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 2npj_1_A DATA FIRST_RESID 3 DATA SEQUENCE AVADKADNAF MMICTALVLF MTIPGIALFY GGLIRGKNVL SMLTQVTVTF DATA SEQUENCE ALVCILWVVY GYSLAFGEGN NFFGNINWLM LKNIELTAVM GSIYQYIHVA DATA SEQUENCE FQGSFACITV GLIVGALAER IRFSAVLIFV VVWLTLSYIP IAHMVWGGGL DATA SEQUENCE LASHGALDFA GGTVVHINAA IAGLVGAYLX XXXXXXXXXX XXPHNLPMVF DATA SEQUENCE TGTAILYIGW FGFNAGSAGT ANEIAALAFV NTVVATAAAI LGWIFGEWAL DATA SEQUENCE RGKPSLLGAC SGAIAGLVGV TPACGYIGVG GALIIGVVAG LAGLWGVTML DATA SEQUENCE XXXXXXXXPC DVFGVFGVCG 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 0.000 177.558 177.584 -0.043 0.000 1.274 3 A CA 0.000 52.020 52.037 -0.029 0.000 0.836 3 A CB 0.000 18.982 19.000 -0.031 0.000 0.831 4 V N 2.258 122.134 119.914 -0.062 0.000 2.667 4 V HA 0.850 4.970 4.120 0.000 0.000 0.308 4 V C 0.679 176.675 176.094 -0.164 0.000 1.048 4 V CA 0.086 62.334 62.300 -0.087 0.000 0.928 4 V CB 1.722 33.513 31.823 -0.054 0.000 1.004 4 V HN 2.090 nan 8.190 nan 0.000 0.444 5 A N 4.241 126.886 122.820 -0.292 0.000 2.388 5 A HA 0.398 4.718 4.320 0.000 0.000 0.257 5 A C -0.058 177.367 177.584 -0.265 0.000 1.095 5 A CA -0.220 51.548 52.037 -0.448 0.000 0.791 5 A CB 0.232 18.541 19.000 -1.151 0.000 1.029 5 A HN 0.886 nan 8.150 nan 0.000 0.489 6 D N 1.936 122.216 120.400 -0.199 0.000 2.329 6 D HA 0.201 4.841 4.640 0.000 0.000 0.232 6 D C 0.641 176.888 176.300 -0.089 0.000 1.088 6 D CA -0.314 53.618 54.000 -0.113 0.000 0.835 6 D CB 0.974 41.723 40.800 -0.085 0.000 1.078 6 D HN 0.528 nan 8.370 nan 0.000 0.495 7 K N 2.276 122.646 120.400 -0.049 0.000 2.152 7 K HA -0.139 4.181 4.320 0.000 0.000 0.206 7 K C 1.821 178.426 176.600 0.009 0.000 1.048 7 K CA 1.298 57.583 56.287 -0.004 0.000 0.933 7 K CB 0.128 32.639 32.500 0.018 0.000 0.721 7 K HN 0.457 nan 8.250 nan 0.000 0.447 8 A N 1.632 124.449 122.820 -0.006 0.000 1.930 8 A HA -0.186 4.134 4.320 0.000 0.000 0.217 8 A C 1.531 179.136 177.584 0.036 0.000 1.175 8 A CA 1.769 53.808 52.037 0.004 0.000 0.627 8 A CB -0.273 18.708 19.000 -0.031 0.000 0.815 8 A HN 0.157 nan 8.150 nan 0.000 0.443 9 D N 0.046 120.454 120.400 0.013 0.000 2.149 9 D HA -0.098 4.542 4.640 0.000 0.000 0.201 9 D C 1.579 177.919 176.300 0.065 0.000 0.972 9 D CA 0.883 54.913 54.000 0.050 0.000 0.835 9 D CB -0.373 40.419 40.800 -0.013 0.000 0.966 9 D HN 0.320 nan 8.370 nan 0.000 0.476 10 N N 1.086 119.800 118.700 0.024 0.000 2.084 10 N HA -0.121 4.620 4.740 0.000 0.000 0.190 10 N C 1.788 177.340 175.510 0.070 0.000 1.030 10 N CA 1.363 54.439 53.050 0.044 0.000 0.849 10 N CB -0.407 38.123 38.487 0.072 0.000 1.012 10 N HN 0.119 nan 8.380 nan 0.000 0.423 11 A N 0.758 123.627 122.820 0.083 0.000 1.858 11 A HA -0.149 4.171 4.320 0.000 0.000 0.216 11 A C 2.161 179.820 177.584 0.125 0.000 1.190 11 A CA 1.145 53.237 52.037 0.091 0.000 0.617 11 A CB -1.089 17.963 19.000 0.085 0.000 0.827 11 A HN 0.273 nan 8.150 nan 0.000 0.443 12 F N 0.251 120.195 119.950 -0.009 0.000 2.095 12 F HA -0.213 4.315 4.527 0.000 0.000 0.298 12 F C 2.256 178.046 175.800 -0.017 0.000 1.104 12 F CA 2.032 60.028 58.000 -0.006 0.000 1.232 12 F CB -0.227 38.761 39.000 -0.020 0.000 0.987 12 F HN 0.105 nan 8.300 nan 0.000 0.475 13 M N -0.696 118.844 119.600 -0.099 0.000 2.229 13 M HA -0.173 4.308 4.480 0.000 0.000 0.264 13 M C 2.249 178.470 176.300 -0.131 0.000 1.063 13 M CA 1.379 56.520 55.300 -0.264 0.000 1.114 13 M CB -1.166 31.302 32.600 -0.220 0.000 1.387 13 M HN 0.293 nan 8.290 nan 0.000 0.420 14 M N -0.433 119.146 119.600 -0.035 0.000 2.156 14 M HA -0.143 4.338 4.480 0.000 0.000 0.264 14 M C 1.941 178.244 176.300 0.004 0.000 1.067 14 M CA 1.043 56.352 55.300 0.015 0.000 1.131 14 M CB -0.208 32.414 32.600 0.037 0.000 1.368 14 M HN 0.108 nan 8.290 nan 0.000 0.416 15 I N -0.140 120.415 120.570 -0.025 0.000 2.252 15 I HA -0.262 3.908 4.170 0.000 0.000 0.245 15 I C 2.495 178.590 176.117 -0.037 0.000 1.102 15 I CA 1.254 62.541 61.300 -0.022 0.000 1.385 15 I CB -1.540 36.461 38.000 0.001 0.000 1.064 15 I HN 0.388 nan 8.210 nan 0.000 0.414 16 C N 0.672 119.885 119.300 -0.145 0.000 2.425 16 C HA -0.154 4.306 4.460 0.000 0.000 0.277 16 C C 2.994 178.082 174.990 0.164 0.000 1.280 16 C CA 1.406 60.385 59.018 -0.066 0.000 1.744 16 C CB -1.166 26.399 27.740 -0.293 0.000 1.989 16 C HN 0.531 nan 8.230 nan 0.000 0.491 17 T N 1.049 115.721 114.554 0.196 0.000 2.777 17 T HA -0.105 4.245 4.350 0.000 0.000 0.266 17 T C 2.138 176.904 174.700 0.109 0.000 1.040 17 T CA 1.608 63.846 62.100 0.231 0.000 1.141 17 T CB -0.397 68.593 68.868 0.204 0.000 0.868 17 T HN 0.641 nan 8.240 nan 0.000 0.444 18 A N 1.175 124.040 122.820 0.075 0.000 1.933 18 A HA 0.018 4.338 4.320 0.000 0.000 0.218 18 A C 2.303 179.930 177.584 0.072 0.000 1.175 18 A CA 1.160 53.226 52.037 0.049 0.000 0.628 18 A CB -0.861 18.141 19.000 0.004 0.000 0.814 18 A HN 0.466 nan 8.150 nan 0.000 0.444 19 L N -0.551 120.726 121.223 0.091 0.000 2.046 19 L HA -0.166 4.174 4.340 0.000 0.000 0.208 19 L C 2.502 179.465 176.870 0.154 0.000 1.077 19 L CA 1.105 56.045 54.840 0.166 0.000 0.747 19 L CB -0.430 41.727 42.059 0.165 0.000 0.896 19 L HN 0.267 nan 8.230 nan 0.000 0.432 20 V N -0.170 119.786 119.914 0.070 0.000 2.427 20 V HA -0.255 3.866 4.120 0.000 0.000 0.248 20 V C 2.340 178.410 176.094 -0.040 0.000 1.051 20 V CA 1.365 63.630 62.300 -0.058 0.000 1.048 20 V CB -0.342 31.348 31.823 -0.222 0.000 0.666 20 V HN 0.343 nan 8.190 nan 0.000 0.456 21 L N -1.136 120.110 121.223 0.039 0.000 2.083 21 L HA -0.184 4.157 4.340 0.000 0.000 0.209 21 L C 2.407 179.319 176.870 0.070 0.000 1.083 21 L CA 1.551 56.439 54.840 0.081 0.000 0.752 21 L CB -0.629 41.511 42.059 0.136 0.000 0.899 21 L HN 0.330 nan 8.230 nan 0.000 0.433 22 F N 0.662 120.568 119.950 -0.074 0.000 2.216 22 F HA -0.217 4.311 4.527 0.000 0.000 0.300 22 F C 2.351 178.088 175.800 -0.106 0.000 1.085 22 F CA 1.292 59.243 58.000 -0.080 0.000 1.326 22 F CB -0.334 38.644 39.000 -0.037 0.000 1.027 22 F HN 0.010 nan 8.300 nan 0.000 0.497 23 M N -1.026 118.510 119.600 -0.107 0.000 2.159 23 M HA -0.199 4.281 4.480 0.000 0.000 0.263 23 M C 1.844 178.002 176.300 -0.235 0.000 1.063 23 M CA 2.131 57.277 55.300 -0.256 0.000 1.110 23 M CB -0.633 31.778 32.600 -0.314 0.000 1.374 23 M HN 0.013 nan 8.290 nan 0.000 0.411 24 T N 0.086 114.529 114.554 -0.185 0.000 2.901 24 T HA 0.169 4.519 4.350 0.000 0.000 0.252 24 T C 0.840 175.394 174.700 -0.243 0.000 1.035 24 T CA 0.602 62.592 62.100 -0.184 0.000 1.142 24 T CB 0.340 69.123 68.868 -0.140 0.000 0.869 24 T HN 0.053 nan 8.240 nan 0.000 0.442 25 I N 3.386 123.778 120.570 -0.297 0.000 2.388 25 I HA 0.280 4.450 4.170 0.000 0.000 0.281 25 I C -2.158 173.926 176.117 -0.056 0.000 1.046 25 I CA -2.458 58.680 61.300 -0.271 0.000 1.187 25 I CB 1.129 38.821 38.000 -0.513 0.000 1.351 25 I HN 0.071 nan 8.210 nan 0.000 0.472 26 P HA 0.179 nan 4.420 nan 0.000 0.282 26 P C 1.285 178.493 177.300 -0.155 0.000 1.373 26 P CA 0.128 63.162 63.100 -0.110 0.000 1.001 26 P CB 1.038 32.712 31.700 -0.044 0.000 1.489 27 G N 2.143 110.781 108.800 -0.270 0.000 2.764 27 G HA2 -0.335 3.626 3.960 0.000 0.000 0.219 27 G HA3 -0.335 3.626 3.960 0.000 0.000 0.219 27 G C 1.315 176.140 174.900 -0.126 0.000 1.259 27 G CA 1.256 46.199 45.100 -0.263 0.000 0.793 27 G HN 0.275 nan 8.290 nan 0.000 0.633 28 I N 1.851 122.352 120.570 -0.116 0.000 2.361 28 I HA -0.005 4.165 4.170 0.000 0.000 0.251 28 I C 3.018 179.206 176.117 0.117 0.000 1.133 28 I CA 1.298 62.579 61.300 -0.032 0.000 1.413 28 I CB -0.442 37.539 38.000 -0.033 0.000 1.073 28 I HN 0.247 nan 8.210 nan 0.000 0.424 29 A N -0.020 122.837 122.820 0.061 0.000 1.902 29 A HA -0.141 4.180 4.320 0.000 0.000 0.217 29 A C 2.283 179.922 177.584 0.091 0.000 1.181 29 A CA 1.688 53.778 52.037 0.089 0.000 0.623 29 A CB -0.865 18.145 19.000 0.017 0.000 0.818 29 A HN 0.464 nan 8.150 nan 0.000 0.443 30 L N -2.291 118.957 121.223 0.040 0.000 2.109 30 L HA -0.082 4.258 4.340 0.000 0.000 0.207 30 L C 2.435 179.318 176.870 0.022 0.000 1.086 30 L CA 1.157 56.009 54.840 0.021 0.000 0.760 30 L CB -0.520 41.529 42.059 -0.016 0.000 0.910 30 L HN 0.483 nan 8.230 nan 0.000 0.437 31 F N 0.256 120.131 119.950 -0.124 0.000 2.046 31 F HA -0.317 4.210 4.527 0.000 0.000 0.297 31 F C 2.381 178.074 175.800 -0.178 0.000 1.123 31 F CA 1.801 59.680 58.000 -0.201 0.000 1.199 31 F CB -0.400 38.412 39.000 -0.314 0.000 0.972 31 F HN -0.067 nan 8.300 nan 0.000 0.474 32 Y N 0.423 120.770 120.300 0.079 0.000 2.293 32 Y HA 0.015 4.566 4.550 0.001 0.000 0.291 32 Y C 2.689 178.557 175.900 -0.053 0.000 1.137 32 Y CA 1.029 59.116 58.100 -0.023 0.000 1.202 32 Y CB -1.331 37.152 38.460 0.038 0.000 0.990 32 Y HN 0.149 nan 8.280 nan 0.000 0.537 33 G N -0.623 108.255 108.800 0.130 0.000 2.450 33 G HA2 -0.233 3.728 3.960 0.000 0.000 0.220 33 G HA3 -0.233 3.728 3.960 0.000 0.000 0.220 33 G C 1.968 176.916 174.900 0.081 0.000 1.130 33 G CA 1.035 46.196 45.100 0.101 0.000 0.760 33 G HN 0.519 nan 8.290 nan 0.000 0.557 34 G N -0.129 108.623 108.800 -0.081 0.000 2.777 34 G HA2 0.172 4.132 3.960 0.000 0.000 0.211 34 G HA3 0.172 4.132 3.960 0.000 0.000 0.211 34 G C 1.623 176.403 174.900 -0.201 0.000 1.149 34 G CA 0.066 45.017 45.100 -0.249 0.000 0.785 34 G HN 0.418 nan 8.290 nan 0.000 0.536 35 L N 0.529 121.682 121.223 -0.116 0.000 2.202 35 L HA 0.329 4.670 4.340 0.000 0.000 0.205 35 L C 1.551 178.457 176.870 0.060 0.000 1.083 35 L CA 0.037 54.832 54.840 -0.076 0.000 0.790 35 L CB -0.191 41.778 42.059 -0.150 0.000 0.942 35 L HN 0.278 nan 8.230 nan 0.000 0.452 36 I N -1.848 118.788 120.570 0.110 0.000 2.886 36 I HA 0.293 4.463 4.170 0.000 0.000 0.299 36 I C 0.653 176.797 176.117 0.045 0.000 1.044 36 I CA -0.880 60.462 61.300 0.070 0.000 1.310 36 I CB 0.554 38.573 38.000 0.033 0.000 1.441 36 I HN -0.071 nan 8.210 nan 0.000 0.578 37 R N 2.594 123.061 120.500 -0.056 0.000 2.585 37 R HA 0.133 4.474 4.340 0.000 0.000 0.275 37 R C 1.242 177.338 176.300 -0.341 0.000 1.018 37 R CA 1.223 57.220 56.100 -0.171 0.000 1.072 37 R CB 0.681 30.917 30.300 -0.107 0.000 0.953 37 R HN 0.898 nan 8.270 nan 0.000 0.419 38 G N 4.379 112.800 108.800 -0.632 0.000 2.469 38 G HA2 -0.384 3.577 3.960 0.000 0.000 0.219 38 G HA3 -0.384 3.577 3.960 0.000 0.000 0.219 38 G C 0.902 175.659 174.900 -0.239 0.000 1.150 38 G CA 1.283 46.019 45.100 -0.607 0.000 0.763 38 G HN 0.814 nan 8.290 nan 0.000 0.561 39 K N -0.070 120.230 120.400 -0.167 0.000 2.360 39 K HA 0.012 4.332 4.320 0.000 0.000 0.201 39 K C 1.357 177.917 176.600 -0.067 0.000 1.046 39 K CA 1.292 57.525 56.287 -0.091 0.000 0.945 39 K CB -0.068 32.390 32.500 -0.071 0.000 0.750 39 K HN 0.179 nan 8.250 nan 0.000 0.464 40 N N 0.614 119.266 118.700 -0.080 0.000 2.254 40 N HA 0.026 4.766 4.740 0.000 0.000 0.190 40 N C 1.477 176.967 175.510 -0.033 0.000 1.107 40 N CA 0.185 53.204 53.050 -0.051 0.000 0.869 40 N CB 0.545 38.999 38.487 -0.055 0.000 0.983 40 N HN -0.019 nan 8.380 nan 0.000 0.487 41 V N 1.759 121.653 119.914 -0.033 0.000 2.287 41 V HA -0.207 3.914 4.120 0.000 0.000 0.248 41 V C 2.390 178.495 176.094 0.019 0.000 1.053 41 V CA 1.401 63.707 62.300 0.010 0.000 1.027 41 V CB -0.523 31.325 31.823 0.042 0.000 0.646 41 V HN 0.243 nan 8.190 nan 0.000 0.447 42 L N -0.121 121.113 121.223 0.017 0.000 2.012 42 L HA -0.203 4.138 4.340 0.000 0.000 0.210 42 L C 2.730 179.625 176.870 0.042 0.000 1.073 42 L CA 2.018 56.877 54.840 0.032 0.000 0.748 42 L CB -0.833 41.244 42.059 0.031 0.000 0.891 42 L HN 0.401 nan 8.230 nan 0.000 0.431 43 S N -0.341 115.380 115.700 0.034 0.000 2.368 43 S HA -0.222 4.248 4.470 0.000 0.000 0.225 43 S C 2.038 176.635 174.600 -0.005 0.000 1.030 43 S CA 1.352 59.579 58.200 0.045 0.000 0.999 43 S CB -0.167 63.051 63.200 0.030 0.000 0.844 43 S HN 0.320 nan 8.310 nan 0.000 0.459 44 M N 1.001 120.585 119.600 -0.027 0.000 2.117 44 M HA -0.027 4.454 4.480 0.000 0.000 0.262 44 M C 1.883 178.166 176.300 -0.030 0.000 1.065 44 M CA 1.559 56.825 55.300 -0.058 0.000 1.114 44 M CB -1.001 31.570 32.600 -0.049 0.000 1.361 44 M HN 0.401 nan 8.290 nan 0.000 0.408 45 L N -0.412 120.817 121.223 0.011 0.000 2.083 45 L HA -0.207 4.133 4.340 0.000 0.000 0.209 45 L C 2.283 179.178 176.870 0.042 0.000 1.083 45 L CA 1.635 56.491 54.840 0.027 0.000 0.752 45 L CB -1.145 40.936 42.059 0.037 0.000 0.899 45 L HN 0.310 nan 8.230 nan 0.000 0.433 46 T N -1.060 113.536 114.554 0.070 0.000 2.737 46 T HA -0.210 4.140 4.350 0.000 0.000 0.265 46 T C 1.904 176.683 174.700 0.131 0.000 1.038 46 T CA 1.198 63.390 62.100 0.154 0.000 1.144 46 T CB -0.175 68.848 68.868 0.258 0.000 0.866 46 T HN 0.365 nan 8.240 nan 0.000 0.434 47 Q N 0.253 119.998 119.800 -0.092 0.000 2.084 47 Q HA -0.071 4.269 4.340 0.000 0.000 