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 3gli_1_D DATA FIRST_RESID 2 DATA SEQUENCE SYQVLARKWR PQTFADVVGQ EHVLTALANG LSLGRIHHAY LFSGTRGVGK DATA SEQUENCE TSIARLLAKG LNCETGITAT PCGVCDNCRE IEQGRFVDLI EIDAASRTKV DATA SEQUENCE EDTRDLLDNV QYAPARGRFK VYLIDEVHML SRHSFNALLK TLEEPPEHVK DATA SEQUENCE FLLATTDPQK LPVTILSRCL QFHLKALDVE QIRHQLEHIL NEEHIAHEPR DATA SEQUENCE ALQLLARAAE GSLRDALSLT DQAIASGDGQ VSTQAVSAML GTLDDDQALS DATA SEQUENCE LVEAMVEANG ERVMALINEA AARGIEWEAL LVEMLGLLHR IAMVQLSPAA DATA SEQUENCE LGNDMAAIEL RMRELARTIP PTDIQLYYQT LLIGRKELPY APDRRMGVEM DATA SEQUENCE TLLRALAFHP RM 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.640 174.600 0.067 0.000 1.055 2 S CA 0.000 58.230 58.200 0.050 0.000 1.107 2 S CB 0.000 63.210 63.200 0.017 0.000 0.593 3 Y N 3.337 123.637 120.300 0.000 0.000 2.442 3 Y HA 0.535 5.084 4.550 -0.000 0.000 0.330 3 Y C 0.192 176.097 175.900 0.007 0.000 1.129 3 Y CA 0.735 58.839 58.100 0.006 0.000 1.365 3 Y CB 0.538 39.007 38.460 0.014 0.000 1.233 3 Y HN 0.446 nan 8.280 nan 0.000 0.529 4 Q N 4.344 123.627 119.800 -0.861 0.000 2.359 4 Q HA 0.437 4.777 4.340 -0.000 0.000 0.274 4 Q C -1.099 174.367 176.000 -0.890 0.000 1.074 4 Q CA -1.305 54.109 55.803 -0.648 0.000 0.810 4 Q CB 2.605 31.162 28.738 -0.302 0.000 1.342 4 Q HN 0.547 nan 8.270 nan 0.000 0.427 5 V N 3.170 122.813 119.914 -0.452 0.000 2.814 5 V HA -0.157 3.962 4.120 -0.000 0.000 0.307 5 V C 1.488 177.535 176.094 -0.078 0.000 1.089 5 V CA 0.411 62.607 62.300 -0.173 0.000 1.212 5 V CB -0.063 31.758 31.823 -0.004 0.000 0.912 5 V HN 0.706 nan 8.190 nan 0.000 0.497 6 L N 4.325 125.593 121.223 0.074 0.000 2.051 6 L HA -0.203 4.136 4.340 -0.000 0.000 0.214 6 L C 2.502 179.501 176.870 0.215 0.000 1.076 6 L CA 2.420 57.416 54.840 0.259 0.000 0.758 6 L CB -1.432 40.776 42.059 0.248 0.000 0.890 6 L HN 0.815 nan 8.230 nan 0.000 0.433 7 A N -1.127 121.757 122.820 0.106 0.000 2.186 7 A HA -0.210 4.110 4.320 -0.000 0.000 0.219 7 A C 2.522 180.139 177.584 0.056 0.000 1.159 7 A CA 1.963 54.044 52.037 0.074 0.000 0.680 7 A CB -0.550 18.478 19.000 0.046 0.000 0.787 7 A HN 0.474 nan 8.150 nan 0.000 0.467 8 R N -1.133 119.384 120.500 0.029 0.000 2.125 8 R HA 0.146 4.486 4.340 -0.000 0.000 0.195 8 R C 2.167 178.445 176.300 -0.038 0.000 1.138 8 R CA 0.596 56.687 56.100 -0.015 0.000 1.123 8 R CB -0.242 30.023 30.300 -0.057 0.000 1.049 8 R HN 0.329 nan 8.270 nan 0.000 0.503 9 K N -0.215 120.131 120.400 -0.089 0.000 2.089 9 K HA -0.189 4.131 4.320 -0.000 0.000 0.210 9 K C 0.774 177.227 176.600 -0.246 0.000 1.048 9 K CA 1.841 58.002 56.287 -0.209 0.000 0.926 9 K CB -0.138 32.187 32.500 -0.292 0.000 0.714 9 K HN 0.285 nan 8.250 nan 0.000 0.448 10 W N 1.970 123.243 121.300 -0.046 0.000 3.405 10 W HA 0.145 4.804 4.660 -0.000 0.000 0.300 10 W C 0.233 176.730 176.519 -0.036 0.000 1.286 10 W CA -0.620 56.707 57.345 -0.030 0.000 1.762 10 W CB 0.113 29.560 29.460 -0.021 0.000 1.087 10 W HN 0.020 nan 8.180 nan 0.000 0.703 11 R N 2.579 123.134 120.500 0.090 0.000 2.486 11 R HA 0.011 4.351 4.340 -0.000 0.000 0.303 11 R C -2.243 174.079 176.300 0.037 0.000 0.958 11 R CA -1.211 54.918 56.100 0.048 0.000 1.077 11 R CB 0.144 30.446 30.300 0.004 0.000 0.921 11 R HN -0.163 nan 8.270 nan 0.000 0.406 12 P HA -0.053 nan 4.420 nan 0.000 0.261 12 P C -0.499 176.813 177.300 0.021 0.000 1.183 12 P CA 0.184 63.307 63.100 0.038 0.000 0.761 12 P CB 0.848 32.555 31.700 0.012 0.000 0.785 13 Q N 0.521 120.333 119.800 0.021 0.000 2.280 13 Q HA 0.109 4.449 4.340 -0.000 0.000 0.228 13 Q C 0.429 176.435 176.000 0.011 0.000 0.857 13 Q CA 0.768 56.571 55.803 -0.000 0.000 0.939 13 Q CB 0.610 29.332 28.738 -0.026 0.000 1.114 13 Q HN 0.580 nan 8.270 nan 0.000 0.514 14 T N -4.079 110.504 114.554 0.048 0.000 2.909 14 T HA 0.460 4.809 4.350 -0.000 0.000 0.299 14 T C 0.670 175.483 174.700 0.189 0.000 1.073 14 T CA -0.705 61.434 62.100 0.065 0.000 0.999 14 T CB 0.434 69.317 68.868 0.025 0.000 1.098 14 T HN -0.030 nan 8.240 nan 0.000 0.477 15 F N 0.840 120.758 119.950 -0.055 0.000 2.192 15 F HA -0.124 4.403 4.527 -0.000 0.000 0.301 15 F C 2.928 178.701 175.800 -0.046 0.000 1.079 15 F CA 0.791 58.755 58.000 -0.059 0.000 1.303 15 F CB -0.213 38.751 39.000 -0.060 0.000 1.024 15 F HN 0.827 nan 8.300 nan 0.000 0.494 16 A N -0.305 122.610 122.820 0.158 0.000 1.940 16 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 16 A C 1.386 178.995 177.584 0.041 0.000 1.176 16 A CA 1.937 54.020 52.037 0.077 0.000 0.631 16 A CB -0.538 18.497 19.000 0.059 0.000 0.814 16 A HN 0.232 nan 8.150 nan 0.000 0.446 17 D N -0.563 119.864 120.400 0.045 0.000 2.370 17 D HA 0.244 4.884 4.640 -0.000 0.000 0.230 17 D C -0.363 175.933 176.300 -0.006 0.000 1.143 17 D CA 0.163 54.175 54.000 0.020 0.000 0.834 17 D CB 0.312 41.144 40.800 0.053 0.000 0.944 17 D HN 0.125 nan 8.370 nan 0.000 0.504 18 V N 1.059 120.957 119.914 -0.027 0.000 2.483 18 V HA 0.212 4.331 4.120 -0.000 0.000 0.295 18 V C 0.279 176.328 176.094 -0.076 0.000 1.035 18 V CA -0.782 61.477 62.300 -0.068 0.000 0.896 18 V CB 2.447 34.189 31.823 -0.135 0.000 0.986 18 V HN -0.185 nan 8.190 nan 0.000 0.447 19 V N 5.384 125.254 119.914 -0.073 0.000 2.432 19 V HA 0.710 4.830 4.120 -0.000 0.000 0.275 19 V C 1.041 177.100 176.094 -0.059 0.000 1.043 19 V CA 0.764 63.028 62.300 -0.060 0.000 0.925 19 V CB 0.359 32.150 31.823 -0.054 0.000 0.985 19 V HN 1.270 nan 8.190 nan 0.000 0.466 20 G N 4.009 112.782 108.800 -0.045 0.000 2.574 20 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.282 20 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.282 20 G C 0.189 175.055 174.900 -0.055 0.000 1.257 20 G CA 0.292 45.374 45.100 -0.030 0.000 0.956 20 G HN 1.052 nan 8.290 nan 0.000 0.560 21 Q N -1.336 118.454 119.800 -0.017 0.000 2.450 21 Q HA -0.234 4.106 4.340 -0.000 0.000 0.255 21 Q C 1.282 177.146 176.000 -0.228 0.000 1.003 21 Q CA 2.159 57.894 55.803 -0.114 0.000 1.097 21 Q CB -1.918 26.701 28.738 -0.197 0.000 1.544 21 Q HN 0.971 nan 8.270 nan 0.000 0.531 22 E N -0.111 120.060 120.200 -0.048 0.000 2.204 22 E HA -0.180 4.170 4.350 -0.000 0.000 0.195 22 E C 1.821 178.376 176.600 -0.074 0.000 0.990 22 E CA 1.222 57.580 56.400 -0.071 0.000 0.821 22 E CB -0.196 29.500 29.700 -0.008 0.000 0.750 22 E HN 0.758 nan 8.360 nan 0.000 0.477 23 H N -0.212 118.812 119.070 -0.076 0.000 2.389 23 H HA -0.030 4.525 4.556 -0.000 0.000 0.299 23 H C 1.999 177.250 175.328 -0.129 0.000 1.081 23 H CA 1.173 57.183 56.048 -0.063 0.000 1.345 23 H CB -0.641 29.109 29.762 -0.021 0.000 1.393 23 H HN 0.039 nan 8.280 nan 0.000 0.520 24 V N 2.003 121.401 119.914 -0.860 0.000 2.255 24 V HA -0.208 3.912 4.120 -0.000 0.000 0.243 24 V C 3.222 178.963 176.094 -0.588 0.000 1.038 24 V CA 1.427 63.242 62.300 -0.809 0.000 1.008 24 V CB -0.785 30.596 31.823 -0.738 0.000 0.645 24 V HN 0.226 nan 8.190 nan 0.000 0.449 25 L N -0.181 120.748 121.223 -0.490 0.000 2.051 25 L HA -0.261 4.078 4.340 -0.000 0.000 0.214 25 L C 2.654 179.401 176.870 -0.206 0.000 1.076 25 L CA 2.126 56.703 54.840 -0.438 0.000 0.758 25 L CB -1.182 40.607 42.059 -0.450 0.000 0.890 25 L HN 0.390 nan 8.230 nan 0.000 0.433 26 T N -0.136 114.326 114.554 -0.153 0.000 2.580 26 T HA -0.257 4.093 4.350 -0.000 0.000 0.265 26 T C 1.986 176.671 174.700 -0.026 0.000 1.063 26 T CA 1.760 63.829 62.100 -0.051 0.000 1.170 26 T CB -0.298 68.558 68.868 -0.021 0.000 0.863 26 T HN 0.494 nan 8.240 nan 0.000 0.418 27 A N 0.889 123.674 122.820 -0.057 0.000 1.917 27 A HA -0.089 4.231 4.320 -0.000 0.000 0.219 27 A C 2.314 179.933 177.584 0.059 0.000 1.182 27 A CA 1.543 53.592 52.037 0.019 0.000 0.633 27 A CB -0.954 18.082 19.000 0.059 0.000 0.819 27 A HN 0.496 nan 8.150 nan 0.000 0.448 28 L N -1.083 120.121 121.223 -0.032 0.000 1.937 28 L HA -0.194 4.146 4.340 -0.000 0.000 0.213 28 L C 3.163 180.132 176.870 0.165 0.000 1.077 28 L CA 1.259 56.163 54.840 0.106 0.000 0.758 28 L CB -0.780 41.311 42.059 0.054 0.000 0.888 28 L HN 0.423 nan 8.230 nan 0.000 0.433 29 A N -0.077 122.862 122.820 0.198 0.000 1.958 29 A HA -0.301 4.019 4.320 -0.000 0.000 0.221 29 A C 2.013 179.662 177.584 0.108 0.000 1.178 29 A CA 2.428 54.576 52.037 0.185 0.000 0.642 29 A CB -0.871 18.255 19.000 0.210 0.000 0.816 29 A HN 0.509 nan 8.150 nan 0.000 0.453 30 N N -0.141 118.615 118.700 0.092 0.000 2.018 30 N HA -0.115 4.625 4.740 -0.000 0.000 0.196 30 N C 1.864 177.429 175.510 0.092 0.000 1.043 30 N CA 1.899 54.996 53.050 0.079 0.000 0.856 30 N CB -0.876 37.653 38.487 0.069 0.000 1.042 30 N HN 0.408 nan 8.380 nan 0.000 0.423 31 G N 0.930 109.804 108.800 0.123 0.000 2.491 31 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.218 31 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.218 31 G C 1.638 176.610 174.900 0.120 0.000 1.180 31 G CA 0.985 46.170 45.100 0.142 0.000 0.774 31 G HN 0.308 nan 8.290 nan 0.000 0.562 32 L N 0.687 121.975 121.223 0.108 0.000 2.043 32 L HA -0.144 4.196 4.340 -0.000 0.000 0.212 32 L C 3.150 180.056 176.870 0.060 0.000 1.075 32 L CA 1.612 56.493 54.840 0.069 0.000 0.752 32 L CB -0.359 41.720 42.059 0.033 0.000 0.891 32 L HN 0.184 nan 8.230 nan 0.000 0.432 33 S N -0.454 115.281 115.700 0.058 0.000 2.436 33 S HA 0.039 4.509 4.470 -0.000 0.000 0.228 33 S C 1.746 176.377 174.600 0.052 0.000 1.014 33 S CA 0.704 58.932 58.200 0.047 0.000 0.950 33 S CB -0.098 63.127 63.200 0.041 0.000 0.784 33 S HN 0.299 nan 8.310 nan 0.000 0.504 34 L N 0.944 122.204 121.223 0.062 0.000 2.599 34 L HA 0.232 4.571 4.340 -0.000 0.000 0.230 34 L C 1.730 178.639 176.870 0.066 0.000 1.141 34 L CA 0.346 55.222 54.840 0.060 0.000 0.877 34 L CB -0.724 41.374 42.059 0.064 0.000 1.009 34 L HN 0.435 nan 8.230 nan 0.000 0.447 35 G N 0.800 109.644 108.800 0.073 0.000 2.166 35 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.260 35 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.260 35 G C 0.487 175.444 174.900 0.096 0.000 0.986 35 G CA -0.051 45.098 45.100 0.082 0.000 0.683 35 G HN 0.430 nan 8.290 nan 0.000 0.527 36 R N 0.313 120.875 120.500 0.103 0.000 3.171 36 R HA 0.393 4.733 4.340 -0.000 0.000 0.241 36 R C 0.326 176.725 176.300 0.164 0.000 1.421 36 R CA -0.228 55.941 56.100 0.117 0.000 1.444 36 R CB 0.174 30.534 30.300 0.100 0.000 1.247 36 R HN 0.369 nan 8.270 nan 0.000 0.636 37 I N 1.375 122.047 120.570 0.170 0.000 2.359 37 I HA 0.188 4.357 4.170 -0.000 0.000 0.294 37 I C 0.607 176.880 176.117 0.261 0.000 0.987 37 I CA -0.755 60.683 61.300 0.230 0.000 1.225 37 I CB 1.218 39.287 38.000 0.115 0.000 1.366 37 I HN 0.401 nan 8.210 nan 0.000 0.466 38 H N 5.154 124.405 119.070 0.301 0.000 2.417 38 H HA 0.297 4.853 4.556 -0.000 0.000 0.325 38 H C 0.874 176.343 175.328 0.235 0.000 1.549 38 H CA 0.024 56.112 56.048 0.066 0.000 1.476 38 H CB 0.878 30.413 29.762 -0.380 0.000 1.732 38 H HN 0.612 nan 8.280 nan 0.000 0.695 39 H N -1.249 117.828 119.070 0.012 0.000 3.046 39 H HA 0.461 5.017 4.556 -0.000 0.000 0.262 39 H C -0.671 174.883 175.328 0.377 0.000 1.044 39 H CA 0.253 56.390 56.048 0.149 0.000 1.209 39 H CB 0.625 30.390 29.762 0.005 0.000 1.507 39 H HN 0.367 nan 8.280 nan 0.000 0.507 40 A N 1.336 124.474 122.820 0.530 0.000 2.522 40 A HA 0.460 4.780 4.320 -0.000 0.000 0.285 40 A C -1.978 175.752 177.584 0.243 0.000 1.198 40 A CA -0.540 51.789 52.037 0.487 0.000 0.742 40 A CB 0.374 19.603 19.000 0.382 0.000 1.176 40 A HN 0.233 nan 8.150 nan 0.000 0.444 41 Y N 1.950 122.322 120.300 0.121 0.000 2.342 41 Y HA 0.517 5.066 4.550 -0.000 0.000 0.338 41 Y C -0.077 175.745 175.900 -0.130 0.000 0.965 41 Y CA -0.980 57.054 58.100 -0.109 0.000 1.159 41 Y CB 1.766 40.235 38.460 0.015 0.000 1.157 41 Y HN 0.622 nan 8.280 nan 0.000 0.486 42 L N 5.071 126.169 121.223 -0.209 0.000 2.275 42 L HA 0.621 4.961 4.340 -0.000 0.000 0.288 42 L C -1.700 175.042 176.870 -0.213 0.000 1.046 42 L CA -0.623 54.165 54.840 -0.088 0.000 0.805 42 L CB 0.027 42.035 42.059 -0.085 0.000 1.193 42 L HN 0.348 nan 8.230 nan 0.000 0.426 43 F N 3.720 123.776 119.950 0.177 0.000 2.449 43 F HA 0.663 5.190 4.527 -0.000 0.000 0.342 43 F C 0.329 176.220 175.800 0.153 0.000 1.127 43 F CA -0.323 57.793 58.000 0.194 0.000 0.975 43 F CB 1.970 41.075 39.000 0.175 0.000 1.146 43 F HN 0.605 nan 8.300 nan 0.000 0.444 44 S N 1.400 117.287 115.700 0.312 0.000 2.634 44 S HA 1.035 5.505 4.470 -0.000 0.000 0.296 44 S C -0.378 174.333 174.600 0.184 0.000 1.104 44 S CA -0.691 57.666 58.200 0.261 0.000 0.920 44 S CB 2.183 65.549 63.200 0.276 0.000 1.111 44 S HN 1.252 nan 8.310 nan 0.000 0.493 45 G N 0.487 109.386 108.800 0.164 0.000 2.352 45 G HA2 0.418 4.378 3.960 -0.000 0.000 0.302 45 G HA3 0.418 4.378 3.960 -0.000 0.000 0.302 45 G C -0.595 174.356 174.900 0.084 0.000 1.370 45 G CA -0.260 44.850 45.100 0.017 0.000 0.918 45 G HN 1.246 nan 8.290 nan 0.000 0.610 46 T N -0.906 113.684 114.554 0.061 0.000 2.816 46 T HA 0.569 