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 3c1h_1_A DATA FIRST_RESID 3 DATA SEQUENCE AVADKADNAF MMICTALVLF MTIPGIALFY GGLIRGKNVL SMLTQVTVTF DATA SEQUENCE ALVCILWVVY GYSLAFGEGN NFFGNINWLM LKNIELTAVM GSIYQYIHVA DATA SEQUENCE FQGSAACITV GLIVGALAER IRFSAVLIFV VVWLTLSYIP IAHMVWGGGL DATA SEQUENCE LASHGALDFA GGTVVHINAA IAGLVGAYLX XXXXXXXXXX XXPHNLPMVF DATA SEQUENCE TGTAILYIGW FGFNAGSAGT ANEIAALAFV NTVVATAAAI LGWIFGEWAL DATA SEQUENCE RGKPSLLGAC SGAIAGLVGV TPACGYIGVG GALIIGVVAG LAGLWGVTMX DATA SEQUENCE XXXXXXXDPC DVFGVHGVCG IVGCIMTGIF AASSLGGVGF AEGVTMGHQL DATA SEQUENCE LVQLESIAIT IVWSGVVAFI GYKLADLTVG LRVP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.568 177.584 -0.027 0.000 1.274 3 A CA 0.000 52.035 52.037 -0.004 0.000 0.836 3 A CB 0.000 19.005 19.000 0.009 0.000 0.831 4 V N 2.551 122.434 119.914 -0.052 0.000 2.540 4 V HA 0.821 4.942 4.120 0.000 0.000 0.302 4 V C 0.515 176.516 176.094 -0.156 0.000 1.035 4 V CA 0.087 62.336 62.300 -0.084 0.000 0.873 4 V CB 1.553 33.345 31.823 -0.052 0.000 0.992 4 V HN 2.144 nan 8.190 nan 0.000 0.428 5 A N 4.786 127.434 122.820 -0.288 0.000 2.454 5 A HA 0.388 4.708 4.320 0.000 0.000 0.260 5 A C 0.002 177.432 177.584 -0.256 0.000 1.106 5 A CA -0.096 51.676 52.037 -0.441 0.000 0.780 5 A CB 0.123 18.456 19.000 -1.113 0.000 1.044 5 A HN 0.889 nan 8.150 nan 0.000 0.498 6 D N 2.173 122.459 120.400 -0.190 0.000 2.280 6 D HA 0.202 4.842 4.640 0.000 0.000 0.243 6 D C 0.828 177.070 176.300 -0.098 0.000 1.129 6 D CA -0.133 53.800 54.000 -0.113 0.000 0.848 6 D CB 1.072 41.820 40.800 -0.086 0.000 1.107 6 D HN 0.524 nan 8.370 nan 0.000 0.471 7 K N 2.281 122.647 120.400 -0.057 0.000 2.148 7 K HA -0.064 4.256 4.320 0.000 0.000 0.204 7 K C 1.804 178.398 176.600 -0.009 0.000 1.050 7 K CA 1.011 57.287 56.287 -0.018 0.000 0.942 7 K CB 0.147 32.648 32.500 0.002 0.000 0.724 7 K HN 0.451 nan 8.250 nan 0.000 0.446 8 A N 1.779 124.585 122.820 -0.022 0.000 1.902 8 A HA -0.211 4.109 4.320 0.000 0.000 0.217 8 A C 1.498 179.089 177.584 0.011 0.000 1.181 8 A CA 1.940 53.966 52.037 -0.017 0.000 0.623 8 A CB -0.365 18.605 19.000 -0.050 0.000 0.818 8 A HN 0.166 nan 8.150 nan 0.000 0.443 9 D N 0.081 120.475 120.400 -0.011 0.000 2.123 9 D HA -0.109 4.531 4.640 0.000 0.000 0.200 9 D C 1.661 177.969 176.300 0.013 0.000 0.976 9 D CA 1.081 55.092 54.000 0.018 0.000 0.831 9 D CB -0.462 40.315 40.800 -0.039 0.000 0.974 9 D HN 0.347 nan 8.370 nan 0.000 0.469 10 N N 1.263 119.947 118.700 -0.027 0.000 2.036 10 N HA -0.171 4.569 4.740 0.000 0.000 0.195 10 N C 1.791 177.314 175.510 0.021 0.000 1.037 10 N CA 1.622 54.667 53.050 -0.009 0.000 0.855 10 N CB -0.608 37.904 38.487 0.042 0.000 1.033 10 N HN 0.153 nan 8.380 nan 0.000 0.423 11 A N 0.774 123.622 122.820 0.046 0.000 1.865 11 A HA -0.163 4.158 4.320 0.000 0.000 0.217 11 A C 2.186 179.827 177.584 0.095 0.000 1.191 11 A CA 1.341 53.414 52.037 0.060 0.000 0.623 11 A CB -1.126 17.910 19.000 0.060 0.000 0.826 11 A HN 0.282 nan 8.150 nan 0.000 0.444 12 F N 0.121 120.044 119.950 -0.045 0.000 2.095 12 F HA -0.197 4.330 4.527 0.000 0.000 0.298 12 F C 2.206 177.976 175.800 -0.049 0.000 1.104 12 F CA 2.017 59.994 58.000 -0.039 0.000 1.232 12 F CB -0.229 38.741 39.000 -0.050 0.000 0.987 12 F HN 0.108 nan 8.300 nan 0.000 0.475 13 M N -0.768 118.754 119.600 -0.130 0.000 2.349 13 M HA -0.118 4.363 4.480 0.000 0.000 0.266 13 M C 2.215 178.411 176.300 -0.174 0.000 1.076 13 M CA 1.194 56.308 55.300 -0.309 0.000 1.126 13 M CB -1.133 31.280 32.600 -0.312 0.000 1.392 13 M HN 0.285 nan 8.290 nan 0.000 0.440 14 M N -0.446 119.103 119.600 -0.086 0.000 2.200 14 M HA -0.136 4.344 4.480 0.000 0.000 0.265 14 M C 1.812 178.090 176.300 -0.036 0.000 1.066 14 M CA 1.006 56.284 55.300 -0.037 0.000 1.127 14 M CB -0.135 32.458 32.600 -0.011 0.000 1.379 14 M HN 0.098 nan 8.290 nan 0.000 0.420 15 I N -0.322 120.218 120.570 -0.051 0.000 2.315 15 I HA -0.242 3.928 4.170 0.000 0.000 0.248 15 I C 2.472 178.554 176.117 -0.059 0.000 1.117 15 I CA 1.137 62.413 61.300 -0.040 0.000 1.404 15 I CB -1.572 36.423 38.000 -0.007 0.000 1.071 15 I HN 0.374 nan 8.210 nan 0.000 0.419 16 C N 0.647 119.853 119.300 -0.156 0.000 2.429 16 C HA -0.155 4.305 4.460 0.000 0.000 0.277 16 C C 2.989 178.022 174.990 0.071 0.000 1.262 16 C CA 1.452 60.412 59.018 -0.097 0.000 1.733 16 C CB -1.120 26.443 27.740 -0.295 0.000 2.010 16 C HN 0.519 nan 8.230 nan 0.000 0.483 17 T N 1.139 115.750 114.554 0.095 0.000 2.746 17 T HA -0.127 4.223 4.350 0.000 0.000 0.267 17 T C 2.138 176.834 174.700 -0.006 0.000 1.039 17 T CA 1.631 63.767 62.100 0.059 0.000 1.142 17 T CB -0.465 68.440 68.868 0.062 0.000 0.866 17 T HN 0.642 nan 8.240 nan 0.000 0.444 18 A N 1.377 124.200 122.820 0.004 0.000 1.892 18 A HA -0.059 4.261 4.320 0.000 0.000 0.218 18 A C 2.321 179.928 177.584 0.040 0.000 1.188 18 A CA 1.394 53.432 52.037 0.002 0.000 0.631 18 A CB -0.968 18.016 19.000 -0.025 0.000 0.822 18 A HN 0.482 nan 8.150 nan 0.000 0.447 19 L N -0.585 120.675 121.223 0.062 0.000 2.083 19 L HA -0.166 4.174 4.340 0.000 0.000 0.209 19 L C 2.518 179.480 176.870 0.153 0.000 1.083 19 L CA 1.096 56.033 54.840 0.161 0.000 0.752 19 L CB -0.473 41.684 42.059 0.163 0.000 0.899 19 L HN 0.280 nan 8.230 nan 0.000 0.433 20 V N -0.229 119.699 119.914 0.024 0.000 2.323 20 V HA -0.258 3.862 4.120 0.000 0.000 0.244 20 V C 2.407 178.471 176.094 -0.050 0.000 1.041 20 V CA 1.312 63.557 62.300 -0.091 0.000 1.025 20 V CB -0.392 31.195 31.823 -0.393 0.000 0.656 20 V HN 0.331 nan 8.190 nan 0.000 0.451 21 L N -0.905 120.309 121.223 -0.014 0.000 2.089 21 L HA -0.263 4.077 4.340 0.000 0.000 0.213 21 L C 2.449 179.371 176.870 0.087 0.000 1.079 21 L CA 1.931 56.810 54.840 0.066 0.000 0.758 21 L CB -0.663 41.452 42.059 0.093 0.000 0.891 21 L HN 0.368 nan 8.230 nan 0.000 0.433 22 F N 0.541 120.456 119.950 -0.059 0.000 2.234 22 F HA -0.175 4.352 4.527 0.000 0.000 0.299 22 F C 2.429 178.193 175.800 -0.060 0.000 1.087 22 F CA 1.178 59.145 58.000 -0.054 0.000 1.340 22 F CB -0.357 38.635 39.000 -0.014 0.000 1.031 22 F HN -0.001 nan 8.300 nan 0.000 0.500 23 M N -0.897 118.677 119.600 -0.044 0.000 2.149 23 M HA -0.221 4.259 4.480 0.000 0.000 0.261 23 M C 1.840 178.049 176.300 -0.152 0.000 1.064 23 M CA 2.197 57.407 55.300 -0.150 0.000 1.102 23 M CB -0.867 31.660 32.600 -0.122 0.000 1.369 23 M HN 0.029 nan 8.290 nan 0.000 0.408 24 T N 0.265 114.745 114.554 -0.123 0.000 2.866 24 T HA 0.149 4.499 4.350 0.000 0.000 0.250 24 T C 0.880 175.450 174.700 -0.216 0.000 1.033 24 T CA 0.589 62.602 62.100 -0.144 0.000 1.145 24 T CB 0.287 69.087 68.868 -0.113 0.000 0.866 24 T HN 0.052 nan 8.240 nan 0.000 0.434 25 I N 3.492 123.895 120.570 -0.277 0.000 2.337 25 I HA 0.273 4.443 4.170 0.000 0.000 0.285 25 I C -2.108 173.990 176.117 -0.031 0.000 1.041 25 I CA -2.692 58.457 61.300 -0.252 0.000 1.199 25 I CB 1.025 38.741 38.000 -0.473 0.000 1.370 25 I HN 0.073 nan 8.210 nan 0.000 0.470 26 P HA 0.176 nan 4.420 nan 0.000 0.282 26 P C 1.283 178.506 177.300 -0.128 0.000 1.373 26 P CA 0.110 63.156 63.100 -0.090 0.000 1.001 26 P CB 0.931 32.614 31.700 -0.028 0.000 1.489 27 G N 1.931 110.593 108.800 -0.230 0.000 2.672 27 G HA2 -0.316 3.644 3.960 0.000 0.000 0.218 27 G HA3 -0.316 3.644 3.960 0.000 0.000 0.218 27 G C 1.316 176.169 174.900 -0.078 0.000 1.238 27 G CA 1.039 46.011 45.100 -0.213 0.000 0.791 27 G HN 0.281 nan 8.290 nan 0.000 0.606 28 I N 1.665 122.194 120.570 -0.067 0.000 2.361 28 I HA 0.026 4.196 4.170 0.000 0.000 0.251 28 I C 2.980 179.186 176.117 0.147 0.000 1.133 28 I CA 1.336 62.638 61.300 0.003 0.000 1.413 28 I CB -0.264 37.747 38.000 0.018 0.000 1.073 28 I HN 0.222 nan 8.210 nan 0.000 0.424 29 A N -0.009 122.864 122.820 0.088 0.000 1.898 29 A HA -0.121 4.199 4.320 0.000 0.000 0.216 29 A C 2.259 179.914 177.584 0.119 0.000 1.181 29 A CA 1.592 53.697 52.037 0.114 0.000 0.620 29 A CB -0.839 18.180 19.000 0.032 0.000 0.819 29 A HN 0.458 nan 8.150 nan 0.000 0.442 30 L N -2.262 119.000 121.223 0.066 0.000 2.179 30 L HA -0.056 4.284 4.340 0.000 0.000 0.208 30 L C 2.405 179.299 176.870 0.040 0.000 1.096 30 L CA 0.948 55.812 54.840 0.040 0.000 0.779 30 L CB -0.451 41.608 42.059 -0.001 0.000 0.922 30 L HN 0.503 nan 8.230 nan 0.000 0.443 31 F N 0.219 120.113 119.950 -0.094 0.000 2.069 31 F HA -0.306 4.221 4.527 0.000 0.000 0.298 31 F C 2.343 178.057 175.800 -0.144 0.000 1.113 31 F CA 1.786 59.687 58.000 -0.165 0.000 1.214 31 F CB -0.306 38.529 39.000 -0.274 0.000 0.978 31 F HN -0.066 nan 8.300 nan 0.000 0.474 32 Y N 0.404 120.829 120.300 0.208 0.000 2.293 32 Y HA 0.019 4.569 4.550 0.001 0.000 0.291 32 Y C 2.663 178.577 175.900 0.025 0.000 1.137 32 Y CA 0.996 59.158 58.100 0.103 0.000 1.202 32 Y CB -1.332 37.209 38.460 0.134 0.000 0.990 32 Y HN 0.146 nan 8.280 nan 0.000 0.537 33 G N -0.617 108.289 108.800 0.176 0.000 2.450 33 G HA2 -0.215 3.745 3.960 0.000 0.000 0.220 33 G HA3 -0.215 3.745 3.960 0.000 0.000 0.220 33 G C 1.960 176.930 174.900 0.116 0.000 1.130 33 G CA 1.024 46.210 45.100 0.143 0.000 0.760 33 G HN 0.517 nan 8.290 nan 0.000 0.557 34 G N -0.195 108.556 108.800 -0.081 0.000 2.744 34 G HA2 0.167 4.127 3.960 0.000 0.000 0.211 34 G HA3 0.167 4.127 3.960 0.000 0.000 0.211 34 G C 1.633 176.395 174.900 -0.229 0.000 1.146 34 G CA 0.020 44.935 45.100 -0.309 0.000 0.787 34 G HN 0.403 nan 8.290 nan 0.000 0.534 35 L N 0.566 121.729 121.223 -0.099 0.000 2.102 35 L HA 0.309 4.649 4.340 0.000 0.000 0.202 35 L C 1.625 178.559 176.870 0.108 0.000 1.076 35 L CA 0.142 54.961 54.840 -0.036 0.000 0.761 35 L CB -0.175 41.853 42.059 -0.051 0.000 0.921 35 L HN 0.296 nan 8.230 nan 0.000 0.444 36 I N -1.875 118.797 120.570 0.170 0.000 2.945 36 I HA 0.159 4.329 4.170 0.000 0.000 0.292 36 I C 0.775 176.975 176.117 0.138 0.000 1.093 36 I CA -0.642 60.740 61.300 0.135 0.000 1.336 36 I CB 0.468 38.524 38.000 0.093 0.000 1.435 36 I HN 0.014 nan 8.210 nan 0.000 0.593 37 R N 2.486 123.000 120.500 0.023 0.000 2.638 37 R HA 0.055 4.395 4.340 0.000 0.000 0.268 37 R C 1.351 177.509 176.300 -0.237 0.000 1.006 37 R CA 1.008 57.065 56.100 -0.073 0.000 1.088 37 R CB 0.687 30.955 30.300 -0.054 0.000 0.950 37 R HN 0.982 nan 8.270 nan 0.000 0.419 38 G N 3.822 112.352 108.800 -0.451 0.000 2.442 38 G HA2 -0.330 3.631 3.960 0.000 0.000 0.219 38 G HA3 -0.330 3.631 3.960 0.000 0.000 0.219 38 G C 1.008 175.754 174.900 -0.257 0.000 1.141 38 G CA 1.098 45.842 45.100 -0.592 0.000 0.763 38 G HN 0.803 nan 8.290 nan 0.000 0.554 39 K N -0.010 120.293 120.400 -0.162 0.000 2.442 39 K HA 0.013 4.334 4.320 0.000 0.000 0.198 39 K C 1.264 177.819 176.600 -0.076 0.000 1.044 39 K CA 1.222 57.453 56.287 -0.094 0.000 0.948 39 K CB -0.052 32.407 32.500 -0.068 0.000 0.762 39 K HN 0.158 nan 8.250 nan 0.000 0.472 40 N N 0.465 119.113 118.700 -0.087 0.000 2.220 40 N HA 0.034 4.775 4.740 0.000 0.000 0.195 40 N C 1.415 176.896 175.510 -0.049 0.000 1.123 40 N CA 0.177 53.190 53.050 -0.062 0.000 0.874 40 N CB 0.666 39.119 38.487 -0.056 0.000 0.995 40 N HN -0.010 nan 8.380 nan 0.000 0.498 41 V N 1.569 121.453 119.914 -0.050 0.000 2.307 41 V HA -0.136 3.984 4.120 0.000 0.000 0.245 41 V C 2.398 178.492 176.094 0.000 0.000 1.045 41 V CA 1.247 63.547 62.300 0.000 0.000 1.024 41 V CB -0.447 31.395 31.823 0.031 0.000 0.651 41 V HN 0.213 nan 8.190 nan 0.000 0.449 42 L N -0.164 121.054 121.223 -0.009 0.000 2.017 42 L HA -0.194 4.146 4.340 0.000 0.000 0.208 42 L C 2.763 179.624 176.870 -0.014 0.000 1.073 42 L CA 1.984 56.823 54.840 -0.001 0.000 0.745 42 L CB -0.851 41.210 42.059 0.003 0.000 0.894 42 L HN 0.387 nan 8.230 nan 0.000 0.432 43 S N -0.214 115.468 115.700 -0.030 0.000 2.359 43 S HA -0.271 4.199 4.470 0.000 0.000 0.223 43 S C 2.063 176.593 174.600 -0.117 0.000 1.039 43 S CA 1.779 59.942 58.200 -0.063 0.000 1.042 43 S CB -0.244 62.920 63.200 -0.061 0.000 0.915 43 S HN 0.318 nan 8.310 nan 0.000 0.439 44 M N 1.104 120.647 119.600 -0.095 0.000 2.080 44 M HA -0.095 4.386 4.480 0.000 0.000 0.260 44 M C 1.975 178.229 176.300 -0.077 0.000 1.068 44 M CA 1.678 56.915 55.300 -0.105 0.000 1.109 44 M CB -1.199 31.363 32.600 -0.063 0.000 1.342 44 M HN 0.420 nan 8.290 nan 0.000 0.405 45 L N -0.445 120.760 121.223 -0.030 0.000 2.042 45 L HA -0.244 4.096 4.340 0.000 0.000 0.210 45 L C 2.266 179.125 176.870 -0.019 0.000 1.076 45 L CA 1.883 56.718 54.840 -0.008 0.000 0.749 45 L CB -1.231 40.835 42.059 0.012 0.000 0.893 45 L HN 0.340 nan 8.230 nan 0.000 0.432 46 T N -1.195 113.340 114.554 -0.032 0.000 2.777 46 T HA -0.194 4.156 4.350 0.000 0.000 0.266 46 T C 1.880 176.539 174.700 -0.068 0.000 1.040 46 T CA 1.122 63.219 62.100 -0.004 0.000 1.141 46 T CB -0.159 68.733 68.868 0.041 0.000 0.868 46 T HN 0.394 nan 8.240 nan 0.000 0.444 47 Q