0.202 47 Q C 2.602 178.536 176.000 -0.109 0.000 0.978 47 Q CA 1.123 56.715 55.803 -0.353 0.000 0.844 47 Q CB -0.412 28.017 28.738 -0.514 0.000 0.898 47 Q HN 0.346 nan 8.270 nan 0.000 0.426 48 V N 0.544 120.432 119.914 -0.044 0.000 2.343 48 V HA -0.242 3.878 4.120 0.000 0.000 0.247 48 V C 2.173 178.318 176.094 0.085 0.000 1.051 48 V CA 2.133 64.441 62.300 0.014 0.000 1.036 48 V CB -0.714 31.114 31.823 0.009 0.000 0.654 48 V HN 0.430 nan 8.190 nan 0.000 0.451 49 T N -0.181 114.426 114.554 0.089 0.000 2.737 49 T HA -0.132 4.218 4.350 0.000 0.000 0.265 49 T C 1.936 176.775 174.700 0.232 0.000 1.038 49 T CA 1.585 63.770 62.100 0.142 0.000 1.144 49 T CB -0.165 68.767 68.868 0.107 0.000 0.866 49 T HN 0.284 nan 8.240 nan 0.000 0.434 50 V N 2.358 122.402 119.914 0.217 0.000 2.358 50 V HA -0.159 3.961 4.120 0.000 0.000 0.246 50 V C 3.020 179.235 176.094 0.201 0.000 1.047 50 V CA 2.092 64.538 62.300 0.243 0.000 1.035 50 V CB -1.308 30.749 31.823 0.389 0.000 0.658 50 V HN 0.722 nan 8.190 nan 0.000 0.452 51 T N -1.700 112.953 114.554 0.165 0.000 2.951 51 T HA -0.194 4.156 4.350 0.000 0.000 0.268 51 T C 1.794 176.577 174.700 0.138 0.000 1.073 51 T CA 1.456 63.633 62.100 0.129 0.000 1.134 51 T CB -0.562 68.357 68.868 0.086 0.000 0.884 51 T HN 0.396 nan 8.240 nan 0.000 0.479 52 F N 2.897 122.864 119.950 0.029 0.000 2.102 52 F HA 0.163 4.691 4.527 0.000 0.000 0.298 52 F C 2.596 178.407 175.800 0.019 0.000 1.105 52 F CA 0.937 58.943 58.000 0.009 0.000 1.239 52 F CB -0.914 38.090 39.000 0.006 0.000 0.991 52 F HN 0.248 nan 8.300 nan 0.000 0.474 53 A N 0.660 123.501 122.820 0.035 0.000 1.883 53 A HA -0.187 4.133 4.320 0.000 0.000 0.217 53 A C 2.146 179.678 177.584 -0.088 0.000 1.186 53 A CA 1.817 53.814 52.037 -0.066 0.000 0.624 53 A CB -1.394 17.659 19.000 0.088 0.000 0.822 53 A HN 0.542 nan 8.150 nan 0.000 0.444 54 L N 0.009 121.229 121.223 -0.006 0.000 2.012 54 L HA -0.131 4.209 4.340 0.000 0.000 0.210 54 L C 2.380 179.229 176.870 -0.034 0.000 1.073 54 L CA 2.073 56.919 54.840 0.010 0.000 0.748 54 L CB -0.597 41.502 42.059 0.066 0.000 0.891 54 L HN 0.155 nan 8.230 nan 0.000 0.431 55 V N -1.142 118.729 119.914 -0.073 0.000 2.343 55 V HA -0.351 3.769 4.120 0.000 0.000 0.247 55 V C 2.665 178.685 176.094 -0.123 0.000 1.051 55 V CA 1.844 64.090 62.300 -0.090 0.000 1.036 55 V CB -0.844 30.904 31.823 -0.124 0.000 0.654 55 V HN 0.656 nan 8.190 nan 0.000 0.451 56 C N -0.110 119.030 119.300 -0.266 0.000 2.413 56 C HA -0.173 4.287 4.460 0.000 0.000 0.276 56 C C 2.595 177.547 174.990 -0.063 0.000 1.236 56 C CA 0.723 59.604 59.018 -0.228 0.000 1.735 56 C CB -1.002 26.511 27.740 -0.378 0.000 2.031 56 C HN 0.476 nan 8.230 nan 0.000 0.474 57 I N 0.671 121.200 120.570 -0.069 0.000 2.202 57 I HA -0.124 4.046 4.170 0.000 0.000 0.242 57 I C 2.417 178.499 176.117 -0.059 0.000 1.091 57 I CA 1.646 62.925 61.300 -0.036 0.000 1.368 57 I CB -1.483 36.506 38.000 -0.018 0.000 1.058 57 I HN 0.357 nan 8.210 nan 0.000 0.410 58 L N -0.806 120.363 121.223 -0.090 0.000 2.079 58 L HA -0.249 4.091 4.340 0.000 0.000 0.210 58 L C 2.622 179.261 176.870 -0.386 0.000 1.081 58 L CA 1.402 56.066 54.840 -0.295 0.000 0.752 58 L CB -0.591 41.335 42.059 -0.222 0.000 0.896 58 L HN 0.459 nan 8.230 nan 0.000 0.433 59 W N 0.540 121.668 121.300 -0.287 0.000 2.354 59 W HA -0.200 4.460 4.660 -0.000 0.000 0.315 59 W C 2.203 178.661 176.519 -0.102 0.000 1.206 59 W CA 1.720 58.964 57.345 -0.167 0.000 1.290 59 W CB 0.021 29.421 29.460 -0.100 0.000 1.152 59 W HN -0.066 nan 8.180 nan 0.000 0.489 60 V N 0.411 120.317 119.914 -0.013 0.000 2.453 60 V HA -0.281 3.840 4.120 0.000 0.000 0.247 60 V C 2.152 178.192 176.094 -0.090 0.000 1.048 60 V CA 1.513 63.764 62.300 -0.082 0.000 1.049 60 V CB -0.996 30.804 31.823 -0.038 0.000 0.672 60 V HN 0.016 nan 8.190 nan 0.000 0.457 61 V N 0.223 120.084 119.914 -0.089 0.000 2.261 61 V HA -0.240 3.880 4.120 0.000 0.000 0.246 61 V C 1.951 178.086 176.094 0.068 0.000 1.047 61 V CA 2.915 65.213 62.300 -0.003 0.000 1.015 61 V CB -0.602 31.253 31.823 0.054 0.000 0.642 61 V HN 0.881 nan 8.190 nan 0.000 0.446 62 Y N -2.333 117.952 120.300 -0.025 0.000 2.532 62 Y HA 0.544 5.094 4.550 0.001 0.000 0.282 62 Y C 1.855 177.684 175.900 -0.117 0.000 1.013 62 Y CA 0.294 58.367 58.100 -0.044 0.000 1.159 62 Y CB -0.589 37.851 38.460 -0.032 0.000 1.393 62 Y HN -0.021 nan 8.280 nan 0.000 0.580 63 G N 1.372 109.867 108.800 -0.509 0.000 2.459 63 G HA2 -0.375 3.585 3.960 0.000 0.000 0.217 63 G HA3 -0.375 3.585 3.960 0.000 0.000 0.217 63 G C 1.443 175.838 174.900 -0.842 0.000 1.183 63 G CA 1.641 46.451 45.100 -0.484 0.000 0.776 63 G HN 0.518 nan 8.290 nan 0.000 0.552 64 Y N 1.540 121.005 120.300 -1.391 0.000 2.128 64 Y HA -0.157 4.393 4.550 0.001 0.000 0.284 64 Y C 3.170 178.996 175.900 -0.123 0.000 1.154 64 Y CA 1.934 59.437 58.100 -0.994 0.000 1.149 64 Y CB -0.551 37.460 38.460 -0.748 0.000 0.976 64 Y HN 0.245 nan 8.280 nan 0.000 0.505 65 S N -0.199 115.505 115.700 0.007 0.000 2.370 65 S HA -0.183 4.287 4.470 0.000 0.000 0.226 65 S C 2.004 176.564 174.600 -0.066 0.000 1.033 65 S CA 1.710 59.982 58.200 0.120 0.000 1.011 65 S CB -0.582 62.730 63.200 0.187 0.000 0.852 65 S HN 0.538 nan 8.310 nan 0.000 0.457 66 L N 0.399 121.583 121.223 -0.064 0.000 2.313 66 L HA 0.073 4.413 4.340 0.000 0.000 0.214 66 L C 2.629 179.416 176.870 -0.139 0.000 1.119 66 L CA 0.908 55.708 54.840 -0.066 0.000 0.809 66 L CB -0.412 41.658 42.059 0.017 0.000 0.933 66 L HN 0.408 nan 8.230 nan 0.000 0.449 67 A N -0.859 121.856 122.820 -0.176 0.000 1.911 67 A HA 0.019 4.339 4.320 0.000 0.000 0.212 67 A C 1.585 178.913 177.584 -0.428 0.000 1.189 67 A CA 0.812 52.693 52.037 -0.260 0.000 0.639 67 A CB -0.222 18.687 19.000 -0.151 0.000 0.839 67 A HN 0.324 nan 8.150 nan 0.000 0.449 68 F N -0.060 119.828 119.950 -0.104 0.000 2.682 68 F HA 0.326 4.854 4.527 0.001 0.000 0.308 68 F C 1.541 177.342 175.800 0.001 0.000 1.093 68 F CA -0.267 57.711 58.000 -0.036 0.000 1.244 68 F CB 0.114 39.002 39.000 -0.186 0.000 1.052 68 F HN 0.217 nan 8.300 nan 0.000 0.573 69 G N 0.295 109.042 108.800 -0.090 0.000 2.599 69 G HA2 0.174 4.134 3.960 0.000 0.000 0.264 69 G HA3 0.174 4.134 3.960 0.000 0.000 0.264 69 G C -0.641 174.126 174.900 -0.222 0.000 1.200 69 G CA -0.407 44.398 45.100 -0.492 0.000 0.896 69 G HN 0.154 nan 8.290 nan 0.000 0.536 70 E N -0.303 119.730 120.200 -0.278 0.000 2.289 70 E HA 0.476 4.827 4.350 0.000 0.000 0.278 70 E C 0.594 177.102 176.600 -0.153 0.000 1.032 70 E CA 0.211 56.538 56.400 -0.121 0.000 0.854 70 E CB 0.790 30.425 29.700 -0.109 0.000 1.046 70 E HN 0.516 nan 8.360 nan 0.000 0.409 71 G N 3.975 112.703 108.800 -0.120 0.000 3.517 71 G HA2 0.075 4.035 3.960 0.000 0.000 0.173 71 G HA3 0.075 4.035 3.960 0.000 0.000 0.173 71 G C -0.485 174.278 174.900 -0.229 0.000 1.340 71 G CA 0.154 45.116 45.100 -0.231 0.000 1.228 71 G HN 0.642 nan 8.290 nan 0.000 0.745 72 N N -0.941 117.559 118.700 -0.334 0.000 3.369 72 N HA 0.298 5.038 4.740 0.000 0.000 0.362 72 N C 0.404 175.810 175.510 -0.175 0.000 1.523 72 N CA -0.627 52.263 53.050 -0.267 0.000 0.684 72 N CB 0.202 38.475 38.487 -0.356 0.000 1.796 72 N HN 0.089 nan 8.380 nan 0.000 0.641 73 N N -1.134 117.367 118.700 -0.331 0.000 2.396 73 N HA 0.076 4.816 4.740 0.000 0.000 0.180 73 N C 0.218 175.329 175.510 -0.665 0.000 1.028 73 N CA 0.948 53.656 53.050 -0.571 0.000 0.893 73 N CB -0.224 37.733 38.487 -0.883 0.000 0.967 73 N HN 0.440 nan 8.380 nan 0.000 0.440 74 F N -0.839 119.106 119.950 -0.009 0.000 2.592 74 F HA 0.254 4.782 4.527 0.002 0.000 0.280 74 F C 0.471 176.277 175.800 0.010 0.000 1.083 74 F CA -0.427 57.606 58.000 0.055 0.000 1.365 74 F CB 0.041 39.176 39.000 0.226 0.000 1.100 74 F HN -0.184 nan 8.300 nan 0.000 0.633 75 F N -1.357 118.480 119.950 -0.189 0.000 2.626 75 F HA 0.852 5.379 4.527 0.000 0.000 0.311 75 F C 0.401 175.649 175.800 -0.920 0.000 1.088 75 F CA -1.734 55.920 58.000 -0.578 0.000 0.949 75 F CB 0.476 39.350 39.000 -0.210 0.000 1.322 75 F HN -0.033 nan 8.300 nan 0.000 0.461 76 G N 1.073 109.479 108.800 -0.658 0.000 3.107 76 G HA2 0.381 4.341 3.960 0.000 0.000 0.155 76 G HA3 0.381 4.341 3.960 0.000 0.000 0.155 76 G C -0.885 173.932 174.900 -0.138 0.000 1.875 76 G CA 0.293 45.141 45.100 -0.419 0.000 1.004 76 G HN 1.072 nan 8.290 nan 0.000 0.480 77 N N -2.153 116.466 118.700 -0.134 0.000 3.204 77 N HA 0.392 5.132 4.740 0.000 0.000 0.285 77 N C -0.148 175.313 175.510 -0.081 0.000 1.536 77 N CA -0.505 52.493 53.050 -0.087 0.000 0.832 77 N CB 0.952 39.334 38.487 -0.175 0.000 1.645 77 N HN 0.586 nan 8.380 nan 0.000 0.586 78 I N -3.962 116.571 120.570 -0.062 0.000 3.816 78 I HA 0.468 4.638 4.170 0.000 0.000 0.334 78 I C -0.366 175.744 176.117 -0.012 0.000 1.551 78 I CA -0.552 60.735 61.300 -0.021 0.000 1.153 78 I CB -0.512 37.478 38.000 -0.017 0.000 1.197 78 I HN 0.385 nan 8.210 nan 0.000 0.439 79 N N 0.472 119.114 118.700 -0.096 0.000 2.463 79 N HA 0.007 4.747 4.740 0.000 0.000 0.181 79 N C 0.136 175.726 175.510 0.133 0.000 1.078 79 N CA 0.414 53.421 53.050 -0.071 0.000 0.902 79 N CB 0.117 38.471 38.487 -0.222 0.000 0.970 79 N HN 0.482 nan 8.380 nan 0.000 0.451 80 W N 1.248 122.584 121.300 0.060 0.000 2.764 80 W HA 0.369 5.029 4.660 0.001 0.000 0.427 80 W C -0.664 175.891 176.519 0.060 0.000 0.896 80 W CA -1.097 56.296 57.345 0.081 0.000 2.307 80 W CB -0.794 28.752 29.460 0.143 0.000 1.192 80 W HN -0.066 nan 8.180 nan 0.000 0.731 81 L N 1.931 123.292 121.223 0.229 0.000 2.513 81 L HA -0.005 4.335 4.340 0.000 0.000 0.272 81 L C 1.247 178.190 176.870 0.120 0.000 1.187 81 L CA 0.466 55.399 54.840 0.155 0.000 0.895 81 L CB 0.051 42.181 42.059 0.117 0.000 1.147 81 L HN 0.064 nan 8.230 nan 0.000 0.483 82 M N 4.646 124.294 119.600 0.080 0.000 2.682 82 M HA -0.251 4.229 4.480 0.000 0.000 0.196 82 M C 0.743 177.054 176.300 0.018 0.000 0.542 82 M CA 0.552 55.875 55.300 0.037 0.000 0.593 82 M CB -1.520 31.109 32.600 0.048 0.000 2.183 82 M HN 0.737 nan 8.290 nan 0.000 0.663 83 L N -2.282 118.954 121.223 0.020 0.000 4.429 83 L HA -0.265 4.076 4.340 0.000 0.000 0.422 83 L C 0.851 177.743 176.870 0.037 0.000 1.149 83 L CA 1.141 55.952 54.840 -0.048 0.000 0.972 83 L CB -1.474 40.422 42.059 -0.270 0.000 2.059 83 L HN 0.560 nan 8.230 nan 0.000 0.870 84 K N 1.651 122.122 120.400 0.118 0.000 2.414 84 K HA 0.015 4.335 4.320 0.000 0.000 0.272 84 K C 1.158 177.881 176.600 0.205 0.000 0.993 84 K CA 0.676 57.047 56.287 0.138 0.000 0.964 84 K CB 0.331 32.912 32.500 0.135 0.000 0.925 84 K HN 0.342 nan 8.250 nan 0.000 0.487 85 N N 0.888 119.687 118.700 0.165 0.000 2.909 85 N HA -0.216 4.524 4.740 0.000 0.000 0.242 85 N C -0.756 174.840 175.510 0.143 0.000 0.975 85 N CA 1.157 54.326 53.050 0.198 0.000 0.921 85 N CB -1.193 37.481 38.487 0.311 0.000 1.112 85 N HN 0.532 nan 8.380 nan 0.000 0.581 86 I N 1.821 122.409 120.570 0.030 0.000 2.306 86 I HA 0.114 4.284 4.170 0.000 0.000 0.288 86 I C 0.651 176.802 176.117 0.056 0.000 1.036 86 I CA -0.428 60.832 61.300 -0.066 0.000 1.221 86 I CB 1.000 38.843 38.000 -0.262 0.000 1.385 86 I HN -0.150 nan 8.210 nan 0.000 0.472 87 E N 4.213 124.434 120.200 0.036 0.000 2.392 87 E HA -0.025 4.325 4.350 0.000 0.000 0.264 87 E C 0.837 177.409 176.600 -0.045 0.000 1.024 87 E CA -0.189 56.216 56.400 0.007 0.000 0.903 87 E CB 1.476 31.184 29.700 0.013 0.000 0.963 87 E HN 0.452 nan 8.360 nan 0.000 0.432 88 L N 3.790 124.911 121.223 -0.171 0.000 2.079 88 L HA -0.191 4.149 4.340 0.000 0.000 0.210 88 L C 2.062 178.730 176.870 -0.337 0.000 1.081 88 L CA 2.411 57.002 54.840 -0.415 0.000 0.752 88 L CB -0.867 40.928 42.059 -0.440 0.000 0.896 88 L HN 0.661 nan 8.230 nan 0.000 0.433 89 T N -2.828 111.624 114.554 -0.171 0.000 3.169 89 T HA 0.407 4.757 4.350 0.000 0.000 0.250 89 T C 0.837 175.654 174.700 0.193 0.000 1.111 89 T CA 0.104 62.187 62.100 -0.029 0.000 1.010 89 T CB -0.678 68.198 68.868 0.012 0.000 0.984 89 T HN 0.384 nan 8.240 nan 0.000 0.537 90 A N 1.297 124.187 122.820 0.116 0.000 2.511 90 A HA 0.542 4.862 4.320 0.000 0.000 0.242 90 A C 0.153 177.831 177.584 0.156 0.000 1.069 90 A CA -0.359 51.744 52.037 0.111 0.000 0.763 90 A CB 0.168 19.200 19.000 0.052 0.000 1.001 90 A HN 0.388 nan 8.150 nan 0.000 0.498 91 V N 3.278 123.233 119.914 0.068 0.000 2.513 91 V HA 0.541 4.661 4.120 0.000 0.000 0.299 91 V C -0.130 175.942 176.094 -0.037 0.000 1.035 91 V CA -0.398 61.895 62.300 -0.012 0.000 0.889 91 V CB 1.494 33.269 31.823 -0.079 0.000 0.988 91 V HN 0.955 nan 8.190 nan 0.000 0.440 92 M N 4.747 124.299 119.600 -0.081 0.000 2.085 92 M HA 0.721 5.202 4.480 0.000 0.000 0.309 92 M C 0.370 176.576 176.300 -0.157 0.000 0.947 92 M CA 0.930 56.141 55.300 -0.148 0.000 0.918 92 M CB 0.541 32.970 