4.919 4.350 -0.000 0.000 0.282 46 T C 0.997 175.724 174.700 0.045 0.000 0.993 46 T CA -0.206 61.932 62.100 0.062 0.000 0.994 46 T CB 0.897 69.798 68.868 0.055 0.000 1.025 46 T HN 1.268 nan 8.240 nan 0.000 0.529 47 R N 0.418 120.947 120.500 0.048 0.000 2.474 47 R HA 0.064 4.403 4.340 -0.000 0.000 0.290 47 R C 0.773 177.090 176.300 0.029 0.000 0.918 47 R CA 0.944 57.070 56.100 0.043 0.000 1.130 47 R CB -1.527 28.798 30.300 0.042 0.000 0.881 47 R HN 1.616 nan 8.270 nan 0.000 0.416 48 G N 2.271 111.086 108.800 0.026 0.000 2.333 48 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.296 48 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.296 48 G C 0.136 175.035 174.900 -0.001 0.000 1.059 48 G CA 0.029 45.137 45.100 0.013 0.000 1.050 48 G HN 0.559 nan 8.290 nan 0.000 0.508 49 V N -1.096 118.814 119.914 -0.007 0.000 3.502 49 V HA 0.588 4.707 4.120 -0.000 0.000 0.288 49 V C 1.822 177.891 176.094 -0.041 0.000 1.461 49 V CA 1.198 63.484 62.300 -0.023 0.000 1.029 49 V CB 0.659 32.466 31.823 -0.026 0.000 0.843 49 V HN 1.924 nan 8.190 nan 0.000 0.438 50 G N 0.140 108.914 108.800 -0.043 0.000 2.276 50 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.177 50 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.177 50 G C 0.700 175.537 174.900 -0.105 0.000 1.017 50 G CA 0.219 45.273 45.100 -0.077 0.000 0.750 50 G HN 0.303 nan 8.290 nan 0.000 0.506 51 K N 0.076 120.443 120.400 -0.055 0.000 1.971 51 K HA -0.085 4.235 4.320 -0.000 0.000 0.221 51 K C 2.490 179.001 176.600 -0.148 0.000 1.050 51 K CA 2.194 58.453 56.287 -0.047 0.000 0.967 51 K CB -0.439 32.096 32.500 0.058 0.000 0.733 51 K HN 0.209 nan 8.250 nan 0.000 0.445 52 T N 0.926 115.436 114.554 -0.072 0.000 2.867 52 T HA -0.085 4.264 4.350 -0.000 0.000 0.268 52 T C 2.117 176.746 174.700 -0.118 0.000 1.057 52 T CA 1.232 63.284 62.100 -0.079 0.000 1.136 52 T CB -0.161 68.698 68.868 -0.014 0.000 0.874 52 T HN 0.159 nan 8.240 nan 0.000 0.466 53 S N 1.123 116.761 115.700 -0.102 0.000 2.365 53 S HA -0.059 4.411 4.470 -0.000 0.000 0.225 53 S C 2.006 176.520 174.600 -0.144 0.000 1.039 53 S CA 0.979 59.122 58.200 -0.096 0.000 1.033 53 S CB -0.398 62.759 63.200 -0.072 0.000 0.887 53 S HN 0.398 nan 8.310 nan 0.000 0.447 54 I N 1.389 121.815 120.570 -0.240 0.000 2.142 54 I HA -0.224 3.945 4.170 -0.000 0.000 0.240 54 I C 2.774 178.657 176.117 -0.390 0.000 1.078 54 I CA 1.192 62.290 61.300 -0.337 0.000 1.343 54 I CB -0.931 36.780 38.000 -0.482 0.000 1.046 54 I HN 0.281 nan 8.210 nan 0.000 0.405 55 A N 1.156 123.627 122.820 -0.582 0.000 1.903 55 A HA -0.269 4.051 4.320 -0.000 0.000 0.219 55 A C 2.366 179.838 177.584 -0.187 0.000 1.191 55 A CA 1.868 53.615 52.037 -0.483 0.000 0.638 55 A CB -0.757 18.055 19.000 -0.313 0.000 0.823 55 A HN 0.371 nan 8.150 nan 0.000 0.451 56 R N -0.679 119.741 120.500 -0.133 0.000 2.120 56 R HA -0.036 4.304 4.340 -0.000 0.000 0.234 56 R C 2.056 178.318 176.300 -0.064 0.000 1.123 56 R CA 1.281 57.335 56.100 -0.077 0.000 0.975 56 R CB -0.528 29.738 30.300 -0.057 0.000 0.866 56 R HN 0.546 nan 8.270 nan 0.000 0.446 57 L N 0.407 121.620 121.223 -0.018 0.000 2.093 57 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 57 L C 2.407 179.338 176.870 0.102 0.000 1.085 57 L CA 0.640 55.539 54.840 0.099 0.000 0.755 57 L CB -0.436 41.834 42.059 0.351 0.000 0.904 57 L HN 0.175 nan 8.230 nan 0.000 0.435 58 L N 0.331 121.620 121.223 0.110 0.000 2.083 58 L HA -0.110 4.230 4.340 -0.000 0.000 0.209 58 L C 2.589 179.405 176.870 -0.090 0.000 1.083 58 L CA 1.863 56.738 54.840 0.058 0.000 0.752 58 L CB -0.723 41.357 42.059 0.035 0.000 0.899 58 L HN 0.126 nan 8.230 nan 0.000 0.433 59 A N -0.186 122.575 122.820 -0.099 0.000 1.841 59 A HA -0.268 4.052 4.320 -0.000 0.000 0.216 59 A C 2.260 179.733 177.584 -0.185 0.000 1.199 59 A CA 2.131 54.087 52.037 -0.134 0.000 0.621 59 A CB -0.639 18.294 19.000 -0.112 0.000 0.835 59 A HN 0.477 nan 8.150 nan 0.000 0.445 60 K N -0.972 119.307 120.400 -0.201 0.000 2.030 60 K HA -0.244 4.076 4.320 -0.000 0.000 0.222 60 K C 2.072 178.540 176.600 -0.220 0.000 1.056 60 K CA 1.722 57.866 56.287 -0.239 0.000 0.957 60 K CB -0.867 31.510 32.500 -0.206 0.000 0.727 60 K HN 0.512 nan 8.250 nan 0.000 0.452 61 G N 1.169 109.824 108.800 -0.242 0.000 2.469 61 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.219 61 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.219 61 G C 1.484 176.299 174.900 -0.141 0.000 1.150 61 G CA 1.143 46.099 45.100 -0.240 0.000 0.763 61 G HN 0.141 nan 8.290 nan 0.000 0.561 62 L N 0.023 121.164 121.223 -0.136 0.000 2.093 62 L HA 0.027 4.367 4.340 -0.000 0.000 0.208 62 L C 2.354 179.299 176.870 0.126 0.000 1.085 62 L CA 0.833 55.633 54.840 -0.068 0.000 0.755 62 L CB -0.218 41.667 42.059 -0.290 0.000 0.904 62 L HN 0.087 nan 8.230 nan 0.000 0.435 63 N N -1.136 117.572 118.700 0.013 0.000 2.392 63 N HA -0.000 4.739 4.740 -0.000 0.000 0.177 63 N C 0.389 175.886 175.510 -0.022 0.000 1.066 63 N CA -0.004 53.064 53.050 0.030 0.000 0.895 63 N CB -0.098 38.319 38.487 -0.117 0.000 0.988 63 N HN 0.195 nan 8.380 nan 0.000 0.457 64 C N 2.155 121.414 119.300 -0.068 0.000 2.465 64 C HA -0.046 4.414 4.460 -0.000 0.000 0.402 64 C C 1.936 176.910 174.990 -0.027 0.000 1.448 64 C CA -0.093 58.882 59.018 -0.073 0.000 1.589 64 C CB -0.462 27.222 27.740 -0.093 0.000 2.535 64 C HN 0.475 nan 8.230 nan 0.000 0.600 65 E N 1.711 121.899 120.200 -0.020 0.000 2.267 65 E HA -0.190 4.159 4.350 -0.000 0.000 0.197 65 E C 2.085 178.679 176.600 -0.009 0.000 0.998 65 E CA 1.817 58.215 56.400 -0.002 0.000 0.830 65 E CB 0.064 29.766 29.700 0.005 0.000 0.751 65 E HN 1.019 nan 8.360 nan 0.000 0.491 66 T N -2.333 112.208 114.554 -0.020 0.000 2.951 66 T HA 0.123 4.473 4.350 -0.000 0.000 0.268 66 T C 0.907 175.600 174.700 -0.013 0.000 1.073 66 T CA 0.693 62.781 62.100 -0.020 0.000 1.134 66 T CB 0.387 69.237 68.868 -0.030 0.000 0.884 66 T HN 0.247 nan 8.240 nan 0.000 0.479 67 G N 0.138 108.932 108.800 -0.009 0.000 2.359 67 G HA2 0.311 4.271 3.960 -0.000 0.000 0.293 67 G HA3 0.311 4.271 3.960 -0.000 0.000 0.293 67 G C -1.550 173.358 174.900 0.013 0.000 1.300 67 G CA -0.867 44.236 45.100 0.005 0.000 0.888 67 G HN 0.368 nan 8.290 nan 0.000 0.541 68 I N 1.601 122.196 120.570 0.042 0.000 2.436 68 I HA 0.410 4.580 4.170 -0.000 0.000 0.289 68 I C 0.721 176.836 176.117 -0.003 0.000 1.083 68 I CA 0.306 61.634 61.300 0.048 0.000 1.372 68 I CB 1.090 39.157 38.000 0.111 0.000 1.408 68 I HN 0.509 nan 8.210 nan 0.000 0.516 69 T N 4.048 118.569 114.554 -0.055 0.000 2.901 69 T HA 0.589 4.939 4.350 -0.000 0.000 0.293 69 T C 0.633 175.240 174.700 -0.156 0.000 1.084 69 T CA -0.150 61.898 62.100 -0.088 0.000 1.008 69 T CB 1.862 70.669 68.868 -0.103 0.000 1.170 69 T HN 0.590 nan 8.240 nan 0.000 0.509 70 A N 1.157 123.889 122.820 -0.146 0.000 2.081 70 A HA 0.233 4.552 4.320 -0.000 0.000 0.214 70 A C 1.317 178.649 177.584 -0.420 0.000 1.158 70 A CA 1.115 53.026 52.037 -0.211 0.000 0.724 70 A CB -0.276 18.707 19.000 -0.030 0.000 0.826 70 A HN 0.895 nan 8.150 nan 0.000 0.463 71 T N -0.697 113.698 114.554 -0.265 0.000 3.350 71 T HA 0.486 4.836 4.350 -0.000 0.000 0.246 71 T C -2.902 171.671 174.700 -0.212 0.000 1.284 71 T CA -1.851 60.116 62.100 -0.222 0.000 1.329 71 T CB 0.133 68.944 68.868 -0.094 0.000 1.033 71 T HN 0.020 nan 8.240 nan 0.000 0.632 72 P HA 0.114 nan 4.420 nan 0.000 0.265 72 P C 1.581 178.793 177.300 -0.146 0.000 1.193 72 P CA -0.551 62.418 63.100 -0.219 0.000 0.765 72 P CB 0.415 31.949 31.700 -0.276 0.000 0.823 73 C N 1.790 121.027 119.300 -0.105 0.000 2.491 73 C HA 0.157 4.617 4.460 -0.000 0.000 0.283 73 C C 1.817 176.765 174.990 -0.069 0.000 1.238 73 C CA 1.280 60.254 59.018 -0.073 0.000 1.735 73 C CB -1.932 25.776 27.740 -0.054 0.000 2.080 73 C HN 0.757 nan 8.230 nan 0.000 0.463 74 G N -0.733 108.024 108.800 -0.073 0.000 2.138 74 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.193 74 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.193 74 G C 0.248 175.120 174.900 -0.047 0.000 0.998 74 G CA 0.257 45.319 45.100 -0.064 0.000 0.668 74 G HN 1.165 nan 8.290 nan 0.000 0.516 75 V N -0.026 119.863 119.914 -0.041 0.000 3.398 75 V HA 0.198 4.318 4.120 -0.000 0.000 0.298 75 V C 1.498 177.579 176.094 -0.022 0.000 1.496 75 V CA 0.332 62.615 62.300 -0.028 0.000 1.044 75 V CB -0.111 31.697 31.823 -0.025 0.000 0.880 75 V HN 1.015 nan 8.190 nan 0.000 0.443 76 C N -1.345 117.940 119.300 -0.025 0.000 2.351 76 C HA 0.547 5.007 4.460 -0.000 0.000 0.359 76 C C 1.733 176.725 174.990 0.004 0.000 1.193 76 C CA -0.574 58.438 59.018 -0.011 0.000 2.270 76 C CB 1.244 28.976 27.740 -0.013 0.000 2.369 76 C HN 0.390 nan 8.230 nan 0.000 0.553 77 D N 1.281 121.694 120.400 0.022 0.000 2.170 77 D HA -0.168 4.472 4.640 -0.000 0.000 0.193 77 D C 1.620 177.975 176.300 0.092 0.000 1.004 77 D CA 1.950 55.979 54.000 0.048 0.000 0.860 77 D CB -0.310 40.518 40.800 0.047 0.000 0.931 77 D HN 0.672 nan 8.370 nan 0.000 0.448 78 N N -0.078 118.675 118.700 0.089 0.000 2.028 78 N HA -0.108 4.632 4.740 -0.000 0.000 0.194 78 N C 2.011 177.465 175.510 -0.093 0.000 1.050 78 N CA 1.012 54.114 53.050 0.086 0.000 0.848 78 N CB -0.841 37.660 38.487 0.022 0.000 1.038 78 N HN 0.218 nan 8.380 nan 0.000 0.423 79 C N 0.670 119.904 119.300 -0.109 0.000 2.413 79 C HA -0.036 4.424 4.460 -0.000 0.000 0.276 79 C C 2.609 177.551 174.990 -0.080 0.000 1.236 79 C CA 0.441 59.379 59.018 -0.134 0.000 1.735 79 C CB -0.990 26.686 27.740 -0.107 0.000 2.031 79 C HN 0.455 nan 8.230 nan 0.000 0.474 80 R N 0.596 121.076 120.500 -0.033 0.000 2.120 80 R HA -0.120 4.220 4.340 -0.000 0.000 0.234 80 R C 2.037 178.347 176.300 0.016 0.000 1.123 80 R CA 1.281 57.374 56.100 -0.012 0.000 0.975 80 R CB -0.246 30.053 30.300 -0.002 0.000 0.866 80 R HN 0.674 nan 8.270 nan 0.000 0.446 81 E N 0.061 120.299 120.200 0.064 0.000 2.216 81 E HA -0.078 4.271 4.350 -0.000 0.000 0.192 81 E C 1.845 178.530 176.600 0.142 0.000 0.988 81 E CA 0.642 57.127 56.400 0.141 0.000 0.834 81 E CB 0.150 30.018 29.700 0.279 0.000 0.772 81 E HN 0.371 nan 8.360 nan 0.000 0.479 82 I N 1.050 121.632 120.570 0.019 0.000 2.406 82 I HA -0.185 3.985 4.170 -0.000 0.000 0.249 82 I C 2.555 178.657 176.117 -0.025 0.000 1.122 82 I CA 0.868 62.140 61.300 -0.046 0.000 1.431 82 I CB -0.192 37.664 38.000 -0.240 0.000 1.087 82 I HN 0.111 nan 8.210 nan 0.000 0.424 83 E N 1.214 121.392 120.200 -0.036 0.000 2.209 83 E HA -0.244 4.105 4.350 -0.000 0.000 0.196 83 E C 1.658 178.248 176.600 -0.017 0.000 0.993 83 E CA 1.180 57.560 56.400 -0.033 0.000 0.819 83 E CB 0.173 29.849 29.700 -0.041 0.000 0.745 83 E HN 0.566 nan 8.360 nan 0.000 0.477 84 Q N -1.575 118.228 119.800 0.005 0.000 2.217 84 Q HA 0.191 4.530 4.340 -0.000 0.000 0.217 84 Q C 1.100 177.116 176.000 0.026 0.000 0.844 84 Q CA 0.304 56.113 55.803 0.010 0.000 0.957 84 Q CB 1.461 30.206 28.738 0.012 0.000 1.127 84 Q HN 0.424 nan 8.270 nan 0.000 0.503 85 G N 1.995 110.821 108.800 0.043 0.000 2.353 85 G HA2 -0.406 3.554 3.960 -0.000 0.000 0.258 85 G HA3 -0.406 3.554 3.960 -0.000 0.000 0.258 85 G C 1.037 175.986 174.900 0.081 0.000 1.013 85 G CA 0.728 45.864 45.100 0.060 0.000 0.622 85 G HN 0.335 nan 8.290 nan 0.000 0.535 86 R N -0.472 120.072 120.500 0.072 0.000 2.377 86 R HA 0.125 4.465 4.340 -0.000 0.000 0.207 86 R C 0.854 177.201 176.300 0.079 0.000 1.075 86 R CA 0.351 56.486 56.100 0.058 0.000 1.035 86 R CB -0.225 30.100 30.300 0.042 0.000 0.857 86 R HN 0.413 nan 8.270 nan 0.000 0.475 87 F N 0.125 120.067 119.950 -0.012 0.000 2.466 87 F HA 0.010 4.537 4.527 -0.000 0.000 0.363 87 F C 1.260 177.052 175.800 -0.014 0.000 1.109 87 F CA -0.311 57.680 58.000 -0.014 0.000 1.161 87 F CB 0.796 39.786 39.000 -0.017 0.000 1.117 87 F HN -0.302 nan 8.300 nan 0.000 0.539 88 V N 4.452 124.010 119.914 -0.593 0.000 2.688 88 V HA -0.242 3.877 4.120 -0.000 0.000 0.256 88 V C 0.946 176.807 176.094 -0.389 0.000 1.084 88 V CA 1.985 64.035 62.300 -0.417 0.000 1.103 88 V CB -0.563 31.030 31.823 -0.382 0.000 0.688 88 V HN 0.682 nan 8.190 nan 0.000 0.480 89 D N -0.830 119.174 120.400 -0.660 0.000 2.462 89 D HA 0.211 4.851 4.640 -0.000 0.000 0.221 89 D C 0.063 176.523 176.300 0.266 0.000 1.173 89 D CA -0.068 53.866 54.000 -0.110 0.000 0.831 89 D CB 0.868 41.637 40.800 -0.051 0.000 1.001 89 D HN 0.292 nan 8.370 nan 0.000 0.499 90 L N 1.607 123.045 121.223 0.359 0.000 2.426 90 L HA 0.392 4.731 4.340 -0.000 0.000 0.255 90 L C -0.545 176.375 176.870 0.083 0.000 1.080 90 L CA -0.437 54.501 54.840 0.164 0.000 0.960 90 L CB 0.166 42.323 42.059 0.163 0.000 1.326 90 L HN -0.122 nan 8.230 nan 0.000 0.441 91 I N 3.241 123.800 120.570 -0.018 0.000 2.680 91 I HA 0.003 4.173 4.170 -0.000 0.000 0.286 91 I C 0.561 176.766 176.117 0.146 0.000 1.144 91 I CA 0.562 61.901 61.300 0.065 0.000 1.370 91 I CB 0.183 38.247 38.000 0.107 0.000 1.420 