N 0.325 119.961 119.800 -0.274 0.000 2.167 47 Q HA -0.029 4.311 4.340 0.000 0.000 0.202 47 Q C 2.567 178.496 176.000 -0.118 0.000 0.970 47 Q CA 0.920 56.473 55.803 -0.417 0.000 0.855 47 Q CB -0.339 28.051 28.738 -0.580 0.000 0.911 47 Q HN 0.356 nan 8.270 nan 0.000 0.438 48 V N 0.662 120.537 119.914 -0.065 0.000 2.307 48 V HA -0.235 3.885 4.120 0.000 0.000 0.245 48 V C 2.196 178.333 176.094 0.072 0.000 1.045 48 V CA 2.165 64.469 62.300 0.008 0.000 1.024 48 V CB -0.819 31.006 31.823 0.003 0.000 0.651 48 V HN 0.422 nan 8.190 nan 0.000 0.449 49 T N 0.144 114.731 114.554 0.055 0.000 2.652 49 T HA -0.188 4.162 4.350 0.000 0.000 0.267 49 T C 1.927 176.755 174.700 0.214 0.000 1.039 49 T CA 1.809 63.974 62.100 0.108 0.000 1.153 49 T CB -0.358 68.553 68.868 0.071 0.000 0.863 49 T HN 0.279 nan 8.240 nan 0.000 0.428 50 V N 2.201 122.238 119.914 0.204 0.000 2.427 50 V HA -0.157 3.963 4.120 0.000 0.000 0.248 50 V C 3.010 179.243 176.094 0.231 0.000 1.051 50 V CA 2.073 64.525 62.300 0.253 0.000 1.048 50 V CB -1.270 30.799 31.823 0.409 0.000 0.666 50 V HN 0.762 nan 8.190 nan 0.000 0.456 51 T N -2.078 112.606 114.554 0.217 0.000 2.985 51 T HA -0.147 4.203 4.350 0.000 0.000 0.266 51 T C 1.791 176.583 174.700 0.155 0.000 1.076 51 T CA 1.167 63.373 62.100 0.177 0.000 1.135 51 T CB -0.522 68.438 68.868 0.153 0.000 0.890 51 T HN 0.380 nan 8.240 nan 0.000 0.480 52 F N 3.083 123.050 119.950 0.028 0.000 2.069 52 F HA 0.060 4.587 4.527 0.000 0.000 0.298 52 F C 2.632 178.435 175.800 0.005 0.000 1.113 52 F CA 1.234 59.233 58.000 -0.002 0.000 1.214 52 F CB -0.983 38.014 39.000 -0.005 0.000 0.978 52 F HN 0.254 nan 8.300 nan 0.000 0.474 53 A N 0.713 123.584 122.820 0.084 0.000 1.903 53 A HA -0.247 4.073 4.320 0.000 0.000 0.219 53 A C 2.158 179.684 177.584 -0.097 0.000 1.191 53 A CA 2.076 54.086 52.037 -0.045 0.000 0.638 53 A CB -1.480 17.580 19.000 0.101 0.000 0.823 53 A HN 0.567 nan 8.150 nan 0.000 0.451 54 L N -0.171 121.045 121.223 -0.011 0.000 2.012 54 L HA -0.117 4.223 4.340 0.000 0.000 0.210 54 L C 2.425 179.266 176.870 -0.049 0.000 1.073 54 L CA 2.111 56.950 54.840 -0.001 0.000 0.748 54 L CB -0.701 41.393 42.059 0.059 0.000 0.891 54 L HN 0.154 nan 8.230 nan 0.000 0.431 55 V N -1.071 118.793 119.914 -0.084 0.000 2.343 55 V HA -0.349 3.771 4.120 0.000 0.000 0.247 55 V C 2.685 178.691 176.094 -0.146 0.000 1.051 55 V CA 1.794 64.031 62.300 -0.104 0.000 1.036 55 V CB -0.686 31.058 31.823 -0.131 0.000 0.654 55 V HN 0.667 nan 8.190 nan 0.000 0.451 56 C N -0.228 118.896 119.300 -0.293 0.000 2.401 56 C HA -0.193 4.267 4.460 0.000 0.000 0.276 56 C C 2.556 177.491 174.990 -0.091 0.000 1.233 56 C CA 0.803 59.661 59.018 -0.266 0.000 1.753 56 C CB -0.993 26.488 27.740 -0.432 0.000 2.029 56 C HN 0.474 nan 8.230 nan 0.000 0.478 57 I N 0.554 121.071 120.570 -0.088 0.000 2.277 57 I HA -0.090 4.080 4.170 0.000 0.000 0.243 57 I C 2.379 178.456 176.117 -0.068 0.000 1.094 57 I CA 1.609 62.878 61.300 -0.052 0.000 1.393 57 I CB -1.324 36.657 38.000 -0.032 0.000 1.078 57 I HN 0.357 nan 8.210 nan 0.000 0.417 58 L N -0.831 120.332 121.223 -0.100 0.000 2.131 58 L HA -0.243 4.097 4.340 0.000 0.000 0.210 58 L C 2.612 179.241 176.870 -0.401 0.000 1.092 58 L CA 1.354 56.009 54.840 -0.307 0.000 0.759 58 L CB -0.640 41.271 42.059 -0.248 0.000 0.903 58 L HN 0.436 nan 8.230 nan 0.000 0.435 59 W N 0.451 121.569 121.300 -0.304 0.000 2.353 59 W HA -0.255 4.405 4.660 -0.000 0.000 0.319 59 W C 2.539 178.989 176.519 -0.115 0.000 1.207 59 W CA 2.074 59.314 57.345 -0.176 0.000 1.291 59 W CB -0.275 29.120 29.460 -0.107 0.000 1.159 59 W HN 0.018 nan 8.180 nan 0.000 0.478 60 V N 0.780 120.704 119.914 0.016 0.000 2.287 60 V HA -0.294 3.826 4.120 0.000 0.000 0.248 60 V C 2.116 178.159 176.094 -0.085 0.000 1.053 60 V CA 2.283 64.542 62.300 -0.068 0.000 1.027 60 V CB -0.871 30.928 31.823 -0.041 0.000 0.646 60 V HN 0.066 nan 8.190 nan 0.000 0.447 61 V N 0.248 120.108 119.914 -0.089 0.000 2.261 61 V HA -0.207 3.914 4.120 0.000 0.000 0.246 61 V C 2.007 178.138 176.094 0.061 0.000 1.047 61 V CA 2.912 65.207 62.300 -0.009 0.000 1.015 61 V CB -0.617 31.230 31.823 0.040 0.000 0.642 61 V HN 0.960 nan 8.190 nan 0.000 0.446 62 Y N -2.725 117.565 120.300 -0.016 0.000 2.580 62 Y HA 0.517 5.067 4.550 0.001 0.000 0.290 62 Y C 1.750 177.590 175.900 -0.101 0.000 0.981 62 Y CA 0.287 58.366 58.100 -0.035 0.000 1.120 62 Y CB -0.611 37.831 38.460 -0.031 0.000 1.415 62 Y HN -0.033 nan 8.280 nan 0.000 0.588 63 G N 1.283 109.768 108.800 -0.524 0.000 2.453 63 G HA2 -0.345 3.615 3.960 0.000 0.000 0.215 63 G HA3 -0.345 3.615 3.960 0.000 0.000 0.215 63 G C 1.420 175.893 174.900 -0.713 0.000 1.201 63 G CA 1.547 46.382 45.100 -0.442 0.000 0.784 63 G HN 0.494 nan 8.290 nan 0.000 0.545 64 Y N 1.594 121.124 120.300 -1.283 0.000 2.128 64 Y HA -0.165 4.385 4.550 0.000 0.000 0.284 64 Y C 3.162 178.980 175.900 -0.137 0.000 1.154 64 Y CA 1.939 59.435 58.100 -1.008 0.000 1.149 64 Y CB -0.548 37.420 38.460 -0.820 0.000 0.976 64 Y HN 0.245 nan 8.280 nan 0.000 0.505 65 S N -0.236 115.456 115.700 -0.013 0.000 2.368 65 S HA -0.182 4.288 4.470 0.000 0.000 0.225 65 S C 2.089 176.627 174.600 -0.103 0.000 1.030 65 S CA 1.558 59.812 58.200 0.089 0.000 0.999 65 S CB -0.595 62.710 63.200 0.176 0.000 0.844 65 S HN 0.556 nan 8.310 nan 0.000 0.459 66 L N 0.455 121.630 121.223 -0.079 0.000 2.156 66 L HA -0.008 4.332 4.340 0.000 0.000 0.208 66 L C 2.736 179.514 176.870 -0.153 0.000 1.095 66 L CA 1.112 55.909 54.840 -0.071 0.000 0.770 66 L CB -0.508 41.570 42.059 0.031 0.000 0.914 66 L HN 0.438 nan 8.230 nan 0.000 0.439 67 A N -0.741 121.941 122.820 -0.231 0.000 1.878 67 A HA -0.070 4.251 4.320 0.000 0.000 0.213 67 A C 1.525 178.801 177.584 -0.514 0.000 1.192 67 A CA 1.150 52.970 52.037 -0.362 0.000 0.619 67 A CB -0.306 18.501 19.000 -0.323 0.000 0.837 67 A HN 0.369 nan 8.150 nan 0.000 0.446 68 F N -0.232 119.624 119.950 -0.156 0.000 2.706 68 F HA 0.334 4.861 4.527 0.001 0.000 0.313 68 F C 1.475 177.257 175.800 -0.030 0.000 1.096 68 F CA -0.461 57.471 58.000 -0.113 0.000 1.219 68 F CB 0.001 38.804 39.000 -0.328 0.000 1.051 68 F HN 0.202 nan 8.300 nan 0.000 0.568 69 G N 0.791 109.524 108.800 -0.112 0.000 2.544 69 G HA2 0.167 4.127 3.960 0.000 0.000 0.242 69 G HA3 0.167 4.127 3.960 0.000 0.000 0.242 69 G C -0.432 174.330 174.900 -0.230 0.000 1.247 69 G CA -0.357 44.423 45.100 -0.533 0.000 0.840 69 G HN 0.289 nan 8.290 nan 0.000 0.578 70 E N 0.419 120.444 120.200 -0.291 0.000 2.344 70 E HA 0.492 4.842 4.350 0.000 0.000 0.270 70 E C 0.791 177.304 176.600 -0.145 0.000 1.021 70 E CA 0.394 56.728 56.400 -0.109 0.000 0.887 70 E CB 0.461 30.107 29.700 -0.091 0.000 0.997 70 E HN 0.523 nan 8.360 nan 0.000 0.429 71 G N 3.852 112.598 108.800 -0.091 0.000 3.255 71 G HA2 0.144 4.104 3.960 0.000 0.000 0.161 71 G HA3 0.144 4.104 3.960 0.000 0.000 0.161 71 G C -0.654 174.124 174.900 -0.204 0.000 1.173 71 G CA -0.069 44.897 45.100 -0.223 0.000 1.106 71 G HN 0.675 nan 8.290 nan 0.000 0.650 72 N N -0.394 118.098 118.700 -0.346 0.000 2.867 72 N HA 0.250 4.990 4.740 0.000 0.000 0.326 72 N C 0.696 176.125 175.510 -0.136 0.000 1.355 72 N CA -0.576 52.330 53.050 -0.239 0.000 0.830 72 N CB 0.158 38.467 38.487 -0.298 0.000 1.152 72 N HN 0.198 nan 8.380 nan 0.000 0.569 73 N N -1.096 117.460 118.700 -0.238 0.000 2.381 73 N HA 0.005 4.745 4.740 0.000 0.000 0.182 73 N C 0.442 175.596 175.510 -0.594 0.000 1.025 73 N CA 1.062 53.808 53.050 -0.507 0.000 0.888 73 N CB -0.222 37.741 38.487 -0.872 0.000 0.965 73 N HN 0.445 nan 8.380 nan 0.000 0.438 74 F N -0.926 119.004 119.950 -0.033 0.000 2.557 74 F HA 0.238 4.766 4.527 0.002 0.000 0.278 74 F C 0.497 176.290 175.800 -0.013 0.000 1.051 74 F CA -0.410 57.600 58.000 0.018 0.000 1.357 74 F CB 0.095 39.209 39.000 0.189 0.000 1.104 74 F HN -0.179 nan 8.300 nan 0.000 0.654 75 F N -1.272 118.572 119.950 -0.176 0.000 2.626 75 F HA 0.848 5.375 4.527 0.000 0.000 0.311 75 F C 0.423 175.652 175.800 -0.951 0.000 1.088 75 F CA -1.670 55.980 58.000 -0.583 0.000 0.949 75 F CB 0.435 39.309 39.000 -0.210 0.000 1.322 75 F HN -0.021 nan 8.300 nan 0.000 0.461 76 G N 1.077 109.463 108.800 -0.690 0.000 3.107 76 G HA2 0.351 4.311 3.960 0.000 0.000 0.155 76 G HA3 0.351 4.311 3.960 0.000 0.000 0.155 76 G C -0.941 173.855 174.900 -0.173 0.000 1.875 76 G CA 0.236 45.066 45.100 -0.449 0.000 1.004 76 G HN 1.053 nan 8.290 nan 0.000 0.480 77 N N -1.938 116.665 118.700 -0.162 0.000 2.774 77 N HA 0.409 5.149 4.740 0.000 0.000 0.264 77 N C -0.458 174.994 175.510 -0.096 0.000 1.415 77 N CA -0.803 52.176 53.050 -0.117 0.000 0.815 77 N CB 1.205 39.558 38.487 -0.223 0.000 1.514 77 N HN 0.447 nan 8.380 nan 0.000 0.523 78 I N -2.851 117.682 120.570 -0.062 0.000 3.801 78 I HA 0.422 4.593 4.170 0.000 0.000 0.338 78 I C 0.046 176.148 176.117 -0.026 0.000 1.513 78 I CA -0.331 60.953 61.300 -0.026 0.000 1.197 78 I CB -0.870 37.117 38.000 -0.022 0.000 1.300 78 I HN 0.512 nan 8.210 nan 0.000 0.433 79 N N 0.382 119.015 118.700 -0.113 0.000 2.415 79 N HA -0.001 4.739 4.740 0.000 0.000 0.176 79 N C -0.019 175.545 175.510 0.089 0.000 1.042 79 N CA 0.323 53.315 53.050 -0.097 0.000 0.902 79 N CB 0.126 38.462 38.487 -0.252 0.000 0.986 79 N HN 0.441 nan 8.380 nan 0.000 0.447 80 W N 1.947 123.283 121.300 0.061 0.000 2.385 80 W HA 0.366 5.026 4.660 0.001 0.000 0.393 80 W C -0.458 176.097 176.519 0.061 0.000 0.720 80 W CA -1.116 56.278 57.345 0.080 0.000 2.575 80 W CB -1.206 28.338 29.460 0.140 0.000 1.693 80 W HN -0.040 nan 8.180 nan 0.000 0.767 81 L N 2.341 123.701 121.223 0.229 0.000 2.433 81 L HA 0.049 4.389 4.340 0.000 0.000 0.275 81 L C 1.138 178.082 176.870 0.123 0.000 1.128 81 L CA 0.560 55.494 54.840 0.156 0.000 0.875 81 L CB 0.232 42.361 42.059 0.116 0.000 1.171 81 L HN 0.069 nan 8.230 nan 0.000 0.463 82 M N 5.577 125.229 119.600 0.086 0.000 2.576 82 M HA -0.256 4.224 4.480 0.000 0.000 0.200 82 M C 0.549 176.865 176.300 0.027 0.000 0.487 82 M CA 0.646 55.970 55.300 0.040 0.000 0.553 82 M CB -1.649 30.977 32.600 0.045 0.000 2.042 82 M HN 0.757 nan 8.290 nan 0.000 0.758 83 L N -2.954 118.291 121.223 0.037 0.000 4.040 83 L HA -0.253 4.087 4.340 0.000 0.000 0.410 83 L C 0.661 177.557 176.870 0.045 0.000 1.187 83 L CA 0.908 55.730 54.840 -0.030 0.000 0.956 83 L CB -1.293 40.613 42.059 -0.255 0.000 2.022 83 L HN 0.391 nan 8.230 nan 0.000 0.897 84 K N 1.085 121.567 120.400 0.137 0.000 2.118 84 K HA 0.413 4.733 4.320 0.000 0.000 0.264 84 K C 1.155 177.896 176.600 0.235 0.000 1.000 84 K CA 0.053 56.429 56.287 0.148 0.000 0.929 84 K CB 0.546 33.120 32.500 0.123 0.000 1.021 84 K HN 0.206 nan 8.250 nan 0.000 0.463 85 N N 0.664 119.474 118.700 0.183 0.000 2.753 85 N HA -0.237 4.504 4.740 0.000 0.000 0.251 85 N C -0.903 174.696 175.510 0.149 0.000 1.097 85 N CA 1.027 54.207 53.050 0.217 0.000 0.786 85 N CB -1.316 37.361 38.487 0.315 0.000 1.137 85 N HN 0.505 nan 8.380 nan 0.000 0.566 86 I N 1.495 122.060 120.570 -0.009 0.000 2.337 86 I HA 0.122 4.292 4.170 0.000 0.000 0.285 86 I C 0.810 176.948 176.117 0.035 0.000 1.041 86 I CA -0.373 60.857 61.300 -0.117 0.000 1.199 86 I CB 0.756 38.581 38.000 -0.292 0.000 1.370 86 I HN -0.100 nan 8.210 nan 0.000 0.470 87 E N 3.252 123.465 120.200 0.022 0.000 2.418 87 E HA -0.057 4.293 4.350 0.000 0.000 0.261 87 E C 0.836 177.390 176.600 -0.077 0.000 1.070 87 E CA -0.287 56.109 56.400 -0.006 0.000 0.931 87 E CB 1.268 30.972 29.700 0.007 0.000 0.954 87 E HN 0.447 nan 8.360 nan 0.000 0.439 88 L N 3.174 124.280 121.223 -0.196 0.000 2.042 88 L HA -0.173 4.167 4.340 0.000 0.000 0.210 88 L C 2.111 178.754 176.870 -0.378 0.000 1.076 88 L CA 2.411 56.980 54.840 -0.451 0.000 0.749 88 L CB -0.786 41.009 42.059 -0.440 0.000 0.893 88 L HN 0.713 nan 8.230 nan 0.000 0.432 89 T N -2.380 112.063 114.554 -0.185 0.000 3.219 89 T HA 0.423 4.773 4.350 0.000 0.000 0.249 89 T C 0.776 175.609 174.700 0.221 0.000 1.099 89 T CA 0.073 62.178 62.100 0.008 0.000 0.988 89 T CB -0.808 68.088 68.868 0.048 0.000 0.999 89 T HN 0.402 nan 8.240 nan 0.000 0.550 90 A N 1.414 124.308 122.820 0.125 0.000 2.524 90 A HA 0.527 4.847 4.320 0.000 0.000 0.250 90 A C 0.260 177.948 177.584 0.174 0.000 1.078 90 A CA -0.370 51.740 52.037 0.121 0.000 0.761 90 A CB 0.015 19.050 19.000 0.058 0.000 1.012 90 A HN 0.404 nan 8.150 nan 0.000 0.500 91 V N 3.809 123.783 119.914 0.099 0.000 2.472 91 V HA 0.553 4.673 4.120 0.000 0.000 0.290 91 V C 0.065 176.199 176.094 0.068 0.000 1.037 91 V CA -0.272 62.042 62.300 0.023 0.000 0.908 91 V CB 1.411 33.190 31.823 -0.073 0.000 0.985 91 V HN 0.969 nan 8.190 nan 0.000 0.454 92 M N 3.843 123.506 119.600 0.105 0.000 2.204 92 M HA 0.687 5.167 4.480 0.000 0.000 0.293 92 M C 0.366 176.799 176.300 0.221 