 0.000 2.489 188 S HA 0.266 4.736 4.470 0.000 0.000 0.277 188 S C 0.672 175.255 174.600 -0.027 0.000 1.230 188 S CA -0.350 57.824 58.200 -0.043 0.000 1.053 188 S CB 0.427 63.599 63.200 -0.048 0.000 0.955 188 S HN 0.715 nan 8.310 nan 0.000 0.488 189 D N 3.760 124.143 120.400 -0.029 0.000 2.395 189 D HA 0.075 4.715 4.640 0.000 0.000 0.213 189 D C -0.107 176.183 176.300 -0.016 0.000 1.110 189 D CA -0.071 53.920 54.000 -0.015 0.000 0.835 189 D CB 0.058 40.852 40.800 -0.010 0.000 0.965 189 D HN 0.299 nan 8.370 nan 0.000 0.505 190 V N 1.714 121.611 119.914 -0.028 0.000 2.394 190 V HA 0.186 4.306 4.120 0.000 0.000 0.282 190 V C 0.114 176.189 176.094 -0.032 0.000 1.031 190 V CA -1.050 61.232 62.300 -0.031 0.000 0.881 190 V CB 1.586 33.382 31.823 -0.045 0.000 0.982 190 V HN 0.089 nan 8.190 nan 0.000 0.451 191 L N 5.210 126.419 121.223 -0.023 0.000 2.477 191 L HA 0.533 4.873 4.340 0.000 0.000 0.272 191 L C 1.204 178.057 176.870 -0.029 0.000 1.157 191 L CA 1.842 56.670 54.840 -0.020 0.000 0.889 191 L CB 0.151 42.203 42.059 -0.013 0.000 1.158 191 L HN 0.994 nan 8.230 nan 0.000 0.473 192 G N 2.689 111.471 108.800 -0.030 0.000 2.176 192 G HA2 -0.256 3.704 3.960 0.000 0.000 0.253 192 G HA3 -0.256 3.704 3.960 0.000 0.000 0.253 192 G C 0.254 175.119 174.900 -0.058 0.000 0.979 192 G CA 0.022 45.099 45.100 -0.037 0.000 0.641 192 G HN 0.839 nan 8.290 nan 0.000 0.530 193 D N -0.422 119.940 120.400 -0.064 0.000 2.735 193 D HA -0.167 4.473 4.640 0.000 0.000 0.235 193 D C 0.572 176.786 176.300 -0.143 0.000 1.175 193 D CA 1.296 55.243 54.000 -0.089 0.000 0.683 193 D CB -0.621 40.136 40.800 -0.073 0.000 1.008 193 D HN 0.681 nan 8.370 nan 0.000 0.416 194 R N 0.646 121.056 120.500 -0.151 0.000 2.210 194 R HA 0.247 4.587 4.340 0.000 0.000 0.338 194 R C 1.549 177.659 176.300 -0.316 0.000 1.062 194 R CA -0.413 55.557 56.100 -0.216 0.000 0.902 194 R CB 0.612 30.826 30.300 -0.144 0.000 1.050 194 R HN 0.230 nan 8.270 nan 0.000 0.461 195 L N 1.852 122.734 121.223 -0.568 0.000 2.478 195 L HA -0.121 4.219 4.340 0.000 0.000 0.223 195 L C 1.615 178.059 176.870 -0.710 0.000 1.140 195 L CA 0.827 55.246 54.840 -0.702 0.000 0.842 195 L CB -0.238 41.159 42.059 -1.103 0.000 0.953 195 L HN 0.558 nan 8.230 nan 0.000 0.452 196 D N -1.118 118.877 120.400 -0.675 0.000 2.349 196 D HA -0.058 4.582 4.640 0.000 0.000 0.215 196 D C 1.710 177.960 176.300 -0.084 0.000 1.016 196 D CA 0.515 54.358 54.000 -0.262 0.000 0.870 196 D CB 0.152 40.912 40.800 -0.067 0.000 0.917 196 D HN 0.186 nan 8.370 nan 0.000 0.524 197 V N 0.397 120.238 119.914 -0.121 0.000 3.048 197 V HA 0.167 4.287 4.120 0.000 0.000 0.241 197 V C 1.264 177.334 176.094 -0.040 0.000 1.129 197 V CA -0.192 62.075 62.300 -0.054 0.000 1.128 197 V CB 0.321 32.110 31.823 -0.056 0.000 0.849 197 V HN 0.067 nan 8.190 nan 0.000 0.475 198 I N 2.048 122.573 120.570 -0.075 0.000 2.769 198 I HA 0.101 4.271 4.170 0.000 0.000 0.285 198 I C 1.302 177.414 176.117 -0.008 0.000 1.173 198 I CA 0.913 62.180 61.300 -0.055 0.000 1.389 198 I CB 0.242 38.188 38.000 -0.091 0.000 1.404 198 I HN 0.395 nan 8.210 nan 0.000 0.544 199 A N 4.438 127.266 122.820 0.015 0.000 2.790 199 A HA -0.293 4.027 4.320 0.000 0.000 0.277 199 A C 1.046 178.690 177.584 0.099 0.000 1.435 199 A CA 0.876 52.951 52.037 0.064 0.000 0.877 199 A CB -1.927 17.118 19.000 0.074 0.000 1.007 199 A HN 1.077 nan 8.150 nan 0.000 0.613 200 S N -3.197 112.546 115.700 0.071 0.000 3.698 200 S HA 0.077 4.547 4.470 0.000 0.000 0.338 200 S C 2.069 176.745 174.600 0.126 0.000 1.089 200 S CA 1.358 59.608 58.200 0.083 0.000 0.991 200 S CB -2.131 61.117 63.200 0.080 0.000 0.909 200 S HN 2.748 nan 8.310 nan 0.000 0.485 201 G N 1.082 109.966 108.800 0.139 0.000 2.370 201 G HA2 -0.208 3.752 3.960 0.000 0.000 0.293 201 G HA3 -0.208 3.752 3.960 0.000 0.000 0.293 201 G C -0.812 174.268 174.900 0.299 0.000 0.992 201 G CA 0.024 45.267 45.100 0.238 0.000 1.247 201 G HN 0.540 nan 8.290 nan 0.000 0.505 202 P HA 0.057 nan 4.420 nan 0.000 0.219 202 P C 1.077 178.634 177.300 0.427 0.000 1.150 202 P CA 1.919 65.250 63.100 0.385 0.000 0.814 202 P CB 0.366 32.341 31.700 0.458 0.000 0.787 203 A N -1.288 121.812 122.820 0.466 0.000 3.113 203 A HA 0.336 4.656 4.320 0.000 0.000 0.307 203 A C -0.786 177.033 177.584 0.392 0.000 1.025 203 A CA -0.551 51.713 52.037 0.379 0.000 1.012 203 A CB -0.597 18.659 19.000 0.426 0.000 1.085 203 A HN 0.205 nan 8.150 nan 0.000 0.519 204 W N 2.168 123.542 121.300 0.124 0.000 3.259 204 W HA 0.388 5.048 4.660 0.000 0.000 0.331 204 W C -3.229 173.322 176.519 0.052 0.000 1.144 204 W CA -2.157 55.236 57.345 0.081 0.000 1.227 204 W CB 2.272 31.780 29.460 0.080 0.000 1.371 204 W HN 0.160 nan 8.180 nan 0.000 0.491 205 P HA -0.006 nan 4.420 nan 0.000 0.269 205 P C -0.627 176.691 177.300 0.029 0.000 1.215 205 P CA 0.340 63.330 63.100 -0.183 0.000 0.780 205 P CB 1.168 32.694 31.700 -0.290 0.000 0.898 206 D N 0.878 121.297 120.400 0.032 0.000 2.427 206 D HA 0.117 4.757 4.640 0.000 0.000 0.226 206 D C 1.251 177.599 176.300 0.080 0.000 1.076 206 D CA -0.454 53.598 54.000 0.087 0.000 0.849 206 D CB 0.738 41.555 40.800 0.028 0.000 1.052 206 D HN 0.187 nan 8.370 nan 0.000 0.515 207 S N 2.010 117.777 115.700 0.113 0.000 2.453 207 S HA -0.066 4.404 4.470 0.000 0.000 0.231 207 S C 1.005 175.668 174.600 0.105 0.000 1.005 207 S CA 0.273 58.530 58.200 0.095 0.000 0.949 207 S CB -0.416 62.846 63.200 0.103 0.000 0.774 207 S HN 0.434 nan 8.310 nan 0.000 0.510 208 S N 1.929 117.715 115.700 0.143 0.000 2.585 208 S HA 0.485 4.955 4.470 0.000 0.000 0.273 208 S C 0.248 174.975 174.600 0.213 0.000 1.339 208 S CA -0.179 58.114 58.200 0.155 0.000 1.028 208 S CB 0.756 64.062 63.200 0.176 0.000 0.906 208 S HN 0.634 nan 8.310 nan 0.000 0.528 209 T N -0.460 114.126 114.554 0.054 0.000 2.937 209 T HA 0.481 4.831 4.350 0.000 0.000 0.283 209 T C 1.173 175.649 174.700 -0.374 0.000 1.012 209 T CA -0.539 61.557 62.100 -0.006 0.000 0.997 209 T CB 0.944 69.805 68.868 -0.013 0.000 1.136 209 T HN 0.502 nan 8.240 nan 0.000 0.551 210 S N -0.141 115.397 115.700 -0.269 0.000 2.368 210 S HA -0.120 4.350 4.470 0.000 0.000 0.225 210 S C 1.832 176.299 174.600 -0.221 0.000 1.030 210 S CA 1.367 59.371 58.200 -0.327 0.000 0.999 210 S CB -0.562 62.596 63.200 -0.071 0.000 0.844 210 S HN 0.876 nan 8.310 nan 0.000 0.459 211 E N 1.184 121.308 120.200 -0.126 0.000 2.058 211 E HA -0.243 4.107 4.350 0.000 0.000 0.194 211 E C 1.314 177.857 176.600 -0.095 0.000 0.997 211 E CA 1.514 57.863 56.400 -0.084 0.000 0.801 211 E CB -0.125 29.545 29.700 -0.050 0.000 0.746 211 E HN 0.348 nan 8.360 nan 0.000 0.450 212 D N 0.242 120.577 120.400 -0.109 0.000 2.116 212 D HA -0.204 4.436 4.640 0.000 0.000 0.193 212 D C 1.848 178.090 176.300 -0.096 0.000 0.998 212 D CA 1.554 55.503 54.000 -0.085 0.000 0.836 212 D CB -0.434 40.327 40.800 -0.064 0.000 0.951 212 D HN 0.332 nan 8.370 nan 0.000 0.449 213 A N 0.734 123.442 122.820 -0.187 0.000 1.877 213 A HA -0.131 4.189 4.320 0.000 0.000 0.216 213 A C 2.476 180.023 177.584 -0.062 0.000 1.186 213 A CA 1.032 52.989 52.037 -0.133 0.000 0.620 213 A CB -0.815 18.042 19.000 -0.238 0.000 0.822 213 A HN 0.215 nan 8.150 nan 0.000 0.443 214 L N -0.692 120.486 121.223 -0.074 0.000 2.093 214 L HA -0.172 4.168 4.340 0.000 0.000 0.208 214 L C 2.498 179.350 176.870 -0.030 0.000 1.085 214 L CA 1.419 56.236 54.840 -0.039 0.000 0.755 214 L CB -0.449 41.585 42.059 -0.041 0.000 0.904 214 L HN 0.326 nan 8.230 nan 0.000 0.435 215 K N -0.203 120.172 120.400 -0.041 0.000 2.148 215 K HA -0.097 4.223 4.320 0.000 0.000 0.204 215 K C 2.097 178.668 176.600 -0.049 0.000 1.050 215 K CA 0.952 57.212 56.287 -0.045 0.000 0.942 215 K CB -0.194 32.277 32.500 -0.048 0.000 0.724 215 K HN 0.151 nan 8.250 nan 0.000 0.446 216 V N 2.245 122.148 119.914 -0.017 0.000 2.233 216 V HA -0.264 3.856 4.120 0.000 0.000 0.247 