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 1l0n_1_C DATA FIRST_RESID 3 DATA SEQUENCE NIRKSHPLMK IVNNAFIDLP APSNISSWWN FGSLLGICLI LQILTGLFLA DATA SEQUENCE MHYTSDTTTA FSSVTHICRD VNYGWIIRYM HANGASMFFI CLYMHVGRGL DATA SEQUENCE YYGSYTFLET WNIGVILLLT VMATAFMGYV LPWGQMSFWG ATVITNLLSA DATA SEQUENCE IPYIGTNLVE WIWGGFSVDK ATLTRFFAFH FILPFIIMAI AMVHLLFLHE DATA SEQUENCE TGSNNPTGIS SDVDKIPFHP YYTIKDILGA LLLILALMLL VLFAPDLLGD DATA SEQUENCE PDNYTPANPL NTPPHIKPEW YFLFAYAILR SIPNKLGGVL ALAFSILILA DATA SEQUENCE LIPLLHTSKQ RSMMFRPLSQ CLFWALVADL LTLTWIGGQP VEHPYITIGQ DATA SEQUENCE LASVLYFLLI LVLMPTAGTI ENKLLKW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.518 175.510 0.014 0.000 1.280 3 N CA 0.000 53.056 53.050 0.010 0.000 0.885 3 N CB 0.000 38.491 38.487 0.006 0.000 1.341 4 I N 1.996 122.570 120.570 0.007 0.000 2.264 4 I HA -0.161 4.009 4.170 -0.000 0.000 0.248 4 I C 2.208 178.343 176.117 0.030 0.000 1.111 4 I CA 1.315 62.619 61.300 0.006 0.000 1.382 4 I CB -0.948 37.036 38.000 -0.027 0.000 1.060 4 I HN 0.183 nan 8.210 nan 0.000 0.418 5 R N 1.124 121.638 120.500 0.023 0.000 2.096 5 R HA -0.117 4.223 4.340 -0.000 0.000 0.235 5 R C 2.353 178.677 176.300 0.039 0.000 1.127 5 R CA 1.242 57.363 56.100 0.034 0.000 0.968 5 R CB -0.043 30.269 30.300 0.020 0.000 0.861 5 R HN 0.434 nan 8.270 nan 0.000 0.440 6 K N -0.450 119.967 120.400 0.029 0.000 2.167 6 K HA -0.036 4.284 4.320 -0.000 0.000 0.203 6 K C 2.165 178.778 176.600 0.020 0.000 1.052 6 K CA 1.550 57.848 56.287 0.018 0.000 0.956 6 K CB 0.183 32.691 32.500 0.013 0.000 0.735 6 K HN 0.174 nan 8.250 nan 0.000 0.451 7 S N -0.259 115.465 115.700 0.039 0.000 2.427 7 S HA -0.066 4.404 4.470 -0.000 0.000 0.224 7 S C 0.866 175.503 174.600 0.062 0.000 1.047 7 S CA -0.045 58.179 58.200 0.040 0.000 0.953 7 S CB -0.543 62.680 63.200 0.039 0.000 0.824 7 S HN 0.303 nan 8.310 nan 0.000 0.502 8 H N 4.976 124.038 119.070 -0.013 0.000 3.125 8 H HA 0.207 4.763 4.556 -0.000 0.000 0.310 8 H C -1.940 173.378 175.328 -0.016 0.000 0.980 8 H CA -1.139 54.902 56.048 -0.012 0.000 1.422 8 H CB 0.510 30.266 29.762 -0.010 0.000 1.432 8 H HN 0.015 nan 8.280 nan 0.000 0.577 9 P HA -0.235 nan 4.420 nan 0.000 0.218 9 P C 1.429 178.547 177.300 -0.303 0.000 1.152 9 P CA 1.432 64.335 63.100 -0.329 0.000 0.857 9 P CB 0.224 31.735 31.700 -0.315 0.000 0.787 10 L N -2.577 118.374 121.223 -0.452 0.000 2.102 10 L HA -0.062 4.278 4.340 -0.000 0.000 0.202 10 L C 2.356 179.222 176.870 -0.006 0.000 1.076 10 L CA 0.983 55.736 54.840 -0.146 0.000 0.761 10 L CB -0.578 41.458 42.059 -0.039 0.000 0.921 10 L HN -0.045 nan 8.230 nan 0.000 0.444 11 M N -0.015 119.660 119.600 0.125 0.000 2.108 11 M HA -0.246 4.234 4.480 -0.000 0.000 0.261 11 M C 2.110 178.431 176.300 0.035 0.000 1.066 11 M CA 1.642 57.018 55.300 0.126 0.000 1.107 11 M CB -1.084 31.624 32.600 0.180 0.000 1.356 11 M HN 0.124 nan 8.290 nan 0.000 0.406 12 K N 0.120 120.518 120.400 -0.003 0.000 2.032 12 K HA -0.219 4.101 4.320 -0.000 0.000 0.218 12 K C 1.923 178.474 176.600 -0.081 0.000 1.054 12 K CA 1.567 57.828 56.287 -0.044 0.000 0.941 12 K CB -0.409 32.053 32.500 -0.064 0.000 0.720 12 K HN 0.240 nan 8.250 nan 0.000 0.449 13 I N 0.979 121.497 120.570 -0.087 0.000 2.118 13 I HA -0.273 3.897 4.170 -0.000 0.000 0.241 13 I C 2.459 178.483 176.117 -0.155 0.000 1.070 13 I CA 1.532 62.757 61.300 -0.126 0.000 1.327 13 I CB -1.361 36.590 38.000 -0.083 0.000 1.034 13 I HN -0.002 nan 8.210 nan 0.000 0.405 14 V N 1.270 121.164 119.914 -0.033 0.000 2.295 14 V HA -0.286 3.834 4.120 -0.000 0.000 0.246 14 V C 2.329 178.410 176.094 -0.021 0.000 1.049 14 V CA 2.340 64.683 62.300 0.071 0.000 1.024 14 V CB -1.285 30.638 31.823 0.168 0.000 0.648 14 V HN 0.419 nan 8.190 nan 0.000 0.447 15 N N 1.170 119.851 118.700 -0.030 0.000 2.069 15 N HA -0.192 4.548 4.740 -0.000 0.000 0.191 15 N C 1.549 176.989 175.510 -0.118 0.000 1.031 15 N CA 1.851 54.880 53.050 -0.036 0.000 0.852 15 N CB -0.282 38.194 38.487 -0.017 0.000 1.018 15 N HN 0.469 nan 8.380 nan 0.000 0.423 16 N N -0.426 118.154 118.700 -0.199 0.000 2.459 16 N HA 0.001 4.741 4.740 -0.000 0.000 0.181 16 N C 0.944 176.140 175.510 -0.522 0.000 1.046 16 N CA 0.981 53.861 53.050 -0.283 0.000 0.904 16 N CB -0.133 38.194 38.487 -0.266 0.000 0.964 16 N HN 0.414 nan 8.380 nan 0.000 0.444 17 A N -0.904 121.488 122.820 -0.713 0.000 2.035 17 A HA 0.269 4.589 4.320 -0.000 0.000 0.208 17 A C 0.863 177.734 177.584 -1.188 0.000 1.206 17 A CA 0.283 51.599 52.037 -1.200 0.000 0.773 17 A CB 0.117 18.184 19.000 -1.554 0.000 0.878 17 A HN 0.171 nan 8.150 nan 0.000 0.469 18 F N -1.423 118.379 119.950 -0.247 0.000 2.871 18 F HA 0.357 4.884 4.527 -0.000 0.000 0.344 18 F C 1.364 177.258 175.800 0.157 0.000 1.078 18 F CA -0.474 57.398 58.000 -0.214 0.000 1.149 18 F CB 0.425 39.379 39.000 -0.078 0.000 1.087 18 F HN 0.019 nan 8.300 nan 0.000 0.557 19 I N -0.229 120.461 120.570 0.200 0.000 3.341 19 I HA 0.117 4.287 4.170 -0.000 0.000 0.243 19 I C 0.848 177.103 176.117 0.230 0.000 1.094 19 I CA 0.669 62.102 61.300 0.222 0.000 1.507 19 I CB -0.768 37.288 38.000 0.094 0.000 1.441 19 I HN -0.114 nan 8.210 nan 0.000 0.465 20 D N 1.485 121.958 120.400 0.122 0.000 2.342 20 D HA 0.157 4.797 4.640 -0.000 0.000 0.221 20 D C 0.596 176.958 176.300 0.104 0.000 1.101 20 D CA -0.094 53.974 54.000 0.113 0.000 0.837 20 D CB 0.146 40.984 40.800 0.062 0.000 0.938 20 D HN 0.025 nan 8.370 nan 0.000 0.508 21 L N 2.073 123.358 121.223 0.103 0.000 2.534 21 L HA 0.205 4.545 4.340 -0.000 0.000 0.271 21 L C -2.457 174.521 176.870 0.180 0.000 1.178 21 L CA -1.041 53.845 54.840 0.078 0.000 0.907 21 L CB 0.299 42.361 42.059 0.004 0.000 1.164 21 L HN -0.254 nan 8.230 nan 0.000 0.482 22 P HA 0.273 nan 4.420 nan 0.000 0.271 22 P C -1.205 176.198 177.300 0.171 0.000 1.233 22 P CA 0.036 63.222 63.100 0.142 0.000 0.764 22 P CB 0.925 32.679 31.700 0.090 0.000 0.825 23 A N 5.556 128.509 122.820 0.222 0.000 2.413 23 A HA 0.770 5.090 4.320 -0.000 0.000 0.307 23 A C -2.794 174.877 177.584 0.145 0.000 1.087 23 A CA -2.260 49.901 52.037 0.207 0.000 0.750 23 A CB 0.854 20.052 19.000 0.331 0.000 1.296 23 A HN 0.256 nan 8.150 nan 0.000 0.423 24 P HA 0.108 nan 4.420 nan 0.000 0.271 24 P C 0.640 177.956 177.300 0.027 0.000 1.216 24 P CA 0.108 63.201 63.100 -0.011 0.000 0.771 24 P CB 0.878 32.510 31.700 -0.114 0.000 0.864 25 S N 0.705 116.400 115.700 -0.009 0.000 2.754 25 S HA 0.019 4.489 4.470 -0.000 0.000 0.223 25 S C 1.041 175.605 174.600 -0.061 0.000 0.951 25 S CA 0.396 58.567 58.200 -0.049 0.000 0.954 25 S CB -0.954 62.173 63.200 -0.122 0.000 0.780 25 S HN 0.345 nan 8.310 nan 0.000 0.509 26 N N 1.289 119.940 118.700 -0.083 0.000 2.210 26 N HA 0.274 5.014 4.740 -0.000 0.000 0.203 26 N C 0.253 175.591 175.510 -0.286 0.000 1.175 26 N CA -0.391 52.565 53.050 -0.156 0.000 0.894 26 N CB 0.191 38.576 38.487 -0.170 0.000 1.041 26 N HN 0.692 nan 8.380 nan 0.000 0.506 27 I N 0.567 120.897 120.570 -0.400 0.000 2.692 27 I HA 0.204 4.374 4.170 -0.000 0.000 0.284 27 I C 0.712 176.656 176.117 -0.289 0.000 1.159 27 I CA -0.494 60.362 61.300 -0.739 0.000 1.423 27 I CB 0.787 38.114 38.000 -1.122 0.000 1.380 27 I HN -0.011 nan 8.210 nan 0.000 0.580 28 S N 3.067 118.664 115.700 -0.173 0.000 2.745 28 S HA 0.340 4.810 4.470 -0.000 0.000 0.292 28 S C 1.003 175.751 174.600 0.246 0.000 1.127 28 S CA -0.267 57.997 58.200 0.106 0.000 1.007 28 S CB 1.423 64.752 63.200 0.215 0.000 1.165 28 S HN 0.706 nan 8.310 nan 0.000 0.544 29 S N 0.009 115.771 115.700 0.102 0.000 2.392 29 S HA -0.150 4.320 4.470 -0.000 0.000 0.232 29 S C 1.077 175.679 174.600 0.004 0.000 1.041 29 S CA 1.903 60.064 58.200 -0.064 0.000 1.026 29 S CB -0.724 62.315 63.200 -0.269 0.000 0.845 29 S HN 0.773 nan 8.310 nan 0.000 0.465 30 W N 0.170 121.716 121.300 0.410 0.000 2.747 30 W HA 0.046 4.706 4.660 -0.000 0.000 0.244 30 W C 1.475 178.216 176.519 0.371 0.000 1.270 30 W CA -0.412 57.218 57.345 0.474 0.000 1.333 30 W CB -0.320 29.345 29.460 0.343 0.000 1.139 30 W HN 0.382 nan 8.180 nan 0.000 0.662 31 W N -0.147 121.311 121.300 0.263 0.000 3.278 31 W HA 0.103 4.763 4.660 -0.000 0.000 0.308 31 W C 1.073 177.665 176.519 0.122 0.000 1.253 31 W CA 0.069 57.532 57.345 0.197 0.000 1.759 31 W CB -0.397 29.096 29.460 0.056 0.000 1.093 31 W HN 0.023 nan 8.180 nan 0.000 0.648 32 N N 0.121 118.894 118.700 0.122 0.000 2.446 32 N HA -0.078 4.662 4.740 -0.000 0.000 0.179 32 N C 1.143 176.525 175.510 -0.215 0.000 1.054 32 N CA 0.588 53.573 53.050 -0.107 0.000 0.905 32 N CB -0.279 38.036 38.487 -0.287 0.000 0.973 32 N HN 0.016 nan 8.380 nan 0.000 0.448 33 F N 1.336 121.356 119.950 0.116 0.000 2.408 33 F HA -0.002 4.525 4.527 -0.000 0.000 0.300 33 F C 2.465 178.149 175.800 -0.193 0.000 1.090 33 F CA 0.494 58.494 58.000 -0.001 0.000 1.427 33 F CB -0.787 38.263 39.000 0.083 0.000 1.070 33 F HN 0.022 nan 8.300 nan 0.000 0.549 34 G N 0.154 109.001 108.800 0.078 0.000 2.453 34 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.215 34 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.215 34 G C 1.826 176.717 174.900 -0.015 0.000 1.201 34 G CA 1.234 46.346 45.100 0.021 0.000 0.784 34 G HN 0.438 nan 8.290 nan 0.000 0.545 35 S N 0.805 116.533 115.700 0.047 0.000 2.383 35 S HA 0.023 4.493 4.470 -0.000 0.000 0.227 35 S C 2.371 176.943 174.600 -0.047 0.000 1.026 35 S CA 1.062 59.282 58.200 0.035 0.000 0.981 35 S CB -0.460 62.793 63.200 0.088 0.000 0.818 35 S HN 0.277 nan 8.310 nan 0.000 0.472 36 L N 0.879 122.051 121.223 -0.085 0.000 2.042 36 L HA -0.108 4.232 4.340 -0.000 0.000 0.210 36 L C 2.650 179.404 176.870 -0.194 0.000 1.076 36 L CA 1.290 56.063 54.840 -0.111 0.000 0.749 36 L CB -0.781 41.218 42.059 -0.101 0.000 0.893 36 L HN 0.296 nan 8.230 nan 0.000 0.432 37 L N -0.534 120.513 121.223 -0.293 0.000 2.017 37 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 37 L C 2.752 179.412 176.870 -0.351 0.000 1.073 37 L CA 1.442 55.955 54.840 -0.545 0.000 0.745 37 L CB -1.263 40.431 42.059 -0.609 0.000 0.894 37 L HN 0.317 nan 8.230 nan 0.000 0.432 38 G N 0.525 109.220 108.800 -0.174 0.000 2.529 38 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.219 38 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.219 38 G C 1.530 176.400 174.900 -0.051 0.000 1.177 38 G CA 0.896 45.958 45.100 -0.064 0.000 0.773 38 G HN 0.194 nan 8.290 nan 0.000 0.573 39 I N 0.592 121.123 120.570 -0.064 0.000 2.127 39 I HA -0.185 3.985 4.170 -0.000 0.000 0.241 39 I C 2.997 179.099 176.117 -0.025 0.000 1.075 39 I CA 1.022 62.299 61.300 -0.038 0.000 1.334 39 I CB -1.076 36.900 38.000 -0.040 0.000 1.040 39 I HN 0.207 nan 8.210 nan 0.000 0.405 40 C N 0.386 119.638 119.300 -0.080 0.000 2.413 40 C HA -0.168 4.292 4.460 -0.000 0.000 0.277 40 C C 2.808 177.898 174.990 0.165 0.000 1.265 40 C CA 0.439 59.453 59.018 -0.007 0.000 1.752 40 C CB -1.118 26.498 27.740 -0.208 0.000 1.998 40 C HN 0.486 nan 8.230 nan 0.000 0.489 41 L N 1.418 122.729 121.223 0.146 0.000 2.046 41 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 41 L C 2.180 179.120 176.870 0.115 0.000 1.077 41 L CA 1.803 56.795 54.840 0.253 0.000 0.747 41 L CB -0.881 41.292 42.059 0.190 0.000 0.896 41 L HN 0.488 nan 8.230 nan 0.000 0.432 42 I N -1.595 119.020 120.570 0.076 0.000 2.252 42 I HA -0.242 3.928 4.170 -0.000 0.000 0.245 42 I C 2.353 178.511 176.117 0.068 0.000 1.102 42 I CA 1.629 62.970 61.300 0.069 0.000 1.385 42 I CB -0.115 37.917 38.000 0.053 0.000 1.064 42 I HN 0.367 nan 8.210 nan 0.000 0.414 43 L N 0.821 122.080 121.223 0.060 0.000 2.083 43 L HA -0.219 4.121 4.340 -0.000 0.000 0.209 43 