0.000 0.994 92 M CA 0.985 56.392 55.300 0.177 0.000 0.925 92 M CB 1.383 34.147 32.600 0.273 0.000 1.577 92 M HN 0.993 nan 8.290 nan 0.000 0.439 93 G N 2.610 111.490 108.800 0.134 0.000 2.557 93 G HA2 -0.301 3.659 3.960 0.000 0.000 0.292 93 G HA3 -0.301 3.659 3.960 0.000 0.000 0.292 93 G C 0.326 175.249 174.900 0.038 0.000 1.162 93 G CA 0.617 45.785 45.100 0.113 0.000 0.964 93 G HN 1.407 nan 8.290 nan 0.000 0.541 94 S N 0.162 115.864 115.700 0.003 0.000 2.730 94 S HA 0.614 5.084 4.470 0.000 0.000 0.244 94 S C 0.556 175.063 174.600 -0.156 0.000 1.022 94 S CA 0.558 58.716 58.200 -0.070 0.000 1.014 94 S CB -0.242 62.927 63.200 -0.051 0.000 0.963 94 S HN 1.693 nan 8.310 nan 0.000 0.540 95 I N -2.415 118.045 120.570 -0.184 0.000 2.892 95 I HA 0.695 4.865 4.170 0.000 0.000 0.306 95 I C -0.972 174.979 176.117 -0.277 0.000 1.078 95 I CA -1.779 59.350 61.300 -0.286 0.000 1.032 95 I CB 0.846 38.645 38.000 -0.334 0.000 1.229 95 I HN -0.132 nan 8.210 nan 0.000 0.435 96 Y N 2.011 122.255 120.300 -0.093 0.000 2.712 96 Y HA -0.050 4.500 4.550 0.000 0.000 0.333 96 Y C 1.738 177.613 175.900 -0.042 0.000 1.225 96 Y CA 0.583 58.649 58.100 -0.057 0.000 1.499 96 Y CB 0.330 38.754 38.460 -0.061 0.000 1.288 96 Y HN 0.694 nan 8.280 nan 0.000 0.575 97 Q N 1.938 121.855 119.800 0.195 0.000 2.181 97 Q HA -0.252 4.088 4.340 0.000 0.000 0.205 97 Q C 1.240 177.275 176.000 0.059 0.000 0.980 97 Q CA 1.713 57.595 55.803 0.133 0.000 0.862 97 Q CB -0.238 28.530 28.738 0.050 0.000 0.905 97 Q HN 0.836 nan 8.270 nan 0.000 0.429 98 Y N 0.318 120.560 120.300 -0.095 0.000 2.256 98 Y HA -0.215 4.335 4.550 0.001 0.000 0.288 98 Y C 1.831 177.663 175.900 -0.112 0.000 1.155 98 Y CA 1.289 59.303 58.100 -0.143 0.000 1.203 98 Y CB -0.033 38.355 38.460 -0.121 0.000 0.980 98 Y HN 0.210 nan 8.280 nan 0.000 0.530 99 I N -1.797 118.811 120.570 0.063 0.000 2.500 99 I HA -0.270 3.900 4.170 0.000 0.000 0.252 99 I C 1.957 178.039 176.117 -0.058 0.000 1.142 99 I CA 1.117 62.401 61.300 -0.027 0.000 1.451 99 I CB -0.478 37.475 38.000 -0.077 0.000 1.093 99 I HN 0.233 nan 8.210 nan 0.000 0.430 100 H N 0.067 119.114 119.070 -0.038 0.000 2.389 100 H HA -0.116 4.441 4.556 0.000 0.000 0.299 100 H C 2.382 177.680 175.328 -0.049 0.000 1.081 100 H CA 1.327 57.349 56.048 -0.042 0.000 1.345 100 H CB 0.161 29.888 29.762 -0.058 0.000 1.393 100 H HN 0.041 nan 8.280 nan 0.000 0.520 101 V N 0.784 120.595 119.914 -0.172 0.000 2.287 101 V HA -0.324 3.796 4.120 0.000 0.000 0.248 101 V C 2.586 178.721 176.094 0.070 0.000 1.053 101 V CA 1.872 63.958 62.300 -0.356 0.000 1.027 101 V CB -0.915 30.442 31.823 -0.776 0.000 0.646 101 V HN 0.575 nan 8.190 nan 0.000 0.447 102 A N -0.836 121.974 122.820 -0.016 0.000 1.898 102 A HA -0.176 4.144 4.320 0.000 0.000 0.216 102 A C 2.104 179.669 177.584 -0.032 0.000 1.181 102 A CA 1.740 53.767 52.037 -0.016 0.000 0.620 102 A CB -0.669 18.321 19.000 -0.016 0.000 0.819 102 A HN 0.497 nan 8.150 nan 0.000 0.442 103 F N 0.545 120.417 119.950 -0.130 0.000 2.102 103 F HA -0.202 4.326 4.527 0.000 0.000 0.298 103 F C 2.507 178.161 175.800 -0.244 0.000 1.105 103 F CA 2.181 60.061 58.000 -0.200 0.000 1.239 103 F CB -0.102 38.789 39.000 -0.181 0.000 0.991 103 F HN 0.175 nan 8.300 nan 0.000 0.474 104 Q N 0.222 120.006 119.800 -0.027 0.000 2.119 104 Q HA -0.046 4.294 4.340 0.000 0.000 0.201 104 Q C 2.562 178.222 176.000 -0.566 0.000 0.972 104 Q CA 1.313 57.096 55.803 -0.034 0.000 0.847 104 Q CB -1.299 27.737 28.738 0.497 0.000 0.903 104 Q HN 0.559 nan 8.270 nan 0.000 0.433 105 G N 1.044 109.335 108.800 -0.848 0.000 2.418 105 G HA2 -0.275 3.685 3.960 0.000 0.000 0.217 105 G HA3 -0.275 3.685 3.960 0.000 0.000 0.217 105 G C 1.640 176.029 174.900 -0.851 0.000 1.158 105 G CA 1.493 45.662 45.100 -1.553 0.000 0.771 105 G HN 0.518 nan 8.290 nan 0.000 0.545 106 S N 1.037 116.384 115.700 -0.588 0.000 2.419 106 S HA 0.134 4.605 4.470 0.000 0.000 0.235 106 S C 2.489 176.761 174.600 -0.546 0.000 1.019 106 S CA 1.485 59.406 58.200 -0.466 0.000 0.982 106 S CB -0.307 62.658 63.200 -0.392 0.000 0.789 106 S HN 0.585 nan 8.310 nan 0.000 0.490 107 A N 1.897 124.287 122.820 -0.717 0.000 1.930 107 A HA 0.485 4.805 4.320 0.000 0.000 0.215 107 A C 2.541 179.935 177.584 -0.317 0.000 1.176 107 A CA 1.298 53.032 52.037 -0.506 0.000 0.632 107 A CB -1.404 17.355 19.000 -0.401 0.000 0.819 107 A HN 0.817 nan 8.150 nan 0.000 0.445 108 A N -0.616 121.814 122.820 -0.649 0.000 1.883 108 A HA -0.211 4.109 4.320 0.000 0.000 0.217 108 A C 2.317 179.563 177.584 -0.562 0.000 1.186 108 A CA 1.768 53.182 52.037 -1.038 0.000 0.624 108 A CB -1.391 16.949 19.000 -1.100 0.000 0.822 108 A HN 0.583 nan 8.150 nan 0.000 0.444 109 C N -1.250 117.807 119.300 -0.406 0.000 2.413 109 C HA -0.151 4.309 4.460 0.000 0.000 0.277 109 C C 2.477 177.436 174.990 -0.052 0.000 1.228 109 C CA 1.282 60.207 59.018 -0.154 0.000 1.731 109 C CB -1.309 26.402 27.740 -0.049 0.000 2.042 109 C HN 0.689 nan 8.230 nan 0.000 0.468 110 I N 0.966 121.483 120.570 -0.087 0.000 2.493 110 I HA -0.136 4.034 4.170 0.000 0.000 0.254 110 I C 2.272 178.348 176.117 -0.068 0.000 1.160 110 I CA 1.785 63.047 61.300 -0.063 0.000 1.445 110 I CB -0.594 37.359 38.000 -0.079 0.000 1.086 110 I HN 0.320 nan 8.210 nan 0.000 0.433 111 T N -0.497 114.016 114.554 -0.069 0.000 2.770 111 T HA -0.089 4.261 4.350 0.000 0.000 0.263 111 T C 2.034 176.754 174.700 0.033 0.000 1.039 111 T CA 1.630 63.727 62.100 -0.005 0.000 1.142 111 T CB -0.421 68.502 68.868 0.092 0.000 0.868 111 T HN 0.177 nan 8.240 nan 0.000 0.435 112 V N 1.581 121.514 119.914 0.031 0.000 2.343 112 V HA -0.091 4.029 4.120 0.000 0.000 0.247 112 V C 2.882 178.995 176.094 0.033 0.000 1.051 112 V CA 1.953 64.291 62.300 0.064 0.000 1.036 112 V CB -1.335 30.528 31.823 0.068 0.000 0.654 112 V HN 0.606 nan 8.190 nan 0.000 0.451 113 G N -0.163 108.655 108.800 0.031 0.000 2.450 113 G HA2 -0.261 3.699 3.960 0.000 0.000 0.220 113 G HA3 -0.261 3.699 3.960 0.000 0.000 0.220 113 G C 1.572 176.509 174.900 0.062 0.000 1.130 113 G CA 1.115 46.242 45.100 0.045 0.000 0.760 113 G HN 0.459 nan 8.290 nan 0.000 0.557 114 L N 0.600 121.835 121.223 0.020 0.000 2.093 114 L HA 0.099 4.439 4.340 0.000 0.000 0.208 114 L C 2.579 179.459 176.870 0.018 0.000 1.085 114 L CA 1.386 56.245 54.840 0.031 0.000 0.755 114 L CB -0.305 41.663 42.059 -0.151 0.000 0.904 114 L HN 0.296 nan 8.230 nan 0.000 0.435 115 I N -2.077 118.458 120.570 -0.059 0.000 2.277 115 I HA -0.175 3.996 4.170 0.000 0.000 0.243 115 I C 2.281 178.319 176.117 -0.132 0.000 1.094 115 I CA 0.786 62.022 61.300 -0.107 0.000 1.393 115 I CB -0.433 37.477 38.000 -0.150 0.000 1.078 115 I HN -0.008 nan 8.210 nan 0.000 0.417 116 V N 1.358 121.221 119.914 -0.084 0.000 2.343 116 V HA -0.205 3.915 4.120 0.000 0.000 0.247 116 V C 2.604 178.556 176.094 -0.236 0.000 1.051 116 V CA 2.219 64.457 62.300 -0.103 0.000 1.036 116 V CB -1.421 30.385 31.823 -0.028 0.000 0.654 116 V HN 0.582 nan 8.190 nan 0.000 0.451 117 G N -0.443 108.162 108.800 -0.324 0.000 2.418 117 G HA2 -0.183 3.777 3.960 0.000 0.000 0.217 117 G HA3 -0.183 3.777 3.960 0.000 0.000 0.217 117 G C 1.769 175.929 174.900 -1.233 0.000 1.158 117 G CA 0.960 45.639 45.100 -0.701 0.000 0.771 117 G HN 0.601 nan 8.290 nan 0.000 0.545 118 A N 0.298 122.443 122.820 -1.125 0.000 1.933 118 A HA 0.149 4.470 4.320 0.000 0.000 0.218 118 A C 2.159 179.543 177.584 -0.334 0.000 1.175 118 A CA 1.210 52.875 52.037 -0.620 0.000 0.628 118 A CB -0.236 18.653 19.000 -0.185 0.000 0.814 118 A HN 0.375 nan 8.150 nan 0.000 0.444 119 L N -1.537 119.512 121.223 -0.290 0.000 2.766 119 L HA 0.264 4.604 4.340 0.000 0.000 0.242 119 L C 2.405 179.165 176.870 -0.182 0.000 1.136 119 L CA 0.366 55.082 54.840 -0.206 0.000 0.933 119 L CB 0.029 41.970 42.059 -0.196 0.000 1.241 119 L HN 0.315 nan 8.230 nan 0.000 0.522 120 A N 0.637 123.329 122.820 -0.213 0.000 1.948 120 A HA -0.234 4.086 4.320 0.000 0.000 0.220 120 A C 2.108 179.605 177.584 -0.145 0.000 1.177 120 A CA 1.771 53.694 52.037 -0.189 0.000 0.636 120 A CB -0.237 18.640 19.000 -0.204 0.000 0.815 120 A HN 0.466 nan 8.150 nan 0.000 0.449 121 E N -0.532 119.592 120.200 -0.127 0.000 2.007 121 E HA -0.263 4.087 4.350 0.000 0.000 0.203 121 E C 2.314 178.866 176.600 -0.080 0.000 1.020 121 E CA 1.854 58.200 56.400 -0.090 0.000 0.845 121 E CB -0.263 29.393 29.700 -0.074 0.000 0.779 121 E HN 0.791 nan 8.360 nan 0.000 0.466 122 R N 0.436 120.883 120.500 -0.088 0.000 2.161 122 R HA 0.166 4.506 4.340 0.000 0.000 0.213 122 R C 1.337 177.592 176.300 -0.075 0.000 1.055 122 R CA 0.226 56.278 56.100 -0.080 0.000 0.996 122 R CB -0.274 29.970 30.300 -0.094 0.000 0.901 122 R HN 0.159 nan 8.270 nan 0.000 0.456 123 I N 2.452 122.974 120.570 -0.081 0.000 2.396 123 I HA 0.108 4.278 4.170 0.000 0.000 0.292 123 I C 0.264 176.373 176.117 -0.013 0.000 0.999 123 I CA -1.016 60.255 61.300 -0.049 0.000 1.310 123 I CB 1.090 39.062 38.000 -0.047 0.000 1.404 123 I HN 0.117 nan 8.210 nan 0.000 0.496 124 R N 5.433 125.950 120.500 0.028 0.000 2.590 124 R HA -0.025 4.315 4.340 0.000 0.000 0.274 124 R C 0.579 176.971 176.300 0.153 0.000 1.061 124 R CA -0.158 55.988 56.100 0.076 0.000 1.081 124 R CB 0.489 30.832 30.300 0.071 0.000 0.984 124 R HN 0.677 nan 8.270 nan 0.000 0.448 125 F N 2.989 122.949 119.950 0.017 0.000 2.027 125 F HA -0.298 4.229 4.527 -0.000 0.000 0.297 125 F C 2.357 178.181 175.800 0.041 0.000 1.129 125 F CA 2.640 60.657 58.000 0.027 0.000 1.195 125 F CB -0.804 38.210 39.000 0.023 0.000 0.960 125 F HN 0.722 nan 8.300 nan 0.000 0.485 126 S N 0.418 116.286 115.700 0.279 0.000 2.400 126 S HA -0.192 4.278 4.470 0.000 0.000 0.232 126 S C 2.248 176.940 174.600 0.153 0.000 1.025 126 S CA 1.060 59.340 58.200 0.133 0.000 0.993 126 S CB -1.332 61.895 63.200 0.046 0.000 0.808 126 S HN 0.476 nan 8.310 nan 0.000 0.478 127 A N 1.372 124.286 122.820 0.157 0.000 1.898 127 A HA 0.073 4.393 4.320 0.000 0.000 0.216 127 A C 2.403 180.109 177.584 0.204 0.000 1.181 127 A CA 1.368 53.497 52.037 0.154 0.000 0.620 127 A CB -1.172 17.902 19.000 0.123 0.000 0.819 127 A HN 0.449 nan 8.150 nan 0.000 0.442 128 V N 0.314 120.355 119.914 0.212 0.000 2.295 128 V HA -0.249 3.871 4.120 0.000 0.000 0.246 128 V C 2.462 178.723 176.094 0.279 0.000 1.049 128 V CA 2.271 64.709 62.300 0.231 0.000 1.024 128 V CB -0.520 31.380 31.823 0.127 0.000 0.648 128 V HN 0.597 nan 8.190 nan 0.000 0.447 129 L N -0.573 120.817 121.223 0.278 0.000 2.013 129 L HA -0.249 4.092 4.340 0.000 0.000 0.212 129 L C 2.410 179.373 176.870 0.155 0.000 1.073 129 L CA 2.281 57.252 54.840 0.219 0.000 0.753 129 L CB -0.629 41.542 42.059 0.186 0.000 0.890 129 L HN 0.312 nan 8.230 nan 0.000 0.432 130 I N -0.970 119.687 120.570 0.146 0.000 2.179 130 I HA -0.343 3.827 4.170 0.000 0.000 0.242 130 I C 2.516 178.694 176.117 0.100 0.000 1.088 130 I CA 1.515 62.877 61.300 0.104 0.000 1.357 130 I CB -0.357 37.700 38.000 0.095 0.000 1.051 130 I HN 0.160 nan 8.210 nan 0.000 0.409 131 F N 1.438 121.390 119.950 0.003 0.000 2.069 131 F HA -0.241 4.285 4.527 -0.001 0.000 0.298 131 F C 2.382 178.195 175.800 0.021 0.000 1.113 131 F CA 1.793 59.745 58.000 -0.080 0.000 1.214 131 F CB -0.670 38.203 39.000 -0.213 0.000 0.978 131 F HN -0.221 nan 8.300 nan 0.000 0.474 132 V N 0.112 120.006 119.914 -0.034 0.000 2.282 132 V HA -0.354 3.767 4.120 0.000 0.000 0.249 132 V C 2.469 178.534 176.094 -0.049 0.000 1.057 132 V CA 1.886 64.152 62.300 -0.057 0.000 1.032 132 V CB -0.961 30.935 31.823 0.122 0.000 0.645 132 V HN 0.357 nan 8.190 nan 0.000 0.447 133 V N -0.519 119.398 119.914 0.005 0.000 2.295 133 V HA -0.241 3.879 4.120 0.000 0.000 0.246 133 V C 2.393 178.491 176.094 0.006 0.000 1.049 133 V CA 2.057 64.383 62.300 0.043 0.000 1.024 133 V CB -0.442 31.419 31.823 0.063 0.000 0.648 133 V HN 0.405 nan 8.190 nan 0.000 0.447 134 V N -1.311 118.566 119.914 -0.062 0.000 2.255 134 V HA -0.306 3.814 4.120 0.000 0.000 0.247 134 V C 1.967 178.013 176.094 -0.079 0.000 1.051 134 V CA 2.657 64.913 62.300 -0.074 0.000 1.018 134 V CB -0.666 31.108 31.823 -0.083 0.000 0.641 134 V HN 0.819 nan 8.190 nan 0.000 0.445 135 W N -0.159 120.872 121.300 -0.449 0.000 2.523 135 W HA -0.002 4.657 4.660 -0.001 0.000 0.278 135 W C 2.058 178.501 176.519 -0.127 0.000 1.236 135 W CA 1.020 58.125 57.345 -0.400 0.000 1.306 135 W CB -0.015 28.878 29.460 -0.946 0.000 1.101 135 W HN 0.205 nan 8.180 nan 0.000 0.577 136 L N 0.516 121.771 121.223 0.053 0.000 2.017 136 L HA -0.146 4.194 4.340 0.000 0.000 0.208 136 L C 2.259 179.158 176.870 0.049 0.000 1.073 136 L CA 2.706 57.582 54.840 0.061 0.000 0.745 136 L CB -1.128 41.011 42.059 0.133 0.000 0.894 136 L HN -0.118 nan 8.230 nan 0.000 0.432 137 T N -0.383 114.215 