32.600 -0.285 0.000 1.504 92 M HN 1.062 nan 8.290 nan 0.000 0.420 93 G N 3.217 111.945 108.800 -0.120 0.000 2.559 93 G HA2 -0.292 3.669 3.960 0.000 0.000 0.282 93 G HA3 -0.292 3.669 3.960 0.000 0.000 0.282 93 G C 0.314 175.158 174.900 -0.094 0.000 1.177 93 G CA 0.603 45.644 45.100 -0.098 0.000 0.960 93 G HN 1.543 nan 8.290 nan 0.000 0.540 94 S N 0.327 115.966 115.700 -0.102 0.000 2.749 94 S HA 0.628 5.099 4.470 0.000 0.000 0.246 94 S C 0.556 175.059 174.600 -0.161 0.000 1.023 94 S CA 0.554 58.684 58.200 -0.116 0.000 1.012 94 S CB -0.328 62.821 63.200 -0.086 0.000 0.942 94 S HN 1.694 nan 8.310 nan 0.000 0.531 95 I N -2.727 117.745 120.570 -0.163 0.000 3.002 95 I HA 0.699 4.870 4.170 0.000 0.000 0.310 95 I C -1.070 174.940 176.117 -0.178 0.000 1.087 95 I CA -1.793 59.398 61.300 -0.181 0.000 1.017 95 I CB 0.878 38.832 38.000 -0.076 0.000 1.226 95 I HN -0.140 nan 8.210 nan 0.000 0.443 96 Y N 1.891 122.185 120.300 -0.009 0.000 2.610 96 Y HA 0.017 4.567 4.550 0.000 0.000 0.332 96 Y C 1.702 177.616 175.900 0.024 0.000 1.201 96 Y CA 0.450 58.549 58.100 -0.002 0.000 1.465 96 Y CB 0.547 39.003 38.460 -0.007 0.000 1.283 96 Y HN 0.688 nan 8.280 nan 0.000 0.563 97 Q N 1.943 121.856 119.800 0.188 0.000 2.152 97 Q HA -0.260 4.080 4.340 0.000 0.000 0.206 97 Q C 1.226 177.276 176.000 0.083 0.000 0.985 97 Q CA 1.793 57.649 55.803 0.089 0.000 0.863 97 Q CB -0.209 28.524 28.738 -0.008 0.000 0.904 97 Q HN 0.850 nan 8.270 nan 0.000 0.422 98 Y N 0.315 120.579 120.300 -0.060 0.000 2.256 98 Y HA -0.232 4.318 4.550 0.001 0.000 0.288 98 Y C 1.894 177.762 175.900 -0.055 0.000 1.155 98 Y CA 1.310 59.347 58.100 -0.105 0.000 1.203 98 Y CB -0.100 38.307 38.460 -0.087 0.000 0.980 98 Y HN 0.198 nan 8.280 nan 0.000 0.530 99 I N -1.448 119.223 120.570 0.168 0.000 2.353 99 I HA -0.317 3.853 4.170 0.000 0.000 0.248 99 I C 2.587 178.758 176.117 0.090 0.000 1.119 99 I CA 1.444 62.812 61.300 0.114 0.000 1.417 99 I CB -0.570 37.496 38.000 0.110 0.000 1.078 99 I HN 0.321 nan 8.210 nan 0.000 0.421 100 H N 1.096 120.152 119.070 -0.025 0.000 2.353 100 H HA -0.135 4.421 4.556 0.000 0.000 0.300 100 H C 2.293 177.596 175.328 -0.042 0.000 1.090 100 H CA 1.880 57.906 56.048 -0.036 0.000 1.327 100 H CB 0.258 29.988 29.762 -0.053 0.000 1.383 100 H HN 0.112 nan 8.280 nan 0.000 0.508 101 V N 1.326 121.083 119.914 -0.261 0.000 2.261 101 V HA -0.280 3.840 4.120 0.000 0.000 0.246 101 V C 3.059 179.135 176.094 -0.030 0.000 1.047 101 V CA 1.746 63.764 62.300 -0.469 0.000 1.015 101 V CB -1.194 30.151 31.823 -0.797 0.000 0.642 101 V HN 0.589 nan 8.190 nan 0.000 0.446 102 A N -0.714 122.082 122.820 -0.040 0.000 1.898 102 A HA -0.217 4.103 4.320 0.000 0.000 0.216 102 A C 2.114 179.707 177.584 0.015 0.000 1.181 102 A CA 1.933 53.975 52.037 0.008 0.000 0.620 102 A CB -0.708 18.312 19.000 0.034 0.000 0.819 102 A HN 0.498 nan 8.150 nan 0.000 0.442 103 F N 0.707 120.593 119.950 -0.107 0.000 2.075 103 F HA -0.210 4.317 4.527 0.001 0.000 0.297 103 F C 2.555 178.277 175.800 -0.131 0.000 1.113 103 F CA 2.205 60.141 58.000 -0.107 0.000 1.218 103 F CB -0.225 38.680 39.000 -0.158 0.000 0.984 103 F HN 0.205 nan 8.300 nan 0.000 0.472 104 Q N 0.218 119.881 119.800 -0.228 0.000 2.124 104 Q HA -0.107 4.233 4.340 0.000 0.000 0.202 104 Q C 2.562 178.269 176.000 -0.488 0.000 0.977 104 Q CA 1.424 57.058 55.803 -0.283 0.000 0.850 104 Q CB -1.409 27.288 28.738 -0.068 0.000 0.901 104 Q HN 0.573 nan 8.270 nan 0.000 0.429 105 G N 1.124 109.522 108.800 -0.671 0.000 2.422 105 G HA2 -0.269 3.691 3.960 0.000 0.000 0.218 105 G HA3 -0.269 3.691 3.960 0.000 0.000 0.218 105 G C 1.666 176.134 174.900 -0.720 0.000 1.146 105 G CA 1.411 45.679 45.100 -1.385 0.000 0.769 105 G HN 0.519 nan 8.290 nan 0.000 0.547 106 S N 0.194 115.664 115.700 -0.383 0.000 2.399 106 S HA -0.035 4.435 4.470 0.000 0.000 0.231 106 S C 2.056 176.492 174.600 -0.273 0.000 1.022 106 S CA 0.995 59.047 58.200 -0.246 0.000 0.983 106 S CB -0.494 62.603 63.200 -0.171 0.000 0.803 106 S HN 0.180 nan 8.310 nan 0.000 0.480 107 F N 2.412 122.081 119.950 -0.468 0.000 2.206 107 F HA 0.259 4.786 4.527 0.000 0.000 0.298 107 F C 2.833 178.441 175.800 -0.321 0.000 1.090 107 F CA 0.387 58.212 58.000 -0.292 0.000 1.323 107 F CB -0.965 37.890 39.000 -0.242 0.000 1.028 107 F HN 0.312 nan 8.300 nan 0.000 0.492 108 A N -0.984 121.532 122.820 -0.507 0.000 1.902 108 A HA -0.192 4.129 4.320 0.000 0.000 0.217 108 A C 2.337 179.640 177.584 -0.469 0.000 1.181 108 A CA 1.776 53.225 52.037 -0.980 0.000 0.623 108 A CB -1.480 16.866 19.000 -1.091 0.000 0.818 108 A HN 0.461 nan 8.150 nan 0.000 0.443 109 C N -1.218 117.891 119.300 -0.320 0.000 2.432 109 C HA -0.110 4.350 4.460 0.000 0.000 0.277 109 C C 2.480 177.459 174.990 -0.017 0.000 1.249 109 C CA 1.164 60.123 59.018 -0.097 0.000 1.725 109 C CB -1.262 26.497 27.740 0.033 0.000 2.028 109 C HN 0.694 nan 8.230 nan 0.000 0.477 110 I N 1.163 121.686 120.570 -0.079 0.000 2.315 110 I HA -0.147 4.024 4.170 0.000 0.000 0.248 110 I C 2.348 178.443 176.117 -0.036 0.000 1.117 110 I CA 1.862 63.110 61.300 -0.087 0.000 1.404 110 I CB -0.685 37.194 38.000 -0.201 0.000 1.071 110 I HN 0.300 nan 8.210 nan 0.000 0.419 111 T N -0.144 114.415 114.554 0.008 0.000 2.684 111 T HA -0.161 4.190 4.350 0.000 0.000 0.267 111 T C 2.022 176.783 174.700 0.102 0.000 1.036 111 T CA 1.932 64.110 62.100 0.129 0.000 1.148 111 T CB -0.583 68.454 68.868 0.282 0.000 0.863 111 T HN 0.214 nan 8.240 nan 0.000 0.436 112 V N 1.364 121.325 119.914 0.080 0.000 2.427 112 V HA -0.066 4.055 4.120 0.000 0.000 0.248 112 V C 2.874 178.997 176.094 0.049 0.000 1.051 112 V CA 1.857 64.204 62.300 0.079 0.000 1.048 112 V CB -1.333 30.551 31.823 0.101 0.000 0.666 112 V HN 0.615 nan 8.190 nan 0.000 0.456 113 G N -0.176 108.654 108.800 0.051 0.000 2.422 113 G HA2 -0.214 3.746 3.960 0.000 0.000 0.218 113 G HA3 -0.214 3.746 3.960 0.000 0.000 0.218 113 G C 1.579 176.528 174.900 0.083 0.000 1.146 113 G CA 0.874 46.008 45.100 0.056 0.000 0.769 113 G HN 0.463 nan 8.290 nan 0.000 0.547 114 L N -0.076 121.180 121.223 0.055 0.000 2.042 114 L HA -0.088 4.253 4.340 0.000 0.000 0.210 114 L C 2.841 179.846 176.870 0.224 0.000 1.076 114 L CA 0.931 55.825 54.840 0.090 0.000 0.749 114 L CB -0.358 41.626 42.059 -0.125 0.000 0.893 114 L HN 0.246 nan 8.230 nan 0.000 0.432 115 I N -1.350 119.281 120.570 0.102 0.000 2.235 115 I HA -0.194 3.976 4.170 0.000 0.000 0.241 115 I C 2.429 178.539 176.117 -0.011 0.000 1.085 115 I CA 0.729 62.063 61.300 0.058 0.000 1.378 115 I CB -0.331 37.568 38.000 -0.169 0.000 1.076 115 I HN -0.055 nan 8.210 nan 0.000 0.415 116 V N 1.380 121.263 119.914 -0.051 0.000 2.343 116 V HA -0.223 3.897 4.120 0.000 0.000 0.247 116 V C 2.644 178.605 176.094 -0.222 0.000 1.051 116 V CA 2.219 64.454 62.300 -0.107 0.000 1.036 116 V CB -1.566 30.224 31.823 -0.055 0.000 0.654 116 V HN 0.595 nan 8.190 nan 0.000 0.451 117 G N -0.444 108.182 108.800 -0.290 0.000 2.442 117 G HA2 -0.226 3.734 3.960 0.000 0.000 0.219 117 G HA3 -0.226 3.734 3.960 0.000 0.000 0.219 117 G C 1.706 175.917 174.900 -1.148 0.000 1.141 117 G CA 1.183 45.931 45.100 -0.587 0.000 0.763 117 G HN 0.629 nan 8.290 nan 0.000 0.554 118 A N 0.145 122.216 122.820 -1.248 0.000 1.898 118 A HA 0.309 4.629 4.320 0.000 0.000 0.214 118 A C 2.305 179.709 177.584 -0.300 0.000 1.183 118 A CA 0.830 52.388 52.037 -0.799 0.000 0.622 118 A CB -0.213 18.497 19.000 -0.483 0.000 0.824 118 A HN 0.321 nan 8.150 nan 0.000 0.444 119 L N -0.730 120.379 121.223 -0.191 0.000 2.509 119 L HA 0.052 4.393 4.340 0.000 0.000 0.222 119 L C 2.822 179.597 176.870 -0.159 0.000 1.123 119 L CA 0.458 55.214 54.840 -0.140 0.000 0.856 119 L CB -0.371 41.608 42.059 -0.133 0.000 0.985 119 L HN 0.408 nan 8.230 nan 0.000 0.456 120 A N 0.501 123.208 122.820 -0.189 0.000 1.927 120 A HA -0.289 4.031 4.320 0.000 0.000 0.220 120 A C 2.179 179.682 177.584 -0.135 0.000 1.185 120 A CA 1.984 53.914 52.037 -0.178 0.000 0.639 120 A CB -0.441 18.446 19.000 -0.188 0.000 0.820 120 A HN 0.455 nan 8.150 nan 0.000 0.451 121 E N -0.929 119.199 120.200 -0.119 0.000 2.130 121 E HA -0.224 4.126 4.350 0.000 0.000 0.196 121 E C 2.013 178.567 176.600 -0.076 0.000 0.998 121 E CA 1.535 57.883 56.400 -0.086 0.000 0.806 121 E CB -0.089 29.563 29.700 -0.079 0.000 0.738 121 E HN 0.682 nan 8.360 nan 0.000 0.459 122 R N -0.532 119.916 120.500 -0.088 0.000 2.365 122 R HA 0.302 4.642 4.340 0.000 0.000 0.223 122 R C 0.685 176.935 176.300 -0.082 0.000 0.899 122 R CA -0.142 55.909 56.100 -0.082 0.000 1.059 122 R CB 0.741 30.985 30.300 -0.093 0.000 1.086 122 R HN 0.065 nan 8.270 nan 0.000 0.522 123 I N 1.238 121.756 120.570 -0.087 0.000 2.460 123 I HA 0.238 4.408 4.170 0.000 0.000 0.298 123 I C -0.075 176.019 176.117 -0.038 0.000 0.989 123 I CA -1.286 59.972 61.300 -0.070 0.000 1.173 123 I CB 1.364 39.311 38.000 -0.087 0.000 1.338 123 I HN -0.004 nan 8.210 nan 0.000 0.456 124 R N 4.666 125.167 120.500 0.002 0.000 2.623 124 R HA -0.019 4.321 4.340 0.000 0.000 0.271 124 R C 0.436 176.794 176.300 0.096 0.000 1.043 124 R CA 0.110 56.243 56.100 0.055 0.000 1.083 124 R CB 0.454 30.791 30.300 0.061 0.000 0.974 124 R HN 0.689 nan 8.270 nan 0.000 0.436 125 F N 2.410 122.369 119.950 0.015 0.000 2.065 125 F HA -0.287 4.240 4.527 -0.000 0.000 0.298 125 F C 2.471 178.294 175.800 0.038 0.000 1.112 125 F CA 2.557 60.572 58.000 0.025 0.000 1.212 125 F CB -0.385 38.629 39.000 0.022 0.000 0.975 125 F HN 0.729 nan 8.300 nan 0.000 0.476 126 S N 0.014 115.910 115.700 0.326 0.000 2.399 126 S HA -0.145 4.325 4.470 0.000 0.000 0.231 126 S C 2.222 176.921 174.600 0.165 0.000 1.022 126 S CA 0.830 59.159 58.200 0.215 0.000 0.983 126 S CB -1.159 62.117 63.200 0.126 0.000 0.803 126 S HN 0.385 nan 8.310 nan 0.000 0.480 127 A N 1.191 124.093 122.820 0.136 0.000 1.930 127 A HA 0.109 4.429 4.320 0.000 0.000 0.217 127 A C 2.398 180.068 177.584 0.143 0.000 1.175 127 A CA 1.333 53.441 52.037 0.119 0.000 0.627 127 A CB -1.095 17.957 19.000 0.087 0.000 0.815 127 A HN 0.487 nan 8.150 nan 0.000 0.443 128 V N 0.068 120.045 119.914 0.106 0.000 2.427 128 V HA -0.172 3.948 4.120 0.000 0.000 0.248 128 V C 2.368 178.563 176.094 0.168 0.000 1.051 128 V CA 1.886 64.247 62.300 0.102 0.000 1.048 128 V CB -0.415 31.381 31.823 -0.045 0.000 0.666 128 V HN 0.588 nan 8.190 nan 0.000 0.456 129 L N -0.690 120.633 121.223 0.166 0.000 2.046 129 L HA -0.167 4.174 4.340 0.000 0.000 0.208 129 L C 2.368 179.327 176.870 0.148 0.000 1.077 129 L CA 1.871 56.813 54.840 0.171 0.000 0.747 129 L CB -0.508 41.673 42.059 0.202 0.000 0.896 129 L HN 0.273 nan 8.230 nan 0.000 0.432 130 I N -0.808 119.849 120.570 0.145 0.000 2.179 130 I HA -0.333 3.837 4.170 0.000 0.000 0.242 130 I C 2.517 178.699 176.117 0.109 0.000 1.088 130 I CA 1.475 62.843 61.300 0.113 0.000 1.357 130 I CB -0.296 37.766 38.000 0.104 0.000 1.051 130 I HN 0.155 nan 8.210 nan 0.000 0.409 131 F N 1.311 121.266 119.950 0.008 0.000 2.095 131 F HA -0.221 4.306 4.527 -0.000 0.000 0.298 131 F C 2.349 178.164 175.800 0.025 0.000 1.104 131 F CA 1.654 59.621 58.000 -0.054 0.000 1.232 131 F CB -0.434 38.468 39.000 -0.164 0.000 0.987 131 F HN -0.235 nan 8.300 nan 0.000 0.475 132 V N -0.020 119.940 119.914 0.077 0.000 2.287 132 V HA -0.331 3.789 4.120 0.000 0.000 0.248 132 V C 2.433 178.536 176.094 0.016 0.000 1.053 132 V CA 1.796 64.125 62.300 0.048 0.000 1.027 132 V CB -0.875 31.035 31.823 0.146 0.000 0.646 132 V HN 0.323 nan 8.190 nan 0.000 0.447 133 V N -0.328 119.610 119.914 0.042 0.000 2.287 133 V HA -0.256 3.864 4.120 0.000 0.000 0.248 133 V C 2.392 178.501 176.094 0.025 0.000 1.053 133 V CA 2.166 64.506 62.300 0.068 0.000 1.027 133 V CB -0.553 31.319 31.823 0.081 0.000 0.646 133 V HN 0.408 nan 8.190 nan 0.000 0.447 134 V N -1.503 118.379 119.914 -0.053 0.000 2.261 134 V HA -0.280 3.840 4.120 0.000 0.000 0.246 134 V C 1.984 178.014 176.094 -0.108 0.000 1.047 134 V CA 2.446 64.695 62.300 -0.084 0.000 1.015 134 V CB -0.721 31.037 31.823 -0.108 0.000 0.642 134 V HN 0.765 nan 8.190 nan 0.000 0.446 135 W N 0.169 121.187 121.300 -0.471 0.000 2.381 135 W HA -0.140 4.520 4.660 -0.001 0.000 0.301 135 W C 2.195 178.645 176.519 -0.116 0.000 1.205 135 W CA 1.671 58.761 57.345 -0.425 0.000 1.285 135 W CB -0.202 28.694 29.460 -0.941 0.000 1.133 135 W HN 0.201 nan 8.180 nan 0.000 0.521 136 L N 0.338 121.608 121.223 0.078 0.000 2.017 136 L HA -0.176 4.164 4.340 0.000 0.000 0.208 136 L C 2.328 179.233 176.870 0.058 0.000 1.073 136 L CA 2.773 57.664 54.840 0.085 0.000 0.745 136 L CB -1.245 40.912 42.059 0.162 0.000 0.894 136 L HN -0.110 nan 8.230 nan 0.000 0.432 137 T N -0.202 114.405 114.554 0.088 0.000 2.708 137 T HA -0.122 4.228 4.350 0.000 0.000 0.266 137 