216 V C 2.372 178.511 176.094 0.075 0.000 1.050 216 V CA 1.662 63.983 62.300 0.034 0.000 1.010 216 V CB -0.469 31.419 31.823 0.108 0.000 0.637 216 V HN 0.243 nan 8.190 nan 0.000 0.444 217 L N 0.300 121.567 121.223 0.073 0.000 2.012 217 L HA -0.255 4.085 4.340 0.000 0.000 0.210 217 L C 2.728 179.625 176.870 0.045 0.000 1.073 217 L CA 2.409 57.298 54.840 0.082 0.000 0.748 217 L CB -0.889 41.198 42.059 0.046 0.000 0.891 217 L HN 0.589 nan 8.230 nan 0.000 0.431 218 E N 0.898 121.098 120.200 -0.001 0.000 2.077 218 E HA -0.305 4.045 4.350 0.000 0.000 0.193 218 E C 2.204 178.765 176.600 -0.064 0.000 0.989 218 E CA 1.420 57.806 56.400 -0.024 0.000 0.800 218 E CB -0.250 29.431 29.700 -0.031 0.000 0.746 218 E HN 0.382 nan 8.360 nan 0.000 0.452 219 K N -0.185 120.133 120.400 -0.137 0.000 2.063 219 K HA -0.178 4.142 4.320 0.000 0.000 0.208 219 K C 1.114 177.492 176.600 -0.370 0.000 1.048 219 K CA 1.580 57.684 56.287 -0.306 0.000 0.928 219 K CB -0.152 32.055 32.500 -0.488 0.000 0.713 219 K HN 0.266 nan 8.250 nan 0.000 0.442 220 Y N -0.124 120.174 120.300 -0.003 0.000 2.461 220 Y HA 0.227 4.777 4.550 0.000 0.000 0.277 220 Y C 1.106 177.005 175.900 -0.002 0.000 1.182 220 Y CA 0.243 58.342 58.100 -0.002 0.000 1.276 220 Y CB 0.439 38.899 38.460 -0.001 0.000 1.087 220 Y HN 0.309 nan 8.280 nan 0.000 0.519 221 G N 0.899 109.749 108.800 0.083 0.000 2.283 221 G HA2 -0.322 3.639 3.960 0.000 0.000 0.280 221 G HA3 -0.322 3.639 3.960 0.000 0.000 0.280 221 G C 0.102 175.040 174.900 0.062 0.000 1.029 221 G CA 0.378 45.511 45.100 0.055 0.000 0.840 221 G HN 0.525 nan 8.290 nan 0.000 0.505 222 I N -0.753 119.864 120.570 0.078 0.000 2.322 222 I HA 0.844 5.014 4.170 0.000 0.000 0.292 222 I C 0.682 176.821 176.117 0.036 0.000 1.060 222 I CA 0.150 61.485 61.300 0.058 0.000 1.309 222 I CB -0.455 37.585 38.000 0.067 0.000 1.415 222 I HN 1.203 nan 8.210 nan 0.000 0.492 223 E N 3.769 123.985 120.200 0.025 0.000 2.360 223 E HA 0.611 4.961 4.350 0.000 0.000 0.269 223 E C 0.355 176.964 176.600 0.015 0.000 1.022 223 E CA 0.099 56.510 56.400 0.017 0.000 0.887 223 E CB 0.428 30.136 29.700 0.013 0.000 0.990 223 E HN 1.774 nan 8.360 nan 0.000 0.426 224 T N -1.607 112.954 114.554 0.012 0.000 2.900 224 T HA 0.630 4.980 4.350 0.000 0.000 0.303 224 T C 0.419 175.124 174.700 0.008 0.000 1.142 224 T CA -0.106 62.000 62.100 0.011 0.000 1.007 224 T CB 1.117 69.993 68.868 0.014 0.000 1.156 224 T HN 1.041 nan 8.240 nan 0.000 0.490 225 S N 0.603 116.307 115.700 0.007 0.000 2.606 225 S HA 0.460 4.930 4.470 0.000 0.000 0.257 225 S C 1.686 176.289 174.600 0.005 0.000 1.327 225 S CA 0.245 58.448 58.200 0.005 0.000 0.984 225 S CB -0.225 62.977 63.200 0.004 0.000 0.941 225 S HN 1.254 nan 8.310 nan 0.000 0.576 226 E N 0.804 121.006 120.200 0.003 0.000 2.106 226 E HA -0.044 4.306 4.350 0.000 0.000 0.192 226 E C 2.186 178.789 176.600 0.004 0.000 0.984 226 E CA 1.607 58.009 56.400 0.003 0.000 0.806 226 E CB -1.440 28.261 29.700 0.002 0.000 0.750 226 E HN 0.701 nan 8.360 nan 0.000 0.458 227 S N 0.038 115.740 115.700 0.004 0.000 2.370 227 S HA -0.144 4.326 4.470 0.000 0.000 0.226 227 S C 2.265 176.869 174.600 0.007 0.000 1.033 227 S CA 1.363 59.566 58.200 0.004 0.000 1.011 227 S CB -0.238 62.963 63.200 0.002 0.000 0.852 227 S HN 0.435 nan 8.310 nan 0.000 0.457 228 V N 2.078 121.997 119.914 0.008 0.000 2.270 228 V HA -0.163 3.957 4.120 0.000 0.000 0.245 228 V C 2.330 178.433 176.094 0.015 0.000 1.043 228 V CA 1.517 63.825 62.300 0.013 0.000 1.014 228 V CB -0.533 31.297 31.823 0.013 0.000 0.645 228 V HN 0.419 nan 8.190 nan 0.000 0.447 229 K N 0.505 120.912 120.400 0.011 0.000 2.074 229 K HA -0.252 4.068 4.320 0.000 0.000 0.209 229 K C 2.203 178.809 176.600 0.010 0.000 1.048 229 K CA 2.110 58.402 56.287 0.008 0.000 0.926 229 K CB -0.345 32.157 32.500 0.004 0.000 0.713 229 K HN 0.589 nan 8.250 nan 0.000 0.444 230 R N 0.241 120.747 120.500 0.010 0.000 2.240 230 R HA 0.127 4.467 4.340 0.000 0.000 0.203 230 R C 2.102 178.412 176.300 0.016 0.000 1.011 230 R CA 0.892 56.998 56.100 0.010 0.000 1.007 230 R CB -0.136 30.168 30.300 0.006 0.000 0.911 230 R HN 0.033 nan 8.270 nan 0.000 0.468 231 A N 2.076 124.908 122.820 0.019 0.000 1.898 231 A HA -0.029 4.291 4.320 0.000 0.000 0.216 231 A C 2.165 179.778 177.584 0.047 0.000 1.181 231 A CA 1.051 53.103 52.037 0.025 0.000 0.620 231 A CB -0.418 18.595 19.000 0.021 0.000 0.819 231 A HN 0.299 nan 8.150 nan 0.000 0.442 232 I N -0.153 120.450 120.570 0.054 0.000 2.286 232 I HA -0.252 3.918 4.170 0.000 0.000 0.248 232 I C 2.056 178.224 176.117 0.085 0.000 1.115 232 I CA 0.992 62.343 61.300 0.085 0.000 1.392 232 I CB -0.306 37.716 38.000 0.036 0.000 1.065 232 I HN 0.278 nan 8.210 nan 0.000 0.418 233 L N 0.246 121.496 121.223 0.044 0.000 2.349 233 L HA -0.174 4.167 4.340 0.000 0.000 0.220 233 L C 0.878 177.777 176.870 0.049 0.000 1.130 233 L CA 0.682 55.543 54.840 0.034 0.000 0.791 233 L CB -0.571 41.498 42.059 0.016 0.000 0.918 233 L HN 0.334 nan 8.230 nan 0.000 0.444 234 Q N 0.879 120.713 119.800 0.058 0.000 2.296 234 Q HA 0.072 4.412 4.340 0.000 0.000 0.263 234 Q C -0.025 176.026 176.000 0.085 0.000 1.026 234 Q CA -0.164 55.667 55.803 0.046 0.000 0.912 234 Q CB 0.831 29.582 28.738 0.023 0.000 1.198 234 Q HN 0.002 nan 8.270 nan 0.000 0.407 235 E N 2.017 122.255 120.200 0.063 0.000 2.366 235 E HA 0.068 4.418 4.350 0.000 0.000 0.266 235 E C -0.641 175.952 176.600 -0.011 0.000 1.051 235 E CA -0.173 56.279 56.400 0.086 0.000 0.884 235 E CB 0.787 30.521 29.700 0.057 0.000 1.006 235 E HN 0.537 nan 8.360 nan 0.000 0.417 236 T N 2.291 116.803 114.554 -0.071 0.000 2.882 236 T HA 0.435 4.785 4.350 0.000 0.000 0.287 236 T C -2.264 172.366 174.700 -0.117 0.000 1.014 236 T CA -1.910 60.090 62.100 -0.166 0.000 1.049 236 T CB 0.960 69.641 68.868 -0.311 0.000 1.001 236 T HN 0.319 nan 8.240 nan 0.000 0.525 237 P HA 0.137 nan 4.420 nan 0.000 0.262 237 P C 0.315 177.499 177.300 -0.193 0.000 1.199 237 P CA -0.247 62.728 63.100 -0.209 0.000 0.763 237 P CB 0.580 32.155 31.700 -0.209 0.000 0.790 238 K N 1.931 122.190 120.400 -0.235 0.000 2.400 238 K HA 0.011 4.331 4.320 0.000 0.000 0.194 238 K C 1.041 177.584 176.600 -0.095 0.000 1.033 238 K CA 0.825 57.039 56.287 -0.122 0.000 1.021 238 K CB -0.033 32.446 32.500 -0.035 0.000 0.808 238 K HN 0.755 nan 8.250 nan 0.000 0.505 239 H N -1.997 117.007 119.070 -0.110 0.000 3.046 239 H HA 0.467 5.024 4.556 0.000 0.000 0.361 239 H C -1.188 174.047 175.328 -0.155 0.000 1.235 239 H CA -0.925 55.039 56.048 -0.141 0.000 1.146 239 H CB 1.086 30.778 29.762 -0.115 0.000 1.859 239 H HN -0.209 nan 8.280 nan 0.000 0.548 240 L N 1.948 123.150 121.223 -0.035 0.000 2.410 240 L HA 0.262 4.602 4.340 0.000 0.000 0.270 240 L C 0.863 177.730 176.870 -0.004 0.000 0.983 240 L CA -0.713 54.094 54.840 -0.054 0.000 0.822 240 L CB 2.427 44.423 42.059 -0.105 0.000 1.285 240 L HN 0.859 nan 8.230 nan 0.000 0.409 241 S N -0.611 115.111 115.700 0.038 0.000 2.511 241 S HA -0.002 4.468 4.470 0.000 0.000 0.214 241 S C 0.762 175.411 174.600 0.081 0.000 0.997 241 S CA -0.077 58.155 58.200 0.053 0.000 0.908 241 S CB -0.096 63.153 63.200 0.081 0.000 0.803 241 S HN 0.786 nan 8.310 nan 0.000 0.504 242 N N 1.459 120.224 118.700 0.109 0.000 2.453 242 N HA 0.218 4.958 4.740 0.000 0.000 0.270 242 N C -0.696 174.850 175.510 0.059 0.000 1.195 242 N CA -0.229 52.888 53.050 0.112 0.000 0.902 242 N CB 0.661 39.271 38.487 0.204 0.000 1.186 242 N HN 0.257 nan 8.380 nan 0.000 0.510 243 V N 0.008 119.945 119.914 0.039 0.000 2.789 243 V HA 0.452 4.572 4.120 0.000 0.000 0.311 243 V C -0.580 175.536 176.094 0.037 0.000 1.073 243 V CA -0.856 61.472 62.300 0.048 0.000 0.921 243 V CB 2.425 34.281 31.823 0.054 0.000 1.009 243 V HN 0.296 nan 8.190 nan 0.000 0.426 244 E N 3.814 124.047 120.200 0.054 0.000 2.241 244 E HA 0.648 4.998 4.350 0.000 0.000 0.263 244 E