114.554 0.073 0.000 2.812 137 T HA -0.047 4.303 4.350 0.000 0.000 0.264 137 T C 1.748 176.463 174.700 0.025 0.000 1.042 137 T CA 1.700 63.870 62.100 0.117 0.000 1.140 137 T CB -0.130 68.796 68.868 0.096 0.000 0.870 137 T HN 0.277 nan 8.240 nan 0.000 0.445 138 L N -0.289 120.917 121.223 -0.029 0.000 2.590 138 L HA 0.310 4.650 4.340 0.000 0.000 0.227 138 L C 2.304 179.253 176.870 0.132 0.000 1.099 138 L CA 0.307 55.158 54.840 0.019 0.000 0.872 138 L CB 0.073 42.112 42.059 -0.033 0.000 1.088 138 L HN 0.204 nan 8.230 nan 0.000 0.479 139 S N -1.259 114.344 115.700 -0.161 0.000 3.249 139 S HA -0.020 4.450 4.470 0.000 0.000 0.237 139 S C 1.735 176.026 174.600 -0.515 0.000 1.007 139 S CA -0.129 57.901 58.200 -0.284 0.000 0.811 139 S CB -0.228 62.481 63.200 -0.818 0.000 0.832 139 S HN 0.307 nan 8.310 nan 0.000 0.573 140 Y N 2.424 122.206 120.300 -0.863 0.000 2.097 140 Y HA -0.068 4.482 4.550 -0.000 0.000 0.282 140 Y C 1.930 177.694 175.900 -0.227 0.000 1.152 140 Y CA 2.137 59.902 58.100 -0.557 0.000 1.136 140 Y CB -0.380 37.818 38.460 -0.436 0.000 0.975 140 Y HN 0.310 nan 8.280 nan 0.000 0.498 141 I N 0.080 120.648 120.570 -0.004 0.000 2.113 141 I HA -0.245 3.925 4.170 0.000 0.000 0.238 141 I C -0.665 175.371 176.117 -0.136 0.000 1.070 141 I CA 1.390 62.713 61.300 0.039 0.000 1.332 141 I CB -1.524 36.570 38.000 0.158 0.000 1.044 141 I HN 0.203 nan 8.210 nan 0.000 0.402 142 P HA -0.157 nan 4.420 nan 0.000 0.215 142 P C 1.873 178.935 177.300 -0.397 0.000 1.157 142 P CA 1.637 64.657 63.100 -0.134 0.000 0.868 142 P CB -0.020 31.698 31.700 0.031 0.000 0.788 143 I N -0.575 119.632 120.570 -0.605 0.000 2.179 143 I HA -0.282 3.888 4.170 0.000 0.000 0.242 143 I C 2.387 178.152 176.117 -0.586 0.000 1.088 143 I CA 1.523 62.432 61.300 -0.652 0.000 1.357 143 I CB -0.959 36.662 38.000 -0.631 0.000 1.051 143 I HN -0.088 nan 8.210 nan 0.000 0.409 144 A N 0.327 122.762 122.820 -0.643 0.000 1.903 144 A HA -0.364 3.957 4.320 0.000 0.000 0.219 144 A C 2.201 179.533 177.584 -0.421 0.000 1.191 144 A CA 2.565 54.268 52.037 -0.557 0.000 0.638 144 A CB -1.195 17.536 19.000 -0.449 0.000 0.823 144 A HN 0.565 nan 8.150 nan 0.000 0.451 145 H N -0.987 117.804 119.070 -0.465 0.000 2.353 145 H HA 0.011 4.568 4.556 0.000 0.000 0.300 145 H C 1.982 177.123 175.328 -0.310 0.000 1.090 145 H CA 2.079 57.891 56.048 -0.393 0.000 1.327 145 H CB -0.208 29.380 29.762 -0.291 0.000 1.383 145 H HN 0.444 nan 8.280 nan 0.000 0.508 146 M N -0.941 118.466 119.600 -0.321 0.000 2.296 146 M HA -0.114 4.366 4.480 0.000 0.000 0.265 146 M C 1.686 177.794 176.300 -0.320 0.000 1.064 146 M CA 1.028 56.115 55.300 -0.356 0.000 1.109 146 M CB 0.381 32.740 32.600 -0.401 0.000 1.396 146 M HN 0.214 nan 8.290 nan 0.000 0.430 147 V N -2.615 117.090 119.914 -0.349 0.000 2.690 147 V HA -0.051 4.069 4.120 0.000 0.000 0.240 147 V C 1.257 177.298 176.094 -0.089 0.000 1.078 147 V CA 0.876 62.986 62.300 -0.316 0.000 1.102 147 V CB -0.061 31.405 31.823 -0.595 0.000 0.800 147 V HN 0.526 nan 8.190 nan 0.000 0.479 148 W N 0.384 121.656 121.300 -0.047 0.000 3.127 148 W HA 0.503 5.164 4.660 0.001 0.000 0.344 148 W C 1.650 178.233 176.519 0.106 0.000 1.151 148 W CA 0.307 57.713 57.345 0.101 0.000 1.765 148 W CB -0.133 29.508 29.460 0.302 0.000 1.085 148 W HN 0.325 nan 8.180 nan 0.000 0.596 149 G N -0.651 108.143 108.800 -0.010 0.000 3.575 149 G HA2 0.380 4.340 3.960 0.000 0.000 0.273 149 G HA3 0.380 4.340 3.960 0.000 0.000 0.273 149 G C 1.169 175.820 174.900 -0.415 0.000 1.053 149 G CA 0.233 45.209 45.100 -0.208 0.000 0.803 149 G HN 0.243 nan 8.290 nan 0.000 0.528 150 G N -0.950 107.698 108.800 -0.254 0.000 2.157 150 G HA2 -0.042 3.918 3.960 0.000 0.000 0.248 150 G HA3 -0.042 3.918 3.960 0.000 0.000 0.248 150 G C 0.859 175.580 174.900 -0.297 0.000 0.979 150 G CA 0.244 45.214 45.100 -0.216 0.000 0.650 150 G HN 1.007 nan 8.290 nan 0.000 0.529 151 G N -0.812 107.719 108.800 -0.449 0.000 2.494 151 G HA2 0.543 4.504 3.960 0.000 0.000 0.270 151 G HA3 0.543 4.504 3.960 0.000 0.000 0.270 151 G C 1.317 176.055 174.900 -0.269 0.000 1.423 151 G CA 0.169 45.040 45.100 -0.382 0.000 1.055 151 G HN 0.830 nan 8.290 nan 0.000 0.536 152 L N -0.606 120.399 121.223 -0.364 0.000 1.997 152 L HA -0.124 4.216 4.340 0.000 0.000 0.216 152 L C 2.793 179.577 176.870 -0.145 0.000 1.074 152 L CA 1.796 56.450 54.840 -0.311 0.000 0.763 152 L CB -0.515 41.228 42.059 -0.527 0.000 0.890 152 L HN 0.496 nan 8.230 nan 0.000 0.434 153 L N -1.509 119.598 121.223 -0.193 0.000 2.072 153 L HA -0.087 4.254 4.340 0.000 0.000 0.205 153 L C 2.650 179.506 176.870 -0.023 0.000 1.079 153 L CA 0.943 55.708 54.840 -0.125 0.000 0.752 153 L CB -1.010 40.951 42.059 -0.163 0.000 0.906 153 L HN 0.334 nan 8.230 nan 0.000 0.436 154 A N 0.650 123.443 122.820 -0.046 0.000 1.883 154 A HA -0.239 4.081 4.320 0.000 0.000 0.217 154 A C 2.468 180.072 177.584 0.034 0.000 1.186 154 A CA 2.129 54.174 52.037 0.012 0.000 0.624 154 A CB -0.878 18.122 19.000 0.001 0.000 0.822 154 A HN 0.500 nan 8.150 nan 0.000 0.444 155 S N -1.428 114.283 115.700 0.018 0.000 2.595 155 S HA -0.130 4.340 4.470 0.000 0.000 0.235 155 S C 1.174 175.773 174.600 -0.002 0.000 0.974 155 S CA 1.431 59.636 58.200 0.008 0.000 0.942 155 S CB -0.596 62.590 63.200 -0.022 0.000 0.766 155 S HN 0.678 nan 8.310 nan 0.000 0.536 156 H N 0.136 119.186 119.070 -0.033 0.000 2.652 156 H HA 0.442 4.998 4.556 0.000 0.000 0.274 156 H C 1.504 176.850 175.328 0.031 0.000 1.021 156 H CA 0.050 56.097 56.048 -0.001 0.000 1.187 156 H CB 0.711 30.457 29.762 -0.027 0.000 1.505 156 H HN 0.497 nan 8.280 nan 0.000 0.530 157 G N 0.167 109.034 108.800 0.112 0.000 2.134 157 G HA2 -0.182 3.779 3.960 0.000 0.000 0.209 157 G HA3 -0.182 3.779 3.960 0.000 0.000 0.209 157 G C 0.419 175.356 174.900 0.061 0.000 0.993 157 G CA -0.028 45.125 45.100 0.088 0.000 0.669 157 G HN 0.629 nan 8.290 nan 0.000 0.519 158 A N 0.048 122.900 122.820 0.053 0.000 2.498 158 A HA 0.614 4.934 4.320 0.000 0.000 0.239 158 A C 0.612 178.230 177.584 0.058 0.000 1.068 158 A CA 0.406 52.463 52.037 0.032 0.000 0.766 158 A CB 0.209 19.215 19.000 0.010 0.000 1.003 158 A HN 1.069 nan 8.150 nan 0.000 0.497 159 L N 2.269 123.517 121.223 0.041 0.000 2.305 159 L HA 0.554 4.894 4.340 0.000 0.000 0.284 159 L C -0.550 176.480 176.870 0.266 0.000 1.013 159 L CA -0.477 54.392 54.840 0.048 0.000 0.819 159 L CB 1.525 43.402 42.059 -0.304 0.000 1.227 159 L HN 0.708 nan 8.230 nan 0.000 0.417 160 D N 2.012 122.714 120.400 0.504 0.000 2.474 160 D HA 0.074 4.714 4.640 0.000 0.000 0.234 160 D C 0.144 176.887 176.300 0.739 0.000 1.323 160 D CA -0.447 53.855 54.000 0.503 0.000 0.915 160 D CB 0.646 41.602 40.800 0.260 0.000 1.487 160 D HN 0.317 nan 8.370 nan 0.000 0.524 161 F N 2.923 123.211 119.950 0.564 0.000 2.069 161 F HA -0.000 4.527 4.527 0.000 0.000 0.298 161 F C 1.748 177.805 175.800 0.428 0.000 1.113 161 F CA 2.249 60.449 58.000 0.333 0.000 1.214 161 F CB 0.388 39.369 39.000 -0.031 0.000 0.978 161 F HN 0.429 nan 8.300 nan 0.000 0.474 162 A N -1.802 121.361 122.820 0.571 0.000 2.635 162 A HA 0.567 4.887 4.320 0.000 0.000 0.279 162 A C 0.884 178.762 177.584 0.490 0.000 1.122 162 A CA 0.417 52.722 52.037 0.448 0.000 0.965 162 A CB -0.184 19.032 19.000 0.362 0.000 1.221 162 A HN 0.888 nan 8.150 nan 0.000 0.566 163 G N -1.074 108.129 108.800 0.672 0.000 2.247 163 G HA2 0.072 4.032 3.960 0.000 0.000 0.111 163 G HA3 0.072 4.032 3.960 0.000 0.000 0.111 163 G C 0.981 176.040 174.900 0.266 0.000 1.045 163 G CA 0.287 45.610 45.100 0.371 0.000 0.715 163 G HN 1.105 nan 8.290 nan 0.000 0.485 164 G N 0.235 109.199 108.800 0.273 0.000 2.418 164 G HA2 0.064 4.024 3.960 0.000 0.000 0.217 164 G HA3 0.064 4.024 3.960 0.000 0.000 0.217 164 G C 1.816 176.825 174.900 0.182 0.000 1.158 164 G CA 2.627 47.879 45.100 0.252 0.000 0.771 164 G HN 1.370 nan 8.290 nan 0.000 0.545 165 T N -1.359 113.236 114.554 0.068 0.000 2.904 165 T HA 0.028 4.378 4.350 0.000 0.000 0.243 165 T C 2.332 176.994 174.700 -0.065 0.000 1.024 165 T CA 1.088 63.190 62.100 0.004 0.000 1.158 165 T CB -0.561 68.265 68.868 -0.070 0.000 0.867 165 T HN -0.020 nan 8.240 nan 0.000 0.429 166 V N 1.854 121.615 119.914 -0.254 0.000 2.324 166 V HA -0.146 3.974 4.120 0.000 0.000 0.250 166 V C 2.775 178.827 176.094 -0.070 0.000 1.060 166 V CA 1.805 63.867 62.300 -0.397 0.000 1.042 166 V CB -0.883 30.391 31.823 -0.914 0.000 0.650 166 V HN 0.424 nan 8.190 nan 0.000 0.450 167 V N -1.485 118.442 119.914 0.021 0.000 2.484 167 V HA -0.017 4.103 4.120 0.000 0.000 0.236 167 V C 2.273 178.324 176.094 -0.071 0.000 1.062 167 V CA 1.236 63.537 62.300 0.002 0.000 1.081 167 V CB -0.661 31.008 31.823 -0.258 0.000 0.751 167 V HN 0.503 nan 8.190 nan 0.000 0.484 168 H N -0.172 118.999 119.070 0.168 0.000 2.294 168 H HA 0.111 4.667 4.556 0.000 0.000 0.306 168 H C 2.381 177.833 175.328 0.208 0.000 1.065 168 H CA 1.863 58.043 56.048 0.220 0.000 1.343 168 H CB -0.003 29.916 29.762 0.262 0.000 1.396 168 H HN 0.278 nan 8.280 nan 0.000 0.506 169 I N 1.298 122.036 120.570 0.281 0.000 2.179 169 I HA -0.287 3.884 4.170 0.000 0.000 0.242 169 I C 2.527 178.817 176.117 0.288 0.000 1.088 169 I CA 1.152 62.597 61.300 0.240 0.000 1.357 169 I CB -0.343 37.771 38.000 0.189 0.000 1.051 169 I HN 0.173 nan 8.210 nan 0.000 0.409 170 N N 1.298 120.164 118.700 0.277 0.000 2.049 170 N HA -0.247 4.493 4.740 0.000 0.000 0.198 170 N C 1.742 177.601 175.510 0.582 0.000 1.030 170 N CA 2.334 55.628 53.050 0.406 0.000 0.870 170 N CB -0.215 38.461 38.487 0.316 0.000 1.045 170 N HN 0.404 nan 8.380 nan 0.000 0.434 171 A N -0.128 122.939 122.820 0.412 0.000 1.929 171 A HA 0.239 4.559 4.320 0.000 0.000 0.216 171 A C 2.347 180.019 177.584 0.148 0.000 1.176 171 A CA 1.667 53.823 52.037 0.199 0.000 0.628 171 A CB -1.024 18.010 19.000 0.058 0.000 0.816 171 A HN 0.429 nan 8.150 nan 0.000 0.444 172 A N 0.190 123.149 122.820 0.232 0.000 1.940 172 A HA -0.092 4.228 4.320 0.000 0.000 0.219 172 A C 1.975 179.786 177.584 0.379 0.000 1.176 172 A CA 1.709 53.933 52.037 0.311 0.000 0.631 172 A CB -0.464 18.741 19.000 0.341 0.000 0.814 172 A HN 0.412 nan 8.150 nan 0.000 0.446 173 I N -0.249 120.549 120.570 0.380 0.000 2.286 173 I HA -0.161 4.009 4.170 0.000 0.000 0.245 173 I C 2.957 179.241 176.117 0.279 0.000 1.104 173 I CA 1.205 62.706 61.300 0.335 0.000 1.397 173 I CB -1.757 36.452 38.000 0.349 0.000 1.072 173 I HN 0.351 nan 8.210 nan 0.000 0.417 174 A N 1.479 124.465 122.820 0.276 0.000 1.873 174 A HA -0.196 4.124 4.320 0.000 0.000 0.218 174 A C 2.528 180.178 177.584 0.111 0.000 1.193 174 A CA 2.330 54.455 52.037 0.146 0.000 0.629 174 A CB -1.514 17.262 19.000 -0.373 0.000 0.826 174 A HN 0.423 nan 8.150 nan 0.000 0.447 175 G N -0.825 108.001 108.800 0.043 0.000 2.442 175 G HA2 -0.137 3.824 3.960 0.000 0.000 0.219 175 G HA3 -0.137 3.824 3.960 0.000 0.000 0.219 175 G C 1.442 176.355 174.900 0.021 0.000 1.141 175 G CA 1.309 46.416 45.100 0.012 0.000 0.763 175 G HN 0.373 nan 8.290 nan 0.000 0.554 176 L N 0.138 121.413 121.223 0.088 0.000 2.072 176 L HA 0.044 4.385 4.340 0.000 0.000 0.205 176 L C 3.074 179.962 176.870 0.031 0.000 1.079 176 L CA 0.763 55.632 54.840 0.048 0.000 0.752 176 L CB -0.505 41.560 42.059 0.011 0.000 0.906 176 L HN 0.090 nan 8.230 nan 0.000 0.436 177 V N -0.289 119.669 119.914 0.073 0.000 2.287 177 V HA -0.256 3.864 4.120 0.000 0.000 0.248 177 V C 2.552 178.579 176.094 -0.111 0.000 1.053 177 V CA 1.958 64.322 62.300 0.107 0.000 1.027 177 V CB -1.529 30.477 31.823 0.305 0.000 0.646 177 V HN 0.582 nan 8.190 nan 0.000 0.447 178 G N -0.288 108.213 108.800 -0.500 0.000 2.459 178 G HA2 -0.271 3.689 3.960 0.000 0.000 0.217 178 G HA3 -0.271 3.689 3.960 0.000 0.000 0.217 178 G C 1.799 176.419 174.900 -0.467 0.000 1.183 178 G CA 1.245 45.694 45.100 -1.085 0.000 0.776 178 G HN 0.630 nan 8.290 nan 0.000 0.552 179 A N -0.078 122.602 122.820 -0.233 0.000 1.908 179 A HA -0.107 4.213 4.320 0.000 0.000 0.218 179 A C 2.234 179.773 177.584 -0.075 0.000 1.181 179 A CA 1.904 53.867 52.037 -0.123 0.000 0.627 179 A CB -0.749 18.224 19.000 -0.046 0.000 0.818 179 A HN 0.565 nan 8.150 nan 0.000 0.445 180 Y N 0.255 120.470 120.300 -0.142 0.000 2.145 180 Y HA -0.013 4.536 4.550 -0.001 0.000 0.286 180 Y C 1.019 176.861 175.900 -0.097 0.000 1.145 180 Y CA 1.080 59.123 58.100 -0.094 0.000 1.148 180 Y CB -0.201 38.225 38.460 -0.057 0.000 0.981 180 Y HN 0.217 nan 8.280 nan 0.000 0.507 196 H N 0.443 119.496 119.070 -0.028 0.000 2.535 196 H HA 0.181 4.737 4.556 0.000 0.000 0.273 196 H C -0.350 174.964 175.328 -0.023 0.000 0.983 196 H CA 0.588 56.623 56.048 -0.021 0.000 1.238 196 H CB 0.676 30.429 29.762 -0.015 0.000 1.412 196 H HN 0.211 nan 8.280 nan 0.000 