91 I HN 0.607 nan 8.210 nan 0.000 0.540 92 E N 8.232 128.508 120.200 0.127 0.000 2.092 92 E HA 0.405 4.755 4.350 -0.000 0.000 0.271 92 E C -0.781 175.889 176.600 0.116 0.000 0.919 92 E CA -0.633 55.842 56.400 0.124 0.000 0.760 92 E CB 0.864 30.617 29.700 0.088 0.000 1.106 92 E HN 0.493 nan 8.360 nan 0.000 0.408 93 I N 3.517 124.166 120.570 0.132 0.000 2.331 93 I HA 0.127 4.296 4.170 -0.000 0.000 0.292 93 I C 0.052 176.203 176.117 0.058 0.000 0.998 93 I CA -0.747 60.611 61.300 0.096 0.000 1.267 93 I CB 1.236 39.297 38.000 0.101 0.000 1.386 93 I HN 0.518 nan 8.210 nan 0.000 0.476 94 D N 5.795 126.216 120.400 0.036 0.000 2.470 94 D HA 0.249 4.889 4.640 -0.000 0.000 0.226 94 D C 0.993 177.286 176.300 -0.011 0.000 1.196 94 D CA -0.131 53.878 54.000 0.015 0.000 0.979 94 D CB 1.247 42.056 40.800 0.016 0.000 1.059 94 D HN 0.651 nan 8.370 nan 0.000 0.515 95 A N 3.571 126.372 122.820 -0.031 0.000 1.978 95 A HA -0.075 4.245 4.320 -0.000 0.000 0.220 95 A C 2.077 179.608 177.584 -0.087 0.000 1.170 95 A CA 1.628 53.622 52.037 -0.073 0.000 0.636 95 A CB -0.304 18.634 19.000 -0.103 0.000 0.810 95 A HN 0.582 nan 8.150 nan 0.000 0.448 96 A N -1.364 121.409 122.820 -0.078 0.000 2.119 96 A HA 0.099 4.419 4.320 -0.000 0.000 0.216 96 A C 2.274 179.841 177.584 -0.027 0.000 1.152 96 A CA 1.785 53.785 52.037 -0.062 0.000 0.708 96 A CB -0.408 18.567 19.000 -0.042 0.000 0.805 96 A HN 0.528 nan 8.150 nan 0.000 0.460 97 S N -0.929 114.758 115.700 -0.021 0.000 2.460 97 S HA 0.129 4.599 4.470 -0.000 0.000 0.226 97 S C 1.150 175.741 174.600 -0.016 0.000 1.057 97 S CA -0.126 58.068 58.200 -0.009 0.000 0.948 97 S CB -0.023 63.177 63.200 0.001 0.000 0.822 97 S HN 0.509 nan 8.310 nan 0.000 0.512 98 R N 2.154 122.640 120.500 -0.022 0.000 3.256 98 R HA 0.212 4.551 4.340 -0.000 0.000 0.263 98 R C 0.716 176.985 176.300 -0.052 0.000 1.388 98 R CA 0.317 56.401 56.100 -0.026 0.000 1.580 98 R CB 0.418 30.712 30.300 -0.011 0.000 1.255 98 R HN 0.523 nan 8.270 nan 0.000 0.640 99 T N -2.585 111.933 114.554 -0.059 0.000 3.037 99 T HA 0.102 4.452 4.350 -0.000 0.000 0.252 99 T C 0.719 175.364 174.700 -0.091 0.000 1.073 99 T CA 0.028 62.073 62.100 -0.091 0.000 1.091 99 T CB 0.371 69.195 68.868 -0.074 0.000 0.935 99 T HN 0.143 nan 8.240 nan 0.000 0.488 100 K N 0.998 121.360 120.400 -0.063 0.000 2.219 100 K HA 0.364 4.684 4.320 -0.000 0.000 0.258 100 K C 1.160 177.723 176.600 -0.061 0.000 1.008 100 K CA -0.400 55.852 56.287 -0.058 0.000 0.928 100 K CB 1.087 33.560 32.500 -0.046 0.000 0.983 100 K HN -0.167 nan 8.250 nan 0.000 0.484 101 V N 1.710 121.590 119.914 -0.056 0.000 2.270 101 V HA -0.222 3.898 4.120 -0.000 0.000 0.245 101 V C 2.086 178.157 176.094 -0.039 0.000 1.043 101 V CA 1.662 63.937 62.300 -0.041 0.000 1.014 101 V CB -0.466 31.340 31.823 -0.028 0.000 0.645 101 V HN 0.712 nan 8.190 nan 0.000 0.447 102 E N 0.101 120.278 120.200 -0.039 0.000 2.070 102 E HA -0.264 4.086 4.350 -0.000 0.000 0.197 102 E C 2.004 178.589 176.600 -0.024 0.000 1.004 102 E CA 1.593 57.977 56.400 -0.027 0.000 0.805 102 E CB -0.596 29.089 29.700 -0.026 0.000 0.744 102 E HN 0.579 nan 8.360 nan 0.000 0.451 103 D N 0.082 120.464 120.400 -0.029 0.000 2.126 103 D HA -0.156 4.484 4.640 -0.000 0.000 0.190 103 D C 2.094 178.375 176.300 -0.030 0.000 1.001 103 D CA 2.489 56.474 54.000 -0.025 0.000 0.841 103 D CB -0.436 40.346 40.800 -0.030 0.000 0.949 103 D HN 0.373 nan 8.370 nan 0.000 0.446 104 T N -1.765 112.759 114.554 -0.050 0.000 3.088 104 T HA 0.052 4.401 4.350 -0.000 0.000 0.259 104 T C 1.828 176.492 174.700 -0.060 0.000 1.122 104 T CA 0.228 62.288 62.100 -0.067 0.000 1.095 104 T CB 0.126 68.931 68.868 -0.104 0.000 0.930 104 T HN 0.008 nan 8.240 nan 0.000 0.508 105 R N 0.771 121.246 120.500 -0.041 0.000 2.148 105 R HA 0.020 4.359 4.340 -0.000 0.000 0.223 105 R C 1.851 178.137 176.300 -0.022 0.000 1.088 105 R CA 1.327 57.409 56.100 -0.031 0.000 0.985 105 R CB -0.094 30.195 30.300 -0.019 0.000 0.880 105 R HN 0.436 nan 8.270 nan 0.000 0.451 106 D N 0.840 121.232 120.400 -0.013 0.000 2.097 106 D HA -0.179 4.461 4.640 -0.000 0.000 0.197 106 D C 1.871 178.174 176.300 0.005 0.000 0.984 106 D CA 0.674 54.678 54.000 0.008 0.000 0.826 106 D CB -0.255 40.557 40.800 0.020 0.000 0.973 106 D HN 0.048 nan 8.370 nan 0.000 0.460 107 L N 1.007 122.218 121.223 -0.020 0.000 1.997 107 L HA -0.207 4.133 4.340 -0.000 0.000 0.216 107 L C 2.338 179.144 176.870 -0.106 0.000 1.074 107 L CA 1.513 56.312 54.840 -0.068 0.000 0.763 107 L CB -0.849 41.140 42.059 -0.116 0.000 0.890 107 L HN 0.113 nan 8.230 nan 0.000 0.434 108 L N -0.666 120.507 121.223 -0.083 0.000 2.046 108 L HA -0.250 4.090 4.340 -0.000 0.000 0.208 108 L C 2.274 179.109 176.870 -0.058 0.000 1.077 108 L CA 1.487 56.287 54.840 -0.066 0.000 0.747 108 L CB -0.775 41.253 42.059 -0.052 0.000 0.896 108 L HN 0.258 nan 8.230 nan 0.000 0.432 109 D N -0.002 120.371 120.400 -0.045 0.000 2.144 109 D HA -0.134 4.506 4.640 -0.000 0.000 0.199 109 D C 1.474 177.704 176.300 -0.117 0.000 0.984 109 D CA 1.009 54.969 54.000 -0.067 0.000 0.834 109 D CB -0.304 40.484 40.800 -0.021 0.000 0.955 109 D HN 0.213 nan 8.370 nan 0.000 0.465 110 N N -0.078 118.623 118.700 0.001 0.000 2.362 110 N HA 0.010 4.750 4.740 -0.000 0.000 0.204 110 N C 1.248 176.847 175.510 0.149 0.000 1.166 110 N CA -0.021 53.097 53.050 0.114 0.000 0.831 110 N CB 0.570 39.198 38.487 0.234 0.000 1.008 110 N HN 0.042 nan 8.380 nan 0.000 0.472 111 V N 0.977 120.910 119.914 0.031 0.000 2.341 111 V HA -0.195 3.924 4.120 -0.000 0.000 0.240 111 V C 2.461 178.600 176.094 0.075 0.000 1.035 111 V CA 1.353 63.717 62.300 0.107 0.000 1.033 111 V CB -0.474 31.360 31.823 0.018 0.000 0.678 111 V HN 0.397 nan 8.190 nan 0.000 0.464 112 Q N 0.072 119.823 119.800 -0.082 0.000 2.268 112 Q HA -0.263 4.077 4.340 -0.000 0.000 0.213 112 Q C 0.450 176.515 176.000 0.109 0.000 0.995 112 Q CA 1.863 57.633 55.803 -0.055 0.000 0.901 112 Q CB -0.746 27.853 28.738 -0.232 0.000 0.921 112 Q HN 0.673 nan 8.270 nan 0.000 0.421 113 Y N 1.487 121.907 120.300 0.199 0.000 2.496 113 Y HA 0.309 4.859 4.550 -0.000 0.000 0.334 113 Y C 0.984 176.980 175.900 0.161 0.000 1.080 113 Y CA -0.744 57.435 58.100 0.132 0.000 1.355 113 Y CB 0.397 38.908 38.460 0.086 0.000 1.193 113 Y HN 0.237 nan 8.280 nan 0.000 0.523 114 A N 6.845 129.703 122.820 0.064 0.000 2.536 114 A HA 0.152 4.472 4.320 -0.000 0.000 0.234 114 A C -2.101 175.483 177.584 0.000 0.000 1.076 114 A CA -1.122 50.761 52.037 -0.257 0.000 0.769 114 A CB -0.436 18.364 19.000 -0.332 0.000 1.020 114 A HN 0.517 nan 8.150 nan 0.000 0.508 115 P HA 0.360 nan 4.420 nan 0.000 0.276 115 P C 0.511 177.791 177.300 -0.033 0.000 1.244 115 P CA 0.318 63.437 63.100 0.031 0.000 0.801 115 P CB 1.226 32.959 31.700 0.055 0.000 1.006 116 A N 3.252 126.034 122.820 -0.063 0.000 2.243 116 A HA -0.066 4.254 4.320 -0.000 0.000 0.195 116 A C 1.890 179.418 177.584 -0.092 0.000 1.405 116 A CA 0.996 52.976 52.037 -0.095 0.000 0.651 116 A CB -0.963 17.951 19.000 -0.142 0.000 1.010 116 A HN 0.541 nan 8.150 nan 0.000 0.506 117 R N -0.329 120.092 120.500 -0.131 0.000 2.388 117 R HA 0.226 4.566 4.340 -0.000 0.000 0.247 117 R C 0.428 176.722 176.300 -0.010 0.000 0.931 117 R CA 0.344 56.394 56.100 -0.083 0.000 1.082 117 R CB -0.125 30.114 30.300 -0.102 0.000 1.135 117 R HN 0.605 nan 8.270 nan 0.000 0.525 118 G N -0.955 107.855 108.800 0.016 0.000 2.644 118 G HA2 0.166 4.125 3.960 -0.000 0.000 0.307 118 G HA3 0.166 4.125 3.960 -0.000 0.000 0.307 118 G C -0.148 174.802 174.900 0.084 0.000 1.250 118 G CA -0.600 44.610 45.100 0.183 0.000 0.996 118 G HN 0.116 nan 8.290 nan 0.000 0.489 119 R N -1.220 119.332 120.500 0.086 0.000 2.090 119 R HA 0.245 4.584 4.340 -0.000 0.000 0.219 119 R C -0.274 175.867 176.300 -0.265 0.000 1.100 119 R CA 0.614 56.650 56.100 -0.106 0.000 0.991 119 R CB -0.040 30.193 30.300 -0.111 0.000 0.893 119 R HN 0.320 nan 8.270 nan 0.000 0.443 120 F N 0.703 120.696 119.950 0.072 0.000 2.522 120 F HA 0.411 4.938 4.527 -0.000 0.000 0.324 120 F C -0.211 175.614 175.800 0.041 0.000 1.077 120 F CA -0.943 57.090 58.000 0.056 0.000 0.944 120 F CB 1.708 40.717 39.000 0.015 0.000 1.175 120 F HN -0.263 nan 8.300 nan 0.000 0.468 121 K N 2.174 122.688 120.400 0.191 0.000 2.262 121 K HA 0.534 4.854 4.320 -0.000 0.000 0.282 121 K C -1.441 175.055 176.600 -0.174 0.000 1.066 121 K CA -0.271 56.002 56.287 -0.023 0.000 0.901 121 K CB 0.918 33.396 32.500 -0.036 0.000 1.089 121 K HN 0.482 nan 8.250 nan 0.000 0.476 122 V N 6.504 126.297 119.914 -0.202 0.000 2.313 122 V HA 0.215 4.335 4.120 -0.000 0.000 0.278 122 V C -0.944 175.002 176.094 -0.247 0.000 1.017 122 V CA -0.766 61.426 62.300 -0.180 0.000 0.823 122 V CB 0.354 32.152 31.823 -0.041 0.000 1.010 122 V HN 0.620 nan 8.190 nan 0.000 0.443 123 Y N 5.023 125.347 120.300 0.041 0.000 2.319 123 Y HA 0.471 5.021 4.550 -0.000 0.000 0.328 123 Y C 0.148 176.187 175.900 0.233 0.000 1.133 123 Y CA -0.490 57.719 58.100 0.182 0.000 1.265 123 Y CB 1.142 39.819 38.460 0.361 0.000 1.218 123 Y HN 0.506 nan 8.280 nan 0.000 0.508 124 L N 5.349 126.764 121.223 0.320 0.000 2.433 124 L HA 0.514 4.854 4.340 -0.000 0.000 0.256 124 L C -1.519 175.480 176.870 0.216 0.000 1.063 124 L CA -0.631 54.357 54.840 0.246 0.000 0.922 124 L CB -0.120 42.029 42.059 0.151 0.000 1.238 124 L HN 0.418 nan 8.230 nan 0.000 0.466 125 I N 3.293 124.000 120.570 0.229 0.000 2.436 125 I HA 0.314 4.484 4.170 -0.000 0.000 0.289 125 I C 0.205 176.394 176.117 0.120 0.000 1.083 125 I CA 0.389 61.773 61.300 0.140 0.000 1.372 125 I CB 0.545 38.599 38.000 0.090 0.000 1.408 125 I HN 0.518 nan 8.210 nan 0.000 0.516 126 D N 4.962 125.409 120.400 0.078 0.000 2.342 126 D HA 0.384 5.024 4.640 -0.000 0.000 0.243 126 D C -0.239 176.064 176.300 0.004 0.000 1.019 126 D CA -0.099 53.939 54.000 0.065 0.000 0.864 126 D CB 1.110 41.947 40.800 0.060 0.000 1.315 126 D HN 0.402 nan 8.370 nan 0.000 0.468 127 E N 1.094 121.289 120.200 -0.008 0.000 2.513 127 E HA -0.158 4.192 4.350 -0.000 0.000 0.257 127 E C 0.982 177.360 176.600 -0.371 0.000 1.098 127 E CA 0.366 56.667 56.400 -0.165 0.000 0.752 127 E CB -1.891 27.742 29.700 -0.111 0.000 1.324 127 E HN 0.306 nan 8.360 nan 0.000 0.403 128 V N 1.392 121.218 119.914 -0.146 0.000 2.759 128 V HA -0.221 3.899 4.120 -0.000 0.000 0.256 128 V C 2.272 178.380 176.094 0.023 0.000 1.080 128 V CA 2.251 64.524 62.300 -0.045 0.000 1.101 128 V CB -0.587 31.302 31.823 0.108 0.000 0.698 128 V HN 0.613 nan 8.190 nan 0.000 0.477 129 H N -1.755 117.433 119.070 0.196 0.000 2.568 129 H HA -0.014 4.542 4.556 -0.000 0.000 0.281 129 H C 1.553 177.016 175.328 0.225 0.000 1.028 129 H CA 0.708 56.911 56.048 0.259 0.000 1.199 129 H CB -0.211 29.645 29.762 0.156 0.000 1.352 129 H HN 0.393 nan 8.280 nan 0.000 0.605 130 M N 0.884 120.420 119.600 -0.106 0.000 2.414 130 M HA 0.204 4.683 4.480 -0.000 0.000 0.251 130 M C 0.647 176.885 176.300 -0.104 0.000 1.116 130 M CA -0.153 55.121 55.300 -0.043 0.000 1.056 130 M CB 0.318 32.837 32.600 -0.136 0.000 1.388 130 M HN 0.135 nan 8.290 nan 0.000 0.487 131 L N 2.198 123.244 121.223 -0.294 0.000 2.540 131 L HA -0.013 4.327 4.340 -0.000 0.000 0.276 131 L C 1.202 177.804 176.870 -0.447 0.000 1.212 131 L CA -0.268 54.270 54.840 -0.504 0.000 0.893 131 L CB 0.014 41.502 42.059 -0.951 0.000 1.138 131 L HN 0.317 nan 8.230 nan 0.000 0.491 132 S N 3.400 118.968 115.700 -0.220 0.000 2.553 132 S HA -0.107 4.363 4.470 -0.000 0.000 0.271 132 S C 1.235 175.855 174.600 0.033 0.000 1.362 132 S CA 0.112 58.286 58.200 -0.044 0.000 1.010 132 S CB 0.568 63.769 63.200 0.002 0.000 0.865 132 S HN 0.786 nan 8.310 nan 0.000 0.543 133 R N 0.582 121.193 120.500 0.186 0.000 2.094 133 R HA -0.206 4.134 4.340 -0.000 0.000 0.239 133 R C 2.066 178.468 176.300 0.170 0.000 1.137 133 R CA 2.310 58.558 56.100 0.247 0.000 0.943 133 R CB -0.897 29.493 30.300 0.150 0.000 0.850 133 R HN 0.904 nan 8.270 nan 0.000 0.433 134 H N -0.536 118.563 119.070 0.048 0.000 2.387 134 H HA -0.021 4.535 4.556 -0.000 0.000 0.299 134 H C 2.305 177.623 175.328 -0.016 0.000 1.099 134 H CA 1.984 58.043 56.048 0.018 0.000 1.315 134 H CB 0.031 29.790 29.762 -0.004 0.000 1.380 134 H HN 0.189 nan 8.280 nan 0.000 0.513 135 S N -0.550 115.173 115.700 0.037 0.000 2.383 135 S HA -0.111 4.359 4.470 -0.000 0.000 0.227 135 S C 1.756 176.276 174.600 -0.134 0.000 1.026 135 S CA 0.844 58.981 58.200 -0.106 0.000 0.981 135 S CB -0.263 62.797 63.200 -0.232 0.000 0.818 135 S HN 0.288 nan 8.310 nan 0.000 0.472 136 F N 2.567 122.507 119.950 -0.018 0.000 2.026 136 F HA -0.170 4.357 4.527 -0.000 0.000 0.296 136 F C 2.475 178.242 175.800 -0.056 0.000 1.133 136 F CA 1.261 59.234 58.000 -0.044 0.000 1.188 136 F CB -0.602 38.377 39.000 -0.035 0.000 0.968 136 F HN 0.218 nan 8.300 nan 0.000 0.476 137 N N 0.495 119.283 118.700 0.147 0.000 2.137 137 