C -1.809 174.777 176.600 -0.023 0.000 0.882 244 E CA -0.569 55.829 56.400 -0.004 0.000 0.769 244 E CB 1.853 31.570 29.700 0.029 0.000 1.185 244 E HN 0.681 nan 8.360 nan 0.000 0.415 245 I N 4.301 124.807 120.570 -0.105 0.000 2.433 245 I HA 0.353 4.523 4.170 0.000 0.000 0.292 245 I C -0.473 175.471 176.117 -0.289 0.000 1.001 245 I CA -0.820 60.446 61.300 -0.057 0.000 1.119 245 I CB 1.526 39.604 38.000 0.129 0.000 1.289 245 I HN 0.455 nan 8.210 nan 0.000 0.438 246 H N 6.663 125.775 119.070 0.071 0.000 2.529 246 H HA 0.425 4.981 4.556 0.000 0.000 0.348 246 H C -0.827 174.513 175.328 0.021 0.000 1.079 246 H CA -0.737 55.338 56.048 0.044 0.000 1.198 246 H CB 2.532 32.316 29.762 0.036 0.000 1.521 246 H HN 0.349 nan 8.280 nan 0.000 0.514 247 L N 4.881 126.171 121.223 0.111 0.000 2.295 247 L HA 0.155 4.495 4.340 0.000 0.000 0.288 247 L C 1.787 178.691 176.870 0.056 0.000 1.079 247 L CA -0.190 54.681 54.840 0.052 0.000 0.830 247 L CB 0.363 42.434 42.059 0.021 0.000 1.200 247 L HN 0.649 nan 8.230 nan 0.000 0.438 248 I N -0.521 120.073 120.570 0.041 0.000 3.427 248 I HA 0.358 4.528 4.170 0.000 0.000 0.288 248 I C 0.771 176.901 176.117 0.021 0.000 1.249 248 I CA 0.087 61.406 61.300 0.031 0.000 1.421 248 I CB 0.275 38.289 38.000 0.023 0.000 1.086 248 I HN 0.490 nan 8.210 nan 0.000 0.448 249 G N 1.867 110.676 108.800 0.015 0.000 2.746 249 G HA2 0.591 4.551 3.960 0.000 0.000 0.297 249 G HA3 0.591 4.551 3.960 0.000 0.000 0.297 249 G C -1.745 173.158 174.900 0.006 0.000 1.426 249 G CA -0.506 44.604 45.100 0.016 0.000 0.989 249 G HN 0.404 nan 8.290 nan 0.000 0.520 250 N N -0.678 118.026 118.700 0.006 0.000 3.261 250 N HA 0.163 4.903 4.740 0.000 0.000 0.248 250 N C 0.317 175.828 175.510 0.003 0.000 1.498 250 N CA -0.231 52.818 53.050 -0.001 0.000 0.884 250 N CB 1.125 39.607 38.487 -0.009 0.000 1.428 250 N HN 0.529 nan 8.380 nan 0.000 0.517 251 V N 0.380 120.294 119.914 0.000 0.000 2.594 251 V HA -0.207 3.913 4.120 0.000 0.000 0.253 251 V C 2.049 178.141 176.094 -0.003 0.000 1.069 251 V CA 2.129 64.431 62.300 0.003 0.000 1.082 251 V CB -0.687 31.138 31.823 0.004 0.000 0.680 251 V HN 0.622 nan 8.190 nan 0.000 0.469 252 Q N -0.397 119.398 119.800 -0.007 0.000 2.079 252 Q HA -0.265 4.075 4.340 0.000 0.000 0.200 252 Q C 2.329 178.321 176.000 -0.013 0.000 0.974 252 Q CA 1.950 57.746 55.803 -0.012 0.000 0.840 252 Q CB -0.255 28.476 28.738 -0.012 0.000 0.898 252 Q HN 0.583 nan 8.270 nan 0.000 0.430 253 K N 0.443 120.839 120.400 -0.008 0.000 2.103 253 K HA -0.156 4.164 4.320 0.000 0.000 0.207 253 K C 1.894 178.485 176.600 -0.015 0.000 1.048 253 K CA 1.194 57.476 56.287 -0.009 0.000 0.930 253 K CB 0.103 32.602 32.500 -0.002 0.000 0.716 253 K HN 0.022 nan 8.250 nan 0.000 0.444 254 V N 0.181 120.088 119.914 -0.012 0.000 2.453 254 V HA -0.254 3.867 4.120 0.000 0.000 0.247 254 V C 2.344 178.423 176.094 -0.025 0.000 1.048 254 V CA 1.391 63.681 62.300 -0.017 0.000 1.049 254 V CB -0.300 31.521 31.823 -0.003 0.000 0.672 254 V HN 0.490 nan 8.190 nan 0.000 0.457 255 C N 0.045 119.331 119.300 -0.024 0.000 2.440 255 C HA -0.126 4.334 4.460 0.000 0.000 0.278 255 C C 2.533 177.495 174.990 -0.046 0.000 1.295 255 C CA 0.671 59.666 59.018 -0.038 0.000 1.738 255 C CB -0.944 26.772 27.740 -0.041 0.000 1.987 255 C HN 0.582 nan 8.230 nan 0.000 0.492 256 D N 0.492 120.870 120.400 -0.036 0.000 2.117 256 D HA -0.134 4.506 4.640 0.000 0.000 0.197 256 D C 2.088 178.367 176.300 -0.034 0.000 0.987 256 D CA 1.426 55.405 54.000 -0.034 0.000 0.829 256 D CB -0.411 40.374 40.800 -0.025 0.000 0.961 256 D HN 0.522 nan 8.370 nan 0.000 0.460 257 E N 0.684 120.862 120.200 -0.035 0.000 2.072 257 E HA -0.057 4.293 4.350 0.000 0.000 0.191 257 E C 1.907 178.481 176.600 -0.043 0.000 0.985 257 E CA 1.208 57.585 56.400 -0.039 0.000 0.801 257 E CB -0.204 29.469 29.700 -0.046 0.000 0.750 257 E HN 0.156 nan 8.360 nan 0.000 0.452 258 A N 1.054 123.845 122.820 -0.048 0.000 1.902 258 A HA -0.246 4.074 4.320 0.000 0.000 0.217 258 A C 2.157 179.704 177.584 -0.062 0.000 1.181 258 A CA 1.961 53.964 52.037 -0.058 0.000 0.623 258 A CB -0.633 18.330 19.000 -0.061 0.000 0.818 258 A HN 0.260 nan 8.150 nan 0.000 0.443 259 K N 0.325 120.690 120.400 -0.059 0.000 2.032 259 K HA -0.192 4.128 4.320 0.000 0.000 0.209 259 K C 2.255 178.838 176.600 -0.028 0.000 1.048 259 K CA 2.108 58.363 56.287 -0.053 0.000 0.927 259 K CB -0.231 32.238 32.500 -0.052 0.000 0.712 259 K HN 0.619 nan 8.250 nan 0.000 0.441 260 S N 0.524 116.210 115.700 -0.023 0.000 2.406 260 S HA -0.072 4.398 4.470 0.000 0.000 0.228 260 S C 2.060 176.659 174.600 -0.001 0.000 1.020 260 S CA 0.677 58.871 58.200 -0.010 0.000 0.965 260 S CB -0.413 62.779 63.200 -0.014 0.000 0.798 260 S HN 0.285 nan 8.310 nan 0.000 0.488 261 L N 1.338 122.554 121.223 -0.011 0.000 2.027 261 L HA -0.013 4.328 4.340 0.000 0.000 0.206 261 L C 3.198 180.087 176.870 0.031 0.000 1.074 261 L CA 1.226 56.065 54.840 -0.001 0.000 0.745 261 L CB -0.836 41.210 42.059 -0.021 0.000 0.898 261 L HN 0.453 nan 8.230 nan 0.000 0.433 262 A N 0.045 122.871 122.820 0.011 0.000 1.902 262 A HA -0.237 4.083 4.320 0.000 0.000 0.217 262 A C 2.314 180.012 177.584 0.190 0.000 1.181 262 A CA 1.767 53.838 52.037 0.057 0.000 0.623 262 A CB -0.392 18.545 19.000 -0.104 0.000 0.818 262 A HN 0.301 nan 8.150 nan 0.000 0.443 263 K N -0.780 119.680 120.400 0.099 0.000 2.063 263 K HA -0.187 4.133 4.320 0.000 0.000 0.208 263 K C 1.959 178.604 176.600 0.074 0.000 1.048 263 K CA 1.636 57.976 56.287 0.089 0.000 0.928 263 K CB -0.132 32.393 32.500 0.042 0.000 0.713 263 K HN 0.458 nan 8.250 nan 0.000 0.442 264 E N 0.787 121.022 120.200 0.059 0.000 2.333 264 E HA -0.109 4.241 4.350 0.000 0.000 0.198 264 E C 0.731 177.361 176.600 0.050 0.000 1.007 264 E CA 1.070 57.494 56.400 0.040 0.000 0.845 264 E CB 0.239 29.955 29.700 0.027 0.000 0.766 264 E HN 0.120 nan 8.360 nan 0.000 0.507 265 K N -1.565 118.897 120.400 0.102 0.000 2.373 265 K HA 0.231 4.551 4.320 0.000 0.000 0.202 265 K C 0.509 177.095 176.600 -0.023 0.000 1.025 265 K CA 0.496 56.838 56.287 0.091 0.000 1.115 265 K CB 1.200 33.826 32.500 0.210 0.000 0.858 265 K HN 0.171 nan 8.250 nan 0.000 0.525 266 G N 1.422 110.206 108.800 -0.027 0.000 2.144 266 G HA2 -0.231 3.729 3.960 0.000 0.000 0.218 266 G HA3 -0.231 3.729 3.960 0.000 0.000 0.218 266 G C -0.241 174.530 174.900 -0.214 0.000 0.988 266 G CA -0.524 44.492 45.100 -0.140 0.000 0.659 266 G HN 0.157 nan 8.290 nan 0.000 0.522 267 F N 1.395 121.336 119.950 -0.016 0.000 2.385 267 F HA 0.472 4.999 4.527 0.000 0.000 0.336 267 F C 0.756 176.545 175.800 -0.019 0.000 1.100 267 F CA -1.066 56.924 58.000 -0.017 0.000 1.116 267 F CB 0.916 39.905 39.000 -0.018 0.000 1.166 267 F HN -0.080 nan 8.300 nan 0.000 0.511 268 N N 2.631 121.440 118.700 0.182 0.000 2.420 268 N HA 0.418 5.158 4.740 0.000 0.000 0.262 268 N C -0.689 174.885 175.510 0.108 0.000 1.144 268 N CA -0.024 53.089 53.050 0.105 0.000 0.952 268 N CB 1.199 39.724 38.487 0.064 0.000 1.081 268 N HN 0.617 nan 8.380 nan 0.000 0.480 269 A N 1.690 124.544 122.820 0.057 0.000 2.371 269 A HA 0.613 4.933 4.320 0.000 0.000 0.311 269 A C -0.441 177.123 177.584 -0.033 0.000 1.068 269 A CA -0.534 51.504 52.037 0.002 0.000 0.744 269 A CB 1.652 20.650 19.000 -0.004 0.000 1.239 269 A HN 0.525 nan 8.150 nan 0.000 0.435 270 E N 1.366 121.521 120.200 -0.075 0.000 2.383 270 E HA 0.610 4.960 4.350 0.000 0.000 0.275 270 E C -1.568 174.931 176.600 -0.167 0.000 0.918 270 E CA -0.501 55.841 56.400 -0.097 0.000 0.764 270 E CB 1.403 31.055 29.700 -0.080 0.000 1.252 270 E HN 0.526 nan 8.360 nan 0.000 0.449 271 I N 5.385 125.860 120.570 -0.159 0.000 2.312 271 I HA 0.127 4.297 4.170 0.000 0.000 0.291 271 I C 0.808 176.783 176.117 -0.238 0.000 1.031 271 I CA -0.388 60.784 61.300 -0.214 0.000 1.293 271 I CB 0.628 38.547 38.000 -0.137 0.000 1.403 271 I HN 0.569 nan 