0.562 197 N N 0.776 119.134 118.700 -0.570 0.000 2.751 197 N HA 0.105 4.845 4.740 0.000 0.000 0.238 197 N C 0.496 175.845 175.510 -0.268 0.000 1.351 197 N CA -0.244 52.544 53.050 -0.437 0.000 0.751 197 N CB 0.422 38.540 38.487 -0.614 0.000 1.342 197 N HN 0.177 nan 8.380 nan 0.000 0.540 198 L N 1.501 122.624 121.223 -0.168 0.000 2.083 198 L HA 0.023 4.363 4.340 0.000 0.000 0.209 198 L C -0.699 176.135 176.870 -0.061 0.000 1.083 198 L CA 1.140 55.906 54.840 -0.123 0.000 0.752 198 L CB -1.020 40.982 42.059 -0.095 0.000 0.899 198 L HN 0.327 nan 8.230 nan 0.000 0.433 199 P HA -0.276 nan 4.420 nan 0.000 0.216 199 P C 1.816 179.150 177.300 0.057 0.000 1.157 199 P CA 1.810 64.925 63.100 0.025 0.000 0.880 199 P CB -0.035 31.661 31.700 -0.005 0.000 0.791 200 M N -0.907 118.671 119.600 -0.036 0.000 2.132 200 M HA -0.132 4.349 4.480 0.000 0.000 0.263 200 M C 1.664 177.916 176.300 -0.080 0.000 1.065 200 M CA 1.758 57.027 55.300 -0.052 0.000 1.122 200 M CB -0.466 32.075 32.600 -0.100 0.000 1.365 200 M HN -0.253 nan 8.290 nan 0.000 0.411 201 V N 0.679 120.503 119.914 -0.150 0.000 2.332 201 V HA -0.297 3.823 4.120 0.000 0.000 0.248 201 V C 2.201 178.241 176.094 -0.091 0.000 1.055 201 V CA 2.243 64.383 62.300 -0.267 0.000 1.038 201 V CB -1.199 30.406 31.823 -0.364 0.000 0.651 201 V HN 0.619 nan 8.190 nan 0.000 0.450 202 F N 1.612 121.486 119.950 -0.126 0.000 2.113 202 F HA -0.181 4.346 4.527 0.000 0.000 0.297 202 F C 2.438 178.226 175.800 -0.019 0.000 1.103 202 F CA 2.235 60.196 58.000 -0.065 0.000 1.248 202 F CB -0.821 38.138 39.000 -0.068 0.000 0.999 202 F HN 0.126 nan 8.300 nan 0.000 0.475 203 T N 0.193 114.663 114.554 -0.140 0.000 2.635 203 T HA -0.197 4.154 4.350 0.000 0.000 0.267 203 T C 2.181 176.769 174.700 -0.187 0.000 1.040 203 T CA 1.736 63.717 62.100 -0.199 0.000 1.156 203 T CB -1.421 67.428 68.868 -0.032 0.000 0.863 203 T HN 0.482 nan 8.240 nan 0.000 0.430 204 G N 1.051 109.804 108.800 -0.079 0.000 2.440 204 G HA2 -0.232 3.728 3.960 0.000 0.000 0.218 204 G HA3 -0.232 3.728 3.960 0.000 0.000 0.218 204 G C 1.724 176.640 174.900 0.026 0.000 1.154 204 G CA 1.533 46.631 45.100 -0.004 0.000 0.767 204 G HN 0.485 nan 8.290 nan 0.000 0.552 205 T N 1.843 116.445 114.554 0.079 0.000 2.652 205 T HA -0.035 4.315 4.350 0.000 0.000 0.267 205 T C 2.841 177.482 174.700 -0.099 0.000 1.039 205 T CA 1.768 63.896 62.100 0.047 0.000 1.153 205 T CB -0.587 68.303 68.868 0.037 0.000 0.863 205 T HN 0.393 nan 8.240 nan 0.000 0.428 206 A N 1.405 124.031 122.820 -0.323 0.000 1.884 206 A HA -0.138 4.182 4.320 0.000 0.000 0.219 206 A C 2.337 179.887 177.584 -0.057 0.000 1.197 206 A CA 1.778 53.655 52.037 -0.266 0.000 0.637 206 A CB -1.035 17.660 19.000 -0.508 0.000 0.827 206 A HN 0.545 nan 8.150 nan 0.000 0.450 207 I N -0.522 119.949 120.570 -0.165 0.000 2.208 207 I HA -0.284 3.887 4.170 0.000 0.000 0.245 207 I C 2.462 178.453 176.117 -0.210 0.000 1.097 207 I CA 1.214 62.330 61.300 -0.307 0.000 1.363 207 I CB -0.415 37.233 38.000 -0.587 0.000 1.051 207 I HN 0.323 nan 8.210 nan 0.000 0.413 208 L N -0.404 120.762 121.223 -0.095 0.000 1.989 208 L HA -0.287 4.053 4.340 0.000 0.000 0.211 208 L C 2.734 179.744 176.870 0.233 0.000 1.071 208 L CA 1.779 56.640 54.840 0.034 0.000 0.749 208 L CB -0.897 41.202 42.059 0.067 0.000 0.890 208 L HN 0.242 nan 8.230 nan 0.000 0.431 209 Y N 0.735 121.087 120.300 0.086 0.000 2.081 209 Y HA -0.323 4.227 4.550 0.000 0.000 0.280 209 Y C 2.498 178.460 175.900 0.103 0.000 1.163 209 Y CA 1.732 59.850 58.100 0.029 0.000 1.135 209 Y CB -0.156 38.277 38.460 -0.045 0.000 0.970 209 Y HN -0.021 nan 8.280 nan 0.000 0.498 210 I N 0.635 121.311 120.570 0.178 0.000 2.127 210 I HA -0.269 3.901 4.170 0.000 0.000 0.241 210 I C 2.765 179.046 176.117 0.274 0.000 1.075 210 I CA 1.775 63.220 61.300 0.242 0.000 1.334 210 I CB -2.140 36.048 38.000 0.314 0.000 1.040 210 I HN 0.454 nan 8.210 nan 0.000 0.405 211 G N -0.292 108.640 108.800 0.219 0.000 2.450 211 G HA2 -0.276 3.684 3.960 0.000 0.000 0.220 211 G HA3 -0.276 3.684 3.960 0.000 0.000 0.220 211 G C 1.557 176.573 174.900 0.192 0.000 1.130 211 G CA 0.184 45.416 45.100 0.218 0.000 0.760 211 G HN 0.398 nan 8.290 nan 0.000 0.557 212 W N 0.891 122.137 121.300 -0.089 0.000 2.392 212 W HA 0.008 4.669 4.660 0.000 0.000 0.279 212 W C 1.869 178.261 176.519 -0.210 0.000 1.225 212 W CA 0.495 57.743 57.345 -0.161 0.000 1.233 212 W CB -0.482 28.774 29.460 -0.340 0.000 1.122 212 W HN 0.293 nan 8.180 nan 0.000 0.561 213 F N 0.270 120.272 119.950 0.086 0.000 2.216 213 F HA -0.075 4.452 4.527 0.001 0.000 0.300 213 F C 2.673 178.554 175.800 0.136 0.000 1.085 213 F CA 1.582 59.551 58.000 -0.052 0.000 1.326 213 F CB -1.331 37.425 39.000 -0.407 0.000 1.027 213 F HN -0.165 nan 8.300 nan 0.000 0.497 214 G N -0.383 108.598 108.800 0.301 0.000 2.418 214 G HA2 -0.284 3.676 3.960 0.000 0.000 0.217 214 G HA3 -0.284 3.676 3.960 0.000 0.000 0.217 214 G C 1.618 176.723 174.900 0.342 0.000 1.158 214 G CA 0.655 45.885 45.100 0.217 0.000 0.771 214 G HN 0.251 nan 8.290 nan 0.000 0.545 215 F N 2.118 122.167 119.950 0.165 0.000 2.074 215 F HA 0.018 4.545 4.527 -0.000 0.000 0.293 215 F C 2.483 178.450 175.800 0.278 0.000 1.116 215 F CA 1.173 59.263 58.000 0.149 0.000 1.212 215 F CB -0.593 38.347 39.000 -0.100 0.000 0.998 215 F HN 0.049 nan 8.300 nan 0.000 0.471 216 N N 0.573 119.605 118.700 0.554 0.000 2.043 216 N HA -0.160 4.581 4.740 0.000 0.000 0.193 216 N C 1.931 177.744 175.510 0.506 0.000 1.037 216 N CA 1.924 55.260 53.050 0.478 0.000 0.851 216 N CB -1.020 37.661 38.487 0.324 0.000 1.027 216 N HN 0.339 nan 8.380 nan 0.000 0.422 217 A N 0.246 123.339 122.820 0.455 0.000 1.897 217 A HA 0.092 4.412 4.320 0.000 0.000 0.215 217 A C 2.321 180.161 177.584 0.427 0.000 1.181 217 A CA 1.699 54.051 52.037 0.525 0.000 0.620 217 A CB -1.158 18.259 19.000 0.695 0.000 0.821 217 A HN 0.360 nan 8.150 nan 0.000 0.443 218 G N -0.827 108.067 108.800 0.157 0.000 2.470 218 G HA2 -0.087 3.873 3.960 0.000 0.000 0.220 218 G HA3 -0.087 3.873 3.960 0.000 0.000 0.220 218 G C 1.546 176.243 174.900 -0.338 0.000 1.121 218 G CA 1.114 46.055 45.100 -0.264 0.000 0.766 218 G HN 0.454 nan 8.290 nan 0.000 0.553 219 S N 0.544 116.249 115.700 0.009 0.000 2.500 219 S HA 0.068 4.539 4.470 0.000 0.000 0.239 219 S C 2.502 176.833 174.600 -0.448 0.000 0.989 219 S CA 0.749 58.797 58.200 -0.253 0.000 0.951 219 S CB -0.092 62.910 63.200 -0.330 0.000 0.759 219 S HN 0.583 nan 8.310 nan 0.000 0.523 220 A N 0.504 123.302 122.820 -0.036 0.000 2.119 220 A HA 0.414 4.734 4.320 0.000 0.000 0.216 220 A C 1.909 179.507 177.584 0.023 0.000 1.152 220 A CA 1.014 53.127 52.037 0.128 0.000 0.708 220 A CB -0.816 18.399 19.000 0.358 0.000 0.805 220 A HN 0.824 nan 8.150 nan 0.000 0.460 221 G N -2.056 106.705 108.800 -0.065 0.000 2.189 221 G HA2 -0.190 3.770 3.960 0.000 0.000 0.267 221 G HA3 -0.190 3.770 3.960 0.000 0.000 0.267 221 G C 0.440 175.350 174.900 0.017 0.000 0.975 221 G CA 1.286 46.355 45.100 -0.052 0.000 0.644 221 G HN 1.629 nan 8.290 nan 0.000 0.537 222 T N -1.969 112.652 114.554 0.112 0.000 2.830 222 T HA 0.672 5.022 4.350 0.000 0.000 0.322 222 T C -0.378 174.316 174.700 -0.011 0.000 1.501 222 T CA 0.594 62.740 62.100 0.076 0.000 1.036 222 T CB 1.074 69.948 68.868 0.011 0.000 1.379 222 T HN 1.688 nan 8.240 nan 0.000 0.493 223 A N 3.905 126.568 122.820 -0.261 0.000 3.078 223 A HA 0.523 4.844 4.320 0.000 0.000 0.279 223 A C 0.462 177.843 177.584 -0.339 0.000 1.594 223 A CA -0.463 51.165 52.037 -0.682 0.000 1.301 223 A CB -1.224 17.272 19.000 -0.840 0.000 1.162 223 A HN 0.779 nan 8.150 nan 0.000 0.585 224 N N -0.422 118.160 118.700 -0.196 0.000 3.100 224 N HA 0.154 4.894 4.740 0.000 0.000 0.344 224 N C 0.920 176.383 175.510 -0.077 0.000 1.413 224 N CA -0.161 52.825 53.050 -0.108 0.000 0.752 224 N CB 0.222 38.682 38.487 -0.045 0.000 1.519 224 N HN 0.212 nan 8.380 nan 0.000 0.620 225 E N -0.083 120.089 120.200 -0.046 0.000 2.160 225 E HA -0.162 4.188 4.350 0.000 0.000 0.195 225 E C 1.326 177.917 176.600 -0.014 0.000 0.991 225 E CA 1.111 57.491 56.400 -0.034 0.000 0.810 225 E CB -0.274 29.412 29.700 -0.024 0.000 0.742 225 E HN 0.571 nan 8.360 nan 0.000 0.466 226 I N 1.845 122.420 120.570 0.008 0.000 2.353 226 I HA -0.076 4.094 4.170 0.000 0.000 0.248 226 I C 2.716 178.872 176.117 0.065 0.000 1.119 226 I CA 0.992 62.301 61.300 0.015 0.000 1.417 226 I CB -1.612 36.426 38.000 0.062 0.000 1.078 226 I HN 0.135 nan 8.210 nan 0.000 0.421 227 A N 1.302 124.197 122.820 0.125 0.000 1.883 227 A HA -0.159 4.161 4.320 0.000 0.000 0.217 227 A C 2.620 180.322 177.584 0.196 0.000 1.186 227 A CA 2.247 54.422 52.037 0.230 0.000 0.624 227 A CB -0.941 18.162 19.000 0.171 0.000 0.822 227 A HN 0.390 nan 8.150 nan 0.000 0.444 228 A N -0.515 122.343 122.820 0.062 0.000 1.892 228 A HA -0.161 4.160 4.320 0.000 0.000 0.218 228 A C 2.175 179.823 177.584 0.106 0.000 1.188 228 A CA 2.007 54.071 52.037 0.045 0.000 0.631 228 A CB -0.763 18.212 19.000 -0.042 0.000 0.822 228 A HN 0.728 nan 8.150 nan 0.000 0.447 229 L N -0.375 120.876 121.223 0.047 0.000 2.012 229 L HA -0.100 4.240 4.340 0.000 0.000 0.210 229 L C 2.768 179.658 176.870 0.033 0.000 1.073 229 L CA 2.326 57.174 54.840 0.014 0.000 0.748 229 L CB -0.856 41.167 42.059 -0.060 0.000 0.891 229 L HN 0.376 nan 8.230 nan 0.000 0.431 230 A N -1.150 121.684 122.820 0.024 0.000 1.908 230 A HA -0.281 4.039 4.320 0.000 0.000 0.218 230 A C 2.271 179.977 177.584 0.203 0.000 1.181 230 A CA 1.992 54.056 52.037 0.046 0.000 0.627 230 A CB -1.193 17.899 19.000 0.153 0.000 0.818 230 A HN 0.505 nan 8.150 nan 0.000 0.445 231 F N 0.483 120.537 119.950 0.173 0.000 2.046 231 F HA -0.187 4.340 4.527 0.000 0.000 0.297 231 F C 2.428 178.363 175.800 0.226 0.000 1.123 231 F CA 2.210 60.371 58.000 0.269 0.000 1.199 231 F CB -0.404 38.694 39.000 0.163 0.000 0.972 231 F HN 0.034 nan 8.300 nan 0.000 0.474 232 V N 0.597 120.760 119.914 0.415 0.000 2.407 232 V HA -0.324 3.796 4.120 0.000 0.000 0.248 232 V C 2.063 178.252 176.094 0.158 0.000 1.055 232 V CA 2.064 64.527 62.300 0.271 0.000 1.049 232 V CB -0.813 31.105 31.823 0.159 0.000 0.662 232 V HN 0.374 nan 8.190 nan 0.000 0.455 233 N N -0.200 118.559 118.700 0.099 0.000 2.309 233 N HA -0.109 4.631 4.740 0.000 0.000 0.182 233 N C 1.861 177.368 175.510 -0.004 0.000 1.018 233 N CA 1.632 54.696 53.050 0.023 0.000 0.876 233 N CB -0.274 38.202 38.487 -0.018 0.000 0.972 233 N HN 0.471 nan 8.380 nan 0.000 0.434 234 T N 0.594 115.155 114.554 0.012 0.000 2.770 234 T HA -0.007 4.343 4.350 0.000 0.000 0.258 234 T C 2.191 176.893 174.700 0.003 0.000 1.039 234 T CA 0.690 62.717 62.100 -0.121 0.000 1.143 234 T CB -0.303 68.357 68.868 -0.347 0.000 0.866 234 T HN -0.094 nan 8.240 nan 0.000 0.428 235 V N 1.651 121.719 119.914 0.257 0.000 2.233 235 V HA -0.222 3.898 4.120 0.000 0.000 0.252 235 V C 2.668 178.853 176.094 0.152 0.000 1.063 235 V CA 1.807 64.293 62.300 0.310 0.000 1.032 235 V CB -0.969 31.023 31.823 0.282 0.000 0.645 235 V HN 0.302 nan 8.190 nan 0.000 0.446 236 V N -0.001 119.967 119.914 0.090 0.000 2.255 236 V HA -0.267 3.853 4.120 0.000 0.000 0.247 236 V C 2.608 178.696 176.094 -0.010 0.000 1.051 236 V CA 2.343 64.662 62.300 0.033 0.000 1.018 236 V CB -1.117 30.713 31.823 0.012 0.000 0.641 236 V HN 0.591 nan 8.190 nan 0.000 0.445 237 A N -0.696 122.096 122.820 -0.046 0.000 1.970 237 A HA -0.120 4.200 4.320 0.000 0.000 0.216 237 A C 2.333 179.857 177.584 -0.100 0.000 1.170 237 A CA 1.804 53.786 52.037 -0.090 0.000 0.645 237 A CB -0.769 18.157 19.000 -0.124 0.000 0.816 237 A HN 0.507 nan 8.150 nan 0.000 0.447 238 T N 0.582 115.076 114.554 -0.100 0.000 2.759 238 T HA -0.084 4.266 4.350 0.000 0.000 0.269 238 T C 2.167 176.821 174.700 -0.077 0.000 1.042 238 T CA 1.622 63.657 62.100 -0.110 0.000 1.140 238 T CB -0.360 68.504 68.868 -0.007 0.000 0.864 238 T HN 0.570 nan 8.240 nan 0.000 0.455 239 A N 1.338 124.139 122.820 -0.031 0.000 1.897 239 A HA 0.306 4.626 4.320 0.000 0.000 0.215 239 A C 2.660 180.231 177.584 -0.021 0.000 1.181 239 A CA 1.587 53.609 52.037 -0.024 0.000 0.620 239 A CB -1.121 17.881 19.000 0.003 0.000 0.821 239 A HN 0.490 nan 8.150 nan 0.000 0.443 240 A N 0.196 122.999 122.820 -0.028 0.000 1.851 240 A HA 0.102 4.422 4.320 0.000 0.000 0.216 240 A C 2.562 180.145 177.584 -0.003 0.000 1.195 240 A CA 2.477 54.498 52.037 -0.027 0.000 0.622 240 A CB -1.319 17.651 19.000 -0.050 0.000 0.831 240 A HN 1.166 nan 8.150 nan 0.000 0.444 241 A N -0.097 122.718 122.820 -0.008 0.000 1.903 241 A HA -0.224 4.096 4.320 0.000 0.000 0.219 241 A C 2.149 179.794 177.584 0.101 0.000 1.191 241 A CA 1.902 53.963 52.037 0.041 0.000 0.638 241 A CB -0.821 18.174 19.000 -0.008 0.000 