N HA -0.248 4.491 4.740 -0.000 0.000 0.190 137 N C 1.948 177.468 175.510 0.017 0.000 1.017 137 N CA 1.225 54.302 53.050 0.045 0.000 0.859 137 N CB -0.514 37.963 38.487 -0.017 0.000 1.002 137 N HN 0.295 nan 8.380 nan 0.000 0.428 138 A N 2.163 124.990 122.820 0.012 0.000 1.903 138 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 138 A C 2.299 179.862 177.584 -0.035 0.000 1.191 138 A CA 1.213 53.243 52.037 -0.011 0.000 0.638 138 A CB -0.789 18.199 19.000 -0.020 0.000 0.823 138 A HN 0.218 nan 8.150 nan 0.000 0.451 139 L N -0.740 120.451 121.223 -0.054 0.000 2.217 139 L HA -0.112 4.228 4.340 -0.000 0.000 0.211 139 L C 2.452 179.282 176.870 -0.066 0.000 1.107 139 L CA 0.466 55.241 54.840 -0.108 0.000 0.783 139 L CB -0.775 41.181 42.059 -0.171 0.000 0.919 139 L HN 0.387 nan 8.230 nan 0.000 0.442 140 L N 0.067 121.278 121.223 -0.020 0.000 1.991 140 L HA -0.296 4.043 4.340 -0.000 0.000 0.221 140 L C 2.839 179.705 176.870 -0.006 0.000 1.079 140 L CA 1.562 56.398 54.840 -0.007 0.000 0.778 140 L CB -0.542 41.516 42.059 -0.001 0.000 0.893 140 L HN 0.267 nan 8.230 nan 0.000 0.437 141 K N -0.540 119.855 120.400 -0.009 0.000 2.097 141 K HA -0.082 4.237 4.320 -0.000 0.000 0.205 141 K C 2.050 178.648 176.600 -0.004 0.000 1.050 141 K CA 1.640 57.924 56.287 -0.006 0.000 0.938 141 K CB -0.709 31.787 32.500 -0.007 0.000 0.718 141 K HN 0.399 nan 8.250 nan 0.000 0.442 142 T N 1.613 116.166 114.554 -0.002 0.000 2.809 142 T HA -0.074 4.276 4.350 -0.000 0.000 0.260 142 T C 1.774 176.519 174.700 0.075 0.000 1.039 142 T CA 0.481 62.601 62.100 0.033 0.000 1.141 142 T CB -0.260 68.640 68.868 0.054 0.000 0.869 142 T HN 0.001 nan 8.240 nan 0.000 0.437 143 L N 1.646 122.889 121.223 0.033 0.000 2.187 143 L HA -0.041 4.299 4.340 -0.000 0.000 0.213 143 L C 2.330 179.286 176.870 0.143 0.000 1.100 143 L CA 1.711 56.601 54.840 0.083 0.000 0.765 143 L CB -0.540 41.495 42.059 -0.041 0.000 0.904 143 L HN 0.325 nan 8.230 nan 0.000 0.437 144 E N -0.656 119.581 120.200 0.062 0.000 2.190 144 E HA -0.101 4.248 4.350 -0.000 0.000 0.191 144 E C 0.420 176.981 176.600 -0.066 0.000 0.978 144 E CA 0.612 57.058 56.400 0.077 0.000 0.839 144 E CB 0.250 29.981 29.700 0.052 0.000 0.787 144 E HN 0.570 nan 8.360 nan 0.000 0.473 145 E N 0.996 121.121 120.200 -0.125 0.000 4.170 145 E HA 0.227 4.577 4.350 -0.000 0.000 0.215 145 E C -2.505 173.997 176.600 -0.162 0.000 1.119 145 E CA -1.549 54.753 56.400 -0.162 0.000 1.396 145 E CB 1.571 31.233 29.700 -0.064 0.000 1.182 145 E HN 0.198 nan 8.360 nan 0.000 0.438 146 P HA 0.135 nan 4.420 nan 0.000 0.274 146 P C -2.559 174.663 177.300 -0.129 0.000 1.260 146 P CA -1.104 61.915 63.100 -0.135 0.000 0.793 146 P CB 0.008 31.625 31.700 -0.137 0.000 1.048 147 P HA 0.104 nan 4.420 nan 0.000 0.278 147 P C 0.590 177.846 177.300 -0.073 0.000 1.238 147 P CA -0.284 62.764 63.100 -0.087 0.000 0.794 147 P CB 0.331 31.926 31.700 -0.175 0.000 0.955 148 E N 1.529 121.763 120.200 0.057 0.000 2.219 148 E HA -0.300 4.050 4.350 -0.000 0.000 0.198 148 E C 1.082 177.780 176.600 0.163 0.000 0.998 148 E CA 1.331 57.796 56.400 0.108 0.000 0.818 148 E CB -0.696 29.071 29.700 0.111 0.000 0.741 148 E HN 0.604 nan 8.360 nan 0.000 0.477 149 H N 0.106 119.215 119.070 0.065 0.000 2.533 149 H HA 0.281 4.837 4.556 -0.000 0.000 0.271 149 H C -0.101 175.320 175.328 0.155 0.000 1.000 149 H CA -0.115 55.964 56.048 0.051 0.000 1.149 149 H CB -0.136 29.611 29.762 -0.026 0.000 1.375 149 H HN 0.002 nan 8.280 nan 0.000 0.582 150 V N 1.840 121.665 119.914 -0.149 0.000 2.628 150 V HA 0.372 4.492 4.120 -0.000 0.000 0.306 150 V C -0.284 175.760 176.094 -0.083 0.000 1.045 150 V CA -0.909 61.276 62.300 -0.192 0.000 0.905 150 V CB 2.126 33.723 31.823 -0.376 0.000 0.997 150 V HN 0.138 nan 8.190 nan 0.000 0.436 151 K N 3.505 123.814 120.400 -0.151 0.000 2.507 151 K HA 0.558 4.878 4.320 -0.000 0.000 0.251 151 K C -1.393 175.146 176.600 -0.101 0.000 0.943 151 K CA -0.262 55.978 56.287 -0.078 0.000 0.794 151 K CB 2.108 34.527 32.500 -0.134 0.000 1.188 151 K HN 0.502 nan 8.250 nan 0.000 0.428 152 F N 2.890 123.002 119.950 0.269 0.000 2.415 152 F HA 0.453 4.980 4.527 -0.000 0.000 0.348 152 F C 0.300 176.277 175.800 0.294 0.000 1.119 152 F CA -0.909 57.263 58.000 0.287 0.000 1.069 152 F CB 1.174 40.329 39.000 0.259 0.000 1.124 152 F HN 0.074 nan 8.300 nan 0.000 0.472 153 L N 5.990 127.518 121.223 0.509 0.000 2.316 153 L HA 0.472 4.812 4.340 -0.000 0.000 0.280 153 L C -0.956 176.153 176.870 0.398 0.000 1.006 153 L CA -0.532 54.574 54.840 0.444 0.000 0.836 153 L CB 1.569 43.830 42.059 0.337 0.000 1.221 153 L HN 0.522 nan 8.230 nan 0.000 0.418 154 L N 3.699 125.161 121.223 0.399 0.000 2.298 154 L HA 0.729 5.069 4.340 -0.000 0.000 0.284 154 L C -0.070 177.005 176.870 0.342 0.000 1.013 154 L CA -0.347 54.670 54.840 0.295 0.000 0.824 154 L CB 1.832 44.015 42.059 0.207 0.000 1.221 154 L HN 0.663 nan 8.230 nan 0.000 0.418 155 A N 2.494 125.482 122.820 0.280 0.000 2.365 155 A HA 0.877 5.197 4.320 -0.000 0.000 0.318 155 A C -0.524 177.186 177.584 0.210 0.000 1.091 155 A CA -0.488 51.715 52.037 0.277 0.000 0.763 155 A CB 2.150 21.282 19.000 0.220 0.000 1.248 155 A HN 0.540 nan 8.150 nan 0.000 0.442 156 T N -0.188 114.505 114.554 0.233 0.000 2.886 156 T HA 0.425 4.775 4.350 -0.000 0.000 0.330 156 T C 0.906 175.757 174.700 0.252 0.000 1.488 156 T CA 0.363 62.627 62.100 0.274 0.000 1.054 156 T CB 1.045 70.122 68.868 0.348 0.000 1.348 156 T HN 0.709 nan 8.240 nan 0.000 0.489 157 T N 0.760 115.471 114.554 0.261 0.000 2.896 157 T HA 0.085 4.435 4.350 -0.000 0.000 0.263 157 T C 0.531 175.287 174.700 0.092 0.000 1.050 157 T CA 0.735 62.923 62.100 0.148 0.000 1.140 157 T CB -0.069 68.857 68.868 0.098 0.000 0.877 157 T HN 0.504 nan 8.240 nan 0.000 0.457 158 D N 1.761 122.191 120.400 0.050 0.000 2.517 158 D HA 0.236 4.875 4.640 -0.000 0.000 0.301 158 D C -1.812 174.512 176.300 0.040 0.000 1.202 158 D CA -2.431 51.546 54.000 -0.038 0.000 0.910 158 D CB 1.194 41.826 40.800 -0.279 0.000 1.021 158 D HN 0.070 nan 8.370 nan 0.000 0.499 159 P HA -0.127 nan 4.420 nan 0.000 0.226 159 P C 1.337 178.636 177.300 -0.001 0.000 1.153 159 P CA 0.426 63.560 63.100 0.057 0.000 0.777 159 P CB 0.600 32.331 31.700 0.051 0.000 0.794 160 Q N 1.014 120.805 119.800 -0.014 0.000 2.182 160 Q HA -0.210 4.130 4.340 -0.000 0.000 0.213 160 Q C 1.984 177.957 176.000 -0.046 0.000 1.000 160 Q CA 1.747 57.528 55.803 -0.036 0.000 0.889 160 Q CB -0.603 28.115 28.738 -0.034 0.000 0.932 160 Q HN 0.483 nan 8.270 nan 0.000 0.415 161 K N 0.292 120.681 120.400 -0.018 0.000 2.167 161 K HA 0.049 4.369 4.320 -0.000 0.000 0.203 161 K C 0.898 177.414 176.600 -0.141 0.000 1.052 161 K CA 0.073 56.352 56.287 -0.012 0.000 0.956 161 K CB -0.100 32.459 32.500 0.098 0.000 0.735 161 K HN 0.194 nan 8.250 nan 0.000 0.451 162 L N 3.280 124.379 121.223 -0.207 0.000 2.499 162 L HA 0.067 4.407 4.340 -0.000 0.000 0.273 162 L C -2.177 174.413 176.870 -0.467 0.000 1.195 162 L CA -1.886 52.619 54.840 -0.558 0.000 0.882 162 L CB -0.615 41.252 42.059 -0.320 0.000 1.133 162 L HN -0.176 nan 8.230 nan 0.000 0.483 163 P HA -0.127 nan 4.420 nan 0.000 0.263 163 P C 0.779 177.940 177.300 -0.232 0.000 1.175 163 P CA 0.201 63.090 63.100 -0.351 0.000 0.761 163 P CB 0.679 32.168 31.700 -0.351 0.000 0.794 164 V N 3.287 123.109 119.914 -0.154 0.000 2.867 164 V HA -0.206 3.914 4.120 -0.000 0.000 0.260 164 V C 1.604 177.641 176.094 -0.095 0.000 1.099 164 V CA 2.789 65.021 62.300 -0.114 0.000 1.122 164 V CB -1.268 30.502 31.823 -0.087 0.000 0.708 164 V HN 0.707 nan 8.190 nan 0.000 0.490 165 T N -1.058 113.439 114.554 -0.094 0.000 2.904 165 T HA -0.047 4.302 4.350 -0.000 0.000 0.267 165 T C 1.885 176.551 174.700 -0.057 0.000 1.059 165 T CA 1.337 63.398 62.100 -0.064 0.000 1.137 165 T CB -0.225 68.612 68.868 -0.052 0.000 0.879 165 T HN 0.369 nan 8.240 nan 0.000 0.467 166 I N 1.163 121.680 120.570 -0.089 0.000 2.233 166 I HA 0.035 4.205 4.170 -0.000 0.000 0.243 166 I C 2.389 178.469 176.117 -0.063 0.000 1.093 166 I CA 0.936 62.197 61.300 -0.064 0.000 1.380 166 I CB -1.002 36.935 38.000 -0.105 0.000 1.067 166 I HN 0.258 nan 8.210 nan 0.000 0.413 167 L N 0.067 121.234 121.223 -0.094 0.000 2.046 167 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 167 L C 2.640 179.458 176.870 -0.087 0.000 1.077 167 L CA 1.379 56.163 54.840 -0.094 0.000 0.747 167 L CB -0.678 41.319 42.059 -0.103 0.000 0.896 167 L HN 0.166 nan 8.230 nan 0.000 0.432 168 S N -0.276 115.382 115.700 -0.070 0.000 2.462 168 S HA -0.178 4.291 4.470 -0.000 0.000 0.243 168 S C 1.889 176.468 174.600 -0.035 0.000 1.003 168 S CA 1.306 59.472 58.200 -0.056 0.000 0.970 168 S CB -0.193 62.982 63.200 -0.041 0.000 0.762 168 S HN 0.367 nan 8.310 nan 0.000 0.510 169 R N -0.911 119.580 120.500 -0.016 0.000 2.393 169 R HA 0.311 4.651 4.340 -0.000 0.000 0.244 169 R C -0.295 176.042 176.300 0.061 0.000 0.920 169 R CA -0.176 55.955 56.100 0.051 0.000 1.076 169 R CB 0.358 30.705 30.300 0.079 0.000 1.119 169 R HN 0.327 nan 8.270 nan 0.000 0.524 170 C N 0.210 119.463 119.300 -0.078 0.000 2.719 170 C HA 0.507 4.966 4.460 -0.000 0.000 0.327 170 C C -0.054 174.637 174.990 -0.498 0.000 1.238 170 C CA -1.206 57.684 59.018 -0.214 0.000 1.727 170 C CB 1.438 29.078 27.740 -0.166 0.000 2.256 170 C HN 0.245 nan 8.230 nan 0.000 0.489 171 L N 1.919 122.652 121.223 -0.817 0.000 2.305 171 L HA 0.480 4.820 4.340 -0.000 0.000 0.281 171 L C 0.035 176.377 176.870 -0.880 0.000 1.085 171 L CA 0.157 54.421 54.840 -0.960 0.000 0.813 171 L CB 0.603 41.870 42.059 -1.319 0.000 1.157 171 L HN 0.707 nan 8.230 nan 0.000 0.436 172 Q N 2.457 121.802 119.800 -0.757 0.000 2.312 172 Q HA 0.483 4.823 4.340 -0.000 0.000 0.263 172 Q C -1.757 173.890 176.000 -0.588 0.000 0.995 172 Q CA -0.625 54.850 55.803 -0.545 0.000 0.853 172 Q CB 1.578 30.154 28.738 -0.270 0.000 1.300 172 Q HN 0.412 nan 8.270 nan 0.000 0.448 173 F N 2.704 122.561 119.950 -0.156 0.000 2.513 173 F HA 0.229 4.755 4.527 -0.000 0.000 0.358 173 F C -0.373 175.490 175.800 0.105 0.000 1.118 173 F CA -0.832 57.141 58.000 -0.044 0.000 1.037 173 F CB 0.966 39.888 39.000 -0.130 0.000 1.276 173 F HN 0.608 nan 8.300 nan 0.000 0.446 174 H N 3.933 123.150 119.070 0.245 0.000 2.767 174 H HA 0.406 4.962 4.556 -0.000 0.000 0.316 174 H C -0.582 174.924 175.328 0.297 0.000 1.059 174 H CA -0.071 56.100 56.048 0.206 0.000 1.461 174 H CB 0.639 30.476 29.762 0.124 0.000 1.475 174 H HN 0.518 nan 8.280 nan 0.000 0.531 175 L N 5.348 126.466 121.223 -0.174 0.000 2.350 175 L HA 0.264 4.604 4.340 -0.000 0.000 0.275 175 L C 0.600 177.271 176.870 -0.333 0.000 1.099 175 L CA -0.559 54.224 54.840 -0.095 0.000 0.808 175 L CB 1.010 43.028 42.059 -0.068 0.000 1.149 175 L HN 0.643 nan 8.230 nan 0.000 0.442 176 K N 1.393 121.765 120.400 -0.046 0.000 2.126 176 K HA 0.500 4.819 4.320 -0.000 0.000 0.257 176 K C -0.024 176.549 176.600 -0.045 0.000 1.007 176 K CA -0.610 55.643 56.287 -0.057 0.000 0.928 176 K CB 1.182 33.686 32.500 0.007 0.000 1.013 176 K HN 0.692 nan 8.250 nan 0.000 0.473 177 A N 2.033 124.844 122.820 -0.016 0.000 2.425 177 A HA 0.190 4.510 4.320 -0.000 0.000 0.242 177 A C -0.099 177.482 177.584 -0.005 0.000 1.077 177 A CA -0.365 51.668 52.037 -0.007 0.000 0.781 177 A CB -0.004 19.003 19.000 0.013 0.000 1.020 177 A HN 0.625 nan 8.150 nan 0.000 0.494 178 L N 1.860 123.078 121.223 -0.008 0.000 2.367 178 L HA 0.113 4.453 4.340 -0.000 0.000 0.275 178 L C 0.569 177.435 176.870 -0.007 0.000 1.129 178 L CA -0.517 54.318 54.840 -0.010 0.000 0.839 178 L CB 0.476 42.525 42.059 -0.017 0.000 1.133 178 L HN 0.737 nan 8.230 nan 0.000 0.453 179 D N 2.124 122.520 120.400 -0.007 0.000 2.506 179 D HA -0.047 4.592 4.640 -0.000 0.000 0.234 179 D C 1.137 177.432 176.300 -0.008 0.000 1.143 179 D CA -0.077 53.918 54.000 -0.008 0.000 0.871 179 D CB 1.469 42.262 40.800 -0.011 0.000 1.190 179 D HN 0.260 nan 8.370 nan 0.000 0.459 180 V N 3.482 123.391 119.914 -0.007 0.000 2.278 180 V HA -0.291 3.829 4.120 -0.000 0.000 0.251 180 V C 2.309 178.399 176.094 -0.006 0.000 1.062 180 V CA 2.305 64.601 62.300 -0.007 0.000 1.038 180 V CB -0.820 31.000 31.823 -0.005 0.000 0.646 180 V HN 0.619 nan 8.190 nan 0.000 0.447 181 E N 0.646 120.842 120.200 -0.006 0.000 2.023 181 E HA -0.241 4.109 4.350 -0.000 0.000 0.196 181 E C 2.259 178.865 176.600 0.009 0.000 1.003 181 E CA 1.858 58.256 56.400 -0.003 0.000 0.809 181 E CB -0.556 29.133 29.700 -0.018 0.000 0.755 181 E HN 0.680 nan 8.360 nan 0.000 0.449 182 Q N -0.067 119.732 119.800 -0.002 0.000 2.082 182 Q HA -0.230 4.110 4.340 -0.000 0.000 0.211 182 Q C 2.458 178.463 176.000 0.008 0.000 1.002 182 Q CA 2.102 57.908 55.803 0.005 0.000 0.868 182 Q CB -0.450 28.282 28.738 -0.009 0.000 0.931 182 Q HN 0.434 nan 8.270 nan 0.000 0.414 183 I N -0.014 120.550 120.570 -0.010 0.000 2.286 183 I HA -0.274 3.896 4.170 -0.000 0.000 0.248 183 I C 2.715 178.809 176.117 -0.038 0.000 1.115 183 I CA 1.052 62.336 61.300 -0.028 0.000 1.392 183 I CB -0.374 37.610 38.000 -0.027 0.000 1.065 183 I HN 0.224 nan 8.210 nan 0.000 0.418 184 R N 0.250 120.740 120.500 -0.016 0.000 2.055 184 R HA -0.200 4.140 4.340 -0.000 0.000 0.228 184 R C 2.583 178.870 176.300 -0.022 0.000 1.143 184 R CA 1.520 57.604 56.100 -0.027 0.000 0.945 184 R CB -0.609 29.686 30.300 -0.007 0.000 0.841 184 R HN 0.409 nan 8.270 nan 0.000 0.429 185 H N 0.322 119.350 119.070 -0.070 0.000 2.292 185 H HA -0.282 4.274 4.556 -0.000 0.000 0.292 185 H C 2.092 177.371 175.328 -0.082 0.000 1.100 185 H CA 2.599 58.609 56.048 -0.063 0.000 1.238 185 H CB 0.035 29.768 29.762 -0.048 0.000 1.355 185 H HN 0.274 nan 8.280 nan 0.000 0.484 186 Q N 0.815 120.543 119.800 -0.121 0.000 1.998 186 Q HA -0.170 4.170 4.340 -0.000 0.000 0.209 186 Q C 2.815 178.665 176.000 -0.251 0.000 1.002 186 Q CA 2.211 57.878 55.803 -0.226 0.000 0.858 186 Q CB -0.766 27.875 28.738 -0.162 0.000 0.932 186 Q HN 0.601 nan 8.270 nan 0.000 0.416 187 L N 0.189 121.289 121.223 -0.205 0.000 2.034 187 L HA -0.313 4.027 4.340 -0.000 0.000 0.217 187 L C 2.610 179.300 176.870 -0.301 0.000 1.077 187 L CA 2.109 56.810 54.840 -0.232 0.000 0.769 187 L CB -0.660 41.296 42.059 -0.171 0.000 0.890 187 L HN 0.533 nan 8.230 nan 0.000 0.435 188 E N -0.582 119.437 120.200 -0.302 0.000 2.007 188 E HA -0.351 3.999 4.350 -0.000 0.000 0.203 188 E C 2.205 178.612 176.600 -0.323 0.000 1.020 188 E CA 1.757 57.918 56.400 -0.399 0.000 0.845 188 E CB -0.336 29.208 29.700 -0.261 0.000 0.779 188 E HN 0.422 nan 8.360 nan 0.000 0.466 189 H N 0.979 119.814 119.070 -0.391 0.000 2.273 189 H HA -0.251 4.305 4.556 -0.000 0.000 0.284 189 H C 2.194 177.271 175.328 -0.419 0.000 1.113 189 H CA 2.634 58.458 56.048 -0.373 0.000 1.169 189 H CB -0.633 28.875 29.762 -0.423 0.000 1.349 189 H HN 0.353 nan 8.280 nan 0.000 0.484 190 I N 0.442 120.796 120.570 -0.360 0.000 2.208 190 I HA -0.306 3.864 4.170 -0.000 0.000 0.245 190 I C 2.905 178.775 176.117 -0.412 0.000 1.097 190 I CA 1.158 62.011 61.300 -0.745 0.000 1.363 190 I CB -0.355 37.028 38.000 -1.029 0.000 1.051 190 I HN 0.214 nan 8.210 nan 0.000 0.413 191 L N 0.290 121.338 121.223 -0.291 0.000 2.156 191 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 191 L C 2.310 179.140 176.870 -0.066 0.000 1.095 191 L CA 0.800 55.561 54.840 -0.131 0.000 0.770 191 L CB -0.662 41.321 42.059 -0.127 0.000 0.914 191 L HN 0.284 nan 8.230 nan 0.000 0.439 192 N N 0.216 118.837 118.700 -0.131 0.000 2.013 192 N HA -0.200 4.540 4.740 -0.000 0.000 0.195 192 N C 1.725 177.080 175.510 -0.259 0.000 1.051 192 N CA 1.346 54.312 53.050 -0.141 0.000 0.851 192 N CB -0.310 38.071 38.487 -0.176 0.000 1.044 192 N HN 0.269 nan 8.380 nan 0.000 0.422 193 E N 0.965 121.008 120.200 -0.260 0.000 2.130 193 E HA -0.166 4.184 4.350 -0.000 0.000 0.196 193 E C 1.232 177.810 176.600 -0.037 0.000 0.998 193 E CA 0.794 57.104 56.400 -0.150 0.000 0.806 193 E CB -0.096 29.666 29.700 0.105 0.000 0.738 193 E HN 0.428 nan 8.360 nan 0.000 0.459 194 E N 0.016 120.266 120.200 0.082 0.000 2.511 194 E HA -0.070 4.279 4.350 -0.000 0.000 0.196 194 E C -0.316 176.406 176.600 0.205 0.000 1.066 194 E CA 0.081 56.603 56.400 0.205 0.000 0.871 194 E CB -0.099 29.741 29.700 0.233 0.000 0.863 194 E HN 0.342 nan 8.360 nan 0.000 0.520 195 H N -0.382 118.738 119.070 0.082 0.000 2.748 195 H HA -0.167 4.388 4.556 -0.000 0.000 0.322 195 H C -0.126 175.238 175.328 0.060 0.000 1.208 195 H CA 0.690 56.773 56.048 0.058 0.000 1.151 195 H CB -2.075 27.715 29.762 0.048 0.000 1.505 195 H HN 0.186 nan 8.280 nan 0.000 0.429 196 I N -0.059 120.588 120.570 0.129 0.000 2.474 196 I HA 0.514 4.684 4.170 -0.000 0.000 0.294 196 I C 0.947 177.134 176.117 0.116 0.000 1.005 196 I CA -0.787 60.581 61.300 0.114 0.000 1.113 196 I CB 1.989 40.050 38.000 0.102 0.000 1.289 196 I HN 0.264 nan 8.210 nan 0.000 0.436 197 A N 4.990 127.850 122.820 0.067 0.000 2.388 197 A HA 0.512 4.832 4.320 -0.000 0.000 0.257 197 A C -0.557 177.058 177.584 0.051 0.000 1.095 197 A CA 0.124 52.161 52.037 0.001 0.000 0.791 197 A CB -0.173 18.816 19.000 -0.018 0.000 1.029 197 A HN 0.930 nan 8.150 nan 0.000 0.489 198 H N -0.807 118.257 119.070 -0.010 0.000 2.996 198 H HA 0.658 5.214 4.556 -0.000 0.000 0.368 198 H C -1.292 174.029 175.328 -0.012 0.000 1.185 198 H CA -0.867 55.173 56.048 -0.014 0.000 1.160 198 H CB 0.863 30.610 29.762 -0.024 0.000 1.820 198 H HN 0.537 nan 8.280 nan 0.000 0.547 199 E N 3.641 123.899 120.200 0.097 0.000 2.156 199 E HA 0.155 4.504 4.350 -0.000 0.000 0.279 199 E C -1.978 174.696 176.600 0.124 0.000 0.965 199 E CA -2.110 54.327 56.400 0.061 0.000 0.789 199 E CB 1.576 31.291 29.700 0.025 0.000 1.098 199 E HN 0.495 nan 8.360 nan 0.000 0.397 200 P HA -0.273 nan 4.420 nan 0.000 0.217 200 P C 1.360 178.693 177.300 0.056 0.000 1.162 200 P CA 1.431 64.595 63.100 0.106 0.000 0.901 200 P CB 0.206 31.950 31.700 0.073 0.000 0.793 201 R N 0.012 120.535 120.500 0.039 0.000 2.159 201 R HA -0.085 4.254 4.340 -0.000 0.000 0.237 201 R C 1.956 178.268 176.300 0.020 0.000 1.131 201 R CA 1.864 57.978 56.100 0.023 0.000 0.982 201 R CB -1.359 28.951 30.300 0.016 0.000 0.868 201 R HN 0.097 nan 8.270 nan 0.000 0.453 202 A N 0.580 123.416 122.820 0.028 0.000 1.898 202 A HA -0.034 4.286 4.320 -0.000 0.000 0.216 202 A C 2.209 179.799 177.584 0.010 0.000 1.181 202 A CA 1.258 53.307 52.037 0.021 0.000 0.620 202 A CB -0.489 18.530 19.000 0.033 0.000 0.819 202 A HN 0.352 nan 8.150 nan 0.000 0.442 203 L N -0.811 120.418 121.223 0.011 0.000 2.017 203 L HA -0.232 4.107 4.340 -0.000 0.000 0.208 203 L C 2.916 179.777 176.870 -0.016 0.000 1.073 203 L CA 1.386 56.212 54.840 -0.023 0.000 0.745 203 L CB -0.676 41.353 42.059 -0.050 0.000 0.894 203 L HN 0.408 nan 8.230 nan 0.000 0.432 204 Q N 0.040 119.840 119.800 -0.002 0.000 2.112 204 Q HA -0.214 4.126 4.340 -0.000 0.000 0.206 204 Q C 2.300 178.299 176.000 -0.003 0.000 0.987 204 Q CA 1.647 57.449 55.803 -0.001 0.000 0.858 204 Q CB -0.447 28.295 28.738 0.006 0.000 0.905 204 Q HN 0.547 nan 8.270 nan 0.000 0.420 205 L N -0.270 120.952 121.223 -0.002 0.000 2.056 205 L HA -0.161 4.178 4.340 -0.000 0.000 0.207 205 L C 2.461 179.328 176.870 -0.006 0.000 1.078 205 L CA 0.634 55.472 54.840 -0.003 0.000 0.749 205 L CB -0.535 41.523 42.059 -0.002 0.000 0.901 205 L HN 0.182 nan 8.230 nan 0.000 0.433 206 L N -0.021 121.196 121.223 -0.010 0.000 1.970 206 L HA -0.225 4.115 4.340 -0.000 0.000 0.212 206 L C 2.972 179.833 176.870 -0.015 0.000 1.071 206 L CA 1.397 56.229 54.840 -0.014 0.000 0.751 206 L CB -0.865 41.180 42.059 -0.022 0.000 0.889 206 L HN 0.235 nan 8.230 nan 0.000 0.432 207 A N -0.145 122.663 122.820 -0.020 0.000 1.940 207 A HA -0.263 4.057 4.320 -0.000 0.000 0.221 207 A C 2.377 179.955 177.584 -0.010 0.000 1.190 207 A CA 1.827 53.854 52.037 -0.018 0.000 0.647 207 A CB -0.542 18.448 19.000 -0.018 0.000 0.821 207 A HN 0.312 nan 8.150 nan 0.000 0.457 208 R N -0.656 119.840 120.500 -0.006 0.000 2.082 208 R HA -0.113 4.226 4.340 -0.000 0.000 0.234 208 R C 2.469 178.769 176.300 -0.001 0.000 1.136 208 R CA 1.610 57.709 56.100 -0.003 0.000 0.935 208 R CB -1.444 28.855 30.300 -0.001 0.000 0.842 208 R HN 0.550 nan 8.270 nan 0.000 0.430 209 A N 1.255 124.075 122.820 -0.001 0.000 2.070 209 A HA -0.043 4.277 4.320 -0.000 0.000 0.220 209 A C 2.343 179.929 177.584 0.003 0.000 1.159 209 A CA 1.629 53.667 52.037 0.002 0.000 0.656 209 A CB -0.479 18.522 19.000 0.001 0.000 0.800 209 A HN 0.387 nan 8.150 nan 0.000 0.453 210 A N -1.117 121.703 122.820 -0.001 0.000 1.972 210 A HA -0.043 4.277 4.320 -0.000 0.000 0.219 210 A C 1.037 178.624 177.584 0.005 0.000 1.169 210 A CA 1.451 53.488 52.037 0.000 0.000 0.635 210 A CB -0.409 18.587 19.000 -0.007 0.000 0.810 210 A HN 0.655 nan 8.150 nan 0.000 0.446 211 E N -3.094 117.109 120.200 0.005 0.000 2.320 211 E HA -0.207 4.142 4.350 -0.000 0.000 0.234 211 E C 0.778 177.384 176.600 0.009 0.000 1.183 211 E CA 0.516 56.921 56.400 0.008 0.000 0.713 211 E CB -1.615 28.093 29.700 0.013 0.000 1.226 211 E HN 1.556 nan 8.360 nan 0.000 0.382 212 G N -0.745 108.057 108.800 0.004 0.000 2.232 212 G HA2 -0.290 3.669 3.960 -0.000 0.000 0.226 212 G HA3 -0.290 3.669 3.960 -0.000 0.000 0.226 212 G C 0.102 175.001 174.900 -0.000 0.000 0.996 212 G CA 0.233 45.336 45.100 0.004 0.000 0.626 212 G HN 0.832 nan 8.290 nan 0.000 0.509 213 S N 0.199 115.899 115.700 0.000 0.000 2.474 213 S HA 0.669 5.139 4.470 -0.000 0.000 0.321 213 S C 1.478 176.073 174.600 -0.007 0.000 1.080 213 S CA -0.296 57.904 58.200 -0.001 0.000 1.106 213 S CB 1.164 64.369 63.200 0.008 0.000 0.984 213 S HN 0.400 nan 8.310 nan 0.000 0.464 214 L N 4.116 125.331 121.223 -0.014 0.000 2.083 214 L HA -0.055 4.285 4.340 -0.000 0.000 0.209 214 L C 2.713 179.575 176.870 -0.013 0.000 1.083 214 L CA 1.390 56.218 54.840 -0.021 0.000 0.752 214 L CB -0.230 41.812 42.059 -0.029 0.000 0.899 214 L HN 0.747 nan 8.230 nan 0.000 0.433 215 R N 0.143 120.642 120.500 -0.001 0.000 2.066 215 R HA -0.185 4.155 4.340 -0.000 0.000 0.232 215 R C 1.804 178.110 176.300 0.009 0.000 1.131 215 R CA 1.892 57.997 56.100 0.008 0.000 0.955 215 R CB -0.259 30.050 30.300 0.015 0.000 0.851 215 R HN 0.200 nan 8.270 nan 0.000 0.432 216 D N 0.310 120.715 120.400 0.009 0.000 2.133 216 D HA -0.210 4.430 4.640 -0.000 0.000 0.192 216 D C 1.723 178.025 176.300 0.004 0.000 1.001 216 D CA 1.964 55.970 54.000 0.010 0.000 0.844 216 D CB -0.353 40.454 40.800 0.011 0.000 0.944 216 D HN 0.454 nan 8.370 nan 0.000 0.447 217 A N 0.252 123.069 122.820 -0.006 0.000 1.851 217 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 217 A C 2.307 179.880 177.584 -0.018 0.000 1.195 217 A CA 1.177 53.204 52.037 -0.017 0.000 0.622 217 A CB -0.953 18.028 19.000 -0.032 0.000 0.831 217 A HN 0.257 nan 8.150 nan 0.000 0.444 218 L N -0.390 120.823 121.223 -0.017 0.000 2.265 218 L HA -0.146 4.194 4.340 -0.000 0.000 0.215 218 L C 2.710 179.589 176.870 0.016 0.000 1.117 218 L CA 1.210 56.045 54.840 -0.010 0.000 0.782 218 L CB -0.259 41.802 42.059 0.003 0.000 0.914 218 L HN 0.335 nan 8.230 nan 0.000 0.441 219 S N -0.378 115.333 115.700 0.018 0.000 2.395 219 S HA 0.021 4.490 4.470 -0.000 0.000 0.225 219 S C 1.896 176.512 174.600 0.026 0.000 1.027 219 S CA 0.726 58.943 58.200 0.029 0.000 0.965 219 S CB -0.010 63.206 63.200 0.027 0.000 0.812 219 S HN 0.287 nan 8.310 nan 0.000 0.482 220 L N 0.814 122.046 121.223 0.015 0.000 2.156 220 L HA -0.059 4.281 4.340 -0.000 0.000 0.208 220 L C 2.562 179.438 176.870 0.011 0.000 1.095 220 L CA 0.948 55.795 54.840 0.012 0.000 0.770 220 L CB -0.947 41.114 42.059 0.005 0.000 0.914 220 L HN 0.261 nan 8.230 nan 0.000 0.439 221 T N -0.923 113.634 114.554 0.005 0.000 2.643 221 T HA -0.228 4.122 4.350 -0.000 0.000 0.264 221 T C 1.616 176.331 174.700 0.025 0.000 1.045 221 T CA 1.666 63.767 62.100 0.002 0.000 1.155 221 T CB -0.250 68.606 68.868 -0.019 0.000 0.863 221 T HN 0.281 nan 8.240 nan 0.000 0.420 222 D N 0.648 121.073 120.400 0.043 0.000 2.158 222 D HA -0.131 4.509 4.640 -0.000 0.000 0.197 222 D C 2.221 178.555 176.300 0.056 0.000 0.995 222 D CA 1.174 55.217 54.000 0.072 0.000 0.846 222 D CB -0.249 40.611 40.800 0.100 0.000 0.941 222 D HN 0.508 nan 8.370 nan 0.000 0.456 223 Q N -0.067 119.757 119.800 0.041 0.000 2.084 223 Q HA -0.166 4.174 4.340 -0.000 0.000 0.202 223 Q C 2.061 178.076 176.000 0.025 0.000 0.978 223 Q CA 1.715 57.537 55.803 0.031 0.000 0.844 223 Q CB -0.139 28.613 28.738 0.024 0.000 0.898 223 Q HN 0.221 nan 8.270 nan 0.000 0.426 224 A N 1.538 124.371 122.820 0.021 0.000 1.859 224 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 224 A C 2.032 179.629 177.584 0.022 0.000 1.209 224 A CA 2.074 54.122 52.037 0.018 0.000 0.639 224 A CB -1.194 17.815 19.000 0.015 0.000 0.835 224 A HN 0.559 nan 8.150 nan 0.000 0.450 225 I N -0.223 120.365 120.570 0.030 0.000 2.143 225 I HA -0.376 3.794 4.170 -0.000 0.000 0.245 225 I C 2.905 179.035 176.117 0.022 0.000 1.068 225 I CA 1.501 62.821 61.300 0.033 0.000 1.326 225 I CB -0.886 37.144 38.000 0.049 0.000 1.028 225 I HN 0.412 nan 8.210 nan 0.000 0.412 226 A N 1.522 124.355 122.820 0.021 0.000 1.834 226 A HA -0.235 4.085 4.320 -0.000 0.000 0.216 226 A C 2.433 180.021 177.584 0.007 0.000 1.203 226 A CA 2.550 54.593 52.037 0.011 0.000 0.621 226 A CB -1.135 17.873 19.000 0.013 0.000 0.841 226 A HN 0.552 nan 8.150 nan 0.000 0.446 227 S N -0.787 114.918 115.700 0.009 0.000 2.595 227 S HA 0.193 4.663 4.470 -0.000 0.000 0.235 227 S C 1.357 175.960 174.600 0.004 0.000 0.974 227 S CA 0.943 59.147 58.200 0.005 0.000 0.942 227 S CB -0.397 62.805 63.200 0.004 0.000 0.766 227 S HN 0.783 nan 8.310 nan 0.000 0.536 228 G N 0.189 108.993 108.800 0.008 0.000 3.044 228 G HA2 0.220 4.180 