T C 1.775 176.491 174.700 0.026 0.000 1.037 137 T CA 1.931 64.107 62.100 0.127 0.000 1.146 137 T CB -0.241 68.699 68.868 0.120 0.000 0.865 137 T HN 0.297 nan 8.240 nan 0.000 0.435 138 L N -0.109 121.091 121.223 -0.039 0.000 2.554 138 L HA 0.281 4.621 4.340 0.000 0.000 0.225 138 L C 2.366 179.286 176.870 0.084 0.000 1.104 138 L CA 0.303 55.145 54.840 0.004 0.000 0.866 138 L CB 0.040 42.080 42.059 -0.033 0.000 1.047 138 L HN 0.214 nan 8.230 nan 0.000 0.468 139 S N -1.329 114.230 115.700 -0.236 0.000 2.979 139 S HA -0.024 4.446 4.470 0.000 0.000 0.243 139 S C 1.762 176.024 174.600 -0.564 0.000 1.036 139 S CA -0.130 57.838 58.200 -0.388 0.000 0.846 139 S CB -0.242 62.387 63.200 -0.953 0.000 0.806 139 S HN 0.309 nan 8.310 nan 0.000 0.568 140 Y N 2.506 122.301 120.300 -0.841 0.000 2.097 140 Y HA -0.058 4.492 4.550 0.000 0.000 0.282 140 Y C 1.968 177.751 175.900 -0.194 0.000 1.152 140 Y CA 2.125 59.935 58.100 -0.483 0.000 1.136 140 Y CB -0.410 37.867 38.460 -0.305 0.000 0.975 140 Y HN 0.306 nan 8.280 nan 0.000 0.498 141 I N 0.185 120.774 120.570 0.032 0.000 2.099 141 I HA -0.279 3.891 4.170 0.000 0.000 0.239 141 I C -0.639 175.398 176.117 -0.132 0.000 1.066 141 I CA 1.625 62.959 61.300 0.056 0.000 1.324 141 I CB -1.590 36.498 38.000 0.147 0.000 1.037 141 I HN 0.221 nan 8.210 nan 0.000 0.401 142 P HA -0.127 nan 4.420 nan 0.000 0.217 142 P C 1.838 178.861 177.300 -0.461 0.000 1.150 142 P CA 1.559 64.538 63.100 -0.201 0.000 0.832 142 P CB -0.030 31.604 31.700 -0.110 0.000 0.787 143 I N -0.711 119.472 120.570 -0.645 0.000 2.315 143 I HA -0.213 3.957 4.170 0.000 0.000 0.248 143 I C 2.333 178.076 176.117 -0.624 0.000 1.117 143 I CA 1.313 62.205 61.300 -0.680 0.000 1.404 143 I CB -0.752 36.863 38.000 -0.642 0.000 1.071 143 I HN -0.088 nan 8.210 nan 0.000 0.419 144 A N 0.180 122.609 122.820 -0.652 0.000 1.902 144 A HA -0.304 4.016 4.320 0.000 0.000 0.217 144 A C 2.189 179.503 177.584 -0.449 0.000 1.181 144 A CA 2.086 53.781 52.037 -0.570 0.000 0.623 144 A CB -0.966 17.793 19.000 -0.402 0.000 0.818 144 A HN 0.508 nan 8.150 nan 0.000 0.443 145 H N -0.694 118.086 119.070 -0.483 0.000 2.353 145 H HA -0.009 4.547 4.556 0.000 0.000 0.300 145 H C 1.972 177.097 175.328 -0.339 0.000 1.090 145 H CA 2.165 57.960 56.048 -0.422 0.000 1.327 145 H CB -0.219 29.359 29.762 -0.305 0.000 1.383 145 H HN 0.407 nan 8.280 nan 0.000 0.508 146 M N -0.862 118.523 119.600 -0.358 0.000 2.159 146 M HA -0.134 4.346 4.480 0.000 0.000 0.263 146 M C 1.957 178.045 176.300 -0.354 0.000 1.063 146 M CA 1.229 56.305 55.300 -0.373 0.000 1.110 146 M CB 0.234 32.614 32.600 -0.367 0.000 1.374 146 M HN 0.216 nan 8.290 nan 0.000 0.411 147 V N -2.286 117.376 119.914 -0.419 0.000 2.492 147 V HA -0.108 4.012 4.120 0.000 0.000 0.241 147 V C 1.422 177.377 176.094 -0.232 0.000 1.041 147 V CA 1.099 63.145 62.300 -0.423 0.000 1.057 147 V CB -0.189 31.192 31.823 -0.737 0.000 0.711 147 V HN 0.553 nan 8.190 nan 0.000 0.468 148 W N 0.053 121.267 121.300 -0.143 0.000 2.998 148 W HA 0.476 5.137 4.660 0.001 0.000 0.336 148 W C 1.706 178.230 176.519 0.009 0.000 1.112 148 W CA 0.327 57.668 57.345 -0.007 0.000 1.682 148 W CB -0.169 29.376 29.460 0.142 0.000 1.065 148 W HN 0.320 nan 8.180 nan 0.000 0.570 149 G N -0.305 108.429 108.800 -0.110 0.000 3.605 149 G HA2 0.371 4.331 3.960 0.000 0.000 0.277 149 G HA3 0.371 4.331 3.960 0.000 0.000 0.277 149 G C 1.189 175.830 174.900 -0.431 0.000 1.093 149 G CA 0.176 45.113 45.100 -0.272 0.000 0.821 149 G HN 0.244 nan 8.290 nan 0.000 0.532 150 G N -0.850 107.793 108.800 -0.262 0.000 2.153 150 G HA2 -0.061 3.899 3.960 0.000 0.000 0.252 150 G HA3 -0.061 3.899 3.960 0.000 0.000 0.252 150 G C 0.872 175.565 174.900 -0.345 0.000 0.994 150 G CA 0.362 45.324 45.100 -0.230 0.000 0.698 150 G HN 0.994 nan 8.290 nan 0.000 0.521 151 G N -1.001 107.490 108.800 -0.514 0.000 2.504 151 G HA2 0.532 4.492 3.960 0.000 0.000 0.257 151 G HA3 0.532 4.492 3.960 0.000 0.000 0.257 151 G C 1.345 176.071 174.900 -0.289 0.000 1.451 151 G CA 0.167 44.999 45.100 -0.447 0.000 1.059 151 G HN 0.880 nan 8.290 nan 0.000 0.550 152 L N -0.470 120.554 121.223 -0.332 0.000 1.978 152 L HA -0.150 4.190 4.340 0.000 0.000 0.218 152 L C 2.833 179.684 176.870 -0.032 0.000 1.075 152 L CA 1.838 56.553 54.840 -0.209 0.000 0.767 152 L CB -0.579 41.280 42.059 -0.335 0.000 0.890 152 L HN 0.495 nan 8.230 nan 0.000 0.434 153 L N -1.163 119.989 121.223 -0.118 0.000 2.027 153 L HA -0.171 4.170 4.340 0.000 0.000 0.206 153 L C 2.681 179.543 176.870 -0.013 0.000 1.074 153 L CA 1.205 56.002 54.840 -0.072 0.000 0.745 153 L CB -1.074 40.904 42.059 -0.135 0.000 0.898 153 L HN 0.399 nan 8.230 nan 0.000 0.433 154 A N 0.424 123.208 122.820 -0.061 0.000 1.902 154 A HA -0.230 4.090 4.320 0.000 0.000 0.217 154 A C 2.507 180.086 177.584 -0.007 0.000 1.181 154 A CA 2.021 54.045 52.037 -0.021 0.000 0.623 154 A CB -0.767 18.208 19.000 -0.043 0.000 0.818 154 A HN 0.523 nan 8.150 nan 0.000 0.443 155 S N -1.138 114.542 115.700 -0.033 0.000 2.500 155 S HA -0.170 4.300 4.470 0.000 0.000 0.239 155 S C 1.286 175.799 174.600 -0.145 0.000 0.989 155 S CA 1.520 59.670 58.200 -0.083 0.000 0.951 155 S CB -0.614 62.513 63.200 -0.121 0.000 0.759 155 S HN 0.697 nan 8.310 nan 0.000 0.523 156 H N 0.438 119.486 119.070 -0.037 0.000 2.652 156 H HA 0.447 5.004 4.556 0.001 0.000 0.274 156 H C 1.417 176.763 175.328 0.029 0.000 1.021 156 H CA 0.034 56.081 56.048 -0.002 0.000 1.187 156 H CB 0.414 30.164 29.762 -0.020 0.000 1.505 156 H HN 0.501 nan 8.280 nan 0.000 0.530 157 G N 0.703 109.559 108.800 0.094 0.000 2.198 157 G HA2 -0.227 3.733 3.960 0.000 0.000 0.257 157 G HA3 -0.227 3.733 3.960 0.000 0.000 0.257 157 G C 0.332 175.276 174.900 0.073 0.000 1.042 157 G CA 0.107 45.255 45.100 0.079 0.000 0.791 157 G HN 0.660 nan 8.290 nan 0.000 0.502 158 A N -0.376 122.481 122.820 0.062 0.000 2.462 158 A HA 0.652 4.972 4.320 0.000 0.000 0.243 158 A C 0.599 178.221 177.584 0.064 0.000 1.076 158 A CA 0.178 52.241 52.037 0.045 0.000 0.773 158 A CB 0.387 19.394 19.000 0.012 0.000 1.010 158 A HN 0.964 nan 8.150 nan 0.000 0.493 159 L N 2.406 123.667 121.223 0.064 0.000 2.287 159 L HA 0.484 4.824 4.340 0.000 0.000 0.287 159 L C -0.481 176.543 176.870 0.257 0.000 1.022 159 L CA -0.275 54.609 54.840 0.074 0.000 0.814 159 L CB 1.416 43.379 42.059 -0.160 0.000 1.217 159 L HN 0.753 nan 8.230 nan 0.000 0.420 160 D N 2.128 122.798 120.400 0.451 0.000 2.634 160 D HA 0.053 4.693 4.640 0.000 0.000 0.236 160 D C 0.231 176.933 176.300 0.671 0.000 1.323 160 D CA -0.434 53.851 54.000 0.475 0.000 0.884 160 D CB 0.503 41.443 40.800 0.235 0.000 1.496 160 D HN 0.279 nan 8.370 nan 0.000 0.525 161 F N 2.804 123.092 119.950 0.565 0.000 2.065 161 F HA -0.047 4.480 4.527 0.000 0.000 0.298 161 F C 1.832 177.833 175.800 0.335 0.000 1.112 161 F CA 2.327 60.526 58.000 0.332 0.000 1.212 161 F CB 0.375 39.381 39.000 0.011 0.000 0.975 161 F HN 0.423 nan 8.300 nan 0.000 0.476 162 A N -1.644 121.506 122.820 0.550 0.000 2.545 162 A HA 0.554 4.875 4.320 0.000 0.000 0.263 162 A C 0.971 178.948 177.584 0.656 0.000 1.202 162 A CA 0.443 52.738 52.037 0.430 0.000 0.959 162 A CB -0.268 19.039 19.000 0.512 0.000 1.124 162 A HN 0.912 nan 8.150 nan 0.000 0.543 163 G N -1.124 108.116 108.800 0.733 0.000 2.245 163 G HA2 0.030 3.990 3.960 0.000 0.000 0.130 163 G HA3 0.030 3.990 3.960 0.000 0.000 0.130 163 G C 0.984 176.043 174.900 0.265 0.000 1.040 163 G CA 0.239 45.635 45.100 0.493 0.000 0.713 163 G HN 1.090 nan 8.290 nan 0.000 0.488 164 G N 0.155 109.163 108.800 0.346 0.000 2.422 164 G HA2 0.050 4.011 3.960 0.000 0.000 0.218 164 G HA3 0.050 4.011 3.960 0.000 0.000 0.218 164 G C 1.837 176.896 174.900 0.265 0.000 1.146 164 G CA 2.603 47.937 45.100 0.389 0.000 0.769 164 G HN 1.405 nan 8.290 nan 0.000 0.547 165 T N -1.033 113.598 114.554 0.128 0.000 2.818 165 T HA -0.013 4.337 4.350 0.000 0.000 0.246 165 T C 2.316 177.008 174.700 -0.013 0.000 1.036 165 T CA 1.249 63.378 62.100 0.048 0.000 1.160 165 T CB -0.706 68.129 68.868 -0.054 0.000 0.869 165 T HN -0.015 nan 8.240 nan 0.000 0.419 166 V N 1.787 121.572 119.914 -0.215 0.000 2.317 166 V HA -0.151 3.969 4.120 0.000 0.000 0.251 166 V C 2.721 178.853 176.094 0.064 0.000 1.065 166 V CA 1.813 63.923 62.300 -0.317 0.000 1.049 166 V CB -0.909 30.400 31.823 -0.856 0.000 0.651 166 V HN 0.445 nan 8.190 nan 0.000 0.450 167 V N -1.451 118.571 119.914 0.180 0.000 2.635 167 V HA 0.006 4.126 4.120 0.000 0.000 0.233 167 V C 2.311 178.595 176.094 0.317 0.000 1.097 167 V CA 1.053 63.530 62.300 0.295 0.000 1.134 167 V CB -0.785 31.191 31.823 0.255 0.000 0.841 167 V HN 0.447 nan 8.190 nan 0.000 0.496 168 H N 0.450 119.796 119.070 0.461 0.000 2.270 168 H HA -0.044 4.512 4.556 0.000 0.000 0.299 168 H C 2.296 177.871 175.328 0.411 0.000 1.077 168 H CA 2.109 58.461 56.048 0.508 0.000 1.294 168 H CB -0.529 29.572 29.762 0.565 0.000 1.371 168 H HN 0.305 nan 8.280 nan 0.000 0.491 169 I N 0.814 121.649 120.570 0.443 0.000 2.252 169 I HA -0.238 3.932 4.170 0.000 0.000 0.245 169 I C 2.491 178.794 176.117 0.311 0.000 1.102 169 I CA 0.995 62.496 61.300 0.336 0.000 1.385 169 I CB -0.275 37.878 38.000 0.255 0.000 1.064 169 I HN 0.156 nan 8.210 nan 0.000 0.414 170 N N 1.464 120.357 118.700 0.321 0.000 2.036 170 N HA -0.195 4.545 4.740 0.000 0.000 0.195 170 N C 1.822 177.637 175.510 0.508 0.000 1.037 170 N CA 2.164 55.467 53.050 0.421 0.000 0.855 170 N CB -0.195 38.525 38.487 0.389 0.000 1.033 170 N HN 0.356 nan 8.380 nan 0.000 0.423 171 A N 0.203 123.258 122.820 0.391 0.000 1.898 171 A HA 0.146 4.466 4.320 0.000 0.000 0.216 171 A C 2.364 179.921 177.584 -0.046 0.000 1.181 171 A CA 1.868 53.976 52.037 0.118 0.000 0.620 171 A CB -1.068 18.009 19.000 0.128 0.000 0.819 171 A HN 0.419 nan 8.150 nan 0.000 0.442 172 A N 0.231 123.138 122.820 0.145 0.000 1.883 172 A HA -0.103 4.217 4.320 0.000 0.000 0.217 172 A C 2.009 179.559 177.584 -0.058 0.000 1.186 172 A CA 1.721 53.833 52.037 0.125 0.000 0.624 172 A CB -0.511 18.709 19.000 0.368 0.000 0.822 172 A HN 0.413 nan 8.150 nan 0.000 0.444 173 I N -0.103 120.512 120.570 0.075 0.000 2.252 173 I HA -0.218 3.953 4.170 0.000 0.000 0.245 173 I C 2.953 179.084 176.117 0.024 0.000 1.102 173 I CA 1.435 62.788 61.300 0.089 0.000 1.385 173 I CB -1.694 36.417 38.000 0.185 0.000 1.064 173 I HN 0.365 nan 8.210 nan 0.000 0.414 174 A N 1.100 123.917 122.820 -0.005 0.000 1.902 174 A HA -0.110 4.211 4.320 0.000 0.000 0.217 174 A C 2.510 179.952 177.584 -0.235 0.000 1.181 174 A CA 1.948 53.937 52.037 -0.079 0.000 0.623 174 A CB -1.328 17.387 19.000 -0.475 0.000 0.818 174 A HN 0.433 nan 8.150 nan 0.000 0.443 175 G N -0.378 108.013 108.800 -0.682 0.000 2.402 175 G HA2 -0.113 3.847 3.960 0.000 0.000 0.216 175 G HA3 -0.113 3.847 3.960 0.000 0.000 0.216 175 G C 1.541 176.072 174.900 -0.614 0.000 1.162 175 G CA 0.952 45.343 45.100 -1.180 0.000 0.777 175 G HN 0.429 nan 8.290 nan 0.000 0.539 176 L N 0.268 121.254 121.223 -0.394 0.000 2.141 176 L HA -0.053 4.287 4.340 0.000 0.000 0.209 176 L C 2.941 179.820 176.870 0.014 0.000 1.094 176 L CA 0.265 55.078 54.840 -0.044 0.000 0.763 176 L CB -0.321 41.764 42.059 0.043 0.000 0.908 176 L HN 0.082 nan 8.230 nan 0.000 0.437 177 V N 0.069 120.000 119.914 0.028 0.000 2.358 177 V HA -0.187 3.933 4.120 0.000 0.000 0.246 177 V C 2.603 178.659 176.094 -0.063 0.000 1.047 177 V CA 1.962 64.337 62.300 0.124 0.000 1.035 177 V CB -1.119 30.886 31.823 0.304 0.000 0.658 177 V HN 0.559 nan 8.190 nan 0.000 0.452 178 G N -0.335 108.283 108.800 -0.302 0.000 2.421 178 G HA2 -0.215 3.745 3.960 0.000 0.000 0.216 178 G HA3 -0.215 3.745 3.960 0.000 0.000 0.216 178 G C 1.789 176.471 174.900 -0.364 0.000 1.171 178 G CA 1.033 45.671 45.100 -0.770 0.000 0.775 178 G HN 0.596 nan 8.290 nan 0.000 0.543 179 A N -0.045 122.697 122.820 -0.131 0.000 1.908 179 A HA -0.087 4.233 4.320 0.000 0.000 0.218 179 A C 2.234 179.815 177.584 -0.006 0.000 1.181 179 A CA 1.815 53.840 52.037 -0.020 0.000 0.627 179 A CB -0.697 18.364 19.000 0.102 0.000 0.818 179 A HN 0.500 nan 8.150 nan 0.000 0.445 180 Y N 0.263 120.514 120.300 -0.081 0.000 2.200 180 Y HA 0.055 4.604 4.550 -0.001 0.000 0.290 180 Y C 0.985 176.842 175.900 -0.072 0.000 1.137 180 Y CA 0.764 58.835 58.100 -0.048 0.000 1.163 180 Y CB -0.240 38.215 38.460 -0.008 0.000 0.988 180 Y HN 0.212 nan 8.280 nan 0.000 0.518 196 H N -0.084 118.957 119.070 -0.048 0.000 2.544 196 H HA 0.205 4.762 4.556 0.000 0.000 0.269 196 H C -0.321 174.985 175.328 -0.036 0.000 0.970 196 H CA 0.499 56.525 56.048 -0.037 0.000 1.219 196 H CB 0.674 30.418 29.762 -0.029 0.000 1.421 196 H HN 0.198 nan 8.280 nan 0.000 0.555 197 N N 0.873 119.190 118.700 -0.640 0.000 2.725 197 