8.210 nan 0.000 0.484 272 I N 3.297 123.622 120.570 -0.407 0.000 2.400 272 I HA 0.026 4.196 4.170 0.000 0.000 0.248 272 I C 1.115 177.140 176.117 -0.154 0.000 1.109 272 I CA 1.229 62.347 61.300 -0.305 0.000 1.425 272 I CB -0.627 37.099 38.000 -0.456 0.000 1.094 272 I HN 0.563 nan 8.210 nan 0.000 0.425 273 T N -0.326 114.141 114.554 -0.145 0.000 2.886 273 T HA 0.325 4.675 4.350 0.000 0.000 0.330 273 T C 0.231 174.925 174.700 -0.011 0.000 1.488 273 T CA -0.043 62.036 62.100 -0.034 0.000 1.054 273 T CB 1.392 70.271 68.868 0.020 0.000 1.348 273 T HN 0.196 nan 8.240 nan 0.000 0.489 274 T N -0.581 113.966 114.554 -0.010 0.000 3.084 274 T HA 0.257 4.607 4.350 0.000 0.000 0.270 274 T C 0.953 175.655 174.700 0.004 0.000 1.008 274 T CA 0.377 62.476 62.100 -0.002 0.000 0.900 274 T CB -0.117 68.742 68.868 -0.015 0.000 1.084 274 T HN 0.595 nan 8.240 nan 0.000 0.538 275 S N 0.787 116.489 115.700 0.004 0.000 2.624 275 S HA 0.454 4.924 4.470 0.000 0.000 0.246 275 S C -0.066 174.531 174.600 -0.004 0.000 1.072 275 S CA -0.724 57.475 58.200 -0.003 0.000 1.045 275 S CB -0.266 62.928 63.200 -0.009 0.000 0.851 275 S HN 0.278 nan 8.310 nan 0.000 0.480 276 L N 3.709 124.937 121.223 0.008 0.000 2.462 276 L HA 0.353 4.693 4.340 0.000 0.000 0.272 276 L C 0.114 176.976 176.870 -0.015 0.000 1.166 276 L CA 0.821 55.656 54.840 -0.008 0.000 0.880 276 L CB 0.455 42.521 42.059 0.011 0.000 1.142 276 L HN 0.489 nan 8.230 nan 0.000 0.473 277 D N 1.175 121.559 120.400 -0.026 0.000 2.615 277 D HA 0.094 4.734 4.640 0.000 0.000 0.274 277 D C 0.254 176.543 176.300 -0.018 0.000 1.512 277 D CA -0.243 53.747 54.000 -0.018 0.000 0.803 277 D CB -0.910 39.882 40.800 -0.013 0.000 1.182 277 D HN 0.478 nan 8.370 nan 0.000 0.473 278 C N -0.704 118.579 119.300 -0.028 0.000 2.551 278 C HA 0.618 5.078 4.460 0.000 0.000 0.377 278 C C 0.799 175.783 174.990 -0.011 0.000 1.622 278 C CA -0.774 58.233 59.018 -0.019 0.000 1.980 278 C CB 0.835 28.559 27.740 -0.026 0.000 1.946 278 C HN 0.128 nan 8.230 nan 0.000 0.525 279 E N 0.177 120.377 120.200 0.000 0.000 2.465 279 E HA 0.183 4.533 4.350 0.000 0.000 0.260 279 E C 1.203 177.804 176.600 0.001 0.000 0.980 279 E CA 0.766 57.169 56.400 0.005 0.000 0.927 279 E CB 1.196 30.904 29.700 0.014 0.000 0.934 279 E HN 0.793 nan 8.360 nan 0.000 0.459 280 A N 5.660 128.481 122.820 0.001 0.000 1.865 280 A HA -0.268 4.053 4.320 0.000 0.000 0.217 280 A C 1.980 179.562 177.584 -0.003 0.000 1.191 280 A CA 2.099 54.134 52.037 -0.004 0.000 0.623 280 A CB -0.348 18.654 19.000 0.004 0.000 0.826 280 A HN 0.751 nan 8.150 nan 0.000 0.444 281 R N -0.874 119.631 120.500 0.008 0.000 2.120 281 R HA -0.100 4.240 4.340 0.000 0.000 0.234 281 R C 1.386 177.696 176.300 0.016 0.000 1.123 281 R CA 1.597 57.704 56.100 0.012 0.000 0.975 281 R CB -0.408 29.903 30.300 0.019 0.000 0.866 281 R HN 0.416 nan 8.270 nan 0.000 0.446 282 E N 1.373 121.588 120.200 0.024 0.000 2.112 282 E HA -0.022 4.328 4.350 0.000 0.000 0.190 282 E C 2.153 178.796 176.600 0.070 0.000 0.979 282 E CA 1.170 57.599 56.400 0.048 0.000 0.814 282 E CB -0.232 29.502 29.700 0.056 0.000 0.762 282 E HN 0.500 nan 8.360 nan 0.000 0.460 283 A N 1.478 124.313 122.820 0.025 0.000 1.978 283 A HA -0.088 4.232 4.320 0.000 0.000 0.220 283 A C 2.452 180.009 177.584 -0.045 0.000 1.170 283 A CA 1.837 53.860 52.037 -0.023 0.000 0.636 283 A CB -1.053 17.897 19.000 -0.083 0.000 0.810 283 A HN 0.327 nan 8.150 nan 0.000 0.448 284 G N -0.616 108.166 108.800 -0.031 0.000 2.402 284 G HA2 -0.202 3.758 3.960 0.000 0.000 0.216 284 G HA3 -0.202 3.758 3.960 0.000 0.000 0.216 284 G C 1.759 176.650 174.900 -0.015 0.000 1.162 284 G CA 0.756 45.832 45.100 -0.040 0.000 0.777 284 G HN 0.558 nan 8.290 nan 0.000 0.539 285 R N -1.018 119.492 120.500 0.016 0.000 2.092 285 R HA 0.033 4.373 4.340 0.000 0.000 0.231 285 R C 2.257 178.573 176.300 0.027 0.000 1.119 285 R CA 0.841 56.950 56.100 0.015 0.000 0.970 285 R CB -0.459 29.847 30.300 0.009 0.000 0.864 285 R HN 0.387 nan 8.270 nan 0.000 0.440 286 F N 1.520 121.428 119.950 -0.070 0.000 2.113 286 F HA -0.084 4.443 4.527 0.000 0.000 0.297 286 F C 2.123 177.868 175.800 -0.092 0.000 1.103 286 F CA 1.111 59.072 58.000 -0.065 0.000 1.248 286 F CB -0.227 38.730 39.000 -0.072 0.000 0.999 286 F HN -0.150 nan 8.300 nan 0.000 0.475 287 I N -0.212 120.408 120.570 0.085 0.000 2.179 287 I HA -0.343 3.827 4.170 0.000 0.000 0.242 287 I C 2.661 178.785 176.117 0.012 0.000 1.088 287 I CA 1.206 62.441 61.300 -0.108 0.000 1.357 287 I CB -0.994 36.741 38.000 -0.443 0.000 1.051 287 I HN 0.169 nan 8.210 nan 0.000 0.409 288 A N 0.468 123.288 122.820 0.000 0.000 1.903 288 A HA -0.273 4.047 4.320 0.000 0.000 0.219 288 A C 2.481 180.084 177.584 0.032 0.000 1.191 288 A CA 2.621 54.668 52.037 0.016 0.000 0.638 288 A CB -0.941 18.064 19.000 0.008 0.000 0.823 288 A HN 0.442 nan 8.150 nan 0.000 0.451 289 S N -0.369 115.336 115.700 0.009 0.000 2.382 289 S HA -0.013 4.457 4.470 0.000 0.000 0.228 289 S C 1.081 175.706 174.600 0.041 0.000 1.027 289 S CA 0.891 59.084 58.200 -0.012 0.000 0.991 289 S CB -0.560 62.557 63.200 -0.138 0.000 0.823 289 S HN 0.519 nan 8.310 nan 0.000 0.469 293 E N 1.940 122.201 120.200 0.102 0.000 2.106 293 E HA -0.068 4.282 4.350 0.000 0.000 0.192 293 E C 1.669 178.306 176.600 0.062 0.000 0.984 293 E CA 1.497 57.959 56.400 0.103 0.000 0.806 293 E CB 0.116 29.867 29.700 0.084 0.000 0.750 293 E HN 0.106 nan 8.360 nan 0.000 0.458 294 V N 0.615 120.545 119.914 0.026 0.000 2.307 294 V HA -0.244 3.876 4.120 0.000 0.000 0.245 294 V C 2.337 178.392 176.094 -0.065 0.000 1.045 294 V CA 2.039 64.339 62.300 -0.000 0.000 1.024 294 V CB -0.560 31.269 31.823 0.011 0.000 0.651 294 V HN 0.221 nan 8.190 nan 0.000 0.449 295 K N 0.385 120.676 120.400 -0.181 0.000 2.009 295 K HA -0.159 4.162 4.320 0.000 0.000 0.210 295 K C 1.663 178.021 176.600 -0.403 0.000 1.049 295 K CA 2.172 58.218 56.287 -0.402 0.000 0.929 295 K CB -0.434 31.618 32.500 -0.747 0.000 0.714 295 K HN 0.412 nan 8.250 nan 0.000 0.440 296 F N -0.101 119.861 119.950 0.021 0.000 2.656 296 F HA 0.235 4.762 4.527 0.000 0.000 0.291 296 F C 1.415 177.223 175.800 0.014 0.000 1.122 296 F CA 0.337 58.346 58.000 0.015 0.000 1.427 296 F CB 0.372 39.378 39.000 0.010 0.000 1.125 296 F HN -0.103 nan 8.300 nan 0.000 0.583 297 K N -0.533 119.959 120.400 0.154 0.000 2.438 297 K HA 0.109 4.429 4.320 0.000 0.000 0.206 297 K C -0.301 176.335 176.600 0.059 0.000 1.081 297 K CA 0.218 56.565 56.287 0.100 0.000 1.053 297 K CB 0.263 32.819 32.500 0.093 0.000 0.908 297 K HN -0.036 nan 8.250 nan 0.000 0.556 298 D N 2.005 122.429 120.400 0.040 0.000 2.772 298 D HA -0.179 4.461 4.640 0.000 0.000 0.233 298 D C -0.695 175.623 176.300 0.030 0.000 1.143 298 D CA 0.974 54.989 54.000 0.026 0.000 0.700 298 D CB -0.423 40.391 40.800 0.023 0.000 1.076 298 D HN 0.463 nan 8.370 nan 0.000 0.430 299 R N -2.348 118.175 120.500 0.037 0.000 2.680 299 R HA 0.533 4.873 4.340 0.000 0.000 0.269 299 R C -2.695 173.634 176.300 0.048 0.000 1.026 299 R CA -1.449 54.675 56.100 0.039 0.000 0.889 299 R CB 1.184 31.508 30.300 0.040 0.000 1.241 299 R HN -0.259 nan 8.270 nan 0.000 0.463 300 P HA 0.050 nan 4.420 nan 0.000 0.242 300 P C -0.246 177.070 177.300 0.027 0.000 1.197 300 P CA 0.457 63.580 63.100 0.038 0.000 0.765 300 P CB 0.402 32.127 31.700 0.042 0.000 0.936 301 L N -0.633 120.607 121.223 0.029 0.000 2.354 301 L HA 0.437 4.777 4.340 0.000 0.000 0.264 301 L C 0.490 177.377 176.870 0.028 0.000 1.008 301 L CA -1.248 53.608 54.840 0.026 0.000 0.819 301 L CB 2.470 44.544 42.059 0.026 0.000 1.339 301 L HN -0.344 nan 8.230 nan 0.000 0.420 302 K N 1.507 121.923 120.400 0.026 0.000 2.185 302 K HA 0.317 4.637 4.320 0.000 0.000 0.271 302 K C -0.670 175.947 176.600 0.029 0.000 1.013 302 K CA -0.723 55.578 56.287 0.022 0.000 0.943 302 K CB 1.011 33.520 32.500 0.015 0.000 0.998 302 