L C 2.497 179.420 176.870 0.087 0.000 1.083 43 L CA 1.541 56.416 54.840 0.058 0.000 0.752 43 L CB -0.491 41.598 42.059 0.049 0.000 0.899 43 L HN 0.354 nan 8.230 nan 0.000 0.433 44 Q N -0.429 119.424 119.800 0.088 0.000 2.435 44 Q HA -0.030 4.310 4.340 -0.000 0.000 0.207 44 Q C 2.094 178.155 176.000 0.100 0.000 0.956 44 Q CA 1.032 56.878 55.803 0.072 0.000 0.917 44 Q CB 0.376 29.089 28.738 -0.042 0.000 0.997 44 Q HN 0.665 nan 8.270 nan 0.000 0.497 45 I N -0.313 120.295 120.570 0.065 0.000 2.628 45 I HA -0.168 4.002 4.170 -0.000 0.000 0.255 45 I C 2.147 178.331 176.117 0.113 0.000 1.119 45 I CA 0.279 61.605 61.300 0.042 0.000 1.448 45 I CB 0.051 38.090 38.000 0.067 0.000 1.133 45 I HN 0.144 nan 8.210 nan 0.000 0.438 46 L N 0.802 122.103 121.223 0.131 0.000 1.994 46 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 46 L C 2.760 179.732 176.870 0.170 0.000 1.071 46 L CA 2.280 57.217 54.840 0.162 0.000 0.745 46 L CB -0.347 41.763 42.059 0.085 0.000 0.892 46 L HN 0.359 nan 8.230 nan 0.000 0.431 47 T N -3.930 110.685 114.554 0.101 0.000 2.951 47 T HA -0.037 4.313 4.350 -0.000 0.000 0.268 47 T C 1.864 176.590 174.700 0.045 0.000 1.073 47 T CA 0.682 62.825 62.100 0.072 0.000 1.134 47 T CB -0.975 67.955 68.868 0.103 0.000 0.884 47 T HN 0.419 nan 8.240 nan 0.000 0.479 48 G N 1.529 110.350 108.800 0.036 0.000 2.418 48 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.217 48 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.217 48 G C 1.415 176.233 174.900 -0.136 0.000 1.158 48 G CA 0.895 45.864 45.100 -0.217 0.000 0.771 48 G HN 0.473 nan 8.290 nan 0.000 0.545 49 L N -0.461 120.771 121.223 0.015 0.000 2.027 49 L HA 0.178 4.518 4.340 -0.000 0.000 0.206 49 L C 2.487 179.414 176.870 0.094 0.000 1.074 49 L CA 1.494 56.360 54.840 0.044 0.000 0.745 49 L CB -0.567 41.578 42.059 0.144 0.000 0.898 49 L HN 0.170 nan 8.230 nan 0.000 0.433 50 F N -1.229 118.729 119.950 0.013 0.000 2.269 50 F HA -0.185 4.342 4.527 -0.000 0.000 0.301 50 F C 2.158 178.023 175.800 0.109 0.000 1.082 50 F CA 0.978 59.014 58.000 0.060 0.000 1.360 50 F CB -0.575 38.452 39.000 0.046 0.000 1.041 50 F HN 0.099 nan 8.300 nan 0.000 0.512 51 L N -0.199 121.132 121.223 0.180 0.000 2.072 51 L HA -0.033 4.307 4.340 -0.000 0.000 0.205 51 L C 2.437 179.408 176.870 0.168 0.000 1.079 51 L CA 1.619 56.523 54.840 0.108 0.000 0.752 51 L CB -1.182 40.806 42.059 -0.118 0.000 0.906 51 L HN 0.062 nan 8.230 nan 0.000 0.436 52 A N -1.325 121.581 122.820 0.143 0.000 2.172 52 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 52 A C 2.057 179.765 177.584 0.207 0.000 1.154 52 A CA 1.171 53.382 52.037 0.289 0.000 0.701 52 A CB -0.635 18.584 19.000 0.365 0.000 0.789 52 A HN 0.474 nan 8.150 nan 0.000 0.465 53 M N -1.276 118.351 119.600 0.046 0.000 2.618 53 M HA 0.075 4.555 4.480 -0.000 0.000 0.240 53 M C 0.928 176.944 176.300 -0.473 0.000 1.123 53 M CA 0.718 55.884 55.300 -0.223 0.000 1.060 53 M CB -0.048 32.318 32.600 -0.390 0.000 1.535 53 M HN 0.480 nan 8.290 nan 0.000 0.507 54 H N -2.886 116.257 119.070 0.122 0.000 3.734 54 H HA 0.156 4.712 4.556 -0.000 0.000 0.253 54 H C -0.272 175.142 175.328 0.143 0.000 1.072 54 H CA -0.237 55.893 56.048 0.137 0.000 1.147 54 H CB 0.422 30.246 29.762 0.103 0.000 1.495 54 H HN 0.257 nan 8.280 nan 0.000 0.588 55 Y N 3.805 124.168 120.300 0.107 0.000 2.336 55 Y HA 0.278 4.828 4.550 -0.000 0.000 0.331 55 Y C 0.348 176.188 175.900 -0.099 0.000 1.211 55 Y CA -0.005 58.081 58.100 -0.024 0.000 1.346 55 Y CB 0.908 39.298 38.460 -0.117 0.000 1.271 55 Y HN -0.009 nan 8.280 nan 0.000 0.538 56 T N 1.004 114.947 114.554 -1.018 0.000 2.861 56 T HA 0.325 4.675 4.350 -0.000 0.000 0.287 56 T C -0.077 173.898 174.700 -1.209 0.000 1.003 56 T CA -0.435 61.200 62.100 -0.774 0.000 0.977 56 T CB 1.180 69.798 68.868 -0.417 0.000 0.996 56 T HN 0.697 nan 8.240 nan 0.000 0.448 57 S N 1.000 116.274 115.700 -0.710 0.000 2.667 57 S HA 0.225 4.695 4.470 -0.000 0.000 0.251 57 S C -0.294 174.095 174.600 -0.352 0.000 1.075 57 S CA -0.607 57.298 58.200 -0.491 0.000 1.130 57 S CB -0.578 62.499 63.200 -0.206 0.000 0.795 57 S HN 0.766 nan 8.310 nan 0.000 0.462 58 D N 1.630 121.802 120.400 -0.381 0.000 2.375 58 D HA 0.287 4.927 4.640 -0.000 0.000 0.247 58 D C 1.551 177.641 176.300 -0.349 0.000 1.061 58 D CA -0.062 53.750 54.000 -0.313 0.000 0.834 58 D CB 2.160 42.824 40.800 -0.227 0.000 1.247 58 D HN 0.224 nan 8.370 nan 0.000 0.489 59 T N 0.216 114.514 114.554 -0.426 0.000 2.653 59 T HA -0.333 4.017 4.350 -0.000 0.000 0.267 59 T C 1.673 176.258 174.700 -0.191 0.000 1.037 59 T CA 2.473 64.295 62.100 -0.464 0.000 1.159 59 T CB -0.961 67.679 68.868 -0.380 0.000 0.859 59 T HN 0.501 nan 8.240 nan 0.000 0.449 60 T N -0.495 113.973 114.554 -0.143 0.000 3.085 60 T HA 0.049 4.399 4.350 -0.000 0.000 0.263 60 T C 1.819 176.483 174.700 -0.060 0.000 1.127 60 T CA 1.318 63.372 62.100 -0.076 0.000 1.103 60 T CB -0.624 68.199 68.868 -0.075 0.000 0.921 60 T HN 0.747 nan 8.240 nan 0.000 0.510 61 T N -3.121 111.371 114.554 -0.104 0.000 2.986 61 T HA 0.633 4.983 4.350 -0.000 0.000 0.264 61 T C 2.096 176.729 174.700 -0.112 0.000 0.964 61 T CA 0.362 62.405 62.100 -0.095 0.000 0.895 61 T CB -0.195 68.587 68.868 -0.143 0.000 1.163 61 T HN 0.328 nan 8.240 nan 0.000 0.517 62 A N 2.011 124.738 122.820 -0.156 0.000 1.852 62 A HA -0.062 4.258 4.320 -0.000 0.000 0.217 62 A C 1.862 179.491 177.584 0.074 0.000 1.215 62 A CA 1.955 53.895 52.037 -0.162 0.000 0.641 62 A CB -1.404 17.518 19.000 -0.131 0.000 0.838 62 A HN 0.498 nan 8.150 nan 0.000 0.450 63 F N 0.448 120.430 119.950 0.055 0.000 2.134 63 F HA -0.145 4.382 4.527 -0.000 0.000 0.299 63 F C 2.817 178.664 175.800 0.077 0.000 1.097 63 F CA 1.921 59.980 58.000 0.100 0.000 1.264 63 F CB -0.292 38.774 39.000 0.110 0.000 1.001 63 F HN 0.234 nan 8.300 nan 0.000 0.479 64 S N -0.844 115.028 115.700 0.286 0.000 2.383 64 S HA -0.198 4.272 4.470 -0.000 0.000 0.229 64 S C 2.255 176.908 174.600 0.088 0.000 1.030 64 S CA 1.634 59.941 58.200 0.178 0.000 1.002 64 S CB -0.531 62.736 63.200 0.113 0.000 0.829 64 S HN 0.457 nan 8.310 nan 0.000 0.467 65 S N 0.341 116.064 115.700 0.038 0.000 2.402 65 S HA -0.019 4.451 4.470 -0.000 0.000 0.229 65 S C 1.799 176.469 174.600 0.118 0.000 1.021 65 S CA 1.012 59.254 58.200 0.071 0.000 0.974 65 S CB -0.184 62.972 63.200 -0.072 0.000 0.800 65 S HN 0.405 nan 8.310 nan 0.000 0.484 66 V N 2.143 122.087 119.914 0.051 0.000 2.427 66 V HA -0.148 3.972 4.120 -0.000 0.000 0.248 66 V C 2.864 178.924 176.094 -0.056 0.000 1.051 66 V CA 1.991 64.290 62.300 -0.002 0.000 1.048 66 V CB -1.369 30.403 31.823 -0.086 0.000 0.666 66 V HN 0.748 nan 8.190 nan 0.000 0.456 67 T N -1.950 112.558 114.554 -0.076 0.000 2.777 67 T HA -0.290 4.060 4.350 -0.000 0.000 0.266 67 T C 1.903 176.632 174.700 0.049 0.000 1.040 67 T CA 1.693 63.782 62.100 -0.018 0.000 1.141 67 T CB -0.770 68.118 68.868 0.033 0.000 0.868 67 T HN 0.669 nan 8.240 nan 0.000 0.444 68 H N 1.165 120.229 119.070 -0.011 0.000 2.390 68 H HA -0.074 4.482 4.556 -0.000 0.000 0.298 68 H C 2.144 177.456 175.328 -0.028 0.000 1.106 68 H CA 1.802 57.847 56.048 -0.006 0.000 1.297 68 H CB -0.290 29.474 29.762 0.005 0.000 1.375 68 H HN 0.437 nan 8.280 nan 0.000 0.509 69 I N 0.235 120.680 120.570 -0.208 0.000 2.202 69 I HA -0.306 3.864 4.170 -0.000 0.000 0.242 69 I C 2.693 178.698 176.117 -0.188 0.000 1.091 69 I CA 1.109 62.232 61.300 -0.295 0.000 1.368 69 I CB -0.194 37.714 38.000 -0.152 0.000 1.058 69 I HN 0.380 nan 8.210 nan 0.000 0.410 70 C N 0.421 119.670 119.300 -0.085 0.000 2.468 70 C HA 0.017 4.477 4.460 -0.000 0.000 0.277 70 C C 2.638 177.653 174.990 0.042 0.000 1.400 70 C CA 0.289 59.310 59.018 0.004 0.000 1.770 70 C CB -1.135 26.612 27.740 0.013 0.000 1.905 70 C HN 0.437 nan 8.230 nan 0.000 0.519 71 R N 0.676 121.171 120.500 -0.008 0.000 2.121 71 R HA 0.097 4.437 4.340 -0.000 0.000 0.206 71 R C 0.995 177.284 176.300 -0.018 0.000 1.094 71 R CA 0.933 57.033 56.100 -0.000 0.000 1.055 71 R CB -0.566 29.744 30.300 0.016 0.000 0.964 71 R HN 0.420 nan 8.270 nan 0.000 0.473 72 D N 0.818 121.181 120.400 -0.060 0.000 2.338 72 D HA 0.051 4.691 4.640 -0.000 0.000 0.224 72 D C 0.527 176.737 176.300 -0.149 0.000 0.967 72 D CA 0.338 54.299 54.000 -0.065 0.000 0.896 72 D CB 0.167 40.999 40.800 0.053 0.000 1.028 72 D HN -0.170 nan 8.370 nan 0.000 0.493 73 V N 2.775 122.500 119.914 -0.315 0.000 2.529 73 V HA -0.013 4.107 4.120 -0.000 0.000 0.292 73 V C 0.104 176.075 176.094 -0.205 0.000 1.028 73 V CA -0.342 61.752 62.300 -0.344 0.000 1.074 73 V CB -0.204 31.243 31.823 -0.626 0.000 0.958 73 V HN 0.099 nan 8.190 nan 0.000 0.481 74 N N 5.162 123.783 118.700 -0.131 0.000 2.411 74 N HA 0.107 4.847 4.740 -0.000 0.000 0.265 74 N C -0.061 175.393 175.510 -0.093 0.000 1.266 74 N CA -0.030 52.937 53.050 -0.138 0.000 0.889 74 N CB -0.285 38.222 38.487 0.033 0.000 1.069 74 N HN 0.743 nan 8.380 nan 0.000 0.476 75 Y N -1.169 119.012 120.300 -0.197 0.000 4.324 75 Y HA -0.287 4.263 4.550 -0.000 0.000 0.224 75 Y C 1.819 177.411 175.900 -0.513 0.000 1.113 75 Y CA 0.429 58.237 58.100 -0.487 0.000 1.887 75 Y CB -1.880 36.354 38.460 -0.377 0.000 1.602 75 Y HN 0.797 nan 8.280 nan 0.000 0.654 76 G N 0.635 109.281 108.800 -0.257 0.000 2.422 76 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.218 76 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.218 76 G C 1.374 176.135 174.900 -0.231 0.000 1.146 76 G CA 0.964 45.928 45.100 -0.227 0.000 0.769 76 G HN 0.792 nan 8.290 nan 0.000 0.547 77 W N 1.783 122.964 121.300 -0.200 0.000 2.335 77 W HA -0.111 4.549 4.660 -0.000 0.000 0.311 77 W C 2.065 178.395 176.519 -0.315 0.000 1.213 77 W CA 1.237 58.386 57.345 -0.328 0.000 1.274 77 W CB -1.168 28.190 29.460 -0.170 0.000 1.148 77 W HN 0.282 nan 8.180 nan 0.000 0.498 78 I N 0.627 120.810 120.570 -0.645 0.000 2.202 78 I HA -0.270 3.900 4.170 -0.000 0.000 0.242 78 I C 2.701 178.701 176.117 -0.195 0.000 1.091 78 I CA 1.566 62.629 61.300 -0.395 0.000 1.368 78 I CB -1.236 36.359 38.000 -0.675 0.000 1.058 78 I HN -0.089 nan 8.210 nan 0.000 0.410 79 I N 0.791 121.211 120.570 -0.250 0.000 2.151 79 I HA -0.299 3.871 4.170 -0.000 0.000 0.243 79 I C 2.988 179.066 176.117 -0.065 0.000 1.080 79 I CA 1.371 62.588 61.300 -0.139 0.000 1.339 79 I CB -0.534 37.388 38.000 -0.131 0.000 1.039 79 I HN 0.281 nan 8.210 nan 0.000 0.409 80 R N 0.850 121.265 120.500 -0.143 0.000 2.080 80 R HA -0.218 4.122 4.340 -0.000 0.000 0.236 80 R C 2.350 178.668 176.300 0.030 0.000 1.137 80 R CA 2.119 58.146 56.100 -0.121 0.000 0.943 80 R CB -0.713 29.423 30.300 -0.274 0.000 0.846 80 R HN 0.308 nan 8.270 nan 0.000 0.431 81 Y N 0.206 120.613 120.300 0.178 0.000 2.352 81 Y HA -0.058 4.492 4.550 -0.000 0.000 0.292 81 Y C 2.465 178.468 175.900 0.171 0.000 1.136 81 Y CA 0.893 59.111 58.100 0.196 0.000 1.227 81 Y CB -0.631 37.967 38.460 0.230 0.000 0.991 81 Y HN 0.032 nan 8.280 nan 0.000 0.545 82 M N -1.437 118.311 119.600 0.247 0.000 2.175 82 M HA -0.209 4.271 4.480 -0.000 0.000 0.264 82 M C 2.046 178.467 176.300 0.202 0.000 1.063 82 M CA 1.728 57.137 55.300 0.182 0.000 1.119 82 M CB -0.454 32.202 32.600 0.094 0.000 1.377 82 M HN 0.278 nan 8.290 nan 0.000 0.415 83 H N 0.378 119.514 119.070 0.110 0.000 2.270 83 H HA -0.048 4.508 4.556 -0.000 0.000 0.299 83 H C 1.993 177.420 175.328 0.164 0.000 1.077 83 H CA 2.314 58.428 56.048 0.110 0.000 1.294 83 H CB -0.206 29.605 29.762 0.081 0.000 1.371 83 H HN 0.304 nan 8.280 nan 0.000 0.491 84 A N 0.805 123.801 122.820 0.293 0.000 1.869 84 A HA -0.291 4.029 4.320 -0.000 0.000 0.218 84 A C 