3.960 -0.000 0.000 0.223 228 G HA3 0.220 4.180 3.960 -0.000 0.000 0.223 228 G C 0.106 175.010 174.900 0.007 0.000 1.123 228 G CA 0.179 45.284 45.100 0.008 0.000 0.765 228 G HN 0.436 nan 8.290 nan 0.000 0.546 229 D N -1.161 119.242 120.400 0.005 0.000 2.873 229 D HA -0.124 4.516 4.640 -0.000 0.000 0.228 229 D C 1.489 177.792 176.300 0.005 0.000 1.122 229 D CA 1.763 55.764 54.000 0.002 0.000 0.758 229 D CB -1.337 39.463 40.800 -0.000 0.000 1.094 229 D HN 1.060 nan 8.370 nan 0.000 0.434 230 G N -1.024 107.782 108.800 0.010 0.000 2.376 230 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.208 230 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.208 230 G C 0.200 175.116 174.900 0.027 0.000 1.032 230 G CA 0.247 45.357 45.100 0.017 0.000 0.641 230 G HN 0.476 nan 8.290 nan 0.000 0.503 231 Q N 0.164 119.977 119.800 0.022 0.000 2.235 231 Q HA 0.606 4.946 4.340 -0.000 0.000 0.256 231 Q C -0.550 175.469 176.000 0.032 0.000 0.951 231 Q CA -0.609 55.211 55.803 0.027 0.000 0.890 231 Q CB 2.789 31.537 28.738 0.017 0.000 1.279 231 Q HN 0.139 nan 8.270 nan 0.000 0.444 232 V N 2.971 122.913 119.914 0.046 0.000 2.270 232 V HA 0.146 4.266 4.120 -0.000 0.000 0.263 232 V C -0.179 175.943 176.094 0.046 0.000 1.066 232 V CA -0.212 62.116 62.300 0.046 0.000 0.857 232 V CB 0.361 32.219 31.823 0.057 0.000 1.099 232 V HN 0.768 nan 8.190 nan 0.000 0.476 233 S N 2.167 117.884 115.700 0.027 0.000 2.549 233 S HA 0.331 4.801 4.470 -0.000 0.000 0.297 233 S C 1.159 175.769 174.600 0.016 0.000 1.115 233 S CA -0.389 57.824 58.200 0.020 0.000 1.059 233 S CB 1.646 64.852 63.200 0.010 0.000 1.046 233 S HN 0.502 nan 8.310 nan 0.000 0.506 234 T N 2.118 116.681 114.554 0.015 0.000 2.721 234 T HA -0.185 4.164 4.350 -0.000 0.000 0.268 234 T C 1.866 176.568 174.700 0.004 0.000 1.038 234 T CA 1.885 63.991 62.100 0.010 0.000 1.145 234 T CB -0.407 68.466 68.868 0.009 0.000 0.858 234 T HN 0.658 nan 8.240 nan 0.000 0.459 235 Q N 0.452 120.253 119.800 0.002 0.000 2.002 235 Q HA -0.101 4.239 4.340 -0.000 0.000 0.204 235 Q C 2.836 178.834 176.000 -0.003 0.000 0.988 235 Q CA 1.693 57.495 55.803 -0.003 0.000 0.843 235 Q CB -0.418 28.318 28.738 -0.003 0.000 0.908 235 Q HN 0.594 nan 8.270 nan 0.000 0.420 236 A N 0.444 123.265 122.820 0.000 0.000 1.873 236 A HA -0.121 4.198 4.320 -0.000 0.000 0.215 236 A C 2.388 179.971 177.584 -0.001 0.000 1.186 236 A CA 1.413 53.450 52.037 -0.000 0.000 0.616 236 A CB -0.793 18.209 19.000 0.004 0.000 0.823 236 A HN 0.209 nan 8.150 nan 0.000 0.442 237 V N 1.086 121.001 119.914 0.002 0.000 2.343 237 V HA -0.252 3.868 4.120 -0.000 0.000 0.247 237 V C 3.041 179.132 176.094 -0.005 0.000 1.051 237 V CA 2.463 64.764 62.300 0.001 0.000 1.036 237 V CB -0.835 30.990 31.823 0.004 0.000 0.654 237 V HN 0.827 nan 8.190 nan 0.000 0.451 238 S N 0.935 116.631 115.700 -0.007 0.000 2.368 238 S HA -0.094 4.376 4.470 -0.000 0.000 0.224 238 S C 2.115 176.703 174.600 -0.020 0.000 1.029 238 S CA 1.183 59.375 58.200 -0.012 0.000 0.988 238 S CB -0.537 62.656 63.200 -0.011 0.000 0.838 238 S HN 0.552 nan 8.310 nan 0.000 0.462 239 A N 1.902 124.711 122.820 -0.019 0.000 1.972 239 A HA 0.101 4.421 4.320 -0.000 0.000 0.219 239 A C 2.280 179.849 177.584 -0.025 0.000 1.169 239 A CA 1.544 53.566 52.037 -0.025 0.000 0.635 239 A CB -0.719 18.269 19.000 -0.020 0.000 0.810 239 A HN 0.654 nan 8.150 nan 0.000 0.446 240 M N -0.669 118.921 119.600 -0.017 0.000 2.123 240 M HA 0.015 4.495 4.480 -0.000 0.000 0.263 240 M C 1.338 177.628 176.300 -0.017 0.000 1.069 240 M CA 1.600 56.891 55.300 -0.014 0.000 1.133 240 M CB -0.156 32.440 32.600 -0.005 0.000 1.356 240 M HN 0.321 nan 8.290 nan 0.000 0.415 241 L N 0.375 121.588 121.223 -0.017 0.000 2.610 241 L HA 0.154 4.494 4.340 -0.000 0.000 0.232 241 L C 1.202 178.054 176.870 -0.030 0.000 1.149 241 L CA 0.425 55.255 54.840 -0.017 0.000 0.872 241 L CB -0.693 41.359 42.059 -0.012 0.000 0.992 241 L HN 0.736 nan 8.230 nan 0.000 0.447 242 G N 0.036 108.810 108.800 -0.043 0.000 2.179 242 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.257 242 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.257 242 G C 0.415 175.275 174.900 -0.067 0.000 1.010 242 G CA 0.417 45.476 45.100 -0.069 0.000 0.736 242 G HN 0.300 nan 8.290 nan 0.000 0.513 243 T N 0.768 115.294 114.554 -0.045 0.000 2.946 243 T HA 0.317 4.667 4.350 -0.000 0.000 0.312 243 T C 1.144 175.817 174.700 -0.044 0.000 1.066 243 T CA 0.251 62.329 62.100 -0.036 0.000 1.138 243 T CB 0.758 69.612 68.868 -0.024 0.000 1.014 243 T HN 0.357 nan 8.240 nan 0.000 0.544 244 L N 3.434 124.635 121.223 -0.037 0.000 2.399 244 L HA 0.332 4.672 4.340 -0.000 0.000 0.266 244 L C 0.625 177.479 176.870 -0.027 0.000 1.114 244 L CA -0.990 53.827 54.840 -0.038 0.000 0.804 244 L CB 0.592 42.633 42.059 -0.030 0.000 1.146 244 L HN 0.706 nan 8.230 nan 0.000 0.451 245 D N -0.052 120.332 120.400 -0.027 0.000 2.280 245 D HA 0.011 4.651 4.640 -0.000 0.000 0.243 245 D C 0.354 176.646 176.300 -0.014 0.000 1.129 245 D CA -0.508 53.481 54.000 -0.019 0.000 0.848 245 D CB 1.451 42.239 40.800 -0.020 0.000 1.107 245 D HN 0.407 nan 8.370 nan 0.000 0.471 246 D N 1.775 122.171 120.400 -0.008 0.000 2.170 246 D HA -0.262 4.378 4.640 -0.000 0.000 0.193 246 D C 1.194 177.492 176.300 -0.004 0.000 1.004 246 D CA 1.150 55.148 54.000 -0.003 0.000 0.860 246 D CB 0.050 40.850 40.800 0.000 0.000 0.931 246 D HN 0.556 nan 8.370 nan 0.000 0.448 247 D N 0.330 120.727 120.400 -0.005 0.000 2.160 247 D HA -0.236 4.404 4.640 -0.000 0.000 0.189 247 D C 1.991 178.288 176.300 -0.005 0.000 1.003 247 D CA 1.572 55.569 54.000 -0.005 0.000 0.846 247 D CB -0.438 40.358 40.800 -0.006 0.000 0.949 247 D HN 0.331 nan 8.370 nan 0.000 0.446 248 Q N -0.556 119.240 119.800 -0.007 0.000 2.112 248 Q HA -0.204 4.136 4.340 -0.000 0.000 0.206 248 Q C 2.085 178.087 176.000 0.003 0.000 0.987 248 Q CA 2.032 57.831 55.803 -0.005 0.000 0.858 248 Q CB -0.240 28.489 28.738 -0.015 0.000 0.905 248 Q HN 0.378 nan 8.270 nan 0.000 0.420 249 A N 0.399 123.221 122.820 0.003 0.000 1.845 249 A HA -0.199 4.121 4.320 -0.000 0.000 0.215 249 A C 1.954 179.541 177.584 0.005 0.000 1.195 249 A CA 1.418 53.462 52.037 0.010 0.000 0.616 249 A CB -1.014 17.993 19.000 0.012 0.000 0.832 249 A HN 0.463 nan 8.150 nan 0.000 0.443 250 L N 0.500 121.723 121.223 0.001 0.000 2.021 250 L HA -0.188 4.152 4.340 -0.000 0.000 0.215 250 L C 2.497 179.359 176.870 -0.014 0.000 1.074 250 L CA 2.726 57.563 54.840 -0.006 0.000 0.760 250 L CB -1.032 41.025 42.059 -0.004 0.000 0.889 250 L HN 0.345 nan 8.230 nan 0.000 0.433 251 S N -0.520 115.174 115.700 -0.009 0.000 2.374 251 S HA -0.240 4.230 4.470 -0.000 0.000 0.227 251 S C 1.938 176.529 174.600 -0.015 0.000 1.037 251 S CA 1.801 59.995 58.200 -0.011 0.000 1.024 251 S CB -0.545 62.652 63.200 -0.004 0.000 0.861 251 S HN 0.487 nan 8.310 nan 0.000 0.456 252 L N 1.034 122.253 121.223 -0.007 0.000 1.961 252 L HA -0.120 4.220 4.340 -0.000 0.000 0.210 252 L C 2.311 179.157 176.870 -0.040 0.000 1.072 252 L CA 1.176 56.011 54.840 -0.008 0.000 0.749 252 L CB -0.595 41.474 42.059 0.018 0.000 0.889 252 L HN 0.151 nan 8.230 nan 0.000 0.432 253 V N -0.007 119.880 119.914 -0.046 0.000 2.277 253 V HA -0.424 3.696 4.120 -0.000 0.000 0.255 253 V C 2.365 178.387 176.094 -0.121 0.000 1.074 253 V CA 2.356 64.603 62.300 -0.088 0.000 1.058 253 V CB -0.713 31.075 31.823 -0.059 0.000 0.656 253 V HN 0.510 nan 8.190 nan 0.000 0.449 254 E N 0.051 120.204 120.200 -0.078 0.000 2.017 254 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 254 E C 2.303 178.850 176.600 -0.087 0.000 0.997 254 E CA 1.253 57.606 56.400 -0.077 0.000 0.804 254 E CB -0.428 29.244 29.700 -0.046 0.000 0.757 254 E HN 0.590 nan 8.360 nan 0.000 0.448 255 A N 1.241 124.023 122.820 -0.064 0.000 2.131 255 A HA -0.199 4.121 4.320 -0.000 0.000 0.220 255 A C 2.023 179.563 177.584 -0.073 0.000 1.158 255 A CA 1.357 53.360 52.037 -0.056 0.000 0.665 255 A CB -0.560 18.422 19.000 -0.030 0.000 0.795 255 A HN 0.316 nan 8.150 nan 0.000 0.460 256 M N 0.081 119.615 119.600 -0.110 0.000 2.248 256 M HA -0.055 4.425 4.480 -0.000 0.000 0.265 256 M C 1.910 178.089 176.300 -0.201 0.000 1.079 256 M CA 2.058 57.274 55.300 -0.139 0.000 1.150 256 M CB -0.097 32.388 32.600 -0.191 0.000 1.366 256 M HN 0.343 nan 8.290 nan 0.000 0.433 257 V N -2.169 117.573 119.914 -0.287 0.000 2.951 257 V HA -0.018 4.101 4.120 -0.000 0.000 0.255 257 V C 1.459 177.461 176.094 -0.154 0.000 1.088 257 V CA 1.393 63.555 62.300 -0.230 0.000 1.109 257 V CB -1.105 30.585 31.823 -0.220 0.000 0.724 257 V HN 0.487 nan 8.190 nan 0.000 0.471 258 E N 0.912 121.008 120.200 -0.173 0.000 2.478 258 E HA 0.246 4.596 4.350 -0.000 0.000 0.198 258 E C 1.555 177.999 176.600 -0.261 0.000 1.046 258 E CA 0.678 56.944 56.400 -0.222 0.000 0.870 258 E CB -0.090 29.535 29.700 -0.125 0.000 0.818 258 E HN 0.849 nan 8.360 nan 0.000 0.527 259 A N 1.549 124.275 122.820 -0.156 0.000 3.172 259 A HA -0.211 4.109 4.320 -0.000 0.000 0.263 259 A C 0.611 178.180 177.584 -0.024 0.000 1.215 259 A CA 0.740 52.749 52.037 -0.047 0.000 1.065 259 A CB -2.219 16.745 19.000 -0.060 0.000 1.148 259 A HN 0.330 nan 8.150 nan 0.000 0.904 260 N N 1.013 119.686 118.700 -0.045 0.000 2.498 260 N HA 0.326 5.065 4.740 -0.000 0.000 0.277 260 N C 1.413 176.919 175.510 -0.005 0.000 1.208 260 N CA 1.138 54.173 53.050 -0.024 0.000 1.029 260 N CB -0.258 38.210 38.487 -0.032 0.000 1.403 260 N HN 0.560 nan 8.380 nan 0.000 0.500 261 G N 2.583 111.388 108.800 0.007 0.000 2.679 261 G HA2 -0.343 3.616 3.960 -0.000 0.000 0.217 261 G HA3 -0.343 3.616 3.960 -0.000 0.000 0.217 261 G C 0.988 175.893 174.900 0.009 0.000 1.267 261 G CA 0.946 46.053 45.100 0.013 0.000 0.799 261 G HN 0.714 nan 8.290 nan 0.000 0.606 262 E N 0.126 120.331 120.200 0.008 0.000 2.197 262 E HA -0.326 4.024 4.350 -0.000 0.000 0.205 262 E C 2.454 179.059 176.600 0.008 0.000 1.029 262 E CA 1.763 58.168 56.400 0.008 0.000 0.828 262 E CB -0.139 29.565 29.700 0.006 0.000 0.737 262 E HN 0.483 nan 8.360 nan 0.000 0.464 263 R N -0.340 120.163 120.500 0.005 0.000 2.127 263 R HA -0.008 4.332 4.340 -0.000 0.000 0.217 263 R C 2.295 178.601 176.300 0.009 0.000 1.074 263 R CA 0.811 56.914 56.100 0.005 0.000 0.991 263 R CB 0.026 30.324 30.300 -0.003 0.000 0.895 263 R HN 0.059 nan 8.270 nan 0.000 0.450 264 V N 0.921 120.840 119.914 0.007 0.000 2.261 264 V HA -0.280 3.840 4.120 -0.000 0.000 0.246 264 V C 2.346 178.455 176.094 0.025 0.000 1.047 264 V CA 1.657 63.965 62.300 0.014 0.000 1.015 264 V CB -0.339 31.490 31.823 0.010 0.000 0.642 264 V HN 0.348 nan 8.190 nan 0.000 0.446 265 M N -0.094 119.518 119.600 0.020 0.000 2.080 265 M HA -0.162 4.317 4.480 -0.000 0.000 0.260 265 M C 2.364 178.684 176.300 0.034 0.000 1.068 265 M CA 2.413 57.726 55.300 0.021 0.000 1.109 265 M CB -1.578 31.029 32.600 0.012 0.000 1.342 265 M HN 0.409 nan 8.290 nan 0.000 0.405 266 A N -0.503 122.335 122.820 0.030 0.000 2.015 266 A HA -0.100 4.220 4.320 -0.000 0.000 0.219 266 A C 2.185 179.796 177.584 0.045 0.000 1.163 266 A CA 0.985 53.042 52.037 0.034 0.000 0.646 266 A CB -0.692 18.322 19.000 0.023 0.000 0.806 266 A HN 0.380 nan 8.150 nan 0.000 0.448 267 L N -0.069 121.181 121.223 0.045 0.000 2.056 267 L HA -0.062 4.278 4.340 -0.000 0.000 0.207 267 L C 2.245 179.169 176.870 0.090 0.000 1.078 267 L CA 1.490 56.360 54.840 0.051 0.000 0.749 267 L CB -0.498 41.586 42.059 0.041 0.000 0.901 267 L HN 0.433 nan 8.230 nan 0.000 0.433 268 I N -0.600 120.043 120.570 0.123 0.000 2.179 268 I HA -0.331 3.839 4.170 -0.000 0.000 0.242 268 I C 2.401 178.670 176.117 0.254 0.000 1.088 268 I CA 1.440 62.881 61.300 0.235 0.000 1.357 268 I CB -0.474 37.630 38.000 0.172 0.000 1.051 268 I HN 0.445 nan 8.210 nan 0.000 0.409 269 N N 1.144 119.934 118.700 0.151 0.000 2.094 269 N HA -0.255 4.485 4.740 -0.000 0.000 0.191 269 N C 1.711 177.286 175.510 0.108 0.000 1.023 269 N CA 1.819 54.946 53.050 0.129 0.000 0.857 269 N CB -0.027 38.505 38.487 0.075 0.000 1.013 269 N HN 0.448 nan 8.380 nan 0.000 0.426 270 E N 0.047 120.293 120.200 0.077 0.000 2.150 270 E HA -0.100 4.250 4.350 -0.000 0.000 0.193 270 E C 1.990 178.601 176.600 0.019 0.000 0.985 270 E CA 0.892 57.316 56.400 0.041 0.000 0.814 270 E CB -0.088 29.628 29.700 0.027 0.000 0.752 270 E HN 0.460 nan 8.360 nan 0.000 0.466 271 A N 1.637 124.477 122.820 0.033 0.000 1.855 271 A HA -0.107 4.212 4.320 -0.000 0.000 0.215 271 A C 2.451 179.931 177.584 -0.173 0.000 1.191 271 A CA 1.619 53.611 52.037 -0.075 0.000 0.613 271 A CB -0.790 18.172 19.000 -0.063 0.000 0.829 271 A HN 0.291 nan 8.150 nan 0.000 0.442 272 A N -0.082 122.734 122.820 -0.006 0.000 1.958 272 A HA 0.008 4.328 4.320 -0.000 0.000 0.221 272 A C 2.483 180.068 177.584 0.001 0.000 1.178 272 A CA 2.542 54.622 52.037 0.072 0.000 0.642 272 A CB -1.056 18.201 19.000 0.429 0.000 