K HN 0.412 nan 8.250 nan 0.000 0.468 303 K N 3.152 123.564 120.400 0.019 0.000 2.401 303 K HA 0.089 4.409 4.320 0.000 0.000 0.278 303 K C -2.075 174.524 176.600 -0.001 0.000 1.018 303 K CA -1.279 55.020 56.287 0.020 0.000 0.981 303 K CB 0.056 32.556 32.500 -0.001 0.000 0.933 303 K HN 0.393 nan 8.250 nan 0.000 0.477 304 P HA 0.179 nan 4.420 nan 0.000 0.287 304 P C -1.422 176.013 177.300 0.224 0.000 1.281 304 P CA -0.430 62.688 63.100 0.029 0.000 0.781 304 P CB 1.469 33.034 31.700 -0.225 0.000 0.903 305 A N 2.865 125.870 122.820 0.308 0.000 2.356 305 A HA 0.809 5.129 4.320 0.000 0.000 0.323 305 A C -0.807 176.873 177.584 0.160 0.000 1.119 305 A CA -0.740 51.436 52.037 0.231 0.000 0.790 305 A CB 1.568 20.626 19.000 0.098 0.000 1.273 305 A HN 0.564 nan 8.150 nan 0.000 0.452 306 A N 1.818 124.642 122.820 0.006 0.000 2.411 306 A HA 0.627 4.947 4.320 0.000 0.000 0.285 306 A C -1.011 176.501 177.584 -0.120 0.000 1.129 306 A CA -0.277 51.646 52.037 -0.189 0.000 0.736 306 A CB 0.337 19.100 19.000 -0.395 0.000 1.186 306 A HN 0.740 nan 8.150 nan 0.000 0.445 307 L N 3.184 124.352 121.223 -0.092 0.000 2.275 307 L HA 0.559 4.899 4.340 0.000 0.000 0.288 307 L C -0.677 176.060 176.870 -0.221 0.000 1.046 307 L CA -0.316 54.435 54.840 -0.147 0.000 0.805 307 L CB 1.374 43.442 42.059 0.016 0.000 1.193 307 L HN 0.591 nan 8.230 nan 0.000 0.426 308 I N 3.251 123.559 120.570 -0.436 0.000 2.433 308 I HA 0.454 4.624 4.170 0.000 0.000 0.292 308 I C -0.840 174.939 176.117 -0.564 0.000 1.001 308 I CA -0.169 60.939 61.300 -0.320 0.000 1.119 308 I CB 1.480 39.363 38.000 -0.195 0.000 1.289 308 I HN 0.288 nan 8.210 nan 0.000 0.438 309 F N 3.277 123.205 119.950 -0.036 0.000 2.565 309 F HA 0.828 5.355 4.527 0.000 0.000 0.313 309 F C 0.490 176.271 175.800 -0.032 0.000 1.091 309 F CA -0.801 57.178 58.000 -0.035 0.000 0.915 309 F CB 2.287 41.266 39.000 -0.035 0.000 1.208 309 F HN 0.393 nan 8.300 nan 0.000 0.453 310 G N -0.119 108.763 108.800 0.137 0.000 2.659 310 G HA2 0.718 4.678 3.960 0.000 0.000 0.296 310 G HA3 0.718 4.678 3.960 0.000 0.000 0.296 310 G C -0.804 174.131 174.900 0.058 0.000 1.369 310 G CA -0.395 44.748 45.100 0.073 0.000 0.937 310 G HN 1.106 nan 8.290 nan 0.000 0.485 311 G N -0.595 108.227 108.800 0.037 0.000 2.404 311 G HA2 0.444 4.404 3.960 0.000 0.000 0.253 311 G HA3 0.444 4.404 3.960 0.000 0.000 0.253 311 G C -1.613 173.296 174.900 0.014 0.000 1.253 311 G CA -0.298 44.814 45.100 0.020 0.000 0.917 311 G HN 0.750 nan 8.290 nan 0.000 0.480 312 E N 0.891 121.095 120.200 0.006 0.000 2.621 312 E HA 0.479 4.829 4.350 0.000 0.000 0.263 312 E C 0.285 176.885 176.600 0.000 0.000 1.033 312 E CA -0.290 56.113 56.400 0.005 0.000 0.778 312 E CB 0.669 30.372 29.700 0.004 0.000 1.426 312 E HN 0.776 nan 8.360 nan 0.000 0.394 313 T N -0.615 113.938 114.554 -0.001 0.000 2.726 313 T HA 0.435 4.786 4.350 0.000 0.000 0.294 313 T C 0.690 175.390 174.700 0.000 0.000 1.013 313 T CA -0.477 61.620 62.100 -0.005 0.000 0.996 313 T CB 1.259 70.121 68.868 -0.010 0.000 1.016 313 T HN 0.224 nan 8.240 nan 0.000 0.529 314 V N -2.483 117.431 119.914 0.000 0.000 3.102 314 V HA 0.896 5.016 4.120 0.000 0.000 0.312 314 V C -0.921 175.177 176.094 0.007 0.000 1.135 314 V CA -1.131 61.172 62.300 0.004 0.000 1.022 314 V CB 1.914 33.739 31.823 0.003 0.000 1.056 314 V HN 0.834 nan 8.190 nan 0.000 0.436 315 V N 1.231 121.151 119.914 0.009 0.000 2.577 315 V HA 0.648 4.768 4.120 0.000 0.000 0.303 315 V C 0.338 176.438 176.094 0.010 0.000 1.042 315 V CA 0.309 62.616 62.300 0.012 0.000 0.872 315 V CB 1.367 33.200 31.823 0.016 0.000 0.998 315 V HN 1.479 nan 8.190 nan 0.000 0.423 316 H N 3.347 122.423 119.070 0.010 0.000 2.846 316 H HA 0.643 5.199 4.556 0.000 0.000 0.278 316 H C -0.206 175.127 175.328 0.009 0.000 1.117 316 H CA -0.479 55.574 56.048 0.008 0.000 1.406 316 H CB 0.794 30.560 29.762 0.008 0.000 1.445 316 H HN 0.587 nan 8.280 nan 0.000 0.469 317 V N 4.203 124.122 119.914 0.007 0.000 2.439 317 V HA 0.085 4.205 4.120 0.000 0.000 0.271 317 V C 0.736 176.833 176.094 0.005 0.000 1.040 317 V CA 0.289 62.593 62.300 0.008 0.000 1.002 317 V CB 0.924 32.751 31.823 0.007 0.000 1.000 317 V HN 0.912 nan 8.190 nan 0.000 0.477 318 K N 3.200 123.604 120.400 0.006 0.000 2.350 318 K HA 0.328 4.648 4.320 0.000 0.000 0.196 318 K C 0.940 177.540 176.600 -0.000 0.000 1.084 318 K CA 0.690 56.979 56.287 0.003 0.000 0.967 318 K CB 0.477 32.979 32.500 0.003 0.000 0.950 318 K HN 0.773 nan 8.250 nan 0.000 0.512 319 G N 0.408 109.209 108.800 0.001 0.000 2.753 319 G HA2 0.165 4.125 3.960 0.000 0.000 0.285 319 G HA3 0.165 4.125 3.960 0.000 0.000 0.285 319 G C -0.251 174.648 174.900 -0.002 0.000 1.344 319 G CA -0.402 44.695 45.100 -0.004 0.000 1.050 319 G HN 0.243 nan 8.290 nan 0.000 0.532 320 N N -0.738 117.959 118.700 -0.005 0.000 2.235 320 N HA 0.201 4.941 4.740 0.000 0.000 0.231 320 N C 0.729 176.241 175.510 0.004 0.000 1.177 320 N CA 0.110 53.158 53.050 -0.003 0.000 0.874 320 N CB 0.433 38.916 38.487 -0.008 0.000 1.097 320 N HN 0.596 nan 8.380 nan 0.000 0.518 321 G N 0.871 109.679 108.800 0.014 0.000 2.588 321 G HA2 0.481 4.441 3.960 0.000 0.000 0.278 321 G HA3 0.481 4.441 3.960 0.000 0.000 0.278 321 G C 0.044 174.968 174.900 0.041 0.000 1.307 321 G CA -0.683 44.441 45.100 0.039 0.000 1.016 321 G HN 0.423 nan 8.290 nan 0.000 0.503 322 I N -2.361 118.248 120.570 0.065 0.000 2.441 322 I HA 0.923 5.093 4.170 0.000 0.000 0.295 322 I C 0.294 176.477 176.117 0.110 0.000 0.994 322 I CA -0.615 60.705 61.300 0.033 0.000 1.144 322 I CB 2.050 40.009 38.000 -0.068 0.000 1.314 322 I HN 0.852 nan 8.210 nan 0.000 0.445 323 G N 2.858 111.709 108.800 0.084 0.000 2.435 323 G HA2 0.723 4.683 3.960 0.000 0.000 0.296 323 G HA3 0.723 4.683 3.960 0.000 0.000 0.296 323 G C -1.103 173.849 174.900 0.085 0.000 1.240 323 G CA -0.317 44.861 45.100 0.131 0.000 0.872 323 G HN 1.142 nan 8.290 nan 0.000 0.480 324 G N -1.653 107.194 108.800 0.079 0.000 2.523 324 G HA2 0.555 4.515 3.960 0.000 0.000 0.291 324 G HA3 0.555 4.515 3.960 0.000 0.000 0.291 324 G C 0.603 175.531 174.900 0.046 0.000 1.450 324 G CA 0.486 45.620 45.100 0.056 0.000 0.790 324 G HN 1.020 nan 8.290 nan 0.000 0.496 325 R N 0.035 120.555 120.500 0.033 0.000 2.094 325 R HA -0.117 4.223 4.340 0.000 0.000 0.239 325 R C 1.497 177.810 176.300 0.021 0.000 1.137 325 R CA 1.674 57.788 56.100 0.024 0.000 0.943 325 R CB -0.448 29.862 30.300 0.017 0.000 0.850 325 R HN 0.401 nan 8.270 nan 0.000 0.433 326 N N 0.951 119.666 118.700 0.025 0.000 2.244 326 N HA -0.149 4.591 4.740 0.000 0.000 0.183 326 N C 1.812 177.333 175.510 0.019 0.000 1.016 326 N CA 1.439 54.501 53.050 0.019 0.000 0.866 326 N CB -0.102 38.399 38.487 0.023 0.000 0.980 326 N HN 0.529 nan 8.380 nan 0.000 0.430 327 Q N 0.693 120.513 119.800 0.033 0.000 2.172 327 Q HA 0.003 4.343 4.340 0.000 0.000 0.200 327 Q C 1.640 177.656 176.000 0.026 0.000 0.964 327 Q CA 0.712 56.534 55.803 0.032 0.000 0.855 327 Q CB 0.111 28.888 28.738 0.065 0.000 0.918 327 Q HN 0.431 nan 8.270 nan 0.000 0.444 328 E N 0.799 121.019 120.200 0.032 0.000 2.072 328 E HA -0.167 4.183 4.350 0.000 0.000 0.191 328 E C 2.075 178.682 176.600 0.013 0.000 0.985 328 E CA 0.616 57.033 56.400 0.028 0.000 0.801 328 E CB -0.079 29.640 29.700 0.030 0.000 0.750 328 E HN 0.300 nan 8.360 nan 0.000 0.452 329 L N 0.812 122.037 121.223 0.003 0.000 2.012 329 L HA -0.232 4.108 4.340 0.000 0.000 0.210 329 L C 2.402 179.262 176.870 -0.016 0.000 1.073 329 L CA 1.719 56.551 54.840 -0.013 0.000 0.748 329 L CB -0.246 41.798 42.059 -0.025 0.000 0.891 329 L HN 0.061 nan 8.230 nan 0.000 0.431 330 A N -0.493 122.320 122.820 -0.012 0.000 1.873 330 A HA -0.222 4.098 4.320 0.000 0.000 0.215 330 A C 2.144 179.719 177.584 -0.014 0.000 1.186 330 A CA 1.751 53.778 52.037 -0.016 0.000 0.616 330 A CB -0.931 18.059 19.000 -0.017 0.000 0.823 330 A HN 0.476 