2.255 179.988 177.584 0.249 0.000 1.203 84 A CA 2.222 54.427 52.037 0.279 0.000 0.638 84 A CB -0.713 18.506 19.000 0.366 0.000 0.831 84 A HN 0.610 nan 8.150 nan 0.000 0.450 85 N N -0.329 118.525 118.700 0.256 0.000 2.331 85 N HA -0.075 4.665 4.740 -0.000 0.000 0.180 85 N C 1.752 177.391 175.510 0.216 0.000 1.019 85 N CA 1.160 54.358 53.050 0.245 0.000 0.881 85 N CB -0.526 38.097 38.487 0.227 0.000 0.972 85 N HN 0.528 nan 8.380 nan 0.000 0.435 86 G N 0.615 109.510 108.800 0.158 0.000 2.443 86 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.219 86 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.219 86 G C 1.638 176.618 174.900 0.135 0.000 1.131 86 G CA 0.831 46.009 45.100 0.130 0.000 0.775 86 G HN 0.384 nan 8.290 nan 0.000 0.547 87 A N 0.601 123.475 122.820 0.089 0.000 1.930 87 A HA 0.087 4.407 4.320 -0.000 0.000 0.217 87 A C 2.656 180.353 177.584 0.187 0.000 1.175 87 A CA 2.100 54.172 52.037 0.060 0.000 0.627 87 A CB -0.424 18.605 19.000 0.047 0.000 0.815 87 A HN 0.285 nan 8.150 nan 0.000 0.443 88 S N -0.730 115.175 115.700 0.342 0.000 2.395 88 S HA -0.050 4.420 4.470 -0.000 0.000 0.225 88 S C 2.024 176.933 174.600 0.516 0.000 1.027 88 S CA 1.232 59.785 58.200 0.588 0.000 0.965 88 S CB -0.251 63.452 63.200 0.838 0.000 0.812 88 S HN 0.440 nan 8.310 nan 0.000 0.482 89 M N 0.323 120.129 119.600 0.344 0.000 2.159 89 M HA -0.021 4.459 4.480 -0.000 0.000 0.263 89 M C 1.813 178.227 176.300 0.189 0.000 1.063 89 M CA 1.252 56.704 55.300 0.253 0.000 1.110 89 M CB -1.328 31.381 32.600 0.182 0.000 1.374 89 M HN 0.326 nan 8.290 nan 0.000 0.411 90 F N -0.077 119.864 119.950 -0.014 0.000 2.216 90 F HA -0.182 4.345 4.527 -0.000 0.000 0.300 90 F C 1.903 177.483 175.800 -0.367 0.000 1.085 90 F CA 1.332 59.209 58.000 -0.205 0.000 1.326 90 F CB -0.299 38.512 39.000 -0.315 0.000 1.027 90 F HN -0.040 nan 8.300 nan 0.000 0.497 91 F N -0.563 119.375 119.950 -0.019 0.000 2.293 91 F HA -0.124 4.403 4.527 -0.000 0.000 0.297 91 F C 2.266 177.944 175.800 -0.203 0.000 1.089 91 F CA 0.562 58.367 58.000 -0.326 0.000 1.377 91 F CB -0.326 38.258 39.000 -0.693 0.000 1.051 91 F HN -0.133 nan 8.300 nan 0.000 0.511 92 I N -0.763 120.004 120.570 0.328 0.000 2.226 92 I HA -0.307 3.863 4.170 -0.000 0.000 0.245 92 I C 2.380 178.551 176.117 0.089 0.000 1.100 92 I CA 1.178 62.679 61.300 0.334 0.000 1.374 92 I CB -1.286 36.905 38.000 0.319 0.000 1.057 92 I HN 0.234 nan 8.210 nan 0.000 0.413 93 C N 0.387 119.699 119.300 0.020 0.000 2.429 93 C HA -0.151 4.309 4.460 -0.000 0.000 0.277 93 C C 2.799 177.698 174.990 -0.152 0.000 1.262 93 C CA 0.177 59.171 59.018 -0.040 0.000 1.733 93 C CB -1.155 26.590 27.740 0.008 0.000 2.010 93 C HN 0.428 nan 8.230 nan 0.000 0.483 94 L N 0.055 121.122 121.223 -0.260 0.000 2.012 94 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 94 L C 2.373 179.205 176.870 -0.064 0.000 1.073 94 L CA 2.056 56.736 54.840 -0.268 0.000 0.748 94 L CB -1.022 40.733 42.059 -0.505 0.000 0.891 94 L HN 0.337 nan 8.230 nan 0.000 0.431 95 Y N -1.964 118.355 120.300 0.032 0.000 2.242 95 Y HA -0.230 4.320 4.550 -0.000 0.000 0.291 95 Y C 2.468 178.360 175.900 -0.014 0.000 1.137 95 Y CA 1.088 59.208 58.100 0.034 0.000 1.181 95 Y CB -0.868 37.653 38.460 0.101 0.000 0.989 95 Y HN 0.167 nan 8.280 nan 0.000 0.527 96 M N -0.920 118.690 119.600 0.017 0.000 2.065 96 M HA -0.202 4.278 4.480 -0.000 0.000 0.259 96 M C 2.126 178.432 176.300 0.009 0.000 1.069 96 M CA 1.818 57.029 55.300 -0.148 0.000 1.110 96 M CB -0.926 31.056 32.600 -1.030 0.000 1.328 96 M HN 0.232 nan 8.290 nan 0.000 0.405 97 H N -0.713 118.306 119.070 -0.084 0.000 2.319 97 H HA -0.122 4.434 4.556 -0.000 0.000 0.297 97 H C 1.916 177.287 175.328 0.072 0.000 1.097 97 H CA 2.203 58.276 56.048 0.042 0.000 1.285 97 H CB -0.327 29.455 29.762 0.034 0.000 1.368 97 H HN 0.151 nan 8.280 nan 0.000 0.495 98 V N -0.359 119.650 119.914 0.159 0.000 2.295 98 V HA -0.197 3.923 4.120 -0.000 0.000 0.246 98 V C 2.705 178.901 176.094 0.169 0.000 1.049 98 V CA 1.864 64.234 62.300 0.117 0.000 1.024 98 V CB -1.179 30.702 31.823 0.095 0.000 0.648 98 V HN 0.708 nan 8.190 nan 0.000 0.447 99 G N -0.156 108.718 108.800 0.124 0.000 2.440 99 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.218 99 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.218 99 G C 1.728 176.670 174.900 0.069 0.000 1.154 99 G CA 0.860 46.033 45.100 0.121 0.000 0.767 99 G HN 0.325 nan 8.290 nan 0.000 0.552 100 R N 1.098 121.598 120.500 0.000 0.000 2.091 100 R HA -0.069 4.271 4.340 -0.000 0.000 0.238 100 R C 2.690 178.986 176.300 -0.006 0.000 1.136 100 R CA 1.967 58.029 56.100 -0.064 0.000 0.959 100 R CB -1.204 29.075 30.300 -0.036 0.000 0.856 100 R HN 0.308 nan 8.270 nan 0.000 0.437 101 G N 1.140 109.958 108.800 0.031 0.000 2.408 101 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.217 101 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.217 101 G C 1.684 176.666 174.900 0.136 0.000 1.150 101 G CA 0.360 45.520 45.100 0.099 0.000 0.776 101 G HN 0.314 nan 8.290 nan 0.000 0.542 102 L N -1.074 120.269 121.223 0.200 0.000 2.027 102 L HA -0.011 4.329 4.340 -0.000 0.000 0.206 102 L C 2.560 179.444 176.870 0.023 0.000 1.074 102 L CA 1.370 56.315 54.840 0.175 0.000 0.745 102 L CB -0.250 41.926 42.059 0.196 0.000 0.898 102 L HN 0.373 nan 8.230 nan 0.000 0.433 103 Y N -0.717 119.356 120.300 -0.379 0.000 2.181 103 Y HA -0.307 4.243 4.550 -0.000 0.000 0.288 103 Y C 1.780 177.243 175.900 -0.729 0.000 1.146 103 Y CA 1.829 59.391 58.100 -0.896 0.000 1.164 103 Y CB -0.154 37.383 38.460 -1.537 0.000 0.982 103 Y HN 0.160 nan 8.280 nan 0.000 0.515 104 Y N -0.302 119.961 120.300 -0.062 0.000 2.466 104 Y HA 0.232 4.782 4.550 -0.000 0.000 0.272 104 Y C 1.777 177.528 175.900 -0.248 0.000 1.169 104 Y CA 0.275 58.328 58.100 -0.077 0.000 1.285 104 Y CB 0.211 38.703 38.460 0.054 0.000 1.078 104 Y HN 0.261 nan 8.280 nan 0.000 0.523 105 G N -0.593 108.022 108.800 -0.309 0.000 2.155 105 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.257 105 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.257 105 G C 1.247 175.538 174.900 -1.016 0.000 0.983 105 G CA 0.658 45.222 45.100 -0.894 0.000 0.676 105 G HN 0.379 nan 8.290 nan 0.000 0.528 106 S N -0.381 114.980 115.700 -0.566 0.000 2.440 106 S HA -0.150 4.320 4.470 -0.000 0.000 0.238 106 S C 1.884 176.142 174.600 -0.569 0.000 1.010 106 S CA 1.809 59.710 58.200 -0.497 0.000 0.972 106 S CB -0.474 62.633 63.200 -0.156 0.000 0.774 106 S HN 1.018 nan 8.310 nan 0.000 0.501 107 Y N 1.985 121.923 120.300 -0.602 0.000 2.651 107 Y HA -0.045 4.505 4.550 -0.000 0.000 0.296 107 Y C 2.197 177.741 175.900 -0.593 0.000 1.150 107 Y CA 0.876 58.432 58.100 -0.908 0.000 1.348 107 Y CB -1.856 35.530 38.460 -1.790 0.000 0.983 107 Y HN 0.254 nan 8.280 nan 0.000 0.555 108 T N -3.153 110.946 114.554 -0.758 0.000 3.051 108 T HA -0.106 4.244 4.350 -0.000 0.000 0.269 108 T C 0.203 174.771 174.700 -0.219 0.000 1.127 108 T CA 0.163 61.956 62.100 -0.512 0.000 1.107 108 T CB -0.732 67.736 68.868 -0.665 0.000 0.898 108 T HN 0.180 nan 8.240 nan 0.000 0.517 109 F N 2.827 122.691 119.950 -0.142 0.000 2.605 109 F HA 0.475 5.002 4.527 -0.000 0.000 0.352 109 F C 1.422 177.221 175.800 -0.001 0.000 1.236 109 F CA -2.388 55.577 58.000 -0.058 0.000 1.267 109 F CB -0.843 38.144 39.000 -0.022 0.000 1.632 109 F HN 0.045 nan 8.300 nan 0.000 0.639 110 L N -0.041 121.265 121.223 0.139 0.000 1.991 110 L HA -0.288 4.052 4.340 -0.000 0.000 0.221 110 L C 2.074 179.009 176.870 0.108 0.000 1.079 110 L CA 1.799 56.712 54.840 0.122 0.000 0.778 110 L CB -0.747 41.340 42.059 0.048 0.000 0.893 110 L HN 0.289 nan 8.230 nan 0.000 0.437 111 E N 0.024 120.171 120.200 -0.088 0.000 2.033 111 E HA -0.210 4.140 4.350 -0.000 0.000 0.199 111 E C 2.151 178.665 176.600 -0.145 0.000 1.011 111 E CA 2.121 58.308 56.400 -0.356 0.000 0.815 111 E CB -0.445 28.622 29.700 -1.055 0.000 0.755 111 E HN 0.391 nan 8.360 nan 0.000 0.451 112 T N 0.569 115.115 114.554 -0.014 0.000 2.624 112 T HA -0.239 4.111 4.350 -0.000 0.000 0.268 112 T C 1.239 176.115 174.700 0.293 0.000 1.041 112 T CA 1.508 63.674 62.100 0.110 0.000 1.159 112 T CB -0.472 68.424 68.868 0.047 0.000 0.863 112 T HN 0.409 nan 8.240 nan 0.000 0.434 113 W N 2.197 123.577 121.300 0.133 0.000 2.354 113 W HA -0.146 4.514 4.660 -0.000 0.000 0.315 113 W C 2.058 178.650 176.519 0.121 0.000 1.206 113 W CA 1.302 58.740 57.345 0.156 0.000 1.290 113 W CB -0.656 28.883 29.460 0.131 0.000 1.152 113 W HN 0.367 nan 8.180 nan 0.000 0.489 114 N N 0.372 119.213 118.700 0.235 0.000 2.104 114 N HA -0.226 4.514 4.740 -0.000 0.000 0.190 114 N C 1.665 177.183 175.510 0.013 0.000 1.024 114 N CA 1.658 54.749 53.050 0.069 0.000 0.853 114 N CB -0.301 38.237 38.487 0.086 0.000 1.008 114 N HN 0.037 nan 8.380 nan 0.000 0.424 115 I N 1.123 121.748 120.570 0.093 0.000 2.286 115 I HA -0.145 4.025 4.170 -0.000 0.000 0.248 115 I C 2.580 178.709 176.117 0.019 0.000 1.115 115 I CA 1.042 62.415 61.300 0.122 0.000 1.392 115 I CB -1.676 36.494 38.000 0.285 0.000 1.065 115 I HN 0.142 nan 8.210 nan 0.000 0.418 116 G N 0.579 109.394 108.800 0.025 0.000 2.440 116 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.218 116 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.218 116 G C 1.862 176.600 174.900 -0.269 0.000 1.154 116 G CA 0.864 45.847 45.100 -0.195 0.000 0.767 116 G HN 0.280 nan 8.290 nan 0.000 0.552 117 V N 1.401 121.130 119.914 -0.309 0.000 2.358 117 V HA -0.120 4.000 4.120 -0.000 0.000 0.246 117 V C 2.782 178.792 176.094 -0.139 0.000 1.047 117 V CA 1.027 63.170 62.300 -0.261 0.000 1.035 117 V CB -0.264 31.402 31.823 -0.262 0.000 0.658 117 V HN 0.275 nan 8.190 nan 0.000 0.452 118 I N -0.360 120.152 120.570 -0.097 0.000 2.286 118 I HA -0.217 3.953 4.170 -0.000 0.000 0.248 118 I C 2.293 178.366 176.117 -0.073 0.000 1.115 118 I CA 1.741 63.008 61.300 -0.056 0.000 1.392 118 I CB -1.031 36.958 38.000 -0.018 0.000 1.065 118 I HN 0.291 nan 8.210 nan 0.000 0.418 119 L N -0.385 120.769 121.223 -0.115 0.000 2.141 119 L HA -0.193 4.147 4.340 -0.000 0.000 0.209 119 L C 2.478 179.274 176.870 -0.123 0.000 1.094 119 L CA 0.587 55.348 54.840 -0.132 0.000 0.763 119 L CB -0.453 41.476 42.059 -0.216 0.000 0.908 119 L HN 0.209 nan 8.230 nan 0.000 0.437 120 L N -0.209 120.937 121.223 -0.129 0.000 2.005 120 L HA -0.184 4.156 4.340 -0.000 0.000 0.207 120 L C 2.297 179.132 176.870 -0.058 0.000 1.072 120 L CA 1.762 56.541 54.840 -0.101 0.000 0.744 120 L CB -0.490 41.520 42.059 -0.082 0.000 0.895 120 L HN 0.077 nan 8.230 nan 0.000 0.433 121 L N -0.862 120.334 121.223 -0.044 0.000 2.012 121 L HA -0.257 4.083 4.340 -0.000 0.000 0.210 121 L C 2.372 179.234 176.870 -0.013 0.000 1.073 121 L CA 1.984 56.815 54.840 -0.015 0.000 0.748 121 L CB -1.244 40.806 42.059 -0.015 0.000 0.891 121 L HN 0.318 nan 8.230 nan 0.000 0.431 122 T N -0.847 113.682 114.554 -0.041 0.000 2.720 122 T HA -0.208 4.142 4.350 -0.000 0.000 0.268 122 T C 1.870 176.525 174.700 -0.076 0.000 1.037 122 T CA 1.611 63.682 62.100 -0.049 0.000 1.144 122 T CB -0.354 68.479 68.868 -0.057 0.000 0.864 122 T HN 0.275 nan 8.240 nan 0.000 0.444 123 V N 0.714 120.549 119.914 -0.133 0.000 2.667 123 V HA -0.051 4.069 4.120 -0.000 0.000 0.252 123 V C 2.108 178.178 176.094 -0.039 0.000 1.065 123 V CA 1.409 63.561 62.300 -0.246 0.000 1.083 123 V CB -0.565 30.928 31.823 -0.550 0.000 0.692 123 V HN 0.476 nan 8.190 nan 0.000 0.468 124 M N 0.217 119.871 119.600 0.089 0.000 2.077 124 M HA -0.057 4.423 4.480 -0.000 0.000 0.261 124 M C 2.462 178.964 176.300 0.337 0.000 1.070 124 M