N HA 0.138 4.878 4.740 0.000 0.000 0.248 197 N C 0.566 175.904 175.510 -0.287 0.000 1.402 197 N CA -0.211 52.558 53.050 -0.468 0.000 0.766 197 N CB 0.561 38.662 38.487 -0.643 0.000 1.223 197 N HN 0.163 nan 8.380 nan 0.000 0.515 198 L N 1.345 122.459 121.223 -0.182 0.000 2.093 198 L HA 0.020 4.360 4.340 0.000 0.000 0.208 198 L C -0.699 176.131 176.870 -0.067 0.000 1.085 198 L CA 1.138 55.899 54.840 -0.131 0.000 0.755 198 L CB -0.890 41.107 42.059 -0.104 0.000 0.904 198 L HN 0.308 nan 8.230 nan 0.000 0.435 199 P HA -0.234 nan 4.420 nan 0.000 0.217 199 P C 1.776 179.112 177.300 0.059 0.000 1.148 199 P CA 1.585 64.695 63.100 0.016 0.000 0.828 199 P CB 0.004 31.694 31.700 -0.017 0.000 0.783 200 M N -0.974 118.604 119.600 -0.036 0.000 2.156 200 M HA -0.113 4.367 4.480 0.000 0.000 0.264 200 M C 1.651 177.911 176.300 -0.067 0.000 1.067 200 M CA 1.664 56.935 55.300 -0.049 0.000 1.131 200 M CB -0.384 32.157 32.600 -0.099 0.000 1.368 200 M HN -0.241 nan 8.290 nan 0.000 0.416 201 V N 0.597 120.434 119.914 -0.128 0.000 2.343 201 V HA -0.287 3.834 4.120 0.000 0.000 0.247 201 V C 2.175 178.237 176.094 -0.053 0.000 1.051 201 V CA 2.103 64.272 62.300 -0.219 0.000 1.036 201 V CB -1.053 30.566 31.823 -0.340 0.000 0.654 201 V HN 0.599 nan 8.190 nan 0.000 0.451 202 F N 1.531 121.414 119.950 -0.112 0.000 2.134 202 F HA -0.210 4.317 4.527 0.000 0.000 0.299 202 F C 2.402 178.184 175.800 -0.029 0.000 1.097 202 F CA 2.308 60.269 58.000 -0.066 0.000 1.264 202 F CB -0.687 38.269 39.000 -0.073 0.000 1.001 202 F HN 0.120 nan 8.300 nan 0.000 0.479 203 T N -0.001 114.500 114.554 -0.089 0.000 2.746 203 T HA -0.112 4.238 4.350 0.000 0.000 0.267 203 T C 2.162 176.746 174.700 -0.193 0.000 1.039 203 T CA 1.460 63.459 62.100 -0.168 0.000 1.142 203 T CB -1.223 67.644 68.868 -0.001 0.000 0.866 203 T HN 0.474 nan 8.240 nan 0.000 0.444 204 G N 1.056 109.800 108.800 -0.094 0.000 2.418 204 G HA2 -0.204 3.756 3.960 0.000 0.000 0.217 204 G HA3 -0.204 3.756 3.960 0.000 0.000 0.217 204 G C 1.719 176.587 174.900 -0.053 0.000 1.158 204 G CA 1.391 46.465 45.100 -0.043 0.000 0.771 204 G HN 0.450 nan 8.290 nan 0.000 0.545 205 T N 1.690 116.239 114.554 -0.009 0.000 2.746 205 T HA -0.006 4.344 4.350 0.000 0.000 0.267 205 T C 2.821 177.408 174.700 -0.189 0.000 1.039 205 T CA 1.538 63.593 62.100 -0.075 0.000 1.142 205 T CB -0.374 68.457 68.868 -0.061 0.000 0.866 205 T HN 0.373 nan 8.240 nan 0.000 0.444 206 A N 1.101 123.709 122.820 -0.352 0.000 1.877 206 A HA -0.028 4.292 4.320 0.000 0.000 0.216 206 A C 2.295 179.823 177.584 -0.094 0.000 1.186 206 A CA 1.280 53.152 52.037 -0.275 0.000 0.620 206 A CB -0.796 17.918 19.000 -0.478 0.000 0.822 206 A HN 0.519 nan 8.150 nan 0.000 0.443 207 I N -0.483 119.961 120.570 -0.210 0.000 2.226 207 I HA -0.248 3.922 4.170 0.000 0.000 0.245 207 I C 2.384 178.324 176.117 -0.295 0.000 1.100 207 I CA 0.996 62.069 61.300 -0.378 0.000 1.374 207 I CB -0.285 37.326 38.000 -0.648 0.000 1.057 207 I HN 0.292 nan 8.210 nan 0.000 0.413 208 L N -0.575 120.538 121.223 -0.184 0.000 2.046 208 L HA -0.272 4.068 4.340 0.000 0.000 0.208 208 L C 2.677 179.627 176.870 0.134 0.000 1.077 208 L CA 1.540 56.340 54.840 -0.067 0.000 0.747 208 L CB -0.735 41.299 42.059 -0.042 0.000 0.896 208 L HN 0.265 nan 8.230 nan 0.000 0.432 209 Y N 0.599 120.876 120.300 -0.039 0.000 2.114 209 Y HA -0.283 4.268 4.550 0.000 0.000 0.284 209 Y C 2.465 178.395 175.900 0.050 0.000 1.143 209 Y CA 1.553 59.616 58.100 -0.062 0.000 1.135 209 Y CB -0.102 38.295 38.460 -0.106 0.000 0.980 209 Y HN -0.034 nan 8.280 nan 0.000 0.499 210 I N 0.391 121.003 120.570 0.070 0.000 2.179 210 I HA -0.224 3.946 4.170 0.000 0.000 0.242 210 I C 2.687 178.942 176.117 0.230 0.000 1.088 210 I CA 1.677 63.087 61.300 0.183 0.000 1.357 210 I CB -2.078 36.083 38.000 0.270 0.000 1.051 210 I HN 0.428 nan 8.210 nan 0.000 0.409 211 G N -0.465 108.428 108.800 0.155 0.000 2.432 211 G HA2 -0.258 3.702 3.960 0.000 0.000 0.219 211 G HA3 -0.258 3.702 3.960 0.000 0.000 0.219 211 G C 1.544 176.493 174.900 0.082 0.000 1.135 211 G CA -0.019 45.171 45.100 0.150 0.000 0.767 211 G HN 0.373 nan 8.290 nan 0.000 0.550 212 W N 0.573 121.748 121.300 -0.210 0.000 2.468 212 W HA 0.035 4.695 4.660 0.000 0.000 0.262 212 W C 1.669 178.013 176.519 -0.293 0.000 1.241 212 W CA 0.331 57.494 57.345 -0.304 0.000 1.232 212 W CB -0.328 28.832 29.460 -0.500 0.000 1.124 212 W HN 0.263 nan 8.180 nan 0.000 0.597 213 F N -0.022 119.953 119.950 0.042 0.000 2.259 213 F HA -0.039 4.488 4.527 0.001 0.000 0.298 213 F C 2.620 178.492 175.800 0.120 0.000 1.088 213 F CA 1.679 59.621 58.000 -0.096 0.000 1.358 213 F CB -1.227 37.544 39.000 -0.383 0.000 1.040 213 F HN -0.193 nan 8.300 nan 0.000 0.505 214 G N -0.916 108.056 108.800 0.287 0.000 2.403 214 G HA2 -0.261 3.700 3.960 0.000 0.000 0.216 214 G HA3 -0.261 3.700 3.960 0.000 0.000 0.216 214 G C 1.637 176.749 174.900 0.353 0.000 1.154 214 G CA 0.393 45.634 45.100 0.234 0.000 0.784 214 G HN 0.322 nan 8.290 nan 0.000 0.538 215 F N 1.932 121.938 119.950 0.093 0.000 2.075 215 F HA -0.094 4.433 4.527 0.000 0.000 0.297 215 F C 2.487 178.509 175.800 0.371 0.000 1.113 215 F CA 1.933 59.951 58.000 0.029 0.000 1.218 215 F CB -0.015 38.703 39.000 -0.470 0.000 0.984 215 F HN 0.049 nan 8.300 nan 0.000 0.472 216 N N 0.415 119.496 118.700 0.635 0.000 2.132 216 N HA -0.030 4.710 4.740 0.000 0.000 0.187 216 N C 1.921 177.749 175.510 0.531 0.000 1.038 216 N CA 1.615 55.022 53.050 0.596 0.000 0.846 216 N CB -1.068 37.725 38.487 0.510 0.000 1.012 216 N HN 0.345 nan 8.380 nan 0.000 0.429 217 A N 0.381 123.484 122.820 0.471 0.000 1.933 217 A HA 0.036 4.356 4.320 0.000 0.000 0.218 217 A C 2.233 180.115 177.584 0.495 0.000 1.175 217 A CA 1.813 54.176 52.037 0.544 0.000 0.628 217 A CB -1.137 18.290 19.000 0.711 0.000 0.814 217 A HN 0.367 nan 8.150 nan 0.000 0.444 218 G N -0.973 107.997 108.800 0.284 0.000 2.471 218 G HA2 -0.065 3.895 3.960 0.000 0.000 0.219 218 G HA3 -0.065 3.895 3.960 0.000 0.000 0.219 218 G C 1.547 176.365 174.900 -0.137 0.000 1.125 218 G CA 1.054 46.110 45.100 -0.074 0.000 0.775 218 G HN 0.466 nan 8.290 nan 0.000 0.548 219 S N 0.618 116.404 115.700 0.143 0.000 2.537 219 S HA 0.087 4.557 4.470 0.000 0.000 0.240 219 S C 2.512 176.856 174.600 -0.427 0.000 0.981 219 S CA 0.733 58.815 58.200 -0.196 0.000 0.948 219 S CB -0.067 62.944 63.200 -0.315 0.000 0.759 219 S HN 0.576 nan 8.310 nan 0.000 0.531 220 A N 0.645 123.468 122.820 0.004 0.000 2.016 220 A HA 0.408 4.729 4.320 0.000 0.000 0.217 220 A C 1.915 179.487 177.584 -0.020 0.000 1.162 220 A CA 1.047 53.162 52.037 0.130 0.000 0.662 220 A CB -0.829 18.369 19.000 0.331 0.000 0.812 220 A HN 0.871 nan 8.150 nan 0.000 0.450 221 G N -2.093 106.650 108.800 -0.096 0.000 2.162 221 G HA2 -0.146 3.815 3.960 0.000 0.000 0.260 221 G HA3 -0.146 3.815 3.960 0.000 0.000 0.260 221 G C 0.403 175.288 174.900 -0.025 0.000 0.976 221 G CA 1.246 46.260 45.100 -0.145 0.000 0.655 221 G HN 1.698 nan 8.290 nan 0.000 0.533 222 T N -2.099 112.504 114.554 0.083 0.000 2.886 222 T HA 0.671 5.021 4.350 0.000 0.000 0.330 222 T C -0.241 174.427 174.700 -0.054 0.000 1.488 222 T CA 0.596 62.725 62.100 0.049 0.000 1.054 222 T CB 1.032 69.891 68.868 -0.015 0.000 1.348 222 T HN 1.719 nan 8.240 nan 0.000 0.489 223 A N 4.054 126.702 122.820 -0.287 0.000 3.091 223 A HA 0.477 4.797 4.320 0.000 0.000 0.264 223 A C 0.634 178.019 177.584 -0.332 0.000 1.673 223 A CA -0.468 51.160 52.037 -0.683 0.000 1.362 223 A CB -1.229 17.284 19.000 -0.812 0.000 1.137 223 A HN 0.787 nan 8.150 nan 0.000 0.617 224 N N -0.318 118.265 118.700 -0.195 0.000 2.938 224 N HA 0.131 4.871 4.740 0.000 0.000 0.335 224 N C 0.898 176.362 175.510 -0.077 0.000 1.358 224 N CA -0.103 52.884 53.050 -0.106 0.000 0.812 224 N CB 0.165 38.623 38.487 -0.049 0.000 1.233 224 N HN 0.230 nan 8.380 nan 0.000 0.593 225 E N -0.192 119.983 120.200 -0.041 0.000 2.274 225 E HA -0.096 4.254 4.350 0.000 0.000 0.194 225 E C 1.386 177.983 176.600 -0.005 0.000 0.996 225 E CA 0.775 57.160 56.400 -0.026 0.000 0.840 225 E CB -0.226 29.462 29.700 -0.019 0.000 0.772 225 E HN 0.549 nan 8.360 nan 0.000 0.491 226 I N 1.829 122.408 120.570 0.014 0.000 2.406 226 I HA -0.060 4.111 4.170 0.000 0.000 0.249 226 I C 2.625 178.779 176.117 0.062 0.000 1.122 226 I CA 1.030 62.341 61.300 0.018 0.000 1.431 226 I CB -1.481 36.564 38.000 0.074 0.000 1.087 226 I HN 0.123 nan 8.210 nan 0.000 0.424 227 A N 1.096 123.984 122.820 0.114 0.000 1.902 227 A HA -0.084 4.237 4.320 0.000 0.000 0.217 227 A C 2.578 180.283 177.584 0.202 0.000 1.181 227 A CA 1.858 54.021 52.037 0.210 0.000 0.623 227 A CB -0.709 18.370 19.000 0.133 0.000 0.818 227 A HN 0.385 nan 8.150 nan 0.000 0.443 228 A N -0.472 122.396 122.820 0.079 0.000 1.902 228 A HA -0.031 4.289 4.320 0.000 0.000 0.217 228 A C 2.140 179.800 177.584 0.126 0.000 1.181 228 A CA 1.730 53.809 52.037 0.071 0.000 0.623 228 A CB -0.613 18.375 19.000 -0.020 0.000 0.818 228 A HN 0.687 nan 8.150 nan 0.000 0.443 229 L N -0.208 121.054 121.223 0.065 0.000 2.017 229 L HA -0.052 4.288 4.340 0.000 0.000 0.208 229 L C 2.672 179.576 176.870 0.057 0.000 1.073 229 L CA 2.304 57.165 54.840 0.036 0.000 0.745 229 L CB -0.794 41.243 42.059 -0.036 0.000 0.894 229 L HN 0.327 nan 8.230 nan 0.000 0.432 230 A N -1.148 121.694 122.820 0.038 0.000 1.933 230 A HA -0.248 4.072 4.320 0.000 0.000 0.218 230 A C 2.247 179.963 177.584 0.220 0.000 1.175 230 A CA 1.821 53.891 52.037 0.056 0.000 0.628 230 A CB -1.143 17.906 19.000 0.082 0.000 0.814 230 A HN 0.530 nan 8.150 nan 0.000 0.444 231 F N 0.575 120.643 119.950 0.197 0.000 2.051 231 F HA -0.168 4.359 4.527 0.001 0.000 0.296 231 F C 2.391 178.349 175.800 0.265 0.000 1.122 231 F CA 2.059 60.242 58.000 0.305 0.000 1.201 231 F CB -0.437 38.702 39.000 0.231 0.000 0.978 231 F HN 0.034 nan 8.300 nan 0.000 0.472 232 V N 0.727 120.921 119.914 0.467 0.000 2.332 232 V HA -0.340 3.781 4.120 0.000 0.000 0.248 232 V C 2.149 178.360 176.094 0.196 0.000 1.055 232 V CA 2.148 64.633 62.300 0.309 0.000 1.038 232 V CB -0.850 31.081 31.823 0.180 0.000 0.651 232 V HN 0.361 nan 8.190 nan 0.000 0.450 233 N N -0.048 118.731 118.700 0.132 0.000 2.223 233 N HA -0.127 4.613 4.740 0.000 0.000 0.185 233 N C 1.877 177.412 175.510 0.043 0.000 1.016 233 N CA 1.784 54.871 53.050 0.063 0.000 0.863 233 N CB -0.487 38.014 38.487 0.024 0.000 0.983 233 N HN 0.481 nan 8.380 nan 0.000 0.429 234 T N 0.645 115.229 114.554 0.050 0.000 2.737 234 T HA -0.027 4.323 4.350 0.000 0.000 0.265 234 T C 2.178 176.882 174.700 0.006 0.000 1.038 234 T CA 0.780 62.830 62.100 -0.083 0.000 1.144 234 T CB -0.287 68.406 68.868 -0.292 0.000 0.866 234 T HN -0.043 nan 8.240 nan 0.000 0.434 235 V N 1.361 121.406 119.914 0.218 0.000 2.287 235 V HA -0.165 3.955 4.120 0.000 0.000 0.248 235 V C 2.664 178.857 176.094 0.166 0.000 1.053 235 V CA 1.470 63.960 62.300 0.316 0.000 1.027 235 V CB -0.773 31.257 31.823 0.345 0.000 0.646 235 V HN 0.306 nan 8.190 nan 0.000 0.447 236 V N 0.181 120.160 119.914 0.107 0.000 2.270 236 V HA -0.231 3.889 4.120 0.000 0.000 0.245 236 V C 2.705 178.800 176.094 0.001 0.000 1.043 236 V CA 2.072 64.400 62.300 0.048 0.000 1.014 236 V CB -1.166 30.678 31.823 0.035 0.000 0.645 236 V HN 0.554 nan 8.190 nan 0.000 0.447 237 A N -0.270 122.537 122.820 -0.023 0.000 1.902 237 A HA -0.218 4.103 4.320 0.000 0.000 0.217 237 A C 2.388 179.922 177.584 -0.084 0.000 1.181 237 A CA 2.485 54.484 52.037 -0.063 0.000 0.623 237 A CB -0.985 17.967 19.000 -0.079 0.000 0.818 237 A HN 0.518 nan 8.150 nan 0.000 0.443 238 T N 0.393 114.893 114.554 -0.090 0.000 2.708 238 T HA -0.046 4.304 4.350 0.000 0.000 0.266 238 T C 2.247 176.886 174.700 -0.102 0.000 1.037 238 T CA 1.703 63.726 62.100 -0.129 0.000 1.146 238 T CB -0.503 68.321 68.868 -0.074 0.000 0.865 238 T HN 0.603 nan 8.240 nan 0.000 0.435 239 A N 1.495 124.285 122.820 -0.049 0.000 1.902 239 A HA 0.141 4.461 4.320 0.000 0.000 0.217 239 A C 2.654 180.220 177.584 -0.031 0.000 1.181 239 A CA 1.883 53.895 52.037 -0.041 0.000 0.623 239 A CB -1.140 17.859 19.000 -0.002 0.000 0.818 239 A HN 0.513 nan 8.150 nan 0.000 0.443 240 A N -0.304 122.499 122.820 -0.028 0.000 1.933 240 A HA 0.182 4.502 4.320 0.000 0.000 0.218 240 A C 2.448 180.029 177.584 -0.004 0.000 1.175 240 A CA 2.003 54.026 52.037 -0.023 0.000 0.628 240 A CB -0.857 18.121 19.000 -0.038 0.000 0.814 240 A HN 1.037 nan 8.150 nan 0.000 0.444 241 A N -0.316 122.496 122.820 -0.014 0.000 1.968 241 A HA 0.043 4.363 4.320 0.000 0.000 0.217 241 A C 2.074 179.704 177.584 0.076 0.000 1.169 241 A CA 1.235 53.289 52.037 0.028 0.000 0.638 241 A CB -0.494 18.494 19.000 -0.020 0.000 0.812 241 A HN 0.478 nan 8.150 nan 0.000 0.446 