0.823 241 A HN 0.537 nan 8.150 nan 0.000 0.451 242 I N -0.443 120.147 120.570 0.032 0.000 2.118 242 I HA -0.320 3.850 4.170 0.000 0.000 0.241 242 I C 2.375 178.564 176.117 0.119 0.000 1.070 242 I CA 1.690 63.015 61.300 0.042 0.000 1.327 242 I CB -0.337 37.649 38.000 -0.023 0.000 1.034 242 I HN 0.330 nan 8.210 nan 0.000 0.405 243 L N -0.053 121.221 121.223 0.085 0.000 2.141 243 L HA -0.080 4.260 4.340 0.000 0.000 0.209 243 L C 2.609 179.577 176.870 0.163 0.000 1.094 243 L CA 1.224 56.125 54.840 0.102 0.000 0.763 243 L CB -1.126 40.955 42.059 0.037 0.000 0.908 243 L HN 0.317 nan 8.230 nan 0.000 0.437 244 G N -0.546 108.344 108.800 0.151 0.000 2.404 244 G HA2 -0.268 3.692 3.960 0.000 0.000 0.215 244 G HA3 -0.268 3.692 3.960 0.000 0.000 0.215 244 G C 1.350 176.403 174.900 0.254 0.000 1.174 244 G CA 0.198 45.396 45.100 0.164 0.000 0.780 244 G HN 0.372 nan 8.290 nan 0.000 0.537 245 W N 1.266 122.623 121.300 0.094 0.000 2.353 245 W HA -0.112 4.548 4.660 -0.000 0.000 0.319 245 W C 2.282 178.877 176.519 0.126 0.000 1.207 245 W CA 1.034 58.438 57.345 0.099 0.000 1.291 245 W CB -0.587 28.907 29.460 0.057 0.000 1.159 245 W HN 0.093 nan 8.180 nan 0.000 0.478 246 I N 0.507 121.369 120.570 0.488 0.000 2.145 246 I HA -0.336 3.834 4.170 0.000 0.000 0.244 246 I C 2.523 178.832 176.117 0.321 0.000 1.075 246 I CA 1.874 63.385 61.300 0.352 0.000 1.332 246 I CB -1.918 36.214 38.000 0.221 0.000 1.033 246 I HN -0.038 nan 8.210 nan 0.000 0.410 247 F N 1.618 121.670 119.950 0.170 0.000 2.171 247 F HA -0.096 4.431 4.527 0.000 0.000 0.300 247 F C 2.370 178.345 175.800 0.291 0.000 1.090 247 F CA 1.671 59.783 58.000 0.185 0.000 1.293 247 F CB -0.554 38.488 39.000 0.070 0.000 1.013 247 F HN 0.039 nan 8.300 nan 0.000 0.486 248 G N -0.418 108.547 108.800 0.274 0.000 2.402 248 G HA2 -0.280 3.681 3.960 0.000 0.000 0.216 248 G HA3 -0.280 3.681 3.960 0.000 0.000 0.216 248 G C 1.518 176.406 174.900 -0.021 0.000 1.162 248 G CA 0.737 45.897 45.100 0.100 0.000 0.777 248 G HN 0.495 nan 8.290 nan 0.000 0.539 249 E N -0.661 119.565 120.200 0.044 0.000 2.106 249 E HA -0.155 4.195 4.350 0.000 0.000 0.192 249 E C 2.045 178.676 176.600 0.051 0.000 0.984 249 E CA 0.943 57.383 56.400 0.066 0.000 0.806 249 E CB -0.306 29.535 29.700 0.236 0.000 0.750 249 E HN 0.622 nan 8.360 nan 0.000 0.458 250 W N 0.825 122.050 121.300 -0.126 0.000 2.436 250 W HA -0.007 4.654 4.660 0.000 0.000 0.284 250 W C 1.989 178.345 176.519 -0.272 0.000 1.225 250 W CA 1.682 58.921 57.345 -0.176 0.000 1.271 250 W CB -0.231 29.120 29.460 -0.180 0.000 1.114 250 W HN 0.139 nan 8.180 nan 0.000 0.559 251 A N 0.866 123.463 122.820 -0.372 0.000 1.855 251 A HA -0.145 4.176 4.320 0.000 0.000 0.215 251 A C 2.088 179.398 177.584 -0.455 0.000 1.191 251 A CA 1.926 53.583 52.037 -0.634 0.000 0.613 251 A CB -1.060 17.713 19.000 -0.377 0.000 0.829 251 A HN 0.387 nan 8.150 nan 0.000 0.442 252 L N -1.592 119.476 121.223 -0.259 0.000 2.044 252 L HA -0.054 4.286 4.340 0.000 0.000 0.205 252 L C 2.465 179.226 176.870 -0.182 0.000 1.075 252 L CA 1.001 55.732 54.840 -0.181 0.000 0.747 252 L CB -0.379 41.612 42.059 -0.112 0.000 0.903 252 L HN 0.245 nan 8.230 nan 0.000 0.435 253 R N -0.372 120.030 120.500 -0.164 0.000 2.362 253 R HA 0.208 4.548 4.340 0.000 0.000 0.227 253 R C 1.254 177.461 176.300 -0.155 0.000 0.905 253 R CA 0.762 56.791 56.100 -0.117 0.000 1.067 253 R CB 0.764 31.040 30.300 -0.041 0.000 1.078 253 R HN 0.474 nan 8.270 nan 0.000 0.516 254 G N 2.153 110.779 108.800 -0.290 0.000 2.253 254 G HA2 -0.327 3.634 3.960 0.000 0.000 0.251 254 G HA3 -0.327 3.634 3.960 0.000 0.000 0.251 254 G C 0.042 174.816 174.900 -0.211 0.000 0.998 254 G CA 0.679 45.572 45.100 -0.345 0.000 0.621 254 G HN 0.427 nan 8.290 nan 0.000 0.524 255 K N -0.805 119.569 120.400 -0.043 0.000 2.598 255 K HA 0.593 4.913 4.320 0.000 0.000 0.271 255 K C -3.569 173.118 176.600 0.146 0.000 0.947 255 K CA -1.753 54.611 56.287 0.129 0.000 0.854 255 K CB 1.977 34.526 32.500 0.082 0.000 1.401 255 K HN 0.016 nan 8.250 nan 0.000 0.415 256 P HA 0.109 nan 4.420 nan 0.000 0.272 256 P C -0.935 176.423 177.300 0.097 0.000 1.240 256 P CA -0.361 62.832 63.100 0.155 0.000 0.791 256 P CB 0.916 32.696 31.700 0.133 0.000 0.978 257 S N 0.406 116.160 115.700 0.089 0.000 2.595 257 S HA 0.350 4.820 4.470 0.000 0.000 0.281 257 S C 0.507 175.109 174.600 0.004 0.000 1.117 257 S CA -0.646 57.579 58.200 0.042 0.000 0.873 257 S CB 0.902 64.134 63.200 0.053 0.000 1.108 257 S HN 0.249 nan 8.310 nan 0.000 0.477 258 L N 1.379 122.583 121.223 -0.032 0.000 2.017 258 L HA 0.100 4.440 4.340 0.000 0.000 0.208 258 L C 2.103 178.937 176.870 -0.061 0.000 1.073 258 L CA 1.862 56.664 54.840 -0.063 0.000 0.745 258 L CB -1.129 40.874 42.059 -0.094 0.000 0.894 258 L HN 0.849 nan 8.230 nan 0.000 0.432 259 L N -0.060 121.128 121.223 -0.059 0.000 2.131 259 L HA -0.022 4.318 4.340 0.000 0.000 0.210 259 L C 2.293 179.072 176.870 -0.152 0.000 1.092 259 L CA 2.000 56.788 54.840 -0.088 0.000 0.759 259 L CB -1.391 40.633 42.059 -0.058 0.000 0.903 259 L HN 0.337 nan 8.230 nan 0.000 0.435 260 G N -1.293 107.457 108.800 -0.082 0.000 2.432 260 G HA2 -0.198 3.763 3.960 0.000 0.000 0.219 260 G HA3 -0.198 3.763 3.960 0.000 0.000 0.219 260 G C 1.557 176.181 174.900 -0.461 0.000 1.135 260 G CA 0.729 45.745 45.100 -0.141 0.000 0.767 260 G HN 0.617 nan 8.290 nan 0.000 0.550 261 A N 0.083 122.782 122.820 -0.202 0.000 1.872 261 A HA -0.002 4.319 4.320 0.000 0.000 0.214 261 A C 2.571 180.022 177.584 -0.222 0.000 1.187 261 A CA 1.658 53.601 52.037 -0.155 0.000 0.614 261 A CB -0.939 18.028 19.000 -0.055 0.000 0.826 261 A HN 0.401 nan 8.150 nan 0.000 0.442 262 C N -0.130 119.071 119.300 -0.165 0.000 2.429 262 C HA -0.068 4.393 4.460 0.000 0.000 0.277 262 C C 3.225 178.064 174.990 -0.251 0.000 1.262 262 C CA 1.296 60.245 59.018 -0.114 0.000 1.733 262 C CB -1.313 26.432 27.740 0.009 0.000 2.010 262 C HN 0.615 nan 8.230 nan 0.000 0.483 263 S N 0.994 116.393 115.700 -0.502 0.000 2.382 263 S HA -0.058 4.412 4.470 0.000 0.000 0.228 263 S C 2.119 176.178 174.600 -0.903 0.000 1.027 263 S CA 1.461 59.197 58.200 -0.772 0.000 0.991 263 S CB -0.770 61.666 63.200 -1.273 0.000 0.823 263 S HN 0.757 nan 8.310 nan 0.000 0.469 264 G N 1.853 110.070 108.800 -0.972 0.000 2.459 264 G HA2 -0.125 3.835 3.960 0.000 0.000 0.217 264 G HA3 -0.125 3.835 3.960 0.000 0.000 0.217 264 G C 1.627 176.417 174.900 -0.182 0.000 1.183 264 G CA 1.025 45.929 45.100 -0.327 0.000 0.776 264 G HN 0.591 nan 8.290 nan 0.000 0.552 265 A N 0.951 123.634 122.820 -0.227 0.000 1.903 265 A HA -0.105 4.215 4.320 0.000 0.000 0.219 265 A C 2.362 179.777 177.584 -0.281 0.000 1.191 265 A CA 1.854 53.755 52.037 -0.226 0.000 0.638 265 A CB -0.386 18.477 19.000 -0.228 0.000 0.823 265 A HN 0.297 nan 8.150 nan 0.000 0.451 266 I N -0.114 120.295 120.570 -0.269 0.000 2.226 266 I HA -0.219 3.951 4.170 0.000 0.000 0.245 266 I C 2.959 178.884 176.117 -0.320 0.000 1.100 266 I CA 1.273 62.395 61.300 -0.297 0.000 1.374 266 I CB -1.771 36.104 38.000 -0.209 0.000 1.057 266 I HN 0.372 nan 8.210 nan 0.000 0.413 267 A N 1.006 123.707 122.820 -0.199 0.000 1.917 267 A HA -0.153 4.167 4.320 0.000 0.000 0.219 267 A C 2.508 179.996 177.584 -0.159 0.000 1.182 267 A CA 2.109 54.094 52.037 -0.087 0.000 0.633 267 A CB -1.332 17.770 19.000 0.170 0.000 0.819 267 A HN 0.441 nan 8.150 nan 0.000 0.448 268 G N -0.706 107.979 108.800 -0.192 0.000 2.403 268 G HA2 -0.018 3.942 3.960 0.000 0.000 0.216 268 G HA3 -0.018 3.942 3.960 0.000 0.000 0.216 268 G C 1.555 176.232 174.900 -0.372 0.000 1.154 268 G CA 0.848 45.818 45.100 -0.217 0.000 0.784 268 G HN 0.419 nan 8.290 nan 0.000 0.538 269 L N 0.240 121.094 121.223 -0.614 0.000 2.027 269 L HA -0.063 4.277 4.340 0.000 0.000 0.206 269 L C 2.993 179.363 176.870 -0.834 0.000 1.074 269 L CA 0.466 54.615 54.840 -1.153 0.000 0.745 269 L CB -0.468 40.338 42.059 -2.089 0.000 0.898 269 L HN 0.072 nan 8.230 nan 0.000 0.433 270 V N 0.144 119.714 119.914 -0.573 0.000 2.261 270 V HA -0.244 3.876 4.120 0.000 0.000 0.246 270 V C 2.628 178.575 176.094 -0.244 0.000 1.047 270 V CA 2.153 64.207 62.300 -0.410 0.000 1.015 270 V CB -1.407 30.140 31.823 -0.461 0.000 0.642 270 V HN 0.576 nan 8.190 nan 0.000 0.446 271 G N -0.941 107.741 108.800 -0.196 0.000 2.440 271 G HA2 -0.237 3.723 3.960 0.000 0.000 0.218 271 G HA3 -0.237 3.723 3.960 0.000 0.000 0.218 271 G C 1.706 176.566 174.900 -0.066 0.000 1.154 271 G CA 1.207 46.248 45.100 -0.099 0.000 0.767 271 G HN 0.386 nan 8.290 nan 0.000 0.552 272 V N 0.518 120.360 119.914 -0.120 0.000 3.041 272 V HA -0.042 4.078 4.120 0.000 0.000 0.260 272 V C 2.926 179.033 176.094 0.022 0.000 1.105 272 V CA 2.096 64.352 62.300 -0.072 0.000 1.125 272 V CB -0.445 31.296 31.823 -0.137 0.000 0.730 272 V HN 0.391 nan 8.190 nan 0.000 0.479 273 T N 1.764 116.349 114.554 0.052 0.000 2.607 273 T HA -0.121 4.229 4.350 0.000 0.000 0.267 273 T C -0.182 174.686 174.700 0.280 0.000 1.049 273 T CA 2.275 64.504 62.100 0.215 0.000 1.162 273 T CB -1.213 67.826 68.868 0.284 0.000 0.863 273 T HN 0.533 nan 8.240 nan 0.000 0.424 274 P HA 0.072 nan 4.420 nan 0.000 0.220 274 P C 0.898 178.438 177.300 0.400 0.000 1.148 274 P CA 1.159 64.468 63.100 0.348 0.000 0.803 274 P CB -0.066 31.795 31.700 0.269 0.000 0.782 275 A N -0.428 122.552 122.820 0.266 0.000 2.140 275 A HA 0.014 4.334 4.320 0.000 0.000 0.209 275 A C 2.363 179.995 177.584 0.081 0.000 1.181 275 A CA 0.659 52.843 52.037 0.244 0.000 0.824 275 A CB -1.557 17.543 19.000 0.166 0.000 0.879 275 A HN 0.367 nan 8.150 nan 0.000 0.480 276 C N -1.179 118.126 119.300 0.007 0.000 2.396 276 C HA -0.023 4.437 4.460 0.000 0.000 0.277 276 C C 2.464 177.187 174.990 -0.445 0.000 1.231 276 C CA 0.774 59.714 59.018 -0.131 0.000 1.775 276 C CB -1.761 25.965 27.740 -0.023 0.000 2.036 276 C HN 0.516 nan 8.230 nan 0.000 0.484 277 G N -2.062 106.067 108.800 -1.120 0.000 2.920 277 G HA2 0.204 4.164 3.960 0.000 0.000 0.208 277 G HA3 0.204 4.164 3.960 0.000 0.000 0.208 277 G C 0.917 175.242 174.900 -0.958 0.000 1.159 277 G CA 0.447 44.449 45.100 -1.830 0.000 0.784 277 G HN 0.670 nan 8.290 nan 0.000 0.535 278 Y N -0.192 119.963 120.300 -0.242 0.000 2.432 278 Y HA 0.369 4.919 4.550 0.000 0.000 0.252 278 Y C 1.068 176.941 175.900 -0.046 0.000 1.097 278 Y CA -1.491 56.565 58.100 -0.073 0.000 1.250 278 Y CB 0.296 38.780 38.460 0.040 0.000 1.245 278 Y HN 0.199 nan 8.280 nan 0.000 0.522 279 I N -2.043 118.575 120.570 0.080 0.000 2.863 279 I HA 0.881 5.051 4.170 0.000 0.000 0.311 279 I C 0.679 176.812 176.117 0.028 0.000 1.026 279 I CA -1.356 59.994 61.300 0.083 0.000 1.077 279 I CB 1.407 39.472 38.000 0.108 0.000 1.262 279 I HN -0.020 nan 8.210 nan 0.000 0.461 280 G N 1.329 110.156 108.800 0.045 0.000 2.539 280 G HA2 0.369 4.329 3.960 0.000 0.000 0.258 280 G HA3 0.369 4.329 3.960 0.000 0.000 0.258 280 G C 0.984 175.884 174.900 -0.001 0.000 1.202 280 G CA -0.155 44.958 45.100 0.022 0.000 0.851 280 G HN 0.976 nan 8.290 nan 0.000 0.556 281 V N 0.410 120.321 119.914 -0.005 0.000 2.392 281 V HA -0.080 4.040 4.120 0.000 0.000 0.249 281 V C 2.556 178.627 176.094 -0.038 0.000 1.059 281 V CA 2.401 64.691 62.300 -0.017 0.000 1.051 281 V CB -1.322 30.500 31.823 -0.001 0.000 0.658 281 V HN 0.773 nan 8.190 nan 0.000 0.455 282 G N 0.854 109.642 108.800 -0.021 0.000 2.476 282 G HA2 -0.155 3.805 3.960 0.000 0.000 0.218 282 G HA3 -0.155 3.805 3.960 0.000 0.000 0.218 282 G C 1.589 176.424 174.900 -0.108 0.000 1.164 282 G CA 1.041 46.123 45.100 -0.029 0.000 0.768 282 G HN 0.824 nan 8.290 nan 0.000 0.560 283 G N 0.930 109.666 108.800 -0.106 0.000 2.422 283 G HA2 0.070 4.031 3.960 0.000 0.000 0.218 283 G HA3 0.070 4.031 3.960 0.000 0.000 0.218 283 G C 2.033 176.684 174.900 -0.416 0.000 1.146 283 G CA 1.500 46.366 45.100 -0.391 0.000 0.769 283 G HN 0.676 nan 8.290 nan 0.000 0.547 284 A N 0.535 123.237 122.820 -0.196 0.000 1.877 284 A HA 0.058 4.378 4.320 0.000 0.000 0.216 284 A C 2.373 179.856 177.584 -0.168 0.000 1.186 284 A CA 1.486 53.431 52.037 -0.153 0.000 0.620 284 A CB -0.492 18.460 19.000 -0.079 0.000 0.822 284 A HN 0.403 nan 8.150 nan 0.000 0.443 285 L N -0.195 120.940 121.223 -0.146 0.000 1.994 285 L HA -0.163 4.177 4.340 0.000 0.000 0.208 285 L C 2.419 179.196 176.870 -0.155 0.000 1.071 285 L CA 1.750 56.518 54.840 -0.119 0.000 0.745 285 L CB -0.307 41.701 42.059 -0.086 0.000 0.892 285 L HN 0.446 nan 8.230 nan 0.000 0.431 286 I N -0.118 120.318 120.570 -0.223 0.000 2.236 286 I HA -0.386 3.784 4.170 0.000 0.000 0.249 286 I C 2.413 178.377 176.117 -0.256 0.000 1.102 286 I CA 1.691 62.838 61.300 -0.256 0.000 1.365 286 I CB -0.375 37.388 38.000 -0.394 0.000 1.051 286 I HN 0.351 nan 8.210 nan 0.000 