CA 2.275 57.743 55.300 0.281 0.000 1.125 124 M CB -0.626 32.035 32.600 0.101 0.000 1.339 124 M HN 0.487 nan 8.290 nan 0.000 0.409 125 A N -0.197 122.738 122.820 0.192 0.000 1.908 125 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 125 A C 2.163 179.864 177.584 0.194 0.000 1.181 125 A CA 2.348 54.500 52.037 0.191 0.000 0.627 125 A CB -1.214 17.828 19.000 0.070 0.000 0.818 125 A HN 0.482 nan 8.150 nan 0.000 0.445 126 T N 0.159 114.775 114.554 0.104 0.000 2.674 126 T HA -0.036 4.314 4.350 -0.000 0.000 0.265 126 T C 2.245 177.072 174.700 0.212 0.000 1.039 126 T CA 1.767 63.910 62.100 0.072 0.000 1.150 126 T CB -0.477 68.318 68.868 -0.121 0.000 0.864 126 T HN 0.613 nan 8.240 nan 0.000 0.427 127 A N 0.845 123.801 122.820 0.226 0.000 1.933 127 A HA -0.004 4.316 4.320 -0.000 0.000 0.218 127 A C 2.041 179.846 177.584 0.369 0.000 1.175 127 A CA 1.351 53.573 52.037 0.308 0.000 0.628 127 A CB -0.985 18.221 19.000 0.343 0.000 0.814 127 A HN 0.581 nan 8.150 nan 0.000 0.444 128 F N 0.001 120.107 119.950 0.259 0.000 2.134 128 F HA -0.184 4.343 4.527 -0.000 0.000 0.299 128 F C 2.150 178.010 175.800 0.100 0.000 1.097 128 F CA 2.083 60.154 58.000 0.118 0.000 1.264 128 F CB -0.174 38.855 39.000 0.050 0.000 1.001 128 F HN 0.162 nan 8.300 nan 0.000 0.479 129 M N 0.267 119.742 119.600 -0.208 0.000 2.254 129 M HA -0.036 4.444 4.480 -0.000 0.000 0.265 129 M C 2.456 178.652 176.300 -0.175 0.000 1.066 129 M CA 1.408 56.495 55.300 -0.355 0.000 1.123 129 M CB -0.894 31.555 32.600 -0.252 0.000 1.388 129 M HN 0.353 nan 8.290 nan 0.000 0.425 130 G N -0.774 107.943 108.800 -0.138 0.000 2.446 130 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.217 130 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.217 130 G C 1.389 176.233 174.900 -0.094 0.000 1.168 130 G CA 0.716 45.575 45.100 -0.402 0.000 0.771 130 G HN 0.492 nan 8.290 nan 0.000 0.551 131 Y N 0.731 120.984 120.300 -0.077 0.000 2.403 131 Y HA -0.100 4.449 4.550 -0.000 0.000 0.291 131 Y C 2.704 178.587 175.900 -0.028 0.000 1.143 131 Y CA 0.838 58.918 58.100 -0.032 0.000 1.257 131 Y CB 0.268 38.718 38.460 -0.015 0.000 0.984 131 Y HN 0.077 nan 8.280 nan 0.000 0.550 132 V N 0.015 119.883 119.914 -0.075 0.000 2.591 132 V HA -0.271 3.849 4.120 -0.000 0.000 0.249 132 V C 2.182 178.332 176.094 0.094 0.000 1.053 132 V CA 1.227 63.524 62.300 -0.004 0.000 1.068 132 V CB -0.559 31.354 31.823 0.150 0.000 0.689 132 V HN 0.410 nan 8.190 nan 0.000 0.462 133 L N 0.401 121.629 121.223 0.008 0.000 2.051 133 L HA -0.188 4.152 4.340 -0.000 0.000 0.214 133 L C -0.009 176.921 176.870 0.101 0.000 1.076 133 L CA 1.929 56.761 54.840 -0.013 0.000 0.758 133 L CB -2.171 39.713 42.059 -0.292 0.000 0.890 133 L HN 0.385 nan 8.230 nan 0.000 0.433 134 P HA -0.214 nan 4.420 nan 0.000 0.225 134 P C 0.152 177.646 177.300 0.324 0.000 1.148 134 P CA 0.678 63.845 63.100 0.111 0.000 0.779 134 P CB -0.070 31.599 31.700 -0.052 0.000 0.780 135 W N -0.201 121.102 121.300 0.005 0.000 5.820 135 W HA -0.144 4.516 4.660 -0.000 0.000 0.415 135 W C -0.114 176.453 176.519 0.079 0.000 1.627 135 W CA -0.061 57.299 57.345 0.025 0.000 0.991 135 W CB -1.277 28.204 29.460 0.037 0.000 2.842 135 W HN -0.042 nan 8.180 nan 0.000 1.416 136 G N 1.008 109.817 108.800 0.015 0.000 2.521 136 G HA2 0.263 4.223 3.960 -0.000 0.000 0.323 136 G HA3 0.263 4.223 3.960 -0.000 0.000 0.323 136 G C 0.519 175.332 174.900 -0.145 0.000 1.211 136 G CA -0.099 44.991 45.100 -0.017 0.000 0.979 136 G HN 0.209 nan 8.290 nan 0.000 0.490 137 Q N -0.620 119.143 119.800 -0.062 0.000 2.077 137 Q HA -0.129 4.211 4.340 -0.000 0.000 0.206 137 Q C 2.641 178.743 176.000 0.170 0.000 0.989 137 Q CA 1.368 57.204 55.803 0.055 0.000 0.853 137 Q CB -0.231 28.560 28.738 0.089 0.000 0.907 137 Q HN 0.459 nan 8.270 nan 0.000 0.418 138 M N -0.221 119.441 119.600 0.103 0.000 2.319 138 M HA -0.033 4.447 4.480 -0.000 0.000 0.265 138 M C 2.127 178.468 176.300 0.068 0.000 1.068 138 M CA 0.923 56.329 55.300 0.178 0.000 1.118 138 M CB -0.909 31.860 32.600 0.282 0.000 1.395 138 M HN -0.003 nan 8.290 nan 0.000 0.435 139 S N 0.450 116.042 115.700 -0.179 0.000 2.368 139 S HA -0.123 4.347 4.470 -0.000 0.000 0.225 139 S C 1.725 176.208 174.600 -0.196 0.000 1.030 139 S CA 1.115 59.150 58.200 -0.275 0.000 0.999 139 S CB -0.425 62.604 63.200 -0.285 0.000 0.844 139 S HN 0.487 nan 8.310 nan 0.000 0.459 140 F N 0.507 120.151 119.950 -0.510 0.000 2.149 140 F HA 0.046 4.573 4.527 -0.000 0.000 0.294 140 F C 1.683 177.172 175.800 -0.518 0.000 1.095 140 F CA 0.934 58.459 58.000 -0.791 0.000 1.276 140 F CB -0.368 37.857 39.000 -1.291 0.000 1.023 140 F HN 0.194 nan 8.300 nan 0.000 0.480 141 W N 0.291 121.490 121.300 -0.170 0.000 2.476 141 W HA 0.125 4.785 4.660 -0.000 0.000 0.281 141 W C 2.607 179.067 176.519 -0.098 0.000 1.230 141 W CA 0.943 58.195 57.345 -0.155 0.000 1.287 141 W CB -0.958 28.521 29.460 0.032 0.000 1.108 141 W HN 0.104 nan 8.180 nan 0.000 0.567 142 G N 0.291 109.189 108.800 0.164 0.000 2.408 142 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.217 142 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.217 142 G C 1.645 176.663 174.900 0.196 0.000 1.150 142 G CA 1.079 46.270 45.100 0.153 0.000 0.776 142 G HN 0.263 nan 8.290 nan 0.000 0.542 143 A N 0.253 123.114 122.820 0.069 0.000 1.969 143 A HA 0.048 4.368 4.320 -0.000 0.000 0.218 143 A C 2.503 180.163 177.584 0.126 0.000 1.169 143 A CA 2.320 54.435 52.037 0.132 0.000 0.635 143 A CB -0.662 18.276 19.000 -0.103 0.000 0.810 143 A HN 0.294 nan 8.150 nan 0.000 0.445 144 T N -0.490 113.983 114.554 -0.136 0.000 2.668 144 T HA -0.083 4.267 4.350 -0.000 0.000 0.258 144 T C 1.926 176.755 174.700 0.215 0.000 1.051 144 T CA 1.473 63.553 62.100 -0.034 0.000 1.155 144 T CB -0.592 68.110 68.868 -0.276 0.000 0.864 144 T HN 0.103 nan 8.240 nan 0.000 0.413 145 V N 1.660 121.689 119.914 0.192 0.000 2.250 145 V HA -0.209 3.911 4.120 -0.000 0.000 0.250 145 V C 2.421 178.601 176.094 0.143 0.000 1.060 145 V CA 1.776 64.186 62.300 0.182 0.000 1.030 145 V CB -0.683 31.236 31.823 0.160 0.000 0.643 145 V HN 0.456 nan 8.190 nan 0.000 0.445 146 I N -0.478 120.162 120.570 0.117 0.000 2.202 146 I HA -0.199 3.971 4.170 -0.000 0.000 0.242 146 I C 2.522 178.655 176.117 0.027 0.000 1.091 146 I CA 1.851 63.151 61.300 -0.000 0.000 1.368 146 I CB -0.752 37.136 38.000 -0.187 0.000 1.058 146 I HN 0.304 nan 8.210 nan 0.000 0.410 147 T N 0.508 115.182 114.554 0.201 0.000 2.788 147 T HA -0.152 4.198 4.350 -0.000 0.000 0.268 147 T C 1.744 176.452 174.700 0.014 0.000 1.044 147 T CA 1.224 63.443 62.100 0.198 0.000 1.139 147 T CB -0.373 68.781 68.868 0.477 0.000 0.867 147 T HN 0.246 nan 8.240 nan 0.000 0.454 148 N N 1.093 119.848 118.700 0.092 0.000 2.430 148 N HA 0.018 4.758 4.740 -0.000 0.000 0.186 148 N C 1.691 177.190 175.510 -0.018 0.000 1.032 148 N CA 0.490 53.544 53.050 0.006 0.000 0.893 148 N CB -0.402 38.191 38.487 0.176 0.000 0.957 148 N HN 0.419 nan 8.380 nan 0.000 0.442 149 L N 0.404 121.627 121.223 -0.000 0.000 2.042 149 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 149 L C 1.969 178.823 176.870 -0.026 0.000 1.076 149 L CA 0.875 55.712 54.840 -0.005 0.000 0.749 149 L CB -0.475 41.580 42.059 -0.006 0.000 0.893 149 L HN 0.158 nan 8.230 nan 0.000 0.432 150 L N -0.272 120.920 121.223 -0.052 0.000 2.349 150 L HA -0.176 4.164 4.340 -0.000 0.000 0.220 150 L C 2.539 179.374 176.870 -0.058 0.000 1.130 150 L CA 1.118 55.925 54.840 -0.054 0.000 0.791 150 L CB -0.823 41.197 42.059 -0.065 0.000 0.918 150 L HN 0.389 nan 8.230 nan 0.000 0.444 151 S N -0.387 115.272 115.700 -0.070 0.000 2.603 151 S HA 0.060 4.530 4.470 -0.000 0.000 0.229 151 S C 1.856 176.447 174.600 -0.014 0.000 0.972 151 S CA 0.454 58.623 58.200 -0.051 0.000 0.935 151 S CB 0.007 63.175 63.200 -0.054 0.000 0.769 151 S HN 0.355 nan 8.310 nan 0.000 0.536 152 A N 1.180 123.994 122.820 -0.009 0.000 2.132 152 A HA 0.419 4.739 4.320 -0.000 0.000 0.213 152 A C 0.868 178.455 177.584 0.005 0.000 1.154 152 A CA -0.158 51.881 52.037 0.002 0.000 0.753 152 A CB -0.426 18.575 19.000 0.002 0.000 0.826 152 A HN 0.612 nan 8.150 nan 0.000 0.469 153 I N 1.955 122.525 120.570 0.001 0.000 2.587 153 I HA 0.096 4.266 4.170 -0.000 0.000 0.284 153 I C -2.320 173.812 176.117 0.025 0.000 1.134 153 I CA -1.661 59.645 61.300 0.009 0.000 1.410 153 I CB 0.766 38.766 38.000 -0.000 0.000 1.392 153 I HN 0.061 nan 8.210 nan 0.000 0.545 154 P HA -0.039 nan 4.420 nan 0.000 0.271 154 P C 0.003 177.399 177.300 0.160 0.000 1.220 154 P CA 0.207 63.355 63.100 0.080 0.000 0.768 154 P CB 0.218 31.955 31.700 0.062 0.000 0.848 155 Y N 2.487 122.783 120.300 -0.006 0.000 4.885 155 Y HA -0.312 4.238 4.550 -0.000 0.000 0.251 155 Y C 0.543 176.437 175.900 -0.010 0.000 0.969 155 Y CA 1.693 59.789 58.100 -0.006 0.000 1.930 155 Y CB -2.019 36.437 38.460 -0.008 0.000 1.403 155 Y HN 0.406 nan 8.280 nan 0.000 0.507 156 I N -2.292 118.251 120.570 -0.044 0.000 4.197 156 I HA 0.209 4.379 4.170 -0.000 0.000 0.307 156 I C 2.411 178.480 176.117 -0.080 0.000 1.236 156 I CA 0.613 61.844 61.300 -0.116 0.000 1.321 156 I CB -0.565 37.399 38.000 -0.060 0.000 1.309 156 I HN 0.171 nan 8.210 nan 0.000 0.450 157 G N 1.520 110.297 108.800 -0.039 0.000 2.529 157 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.219 157 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.219 157 G C 1.579 176.448 174.900 -0.051 0.000 1.177 157 G CA 2.111 47.188 45.100 -0.039 0.000 0.773 157 G HN 0.270 nan 8.290 nan 0.000 0.573 158 T N 1.083 115.618 114.554 -0.031 0.000 2.622 158 T HA -0.171 4.179 4.350 -0.000 0.000 0.266 158 T C 2.268 176.960 174.700 -0.013 0.000 1.047 158 T CA 1.634 63.727 62.100 -0.012 0.000 1.159 158 T CB -0.510 68.374 68.868 0.027 0.000 0.863 158 T HN 0.483 nan 8.240 nan 0.000 0.422 159 N N 0.892 119.579 118.700 -0.021 0.000 2.094 159 N HA -0.050 4.690 4.740 -0.000 0.000 0.191 159 N C 1.859 177.383 175.510 0.023 0.000 1.023 159 N CA 0.907 53.953 53.050 -0.007 0.000 0.857 159 N CB -0.372 38.076 38.487 -0.064 0.000 1.013 159 N HN 0.229 nan 8.380 nan 0.000 0.426 160 L N 0.389 121.604 121.223 -0.013 0.000 1.989 160 L HA -0.190 4.150 4.340 -0.000 0.000 0.211 160 L C 2.118 179.004 176.870 0.027 0.000 1.071 160 L CA 1.190 56.049 54.840 0.032 0.000 0.749 160 L CB -0.494 41.556 42.059 -0.016 0.000 0.890 160 L HN 0.124 nan 8.230 nan 0.000 0.431 161 V N -0.262 119.568 119.914 -0.140 0.000 2.343 161 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 161 V C 2.271 178.131 176.094 -0.390 0.000 1.051 161 V CA 1.816 63.859 62.300 -0.428 0.000 1.036 161 V CB -0.521 30.906 31.823 -0.659 0.000 0.654 161 V HN 0.476 nan 8.190 nan 0.000 0.451 162 E N -1.427 118.711 120.200 -0.104 0.000 2.204 162 E HA -0.239 4.111 4.350 -0.000 0.000 0.194 162 E C 1.893 178.566 176.600 0.123 0.000 0.989 162 E CA 1.270 57.711 56.400 0.067 0.000 0.824 162 E CB -0.166 29.572 29.700 0.064 0.000 0.756 162 E HN 0.776 nan 8.360 nan 0.000 0.477 163 W N 1.856 123.135 121.300 -0.035 0.000 2.378 163 W HA -0.125 4.535 4.660 -0.000 0.000 0.313 163 W C 2.079 178.637 176.519 0.064 0.000 1.197 163 W CA 1.602 58.949 57.345 0.004 0.000 1.304 163 W CB -0.211 29.244 29.460 -0.009 0.000 1.148 163 W HN 0.058 nan 8.180 nan 0.000 0.494 164 I N -1.542 119.074 120.570 0.077 0.000 2.546 164 I HA -0.148 4.022 4.170 -0.000 0.000 0.255 164 I C 1.881 178.080 176.117 0.137 0.000 1.163 164 I CA 1.259 62.545 61.300 -0.023 0.000 1.457 164 I CB -0.745 37.329 38.000 0.122 0.000 1.092 164 I HN -0.037 nan 8.210 nan 0.000 0.434 165 W N 2.164 123.458 121.300 -0.011 0.000 2.381 165 W HA 0.131 