0.816 272 A HN 1.145 nan 8.150 nan 0.000 0.453 273 A N -0.146 122.681 122.820 0.012 0.000 1.877 273 A HA -0.156 4.163 4.320 -0.000 0.000 0.216 273 A C 2.156 179.717 177.584 -0.039 0.000 1.186 273 A CA 1.427 53.463 52.037 -0.001 0.000 0.620 273 A CB -0.457 18.548 19.000 0.008 0.000 0.822 273 A HN 0.576 nan 8.150 nan 0.000 0.443 274 R N -0.829 119.630 120.500 -0.069 0.000 2.328 274 R HA 0.135 4.474 4.340 -0.000 0.000 0.207 274 R C 0.963 177.191 176.300 -0.120 0.000 1.056 274 R CA 0.430 56.479 56.100 -0.084 0.000 1.016 274 R CB -0.449 29.799 30.300 -0.086 0.000 0.872 274 R HN 0.719 nan 8.270 nan 0.000 0.471 275 G N 2.114 110.816 108.800 -0.163 0.000 2.385 275 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.294 275 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.294 275 G C -0.103 174.640 174.900 -0.261 0.000 1.070 275 G CA -0.216 44.769 45.100 -0.190 0.000 1.172 275 G HN 0.241 nan 8.290 nan 0.000 0.516 276 I N -0.222 120.088 120.570 -0.435 0.000 2.499 276 I HA 0.270 4.440 4.170 -0.000 0.000 0.296 276 I C 0.995 176.814 176.117 -0.496 0.000 0.992 276 I CA -0.677 60.372 61.300 -0.419 0.000 1.297 276 I CB 1.384 39.095 38.000 -0.482 0.000 1.410 276 I HN 0.417 nan 8.210 nan 0.000 0.507 277 E N 4.602 124.635 120.200 -0.277 0.000 2.220 277 E HA -0.048 4.301 4.350 -0.000 0.000 0.272 277 E C 0.044 176.560 176.600 -0.140 0.000 1.099 277 E CA 0.014 56.303 56.400 -0.186 0.000 0.907 277 E CB 0.442 30.103 29.700 -0.065 0.000 1.022 277 E HN 0.453 nan 8.360 nan 0.000 0.428 278 W N 3.638 124.941 121.300 0.006 0.000 2.318 278 W HA -0.223 4.437 4.660 0.000 0.000 0.313 278 W C 2.109 178.631 176.519 0.005 0.000 1.221 278 W CA 1.152 58.501 57.345 0.006 0.000 1.266 278 W CB -0.037 29.428 29.460 0.009 0.000 1.150 278 W HN 0.688 nan 8.180 nan 0.000 0.496 279 E N 0.448 120.785 120.200 0.228 0.000 2.160 279 E HA -0.247 4.103 4.350 -0.000 0.000 0.195 279 E C 2.208 178.860 176.600 0.086 0.000 0.991 279 E CA 1.358 57.838 56.400 0.134 0.000 0.810 279 E CB -0.237 29.521 29.700 0.097 0.000 0.742 279 E HN 0.222 nan 8.360 nan 0.000 0.466 280 A N 0.868 123.724 122.820 0.060 0.000 1.851 280 A HA -0.210 4.110 4.320 -0.000 0.000 0.216 280 A C 2.113 179.718 177.584 0.034 0.000 1.195 280 A CA 1.420 53.472 52.037 0.025 0.000 0.622 280 A CB -0.898 18.094 19.000 -0.013 0.000 0.831 280 A HN 0.352 nan 8.150 nan 0.000 0.444 281 L N -0.221 121.033 121.223 0.050 0.000 1.991 281 L HA -0.253 4.087 4.340 -0.000 0.000 0.221 281 L C 2.575 179.487 176.870 0.070 0.000 1.079 281 L CA 2.084 56.967 54.840 0.071 0.000 0.778 281 L CB -0.453 41.699 42.059 0.154 0.000 0.893 281 L HN 0.474 nan 8.230 nan 0.000 0.437 282 L N -2.019 119.255 121.223 0.086 0.000 2.012 282 L HA -0.253 4.087 4.340 -0.000 0.000 0.210 282 L C 2.380 179.258 176.870 0.013 0.000 1.073 282 L CA 1.240 56.107 54.840 0.046 0.000 0.748 282 L CB -0.715 41.370 42.059 0.043 0.000 0.891 282 L HN 0.154 nan 8.230 nan 0.000 0.431 283 V N -0.091 119.835 119.914 0.020 0.000 2.295 283 V HA -0.280 3.840 4.120 -0.000 0.000 0.246 283 V C 2.500 178.606 176.094 0.020 0.000 1.049 283 V CA 2.046 64.352 62.300 0.009 0.000 1.024 283 V CB -0.504 31.328 31.823 0.014 0.000 0.648 283 V HN 0.449 nan 8.190 nan 0.000 0.447 284 E N 0.203 120.418 120.200 0.025 0.000 2.110 284 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 284 E C 2.117 178.739 176.600 0.037 0.000 0.988 284 E CA 1.732 58.150 56.400 0.029 0.000 0.804 284 E CB -0.311 29.402 29.700 0.021 0.000 0.745 284 E HN 0.564 nan 8.360 nan 0.000 0.458 285 M N -0.296 119.322 119.600 0.031 0.000 2.099 285 M HA -0.114 4.365 4.480 -0.000 0.000 0.262 285 M C 2.312 178.643 176.300 0.051 0.000 1.067 285 M CA 1.270 56.588 55.300 0.030 0.000 1.124 285 M CB -0.365 32.244 32.600 0.016 0.000 1.353 285 M HN 0.152 nan 8.290 nan 0.000 0.410 286 L N -0.035 121.204 121.223 0.026 0.000 2.129 286 L HA -0.195 4.145 4.340 -0.000 0.000 0.212 286 L C 2.630 179.606 176.870 0.177 0.000 1.087 286 L CA 1.365 56.232 54.840 0.046 0.000 0.757 286 L CB -1.150 40.858 42.059 -0.085 0.000 0.896 286 L HN 0.453 nan 8.230 nan 0.000 0.434 287 G N -0.359 108.512 108.800 0.118 0.000 2.402 287 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.216 287 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.216 287 G C 1.609 176.615 174.900 0.176 0.000 1.162 287 G CA 0.398 45.582 45.100 0.139 0.000 0.777 287 G HN 0.216 nan 8.290 nan 0.000 0.539 288 L N 0.079 121.372 121.223 0.117 0.000 2.027 288 L HA 0.036 4.376 4.340 -0.000 0.000 0.206 288 L C 2.850 179.776 176.870 0.094 0.000 1.074 288 L CA 0.533 55.425 54.840 0.086 0.000 0.745 288 L CB -0.382 41.705 42.059 0.047 0.000 0.898 288 L HN 0.147 nan 8.230 nan 0.000 0.433 289 L N -0.633 120.666 121.223 0.127 0.000 2.261 289 L HA -0.286 4.054 4.340 -0.000 0.000 0.216 289 L C 2.643 179.612 176.870 0.164 0.000 1.114 289 L CA 1.184 56.115 54.840 0.152 0.000 0.777 289 L CB -0.868 41.331 42.059 0.235 0.000 0.910 289 L HN 0.521 nan 8.230 nan 0.000 0.440 290 H N 0.106 119.239 119.070 0.105 0.000 2.317 290 H HA -0.079 4.477 4.556 -0.000 0.000 0.304 290 H C 2.306 177.640 175.328 0.010 0.000 1.067 290 H CA 0.731 56.804 56.048 0.041 0.000 1.352 290 H CB 0.237 30.039 29.762 0.066 0.000 1.398 290 H HN 0.092 nan 8.280 nan 0.000 0.510 291 R N 1.031 121.410 120.500 -0.201 0.000 2.097 291 R HA -0.141 4.199 4.340 -0.000 0.000 0.236 291 R C 2.754 178.951 176.300 -0.171 0.000 1.135 291 R CA 1.328 57.292 56.100 -0.227 0.000 0.934 291 R CB -1.075 29.197 30.300 -0.046 0.000 0.846 291 R HN 0.471 nan 8.270 nan 0.000 0.431 292 I N 0.479 121.003 120.570 -0.077 0.000 2.113 292 I HA -0.350 3.820 4.170 -0.000 0.000 0.242 292 I C 2.357 178.432 176.117 -0.069 0.000 1.057 292 I CA 1.872 63.143 61.300 -0.048 0.000 1.314 292 I CB -0.532 37.463 38.000 -0.008 0.000 1.022 292 I HN 0.175 nan 8.210 nan 0.000 0.408 293 A N -0.117 122.650 122.820 -0.089 0.000 2.015 293 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 293 A C 2.312 179.816 177.584 -0.135 0.000 1.163 293 A CA 1.199 53.178 52.037 -0.096 0.000 0.646 293 A CB -0.332 18.610 19.000 -0.097 0.000 0.806 293 A HN 0.322 nan 8.150 nan 0.000 0.448 294 M N -0.798 118.672 119.600 -0.217 0.000 2.236 294 M HA -0.045 4.434 4.480 -0.000 0.000 0.266 294 M C 2.123 178.349 176.300 -0.123 0.000 1.070 294 M CA 1.130 56.303 55.300 -0.213 0.000 1.137 294 M CB -0.807 31.579 32.600 -0.356 0.000 1.378 294 M HN 0.252 nan 8.290 nan 0.000 0.426 295 V N 0.443 120.295 119.914 -0.104 0.000 2.515 295 V HA -0.250 3.870 4.120 -0.000 0.000 0.250 295 V C 2.264 178.329 176.094 -0.048 0.000 1.058 295 V CA 1.385 63.647 62.300 -0.064 0.000 1.064 295 V CB -0.707 31.087 31.823 -0.049 0.000 0.675 295 V HN 0.524 nan 8.190 nan 0.000 0.461 296 Q N -0.758 119.012 119.800 -0.050 0.000 2.135 296 Q HA -0.239 4.101 4.340 -0.000 0.000 0.204 296 Q C 2.227 178.206 176.000 -0.035 0.000 0.981 296 Q CA 1.681 57.462 55.803 -0.036 0.000 0.856 296 Q CB -0.290 28.427 28.738 -0.034 0.000 0.902 296 Q HN 0.514 nan 8.270 nan 0.000 0.425 297 L N 0.594 121.790 121.223 -0.046 0.000 1.961 297 L HA -0.080 4.259 4.340 -0.000 0.000 0.210 297 L C 0.808 177.660 176.870 -0.031 0.000 1.072 297 L CA 1.732 56.549 54.840 -0.039 0.000 0.749 297 L CB -0.265 41.767 42.059 -0.046 0.000 0.889 297 L HN 0.116 nan 8.230 nan 0.000 0.432 298 S N -2.276 113.405 115.700 -0.033 0.000 2.502 298 S HA 0.503 4.972 4.470 -0.000 0.000 0.304 298 S C -1.970 172.614 174.600 -0.026 0.000 1.097 298 S CA -1.281 56.903 58.200 -0.025 0.000 1.045 298 S CB 1.472 64.659 63.200 -0.021 0.000 1.019 298 S HN 0.022 nan 8.310 nan 0.000 0.481 299 P HA -0.142 nan 4.420 nan 0.000 0.217 299 P C 1.617 178.906 177.300 -0.018 0.000 1.151 299 P CA 2.071 65.159 63.100 -0.019 0.000 0.849 299 P CB -0.125 31.567 31.700 -0.014 0.000 0.787 300 A N 0.189 122.999 122.820 -0.016 0.000 2.024 300 A HA -0.134 4.186 4.320 -0.000 0.000 0.220 300 A C 2.265 179.840 177.584 -0.015 0.000 1.164 300 A CA 1.880 53.909 52.037 -0.013 0.000 0.643 300 A CB -1.590 17.403 19.000 -0.011 0.000 0.806 300 A HN 0.221 nan 8.150 nan 0.000 0.451 301 A N -1.215 121.591 122.820 -0.023 0.000 2.234 301 A HA 0.119 4.439 4.320 -0.000 0.000 0.216 301 A C 0.971 178.538 177.584 -0.028 0.000 1.167 301 A CA 0.825 52.845 52.037 -0.029 0.000 0.698 301 A CB -0.633 18.338 19.000 -0.049 0.000 0.779 301 A HN 0.633 nan 8.150 nan 0.000 0.475 302 L N 0.670 121.879 121.223 -0.023 0.000 2.281 302 L HA 0.575 4.915 4.340 -0.000 0.000 0.285 302 L C 0.865 177.732 176.870 -0.005 0.000 1.074 302 L CA -0.077 54.754 54.840 -0.016 0.000 0.817 302 L CB 0.354 42.404 42.059 -0.015 0.000 1.168 302 L HN 0.162 nan 8.230 nan 0.000 0.434 303 G N 3.249 112.051 108.800 0.003 0.000 2.699 303 G HA2 -0.032 3.927 3.960 -0.000 0.000 0.246 303 G HA3 -0.032 3.927 3.960 -0.000 0.000 0.246 303 G C 0.711 175.614 174.900 0.005 0.000 1.219 303 G CA -0.388 44.716 45.100 0.007 0.000 0.866 303 G HN 0.792 nan 8.290 nan 0.000 0.572 304 N N 0.414 119.117 118.700 0.006 0.000 2.364 304 N HA -0.101 4.639 4.740 -0.000 0.000 0.183 304 N C 1.676 177.189 175.510 0.006 0.000 1.022 304 N CA 1.114 54.167 53.050 0.004 0.000 0.883 304 N CB 0.018 38.508 38.487 0.004 0.000 0.965 304 N HN 0.588 nan 8.380 nan 0.000 0.438 305 D N 0.764 121.169 120.400 0.008 0.000 2.117 305 D HA -0.118 4.521 4.640 -0.000 0.000 0.197 305 D C 1.600 177.905 176.300 0.008 0.000 0.987 305 D CA 0.840 54.845 54.000 0.009 0.000 0.829 305 D CB -0.120 40.688 40.800 0.014 0.000 0.961 305 D HN 0.313 nan 8.370 nan 0.000 0.460 306 M N 0.610 120.215 119.600 0.008 0.000 2.595 306 M HA 0.194 4.674 4.480 -0.000 0.000 0.248 306 M C 2.255 178.557 176.300 0.004 0.000 1.119 306 M CA 0.102 55.406 55.300 0.007 0.000 1.079 306 M CB -0.649 31.955 32.600 0.007 0.000 1.472 306 M HN -0.087 nan 8.290 nan 0.000 0.501 307 A N 1.852 124.674 122.820 0.003 0.000 1.968 307 A HA -0.314 4.006 4.320 -0.000 0.000 0.227 307 A C 2.507 180.091 177.584 0.001 0.000 1.381 307 A CA 3.059 55.097 52.037 0.001 0.000 0.697 307 A CB -1.160 17.841 19.000 0.001 0.000 0.836 307 A HN 0.555 nan 8.150 nan 0.000 0.497 308 A N -0.949 121.871 122.820 0.001 0.000 1.908 308 A HA -0.068 4.251 4.320 -0.000 0.000 0.218 308 A C 2.171 179.755 177.584 -0.000 0.000 1.181 308 A CA 1.773 53.810 52.037 0.000 0.000 0.627 308 A CB -0.531 18.469 19.000 0.000 0.000 0.818 308 A HN 0.600 nan 8.150 nan 0.000 0.445 309 I N -0.217 120.353 120.570 0.001 0.000 2.585 309 I HA -0.172 3.998 4.170 -0.000 0.000 0.254 309 I C 2.356 178.472 176.117 -0.001 0.000 1.129 309 I CA 1.051 62.351 61.300 -0.000 0.000 1.455 309 I CB -0.548 37.453 38.000 0.001 0.000 1.111 309 I HN 0.625 nan 8.210 nan 0.000 0.433 310 E N 1.582 121.782 120.200 -0.001 0.000 2.245 310 E HA -0.363 3.987 4.350 -0.000 0.000 0.217 310 E C 2.104 178.703 176.600 -0.003 0.000 1.069 310 E CA 1.972 58.370 56.400 -0.002 0.000 0.877 310 E CB -0.846 28.852 29.700 -0.002 0.000 0.757 310 E HN 0.295 nan 8.360 nan 0.000 0.464 311 L N 1.232 122.454 121.223 -0.003 0.000 1.997 311 L HA -0.213 4.127 4.340 -0.000 0.000 0.216 311 L C 2.644 179.512 176.870 -0.003 0.000 1.074 311 L CA 2.240 57.078 54.840 -0.003 0.000 0.763 311 L CB -0.511 41.547 42.059 -0.002 0.000 0.890 311 L HN 0.172 nan 8.230 nan 0.000 0.434 312 R N -1.994 118.504 120.500 -0.004 0.000 2.148 312 R HA -0.064 4.276 4.340 -0.000 0.000 0.223 312 R C 2.081 178.378 176.300 -0.006 0.000 1.088 312 R CA 0.974 57.071 56.100 -0.005 0.000 0.985 312 R CB -0.286 30.010 30.300 -0.006 0.000 0.880 312 R HN 0.362 nan 8.270 nan 0.000 0.451 313 M N 0.514 120.111 119.600 -0.005 0.000 2.077 313 M HA -0.095 4.385 4.480 -0.000 0.000 0.261 313 M C 2.149 178.445 176.300 -0.007 0.000 1.070 313 M CA 1.573 56.870 55.300 -0.006 0.000 1.125 313 M CB -0.663 31.933 32.600 -0.006 0.000 1.339 313 M HN 0.033 nan 8.290 nan 0.000 0.409 314 R N 0.193 120.689 120.500 -0.006 0.000 2.105 314 R HA -0.137 4.202 4.340 -0.000 0.000 0.239 314 R C 1.961 178.259 176.300 -0.003 0.000 1.135 314 R CA 1.018 57.114 56.100 -0.007 0.000 0.967 314 R CB -0.650 29.647 30.300 -0.006 0.000 0.861 314 R HN 0.470 nan 8.270 nan 0.000 0.442 315 E N 1.068 121.267 120.200 -0.002 0.000 2.017 315 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 315 E C 2.287 178.890 176.600 0.005 0.000 0.997 315 E CA 0.845 57.246 56.400 0.002 0.000 0.804 315 E CB -0.357 29.344 29.700 0.001 0.000 0.757 315 E HN 0.286 nan 8.360 nan 0.000 0.448 316 L N 0.538 121.762 121.223 0.002 0.000 2.051 316 L HA -0.268 4.072 4.340 -0.000 0.000 0.214 316 L C 2.520 179.397 176.870 0.012 0.000 1.076 316 L CA 1.433 56.276 54.840 0.005 0.000 0.758 316 L CB -0.495 41.562 42.059 -0.004 0.000 0.890 316 L HN 0.105 nan 8.230 nan 0.000 0.433 317 A N -0.211 122.611 122.820 0.003 0.000 1.930 317 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 317 A C 2.336 179.923 177.584 0.004 0.000 1.175 317 A CA 1.347 53.384 52.037 -0.000 0.000 0.627 317 A CB -0.368 18.625 19.000 -0.012 0.000 0.815 317 A HN 0.332 nan 8.150 nan 0.000 0.443 318 R N -0.800 119.703 120.500 0.005 0.000 2.075 318 R HA -0.050 4.290 4.340 -0.000 0.000 0.232 318 R C 2.243 178.553 176.300 0.016 0.000 1.126 318 R CA 1.854 57.958 56.100 0.008 0.000 0.963 318 R CB -0.559 29.745 30.300 0.006 0.000 0.858 318 R HN 0.559 nan 8.270 nan 0.000 0.435 319 T N 1.052 115.621 114.554 0.024 0.000 2.735 319 T HA 0.066 4.415 4.350 -0.000 0.000 0.256 319 T C 1.055 175.787 174.700 0.052 0.000 1.042 319 T CA 0.700 62.823 62.100 0.038 0.000 1.147 319 T CB -0.028 68.867 68.868 0.045 0.000 0.865 319 T HN 0.017 nan 8.240 nan 0.000 0.421 320 I N 3.031 123.637 120.570 0.060 0.000 2.395 320 I HA 0.254 4.424 4.170 -0.000 0.000 0.289 320 I C -2.500 173.651 176.117 0.056 0.000 1.023 320 I CA -2.646 58.705 61.300 0.085 0.000 1.350 320 I CB 0.822 38.894 38.000 0.120 0.000 1.409 320 I HN -0.043 nan 8.210 nan 0.000 0.507 321 P HA 0.079 nan 4.420 nan 0.000 0.268 321 P C -2.021 175.284 177.300 0.008 0.000 1.205 321 P CA -0.949 62.161 63.100 0.016 0.000 0.771 321 P CB 0.100 31.802 31.700 0.004 0.000 0.858 322 P HA -0.274 nan 4.420 nan 0.000 0.212 322 P C 1.264 178.549 177.300 -0.026 0.000 1.174 322 P CA 2.155 65.245 63.100 -0.016 0.000 0.934 322 P CB -0.821 30.865 31.700 -0.023 0.000 0.791 323 T N 0.241 114.777 114.554 -0.031 0.000 2.522 323 T HA -0.275 4.074 4.350 -0.000 0.000 0.253 323 T C 1.428 176.084 174.700 -0.073 0.000 1.218 323 T CA 2.338 64.412 62.100 -0.043 0.000 1.155 323 T CB -1.607 67.241 68.868 -0.034 0.000 0.855 323 T HN 0.188 nan 8.240 nan 0.000 0.435 324 D N 0.584 120.935 120.400 -0.081 0.000 2.228 324 D HA -0.024 4.616 4.640 -0.000 0.000 0.203 324 D C 2.047 178.221 176.300 -0.210 0.000 0.988 324 D CA 0.629 54.522 54.000 -0.178 0.000 0.864 324 D CB -0.363 40.368 40.800 -0.114 0.000 0.928 324 D HN 0.427 nan 8.370 nan 0.000 0.469 325 I N 0.531 121.083 120.570 -0.029 0.000 2.286 325 I HA -0.226 3.944 4.170 -0.000 0.000 0.245 325 I C 2.396 178.536 176.117 0.039 0.000 1.104 325 I CA 0.621 61.973 61.300 0.087 0.000 1.397 325 I CB -0.066 37.984 38.000 0.082 0.000 1.072 325 I HN -0.069 nan 8.210 nan 0.000 0.417 326 Q N 0.643 120.429 119.800 -0.024 0.000 2.133 326 Q HA -0.223 4.117 4.340 -0.000 0.000 0.208 326 Q C 2.340 178.331 176.000 -0.015 0.000 0.991 326 Q CA 1.692 57.486 55.803 -0.016 0.000 0.867 326 Q CB -0.534 28.177 28.738 -0.045 0.000 0.911 326 Q HN 0.548 nan 8.270 nan 0.000 0.417 327 L N -0.861 120.252 121.223 -0.184 0.000 1.989 327 L HA -0.238 4.102 4.340 -0.000 0.000 0.211 327 L C 2.417 179.049 176.870 -0.397 0.000 1.071 327 L CA 1.516 56.134 54.840 -0.369 0.000 0.749 327 L CB -0.925 40.660 42.059 -0.791 0.000 0.890 327 L HN 0.185 nan 8.230 nan 0.000 0.431 328 Y N -0.565 119.498 120.300 -0.395 0.000 2.069 328 Y HA -0.366 4.184 4.550 -0.000 0.000 0.278 328 Y C 2.669 178.537 175.900 -0.053 0.000 1.175 328 Y CA 1.844 59.793 58.100 -0.252 0.000 1.134 328 Y CB -1.287 37.078 38.460 -0.157 0.000 0.965 328 Y HN 0.152 nan 8.280 nan 0.000 0.498 329 Y N 0.798 121.135 120.300 0.061 0.000 2.128 329 Y HA -0.364 4.185 4.550 -0.000 0.000 0.284 329 Y C 2.731 178.652 175.900 0.035 0.000 1.154 329 Y CA 2.278 60.407 58.100 0.050 0.000 1.149 329 Y CB -0.549 37.938 38.460 0.044 0.000 0.976 329 Y HN 0.275 nan 8.280 nan 0.000 0.505 330 Q N 0.005 119.952 119.800 0.246 0.000 2.020 330 Q HA -0.183 4.157 4.340 -0.000 0.000 0.202 330 Q C 1.992 178.003 176.000 0.018 0.000 0.982 330 Q CA 2.920 58.797 55.803 0.123 0.000 0.838 330 Q CB -0.533 28.293 28.738 0.148 0.000 0.899 330 Q HN 0.476 nan 8.270 nan 0.000 0.423 331 T N 1.409 115.998 114.554 0.059 0.000 2.737 331 T HA -0.150 4.200 4.350 -0.000 0.000 0.269 331 T C 1.694 176.419 174.700 0.041 0.000 1.040 331 T CA 1.460 63.620 62.100 0.101 0.000 1.142 331 T CB -0.192 68.811 68.868 0.224 0.000 0.861 331 T HN 0.251 nan 8.240 nan 0.000 0.456 332 L N -0.109 121.106 121.223 -0.013 0.000 2.072 332 L HA 0.032 4.371 4.340 -0.000 0.000 0.205 332 L C 2.429 179.224 176.870 -0.124 0.000 1.079 332 L CA 0.601 55.406 54.840 -0.058 0.000 0.752 332 L CB -0.553 41.460 42.059 -0.077 0.000 0.906 332 L HN 0.231 nan 8.230 nan 0.000 0.436 333 L N 0.575 121.655 121.223 -0.239 0.000 1.955 333 L HA -0.244 4.095 4.340 -0.000 0.000 0.213 333 L C 2.402 179.210 176.870 -0.104 0.000 1.072 333 L CA 1.829 56.528 54.840 -0.234 0.000 0.755 333 L CB -0.542 41.327 42.059 -0.317 0.000 0.888 333 L HN 0.056 nan 8.230 nan 0.000 0.432 334 I N -0.170 120.360 120.570 -0.066 0.000 2.147 334 I HA -0.388 3.781 4.170 -0.000 0.000 0.245 334 I C 2.384 178.480 176.117 -0.036 0.000 1.059 334 I CA 1.829 63.107 61.300 -0.037 0.000 1.320 334 I CB -1.175 36.820 38.000 -0.008 0.000 1.021 334 I HN 0.555 nan 8.210 nan 0.000 0.415 335 G N 0.145 108.929 108.800 -0.027 0.000 2.422 335 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.218 335 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.218 335 G C 1.721 176.612 174.900 -0.014 0.000 1.140 335 G CA 0.716 45.806 45.100 -0.016 0.000 0.775 335 G HN 0.374 nan 8.290 nan 0.000 0.545 336 R N 0.791 121.277 120.500 -0.023 0.000 2.066 336 R HA -0.027 4.312 4.340 -0.000 0.000 0.232 336 R C 2.359 178.659 176.300 -0.001 0.000 1.131 336 R CA 1.748 57.845 56.100 -0.005 0.000 0.955 336 R CB -0.405 29.881 30.300 -0.024 0.000 0.851 336 R HN 0.344 nan 8.270 nan 0.000 0.432 337 K N 0.998 121.381 120.400 -0.029 0.000 1.975 337 K HA -0.224 4.096 4.320 -0.000 0.000 0.225 337 K C 1.379 177.939 176.600 -0.067 0.000 1.050 337 K CA 2.322 58.580 56.287 -0.049 0.000 0.992 337 K CB -0.281 32.175 32.500 -0.074 0.000 0.738 337 K HN 0.234 nan 8.250 nan 0.000 0.446 338 E N 0.885 121.030 120.200 -0.092 0.000 2.495 338 E HA -0.129 4.221 4.350 -0.000 0.000 0.204 338 E C 1.333 177.966 176.600 0.054 0.000 1.163 338 E CA -0.160 56.179 56.400 -0.102 0.000 0.922 338 E CB -0.033 29.612 29.700 -0.092 0.000 0.918 338 E HN 0.261 nan 8.360 nan 0.000 0.537 339 L N 1.197 122.469 121.223 0.083 0.000 1.976 339 L HA -0.080 4.259 4.340 -0.000 0.000 0.209 339 L C -1.034 175.936 176.870 0.166 0.000 1.071 339 L CA 1.940 56.838 54.840 0.098 0.000 0.746 339 L CB -0.852 41.253 42.059 0.077 0.000 0.890 339 L HN 0.053 nan 8.230 nan 0.000 0.432 340 P HA -0.090 nan 4.420 nan 0.000 0.234 340 P C 0.466 177.789 177.300 0.038 0.000 1.167 340 P CA 1.184 64.367 63.100 0.137 0.000 0.763 340 P CB -0.084 31.677 31.700 0.101 0.000 0.835 341 Y N -0.492 119.807 120.300 -0.003 0.000 2.503 341 Y HA 0.344 4.894 4.550 -0.001 0.000 0.277 341 Y C 1.588 177.481 175.900 -0.011 0.000 1.102 341 Y CA -0.634 57.464 58.100 -0.004 0.000 1.261 341 Y CB -1.034 37.424 38.460 -0.003 0.000 1.096 341 Y HN -0.190 nan 8.280 nan 0.000 0.546 342 A N 1.301 124.202 122.820 0.134 0.000 2.445 342 A HA 0.180 4.500 4.320 -0.000 0.000 0.242 342 A C -1.315 176.274 177.584 0.008 0.000 1.075 342 A CA -1.003 51.063 52.037 0.048 0.000 0.777 342 A CB -0.180 18.829 19.000 0.015 0.000 1.013 342 A HN 0.128 nan 8.150 nan 0.000 0.493 343 P HA -0.134 nan 4.420 nan 0.000 0.217 343 P C -0.030 177.257 177.300 -0.021 0.000 1.158 343 P CA 1.560 64.652 63.100 -0.014 0.000 0.887 343 P CB 0.081 31.771 31.700 -0.016 0.000 0.792 344 D N -2.833 117.544 120.400 -0.038 0.000 2.350 344 D HA 0.192 4.831 4.640 -0.000 0.000 0.238 344 D C 1.278 177.535 176.300 -0.072 0.000 0.989 344 D CA -0.585 53.389 54.000 -0.043 0.000 0.921 344 D CB 1.193 41.952 40.800 -0.068 0.000 1.297 344 D HN -0.066 nan 8.370 nan 0.000 0.490 345 R N 0.536 121.006 120.500 -0.051 0.000 2.092 345 R HA -0.057 4.283 4.340 -0.000 0.000 0.231 345 R C 2.009 178.060 176.300 -0.416 0.000 1.119 345 R CA 0.624 56.670 56.100 -0.091 0.000 0.970 345 R CB 0.004 30.368 30.300 0.107 0.000 0.864 345 R HN 0.382 nan 8.270 nan 0.000 0.440 346 R N 1.551 121.706 120.500 -0.576 0.000 2.097 346 R HA -0.169 4.171 4.340 -0.000 0.000 0.236 346 R C 2.350 178.267 176.300 -0.638 0.000 1.135 346 R CA 1.991 57.461 56.100 -1.049 0.000 0.934 346 R CB -0.352 29.651 30.300 -0.494 0.000 0.846 346 R HN 0.180 nan 8.270 nan 0.000 0.431 347 M N 0.304 119.707 119.600 -0.328 0.000 2.089 347 M HA -0.157 4.323 4.480 -0.000 0.000 0.257 347 M C 2.066 178.250 176.300 -0.194 0.000 1.071 347 M CA 2.414 57.588 55.300 -0.209 0.000 1.096 347 M CB -0.581 31.948 32.600 -0.119 0.000 1.330 347 M HN 0.451 nan 8.290 nan 0.000 0.403 348 G N -0.529 108.163 108.800 -0.180 0.000 2.505 348 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.220 348 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.220 348 G C 1.295 176.107 174.900 -0.146 0.000 1.145 348 G CA 1.361 46.389 45.100 -0.121 0.000 0.761 348 G HN 0.443 nan 8.290 nan 0.000 0.571 349 V N 0.499 120.255 119.914 -0.264 0.000 2.358 349 V HA -0.142 3.978 4.120 -0.000 0.000 0.246 349 V C 2.629 178.614 176.094 -0.182 0.000 1.047 349 V CA 2.161 64.320 62.300 -0.236 0.000 1.035 349 V CB -0.513 31.057 31.823 -0.422 0.000 0.658 349 V HN 0.459 nan 8.190 nan 0.000 0.452 350 E N -0.246 119.815 120.200 -0.232 0.000 2.106 350 E HA -0.183 4.167 4.350 -0.000 0.000 0.192 350 E C 2.241 178.795 176.600 -0.078 0.000 0.984 350 E CA 1.355 57.668 56.400 -0.145 0.000 0.806 350 E CB -0.169 29.439 29.700 -0.154 0.000 0.750 350 E HN 0.556 nan 8.360 nan 0.000 0.458 351 M N -0.088 119.466 119.600 -0.077 0.000 2.254 351 M HA -0.084 4.396 4.480 -0.000 0.000 0.265 351 M C 2.227 178.517 176.300 -0.017 0.000 1.066 351 M CA 1.045 56.320 55.300 -0.041 0.000 1.123 351 M CB -0.150 32.426 32.600 -0.040 0.000 1.388 351 M HN 0.018 nan 8.290 nan 0.000 0.425 352 T N 1.432 115.972 114.554 -0.023 0.000 2.812 352 T HA 0.008 4.358 4.350 -0.000 0.000 0.264 352 T C 1.895 176.622 174.700 0.044 0.000 1.042 352 T CA 0.977 63.084 62.100 0.012 0.000 1.140 352 T CB -0.174 68.695 68.868 0.002 0.000 0.870 352 T HN 0.275 nan 8.240 nan 0.000 0.445 353 L N 0.568 121.804 121.223 0.023 0.000 2.017 353 L HA -0.078 4.262 4.340 -0.000 0.000 0.208 353 L C 2.473 179.383 176.870 0.067 0.000 1.073 353 L CA 1.160 56.028 54.840 0.047 0.000 0.745 353 L CB -0.714 41.356 42.059 0.019 0.000 0.894 353 L HN 0.253 nan 8.230 nan 0.000 0.432 354 L N -0.337 120.906 121.223 0.034 0.000 1.963 354 L HA -0.325 4.015 4.340 -0.000 0.000 0.220 354 L C 2.852 179.753 176.870 0.053 0.000 1.076 354 L CA 1.821 56.681 54.840 0.033 0.000 0.772 354 L CB -0.660 41.402 42.059 0.005 0.000 0.892 354 L HN 0.283 nan 8.230 nan 0.000 0.435 355 R N 0.194 120.721 120.500 0.045 0.000 2.113 355 R HA -0.254 4.086 4.340 -0.000 0.000 0.244 355 R C 2.151 178.513 176.300 0.104 0.000 1.142 355 R CA 1.979 58.100 56.100 0.034 0.000 0.953 355 R CB -0.363 29.964 30.300 0.045 0.000 0.860 355 R HN 0.417 nan 8.270 nan 0.000 0.438 356 A N 0.537 123.521 122.820 0.274 0.000 2.014 356 A HA -0.055 4.265 4.320 -0.000 0.000 0.218 356 A C 1.940 179.887 177.584 0.605 0.000 1.163 356 A CA 0.703 53.108 52.037 0.612 0.000 0.652 356 A CB -0.409 18.878 19.000 0.479 0.000 0.808 356 A HN 0.346 nan 8.150 nan 0.000 0.449 357 L N 0.112 121.511 121.223 0.294 0.000 1.956 357 L HA -0.101 4.239 4.340 -0.000 0.000 0.216 357 L C 2.068 179.096 176.870 0.263 0.000 1.073 357 L CA 2.067 57.043 54.840 0.227 0.000 0.762 357 L CB -1.004 41.122 42.059 0.111 0.000 0.889 357 L HN 0.335 nan 8.230 nan 0.000 0.433 358 A N -1.768 121.131 122.820 0.131 0.000 3.051 358 A HA 0.080 4.399 4.320 -0.000 0.000 0.257 358 A C 0.784 178.356 177.584 -0.020 0.000 1.785 358 A CA -0.037 52.037 52.037 0.061 0.000 1.420 358 A CB -1.362 17.625 19.000 -0.021 0.000 1.063 358 A HN 0.414 nan 8.150 nan 0.000 0.630 359 F N -1.623 118.405 119.950 0.131 0.000 2.724 359 F HA 0.120 4.647 4.527 0.000 0.000 0.306 359 F C 2.009 177.847 175.800 0.064 0.000 1.100 359 F CA 0.284 58.305 58.000 0.034 0.000 1.255 359 F CB 0.005 38.938 39.000 -0.112 0.000 1.072 359 F HN 0.730 nan 8.300 nan 0.000 0.589 360 H N 0.783 119.997 119.070 0.241 0.000 2.326 360 H HA 0.037 4.593 4.556 -0.000 0.000 0.301 360 H C -1.451 173.945 175.328 0.114 0.000 1.081 360 H CA 0.894 57.059 56.048 0.196 0.000 1.334 360 H CB -0.673 29.196 29.762 0.178 0.000 1.385 360 H HN 0.020 nan 8.280 nan 0.000 0.504 361 P HA 0.295 nan 4.420 nan 0.000 0.304 361 P C 0.163 177.401 177.300 -0.105 0.000 1.360 361 P CA -0.450 62.524 63.100 -0.211 0.000 0.869 361 P CB 2.041 33.691 31.700 -0.084 0.000 0.988 362 R N 1.908 122.337 120.500 -0.118 0.000 2.089 362 R HA 0.219 4.559 4.340 -0.000 0.000 0.222 362 R C 0.648 176.923 176.300 -0.041 0.000 1.151 362 R CA 1.205 57.269 56.100 -0.061 0.000 0.908 362 R CB -0.090 30.176 30.300 -0.057 0.000 0.813 362 R HN 0.493 nan 8.270 nan 0.000 0.440 363 M N 0.000 119.576 119.600 -0.039 0.000 2.572 363 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 363 M CA 0.000 55.284 55.300 -0.027 0.000 0.988 363 M CB 0.000 32.587 32.600 -0.021 0.000 1.302 363 M HN 0.000 nan 8.290 nan 0.000 0.411