0.420 287 I N 0.458 120.840 120.570 -0.314 0.000 2.233 287 I HA -0.167 4.003 4.170 0.000 0.000 0.243 287 I C 2.728 178.771 176.117 -0.123 0.000 1.093 287 I CA 1.470 62.644 61.300 -0.209 0.000 1.380 287 I CB -0.867 37.014 38.000 -0.198 0.000 1.067 287 I HN 0.241 nan 8.210 nan 0.000 0.413 288 G N 0.667 109.395 108.800 -0.119 0.000 2.545 288 G HA2 -0.258 3.702 3.960 0.000 0.000 0.217 288 G HA3 -0.258 3.702 3.960 0.000 0.000 0.217 288 G C 1.734 176.608 174.900 -0.044 0.000 1.218 288 G CA 1.096 46.148 45.100 -0.081 0.000 0.787 288 G HN 0.211 nan 8.290 nan 0.000 0.571 289 V N 0.309 120.192 119.914 -0.052 0.000 2.236 289 V HA -0.272 3.848 4.120 0.000 0.000 0.255 289 V C 3.117 179.205 176.094 -0.010 0.000 1.068 289 V CA 2.196 64.479 62.300 -0.028 0.000 1.044 289 V CB -0.536 31.257 31.823 -0.050 0.000 0.653 289 V HN 0.273 nan 8.190 nan 0.000 0.448 290 V N -0.370 119.526 119.914 -0.030 0.000 2.323 290 V HA -0.146 3.974 4.120 0.000 0.000 0.244 290 V C 2.602 178.698 176.094 0.004 0.000 1.041 290 V CA 1.708 63.998 62.300 -0.015 0.000 1.025 290 V CB -1.164 30.648 31.823 -0.017 0.000 0.656 290 V HN 0.577 nan 8.190 nan 0.000 0.451 291 A N 0.903 123.723 122.820 -0.000 0.000 1.940 291 A HA -0.132 4.189 4.320 0.000 0.000 0.219 291 A C 2.406 180.040 177.584 0.084 0.000 1.176 291 A CA 2.072 54.122 52.037 0.021 0.000 0.631 291 A CB -1.262 17.726 19.000 -0.021 0.000 0.814 291 A HN 0.534 nan 8.150 nan 0.000 0.446 292 G N -0.242 108.619 108.800 0.101 0.000 2.421 292 G HA2 -0.164 3.796 3.960 0.000 0.000 0.216 292 G HA3 -0.164 3.796 3.960 0.000 0.000 0.216 292 G C 1.551 176.536 174.900 0.142 0.000 1.171 292 G CA 1.130 46.365 45.100 0.225 0.000 0.775 292 G HN 0.453 nan 8.290 nan 0.000 0.543 293 L N 0.448 121.699 121.223 0.046 0.000 2.095 293 L HA 0.111 4.451 4.340 0.000 0.000 0.204 293 L C 3.376 180.242 176.870 -0.007 0.000 1.080 293 L CA 0.805 55.630 54.840 -0.024 0.000 0.759 293 L CB -0.390 41.677 42.059 0.013 0.000 0.914 293 L HN 0.277 nan 8.230 nan 0.000 0.439 294 A N 0.569 123.417 122.820 0.046 0.000 1.933 294 A HA -0.124 4.196 4.320 0.000 0.000 0.218 294 A C 2.400 180.107 177.584 0.206 0.000 1.175 294 A CA 1.730 53.847 52.037 0.133 0.000 0.628 294 A CB -1.268 17.773 19.000 0.068 0.000 0.814 294 A HN 0.432 nan 8.150 nan 0.000 0.444 295 G N -0.039 108.841 108.800 0.134 0.000 2.446 295 G HA2 -0.191 3.769 3.960 0.000 0.000 0.217 295 G HA3 -0.191 3.769 3.960 0.000 0.000 0.217 295 G C 1.498 176.303 174.900 -0.158 0.000 1.168 295 G CA 1.290 46.515 45.100 0.208 0.000 0.771 295 G HN 0.505 nan 8.290 nan 0.000 0.551 296 L N -0.331 120.402 121.223 -0.816 0.000 1.994 296 L HA 0.012 4.352 4.340 0.000 0.000 0.208 296 L C 2.496 179.150 176.870 -0.360 0.000 1.071 296 L CA 2.079 56.238 54.840 -1.135 0.000 0.745 296 L CB -0.886 40.439 42.059 -1.223 0.000 0.892 296 L HN 0.481 nan 8.230 nan 0.000 0.431 297 W N 0.408 121.536 121.300 -0.287 0.000 2.342 297 W HA -0.102 4.558 4.660 -0.000 0.000 0.297 297 W C 2.165 178.647 176.519 -0.061 0.000 1.213 297 W CA 2.269 59.534 57.345 -0.133 0.000 1.251 297 W CB -0.760 28.653 29.460 -0.079 0.000 1.136 297 W HN 0.227 nan 8.180 nan 0.000 0.526 298 G N 0.710 109.522 108.800 0.020 0.000 2.459 298 G HA2 -0.334 3.626 3.960 0.000 0.000 0.217 298 G HA3 -0.334 3.626 3.960 0.000 0.000 0.217 298 G C 1.445 176.237 174.900 -0.180 0.000 1.183 298 G CA 2.420 47.450 45.100 -0.118 0.000 0.776 298 G HN 0.592 nan 8.290 nan 0.000 0.552 299 V N -1.570 118.315 119.914 -0.048 0.000 2.970 299 V HA 0.004 4.124 4.120 0.000 0.000 0.260 299 V C 2.443 178.488 176.094 -0.082 0.000 1.100 299 V CA 2.297 64.606 62.300 0.016 0.000 1.122 299 V CB -0.859 31.079 31.823 0.192 0.000 0.721 299 V HN 0.225 nan 8.190 nan 0.000 0.483 300 T N 1.108 115.543 114.554 -0.199 0.000 2.951 300 T HA 0.195 4.545 4.350 0.000 0.000 0.268 300 T C 0.913 175.450 174.700 -0.272 0.000 1.073 300 T CA 1.071 63.045 62.100 -0.209 0.000 1.134 300 T CB -0.217 68.525 68.868 -0.211 0.000 0.884 300 T HN 0.353 nan 8.240 nan 0.000 0.479 311 P HA 0.175 nan 4.420 nan 0.000 0.276 311 P C 0.157 177.543 177.300 0.143 0.000 1.235 311 P CA -0.190 62.947 63.100 0.062 0.000 0.772 311 P CB 0.823 32.525 31.700 0.002 0.000 0.871 312 C N 2.375 121.771 119.300 0.160 0.000 3.860 312 C HA -0.163 4.297 4.460 0.000 0.000 0.292 312 C C 0.594 175.743 174.990 0.265 0.000 1.445 312 C CA 0.937 60.099 59.018 0.240 0.000 2.040 312 C CB -3.179 24.799 27.740 0.397 0.000 1.314 312 C HN 0.781 nan 8.230 nan 0.000 0.678 313 D N -2.287 118.242 120.400 0.215 0.000 2.702 313 D HA -0.192 4.448 4.640 0.000 0.000 0.233 313 D C 0.986 177.463 176.300 0.294 0.000 1.164 313 D CA 0.998 55.139 54.000 0.235 0.000 0.638 313 D CB -0.937 39.997 40.800 0.224 0.000 1.041 313 D HN 0.602 nan 8.370 nan 0.000 0.422 314 V N -0.368 119.726 119.914 0.300 0.000 2.231 314 V HA -0.294 3.826 4.120 0.000 0.000 0.248 314 V C 2.001 178.320 176.094 0.375 0.000 1.054 314 V CA 2.411 64.909 62.300 0.330 0.000 1.015 314 V CB -0.369 31.589 31.823 0.225 0.000 0.638 314 V HN 0.401 nan 8.190 nan 0.000 0.444 315 F N 1.359 121.432 119.950 0.206 0.000 2.113 315 F HA 0.058 4.586 4.527 0.001 0.000 0.297 315 F C 2.227 178.147 175.800 0.200 0.000 1.103 315 F CA 1.835 59.956 58.000 0.201 0.000 1.248 315 F CB -1.004 38.085 39.000 0.147 0.000 0.999 315 F HN 0.230 nan 8.300 nan 0.000 0.475 316 G N -0.318 108.690 108.800 0.347 0.000 2.550 316 G HA2 -0.262 3.698 3.960 0.000 0.000 0.222 316 G HA3 -0.262 3.698 3.960 0.000 0.000 0.222 316 G C 1.450 176.440 174.900 0.150 0.000 1.113 316 G CA 1.682 46.921 45.100 0.232 0.000 0.748 316 G HN 0.391 nan 8.290 nan 0.000 0.585 317 V N -1.311 118.689 119.914 0.143 0.000 2.854 317 V HA 0.095 4.215 4.120 0.000 0.000 0.236 317 V C 2.240 178.291 176.094 -0.070 0.000 1.157 317 V CA 0.761 63.103 62.300 0.069 0.000 1.187 317 V CB -0.425 31.437 31.823 0.066 0.000 0.949 317 V HN 0.348 nan 8.190 nan 0.000 0.488 318 H N 0.627 119.723 119.070 0.042 0.000 2.363 318 H HA -0.016 4.541 4.556 0.000 0.000 0.301 318 H C 2.326 177.611 175.328 -0.073 0.000 1.074 318 H CA 1.702 57.790 56.048 0.066 0.000 1.354 318 H CB -0.224 29.656 29.762 0.198 0.000 1.397 318 H HN 0.475 nan 8.280 nan 0.000 0.516 319 G N 0.587 109.241 108.800 -0.243 0.000 2.414 319 G HA2 -0.170 3.790 3.960 0.000 0.000 0.215 319 G HA3 -0.170 3.790 3.960 0.000 0.000 0.215 319 G C 1.945 176.422 174.900 -0.705 0.000 1.188 319 G CA 0.950 45.576 45.100 -0.791 0.000 0.783 319 G HN 0.201 nan 8.290 nan 0.000 0.537 320 V N 0.670 120.175 119.914 -0.682 0.000 2.233 320 V HA -0.243 3.877 4.120 0.000 0.000 0.247 320 V C 3.094 179.148 176.094 -0.066 0.000 1.050 320 V CA 2.017 64.199 62.300 -0.197 0.000 1.010 320 V CB -0.757 31.095 31.823 0.048 0.000 0.637 320 V HN 0.510 nan 8.190 nan 0.000 0.444 321 C N 0.516 119.780 119.300 -0.061 0.000 2.440 321 C HA 0.021 4.482 4.460 0.000 0.000 0.278 321 C C 2.891 177.861 174.990 -0.033 0.000 1.295 321 C CA 0.434 59.429 59.018 -0.037 0.000 1.738 321 C CB -1.716 25.984 27.740 -0.067 0.000 1.987 321 C HN 0.705 nan 8.230 nan 0.000 0.492 322 G N 0.920 109.706 108.800 -0.023 0.000 2.433 322 G HA2 -0.181 3.779 3.960 0.000 0.000 0.216 322 G HA3 -0.181 3.779 3.960 0.000 0.000 0.216 322 G C 1.482 176.416 174.900 0.057 0.000 1.186 322 G CA 0.829 45.958 45.100 0.048 0.000 0.779 322 G HN 0.516 nan 8.290 nan 0.000 0.543 323 I N 0.323 120.917 120.570 0.039 0.000 2.151 323 I HA -0.222 3.948 4.170 0.000 0.000 0.243 323 I C 2.814 178.965 176.117 0.057 0.000 1.080 323 I CA 0.805 62.141 61.300 0.059 0.000 1.339 323 I CB -0.328 37.712 38.000 0.066 0.000 1.039 323 I HN 0.053 nan 8.210 nan 0.000 0.409 324 V N 0.903 120.841 119.914 0.040 0.000 2.261 324 V HA -0.226 3.894 4.120 0.000 0.000 0.246 324 V C 2.607 178.737 176.094 0.059 0.000 1.047 324 V CA 2.282 64.607 62.300 0.042 0.000 1.015 324 V CB -1.376 30.462 31.823 0.025 0.000 0.642 324 V HN 0.576 nan 8.190 nan 0.000 0.446 325 G N -1.198 107.632 108.800 0.050 0.000 2.446 325 G HA2 -0.302 3.659 3.960 0.000 0.000 0.217 325 G HA3 -0.302 3.659 3.960 0.000 0.000 0.217 325 G C 1.763 176.731 174.900 0.114 0.000 1.168 325 G CA 1.432 46.574 45.100 0.070 0.000 0.771 325 G HN 0.533 nan 8.290 nan 0.000 0.551 326 C N 0.601 119.967 119.300 0.109 0.000 2.429 326 C HA 0.008 4.468 4.460 0.000 0.000 0.277 326 C C 2.810 177.865 174.990 0.109 0.000 1.262 326 C CA 0.312 59.401 59.018 0.118 0.000 1.733 326 C CB -0.779 27.020 27.740 0.099 0.000 2.010 326 C HN 0.411 nan 8.230 nan 0.000 0.483 327 I N 0.438 121.064 120.570 0.094 0.000 2.252 327 I HA -0.187 3.983 4.170 0.000 0.000 0.245 327 I C 2.350 178.541 176.117 0.123 0.000 1.102 327 I CA 1.814 63.165 61.300 0.085 0.000 1.385 327 I CB -1.076 36.964 38.000 0.068 0.000 1.064 327 I HN 0.397 nan 8.210 nan 0.000 0.414 328 M N -0.142 119.556 119.600 0.164 0.000 2.562 328 M HA -0.080 4.401 4.480 0.000 0.000 0.257 328 M C 2.010 178.519 176.300 0.348 0.000 1.099 328 M CA 0.943 56.408 55.300 0.276 0.000 1.099 328 M CB -0.432 32.326 32.600 0.264 0.000 1.427 328 M HN 0.182 nan 8.290 nan 0.000 0.489 329 T N 0.134 114.839 114.554 0.250 0.000 2.812 329 T HA -0.058 4.292 4.350 0.000 0.000 0.264 329 T C 1.731 176.586 174.700 0.259 0.000 1.042 329 T CA 1.556 63.815 62.100 0.264 0.000 1.140 329 T CB -0.396 68.619 68.868 0.246 0.000 0.870 329 T HN 0.607 nan 8.240 nan 0.000 0.445 330 G N 0.078 109.000 108.800 0.204 0.000 2.848 330 G HA2 0.117 4.077 3.960 0.000 0.000 0.208 330 G HA3 0.117 4.077 3.960 0.000 0.000 0.208 330 G C 1.200 176.249 174.900 0.248 0.000 1.152 330 G CA 0.140 45.361 45.100 0.202 0.000 0.789 330 G HN 0.468 nan 8.290 nan 0.000 0.531 331 I N -1.522 119.161 120.570 0.189 0.000 3.136 331 I HA 0.234 4.404 4.170 0.000 0.000 0.262 331 I C 1.520 177.555 176.117 -0.136 0.000 1.132 331 I CA 0.139 61.438 61.300 -0.001 0.000 1.450 331 I CB 0.094 37.953 38.000 -0.235 0.000 1.315 331 I HN -0.002 nan 8.210 nan 0.000 0.460 332 F N 1.226 121.235 119.950 0.099 0.000 2.811 332 F HA 0.166 4.693 4.527 0.000 0.000 0.301 332 F C 2.311 178.085 175.800 -0.043 0.000 1.151 332 F CA 0.524 58.539 58.000 0.025 0.000 1.412 332 F CB -0.425 38.593 39.000 0.031 0.000 1.113 332 F HN -0.021 nan 8.300 nan 0.000 0.579 333 A N 0.547 123.379 122.820 0.020 0.000 2.014 333 A HA 0.238 4.558 4.320 0.000 0.000 0.218 333 A C 1.705 178.932 177.584 -0.596 0.000 1.163 333 A CA 0.562 52.490 52.037 -0.182 0.000 0.652 333 A CB -0.994 17.925 19.000 -0.135 0.000 0.808 333 A HN 0.165 nan 8.150 nan 0.000 0.449 334 A N 0.852 123.152 122.820 -0.866 0.000 2.600 334 A HA 0.232 4.553 4.320 0.000 0.000 0.244 334 A C 1.624 178.985 177.584 -0.372 0.000 1.016 334 A CA 0.665 52.229 52.037 -0.789 0.000 0.778 334 A CB -0.143 18.662 19.000 -0.325 0.000 0.920 334 A HN 1.151 nan 8.150 nan 0.000 0.513 335 S N 2.406 117.923 115.700 -0.305 0.000 2.399 335 S HA -0.179 4.291 4.470 0.000 0.000 0.231 335 S C 1.825 176.374 174.600 -0.085 0.000 1.022 335 S CA 1.392 59.506 58.200 -0.143 0.000 0.983 335 S CB -0.676 62.466 63.200 -0.096 0.000 0.803 335 S HN 0.913 nan 8.310 nan 0.000 0.480 336 S N 2.783 118.432 115.700 -0.084 0.000 2.387 336 S HA 0.004 4.475 4.470 0.000 0.000 0.230 336 S C 1.427 176.008 174.600 -0.033 0.000 1.035 336 S CA 1.325 59.498 58.200 -0.045 0.000 1.014 336 S CB -0.631 62.548 63.200 -0.036 0.000 0.836 336 S HN 0.540 nan 8.310 nan 0.000 0.466 337 L N 0.924 122.120 121.223 -0.046 0.000 2.791 337 L HA 0.381 4.722 4.340 0.000 0.000 0.239 337 L C 1.491 178.405 176.870 0.074 0.000 1.203 337 L CA 0.148 54.999 54.840 0.019 0.000 1.002 337 L CB -0.335 41.705 42.059 -0.031 0.000 1.295 337 L HN 0.502 nan 8.230 nan 0.000 0.504 338 G N -0.187 108.625 108.800 0.021 0.000 2.157 338 G HA2 -0.230 3.730 3.960 0.000 0.000 0.248 338 G HA3 -0.230 3.730 3.960 0.000 0.000 0.248 338 G C 0.555 175.464 174.900 0.014 0.000 0.979 338 G CA -0.121 44.993 45.100 0.023 0.000 0.650 338 G HN 0.536 nan 8.290 nan 0.000 0.529 339 G N -0.890 107.904 108.800 -0.010 0.000 2.580 339 G HA2 0.577 4.537 3.960 0.000 0.000 0.278 339 G HA3 0.577 4.537 3.960 0.000 0.000 0.278 339 G C 1.419 176.293 174.900 -0.044 0.000 1.212 339 G CA 0.591 45.679 45.100 -0.021 0.000 0.939 339 G HN 1.357 nan 8.290 nan 0.000 0.513 340 V N -1.803 118.107 119.914 -0.007 0.000 3.241 340 V HA 0.418 4.538 4.120 0.000 0.000 0.269 340 V C 1.186 177.264 176.094 -0.026 0.000 1.151 340 V CA 0.698 63.006 62.300 0.014 0.000 1.158 340 V CB -1.556 30.325 31.823 0.097 0.000 0.764 340 V HN 2.228 nan 8.190 nan 0.000 0.508 341 G N -0.589 108.126 108.800 -0.141 0.000 2.719 341 G HA2 -0.094 3.866 3.960 0.000 0.000 0.686 341 G HA3 -0.094 3.866 3.960 0.000 0.000 0.686 341 G C -0.796 173.986 174.900 -0.197 0.000 1.201 341 G CA -0.433 44.543 45.100 -0.208 0.000 0.768 341 G HN 0.405 