4.791 4.660 -0.000 0.000 0.301 165 W C 2.318 178.773 176.519 -0.106 0.000 1.205 165 W CA 2.041 59.356 57.345 -0.050 0.000 1.285 165 W CB -0.952 28.494 29.460 -0.024 0.000 1.133 165 W HN 0.522 nan 8.180 nan 0.000 0.521 166 G N -1.313 107.551 108.800 0.106 0.000 2.268 166 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.240 166 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.240 166 G C 0.697 175.563 174.900 -0.057 0.000 1.010 166 G CA 0.545 45.629 45.100 -0.027 0.000 0.618 166 G HN 0.687 nan 8.290 nan 0.000 0.516 167 G N -1.443 107.340 108.800 -0.028 0.000 3.214 167 G HA2 0.580 4.540 3.960 -0.000 0.000 0.188 167 G HA3 0.580 4.540 3.960 -0.000 0.000 0.188 167 G C -0.065 174.747 174.900 -0.147 0.000 1.126 167 G CA 0.132 45.160 45.100 -0.120 0.000 0.796 167 G HN 0.280 nan 8.290 nan 0.000 0.631 168 F N 0.675 120.689 119.950 0.106 0.000 2.682 168 F HA 0.529 5.055 4.527 -0.000 0.000 0.308 168 F C 1.017 176.789 175.800 -0.046 0.000 1.093 168 F CA -0.189 57.921 58.000 0.183 0.000 1.244 168 F CB 1.026 40.099 39.000 0.121 0.000 1.052 168 F HN 0.202 nan 8.300 nan 0.000 0.573 169 S N -1.297 114.259 115.700 -0.240 0.000 2.880 169 S HA 0.505 4.975 4.470 -0.000 0.000 0.308 169 S C -0.871 173.102 174.600 -1.046 0.000 1.195 169 S CA -0.602 57.115 58.200 -0.806 0.000 0.866 169 S CB 1.636 64.655 63.200 -0.301 0.000 1.254 169 S HN -0.362 nan 8.310 nan 0.000 0.571 170 V N 2.606 122.023 119.914 -0.828 0.000 2.258 170 V HA 0.313 4.432 4.120 -0.000 0.000 0.258 170 V C -0.027 176.090 176.094 0.038 0.000 1.121 170 V CA -0.004 61.985 62.300 -0.518 0.000 0.942 170 V CB 0.039 31.498 31.823 -0.606 0.000 1.170 170 V HN 0.678 nan 8.190 nan 0.000 0.487 171 D N 2.503 122.868 120.400 -0.058 0.000 2.463 171 D HA 0.282 4.922 4.640 -0.000 0.000 0.247 171 D C 1.555 177.782 176.300 -0.122 0.000 1.240 171 D CA -0.209 53.797 54.000 0.010 0.000 1.151 171 D CB 0.860 41.638 40.800 -0.037 0.000 1.180 171 D HN 0.179 nan 8.370 nan 0.000 0.532 172 K N -0.168 120.144 120.400 -0.148 0.000 2.044 172 K HA 0.122 4.442 4.320 -0.000 0.000 0.204 172 K C 1.922 178.398 176.600 -0.207 0.000 1.049 172 K CA 0.894 57.051 56.287 -0.218 0.000 0.945 172 K CB -0.173 32.235 32.500 -0.154 0.000 0.724 172 K HN 0.239 nan 8.250 nan 0.000 0.440 173 A N 1.354 124.089 122.820 -0.142 0.000 1.908 173 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 173 A C 2.201 179.710 177.584 -0.124 0.000 1.181 173 A CA 2.209 54.177 52.037 -0.114 0.000 0.627 173 A CB -1.104 17.845 19.000 -0.085 0.000 0.818 173 A HN 0.297 nan 8.150 nan 0.000 0.445 174 T N 0.178 114.629 114.554 -0.171 0.000 2.746 174 T HA -0.097 4.253 4.350 -0.000 0.000 0.267 174 T C 1.847 176.358 174.700 -0.315 0.000 1.039 174 T CA 1.281 63.223 62.100 -0.263 0.000 1.142 174 T CB -0.345 68.315 68.868 -0.347 0.000 0.866 174 T HN 0.343 nan 8.240 nan 0.000 0.444 175 L N 1.134 122.145 121.223 -0.353 0.000 1.994 175 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 175 L C 3.154 179.989 176.870 -0.059 0.000 1.071 175 L CA 2.008 56.664 54.840 -0.307 0.000 0.745 175 L CB -0.875 40.802 42.059 -0.636 0.000 0.892 175 L HN 0.490 nan 8.230 nan 0.000 0.431 176 T N -2.590 111.916 114.554 -0.081 0.000 2.746 176 T HA -0.298 4.052 4.350 -0.000 0.000 0.267 176 T C 1.929 176.681 174.700 0.088 0.000 1.039 176 T CA 1.378 63.499 62.100 0.035 0.000 1.142 176 T CB -0.375 68.473 68.868 -0.034 0.000 0.866 176 T HN 0.279 nan 8.240 nan 0.000 0.444 177 R N 0.243 120.767 120.500 0.040 0.000 2.088 177 R HA -0.022 4.318 4.340 -0.000 0.000 0.232 177 R C 2.350 178.792 176.300 0.236 0.000 1.136 177 R CA 1.864 57.997 56.100 0.055 0.000 0.926 177 R CB -0.723 29.670 30.300 0.155 0.000 0.837 177 R HN 0.519 nan 8.270 nan 0.000 0.429 178 F N -0.128 119.909 119.950 0.145 0.000 2.192 178 F HA -0.283 4.244 4.527 -0.000 0.000 0.301 178 F C 2.207 178.154 175.800 0.245 0.000 1.079 178 F CA 0.755 58.892 58.000 0.228 0.000 1.303 178 F CB -0.237 38.840 39.000 0.129 0.000 1.024 178 F HN 0.194 nan 8.300 nan 0.000 0.494 179 F N 0.532 120.607 119.950 0.208 0.000 2.075 179 F HA -0.241 4.285 4.527 -0.000 0.000 0.297 179 F C 2.500 178.404 175.800 0.173 0.000 1.113 179 F CA 1.156 59.260 58.000 0.172 0.000 1.218 179 F CB -0.361 38.743 39.000 0.174 0.000 0.984 179 F HN -0.084 nan 8.300 nan 0.000 0.472 180 A N 0.604 123.397 122.820 -0.045 0.000 1.873 180 A HA -0.259 4.061 4.320 -0.000 0.000 0.218 180 A C 1.904 179.367 177.584 -0.201 0.000 1.193 180 A CA 2.100 53.972 52.037 -0.275 0.000 0.629 180 A CB -1.562 17.190 19.000 -0.414 0.000 0.826 180 A HN 0.474 nan 8.150 nan 0.000 0.447 181 F N -1.034 118.968 119.950 0.088 0.000 2.234 181 F HA -0.072 4.455 4.527 -0.000 0.000 0.299 181 F C 2.185 178.020 175.800 0.058 0.000 1.087 181 F CA 1.436 59.472 58.000 0.060 0.000 1.340 181 F CB -1.046 37.976 39.000 0.036 0.000 1.031 181 F HN 0.485 nan 8.300 nan 0.000 0.500 182 H N -1.486 117.663 119.070 0.132 0.000 2.524 182 H HA -0.112 4.444 4.556 -0.000 0.000 0.282 182 H C 1.913 177.216 175.328 -0.040 0.000 1.016 182 H CA 1.133 57.207 56.048 0.044 0.000 1.270 182 H CB -0.175 29.638 29.762 0.085 0.000 1.394 182 H HN 0.144 nan 8.280 nan 0.000 0.568 183 F N -0.579 119.274 119.950 -0.162 0.000 2.220 183 F HA 0.031 4.558 4.527 -0.000 0.000 0.290 183 F C 2.093 177.793 175.800 -0.167 0.000 1.080 183 F CA 0.482 58.342 58.000 -0.233 0.000 1.318 183 F CB -0.432 38.374 39.000 -0.323 0.000 1.063 183 F HN 0.246 nan 8.300 nan 0.000 0.498 184 I N -0.141 120.555 120.570 0.210 0.000 2.439 184 I HA -0.169 4.001 4.170 -0.000 0.000 0.251 184 I C 2.033 178.198 176.117 0.080 0.000 1.139 184 I CA 1.269 62.701 61.300 0.220 0.000 1.438 184 I CB -0.552 37.561 38.000 0.188 0.000 1.085 184 I HN 0.104 nan 8.210 nan 0.000 0.427 185 L N 0.965 122.179 121.223 -0.016 0.000 2.012 185 L HA -0.144 4.196 4.340 -0.000 0.000 0.210 185 L C -0.259 176.493 176.870 -0.196 0.000 1.073 185 L CA 1.654 56.446 54.840 -0.080 0.000 0.748 185 L CB -1.951 40.075 42.059 -0.054 0.000 0.891 185 L HN 0.209 nan 8.230 nan 0.000 0.431 186 P HA -0.160 nan 4.420 nan 0.000 0.222 186 P C 1.300 178.383 177.300 -0.361 0.000 1.147 186 P CA 1.448 64.287 63.100 -0.435 0.000 0.790 186 P CB -0.022 31.322 31.700 -0.592 0.000 0.780 187 F N -1.373 118.588 119.950 0.018 0.000 2.163 187 F HA -0.053 4.474 4.527 -0.000 0.000 0.297 187 F C 2.232 178.048 175.800 0.027 0.000 1.094 187 F CA 0.534 58.554 58.000 0.033 0.000 1.290 187 F CB -1.021 38.009 39.000 0.050 0.000 1.017 187 F HN -0.218 nan 8.300 nan 0.000 0.483 188 I N 0.512 121.170 120.570 0.147 0.000 2.163 188 I HA -0.320 3.850 4.170 -0.000 0.000 0.243 188 I C 2.319 178.468 176.117 0.052 0.000 1.085 188 I CA 1.434 62.790 61.300 0.094 0.000 1.347 188 I CB -0.482 37.561 38.000 0.071 0.000 1.044 188 I HN 0.089 nan 8.210 nan 0.000 0.408 189 I N -0.315 120.255 120.570 0.000 0.000 2.185 189 I HA -0.411 3.759 4.170 -0.000 0.000 0.246 189 I C 2.617 178.749 176.117 0.025 0.000 1.088 189 I CA 1.768 63.059 61.300 -0.016 0.000 1.347 189 I CB -0.316 37.643 38.000 -0.069 0.000 1.041 189 I HN 0.314 nan 8.210 nan 0.000 0.415 190 M N 0.235 119.868 119.600 0.055 0.000 2.059 190 M HA -0.232 4.248 4.480 -0.000 0.000 0.259 190 M C 2.515 178.867 176.300 0.088 0.000 1.072 190 M CA 2.351 57.703 55.300 0.087 0.000 1.117 190 M CB -0.278 32.402 32.600 0.133 0.000 1.320 190 M HN 0.312 nan 8.290 nan 0.000 0.408 191 A N 0.406 123.282 122.820 0.094 0.000 1.927 191 A HA -0.242 4.078 4.320 -0.000 0.000 0.220 191 A C 1.998 179.626 177.584 0.073 0.000 1.185 191 A CA 2.136 54.220 52.037 0.078 0.000 0.639 191 A CB -1.302 17.742 19.000 0.074 0.000 0.820 191 A HN 0.619 nan 8.150 nan 0.000 0.451 192 I N -0.560 120.051 120.570 0.068 0.000 2.286 192 I HA -0.263 3.907 4.170 -0.000 0.000 0.248 192 I C 2.902 179.076 176.117 0.094 0.000 1.115 192 I CA 0.985 62.329 61.300 0.073 0.000 1.392 192 I CB -0.340 37.687 38.000 0.045 0.000 1.065 192 I HN 0.376 nan 8.210 nan 0.000 0.418 193 A N 0.636 123.502 122.820 0.077 0.000 1.969 193 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 193 A C 2.347 180.025 177.584 0.156 0.000 1.169 193 A CA 1.327 53.430 52.037 0.110 0.000 0.635 193 A CB -0.466 18.579 19.000 0.074 0.000 0.810 193 A HN 0.338 nan 8.150 nan 0.000 0.445 194 M N -0.733 118.934 119.600 0.112 0.000 2.099 194 M HA -0.121 4.359 4.480 -0.000 0.000 0.262 194 M C 2.043 178.384 176.300 0.068 0.000 1.067 194 M CA 1.435 56.789 55.300 0.089 0.000 1.124 194 M CB -0.532 32.107 32.600 0.064 0.000 1.353 194 M HN 0.222 nan 8.290 nan 0.000 0.410 195 V N -0.481 119.477 119.914 0.073 0.000 2.490 195 V HA -0.269 3.851 4.120 -0.000 0.000 0.250 195 V C 2.239 178.426 176.094 0.155 0.000 1.061 195 V CA 2.132 64.457 62.300 0.042 0.000 1.064 195 V CB -1.120 30.759 31.823 0.093 0.000 0.670 195 V HN 0.452 nan 8.190 nan 0.000 0.461 196 H N -0.068 119.064 119.070 0.104 0.000 2.290 196 H HA -0.166 4.390 4.556 -0.000 0.000 0.298 196 H C 1.941 177.308 175.328 0.066 0.000 1.087 196 H CA 1.990 58.115 56.048 0.129 0.000 1.291 196 H CB -0.216 29.604 29.762 0.095 0.000 1.369 196 H HN 0.228 nan 8.280 nan 0.000 0.492 197 L N -0.179 121.083 121.223 0.065 0.000 2.141 197 L HA -0.084 4.256 4.340 -0.000 0.000 0.209 197 L C 2.288 179.093 176.870 -0.108 0.000 1.094 197 L CA 1.059 55.840 54.840 -0.099 0.000 0.763 197 L CB -0.964 41.120 42.059 0.041 0.000 0.908 197 L HN 0.373 nan 8.230 nan 0.000 0.437 198 L N -1.492 119.698 121.223 -0.055 0.000 2.017 198 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 198 L C 2.265 179.002 176.870 -0.222 0.000 1.073 198 L CA 1.905 56.658 54.840 -0.145 0.000 0.745 198 L CB -0.887 41.005 42.059 -0.279 0.000 0.894 198 L HN 0.139 nan 8.230 nan 0.000 0.432 199 F N -1.062 118.839 119.950 -0.082 0.000 2.186 199 F HA -0.134 4.393 4.527 -0.000 0.000 0.299 199 F C 2.286 177.939 175.800 -0.244 0.000 1.090 199 F CA 1.294 59.220 58.000 -0.123 0.000 1.307 199 F CB -0.874 38.077 39.000 -0.080 0.000 1.019 199 F HN 0.132 nan 8.300 nan 0.000 0.489 200 L N -0.291 120.832 121.223 -0.166 0.000 2.046 200 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 200 L C 2.170 178.809 176.870 -0.385 0.000 1.077 200 L CA 2.049 56.659 54.840 -0.382 0.000 0.747 200 L CB -0.904 40.886 42.059 -0.450 0.000 0.896 200 L HN 0.170 nan 8.230 nan 0.000 0.432 201 H N -1.432 117.539 119.070 -0.166 0.000 2.489 201 H HA -0.144 4.412 4.556 -0.000 0.000 0.293 201 H C 1.961 177.206 175.328 -0.139 0.000 1.066 201 H CA 1.025 56.980 56.048 -0.156 0.000 1.305 201 H CB 0.178 29.840 29.762 -0.167 0.000 1.386 201 H HN 0.436 nan 8.280 nan 0.000 0.551 202 E N 0.187 120.358 120.200 -0.049 0.000 2.265 202 E HA -0.118 4.232 4.350 -0.000 0.000 0.196 202 E C 1.797 178.346 176.600 -0.086 0.000 0.996 202 E CA 1.613 57.986 56.400 -0.046 0.000 0.832 202 E CB 0.242 29.938 29.700 -0.006 0.000 0.756 202 E HN 0.571 nan 8.360 nan 0.000 0.491 203 T N -4.623 109.816 114.554 -0.191 0.000 2.986 203 T HA 0.445 4.795 4.350 -0.000 0.000 0.264 203 T C 0.811 175.449 174.700 -0.104 0.000 0.964 203 T CA 0.146 62.142 62.100 -0.173 0.000 0.895 203 T CB 0.539 69.214 68.868 -0.322 0.000 1.163 203 T HN 0.309 nan 8.240 nan 0.000 0.517 204 G N 1.294 110.023 108.800 -0.118 0.000 2.795 204 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.664 204 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.664 204 G C -0.383 174.531 174.900 0.023 0.000 1.381 204 G CA -0.458 44.635 45.100 -0.012 0.000 0.853 204 G HN 0.603 nan 8.290 nan 0.000 0.545 205 S N -0.380 115.389 115.700 0.116 0.000 2.603 205 S HA 0.404 4.874 4.470 -0.000 0.000 0.268 205 S C 1.020 175.808 174.600 0.313 0.000 1.317 205 S CA 