nan 8.150 nan 0.000 0.442 331 L N -0.149 121.069 121.223 -0.009 0.000 2.083 331 L HA -0.094 4.246 4.340 0.000 0.000 0.209 331 L C 2.511 179.383 176.870 0.003 0.000 1.083 331 L CA 2.595 57.432 54.840 -0.006 0.000 0.752 331 L CB -0.688 41.374 42.059 0.005 0.000 0.899 331 L HN 0.339 nan 8.230 nan 0.000 0.433 332 S N -0.900 114.804 115.700 0.006 0.000 2.368 332 S HA -0.091 4.379 4.470 0.000 0.000 0.224 332 S C 2.150 176.751 174.600 0.002 0.000 1.029 332 S CA 1.021 59.226 58.200 0.008 0.000 0.988 332 S CB -0.402 62.803 63.200 0.009 0.000 0.838 332 S HN 0.658 nan 8.310 nan 0.000 0.462 333 A N 1.427 124.244 122.820 -0.006 0.000 1.902 333 A HA 0.208 4.528 4.320 0.000 0.000 0.217 333 A C 2.461 180.044 177.584 -0.003 0.000 1.181 333 A CA 1.796 53.828 52.037 -0.008 0.000 0.623 333 A CB -1.385 17.603 19.000 -0.019 0.000 0.818 333 A HN 0.750 nan 8.150 nan 0.000 0.443 334 A N 0.151 122.968 122.820 -0.005 0.000 1.908 334 A HA -0.150 4.170 4.320 0.000 0.000 0.218 334 A C 2.123 179.708 177.584 0.003 0.000 1.181 334 A CA 1.657 53.691 52.037 -0.005 0.000 0.627 334 A CB -0.655 18.336 19.000 -0.014 0.000 0.818 334 A HN 0.524 nan 8.150 nan 0.000 0.445 335 I N -0.338 120.236 120.570 0.005 0.000 2.142 335 I HA -0.295 3.875 4.170 0.000 0.000 0.240 335 I C 2.973 179.098 176.117 0.013 0.000 1.078 335 I CA 1.196 62.503 61.300 0.011 0.000 1.343 335 I CB -0.449 37.560 38.000 0.015 0.000 1.046 335 I HN 0.358 nan 8.210 nan 0.000 0.405 336 A N 0.618 123.445 122.820 0.012 0.000 2.024 336 A HA -0.107 4.213 4.320 0.000 0.000 0.220 336 A C 2.064 179.664 177.584 0.027 0.000 1.164 336 A CA 1.381 53.427 52.037 0.015 0.000 0.643 336 A CB -0.675 18.330 19.000 0.009 0.000 0.806 336 A HN 0.479 nan 8.150 nan 0.000 0.451 337 L N -0.381 120.857 121.223 0.025 0.000 2.700 337 L HA 0.164 4.504 4.340 0.000 0.000 0.234 337 L C 0.722 177.613 176.870 0.035 0.000 1.156 337 L CA -0.341 54.519 54.840 0.034 0.000 0.946 337 L CB -0.164 41.907 42.059 0.020 0.000 1.216 337 L HN 0.421 nan 8.230 nan 0.000 0.493 338 E N 1.155 121.373 120.200 0.030 0.000 2.465 338 E HA 0.110 4.460 4.350 0.000 0.000 0.260 338 E C 1.152 177.776 176.600 0.039 0.000 0.980 338 E CA 0.883 57.299 56.400 0.027 0.000 0.927 338 E CB 0.380 30.092 29.700 0.020 0.000 0.934 338 E HN 0.348 nan 8.360 nan 0.000 0.459 339 G N 4.178 112.999 108.800 0.036 0.000 2.157 339 G HA2 -0.247 3.713 3.960 0.000 0.000 0.248 339 G HA3 -0.247 3.713 3.960 0.000 0.000 0.248 339 G C 0.144 175.085 174.900 0.068 0.000 0.979 339 G CA 0.168 45.295 45.100 0.045 0.000 0.650 339 G HN 0.544 nan 8.290 nan 0.000 0.529 340 I N 1.276 121.886 120.570 0.067 0.000 2.330 340 I HA 0.316 4.486 4.170 0.000 0.000 0.289 340 I C 0.630 176.763 176.117 0.027 0.000 1.001 340 I CA -0.681 60.663 61.300 0.074 0.000 1.193 340 I CB 1.344 39.388 38.000 0.073 0.000 1.345 340 I HN 0.082 nan 8.210 nan 0.000 0.461 341 E N 3.886 124.100 120.200 0.024 0.000 2.398 341 E HA 0.240 4.590 4.350 0.000 0.000 0.263 341 E C 0.952 177.539 176.600 -0.020 0.000 1.046 341 E CA 0.739 57.143 56.400 0.006 0.000 0.908 341 E CB 0.771 30.478 29.700 0.012 0.000 0.963 341 E HN 0.922 nan 8.360 nan 0.000 0.431 342 G N 1.347 110.140 108.800 -0.012 0.000 2.141 342 G HA2 -0.245 3.715 3.960 0.000 0.000 0.242 342 G HA3 -0.245 3.715 3.960 0.000 0.000 0.242 342 G C -0.099 174.795 174.900 -0.011 0.000 0.982 342 G CA 0.233 45.325 45.100 -0.013 0.000 0.662 342 G HN 0.571 nan 8.290 nan 0.000 0.527 343 V N -1.684 118.224 119.914 -0.011 0.000 2.540 343 V HA 0.879 4.999 4.120 0.000 0.000 0.302 343 V C 0.022 176.116 176.094 0.001 0.000 1.035 343 V CA -1.611 60.683 62.300 -0.009 0.000 0.873 343 V CB 2.153 33.963 31.823 -0.022 0.000 0.992 343 V HN 0.218 nan 8.190 nan 0.000 0.428 344 I N 5.551 126.123 120.570 0.004 0.000 2.498 344 I HA 0.555 4.725 4.170 0.000 0.000 0.290 344 I C -0.682 175.432 176.117 -0.005 0.000 1.032 344 I CA -0.448 60.851 61.300 -0.001 0.000 1.073 344 I CB 1.955 39.955 38.000 0.001 0.000 1.251 344 I HN 0.741 nan 8.210 nan 0.000 0.426 345 L N 6.571 127.791 121.223 -0.005 0.000 2.365 345 L HA 0.666 5.006 4.340 0.000 0.000 0.273 345 L C -1.225 175.641 176.870 -0.007 0.000 1.000 345 L CA -0.155 54.683 54.840 -0.003 0.000 0.819 345 L CB 1.958 44.014 42.059 -0.004 0.000 1.284 345 L HN 0.769 nan 8.230 nan 0.000 0.418 346 C N 3.999 123.297 119.300 -0.003 0.000 2.381 346 C HA 0.780 5.240 4.460 0.000 0.000 0.328 346 C C -0.098 174.895 174.990 0.005 0.000 1.190 346 C CA -0.288 58.728 59.018 -0.005 0.000 1.369 346 C CB 0.560 28.294 27.740 -0.011 0.000 2.029 346 C HN 0.900 nan 8.230 nan 0.000 0.448 347 S N 4.563 120.265 115.700 0.003 0.000 2.537 347 S HA 0.939 5.409 4.470 0.000 0.000 0.301 347 S C -0.569 174.040 174.600 0.015 0.000 1.092 347 S CA -0.256 57.950 58.200 0.010 0.000 1.048 347 S CB 1.827 65.028 63.200 0.001 0.000 1.053 347 S HN 1.888 nan 8.310 nan 0.000 0.501 348 A N 1.454 124.287 122.820 0.023 0.000 2.517 348 A HA 0.761 5.081 4.320 0.000 0.000 0.297 348 A C -0.000 177.604 177.584 0.034 0.000 1.050 348 A CA -0.467 51.587 52.037 0.028 0.000 0.694 348 A CB 0.934 19.952 19.000 0.029 0.000 1.277 348 A HN 1.451 nan 8.150 nan 0.000 0.400 349 G N 0.937 109.760 108.800 0.038 0.000 2.364 349 G HA2 0.417 4.377 3.960 0.000 0.000 0.267 349 G HA3 0.417 4.377 3.960 0.000 0.000 0.267 349 G C 0.985 175.914 174.900 0.048 0.000 1.233 349 G CA 0.505 45.630 45.100 0.040 0.000 0.885 349 G HN 1.393 nan 8.290 nan 0.000 0.490 350 T N 0.259 114.844 114.554 0.051 0.000 3.007 350 T HA -0.122 4.228 4.350 0.000 0.000 0.270 350 T C 1.522 176.267 174.700 0.074 0.000 1.107 350 T CA 1.247 63.388 62.100 0.069 0.000 1.118 350 T CB -0.064 68.844 68.868 0.067 0.000 0.889 350 T HN 0.362 nan 8.240 nan 0.000 0.506 351 D N 2.312 122.744 120.400 0.053 0.000 2.160 351 D HA -0.042 4.598 4.640 0.000 0.000 0.189 351 D C 2.011 178.337 176.300 0.042 0.000 1.003 351 D CA 2.497 56.522 54.000 0.042 0.000 0.846 351 D CB -0.917 39.907 40.800 0.040 0.000 0.949 351 D HN 0.688 nan 8.370 nan 0.000 0.446 352 G N -1.537 107.293 108.800 0.050 0.000 2.179 352 G HA2 -0.194 3.766 3.960 0.000 0.000 0.220 352 G HA3 -0.194 3.766 3.960 0.000 0.000 0.220 352 G C 0.265 175.191 174.900 0.044 0.000 0.990 352 G CA 0.681 45.810 45.100 0.047 0.000 0.646 352 G HN 0.693 nan 8.290 nan 0.000 0.517 353 T N -1.387 113.193 114.554 0.043 0.000 2.965 353 T HA 0.557 4.907 4.350 0.000 0.000 0.306 353 T C -1.400 173.328 174.700 0.047 0.000 0.991 353 T CA -0.195 61.932 62.100 0.044 0.000 1.001 353 T CB 2.505 71.394 68.868 0.036 0.000 0.984 353 T HN 0.101 nan 8.240 nan 0.000 0.446 354 D N 2.470 122.904 120.400 0.057 0.000 2.274 354 D HA 0.590 5.230 4.640 0.000 0.000 0.239 354 D C 1.244 177.575 176.300 0.051 0.000 1.104 354 D CA 1.425 55.459 54.000 0.056 0.000 0.840 354 D CB 0.706 41.548 40.800 0.070 0.000 1.100 354 D HN 1.065 nan 8.370 nan 0.000 0.477 355 G N 4.482 113.304 108.800 0.037 0.000 2.598 355 G HA2 -0.208 3.752 3.960 0.000 0.000 0.269 355 G HA3 -0.208 3.752 3.960 0.000 0.000 0.269 355 G C -2.050 172.856 174.900 0.010 0.000 1.289 355 G CA -0.222 44.892 45.100 0.024 0.000 0.926 355 G HN 0.584 nan 8.290 nan 0.000 0.567 356 P HA 0.360 nan 4.420 nan 0.000 0.209 356 P C -0.054 177.201 177.300 -0.076 0.000 1.843 356 P CA 0.795 63.876 63.100 -0.031 0.000 0.985 356 P CB 0.100 31.779 31.700 -0.035 0.000 1.904 357 T N -2.139 112.382 114.554 -0.055 0.000 2.841 357 T HA 0.349 4.699 4.350 0.000 0.000 0.296 357 T C 0.345 175.047 174.700 0.004 0.000 1.166 357 T CA -0.663 61.378 62.100 -0.098 0.000 1.007 357 T CB 1.338 70.132 68.868 -0.123 0.000 1.253 357 T HN -0.042 nan 8.240 nan 0.000 0.511 358 D N 0.234 120.660 120.400 0.043 0.000 2.340 358 D HA 0.338 4.978 4.640 0.000 0.000 0.220 358 D C 0.747 177.116 176.300 0.116 0.000 1.039 358 D CA -0.069 53.976 54.000 0.076 0.000 0.866 358 D CB -0.236 40.610 40.800 0.076 0.000 0.913 358 D HN 0.802 nan 