nan 8.290 nan 0.000 0.629 342 F N 1.233 121.190 119.950 0.013 0.000 2.403 342 F HA 0.641 5.168 4.527 0.000 0.000 0.320 342 F C 1.454 177.259 175.800 0.008 0.000 1.176 342 F CA 0.326 58.325 58.000 -0.002 0.000 1.206 342 F CB 0.448 39.447 39.000 -0.001 0.000 1.235 342 F HN 0.973 nan 8.300 nan 0.000 0.565 343 A N 0.736 123.687 122.820 0.218 0.000 2.492 343 A HA 0.141 4.461 4.320 0.000 0.000 0.236 343 A C 0.153 177.798 177.584 0.102 0.000 1.078 343 A CA -0.589 51.522 52.037 0.122 0.000 0.773 343 A CB -0.361 18.692 19.000 0.089 0.000 1.023 343 A HN 0.763 nan 8.150 nan 0.000 0.504 344 E N 0.220 120.456 120.200 0.060 0.000 2.418 344 E HA 0.357 4.707 4.350 0.000 0.000 0.261 344 E C 1.136 177.739 176.600 0.005 0.000 1.070 344 E CA 0.407 56.829 56.400 0.037 0.000 0.931 344 E CB 0.105 29.818 29.700 0.022 0.000 0.954 344 E HN 1.381 nan 8.360 nan 0.000 0.439 345 G N 1.254 110.049 108.800 -0.009 0.000 2.196 345 G HA2 -0.321 3.639 3.960 0.000 0.000 0.268 345 G HA3 -0.321 3.639 3.960 0.000 0.000 0.268 345 G C 0.275 175.114 174.900 -0.102 0.000 0.975 345 G CA 0.394 45.461 45.100 -0.056 0.000 0.648 345 G HN 0.390 nan 8.290 nan 0.000 0.538 346 V N 2.894 122.777 119.914 -0.051 0.000 2.334 346 V HA 0.500 4.621 4.120 0.000 0.000 0.267 346 V C 1.156 177.202 176.094 -0.079 0.000 1.040 346 V CA 0.012 62.259 62.300 -0.089 0.000 0.866 346 V CB 0.711 32.524 31.823 -0.016 0.000 1.019 346 V HN 0.628 nan 8.190 nan 0.000 0.468 347 T N 2.114 116.601 114.554 -0.113 0.000 2.860 347 T HA 0.180 4.530 4.350 0.000 0.000 0.299 347 T C 1.314 175.777 174.700 -0.396 0.000 1.045 347 T CA -0.282 61.745 62.100 -0.120 0.000 1.071 347 T CB 0.868 69.697 68.868 -0.065 0.000 0.985 347 T HN 0.564 nan 8.240 nan 0.000 0.537 348 M N 1.549 120.907 119.600 -0.403 0.000 2.106 348 M HA -0.051 4.429 4.480 0.000 0.000 0.259 348 M C 2.263 178.353 176.300 -0.350 0.000 1.068 348 M CA 2.392 57.335 55.300 -0.595 0.000 1.100 348 M CB -1.086 31.498 32.600 -0.027 0.000 1.351 348 M HN 0.947 nan 8.290 nan 0.000 0.404 349 G N -1.374 107.322 108.800 -0.173 0.000 2.442 349 G HA2 -0.320 3.640 3.960 0.000 0.000 0.219 349 G HA3 -0.320 3.640 3.960 0.000 0.000 0.219 349 G C 1.163 176.003 174.900 -0.101 0.000 1.141 349 G CA 1.514 46.551 45.100 -0.104 0.000 0.763 349 G HN 0.685 nan 8.290 nan 0.000 0.554 350 H N -0.383 118.573 119.070 -0.190 0.000 2.363 350 H HA -0.012 4.545 4.556 0.000 0.000 0.301 350 H C 2.575 177.793 175.328 -0.183 0.000 1.074 350 H CA 1.850 57.804 56.048 -0.156 0.000 1.354 350 H CB -0.019 29.659 29.762 -0.139 0.000 1.397 350 H HN 0.313 nan 8.280 nan 0.000 0.516 351 Q N 0.540 120.174 119.800 -0.275 0.000 2.084 351 Q HA -0.092 4.248 4.340 0.000 0.000 0.202 351 Q C 2.326 178.188 176.000 -0.229 0.000 0.978 351 Q CA 1.698 57.316 55.803 -0.308 0.000 0.844 351 Q CB -0.431 27.982 28.738 -0.542 0.000 0.898 351 Q HN 0.616 nan 8.270 nan 0.000 0.426 352 L N -0.548 120.552 121.223 -0.204 0.000 2.083 352 L HA -0.168 4.173 4.340 0.000 0.000 0.209 352 L C 2.162 178.966 176.870 -0.110 0.000 1.083 352 L CA 0.686 55.457 54.840 -0.115 0.000 0.752 352 L CB -0.436 41.572 42.059 -0.085 0.000 0.899 352 L HN 0.308 nan 8.230 nan 0.000 0.433 353 L N -0.760 120.370 121.223 -0.155 0.000 2.046 353 L HA -0.151 4.190 4.340 0.000 0.000 0.208 353 L C 2.325 179.099 176.870 -0.159 0.000 1.077 353 L CA 1.591 56.344 54.840 -0.144 0.000 0.747 353 L CB -0.327 41.634 42.059 -0.163 0.000 0.896 353 L HN -0.084 nan 8.230 nan 0.000 0.432 354 V N -0.352 119.417 119.914 -0.241 0.000 2.407 354 V HA -0.262 3.858 4.120 0.000 0.000 0.248 354 V C 2.670 178.706 176.094 -0.097 0.000 1.055 354 V CA 1.486 63.673 62.300 -0.189 0.000 1.049 354 V CB -0.629 31.053 31.823 -0.236 0.000 0.662 354 V HN 0.506 nan 8.190 nan 0.000 0.455 355 Q N -0.121 119.634 119.800 -0.075 0.000 2.002 355 Q HA -0.160 4.181 4.340 0.000 0.000 0.204 355 Q C 2.297 178.289 176.000 -0.014 0.000 0.988 355 Q CA 1.729 57.519 55.803 -0.022 0.000 0.843 355 Q CB -0.856 27.884 28.738 0.003 0.000 0.908 355 Q HN 0.519 nan 8.270 nan 0.000 0.420 356 L N 0.752 121.962 121.223 -0.021 0.000 2.043 356 L HA -0.258 4.082 4.340 0.000 0.000 0.212 356 L C 2.397 179.263 176.870 -0.007 0.000 1.075 356 L CA 1.529 56.365 54.840 -0.005 0.000 0.752 356 L CB -0.420 41.632 42.059 -0.012 0.000 0.891 356 L HN 0.307 nan 8.230 nan 0.000 0.432 357 E N -0.631 119.549 120.200 -0.033 0.000 2.077 357 E HA -0.186 4.164 4.350 0.000 0.000 0.193 357 E C 2.314 178.896 176.600 -0.029 0.000 0.989 357 E CA 1.487 57.866 56.400 -0.035 0.000 0.800 357 E CB -0.028 29.632 29.700 -0.067 0.000 0.746 357 E HN 0.360 nan 8.360 nan 0.000 0.452 358 S N 0.679 116.356 115.700 -0.039 0.000 2.359 358 S HA -0.168 4.302 4.470 0.000 0.000 0.224 358 S C 2.024 176.621 174.600 -0.006 0.000 1.035 358 S CA 0.932 59.108 58.200 -0.041 0.000 1.018 358 S CB -0.239 62.935 63.200 -0.043 0.000 0.876 358 S HN 0.193 nan 8.310 nan 0.000 0.448 359 I N 1.800 122.383 120.570 0.021 0.000 2.118 359 I HA -0.288 3.882 4.170 0.000 0.000 0.241 359 I C 2.737 178.901 176.117 0.078 0.000 1.070 359 I CA 1.318 62.653 61.300 0.058 0.000 1.327 359 I CB -0.576 37.465 38.000 0.069 0.000 1.034 359 I HN 0.279 nan 8.210 nan 0.000 0.405 360 A N 0.885 123.744 122.820 0.065 0.000 1.883 360 A HA -0.208 4.112 4.320 0.000 0.000 0.217 360 A C 2.292 179.935 177.584 0.098 0.000 1.186 360 A CA 1.789 53.873 52.037 0.078 0.000 0.624 360 A CB -0.973 18.060 19.000 0.055 0.000 0.822 360 A HN 0.415 nan 8.150 nan 0.000 0.444 361 I N -0.335 120.284 120.570 0.081 0.000 2.286 361 I HA -0.230 3.940 4.170 0.000 0.000 0.248 361 I C 2.571 178.787 176.117 0.166 0.000 1.115 361 I CA 1.748 63.122 61.300 0.123 0.000 1.392 361 I CB -0.500 37.540 38.000 0.066 0.000 1.065 361 I HN 0.290 nan 8.210 nan 0.000 0.418 362 T N 0.986 115.597 114.554 0.095 0.000 2.701 362 T HA -0.084 4.266 4.350 0.000 0.000 0.263 362 T C 1.956 176.780 174.700 0.208 0.000 1.040 362 T CA 1.278 63.442 62.100 0.106 0.000 1.147 362 T CB -0.291 68.608 68.868 0.052 0.000 0.865 362 T HN 0.211 nan 8.240 nan 0.000 0.426 363 I N 1.096 121.782 120.570 0.194 0.000 2.118 363 I HA -0.192 3.978 4.170 0.000 0.000 0.241 363 I C 2.491 178.735 176.117 0.213 0.000 1.070 363 I CA 1.220 62.650 61.300 0.218 0.000 1.327 363 I CB -0.502 37.612 38.000 0.191 0.000 1.034 363 I HN 0.103 nan 8.210 nan 0.000 0.405 364 V N -0.186 119.842 119.914 0.189 0.000 2.379 364 V HA -0.251 3.869 4.120 0.000 0.000 0.245 364 V C 2.082 178.300 176.094 0.206 0.000 1.044 364 V CA 1.491 63.885 62.300 0.157 0.000 1.036 364 V CB -0.755 31.135 31.823 0.112 0.000 0.664 364 V HN 0.599 nan 8.190 nan 0.000 0.453 365 W N 0.999 122.340 121.300 0.069 0.000 2.354 365 W HA -0.214 4.448 4.660 0.003 0.000 0.315 365 W C 2.899 179.481 176.519 0.105 0.000 1.206 365 W CA 2.368 59.749 57.345 0.060 0.000 1.290 365 W CB -0.580 28.901 29.460 0.034 0.000 1.152 365 W HN 0.378 nan 8.180 nan 0.000 0.489 366 S N 0.339 116.347 115.700 0.513 0.000 2.399 366 S HA -0.087 4.383 4.470 0.000 0.000 0.231 366 S C 2.035 176.933 174.600 0.496 0.000 1.022 366 S CA 1.978 60.507 58.200 0.548 0.000 0.983 366 S CB -0.836 62.715 63.200 0.585 0.000 0.803 366 S HN 0.275 nan 8.310 nan 0.000 0.480 367 G N 1.214 110.219 108.800 0.343 0.000 2.511 367 G HA2 -0.163 3.797 3.960 0.000 0.000 0.216 367 G HA3 -0.163 3.797 3.960 0.000 0.000 0.216 367 G C 1.494 176.548 174.900 0.256 0.000 1.218 367 G CA 1.222 46.479 45.100 0.263 0.000 0.788 367 G HN 0.459 nan 8.290 nan 0.000 0.560 368 V N 0.599 120.604 119.914 0.151 0.000 2.231 368 V HA -0.231 3.889 4.120 0.000 0.000 0.248 368 V C 3.072 179.287 176.094 0.203 0.000 1.054 368 V CA 1.848 64.215 62.300 0.112 0.000 1.015 368 V CB -0.888 30.901 31.823 -0.057 0.000 0.638 368 V HN 0.239 nan 8.190 nan 0.000 0.444 369 V N 0.231 120.233 119.914 0.146 0.000 2.287 369 V HA -0.303 3.817 4.120 0.000 0.000 0.248 369 V C 2.734 179.038 176.094 0.349 0.000 1.053 369 V CA 2.154 64.560 62.300 0.177 0.000 1.027 369 V CB -1.338 30.558 31.823 0.121 0.000 0.646 369 V HN 0.581 nan 8.190 nan 0.000 0.447 370 A N -0.158 122.987 122.820 0.542 0.000 1.859 370 A HA -0.307 4.013 4.320 0.000 0.000 0.217 370 A C 2.139 180.010 177.584 0.477 0.000 1.198 370 A CA 2.379 54.763 52.037 0.579 0.000 0.629 370 A CB -0.909 18.451 19.000 0.599 0.000 0.830 370 A HN 0.542 nan 8.150 nan 0.000 0.446 371 F N 0.657 120.804 119.950 0.329 0.000 2.120 371 F HA -0.212 4.314 4.527 -0.002 0.000 0.300 371 F C 1.952 177.876 175.800 0.208 0.000 1.095 371 F CA 1.958 60.122 58.000 0.273 0.000 1.249 371 F CB -0.273 38.822 39.000 0.159 0.000 0.995 371 F HN 0.210 nan 8.300 nan 0.000 0.480 372 I N 0.090 120.758 120.570 0.164 0.000 2.226 372 I HA -0.221 3.949 4.170 0.000 0.000 0.245 372 I C 2.795 178.903 176.117 -0.015 0.000 1.100 372 I CA 1.354 62.659 61.300 0.008 0.000 1.374 372 I CB -1.380 36.657 38.000 0.062 0.000 1.057 372 I HN 0.297 nan 8.210 nan 0.000 0.413 373 G N 0.271 109.104 108.800 0.055 0.000 2.480 373 G HA2 -0.269 3.691 3.960 0.000 0.000 0.216 373 G HA3 -0.269 3.691 3.960 0.000 0.000 0.216 373 G C 1.464 176.409 174.900 0.077 0.000 1.200 373 G CA 0.766 45.898 45.100 0.054 0.000 0.782 373 G HN 0.250 nan 8.290 nan 0.000 0.554 374 Y N 1.156 121.582 120.300 0.210 0.000 2.224 374 Y HA -0.026 4.523 4.550 -0.001 0.000 0.289 374 Y C 2.870 178.727 175.900 -0.071 0.000 1.146 374 Y CA 1.179 59.301 58.100 0.038 0.000 1.182 374 Y CB -0.112 38.328 38.460 -0.032 0.000 0.983 374 Y HN 0.025 nan 8.280 nan 0.000 0.524 375 K N -0.149 120.209 120.400 -0.071 0.000 2.057 375 K HA -0.152 4.168 4.320 0.000 0.000 0.206 375 K C 2.140 178.692 176.600 -0.080 0.000 1.050 375 K CA 0.937 57.109 56.287 -0.192 0.000 0.935 375 K CB -0.879 31.328 32.500 -0.488 0.000 0.715 375 K HN 0.277 nan 8.250 nan 0.000 0.439 376 L N 1.221 122.415 121.223 -0.049 0.000 1.976 376 L HA -0.122 4.218 4.340 0.000 0.000 0.209 376 L C 2.263 179.142 176.870 0.015 0.000 1.071 376 L CA 2.145 56.975 54.840 -0.016 0.000 0.746 376 L CB -1.009 41.044 42.059 -0.010 0.000 0.890 376 L HN 0.160 nan 8.230 nan 0.000 0.432 377 A N -0.685 122.166 122.820 0.051 0.000 1.915 377 A HA -0.362 3.958 4.320 0.000 0.000 0.220 377 A C 2.165 179.782 177.584 0.054 0.000 1.198 377 A CA 2.347 54.430 52.037 0.076 0.000 0.647 377 A CB -1.258 17.824 19.000 0.136 0.000 0.825 377 A HN 0.617 nan 8.150 nan 0.000 0.456 378 D N -0.271 120.156 120.400 0.045 0.000 2.117 378 D HA -0.091 4.549 4.640 0.000 0.000 0.197 378 D C 1.721 178.026 176.300 0.008 0.000 0.987 378 D CA 1.232 55.245 54.000 0.022 0.000 0.829 378 D CB -0.230 40.574 40.800 0.007 0.000 0.961 378 D HN 0.466 nan 8.370 nan 0.000 0.460 379 L N -0.612 120.611 121.223 -0.000 0.000 2.492 379 L HA 0.047 4.387 4.340 0.000 0.000 0.223 379 L C 2.010 178.881 176.870 0.003 0.000 1.132 379 L CA 0.621 55.460 54.840 -0.003 0.000 0.850 379 L CB -0.062 41.990 42.059 -0.012 0.000 0.966 379 L HN -0.013 nan 8.230 nan 0.000 0.454 380 T N -0.982 113.578 114.554 0.010 0.000 2.980 380 T HA -0.006 4.344 4.350 0.000 0.000 0.239 380 T C 1.555 176.264 174.700 0.015 0.000 1.011 380 T CA 1.268 63.375 62.100 0.012 0.000 1.171 380 T CB 0.215 69.093 68.868 0.017 0.000 0.873 380 T HN 0.226 nan 8.240 nan 0.000 0.431 381 V N -1.882 118.047 119.914 0.024 0.000 3.562 381 V HA 0.687 4.807 4.120 0.000 0.000 0.270 381 V C 0.805 176.915 176.094 0.026 0.000 1.418 381 V CA 0.242 62.558 62.300 0.026 0.000 1.033 381 V CB -0.435 31.410 31.823 0.036 0.000 0.820 381 V HN 0.687 nan 8.190 nan 0.000 0.441 382 G N 0.648 109.464 108.800 0.026 0.000 2.777 382 G HA2 -0.148 3.813 3.960 0.000 0.000 0.686 382 G HA3 -0.148 3.813 3.960 0.000 0.000 0.686 382 G C -0.190 174.727 174.900 0.028 0.000 1.177 382 G CA -0.107 45.005 45.100 0.020 0.000 0.775 382 G HN 0.383 nan 8.290 nan 0.000 0.613 383 L N 2.032 123.266 121.223 0.018 0.000 2.156 383 L HA 0.048 4.389 4.340 0.000 0.000 0.208 383 L C 2.404 179.275 176.870 0.001 0.000 1.095 383 L CA 1.121 55.970 54.840 0.015 0.000 0.770 383 L CB -0.424 41.629 42.059 -0.010 0.000 0.914 383 L HN 0.844 nan 8.230 nan 0.000 0.439 384 R N -0.763 119.734 120.500 -0.006 0.000 3.895 384 R HA -0.219 4.121 4.340 0.000 0.000 0.431 384 R C 0.293 176.581 176.300 -0.020 0.000 0.241 384 R CA 1.571 57.667 56.100 -0.007 0.000 1.369 384 R CB -1.760 28.546 30.300 0.009 0.000 1.017 384 R HN 0.148 nan 8.270 nan 0.000 0.556 385 V N 1.017 120.922 119.914 -0.016 0.000 3.133 385 V HA 0.397 4.517 4.120 0.000 0.000 0.305 385 V C -1.395 174.699 176.094 -0.000 0.000 1.084 385 V CA -1.082 61.218 62.300 -0.000 0.000 1.089 385 V CB 0.013 31.835 31.823 -0.002 0.000 1.073 385 V HN 0.595 nan 8.190 nan 0.000 0.477 386 P HA 0.000 nan 4.420 nan 0.000 0.216 386 P CA 0.000 63.103 63.100 0.005 0.000 0.800 386 P CB 0.000 31.707 31.700 0.012 0.000 0.726