0.066 58.420 58.200 0.257 0.000 1.012 205 S CB 1.035 64.375 63.200 0.233 0.000 0.926 205 S HN 0.830 nan 8.310 nan 0.000 0.539 206 N N 0.532 119.506 118.700 0.456 0.000 2.418 206 N HA 0.306 5.046 4.740 -0.000 0.000 0.283 206 N C -0.623 174.994 175.510 0.178 0.000 1.267 206 N CA -0.498 52.729 53.050 0.295 0.000 0.975 206 N CB 0.458 39.075 38.487 0.216 0.000 1.167 206 N HN 0.794 nan 8.380 nan 0.000 0.581 207 N N -1.732 116.988 118.700 0.034 0.000 2.732 207 N HA 0.386 5.126 4.740 -0.000 0.000 0.259 207 N C -2.692 172.689 175.510 -0.215 0.000 1.402 207 N CA -1.145 51.672 53.050 -0.388 0.000 0.829 207 N CB 1.565 39.841 38.487 -0.352 0.000 1.495 207 N HN 0.142 nan 8.380 nan 0.000 0.511 208 P HA -0.189 nan 4.420 nan 0.000 0.217 208 P C 0.849 178.187 177.300 0.063 0.000 1.148 208 P CA 2.162 65.138 63.100 -0.206 0.000 0.834 208 P CB -0.062 31.549 31.700 -0.148 0.000 0.783 209 T N -5.911 108.636 114.554 -0.011 0.000 3.067 209 T HA 0.194 4.544 4.350 -0.000 0.000 0.261 209 T C 1.725 176.468 174.700 0.071 0.000 1.110 209 T CA 0.691 62.787 62.100 -0.007 0.000 1.113 209 T CB -1.061 67.891 68.868 0.139 0.000 0.917 209 T HN 0.221 nan 8.240 nan 0.000 0.499 210 G N 1.241 110.085 108.800 0.073 0.000 2.175 210 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.265 210 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.265 210 G C 0.759 175.697 174.900 0.063 0.000 0.979 210 G CA 0.591 45.722 45.100 0.053 0.000 0.663 210 G HN 0.577 nan 8.290 nan 0.000 0.533 211 I N -0.595 120.037 120.570 0.104 0.000 2.130 211 I HA 0.224 4.394 4.170 -0.000 0.000 0.232 211 I C 1.336 177.488 176.117 0.058 0.000 1.064 211 I CA 1.680 63.043 61.300 0.105 0.000 1.338 211 I CB -0.132 37.953 38.000 0.142 0.000 1.084 211 I HN 0.423 nan 8.210 nan 0.000 0.404 212 S N -0.933 114.796 115.700 0.048 0.000 2.928 212 S HA 0.023 4.493 4.470 -0.000 0.000 0.282 212 S C 0.040 174.660 174.600 0.033 0.000 0.673 212 S CA -0.127 58.097 58.200 0.040 0.000 0.701 212 S CB 0.134 63.357 63.200 0.039 0.000 0.900 212 S HN 0.319 nan 8.310 nan 0.000 0.587 213 S N 2.207 117.925 115.700 0.030 0.000 2.593 213 S HA 0.223 4.693 4.470 -0.000 0.000 0.236 213 S C 0.689 175.304 174.600 0.025 0.000 0.991 213 S CA -0.226 57.985 58.200 0.019 0.000 0.963 213 S CB 0.228 63.428 63.200 0.000 0.000 0.865 213 S HN 0.618 nan 8.310 nan 0.000 0.488 214 D N 2.121 122.540 120.400 0.031 0.000 2.265 214 D HA -0.045 4.595 4.640 -0.000 0.000 0.208 214 D C 1.626 177.941 176.300 0.025 0.000 0.977 214 D CA 0.562 54.581 54.000 0.031 0.000 0.871 214 D CB -0.144 40.674 40.800 0.031 0.000 0.925 214 D HN 0.303 nan 8.370 nan 0.000 0.485 215 V N 0.071 119.997 119.914 0.021 0.000 3.217 215 V HA -0.089 4.031 4.120 -0.000 0.000 0.264 215 V C 0.264 176.364 176.094 0.011 0.000 1.135 215 V CA 0.909 63.218 62.300 0.016 0.000 1.142 215 V CB 0.048 31.881 31.823 0.016 0.000 0.754 215 V HN 0.047 nan 8.190 nan 0.000 0.484 216 D N 0.206 120.612 120.400 0.009 0.000 2.823 216 D HA 0.185 4.825 4.640 -0.000 0.000 0.255 216 D C -0.378 175.923 176.300 0.002 0.000 1.257 216 D CA -0.294 53.705 54.000 -0.002 0.000 0.803 216 D CB 0.311 41.102 40.800 -0.015 0.000 1.384 216 D HN 0.013 nan 8.370 nan 0.000 0.541 217 K N 1.242 121.654 120.400 0.020 0.000 2.118 217 K HA 0.620 4.940 4.320 -0.000 0.000 0.254 217 K C 0.432 177.062 176.600 0.050 0.000 0.961 217 K CA -0.753 55.561 56.287 0.045 0.000 0.876 217 K CB 2.031 34.569 32.500 0.063 0.000 1.077 217 K HN 0.505 nan 8.250 nan 0.000 0.440 218 I N -1.422 119.199 120.570 0.085 0.000 2.785 218 I HA 0.522 4.692 4.170 -0.000 0.000 0.302 218 I C -2.622 173.631 176.117 0.226 0.000 1.069 218 I CA -2.837 58.530 61.300 0.111 0.000 1.045 218 I CB 2.472 40.448 38.000 -0.040 0.000 1.236 218 I HN 0.233 nan 8.210 nan 0.000 0.429 219 P HA 0.023 nan 4.420 nan 0.000 0.271 219 P C 0.210 177.721 177.300 0.352 0.000 1.216 219 P CA 0.092 63.352 63.100 0.267 0.000 0.776 219 P CB 0.680 32.499 31.700 0.198 0.000 0.881 220 F N 1.846 121.955 119.950 0.265 0.000 2.408 220 F HA -0.186 4.341 4.527 -0.000 0.000 0.300 220 F C 2.047 178.032 175.800 0.308 0.000 1.090 220 F CA 1.427 59.636 58.000 0.348 0.000 1.427 220 F CB -0.374 38.806 39.000 0.299 0.000 1.070 220 F HN 0.448 nan 8.300 nan 0.000 0.549 221 H N 0.232 119.421 119.070 0.199 0.000 3.457 221 H HA 0.144 4.700 4.556 -0.000 0.000 0.260 221 H C -0.996 174.226 175.328 -0.177 0.000 1.329 221 H CA 0.300 56.386 56.048 0.063 0.000 1.671 221 H CB -1.361 28.464 29.762 0.104 0.000 1.577 221 H HN -0.209 nan 8.280 nan 0.000 0.884 222 P HA -0.293 nan 4.420 nan 0.000 0.219 222 P C 1.219 178.164 177.300 -0.593 0.000 1.159 222 P CA 2.360 64.913 63.100 -0.912 0.000 0.944 222 P CB -0.494 30.638 31.700 -0.946 0.000 0.792 223 Y N -1.839 118.220 120.300 -0.401 0.000 2.003 223 Y HA -0.243 4.307 4.550 -0.000 0.000 0.261 223 Y C 2.580 178.032 175.900 -0.747 0.000 1.211 223 Y CA 1.668 59.420 58.100 -0.580 0.000 1.098 223 Y CB -2.115 35.933 38.460 -0.686 0.000 0.925 223 Y HN 0.088 nan 8.280 nan 0.000 0.498 224 Y N -1.158 118.923 120.300 -0.367 0.000 2.449 224 Y HA 0.054 4.604 4.550 -0.000 0.000 0.254 224 Y C 2.357 177.884 175.900 -0.622 0.000 1.140 224 Y CA 0.492 58.197 58.100 -0.657 0.000 1.272 224 Y CB -0.739 37.067 38.460 -1.090 0.000 1.114 224 Y HN 0.250 nan 8.280 nan 0.000 0.525 225 T N -1.769 112.617 114.554 -0.281 0.000 2.732 225 T HA -0.134 4.215 4.350 -0.000 0.000 0.261 225 T C 1.954 176.664 174.700 0.017 0.000 1.040 225 T CA 0.904 63.038 62.100 0.056 0.000 1.145 225 T CB -0.467 68.561 68.868 0.267 0.000 0.866 225 T HN 0.182 nan 8.240 nan 0.000 0.427 226 I N 2.198 122.740 120.570 -0.047 0.000 2.454 226 I HA -0.081 4.089 4.170 -0.000 0.000 0.254 226 I C 2.432 178.525 176.117 -0.040 0.000 1.156 226 I CA 1.488 62.758 61.300 -0.050 0.000 1.433 226 I CB -0.522 37.421 38.000 -0.094 0.000 1.082 226 I HN 0.414 nan 8.210 nan 0.000 0.432 227 K N 0.207 120.581 120.400 -0.044 0.000 2.305 227 K HA -0.125 4.195 4.320 -0.000 0.000 0.199 227 K C 1.396 178.010 176.600 0.023 0.000 1.047 227 K CA 1.091 57.374 56.287 -0.005 0.000 0.976 227 K CB 0.099 32.611 32.500 0.021 0.000 0.765 227 K HN 0.106 nan 8.250 nan 0.000 0.474 228 D N 1.003 121.431 120.400 0.047 0.000 2.194 228 D HA -0.039 4.601 4.640 -0.000 0.000 0.204 228 D C 1.809 178.123 176.300 0.023 0.000 0.964 228 D CA 0.710 54.746 54.000 0.060 0.000 0.846 228 D CB 0.088 40.972 40.800 0.140 0.000 0.962 228 D HN 0.236 nan 8.370 nan 0.000 0.490 229 I N 0.465 121.047 120.570 0.019 0.000 2.090 229 I HA -0.258 3.912 4.170 -0.000 0.000 0.236 229 I C 2.364 178.476 176.117 -0.010 0.000 1.064 229 I CA 0.702 62.005 61.300 0.004 0.000 1.324 229 I CB -0.293 37.710 38.000 0.004 0.000 1.044 229 I HN 0.041 nan 8.210 nan 0.000 0.399 230 L N 1.488 122.702 121.223 -0.015 0.000 2.089 230 L HA -0.188 4.152 4.340 -0.000 0.000 0.213 230 L C 2.233 179.083 176.870 -0.033 0.000 1.079 230 L CA 2.361 57.187 54.840 -0.022 0.000 0.758 230 L CB -1.201 40.843 42.059 -0.025 0.000 0.891 230 L HN 0.247 nan 8.230 nan 0.000 0.433 231 G N -1.399 107.377 108.800 -0.041 0.000 2.402 231 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.216 231 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.216 231 G C 1.583 176.441 174.900 -0.069 0.000 1.162 231 G CA 0.722 45.776 45.100 -0.077 0.000 0.777 231 G HN 0.653 nan 8.290 nan 0.000 0.539 232 A N 0.193 122.988 122.820 -0.042 0.000 1.969 232 A HA 0.121 4.441 4.320 -0.000 0.000 0.218 232 A C 2.317 179.890 177.584 -0.020 0.000 1.169 232 A CA 1.452 53.470 52.037 -0.032 0.000 0.635 232 A CB -0.345 18.644 19.000 -0.019 0.000 0.810 232 A HN 0.371 nan 8.150 nan 0.000 0.445 233 L N -0.417 120.796 121.223 -0.017 0.000 2.046 233 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 233 L C 2.232 179.100 176.870 -0.002 0.000 1.077 233 L CA 1.590 56.426 54.840 -0.007 0.000 0.747 233 L CB -0.367 41.687 42.059 -0.008 0.000 0.896 233 L HN 0.399 nan 8.230 nan 0.000 0.432 234 L N -1.636 119.579 121.223 -0.013 0.000 2.217 234 L HA -0.166 4.174 4.340 -0.000 0.000 0.211 234 L C 2.317 179.194 176.870 0.012 0.000 1.107 234 L CA 0.517 55.354 54.840 -0.005 0.000 0.783 234 L CB -0.418 41.626 42.059 -0.025 0.000 0.919 234 L HN 0.313 nan 8.230 nan 0.000 0.442 235 L N -0.417 120.807 121.223 0.003 0.000 2.056 235 L HA -0.190 4.150 4.340 -0.000 0.000 0.207 235 L C 2.362 179.257 176.870 0.041 0.000 1.078 235 L CA 1.569 56.424 54.840 0.025 0.000 0.749 235 L CB -0.259 41.804 42.059 0.006 0.000 0.901 235 L HN 0.055 nan 8.230 nan 0.000 0.433 236 I N -0.680 119.907 120.570 0.028 0.000 2.163 236 I HA -0.271 3.899 4.170 -0.000 0.000 0.243 236 I C 2.483 178.632 176.117 0.054 0.000 1.085 236 I CA 1.279 62.601 61.300 0.036 0.000 1.347 236 I CB -1.339 36.674 38.000 0.021 0.000 1.044 236 I HN 0.340 nan 8.210 nan 0.000 0.408 237 L N 1.513 122.766 121.223 0.051 0.000 1.971 237 L HA -0.204 4.136 4.340 -0.000 0.000 0.215 237 L C 2.637 179.559 176.870 0.086 0.000 1.072 237 L CA 2.541 57.422 54.840 0.067 0.000 0.758 237 L CB -1.181 40.910 42.059 0.053 0.000 0.889 237 L HN 0.228 nan 8.230 nan 0.000 0.433 238 A N -0.680 122.188 122.820 0.079 0.000 1.873 238 A HA -0.260 4.060 4.320 -0.000 0.000 0.218 238 A C 2.299 179.950 177.584 0.111 0.000 1.193 238 A CA 2.265 54.358 52.037 0.093 0.000 0.629 238 A CB -1.246 17.810 19.000 0.094 0.000 0.826 238 A HN 0.555 nan 8.150 nan 0.000 0.447 239 L N -0.684 120.603 121.223 0.106 0.000 1.971 239 L HA -0.213 4.127 4.340 -0.000 0.000 0.215 239 L C 2.499 179.443 176.870 0.123 0.000 1.072 239 L CA 2.500 57.410 54.840 0.117 0.000 0.758 239 L CB -0.465 41.654 42.059 0.100 0.000 0.889 239 L HN 0.379 nan 8.230 nan 0.000 0.433 240 M N -1.399 118.266 119.600 0.108 0.000 2.159 240 M HA -0.178 4.302 4.480 -0.000 0.000 0.263 240 M C 2.322 178.712 176.300 0.150 0.000 1.063 240 M CA 1.408 56.774 55.300 0.110 0.000 1.110 240 M CB -1.293 31.356 32.600 0.082 0.000 1.374 240 M HN 0.334 nan 8.290 nan 0.000 0.411 241 L N 0.268 121.605 121.223 0.189 0.000 2.046 241 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 241 L C 2.303 179.331 176.870 0.263 0.000 1.077 241 L CA 1.497 56.513 54.840 0.292 0.000 0.747 241 L CB -1.017 41.163 42.059 0.201 0.000 0.896 241 L HN 0.151 nan 8.230 nan 0.000 0.432 242 L N -1.351 119.980 121.223 0.180 0.000 1.973 242 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 242 L C 2.612 179.572 176.870 0.150 0.000 1.073 242 L CA 1.946 56.880 54.840 0.157 0.000 0.746 242 L CB -0.769 41.377 42.059 0.145 0.000 0.891 242 L HN 0.247 nan 8.230 nan 0.000 0.433 243 V N -1.101 118.906 119.914 0.155 0.000 2.490 243 V HA -0.228 3.892 4.120 -0.000 0.000 0.250 243 V C 2.119 178.301 176.094 0.147 0.000 1.061 243 V CA 1.914 64.317 62.300 0.171 0.000 1.064 243 V CB -0.256 31.716 31.823 0.248 0.000 0.670 243 V HN 0.421 nan 8.190 nan 0.000 0.461 244 L N -1.549 119.718 121.223 0.073 0.000 2.084 244 L HA 0.100 4.440 4.340 -0.000 0.000 0.202 244 L C 2.511 179.263 176.870 -0.197 0.000 1.074 244 L CA 1.551 56.345 54.840 -0.077 0.000 0.757 244 L CB -0.690 41.209 42.059 -0.267 0.000 0.918 244 L HN 0.296 nan 8.230 nan 0.000 0.444 245 F N 0.347 120.339 119.950 0.071 0.000 2.187 245 F HA 0.080 4.606 4.527 -0.000 0.000 0.295 245 F C 1.507 177.315 175.800 0.014 0.000 1.091 245 F CA 0.650 58.672 58.000 0.037 0.000 1.308 245 F CB -0.223 38.798 39.000 0.035 0.000 1.030 245 F HN -0.051 nan 8.300 nan 0.000 0.487 246 A N -0.284 122.642 122.820 0.176 0.000 3.258 246 A HA 0.458 4.778 4.320 -0.000 0.000 0.318 246 A C -1.941 175.662 177.584 0.031 0.000 0.990 246 A CA -1.032 51.058 52.037 0.089 0.000 0.885 246 A CB -0.326 18.732 19.000 