8.370 nan 0.000 0.523 359 A N -0.160 122.768 122.820 0.179 0.000 2.312 359 A HA 0.724 5.044 4.320 0.000 0.000 0.328 359 A C 1.064 178.709 177.584 0.100 0.000 1.158 359 A CA -0.210 51.913 52.037 0.143 0.000 0.821 359 A CB 1.541 20.644 19.000 0.172 0.000 1.170 359 A HN 0.129 nan 8.150 nan 0.000 0.490 360 A N 0.961 123.821 122.820 0.067 0.000 2.030 360 A HA 0.543 4.864 4.320 0.000 0.000 0.215 360 A C 1.171 178.783 177.584 0.048 0.000 1.164 360 A CA 1.645 53.715 52.037 0.055 0.000 0.697 360 A CB -0.299 18.729 19.000 0.048 0.000 0.827 360 A HN 2.228 nan 8.150 nan 0.000 0.457 361 G N -2.613 106.211 108.800 0.040 0.000 2.441 361 G HA2 0.494 4.454 3.960 0.000 0.000 0.225 361 G HA3 0.494 4.454 3.960 0.000 0.000 0.225 361 G C -0.362 174.541 174.900 0.005 0.000 1.200 361 G CA 0.098 45.215 45.100 0.027 0.000 0.947 361 G HN 0.983 nan 8.290 nan 0.000 0.484 362 G N -1.041 107.756 108.800 -0.005 0.000 2.533 362 G HA2 0.699 4.659 3.960 0.000 0.000 0.304 362 G HA3 0.699 4.659 3.960 0.000 0.000 0.304 362 G C -1.756 173.131 174.900 -0.021 0.000 1.263 362 G CA -0.547 44.539 45.100 -0.024 0.000 0.964 362 G HN 1.242 nan 8.290 nan 0.000 0.479 363 I N 1.598 122.150 120.570 -0.030 0.000 2.503 363 I HA 0.591 4.762 4.170 0.000 0.000 0.282 363 I C -0.516 175.585 176.117 -0.028 0.000 1.059 363 I CA -0.726 60.560 61.300 -0.024 0.000 1.081 363 I CB 1.597 39.584 38.000 -0.021 0.000 1.210 363 I HN 0.595 nan 8.210 nan 0.000 0.450 364 V N 3.950 123.851 119.914 -0.022 0.000 3.040 364 V HA 0.944 5.064 4.120 0.000 0.000 0.312 364 V C -1.225 174.861 176.094 -0.014 0.000 1.115 364 V CA -0.295 61.992 62.300 -0.022 0.000 0.998 364 V CB 1.969 33.778 31.823 -0.024 0.000 1.042 364 V HN 0.798 nan 8.190 nan 0.000 0.433 365 D N 1.107 121.500 120.400 -0.012 0.000 2.867 365 D HA 0.482 5.122 4.640 0.000 0.000 0.308 365 D C 0.963 177.262 176.300 -0.002 0.000 1.202 365 D CA 0.149 54.146 54.000 -0.005 0.000 1.035 365 D CB 0.939 41.737 40.800 -0.003 0.000 1.427 365 D HN 0.824 nan 8.370 nan 0.000 0.570 366 G N -1.193 107.609 108.800 0.004 0.000 2.679 366 G HA2 -0.046 3.914 3.960 0.000 0.000 0.212 366 G HA3 -0.046 3.914 3.960 0.000 0.000 0.212 366 G C 1.087 175.992 174.900 0.009 0.000 1.137 366 G CA 1.147 46.254 45.100 0.011 0.000 0.787 366 G HN 0.536 nan 8.290 nan 0.000 0.534 367 S N -0.767 114.934 115.700 0.002 0.000 2.483 367 S HA -0.015 4.455 4.470 0.000 0.000 0.221 367 S C 2.139 176.734 174.600 -0.009 0.000 1.030 367 S CA 1.221 59.420 58.200 -0.001 0.000 0.925 367 S CB -0.328 62.870 63.200 -0.003 0.000 0.795 367 S HN 0.123 nan 8.310 nan 0.000 0.511 368 T N 3.359 117.904 114.554 -0.015 0.000 2.620 368 T HA -0.209 4.141 4.350 0.000 0.000 0.267 368 T C 2.127 176.810 174.700 -0.028 0.000 1.044 368 T CA 2.149 64.233 62.100 -0.027 0.000 1.161 368 T CB -1.078 67.772 68.868 -0.030 0.000 0.862 368 T HN 0.689 nan 8.240 nan 0.000 0.438 369 A N 1.464 124.274 122.820 -0.017 0.000 1.877 369 A HA -0.149 4.171 4.320 0.000 0.000 0.216 369 A C 2.270 179.849 177.584 -0.008 0.000 1.186 369 A CA 1.892 53.922 52.037 -0.012 0.000 0.620 369 A CB -0.514 18.486 19.000 0.000 0.000 0.822 369 A HN 0.529 nan 8.150 nan 0.000 0.443 370 K N -0.907 119.490 120.400 -0.004 0.000 2.103 370 K HA -0.105 4.215 4.320 0.000 0.000 0.207 370 K C 2.087 178.683 176.600 -0.007 0.000 1.048 370 K CA 1.694 57.980 56.287 -0.002 0.000 0.930 370 K CB -0.412 32.089 32.500 0.002 0.000 0.716 370 K HN 0.474 nan 8.250 nan 0.000 0.444 371 T N 1.871 116.416 114.554 -0.015 0.000 2.684 371 T HA -0.122 4.228 4.350 0.000 0.000 0.267 371 T C 1.809 176.494 174.700 -0.026 0.000 1.036 371 T CA 1.113 63.200 62.100 -0.021 0.000 1.148 371 T CB -0.165 68.685 68.868 -0.031 0.000 0.863 371 T HN 0.117 nan 8.240 nan 0.000 0.436 372 L N 0.316 121.518 121.223 -0.034 0.000 2.027 372 L HA -0.100 4.240 4.340 0.000 0.000 0.206 372 L C 2.679 179.546 176.870 -0.006 0.000 1.074 372 L CA 1.462 56.279 54.840 -0.038 0.000 0.745 372 L CB -0.440 41.583 42.059 -0.060 0.000 0.898 372 L HN 0.221 nan 8.230 nan 0.000 0.433 373 K N 0.265 120.667 120.400 0.003 0.000 2.063 373 K HA -0.085 4.235 4.320 0.000 0.000 0.208 373 K C 1.219 177.825 176.600 0.011 0.000 1.048 373 K CA 0.940 57.235 56.287 0.014 0.000 0.928 373 K CB -0.302 32.207 32.500 0.013 0.000 0.713 373 K HN 0.288 nan 8.250 nan 0.000 0.442 377 E N 0.940 121.180 120.200 0.067 0.000 2.242 377 E HA 0.407 4.757 4.350 0.000 0.000 0.275 377 E C -1.386 175.287 176.600 0.121 0.000 1.002 377 E CA -0.540 55.937 56.400 0.130 0.000 0.841 377 E CB 2.390 32.161 29.700 0.118 0.000 1.109 377 E HN 0.126 nan 8.360 nan 0.000 0.394 378 D N 2.514 123.021 120.400 0.179 0.000 2.392 378 D HA 0.236 4.876 4.640 0.000 0.000 0.228 378 D C -1.923 174.502 176.300 0.209 0.000 1.074 378 D CA -2.466 51.615 54.000 0.136 0.000 0.838 378 D CB 1.508 42.359 40.800 0.085 0.000 1.067 378 D HN -0.081 nan 8.370 nan 0.000 0.511 379 P HA -0.183 nan 4.420 nan 0.000 0.216 379 P C 1.629 179.012 177.300 0.139 0.000 1.154 379 P CA 2.148 65.324 63.100 0.126 0.000 0.865 379 P CB -0.138 31.593 31.700 0.051 0.000 0.789 380 Y N -0.382 119.972 120.300 0.091 0.000 2.293 380 Y HA -0.187 4.363 4.550 0.000 0.000 0.291 380 Y C 2.598 178.535 175.900 0.060 0.000 1.137 380 Y CA 1.838 59.977 58.100 0.065 0.000 1.202 380 Y CB -1.643 36.840 38.460 0.039 0.000 0.990 380 Y HN -0.012 nan 8.280 nan 0.000 0.537 381 Q N -1.128 118.706 119.800 0.057 0.000 2.079 381 Q HA -0.089 4.251 4.340 0.000 0.000 0.200 381 Q C 1.820 177.787 176.000 -0.056 0.000 0.974 381 Q CA 2.024 57.816 55.803 -0.019 0.000 0.840 381 Q CB -0.714 27.980 28.738 -0.073 0.000 0.898 381 Q HN 0.845 nan 8.270 nan 0.000 0.430 382 Y N -0.985 119.322 120.300 0.012 0.000 2.242 382 Y HA -0.175 4.375 4.550 0.000 0.000 0.291 382 Y C 1.832 177.743 175.900 0.018 0.000 1.137 382 Y CA 0.854 58.965 58.100 0.017 0.000 1.181 382 Y CB -0.110 38.360 38.460 0.017 0.000 0.989 382 Y HN 0.159 nan 8.280 nan 0.000 0.527 383 L N 0.676 121.994 121.223 0.159 0.000 2.005 383 L HA -0.167 4.173 4.340 0.000 0.000 0.207 383 L C 2.384 179.286 176.870 0.053 0.000 1.072 383 L CA 1.819 56.715 54.840 0.092 0.000 0.744 383 L CB -0.790 41.312 42.059 0.072 0.000 0.895 383 L HN 0.082 nan 8.230 nan 0.000 0.433 384 K N -0.725 119.695 120.400 0.033 0.000 2.113 384 K HA -0.260 4.060 4.320 0.000 0.000 0.208 384 K C 1.664 178.266 176.600 0.003 0.000 1.047 384 K CA 1.849 58.142 56.287 0.011 0.000 0.928 384 K CB -0.191 32.308 32.500 -0.002 0.000 0.716 384 K HN 0.303 nan 8.250 nan 0.000 0.446 385 N N 0.799 119.495 118.700 -0.007 0.000 2.398 385 N HA -0.023 4.717 4.740 0.000 0.000 0.188 385 N C -0.874 174.643 175.510 0.012 0.000 1.122 385 N CA 0.363 53.402 53.050 -0.018 0.000 0.866 385 N CB -0.119 38.325 38.487 -0.072 0.000 0.970 385 N HN 0.260 nan 8.380 nan 0.000 0.462 386 N N -0.053 118.668 118.700 0.036 0.000 2.740 386 N HA -0.211 4.529 4.740 0.000 0.000 0.248 386 N C -1.161 174.397 175.510 0.079 0.000 1.062 386 N CA 0.784 53.864 53.050 0.051 0.000 0.704 386 N CB -0.987 37.519 38.487 0.032 0.000 0.968 386 N HN 0.264 nan 8.380 nan 0.000 0.547 387 D N -0.814 119.659 120.400 0.122 0.000 2.892 387 D HA 0.239 4.880 4.640 0.000 0.000 0.291 387 D C 0.960 177.418 176.300 0.262 0.000 1.341 387 D CA 0.211 54.329 54.000 0.196 0.000 0.844 387 D CB 0.062 40.987 40.800 0.208 0.000 1.093 387 D HN 0.297 nan 8.370 nan 0.000 0.480 388 S N -0.564 115.242 115.700 0.177 0.000 2.370 388 S HA -0.279 4.191 4.470 0.000 0.000 0.226 388 S C 2.036 176.697 174.600 0.101 0.000 1.033 388 S CA 0.634 58.908 58.200 0.123 0.000 1.011 388 S CB -0.773 62.478 63.200 0.085 0.000 0.852 388 S HN 0.512 nan 8.310 nan 0.000 0.457 389 Y N 3.624 123.946 120.300 0.036 0.000 2.069 389 Y HA -0.272 4.278 4.550 0.000 0.000 0.278 389 Y C 2.233 178.131 175.900 -0.003 0.000 1.175 389 Y CA 2.199 60.308 58.100 0.016 0.000 1.134 389 Y CB -0.637 37.838 38.460 0.026 0.000 0.965 