242 I N -0.197 120.377 120.570 0.006 0.000 2.179 242 I HA -0.255 3.915 4.170 0.000 0.000 0.242 242 I C 2.307 178.476 176.117 0.087 0.000 1.088 242 I CA 1.155 62.460 61.300 0.009 0.000 1.357 242 I CB -0.285 37.679 38.000 -0.059 0.000 1.051 242 I HN 0.288 nan 8.210 nan 0.000 0.409 243 L N 0.162 121.423 121.223 0.063 0.000 2.093 243 L HA -0.114 4.226 4.340 0.000 0.000 0.208 243 L C 2.664 179.627 176.870 0.155 0.000 1.085 243 L CA 1.452 56.343 54.840 0.084 0.000 0.755 243 L CB -1.213 40.861 42.059 0.026 0.000 0.904 243 L HN 0.323 nan 8.230 nan 0.000 0.435 244 G N -0.582 108.306 108.800 0.146 0.000 2.421 244 G HA2 -0.283 3.677 3.960 0.000 0.000 0.216 244 G HA3 -0.283 3.677 3.960 0.000 0.000 0.216 244 G C 1.363 176.426 174.900 0.270 0.000 1.171 244 G CA 0.249 45.458 45.100 0.182 0.000 0.775 244 G HN 0.390 nan 8.290 nan 0.000 0.543 245 W N 1.267 122.618 121.300 0.086 0.000 2.354 245 W HA -0.095 4.565 4.660 0.000 0.000 0.315 245 W C 2.217 178.796 176.519 0.101 0.000 1.206 245 W CA 0.983 58.376 57.345 0.080 0.000 1.290 245 W CB -0.463 29.017 29.460 0.034 0.000 1.152 245 W HN 0.107 nan 8.180 nan 0.000 0.489 246 I N 0.367 121.204 120.570 0.446 0.000 2.264 246 I HA -0.300 3.870 4.170 0.000 0.000 0.248 246 I C 2.450 178.749 176.117 0.304 0.000 1.111 246 I CA 1.514 63.010 61.300 0.326 0.000 1.382 246 I CB -1.858 36.264 38.000 0.203 0.000 1.060 246 I HN -0.077 nan 8.210 nan 0.000 0.418 247 F N 1.949 122.000 119.950 0.168 0.000 2.146 247 F HA -0.075 4.452 4.527 0.000 0.000 0.298 247 F C 2.413 178.363 175.800 0.249 0.000 1.096 247 F CA 1.664 59.771 58.000 0.178 0.000 1.275 247 F CB -0.732 38.322 39.000 0.091 0.000 1.008 247 F HN 0.038 nan 8.300 nan 0.000 0.480 248 G N -0.413 108.444 108.800 0.095 0.000 2.418 248 G HA2 -0.298 3.662 3.960 0.000 0.000 0.217 248 G HA3 -0.298 3.662 3.960 0.000 0.000 0.217 248 G C 1.573 176.411 174.900 -0.103 0.000 1.158 248 G CA 0.831 45.887 45.100 -0.072 0.000 0.771 248 G HN 0.488 nan 8.290 nan 0.000 0.545 249 E N -0.667 119.543 120.200 0.015 0.000 2.077 249 E HA -0.166 4.184 4.350 0.000 0.000 0.193 249 E C 2.055 178.673 176.600 0.031 0.000 0.989 249 E CA 1.011 57.445 56.400 0.058 0.000 0.800 249 E CB -0.295 29.539 29.700 0.223 0.000 0.746 249 E HN 0.605 nan 8.360 nan 0.000 0.452 250 W N 0.995 122.225 121.300 -0.117 0.000 2.358 250 W HA -0.156 4.504 4.660 0.000 0.000 0.303 250 W C 2.057 178.444 176.519 -0.219 0.000 1.208 250 W CA 2.195 59.456 57.345 -0.139 0.000 1.274 250 W CB -0.376 29.011 29.460 -0.121 0.000 1.138 250 W HN 0.127 nan 8.180 nan 0.000 0.515 251 A N 0.141 122.745 122.820 -0.360 0.000 1.929 251 A HA -0.083 4.237 4.320 0.000 0.000 0.216 251 A C 2.022 179.336 177.584 -0.449 0.000 1.176 251 A CA 1.723 53.387 52.037 -0.621 0.000 0.628 251 A CB -0.804 17.892 19.000 -0.507 0.000 0.816 251 A HN 0.412 nan 8.150 nan 0.000 0.444 252 L N -2.211 118.840 121.223 -0.287 0.000 2.354 252 L HA 0.126 4.466 4.340 0.000 0.000 0.212 252 L C 2.355 179.119 176.870 -0.177 0.000 1.091 252 L CA 0.609 55.330 54.840 -0.198 0.000 0.828 252 L CB -0.016 41.964 42.059 -0.132 0.000 0.973 252 L HN 0.222 nan 8.230 nan 0.000 0.461 253 R N -0.900 119.496 120.500 -0.174 0.000 2.446 253 R HA 0.268 4.608 4.340 0.000 0.000 0.254 253 R C 1.253 177.455 176.300 -0.163 0.000 0.918 253 R CA 0.572 56.596 56.100 -0.127 0.000 1.069 253 R CB 0.985 31.252 30.300 -0.054 0.000 1.194 253 R HN 0.278 nan 8.270 nan 0.000 0.534 254 G N 2.084 110.708 108.800 -0.292 0.000 2.253 254 G HA2 -0.340 3.620 3.960 0.000 0.000 0.251 254 G HA3 -0.340 3.620 3.960 0.000 0.000 0.251 254 G C -0.013 174.776 174.900 -0.185 0.000 0.998 254 G CA 0.717 45.606 45.100 -0.351 0.000 0.621 254 G HN 0.387 nan 8.290 nan 0.000 0.524 255 K N -0.421 119.960 120.400 -0.031 0.000 2.568 255 K HA 0.655 4.976 4.320 0.000 0.000 0.273 255 K C -3.433 173.249 176.600 0.136 0.000 0.951 255 K CA -1.781 54.579 56.287 0.122 0.000 0.854 255 K CB 2.791 35.335 32.500 0.074 0.000 1.424 255 K HN 0.059 nan 8.250 nan 0.000 0.427 256 P HA 0.120 nan 4.420 nan 0.000 0.276 256 P C -0.803 176.546 177.300 0.082 0.000 1.261 256 P CA -0.362 62.820 63.100 0.137 0.000 0.800 256 P CB 1.240 33.014 31.700 0.123 0.000 1.066 257 S N -0.313 115.427 115.700 0.067 0.000 2.588 257 S HA 0.278 4.748 4.470 0.000 0.000 0.275 257 S C 0.633 175.226 174.600 -0.012 0.000 1.130 257 S CA -0.692 57.522 58.200 0.024 0.000 0.855 257 S CB 1.045 64.264 63.200 0.032 0.000 1.116 257 S HN 0.246 nan 8.310 nan 0.000 0.472 258 L N 1.288 122.488 121.223 -0.040 0.000 2.046 258 L HA 0.131 4.471 4.340 0.000 0.000 0.208 258 L C 2.060 178.885 176.870 -0.076 0.000 1.077 258 L CA 1.773 56.576 54.840 -0.062 0.000 0.747 258 L CB -1.123 40.888 42.059 -0.081 0.000 0.896 258 L HN 0.849 nan 8.230 nan 0.000 0.432 259 L N -0.168 121.006 121.223 -0.082 0.000 2.083 259 L HA -0.017 4.323 4.340 0.000 0.000 0.209 259 L C 2.308 179.044 176.870 -0.223 0.000 1.083 259 L CA 2.026 56.790 54.840 -0.126 0.000 0.752 259 L CB -1.424 40.579 42.059 -0.092 0.000 0.899 259 L HN 0.320 nan 8.230 nan 0.000 0.433 260 G N -1.146 107.553 108.800 -0.168 0.000 2.421 260 G HA2 -0.247 3.713 3.960 0.000 0.000 0.216 260 G HA3 -0.247 3.713 3.960 0.000 0.000 0.216 260 G C 1.613 176.148 174.900 -0.608 0.000 1.171 260 G CA 0.817 45.710 45.100 -0.345 0.000 0.775 260 G HN 0.620 nan 8.290 nan 0.000 0.543 261 A N -0.013 122.655 122.820 -0.254 0.000 1.902 261 A HA -0.091 4.229 4.320 0.000 0.000 0.217 261 A C 2.594 180.025 177.584 -0.254 0.000 1.181 261 A CA 1.862 53.785 52.037 -0.191 0.000 0.623 261 A CB -1.010 17.946 19.000 -0.073 0.000 0.818 261 A HN 0.431 nan 8.150 nan 0.000 0.443 262 C N -0.731 118.438 119.300 -0.218 0.000 2.446 262 C HA -0.038 4.423 4.460 0.000 0.000 0.277 262 C C 3.256 178.059 174.990 -0.310 0.000 1.275 262 C CA 1.225 60.140 59.018 -0.172 0.000 1.727 262 C CB -1.224 26.489 27.740 -0.046 0.000 2.010 262 C HN 0.620 nan 8.230 nan 0.000 0.486 263 S N 0.811 116.177 115.700 -0.558 0.000 2.382 263 S HA -0.066 4.404 4.470 0.000 0.000 0.228 263 S C 2.084 176.131 174.600 -0.921 0.000 1.027 263 S CA 1.484 59.175 58.200 -0.848 0.000 0.991 263 S CB -0.677 61.663 63.200 -1.434 0.000 0.823 263 S HN 0.766 nan 8.310 nan 0.000 0.469 264 G N 1.491 109.741 108.800 -0.918 0.000 2.418 264 G HA2 -0.070 3.890 3.960 0.000 0.000 0.217 264 G HA3 -0.070 3.890 3.960 0.000 0.000 0.217 264 G C 1.577 176.347 174.900 -0.217 0.000 1.158 264 G CA 0.905 45.843 45.100 -0.271 0.000 0.771 264 G HN 0.575 nan 8.290 nan 0.000 0.545 265 A N 1.067 123.713 122.820 -0.290 0.000 1.883 265 A HA -0.017 4.303 4.320 0.000 0.000 0.217 265 A C 2.345 179.694 177.584 -0.392 0.000 1.186 265 A CA 1.539 53.390 52.037 -0.310 0.000 0.624 265 A CB -0.327 18.479 19.000 -0.325 0.000 0.822 265 A HN 0.278 nan 8.150 nan 0.000 0.444 266 I N 0.026 120.346 120.570 -0.417 0.000 2.226 266 I HA -0.236 3.934 4.170 0.000 0.000 0.245 266 I C 2.932 178.715 176.117 -0.557 0.000 1.100 266 I CA 1.401 62.374 61.300 -0.545 0.000 1.374 266 I CB -1.695 36.004 38.000 -0.503 0.000 1.057 266 I HN 0.370 nan 8.210 nan 0.000 0.413 267 A N 1.027 123.645 122.820 -0.336 0.000 1.908 267 A HA -0.118 4.202 4.320 0.000 0.000 0.218 267 A C 2.513 179.971 177.584 -0.210 0.000 1.181 267 A CA 1.974 53.905 52.037 -0.177 0.000 0.627 267 A CB -1.295 17.782 19.000 0.128 0.000 0.818 267 A HN 0.434 nan 8.150 nan 0.000 0.445 268 G N -0.505 108.157 108.800 -0.231 0.000 2.403 268 G HA2 -0.062 3.899 3.960 0.000 0.000 0.216 268 G HA3 -0.062 3.899 3.960 0.000 0.000 0.216 268 G C 1.553 176.241 174.900 -0.353 0.000 1.154 268 G CA 0.882 45.849 45.100 -0.221 0.000 0.784 268 G HN 0.420 nan 8.290 nan 0.000 0.538 269 L N 0.202 121.050 121.223 -0.624 0.000 2.046 269 L HA -0.075 4.265 4.340 0.000 0.000 0.208 269 L C 2.975 179.384 176.870 -0.768 0.000 1.077 269 L CA 0.496 54.677 54.840 -1.099 0.000 0.747 269 L CB -0.415 40.403 42.059 -2.068 0.000 0.896 269 L HN 0.086 nan 8.230 nan 0.000 0.432 270 V N -0.053 119.489 119.914 -0.620 0.000 2.307 270 V HA -0.178 3.942 4.120 0.000 0.000 0.245 270 V C 2.608 178.694 176.094 -0.014 0.000 1.045 270 V CA 1.995 64.077 62.300 -0.363 0.000 1.024 270 V CB -1.202 30.240 31.823 -0.635 0.000 0.651 270 V HN 0.556 nan 8.190 nan 0.000 0.449 271 G N -0.881 107.879 108.800 -0.067 0.000 2.442 271 G HA2 -0.224 3.737 3.960 0.000 0.000 0.219 271 G HA3 -0.224 3.737 3.960 0.000 0.000 0.219 271 G C 1.697 176.654 174.900 0.095 0.000 1.141 271 G CA 1.194 46.318 45.100 0.040 0.000 0.763 271 G HN 0.383 nan 8.290 nan 0.000 0.554 272 V N 0.545 120.484 119.914 0.042 0.000 3.129 272 V HA -0.034 4.086 4.120 0.000 0.000 0.259 272 V C 2.898 179.132 176.094 0.234 0.000 1.116 272 V CA 2.055 64.408 62.300 0.089 0.000 1.127 272 V CB -0.474 31.346 31.823 -0.007 0.000 0.742 272 V HN 0.384 nan 8.190 nan 0.000 0.474 273 T N 1.916 116.690 114.554 0.367 0.000 2.597 273 T HA -0.131 4.219 4.350 0.000 0.000 0.267 273 T C -0.213 174.831 174.700 0.573 0.000 1.053 273 T CA 2.366 64.845 62.100 0.632 0.000 1.165 273 T CB -1.183 68.260 68.868 0.959 0.000 0.863 273 T HN 0.549 nan 8.240 nan 0.000 0.427 274 P HA 0.184 nan 4.420 nan 0.000 0.229 274 P C 0.826 178.431 177.300 0.507 0.000 1.160 274 P CA 0.922 64.318 63.100 0.493 0.000 0.777 274 P CB -0.015 31.924 31.700 0.397 0.000 0.814 275 A N -0.217 122.834 122.820 0.384 0.000 2.140 275 A HA 0.018 4.338 4.320 0.000 0.000 0.209 275 A C 2.346 180.014 177.584 0.141 0.000 1.181 275 A CA 0.670 52.903 52.037 0.327 0.000 0.824 275 A CB -1.627 17.522 19.000 0.248 0.000 0.879 275 A HN 0.369 nan 8.150 nan 0.000 0.480 276 C N -1.039 118.309 119.300 0.081 0.000 2.385 276 C HA -0.089 4.371 4.460 0.000 0.000 0.275 276 C C 2.425 177.168 174.990 -0.411 0.000 1.199 276 C CA 0.987 59.959 59.018 -0.076 0.000 1.782 276 C CB -1.732 26.043 27.740 0.059 0.000 2.068 276 C HN 0.531 nan 8.230 nan 0.000 0.471 277 G N -2.279 105.847 108.800 -1.123 0.000 2.985 277 G HA2 0.298 4.258 3.960 0.000 0.000 0.209 277 G HA3 0.298 4.258 3.960 0.000 0.000 0.209 277 G C 0.830 175.168 174.900 -0.936 0.000 1.165 277 G CA 0.387 44.495 45.100 -1.653 0.000 0.776 277 G HN 0.681 nan 8.290 nan 0.000 0.541 278 Y N -0.112 120.050 120.300 -0.230 0.000 2.430 278 Y HA 0.367 4.917 4.550 0.000 0.000 0.254 278 Y C 1.208 177.089 175.900 -0.032 0.000 1.088 278 Y CA -1.537 56.528 58.100 -0.059 0.000 1.267 278 Y CB 0.245 38.733 38.460 0.047 0.000 1.204 278 Y HN 0.220 nan 8.280 nan 0.000 0.515 279 I N -1.894 118.739 120.570 0.104 0.000 2.947 279 I HA 0.896 5.067 4.170 0.000 0.000 0.314 279 I C 0.635 176.780 176.117 0.047 0.000 1.028 279 I CA -1.203 60.157 61.300 0.101 0.000 1.077 279 I CB 1.319 39.394 38.000 0.125 0.000 1.274 279 I HN -0.011 nan 8.210 nan 0.000 0.485 280 G N 0.727 109.563 108.800 0.061 0.000 2.502 280 G HA2 0.416 4.376 3.960 0.000 0.000 0.305 280 G HA3 0.416 4.376 3.960 0.000 0.000 0.305 280 G C 0.864 175.775 174.900 0.018 0.000 1.190 280 G CA -0.187 44.936 45.100 0.038 0.000 0.933 280 G HN 0.907 nan 8.290 nan 0.000 0.503 281 V N -0.902 119.020 119.914 0.014 0.000 2.594 281 V HA -0.018 4.103 4.120 0.000 0.000 0.253 281 V C 2.477 178.559 176.094 -0.020 0.000 1.069 281 V CA 2.223 64.525 62.300 0.003 0.000 1.082 281 V CB -1.198 30.635 31.823 0.016 0.000 0.680 281 V HN 0.738 nan 8.190 nan 0.000 0.469 282 G N 0.796 109.590 108.800 -0.009 0.000 2.402 282 G HA2 -0.049 3.911 3.960 0.000 0.000 0.216 282 G HA3 -0.049 3.911 3.960 0.000 0.000 0.216 282 G C 1.551 176.385 174.900 -0.110 0.000 1.162 282 G CA 0.803 45.889 45.100 -0.023 0.000 0.777 282 G HN 0.730 nan 8.290 nan 0.000 0.539 283 G N 1.052 109.780 108.800 -0.120 0.000 2.422 283 G HA2 0.061 4.021 3.960 0.000 0.000 0.218 283 G HA3 0.061 4.021 3.960 0.000 0.000 0.218 283 G C 2.032 176.694 174.900 -0.397 0.000 1.146 283 G CA 1.493 46.338 45.100 -0.425 0.000 0.769 283 G HN 0.627 nan 8.290 nan 0.000 0.547 284 A N 0.403 123.120 122.820 -0.173 0.000 1.902 284 A HA 0.097 4.417 4.320 0.000 0.000 0.217 284 A C 2.373 179.879 177.584 -0.130 0.000 1.181 284 A CA 1.427 53.392 52.037 -0.119 0.000 0.623 284 A CB -0.420 18.552 19.000 -0.047 0.000 0.818 284 A HN 0.391 nan 8.150 nan 0.000 0.443 285 L N -0.473 120.677 121.223 -0.122 0.000 2.046 285 L HA -0.131 4.209 4.340 0.000 0.000 0.208 285 L C 2.385 179.174 176.870 -0.135 0.000 1.077 285 L CA 1.458 56.238 54.840 -0.100 0.000 0.747 285 L CB -0.216 41.800 42.059 -0.072 0.000 0.896 285 L HN 0.433 nan 8.230 nan 0.000 0.432 286 I N -0.428 120.010 120.570 -0.220 0.000 2.202 286 I HA -0.338 3.833 4.170 0.000 0.000 0.242 286 I C 2.372 178.355 176.117 -0.223 0.000 1.091 286 I CA 1.474 62.628 61.300 -0.243 0.000 1.368 286 I CB -0.244 37.526 38.000 -0.383 0.000 1.058 286 I HN 0.229 nan 8.210 nan 0.000 0.410 287 I N 0.707 121.101 120.570 -0.294 0.000 2.208 287 I HA -0.237 3.933 4.170 0.000 0.000 0.245 287 I C 2.681 178.748 176.117 -0.084 0.000 1.097 287 I CA 1.645 62.848 61.300 -0.161 0.000 1.363 287 I CB -0.939 36.979 38.000 -0.137 0.000 1.051 287 I HN 0.290 nan 8.210 nan 0.000 0.413 288 G N 0.628 109.375 108.800 -0.090 0.000 2.459 288 G HA2 -0.219 3.742 3.960 0.000 0.000 0.217 288 G HA3 -0.219 3.742 3.960 0.000 0.000 0.217 288 G C 1.701 176.584 174.900 -0.029 0.000 1.183 288 G CA 1.078 46.141 45.100 -0.060 0.000 0.776 288 G HN 0.241 nan 8.290 nan 0.000 0.552 289 V N 0.463 120.356 119.914 -0.034 0.000 2.287 289 V HA -0.187 3.933 4.120 0.000 0.000 0.248 289 V C 3.069 179.168 176.094 0.009 0.000 1.053 289 V CA 1.635 63.930 62.300 -0.008 0.000 1.027 289 V CB -0.514 31.291 31.823 -0.029 0.000 0.646 289 V HN 0.250 nan 8.190 nan 0.000 0.447 290 V N 0.236 120.145 119.914 -0.008 0.000 2.343 290 V HA -0.244 3.877 4.120 0.000 0.000 0.247 290 V C 2.688 178.795 176.094 0.021 0.000 1.051 290 V CA 1.975 64.278 62.300 0.005 0.000 1.036 290 V CB -1.137 30.690 31.823 0.007 0.000 0.654 290 V HN 0.561 nan 8.190 nan 0.000 0.451 291 A N 0.572 123.405 122.820 0.023 0.000 1.902 291 A HA -0.082 4.238 4.320 0.000 0.000 0.217 291 A C 2.434 180.069 177.584 0.085 0.000 1.181 291 A CA 1.925 53.988 52.037 0.042 0.000 0.623 291 A CB -1.244 17.763 19.000 0.011 0.000 0.818 291 A HN 0.520 nan 8.150 nan 0.000 0.443 292 G N -0.191 108.671 108.800 0.103 0.000 2.418 292 G HA2 -0.164 3.796 3.960 0.000 0.000 0.217 292 G HA3 -0.164 3.796 3.960 0.000 0.000 0.217 292 G C 1.555 176.513 174.900 0.095 0.000 1.158 292 G CA 1.113 46.344 45.100 0.219 0.000 0.771 292 G HN 0.437 nan 8.290 nan 0.000 0.545 293 L N 0.491 121.732 121.223 0.030 0.000 2.072 293 L HA 0.071 4.411 4.340 0.000 0.000 0.205 293 L C 3.361 180.207 176.870 -0.041 0.000 1.079 293 L CA 0.871 55.687 54.840 -0.039 0.000 0.752 293 L CB -0.339 41.729 42.059 0.015 0.000 0.906 293 L HN 0.285 nan 8.230 nan 0.000 0.436 294 A N 0.334 123.165 122.820 0.019 0.000 1.930 294 A HA -0.081 4.240 4.320 0.000 0.000 0.217 294 A C 2.391 180.069 177.584 0.155 0.000 1.175 294 A CA 1.572 53.664 52.037 0.091 0.000 0.627 294 A CB -1.137 17.905 19.000 0.070 0.000 0.815 294 A HN 0.425 nan 8.150 nan 0.000 0.443 295 G N -0.121 108.725 108.800 0.075 0.000 2.418 295 G HA2 -0.131 3.830 3.960 0.000 0.000 0.217 295 G HA3 -0.131 3.830 3.960 0.000 0.000 0.217 295 G C 1.477 176.217 174.900 -0.267 0.000 1.158 295 G CA 1.185 46.357 45.100 0.120 0.000 0.771 295 G HN 0.491 nan 8.290 nan 0.000 0.545 296 L N -0.464 120.221 121.223 -0.898 0.000 2.046 296 L HA 0.075 4.416 4.340 0.000 0.000 0.208 296 L C 2.419 179.060 176.870 -0.382 0.000 1.077 296 L CA 1.705 55.829 54.840 -1.194 0.000 0.747 296 L CB -0.715 40.557 42.059 -1.311 0.000 0.896 296 L HN 0.459 nan 8.230 nan 0.000 0.432 297 W N 0.380 121.492 121.300 -0.314 0.000 2.355 297 W HA -0.050 4.610 4.660 0.000 0.000 0.309 297 W C 2.233 178.701 176.519 -0.085 0.000 1.206 297 W CA 2.291 59.543 57.345 -0.156 0.000 1.284 297 W CB -0.792 28.608 29.460 -0.100 0.000 1.145 297 W HN 0.209 nan 8.180 nan 0.000 0.502 298 G N 0.894 109.704 108.800 0.017 0.000 2.459 298 G HA2 -0.359 3.601 3.960 0.000 0.000 0.217 298 G HA3 -0.359 3.601 3.960 0.000 0.000 0.217 298 G C 1.508 176.296 174.900 -0.187 0.000 1.183 298 G CA 2.640 47.662 45.100 -0.131 0.000 0.776 298 G HN 0.561 nan 8.290 nan 0.000 0.552 299 V N -1.211 118.672 119.914 -0.052 0.000 2.407 299 V HA -0.135 3.985 4.120 0.000 0.000 0.248 299 V C 2.626 178.666 176.094 -0.088 0.000 1.055 299 V CA 2.746 65.050 62.300 0.007 0.000 1.049 299 V CB -1.434 30.494 31.823 0.176 0.000 0.662 299 V HN 0.282 nan 8.190 nan 0.000 0.455 300 T N 0.904 115.354 114.554 -0.173 0.000 2.720 300 T HA -0.072 4.278 4.350 0.000 0.000 0.268 300 T C 1.417 175.968 174.700 -0.249 0.000 1.037 300 T CA 2.101 64.087 62.100 -0.190 0.000 1.144 300 T CB -0.298 68.446 68.868 -0.208 0.000 0.864 300 T HN 0.373 nan 8.240 nan 0.000 0.444 301 M N -0.251 119.094 119.600 -0.425 0.000 2.306 301 M HA 0.437 4.917 4.480 0.000 0.000 0.211 301 M C 1.067 177.223 176.300 -0.241 0.000 0.972 301 M CA -0.436 54.612 55.300 -0.420 0.000 1.861 301 M CB -1.067 31.067 32.600 -0.777 0.000 1.105 301 M HN 0.212 nan 8.290 nan 0.000 0.900 312 C N 1.066 120.357 119.300 -0.015 0.000 2.472 312 C HA -0.016 4.445 4.460 0.000 0.000 0.278 312 C C 2.003 177.014 174.990 0.034 0.000 1.447 312 C CA 0.956 59.976 59.018 0.003 0.000 1.773 312 C CB -0.851 27.020 27.740 0.219 0.000 1.793 312 C HN 0.368 nan 8.230 nan 0.000 0.544 313 D N 0.816 121.241 120.400 0.042 0.000 2.263 313 D HA -0.095 4.546 4.640 0.000 0.000 0.208 313 D C 2.084 178.445 176.300 0.103 0.000 0.971 313 D CA 0.856 54.907 54.000 0.085 0.000 0.867 313 D CB -0.202 40.644 40.800 0.076 0.000 0.929 313 D HN 0.294 nan 8.370 nan 0.000 0.492 314 V N 0.818 120.741 119.914 0.015 0.000 2.469 314 V HA -0.250 3.870 4.120 0.000 0.000 0.251 314 V C 1.949 178.159 176.094 0.193 0.000 1.064 314 V CA 1.218 63.565 62.300 0.078 0.000 1.066 314 V CB -0.594 31.239 31.823 0.016 0.000 0.667 314 V HN 0.098 nan 8.190 nan 0.000 0.461 315 F N 1.235 121.367 119.950 0.304 0.000 2.365 315 F HA 0.052 4.580 4.527 0.001 0.000 0.300 315 F C 2.291 178.254 175.800 0.273 0.000 1.090 315 F CA 0.841 59.011 58.000 0.282 0.000 1.408 315 F CB -1.434 37.675 39.000 0.181 0.000 1.060 315 F HN 0.190 nan 8.300 nan 0.000 0.534 316 G N -0.054 108.959 108.800 0.355 0.000 2.402 316 G HA2 -0.143 3.817 3.960 0.000 0.000 0.216 316 G HA3 -0.143 3.817 3.960 0.000 0.000 0.216 316 G C 1.827 176.887 174.900 0.266 0.000 1.162 316 G CA 1.108 46.363 45.100 0.258 0.000 0.777 316 G HN 0.256 nan 8.290 nan 0.000 0.539 317 V N 0.217 120.296 119.914 0.275 0.000 2.283 317 V HA -0.038 4.082 4.120 0.000 0.000 0.243 317 V C 2.455 178.618 176.094 0.115 0.000 1.039 317 V CA 1.409 63.822 62.300 0.188 0.000 1.016 317 V CB -0.703 31.186 31.823 0.110 0.000 0.650 317 V HN 0.295 nan 8.190 nan 0.000 0.449 318 F N 1.412 121.467 119.950 0.174 0.000 2.134 318 F HA -0.071 4.457 4.527 0.000 0.000 0.299 318 F C 2.357 178.305 175.800 0.247 0.000 1.097 318 F CA 1.734 59.847 58.000 0.189 0.000 1.264 318 F CB -1.106 38.058 39.000 0.272 0.000 1.001 318 F HN 0.199 nan 8.300 nan 0.000 0.479 319 G N -0.425 108.637 108.800 0.437 0.000 2.424 319 G HA2 -0.151 3.809 3.960 0.000 0.000 0.214 319 G HA3 -0.151 3.809 3.960 0.000 0.000 0.214 319 G C 1.800 176.863 174.900 0.273 0.000 1.202 319 G CA 1.002 46.307 45.100 0.341 0.000 0.793 319 G HN 0.202 nan 8.290 nan 0.000 0.534 320 V N 0.685 120.753 119.914 0.256 0.000 2.295 320 V HA -0.211 3.909 4.120 0.000 0.000 0.246 320 V C 3.064 179.273 176.094 0.191 0.000 1.049 320 V CA 1.858 64.302 62.300 0.240 0.000 1.024 320 V CB -0.662 31.334 31.823 0.288 0.000 0.648 320 V HN 0.507 nan 8.190 nan 0.000 0.447 321 C N 0.705 120.099 119.300 0.157 0.000 2.435 321 C HA 0.016 4.476 4.460 0.000 0.000 0.279 321 C C 2.869 177.940 174.990 0.135 0.000 1.321 321 C CA 0.480 59.559 59.018 0.101 0.000 1.752 321 C CB -1.694 26.050 27.740 0.007 0.000 1.959 321 C HN 0.684 nan 8.230 nan 0.000 0.500 322 G N 0.749 109.668 108.800 0.198 0.000 2.402 322 G HA2 -0.133 3.828 3.960 0.000 0.000 0.216 322 G HA3 -0.133 3.828 3.960 0.000 0.000 0.216 322 G C 1.477 176.520 174.900 0.239 0.000 1.162 322 G CA 0.666 45.937 45.100 0.286 0.000 0.777 322 G HN 0.515 nan 8.290 nan 0.000 0.539 323 I N 0.270 120.965 120.570 0.208 0.000 2.179 323 I HA -0.162 4.008 4.170 0.000 0.000 0.242 323 I C 2.809 179.015 176.117 0.149 0.000 1.088 323 I CA 0.540 61.942 61.300 0.171 0.000 1.357 323 I CB -0.317 37.778 38.000 0.159 0.000 1.051 323 I HN 0.020 nan 8.210 nan 0.000 0.409 324 V N 1.075 121.072 119.914 0.139 0.000 2.287 324 V HA -0.269 3.851 4.120 0.000 0.000 0.248 324 V C 2.580 178.756 176.094 0.137 0.000 1.053 324 V CA 2.351 64.721 62.300 0.117 0.000 1.027 324 V CB -1.454 30.425 31.823 0.094 0.000 0.646 324 V HN 0.602 nan 8.190 nan 0.000 0.447 325 G N -1.437 107.455 108.800 0.153 0.000 2.446 325 G HA2 -0.281 3.680 3.960 0.000 0.000 0.217 325 G HA3 -0.281 3.680 3.960 0.000 0.000 0.217 325 G C 1.753 176.779 174.900 0.209 0.000 1.168 325 G CA 1.332 46.539 45.100 0.178 0.000 0.771 325 G HN 0.537 nan 8.290 nan 0.000 0.551 326 C N 0.240 119.665 119.300 0.208 0.000 2.429 326 C HA 0.062 4.523 4.460 0.000 0.000 0.277 326 C C 2.860 177.951 174.990 0.168 0.000 1.262 326 C CA 0.470 59.606 59.018 0.197 0.000 1.733 326 C CB -0.943 26.902 27.740 0.175 0.000 2.010 326 C HN 0.474 nan 8.230 nan 0.000 0.483 327 I N 0.371 121.030 120.570 0.148 0.000 2.202 327 I HA -0.246 3.925 4.170 0.000 0.000 0.242 327 I C 2.523 178.737 176.117 0.163 0.000 1.091 327 I CA 1.666 63.042 61.300 0.127 0.000 1.368 327 I CB -0.400 37.661 38.000 0.102 0.000 1.058 327 I HN 0.303 nan 8.210 nan 0.000 0.410 328 M N -0.185 119.536 119.600 0.200 0.000 2.279 328 M HA -0.161 4.319 4.480 0.000 0.000 0.264 328 M C 2.194 178.704 176.300 0.350 0.000 1.062 328 M CA 1.529 57.008 55.300 0.298 0.000 1.099 328 M CB -0.645 32.132 32.600 0.296 0.000 1.394 328 M HN 0.249 nan 8.290 nan 0.000 0.426 329 T N 0.271 114.993 114.554 0.280 0.000 2.788 329 T HA -0.098 4.252 4.350 0.000 0.000 0.268 329 T C 1.783 176.645 174.700 0.270 0.000 1.044 329 T CA 1.588 63.861 62.100 0.288 0.000 1.139 329 T CB -0.597 68.443 68.868 0.286 0.000 0.867 329 T HN 0.654 nan 8.240 nan 0.000 0.454 330 G N 0.224 109.167 108.800 0.239 0.000 2.559 330 G HA2 0.007 3.968 3.960 0.000 0.000 0.216 330 G HA3 0.007 3.968 3.960 0.000 0.000 0.216 330 G C 1.315 176.400 174.900 0.309 0.000 1.126 330 G CA 0.297 45.549 45.100 0.254 0.000 0.778 330 G HN 0.483 nan 8.290 nan 0.000 0.543 331 I N -1.421 119.273 120.570 0.206 0.000 2.900 331 I HA 0.213 4.384 4.170 0.000 0.000 0.251 331 I C 1.690 177.720 176.117 -0.146 0.000 1.102 331 I CA 0.057 61.366 61.300 0.016 0.000 1.457 331 I CB 0.031 37.908 38.000 -0.205 0.000 1.285 331 I HN -0.005 nan 8.210 nan 0.000 0.459 332 F N 1.328 121.335 119.950 0.095 0.000 2.699 332 F HA 0.036 4.563 4.527 0.000 0.000 0.298 332 F C 2.359 178.131 175.800 -0.046 0.000 1.154 332 F CA 0.724 58.742 58.000 0.030 0.000 1.457 332 F CB -0.548 38.480 39.000 0.047 0.000 1.106 332 F HN 0.003 nan 8.300 nan 0.000 0.585 333 A N 0.341 123.153 122.820 -0.013 0.000 2.119 333 A HA 0.319 4.640 4.320 0.000 0.000 0.217 333 A C 1.609 178.835 177.584 -0.597 0.000 1.153 333 A CA 0.510 52.425 52.037 -0.202 0.000 0.692 333 A CB -0.928 17.948 19.000 -0.208 0.000 0.799 333 A HN 0.148 nan 8.150 nan 0.000 0.458 334 A N -0.062 122.298 122.820 -0.767 0.000 2.546 334 A HA 0.347 4.667 4.320 0.000 0.000 0.243 334 A C 1.461 178.866 177.584 -0.299 0.000 1.063 334 A CA 0.504 52.112 52.037 -0.715 0.000 0.757 334 A CB 0.026 18.869 19.000 -0.261 0.000 0.991 334 A HN 0.343 nan 8.150 nan 0.000 0.503 335 S N 1.471 117.037 115.700 -0.223 0.000 2.359 335 S HA -0.195 4.275 4.470 0.000 0.000 0.224 335 S C 2.351 176.922 174.600 -0.047 0.000 1.035 335 S CA 1.984 60.127 58.200 -0.094 0.000 1.018 335 S CB -0.392 62.778 63.200 -0.051 0.000 0.876 335 S HN 1.195 nan 8.310 nan 0.000 0.448 336 S N 1.070 116.748 115.700 -0.037 0.000 2.465 336 S HA 0.033 4.503 4.470 0.000 0.000 0.241 336 S C 1.207 175.803 174.600 -0.006 0.000 1.000 336 S CA 0.769 58.961 58.200 -0.012 0.000 0.964 336 S CB -0.429 62.771 63.200 -0.001 0.000 0.763 336 S HN 0.477 nan 8.310 nan 0.000 0.512 337 L N 0.629 121.842 121.223 -0.017 0.000 2.818 337 L HA 0.443 4.783 4.340 0.000 0.000 0.243 337 L C 1.559 178.485 176.870 0.093 0.000 1.185 337 L CA 0.165 55.028 54.840 0.038 0.000 0.988 337 L CB -0.042 42.005 42.059 -0.020 0.000 1.292 337 L HN 0.519 nan 8.230 nan 0.000 0.519 338 G N -0.097 108.728 108.800 0.042 0.000 2.176 338 G HA2 -0.229 3.731 3.960 0.000 0.000 0.253 338 G HA3 -0.229 3.731 3.960 0.000 0.000 0.253 338 G C 0.564 175.484 174.900 0.033 0.000 0.979 338 G CA -0.120 45.006 45.100 0.043 0.000 0.641 338 G HN 0.511 nan 8.290 nan 0.000 0.530 339 G N -0.889 107.918 108.800 0.010 0.000 2.588 339 G HA2 0.582 4.542 3.960 0.000 0.000 0.281 339 G HA3 0.582 4.542 3.960 0.000 0.000 0.281 339 G C 1.433 176.319 174.900 -0.024 0.000 1.236 339 G CA 0.746 45.844 45.100 -0.003 0.000 0.969 339 G HN 1.302 nan 8.290 nan 0.000 0.504 340 V N -2.370 117.547 119.914 0.004 0.000 3.217 340 V HA 0.472 4.592 4.120 0.000 0.000 0.264 340 V C 1.173 177.256 176.094 -0.018 0.000 1.135 340 V CA 0.720 63.034 62.300 0.023 0.000 1.142 340 V CB -1.383 30.500 31.823 0.101 0.000 0.754 340 V HN 2.195 nan 8.190 nan 0.000 0.484 341 G N -0.417 108.306 108.800 -0.127 0.000 2.712 341 G HA2 -0.069 3.891 3.960 0.000 0.000 0.686 341 G HA3 -0.069 3.891 3.960 0.000 0.000 0.686 341 G C -0.800 173.996 174.900 -0.174 0.000 1.181 341 G CA -0.489 44.494 