389 Y HN 0.199 nan 8.280 nan 0.000 0.498 390 N N 0.188 119.000 118.700 0.187 0.000 2.188 390 N HA -0.134 4.606 4.740 0.000 0.000 0.184 390 N C 1.929 177.304 175.510 -0.224 0.000 1.018 390 N CA 1.276 54.366 53.050 0.067 0.000 0.858 390 N CB -0.703 37.941 38.487 0.263 0.000 0.989 390 N HN 0.543 nan 8.380 nan 0.000 0.426 391 A N 1.112 123.718 122.820 -0.356 0.000 1.902 391 A HA -0.038 4.282 4.320 0.000 0.000 0.217 391 A C 2.318 179.712 177.584 -0.317 0.000 1.181 391 A CA 0.904 52.596 52.037 -0.576 0.000 0.623 391 A CB -0.596 18.131 19.000 -0.455 0.000 0.818 391 A HN 0.209 nan 8.150 nan 0.000 0.443 392 L N -0.924 120.158 121.223 -0.235 0.000 2.131 392 L HA -0.099 4.242 4.340 0.000 0.000 0.206 392 L C 2.545 179.276 176.870 -0.232 0.000 1.087 392 L CA 1.578 56.295 54.840 -0.204 0.000 0.767 392 L CB -0.442 41.509 42.059 -0.181 0.000 0.917 392 L HN 0.419 nan 8.230 nan 0.000 0.441 393 K N 1.047 121.262 120.400 -0.308 0.000 2.063 393 K HA -0.202 4.118 4.320 0.000 0.000 0.208 393 K C 2.086 178.587 176.600 -0.165 0.000 1.048 393 K CA 1.498 57.624 56.287 -0.268 0.000 0.928 393 K CB 0.072 32.389 32.500 -0.306 0.000 0.713 393 K HN 0.167 nan 8.250 nan 0.000 0.442 394 K N 0.027 120.326 120.400 -0.168 0.000 2.211 394 K HA -0.061 4.259 4.320 0.000 0.000 0.203 394 K C 1.647 178.180 176.600 -0.111 0.000 1.050 394 K CA 1.489 57.699 56.287 -0.129 0.000 0.945 394 K CB 0.110 32.513 32.500 -0.162 0.000 0.732 394 K HN 0.235 nan 8.250 nan 0.000 0.451 395 S N -1.017 114.607 115.700 -0.127 0.000 2.568 395 S HA 0.196 4.666 4.470 0.000 0.000 0.232 395 S C 0.968 175.519 174.600 -0.081 0.000 0.975 395 S CA 0.008 58.151 58.200 -0.096 0.000 0.949 395 S CB 0.743 63.881 63.200 -0.103 0.000 0.829 395 S HN 0.325 nan 8.310 nan 0.000 0.479 396 G N 0.846 109.593 108.800 -0.089 0.000 2.273 396 G HA2 -0.110 3.850 3.960 0.000 0.000 0.280 396 G HA3 -0.110 3.850 3.960 0.000 0.000 0.280 396 G C 0.465 175.322 174.900 -0.073 0.000 1.047 396 G CA 0.024 45.080 45.100 -0.074 0.000 0.869 396 G HN 1.447 nan 8.290 nan 0.000 0.502 397 A N -0.513 122.251 122.820 -0.093 0.000 2.606 397 A HA 0.682 5.002 4.320 0.000 0.000 0.290 397 A C 0.766 178.295 177.584 -0.092 0.000 1.174 397 A CA -0.227 51.762 52.037 -0.080 0.000 0.958 397 A CB 0.404 19.358 19.000 -0.076 0.000 1.194 397 A HN 0.522 nan 8.150 nan 0.000 0.526 398 L N 0.575 121.728 121.223 -0.116 0.000 2.349 398 L HA 0.366 4.706 4.340 0.000 0.000 0.275 398 L C -0.282 176.551 176.870 -0.062 0.000 1.115 398 L CA -0.658 54.111 54.840 -0.119 0.000 0.820 398 L CB 1.531 43.476 42.059 -0.190 0.000 1.135 398 L HN 0.384 nan 8.230 nan 0.000 0.445 399 L N 5.523 126.725 121.223 -0.034 0.000 2.257 399 L HA 0.409 4.749 4.340 0.000 0.000 0.290 399 L C -0.542 176.333 176.870 0.009 0.000 1.044 399 L CA 0.075 54.910 54.840 -0.010 0.000 0.810 399 L CB 0.510 42.569 42.059 -0.000 0.000 1.193 399 L HN 0.302 nan 8.230 nan 0.000 0.425 400 I N 5.321 125.898 120.570 0.011 0.000 2.328 400 I HA 0.243 4.413 4.170 0.000 0.000 0.287 400 I C 1.125 177.261 176.117 0.030 0.000 1.012 400 I CA -0.142 61.174 61.300 0.027 0.000 1.195 400 I CB 0.880 38.893 38.000 0.022 0.000 1.350 400 I HN 0.771 nan 8.210 nan 0.000 0.464 401 T N 1.439 116.017 114.554 0.040 0.000 2.990 401 T HA 0.393 4.743 4.350 0.000 0.000 0.249 401 T C 0.891 175.619 174.700 0.047 0.000 1.039 401 T CA 0.368 62.498 62.100 0.049 0.000 1.036 401 T CB 0.545 69.452 68.868 0.064 0.000 0.994 401 T HN 0.987 nan 8.240 nan 0.000 0.489 402 G N 2.510 111.332 108.800 0.037 0.000 2.746 402 G HA2 0.024 3.984 3.960 0.000 0.000 0.685 402 G HA3 0.024 3.984 3.960 0.000 0.000 0.685 402 G C -2.994 171.914 174.900 0.013 0.000 1.350 402 G CA -0.671 44.442 45.100 0.021 0.000 0.837 402 G HN 0.443 nan 8.290 nan 0.000 0.564 403 P HA 0.350 nan 4.420 nan 0.000 0.267 403 P C 0.978 178.239 177.300 -0.065 0.000 1.205 403 P CA 1.219 64.297 63.100 -0.038 0.000 0.765 403 P CB 0.600 32.257 31.700 -0.072 0.000 0.828 404 T N 0.940 115.456 114.554 -0.063 0.000 3.014 404 T HA 0.190 4.540 4.350 0.000 0.000 0.263 404 T C 1.432 175.893 174.700 -0.398 0.000 1.078 404 T CA 1.219 63.238 62.100 -0.136 0.000 1.135 404 T CB -0.645 68.257 68.868 0.057 0.000 0.895 404 T HN 0.575 nan 8.240 nan 0.000 0.480 405 G N 0.009 108.673 108.800 -0.227 0.000 2.162 405 G HA2 -0.124 3.836 3.960 0.000 0.000 0.260 405 G HA3 -0.124 3.836 3.960 0.000 0.000 0.260 405 G C 0.371 175.191 174.900 -0.132 0.000 0.976 405 G CA 1.026 46.004 45.100 -0.203 0.000 0.655 405 G HN 1.094 nan 8.290 nan 0.000 0.533 406 T N -1.030 113.479 114.554 -0.074 0.000 2.883 406 T HA 0.632 4.982 4.350 0.000 0.000 0.296 406 T C -1.516 173.202 174.700 0.029 0.000 1.117 406 T CA -0.011 62.095 62.100 0.009 0.000 1.006 406 T CB 1.787 70.713 68.868 0.097 0.000 1.191 406 T HN 0.551 nan 8.240 nan 0.000 0.508 407 N N 1.620 120.338 118.700 0.029 0.000 2.571 407 N HA 0.349 5.089 4.740 0.000 0.000 0.286 407 N C -0.631 174.892 175.510 0.023 0.000 1.138 407 N CA -0.477 52.590 53.050 0.028 0.000 0.859 407 N CB 1.374 39.870 38.487 0.016 0.000 1.414 407 N HN 0.515 nan 8.380 nan 0.000 0.529 408 V N 0.514 120.446 119.914 0.031 0.000 2.838 408 V HA 0.566 4.686 4.120 0.000 0.000 0.363 408 V C 0.431 176.536 176.094 0.019 0.000 1.324 408 V CA -0.254 62.058 62.300 0.020 0.000 1.220 408 V CB -1.427 30.410 31.823 0.023 0.000 1.328 408 V HN 0.751 nan 8.190 nan 0.000 0.595 409 N N 0.763 119.475 118.700 0.021 0.000 1.259 409 N HA -0.212 4.528 4.740 0.000 0.000 0.146 409 N C -0.660 174.866 175.510 0.026 0.000 0.871 409 N CA 1.743 54.806 53.050 0.021 0.000 0.962 409 N CB -1.000 37.495 38.487 0.014 0.000 1.203 409 N HN 0.679 nan 8.380 nan 0.000 0.552 410 D N 0.543 120.958 120.400 0.025 0.000 2.248 410 D HA 0.569 5.209 4.640 0.000 0.000 0.246 410 D C -0.965 175.357 176.300 0.036 0.000 1.027 410 D CA -0.361 53.657 54.000 0.030 0.000 0.853 410 D CB 1.807 42.623 40.800 0.026 0.000 1.243 410 D HN 0.394 nan 8.370 nan 0.000 0.462 411 L N 1.970 123.215 121.223 0.037 0.000 2.341 411 L HA 0.558 4.899 4.340 0.000 0.000 0.278 411 L C -1.510 175.393 176.870 0.055 0.000 1.005 411 L CA -0.453 54.412 54.840 0.042 0.000 0.818 411 L CB 1.239 43.313 42.059 0.025 0.000 1.259 411 L HN 0.258 nan 8.230 nan 0.000 0.418 412 I N 5.774 126.402 120.570 0.098 0.000 2.498 412 I HA 0.590 4.760 4.170 0.000 0.000 0.290 412 I C -0.678 175.543 176.117 0.173 0.000 1.032 412 I CA -0.284 61.085 61.300 0.116 0.000 1.073 412 I CB 2.121 40.185 38.000 0.106 0.000 1.251 412 I HN 0.309 nan 8.210 nan 0.000 0.426 413 I N 3.372 124.004 120.570 0.103 0.000 2.499 413 I HA 0.816 4.987 4.170 0.000 0.000 0.288 413 I C 0.292 176.441 176.117 0.053 0.000 1.048 413 I CA -0.605 60.728 61.300 0.056 0.000 1.062 413 I CB 1.596 39.581 38.000 -0.026 0.000 1.238 413 I HN 0.790 nan 8.210 nan 0.000 0.426 414 G N 5.514 114.358 108.800 0.072 0.000 2.557 414 G HA2 0.736 4.696 3.960 0.000 0.000 0.310 414 G HA3 0.736 4.696 3.960 0.000 0.000 0.310 414 G C -1.090 173.795 174.900 -0.025 0.000 1.328 414 G CA -0.383 44.748 45.100 0.052 0.000 0.945 414 G HN 0.629 nan 8.290 nan 0.000 0.494 415 L N 2.347 123.542 121.223 -0.047 0.000 2.329 415 L HA 0.620 4.961 4.340 0.000 0.000 0.279 415 L C -0.845 176.042 176.870 0.027 0.000 1.014 415 L CA -0.927 53.874 54.840 -0.065 0.000 0.814 415 L CB 2.044 44.034 42.059 -0.115 0.000 1.257 415 L HN 0.321 nan 8.230 nan 0.000 0.424 416 I N 3.657 124.272 120.570 0.077 0.000 2.533 416 I HA 0.615 4.786 4.170 0.000 0.000 0.290 416 I C -0.045 176.123 176.117 0.086 0.000 1.056 416 I CA -0.576 60.753 61.300 0.048 0.000 1.057 416 I CB 2.026 40.028 38.000 0.002 0.000 1.240 416 I HN 0.344 nan 8.210 nan 0.000 0.423 417 V N 0.000 119.939 119.914 0.042 0.000 2.409 417 V HA 0.000 4.120 4.120 0.000 0.000 0.244 417 V CA 0.000 62.315 62.300 0.024 0.000 1.235 417 V CB 0.000 31.845 31.823 0.036 0.000 1.184 417 V HN 0.000 nan 8.190 nan 0.000 0.556