45.100 -0.195 0.000 0.762 341 G HN 0.368 nan 8.290 nan 0.000 0.641 342 F N 1.277 121.235 119.950 0.013 0.000 2.440 342 F HA 0.616 5.144 4.527 0.000 0.000 0.323 342 F C 1.486 177.286 175.800 0.001 0.000 1.192 342 F CA 0.486 58.482 58.000 -0.006 0.000 1.252 342 F CB 0.391 39.388 39.000 -0.004 0.000 1.214 342 F HN 0.956 nan 8.300 nan 0.000 0.578 343 A N 0.563 123.509 122.820 0.209 0.000 2.448 343 A HA 0.085 4.406 4.320 0.000 0.000 0.239 343 A C 0.243 177.879 177.584 0.086 0.000 1.080 343 A CA -0.509 51.594 52.037 0.110 0.000 0.779 343 A CB -0.262 18.782 19.000 0.073 0.000 1.026 343 A HN 0.762 nan 8.150 nan 0.000 0.499 344 E N -0.320 119.909 120.200 0.048 0.000 2.452 344 E HA 0.281 4.631 4.350 0.000 0.000 0.261 344 E C 1.186 177.781 176.600 -0.007 0.000 0.987 344 E CA 1.163 57.578 56.400 0.026 0.000 0.926 344 E CB 0.156 29.864 29.700 0.013 0.000 0.934 344 E HN 1.312 nan 8.360 nan 0.000 0.452 345 G N 1.974 110.765 108.800 -0.015 0.000 2.155 345 G HA2 -0.273 3.687 3.960 0.000 0.000 0.257 345 G HA3 -0.273 3.687 3.960 0.000 0.000 0.257 345 G C 0.071 174.897 174.900 -0.123 0.000 0.983 345 G CA 0.220 45.284 45.100 -0.061 0.000 0.676 345 G HN 0.385 nan 8.290 nan 0.000 0.528 346 V N 1.838 121.696 119.914 -0.094 0.000 2.384 346 V HA 0.679 4.799 4.120 0.000 0.000 0.287 346 V C 0.917 176.905 176.094 -0.175 0.000 1.020 346 V CA -0.037 62.157 62.300 -0.176 0.000 0.850 346 V CB 1.448 33.205 31.823 -0.110 0.000 0.987 346 V HN 0.663 nan 8.190 nan 0.000 0.436 347 T N 1.809 116.241 114.554 -0.203 0.000 2.847 347 T HA 0.361 4.711 4.350 0.000 0.000 0.279 347 T C 1.178 175.591 174.700 -0.479 0.000 0.984 347 T CA -0.444 61.531 62.100 -0.209 0.000 0.988 347 T CB 1.200 70.011 68.868 -0.095 0.000 1.040 347 T HN 0.565 nan 8.240 nan 0.000 0.528 348 M N 0.982 120.327 119.600 -0.426 0.000 2.117 348 M HA 0.043 4.524 4.480 0.000 0.000 0.262 348 M C 2.231 178.359 176.300 -0.286 0.000 1.065 348 M CA 2.274 57.271 55.300 -0.505 0.000 1.114 348 M CB -1.077 31.487 32.600 -0.060 0.000 1.361 348 M HN 0.928 nan 8.290 nan 0.000 0.408 349 G N -0.967 107.742 108.800 -0.152 0.000 2.459 349 G HA2 -0.341 3.619 3.960 0.000 0.000 0.217 349 G HA3 -0.341 3.619 3.960 0.000 0.000 0.217 349 G C 1.191 176.037 174.900 -0.089 0.000 1.183 349 G CA 1.609 46.656 45.100 -0.088 0.000 0.776 349 G HN 0.691 nan 8.290 nan 0.000 0.552 350 H N -0.188 118.779 119.070 -0.172 0.000 2.353 350 H HA -0.088 4.468 4.556 0.001 0.000 0.300 350 H C 2.580 177.810 175.328 -0.163 0.000 1.090 350 H CA 2.100 58.061 56.048 -0.144 0.000 1.327 350 H CB -0.020 29.661 29.762 -0.136 0.000 1.383 350 H HN 0.374 nan 8.280 nan 0.000 0.508 351 Q N 0.395 120.095 119.800 -0.167 0.000 2.119 351 Q HA -0.069 4.271 4.340 0.000 0.000 0.201 351 Q C 2.321 178.240 176.000 -0.134 0.000 0.972 351 Q CA 1.544 57.238 55.803 -0.183 0.000 0.847 351 Q CB -0.335 28.171 28.738 -0.388 0.000 0.903 351 Q HN 0.619 nan 8.270 nan 0.000 0.433 352 L N -0.471 120.674 121.223 -0.130 0.000 2.046 352 L HA -0.184 4.156 4.340 0.000 0.000 0.208 352 L C 2.172 178.995 176.870 -0.078 0.000 1.077 352 L CA 0.799 55.600 54.840 -0.064 0.000 0.747 352 L CB -0.513 41.516 42.059 -0.049 0.000 0.896 352 L HN 0.316 nan 8.230 nan 0.000 0.432 353 L N -0.669 120.474 121.223 -0.133 0.000 2.046 353 L HA -0.172 4.168 4.340 0.000 0.000 0.208 353 L C 2.341 179.122 176.870 -0.148 0.000 1.077 353 L CA 1.622 56.377 54.840 -0.141 0.000 0.747 353 L CB -0.365 41.582 42.059 -0.187 0.000 0.896 353 L HN -0.059 nan 8.230 nan 0.000 0.432 354 V N -0.548 119.249 119.914 -0.196 0.000 2.427 354 V HA -0.258 3.863 4.120 0.000 0.000 0.248 354 V C 2.640 178.697 176.094 -0.061 0.000 1.051 354 V CA 1.504 63.721 62.300 -0.137 0.000 1.048 354 V CB -0.638 31.114 31.823 -0.119 0.000 0.666 354 V HN 0.506 nan 8.190 nan 0.000 0.456 355 Q N -0.253 119.527 119.800 -0.033 0.000 2.050 355 Q HA -0.100 4.240 4.340 0.000 0.000 0.202 355 Q C 2.296 178.304 176.000 0.013 0.000 0.980 355 Q CA 1.548 57.360 55.803 0.015 0.000 0.840 355 Q CB -0.516 28.251 28.738 0.049 0.000 0.898 355 Q HN 0.539 nan 8.270 nan 0.000 0.424 356 L N 0.609 121.831 121.223 -0.003 0.000 2.046 356 L HA -0.201 4.140 4.340 0.000 0.000 0.208 356 L C 2.316 179.185 176.870 -0.002 0.000 1.077 356 L CA 1.258 56.101 54.840 0.005 0.000 0.747 356 L CB -0.388 41.667 42.059 -0.006 0.000 0.896 356 L HN 0.257 nan 8.230 nan 0.000 0.432 357 E N -0.362 119.820 120.200 -0.030 0.000 2.077 357 E HA -0.170 4.180 4.350 0.000 0.000 0.193 357 E C 2.312 178.896 176.600 -0.026 0.000 0.989 357 E CA 1.457 57.834 56.400 -0.039 0.000 0.800 357 E CB -0.020 29.631 29.700 -0.083 0.000 0.746 357 E HN 0.373 nan 8.360 nan 0.000 0.452 358 S N 0.767 116.450 115.700 -0.028 0.000 2.368 358 S HA -0.121 4.350 4.470 0.000 0.000 0.225 358 S C 2.037 176.640 174.600 0.006 0.000 1.030 358 S CA 0.783 58.967 58.200 -0.026 0.000 0.999 358 S CB -0.147 63.036 63.200 -0.028 0.000 0.844 358 S HN 0.190 nan 8.310 nan 0.000 0.459 359 I N 1.788 122.377 120.570 0.032 0.000 2.142 359 I HA -0.204 3.966 4.170 0.000 0.000 0.240 359 I C 2.766 178.925 176.117 0.070 0.000 1.078 359 I CA 1.131 62.469 61.300 0.064 0.000 1.343 359 I CB -0.562 37.484 38.000 0.078 0.000 1.046 359 I HN 0.265 nan 8.210 nan 0.000 0.405 360 A N 1.031 123.884 122.820 0.055 0.000 1.883 360 A HA -0.207 4.113 4.320 0.000 0.000 0.217 360 A C 2.314 179.946 177.584 0.081 0.000 1.186 360 A CA 1.706 53.779 52.037 0.061 0.000 0.624 360 A CB -0.938 18.085 19.000 0.039 0.000 0.822 360 A HN 0.393 nan 8.150 nan 0.000 0.444 361 I N -0.514 120.101 120.570 0.075 0.000 2.226 361 I HA -0.229 3.941 4.170 0.000 0.000 0.245 361 I C 2.597 178.811 176.117 0.161 0.000 1.100 361 I CA 1.763 63.136 61.300 0.122 0.000 1.374 361 I CB -0.526 37.529 38.000 0.091 0.000 1.057 361 I HN 0.281 nan 8.210 nan 0.000 0.413 362 T N 1.078 115.688 114.554 0.095 0.000 2.708 362 T HA -0.133 4.217 4.350 0.000 0.000 0.266 362 T C 1.911 176.719 174.700 0.180 0.000 1.037 362 T CA 1.389 63.547 62.100 0.097 0.000 1.146 362 T CB -0.272 68.627 68.868 0.051 0.000 0.865 362 T HN 0.223 nan 8.240 nan 0.000 0.435 363 I N 0.757 121.423 120.570 0.161 0.000 2.142 363 I HA -0.178 3.992 4.170 0.000 0.000 0.240 363 I C 2.510 178.734 176.117 0.178 0.000 1.078 363 I CA 1.085 62.485 61.300 0.168 0.000 1.343 363 I CB -0.488 37.590 38.000 0.131 0.000 1.046 363 I HN 0.085 nan 8.210 nan 0.000 0.405 364 V N 0.184 120.192 119.914 0.157 0.000 2.295 364 V HA -0.302 3.818 4.120 0.000 0.000 0.246 364 V C 2.128 178.325 176.094 0.172 0.000 1.049 364 V CA 1.849 64.227 62.300 0.129 0.000 1.024 364 V CB -0.796 31.079 31.823 0.087 0.000 0.648 364 V HN 0.605 nan 8.190 nan 0.000 0.447 365 W N 0.770 122.095 121.300 0.042 0.000 2.333 365 W HA -0.247 4.415 4.660 0.003 0.000 0.316 365 W C 2.945 179.506 176.519 0.070 0.000 1.215 365 W CA 2.521 59.883 57.345 0.028 0.000 1.278 365 W CB -0.727 28.735 29.460 0.002 0.000 1.154 365 W HN 0.362 nan 8.180 nan 0.000 0.486 366 S N 0.092 116.069 115.700 0.462 0.000 2.368 366 S HA -0.107 4.364 4.470 0.000 0.000 0.225 366 S C 2.070 176.942 174.600 0.453 0.000 1.030 366 S CA 2.103 60.600 58.200 0.494 0.000 0.999 366 S CB -0.937 62.569 63.200 0.510 0.000 0.844 366 S HN 0.304 nan 8.310 nan 0.000 0.459 367 G N 0.789 109.775 108.800 0.312 0.000 2.421 367 G HA2 -0.147 3.814 3.960 0.000 0.000 0.216 367 G HA3 -0.147 3.814 3.960 0.000 0.000 0.216 367 G C 1.494 176.545 174.900 0.252 0.000 1.171 367 G CA 1.153 46.406 45.100 0.254 0.000 0.775 367 G HN 0.468 nan 8.290 nan 0.000 0.543 368 V N 0.437 120.447 119.914 0.161 0.000 2.261 368 V HA -0.165 3.955 4.120 0.000 0.000 0.246 368 V C 3.045 179.247 176.094 0.180 0.000 1.047 368 V CA 1.539 63.905 62.300 0.109 0.000 1.015 368 V CB -0.469 31.329 31.823 -0.043 0.000 0.642 368 V HN 0.242 nan 8.190 nan 0.000 0.446 369 V N 0.337 120.337 119.914 0.144 0.000 2.343 369 V HA -0.266 3.854 4.120 0.000 0.000 0.247 369 V C 2.707 178.976 176.094 0.292 0.000 1.051 369 V CA 2.026 64.417 62.300 0.151 0.000 1.036 369 V CB -1.170 30.708 31.823 0.092 0.000 0.654 369 V HN 0.561 nan 8.190 nan 0.000 0.451 370 A N -0.466 122.635 122.820 0.468 0.000 1.902 370 A HA -0.254 4.066 4.320 0.000 0.000 0.217 370 A C 2.121 179.964 177.584 0.432 0.000 1.181 370 A CA 2.077 54.404 52.037 0.484 0.000 0.623 370 A CB -0.750 18.550 19.000 0.500 0.000 0.818 370 A HN 0.521 nan 8.150 nan 0.000 0.443 371 F N 0.620 120.762 119.950 0.320 0.000 2.095 371 F HA -0.182 4.344 4.527 -0.002 0.000 0.298 371 F C 1.984 177.922 175.800 0.231 0.000 1.104 371 F CA 1.862 60.044 58.000 0.303 0.000 1.232 371 F CB -0.231 38.883 39.000 0.190 0.000 0.987 371 F HN 0.188 nan 8.300 nan 0.000 0.475 372 I N -0.004 120.716 120.570 0.251 0.000 2.226 372 I HA -0.253 3.917 4.170 0.000 0.000 0.245 372 I C 2.745 178.883 176.117 0.035 0.000 1.100 372 I CA 1.408 62.769 61.300 0.101 0.000 1.374 372 I CB -1.301 36.757 38.000 0.098 0.000 1.057 372 I HN 0.310 nan 8.210 nan 0.000 0.413 373 G N 0.121 108.956 108.800 0.057 0.000 2.433 373 G HA2 -0.268 3.692 3.960 0.000 0.000 0.216 373 G HA3 -0.268 3.692 3.960 0.000 0.000 0.216 373 G C 1.440 176.423 174.900 0.138 0.000 1.186 373 G CA 0.708 45.827 45.100 0.032 0.000 0.779 373 G HN 0.256 nan 8.290 nan 0.000 0.543 374 Y N 1.172 121.624 120.300 0.253 0.000 2.224 374 Y HA -0.006 4.544 4.550 -0.001 0.000 0.289 374 Y C 2.846 178.696 175.900 -0.083 0.000 1.146 374 Y CA 1.131 59.259 58.100 0.046 0.000 1.182 374 Y CB -0.058 38.357 38.460 -0.075 0.000 0.983 374 Y HN 0.021 nan 8.280 nan 0.000 0.524 375 K N -0.172 120.196 120.400 -0.052 0.000 2.057 375 K HA -0.133 4.187 4.320 0.000 0.000 0.206 375 K C 2.149 178.725 176.600 -0.040 0.000 1.050 375 K CA 0.868 57.068 56.287 -0.145 0.000 0.935 375 K CB -0.926 31.384 32.500 -0.317 0.000 0.715 375 K HN 0.285 nan 8.250 nan 0.000 0.439 376 L N 1.223 122.442 121.223 -0.008 0.000 2.046 376 L HA -0.093 4.247 4.340 0.000 0.000 0.208 376 L C 2.176 179.065 176.870 0.032 0.000 1.077 376 L CA 1.917 56.764 54.840 0.011 0.000 0.747 376 L CB -0.778 41.289 42.059 0.013 0.000 0.896 376 L HN 0.132 nan 8.230 nan 0.000 0.432 377 A N -0.859 121.999 122.820 0.063 0.000 1.877 377 A HA -0.265 4.055 4.320 0.000 0.000 0.216 377 A C 2.125 179.741 177.584 0.053 0.000 1.186 377 A CA 1.861 53.946 52.037 0.079 0.000 0.620 377 A CB -1.017 18.063 19.000 0.133 0.000 0.822 377 A HN 0.537 nan 8.150 nan 0.000 0.443 378 D N -0.366 120.058 120.400 0.039 0.000 2.178 378 D HA -0.082 4.559 4.640 0.000 0.000 0.201 378 D C 1.777 178.081 176.300 0.006 0.000 0.980 378 D CA 0.970 54.978 54.000 0.013 0.000 0.842 378 D CB -0.156 40.637 40.800 -0.012 0.000 0.948 378 D HN 0.429 nan 8.370 nan 0.000 0.472 379 L N -0.559 120.667 121.223 0.005 0.000 2.240 379 L HA -0.041 4.299 4.340 0.000 0.000 0.211 379 L C 2.232 179.108 176.870 0.011 0.000 1.106 379 L CA 0.995 55.837 54.840 0.004 0.000 0.793 379 L CB -0.186 41.873 42.059 0.001 0.000 0.927 379 L HN 0.057 nan 8.230 nan 0.000 0.446 380 T N -1.209 113.356 114.554 0.018 0.000 2.866 380 T HA -0.054 4.296 4.350 0.000 0.000 0.250 380 T C 1.515 176.229 174.700 0.024 0.000 1.033 380 T CA 1.492 63.604 62.100 0.021 0.000 1.145 380 T CB 0.140 69.024 68.868 0.027 0.000 0.866 380 T HN 0.271 nan 8.240 nan 0.000 0.434 381 V N -2.234 117.699 119.914 0.031 0.000 3.548 381 V HA 0.694 4.814 4.120 0.000 0.000 0.279 381 V C 0.686 176.797 176.094 0.029 0.000 1.446 381 V CA 0.221 62.541 62.300 0.033 0.000 1.023 381 V CB -0.315 31.536 31.823 0.048 0.000 0.820 381 V HN 0.635 nan 8.190 nan 0.000 0.438 382 G N 0.497 109.312 108.800 0.025 0.000 3.190 382 G HA2 -0.132 3.829 3.960 0.000 0.000 0.686 382 G HA3 -0.132 3.829 3.960 0.000 0.000 0.686 382 G C -0.222 174.689 174.900 0.018 0.000 1.033 382 G CA -0.005 45.104 45.100 0.014 0.000 0.797 382 G HN 0.306 nan 8.290 nan 0.000 0.567 383 L N 1.723 122.949 121.223 0.006 0.000 1.973 383 L HA 0.088 4.429 4.340 0.000 0.000 0.208 383 L C 2.255 179.112 176.870 -0.021 0.000 1.073 383 L CA 1.073 55.913 54.840 -0.000 0.000 0.746 383 L CB -0.212 41.831 42.059 -0.027 0.000 0.891 383 L HN 0.636 nan 8.230 nan 0.000 0.433 384 R N 0.448 120.926 120.500 -0.037 0.000 2.522 384 R HA 0.036 4.376 4.340 0.000 0.000 0.284 384 R C -0.196 176.090 176.300 -0.023 0.000 1.032 384 R CA -0.278 55.796 56.100 -0.043 0.000 1.049 384 R CB 0.607 30.877 30.300 -0.050 0.000 0.956 384 R HN 0.004 nan 8.270 nan 0.000 0.422 385 V N 6.585 126.484 119.914 -0.024 0.000 2.584 385 V HA -0.011 4.110 4.120 0.000 0.000 0.303 385 V C -1.201 174.891 176.094 -0.004 0.000 1.035 385 V CA -0.967 61.329 62.300 -0.007 0.000 1.172 385 V CB 0.277 32.092 31.823 -0.013 0.000 0.896 385 V HN 0.741 nan 8.190 nan 0.000 0.486 386 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 31.708 31.700 0.013 0.000 0.726