0.097 0.000 1.090 246 A HN -0.024 nan 8.150 nan 0.000 0.479 247 P HA -0.137 nan 4.420 nan 0.000 0.216 247 P C 0.491 177.717 177.300 -0.122 0.000 1.150 247 P CA 1.316 64.292 63.100 -0.207 0.000 0.837 247 P CB 0.307 31.612 31.700 -0.659 0.000 0.786 248 D N -1.715 118.652 120.400 -0.055 0.000 2.368 248 D HA 0.082 4.722 4.640 -0.000 0.000 0.218 248 D C 1.658 178.016 176.300 0.096 0.000 1.112 248 D CA -0.140 53.899 54.000 0.066 0.000 0.834 248 D CB 0.074 40.949 40.800 0.125 0.000 0.953 248 D HN 0.060 nan 8.370 nan 0.000 0.505 249 L N 0.471 121.738 121.223 0.074 0.000 1.971 249 L HA -0.170 4.170 4.340 -0.000 0.000 0.215 249 L C 2.074 178.994 176.870 0.084 0.000 1.072 249 L CA 1.583 56.467 54.840 0.072 0.000 0.758 249 L CB -0.150 41.943 42.059 0.057 0.000 0.889 249 L HN 0.029 nan 8.230 nan 0.000 0.433 250 L N -1.092 120.194 121.223 0.106 0.000 2.554 250 L HA 0.035 4.374 4.340 -0.000 0.000 0.226 250 L C 2.064 179.064 176.870 0.216 0.000 1.137 250 L CA 0.597 55.516 54.840 0.133 0.000 0.863 250 L CB -0.715 41.448 42.059 0.173 0.000 0.985 250 L HN 0.455 nan 8.230 nan 0.000 0.451 251 G N -1.368 107.548 108.800 0.193 0.000 2.796 251 G HA2 0.029 3.989 3.960 -0.000 0.000 0.210 251 G HA3 0.029 3.989 3.960 -0.000 0.000 0.210 251 G C -0.236 174.774 174.900 0.183 0.000 1.146 251 G CA -0.183 45.034 45.100 0.196 0.000 0.779 251 G HN 0.386 nan 8.290 nan 0.000 0.535 252 D N -0.889 119.611 120.400 0.167 0.000 10.830 252 D HA -0.100 4.540 4.640 -0.000 0.000 0.342 252 D C -2.826 173.589 176.300 0.192 0.000 3.116 252 D CA 0.254 54.352 54.000 0.163 0.000 2.688 252 D CB 0.018 40.921 40.800 0.172 0.000 1.183 252 D HN 0.111 nan 8.370 nan 0.000 0.934 253 P HA 0.113 nan 4.420 nan 0.000 0.264 253 P C -0.424 176.990 177.300 0.190 0.000 1.236 253 P CA 0.516 63.739 63.100 0.205 0.000 0.811 253 P CB 0.521 32.300 31.700 0.132 0.000 0.840 254 D N 1.322 121.859 120.400 0.228 0.000 2.167 254 D HA -0.104 4.536 4.640 -0.000 0.000 0.191 254 D C 1.000 177.363 176.300 0.104 0.000 1.452 254 D CA 0.067 54.133 54.000 0.109 0.000 1.235 254 D CB -1.293 39.519 40.800 0.021 0.000 2.541 254 D HN 0.067 nan 8.370 nan 0.000 0.275 255 N N -0.357 118.374 118.700 0.052 0.000 2.717 255 N HA -0.050 4.690 4.740 -0.000 0.000 0.197 255 N C -0.322 175.115 175.510 -0.122 0.000 1.215 255 N CA 0.520 53.542 53.050 -0.046 0.000 0.949 255 N CB -0.394 38.069 38.487 -0.040 0.000 0.999 255 N HN 0.285 nan 8.380 nan 0.000 0.448 256 Y N 0.066 120.474 120.300 0.179 0.000 2.314 256 Y HA 0.170 4.720 4.550 -0.000 0.000 0.359 256 Y C 1.106 177.116 175.900 0.183 0.000 1.360 256 Y CA 0.079 58.352 58.100 0.288 0.000 1.697 256 Y CB -0.165 38.436 38.460 0.234 0.000 1.630 256 Y HN 0.100 nan 8.280 nan 0.000 0.583 257 T N -1.356 113.360 114.554 0.270 0.000 0.587 257 T HA -0.115 4.234 4.350 -0.000 0.000 0.768 257 T C -2.648 171.868 174.700 -0.306 0.000 0.992 257 T CA -1.343 60.706 62.100 -0.084 0.000 4.050 257 T CB -1.781 67.074 68.868 -0.022 0.000 2.287 257 T HN 0.318 nan 8.240 nan 0.000 0.395 258 P HA 0.401 nan 4.420 nan 0.000 0.273 258 P C 0.322 177.408 177.300 -0.357 0.000 1.248 258 P CA 0.335 63.063 63.100 -0.619 0.000 0.817 258 P CB 0.158 31.511 31.700 -0.578 0.000 0.995 259 A N 1.131 123.704 122.820 -0.412 0.000 2.371 259 A HA 0.395 4.715 4.320 -0.000 0.000 0.257 259 A C 0.148 177.413 177.584 -0.531 0.000 1.089 259 A CA 0.122 51.785 52.037 -0.623 0.000 0.794 259 A CB -0.334 17.902 19.000 -1.273 0.000 1.029 259 A HN 0.529 nan 8.150 nan 0.000 0.488 260 N N 1.496 119.862 118.700 -0.556 0.000 2.594 260 N HA 0.330 5.070 4.740 -0.000 0.000 0.280 260 N C -2.741 172.501 175.510 -0.446 0.000 1.156 260 N CA -1.318 51.508 53.050 -0.373 0.000 0.831 260 N CB 1.992 40.403 38.487 -0.126 0.000 1.379 260 N HN 0.139 nan 8.380 nan 0.000 0.536 261 P HA 0.115 nan 4.420 nan 0.000 0.244 261 P C 0.588 177.911 177.300 0.040 0.000 1.211 261 P CA 0.708 63.421 63.100 -0.646 0.000 0.760 261 P CB 0.249 31.622 31.700 -0.545 0.000 0.961 262 L N -3.152 118.151 121.223 0.133 0.000 2.878 262 L HA 0.225 4.565 4.340 -0.000 0.000 0.253 262 L C 1.978 178.961 176.870 0.188 0.000 1.135 262 L CA -0.031 54.911 54.840 0.170 0.000 0.943 262 L CB -0.317 41.772 42.059 0.050 0.000 1.307 262 L HN -0.075 nan 8.230 nan 0.000 0.545 263 N N 0.970 119.821 118.700 0.251 0.000 2.093 263 N HA -0.056 4.684 4.740 -0.000 0.000 0.191 263 N C -0.159 175.277 175.510 -0.123 0.000 1.062 263 N CA 1.890 54.995 53.050 0.091 0.000 0.854 263 N CB 0.214 38.764 38.487 0.106 0.000 1.043 263 N HN 0.150 nan 8.380 nan 0.000 0.438 264 T N 1.091 115.354 114.554 -0.485 0.000 2.506 264 T HA -0.053 4.297 4.350 -0.000 0.000 0.515 264 T C -2.764 171.622 174.700 -0.523 0.000 0.826 264 T CA -0.497 60.977 62.100 -1.044 0.000 2.733 264 T CB -1.095 67.332 68.868 -0.735 0.000 1.744 264 T HN 0.269 nan 8.240 nan 0.000 0.548 265 P HA 0.421 nan 4.420 nan 0.000 0.276 265 P C -2.439 174.797 177.300 -0.106 0.000 1.230 265 P CA -1.605 61.383 63.100 -0.187 0.000 0.776 265 P CB 0.124 31.754 31.700 -0.117 0.000 0.888 266 P HA 0.092 nan 4.420 nan 0.000 0.264 266 P C -0.108 177.264 177.300 0.120 0.000 1.537 266 P CA 0.845 63.950 63.100 0.009 0.000 1.189 266 P CB -0.128 31.578 31.700 0.010 0.000 1.687 267 H N 2.037 121.084 119.070 -0.038 0.000 5.085 267 H HA 0.102 4.658 4.556 -0.000 0.000 0.095 267 H C -0.105 175.228 175.328 0.009 0.000 1.301 267 H CA -0.175 55.870 56.048 -0.005 0.000 0.820 267 H CB 0.157 29.918 29.762 -0.001 0.000 1.364 267 H HN -0.037 nan 8.280 nan 0.000 0.108 268 I N 3.906 124.579 120.570 0.171 0.000 4.719 268 I HA -0.319 3.851 4.170 -0.000 0.000 0.126 268 I C -0.988 175.133 176.117 0.007 0.000 1.154 268 I CA 1.116 62.473 61.300 0.095 0.000 2.669 268 I CB -0.849 37.193 38.000 0.070 0.000 1.842 268 I HN 0.382 nan 8.210 nan 0.000 0.327 269 K N 5.144 125.485 120.400 -0.098 0.000 2.557 269 K HA 0.755 5.075 4.320 -0.000 0.000 0.257 269 K C -3.061 173.320 176.600 -0.365 0.000 0.933 269 K CA -1.820 54.256 56.287 -0.351 0.000 0.820 269 K CB 1.811 34.188 32.500 -0.206 0.000 1.330 269 K HN -0.077 nan 8.250 nan 0.000 0.432 270 P HA 0.020 nan 4.420 nan 0.000 0.272 270 P C -0.500 176.529 177.300 -0.452 0.000 1.254 270 P CA -0.372 62.430 63.100 -0.497 0.000 0.795 270 P CB 0.426 31.741 31.700 -0.642 0.000 1.022 271 E N 0.525 120.345 120.200 -0.634 0.000 2.422 271 E HA -0.072 4.278 4.350 -0.000 0.000 0.260 271 E C 1.512 177.711 176.600 -0.669 0.000 1.108 271 E CA 0.050 55.997 56.400 -0.755 0.000 0.943 271 E CB 0.063 29.035 29.700 -1.213 0.000 0.961 271 E HN 0.660 nan 8.360 nan 0.000 0.443 272 W N 3.298 124.318 121.300 -0.467 0.000 2.313 272 W HA -0.288 4.372 4.660 -0.000 0.000 0.293 272 W C 1.312 177.791 176.519 -0.068 0.000 1.216 272 W CA 1.260 58.491 57.345 -0.190 0.000 1.223 272 W CB -1.066 28.375 29.460 -0.031 0.000 1.138 272 W HN 0.604 nan 8.180 nan 0.000 0.535 273 Y N -2.153 117.652 120.300 -0.824 0.000 2.571 273 Y HA 0.131 4.681 4.550 -0.000 0.000 0.294 273 Y C 1.640 177.403 175.900 -0.229 0.000 1.141 273 Y CA 0.612 58.271 58.100 -0.735 0.000 1.308 273 Y CB -1.716 35.781 38.460 -1.604 0.000 1.002 273 Y HN -0.147 nan 8.280 nan 0.000 0.551 274 F N -0.489 119.291 119.950 -0.284 0.000 2.704 274 F HA 0.239 4.766 4.527 -0.000 0.000 0.304 274 F C 1.711 177.390 175.800 -0.201 0.000 1.094 274 F CA -0.191 57.672 58.000 -0.227 0.000 1.275 274 F CB 0.136 38.958 39.000 -0.298 0.000 1.073 274 F HN -0.013 nan 8.300 nan 0.000 0.586 275 L N -0.039 121.251 121.223 0.111 0.000 2.127 275 L HA -0.254 4.086 4.340 -0.000 0.000 0.211 275 L C 2.550 179.501 176.870 0.135 0.000 1.089 275 L CA 1.607 56.539 54.840 0.153 0.000 0.757 275 L CB -0.786 41.381 42.059 0.180 0.000 0.899 275 L HN 0.313 nan 8.230 nan 0.000 0.434 276 F N -0.113 119.857 119.950 0.033 0.000 2.146 276 F HA -0.037 4.490 4.527 -0.000 0.000 0.298 276 F C 2.437 178.184 175.800 -0.088 0.000 1.096 276 F CA 0.850 58.812 58.000 -0.062 0.000 1.275 276 F CB -1.029 37.880 39.000 -0.151 0.000 1.008 276 F HN -0.088 nan 8.300 nan 0.000 0.480 277 A N -0.162 121.888 122.820 -1.284 0.000 1.930 277 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 277 A C 2.184 179.603 177.584 -0.274 0.000 1.175 277 A CA 1.353 52.857 52.037 -0.889 0.000 0.627 277 A CB -1.659 16.812 19.000 -0.883 0.000 0.815 277 A HN 0.592 nan 8.150 nan 0.000 0.443 278 Y N 0.851 120.982 120.300 -0.282 0.000 2.165 278 Y HA -0.150 4.400 4.550 -0.000 0.000 0.286 278 Y C 2.679 178.504 175.900 -0.126 0.000 1.155 278 Y CA 0.991 59.002 58.100 -0.149 0.000 1.164 278 Y CB -0.767 37.627 38.460 -0.109 0.000 0.978 278 Y HN 0.312 nan 8.280 nan 0.000 0.513 279 A N 0.270 123.009 122.820 -0.135 0.000 1.902 279 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 279 A C 2.410 179.898 177.584 -0.159 0.000 1.181 279 A CA 1.885 53.806 52.037 -0.193 0.000 0.623 279 A CB -1.101 17.838 19.000 -0.102 0.000 0.818 279 A HN 0.525 nan 8.150 nan 0.000 0.443 280 I N -0.622 119.872 120.570 -0.126 0.000 2.163 280 I HA -0.254 3.916 4.170 -0.000 0.000 0.243 280 I C 2.517 178.610 176.117 -0.039 0.000 1.085 280 I CA 1.571 62.837 61.300 -0.055 0.000 1.347 280 I CB -0.450 37.518 38.000 -0.053 0.000 1.044 280 I HN 0.482 nan 8.210 nan 0.000 0.408 281 L N 2.272 123.451 121.223 -0.073 0.000 1.971 281 L HA -0.240 4.100 4.340 -0.000 0.000 0.215 281 L C 2.715 179.525 176.870 -0.099 0.000 1.072 281 L CA 2.030 56.833 54.840 -0.061 0.000 0.758 281 L CB -0.786 41.248 42.059 -0.042 0.000 0.889 281 L HN 0.255 nan 8.230 nan 0.000 0.433 282 R N -0.871 119.510 120.500 -0.198 0.000 2.316 282 R HA 0.035 4.375 4.340 -0.000 0.000 0.202 282 R C 1.545 177.767 176.300 -0.130 0.000 1.029 282 R CA 1.019 57.002 56.100 -0.195 0.000 1.018 282 R CB -0.871 29.235 30.300 -0.324 0.000 0.888 282 R HN 0.425 nan 8.270 nan 0.000 0.471 283 S N 0.972 116.613 115.700 -0.099 0.000 2.489 283 S HA 0.158 4.628 4.470 -0.000 0.000 0.228 283 S C 0.870 175.452 174.600 -0.031 0.000 0.995 283 S CA 0.336 58.503 58.200 -0.055 0.000 0.934 283 S CB 0.021 63.208 63.200 -0.022 0.000 0.771 283 S HN 0.253 nan 8.310 nan 0.000 0.522 284 I N 2.941 123.492 120.570 -0.032 0.000 2.330 284 I HA 0.278 4.448 4.170 -0.000 0.000 0.289 284 I C -2.813 173.287 176.117 -0.028 0.000 1.001 284 I CA -2.496 58.790 61.300 -0.023 0.000 1.193 284 I CB 1.516 39.505 38.000 -0.018 0.000 1.345 284 I HN -0.192 nan 8.210 nan 0.000 0.461 285 P HA 0.194 nan 4.420 nan 0.000 0.271 285 P C -0.677 176.612 177.300 -0.019 0.000 1.380 285 P CA 0.109 63.197 63.100 -0.021 0.000 0.992 285 P CB 0.107 31.797 31.700 -0.016 0.000 1.230 286 N N 2.389 121.079 118.700 -0.017 0.000 6.319 286 N HA -0.060 4.680 4.740 -0.000 0.000 0.120 286 N C 0.365 175.868 175.510 -0.012 0.000 0.961 286 N CA -0.327 52.714 53.050 -0.015 0.000 1.228 286 N CB 0.930 39.404 38.487 -0.020 0.000 1.394 286 N HN 0.064 nan 8.380 nan 0.000 1.112 287 K N 2.119 122.516 120.400 -0.005 0.000 1.978 287 K HA -0.139 4.181 4.320 -0.000 0.000 0.214 287 K C 1.834 178.432 176.600 -0.003 0.000 1.049 287 K CA 1.704 57.992 56.287 0.001 0.000 0.939 287 K CB -0.095 32.410 32.500 0.007 0.000 0.721 287 K HN 0.433 nan 8.250 nan 0.000 0.441 288 L N 0.761 121.981 121.223 -0.006 0.000 1.994 288 L HA -0.055 4.285 4.340 -0.000 0.000 0.208 288 L C 2.276 179.136 176.870 -0.017 0.000 1.071 288 L CA 2.447 57.281 54.840 -0.009 0.000 0.745 288 L CB -1.124 40.928 42.059 -0.012 0.000 0.892 288 L HN 0.390 nan 8.230 nan 0.000 0.431 289 G N -1.251 107.532 108.800 -0.027 0.000 2.442 289 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.219 289 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.219 289 G C 1.495 176.377 174.900 -0.030 0.000 1.141 289 G CA 0.666 45.741 45.100 -0.041 0.000 0.763 289 G HN 0.627 nan 8.290 nan 0.000 0.554 290 G N -0.015 108.774 108.800 -0.018 0.000 2.421 290 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.216 290 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.216 290 G C 1.718 176.622 174.900 0.006 0.000 1.171 290 G CA 1.112 46.207 45.100 -0.009 0.000 0.775 290 G HN 0.396 nan 8.290 nan 0.000 0.543 291 V N -0.083 119.835 119.914 0.006 0.000 2.871 291 V HA 0.101 4.221 4.120 -0.000 0.000 0.256 291 V C 2.544 178.655 176.094 0.029 0.000 1.082 291 V CA 1.005 63.315 62.300 0.016 0.000 1.105 291 V CB 0.061 31.889 31.823 0.009 0.000 0.713 291 V HN 0.256 nan 8.190 nan 0.000 0.473 292 L N 0.649 121.881 121.223 0.015 0.000 2.044 292 L HA 0.172 4.512 4.340 -0.000 0.000 0.205 292 L C 2.511 179.412 176.870 0.052 0.000 1.075 292 L CA 2.381 57.230 54.840 0.016 0.000 0.747 292 L CB -0.967 41.072 42.059 -0.035 0.000 0.903 292 L HN 0.302 nan 8.230 nan 0.000 0.435 293 A N -1.177 121.660 122.820 0.028 0.000 2.066 293 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 293 A C 2.181 179.895 177.584 0.217 0.000 1.157 293 A CA 1.347 53.438 52.037 0.091 0.000 0.670 293 A CB -0.741 18.278 19.000 0.031 0.000 0.804 293 A HN 0.450 nan 8.150 nan 0.000 0.453 294 L N -0.206 121.088 121.223 0.118 0.000 1.994 294 L HA -0.060 4.280 4.340 -0.000 0.000 0.208 294 L C 2.607 179.544 176.870 0.112 0.000 1.071 294 L CA 2.303 57.191 54.840 0.079 0.000 0.745 294 L CB -0.629 41.450 42.059 0.032 0.000 0.892 294 L HN 0.285 nan 8.230 nan 0.000 0.431 295 A N -0.715 122.179 122.820 0.123 0.000 1.858 295 A HA -0.267 4.053 4.320 -0.000 0.000 0.216 295 A C 2.319 180.027 177.584 0.206 0.000 1.190 295 A CA 1.928 54.043 52.037 0.130 0.000 0.617 295 A CB -1.412 17.656 19.000 0.113 0.000 0.827 295 A HN 0.578 nan 8.150 nan 0.000 0.443 296 F N 1.730 121.754 119.950 0.122 0.000 2.192 296 F HA -0.246 4.281 4.527 -0.000 0.000 0.301 296 F C 2.754 178.785 175.800 0.386 0.000 1.079 296 F CA 1.863 59.977 58.000 0.190 0.000 1.303 296 F CB 0.007 39.055 39.000 0.080 0.000 1.024 296 F HN 0.358 nan 8.300 nan 0.000 0.494 297 S N -0.519 115.495 115.700 0.523 0.000 2.469 297 S HA -0.155 4.315 4.470 -0.000 0.000 0.238 297 S C 1.747 176.522 174.600 0.292 0.000 0.998 297 S CA 1.431 59.897 58.200 0.443 0.000 0.957 297 S CB -0.585 62.716 63.200 0.168 0.000 0.764 297 S HN 0.529 nan 8.310 nan 0.000 0.514 298 I N -0.219 120.458 120.570 0.178 0.000 3.565 298 I HA 0.249 4.419 4.170 -0.000 0.000 0.287 298 I C 1.722 177.860 176.117 0.034 0.000 1.193 298 I CA 0.171 61.548 61.300 0.128 0.000 1.402 298 I CB 0.150 38.223 38.000 0.122 0.000 1.284 298 I HN 0.196 nan 8.210 nan 0.000 0.454 299 L N 0.788 122.005 121.223 -0.011 0.000 2.456 299 L HA -0.130 4.210 4.340 -0.000 0.000 0.224 299 L C 2.292 179.063 176.870 -0.166 0.000 1.148 299 L CA 0.917 55.717 54.840 -0.067 0.000 0.825 299 L CB -0.280 41.755 42.059 -0.040 0.000 0.937 299 L HN 0.323 nan 8.230 nan 0.000 0.450 300 I N -0.198 120.222 120.570 -0.251 0.000 2.700 300 I HA -0.265 3.905 4.170 -0.000 0.000 0.261 300 I C 2.090 178.151 176.117 -0.093 0.000 1.219 300 I CA 0.941 62.055 61.300 -0.309 0.000 1.463 300 I CB 0.152 37.995 38.000 -0.261 0.000 1.092 300 I HN 0.249 nan 8.210 nan 0.000 0.452 301 L N 0.588 121.809 121.223 -0.004 0.000 2.275 301 L HA -0.116 4.224 4.340 -0.000 0.000 0.215 301 L C 2.457 179.495 176.870 0.279 0.000 1.119 301 L CA 0.966 55.889 54.840 0.138 0.000 0.790 301 L CB -0.676 41.399 42.059 0.026 0.000 0.919 301 L HN 0.313 nan 8.230 nan 0.000 0.443 302 A N -0.828 122.060 122.820 0.113 0.000 2.238 302 A HA 0.096 4.416 4.320 -0.000 0.000 0.208 302 A C 1.998 179.634 177.584 0.087 0.000 1.177 302 A CA 0.491 52.613 52.037 0.142 0.000 0.804 302 A CB -0.107 18.927 19.000 0.057 0.000 0.823 302 A HN 0.372 nan 8.150 nan 0.000 0.482 303 L N -1.182 120.055 121.223 0.023 0.000 2.575 303 L HA 0.159 4.499 4.340 -0.000 0.000 0.228 303 L C 1.978 178.808 176.870 -0.067 0.000 1.075 303 L CA 0.231 55.061 54.840 -0.017 0.000 0.867 303 L CB -0.273 41.764 42.059 -0.037 0.000 1.097 303 L HN 0.340 nan 8.230 nan 0.000 0.485 304 I N 1.540 122.042 120.570 -0.112 0.000 2.113 304 I HA -0.278 3.892 4.170 -0.000 0.000 0.242 304 I C -0.352 175.508 176.117 -0.428 0.000 1.064 304 I CA 1.987 63.090 61.300 -0.330 0.000 1.320 304 I CB -1.481 36.234 38.000 -0.475 0.000 1.028 304 I HN 0.206 nan 8.210 nan 0.000 0.406 305 P HA -0.149 nan 4.420 nan 0.000 0.219 305 P C 1.680 178.958 177.300 -0.037 0.000 1.146 305 P CA 1.386 64.403 63.100 -0.137 0.000 0.808 305 P CB -0.098 31.558 31.700 -0.073 0.000 0.779 306 L N -2.150 119.046 121.223 -0.045 0.000 2.465 306 L HA -0.017 4.323 4.340 -0.000 0.000 0.224 306 L C 1.183 178.047 176.870 -0.009 0.000 1.145 306 L CA 0.769 55.602 54.840 -0.012 0.000 0.834 306 L CB -0.701 41.357 42.059 -0.002 0.000 0.944 306 L HN -0.014 nan 8.230 nan 0.000 0.451 307 L N -1.911 119.292 121.223 -0.034 0.000 3.154 307 L HA 0.208 4.548 4.340 -0.000 0.000 0.266 307 L C 1.450 178.306 176.870 -0.024 0.000 1.300 307 L CA -0.252 54.566 54.840 -0.037 0.000 1.028 307 L CB -0.224 41.797 42.059 -0.064 0.000 1.412 307 L HN -0.003 nan 8.230 nan 0.000 0.564 308 H N 0.692 119.729 119.070 -0.054 0.000 2.276 308 H HA -0.156 4.400 4.556 -0.000 0.000 0.301 308 H C 1.862 177.169 175.328 -0.035 0.000 1.073 308 H CA 2.359 58.404 56.048 -0.005 0.000 1.311 308 H CB 0.405 30.197 29.762 0.050 0.000 1.379 308 H HN 0.346 nan 8.280 nan 0.000 0.494 309 T N -1.795 112.721 114.554 -0.063 0.000 12.057 309 T HA -0.329 4.021 4.350 -0.000 0.000 0.412 309 T C 0.657 175.249 174.700 -0.180 0.000 1.495 309 T CA 1.515 63.539 62.100 -0.127 0.000 2.454 309 T CB -1.930 66.862 68.868 -0.127 0.000 2.808 309 T HN 0.599 nan 8.240 nan 0.000 0.847 310 S N 0.638 116.104 115.700 -0.390 0.000 2.580 310 S HA 0.375 4.845 4.470 -0.000 0.000 0.274 310 S C 1.008 175.532 174.600 -0.126 0.000 1.329 310 S CA 0.069 58.116 58.200 -0.255 0.000 1.036 310 S CB 1.065 64.076 63.200 -0.314 0.000 0.919 310 S HN 0.484 nan 8.310 nan 0.000 0.515 311 K N 1.527 121.827 120.400 -0.167 0.000 2.432 311 K HA 0.073 4.393 4.320 -0.000 0.000 0.196 311 K C 0.432 176.866 176.600 -0.276 0.000 1.038 311 K CA 0.575 56.651 56.287 -0.351 0.000 0.986 311 K CB 0.088 32.099 32.500 -0.815 0.000 0.782 311 K HN 0.616 nan 8.250 nan 0.000 0.485 312 Q N -0.279 119.485 119.800 -0.060 0.000 2.226 312 Q HA 0.228 4.568 4.340 -0.000 0.000 0.256 312 Q C 0.630 176.695 176.000 0.108 0.000 0.962 312 Q CA -0.330 55.508 55.803 0.059 0.000 0.887 312 Q CB 2.039 30.895 28.738 0.195 0.000 1.282 312 Q HN -0.011 nan 8.270 nan 0.000 0.449 313 R N 0.500 121.030 120.500 0.050 0.000 2.080 313 R HA 0.086 4.426 4.340 -0.000 0.000 0.222 313 R C 0.749 177.022 176.300 -0.045 0.000 1.107 313 R CA 0.622 56.697 56.100 -0.042 0.000 0.980 313 R CB 0.305 30.507 30.300 -0.163 0.000 0.879 313 R HN 0.527 nan 8.270 nan 0.000 0.439 314 S N -1.002 114.684 115.700 -0.024 0.000 2.738 314 S HA 0.227 4.697 4.470 -0.000 0.000 0.284 314 S C 0.840 175.304 174.600 -0.227 0.000 1.146 314 S CA -0.683 57.470 58.200 -0.078 0.000 0.997 314 S CB 1.214 64.437 63.200 0.039 0.000 1.081 314 S HN 0.265 nan 8.310 nan 0.000 0.553 315 M N 1.632 120.930 119.600 -0.503 0.000 2.382 315 M HA 0.126 4.606 4.480 -0.000 0.000 0.247 315 M C 1.807 177.838 176.300 -0.447 0.000 1.104 315 M CA 0.079 54.970 55.300 -0.681 0.000 1.030 315 M CB -0.151 31.573 32.600 -1.460 0.000 1.424 315 M HN 0.831 nan 8.290 nan 0.000 0.486 316 M N 0.664 120.072 119.600 -0.320 0.000 2.108 316 M HA -0.234 4.246 4.480 -0.000 0.000 0.257 316 M C 0.342 176.441 176.300 -0.336 0.000 1.071 316 M CA 2.173 57.291 55.300 -0.304 0.000 1.093 316 M CB -0.005 32.308 32.600 -0.479 0.000 1.345 316 M HN 0.170 nan 8.290 nan 0.000 0.403 317 F N 1.121 121.094 119.950 0.038 0.000 2.639 317 F HA 0.264 4.791 4.527 -0.000 0.000 0.300 317 F C 0.163 175.968 175.800 0.009 0.000 1.109 317 F CA -0.297 57.725 58.000 0.037 0.000 1.335 317 F CB -0.217 38.816 39.000 0.055 0.000 1.014 317 F HN 0.144 nan 8.300 nan 0.000 0.537 318 R N -0.499 120.033 120.500 0.053 0.000 2.415 318 R HA 0.390 4.730 4.340 -0.000 0.000 0.292 318 R C -2.677 173.617 176.300 -0.009 0.000 1.295 318 R CA -1.653 54.457 56.100 0.017 0.000 1.137 318 R CB 0.746 31.039 30.300 -0.011 0.000 1.135 318 R HN -0.096 nan 8.270 nan 0.000 0.560 319 P HA -0.196 nan 4.420 nan 0.000 0.214 319 P C 1.259 178.581 177.300 0.037 0.000 1.163 319 P CA 1.183 64.313 63.100 0.049 0.000 0.889 319 P CB 0.183 31.917 31.700 0.056 0.000 0.790 320 L N -1.172 120.063 121.223 0.020 0.000 2.083 320 L HA -0.150 4.190 4.340 -0.000 0.000 0.209 320 L C 2.382 179.252 176.870 -0.001 0.000 1.083 320 L CA 1.643 56.492 54.840 0.016 0.000 0.752 320 L CB -1.310 40.752 42.059 0.005 0.000 0.899 320 L HN 0.001 nan 8.230 nan 0.000 0.433 321 S N -0.749 114.926 115.700 -0.043 0.000 2.402 321 S HA -0.172 4.298 4.470 -0.000 0.000 0.229 321 S C 1.969 176.513 174.600 -0.093 0.000 1.021 321 S CA 1.001 59.144 58.200 -0.095 0.000 0.974 321 S CB -0.089 63.009 63.200 -0.169 0.000 0.800 321 S HN 0.435 nan 8.310 nan 0.000 0.484 322 Q N 0.071 119.837 119.800 -0.057 0.000 2.020 322 Q HA -0.147 4.193 4.340 -0.000 0.000 0.202 322 Q C 2.525 178.662 176.000 0.228 0.000 0.982 322 Q CA 1.694 57.526 55.803 0.048 0.000 0.838 322 Q CB -0.446 28.400 28.738 0.180 0.000 0.899 322 Q HN 0.566 nan 8.270 nan 0.000 0.423 323 C N 0.696 120.119 119.300 0.204 0.000 2.398 323 C HA -0.166 4.294 4.460 -0.000 0.000 0.276 323 C C 2.632 177.717 174.990 0.157 0.000 1.222 323 C CA 0.607 59.755 59.018 0.217 0.000 1.746 323 C CB -1.205 26.611 27.740 0.128 0.000 2.039 323 C HN 0.486 nan 8.230 nan 0.000 0.470 324 L N -0.213 121.054 121.223 0.073 0.000 2.042 324 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 324 L C 2.485 179.348 176.870 -0.011 0.000 1.076 324 L CA 1.776 56.627 54.840 0.018 0.000 0.749 324 L CB -0.808 41.240 42.059 -0.018 0.000 0.893 324 L HN 0.368 nan 8.230 nan 0.000 0.432 325 F N 0.017 119.848 119.950 -0.198 0.000 2.075 325 F HA -0.238 4.289 4.527 -0.000 0.000 0.297 325 F C 2.097 177.689 175.800 -0.347 0.000 1.113 325 F CA 1.490 59.276 58.000 -0.357 0.000 1.218 325 F CB -0.511 38.160 39.000 -0.547 0.000 0.984 325 F HN -0.040 nan 8.300 nan 0.000 0.472 326 W N 0.359 121.704 121.300 0.075 0.000 2.374 326 W HA -0.094 4.566 4.660 -0.000 0.000 0.288 326 W C 2.578 179.021 176.519 -0.126 0.000 1.218 326 W CA 1.177 58.488 57.345 -0.057 0.000 1.245 326 W CB -0.793 28.717 29.460 0.084 0.000 1.126 326 W HN 0.123 nan 8.180 nan 0.000 0.545 327 A N -0.058 122.820 122.820 0.096 0.000 1.969 327 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 327 A C 1.953 179.501 177.584 -0.060 0.000 1.169 327 A CA 1.055 53.111 52.037 0.032 0.000 0.635 327 A CB -0.768 18.248 19.000 0.027 0.000 0.810 327 A HN 0.329 nan 8.150 nan 0.000 0.445 328 L N -0.305 120.803 121.223 -0.191 0.000 2.005 328 L HA -0.148 4.192 4.340 -0.000 0.000 0.207 328 L C 2.529 179.252 176.870 -0.246 0.000 1.072 328 L CA 1.691 56.379 54.840 -0.253 0.000 0.744 328 L CB -0.403 41.418 42.059 -0.398 0.000 0.895 328 L HN 0.285 nan 8.230 nan 0.000 0.433 329 V N 0.211 119.900 119.914 -0.376 0.000 2.287 329 V HA -0.308 3.812 4.120 -0.000 0.000 0.248 329 V C 2.807 178.869 176.094 -0.053 0.000 1.053 329 V CA 1.751 63.912 62.300 -0.232 0.000 1.027 329 V CB -1.023 30.692 31.823 -0.180 0.000 0.646 329 V HN 0.568 nan 8.190 nan 0.000 0.447 330 A N -0.004 122.823 122.820 0.012 0.000 1.908 330 A HA -0.328 3.992 4.320 -0.000 0.000 0.218 330 A C 2.072 179.671 177.584 0.025 0.000 1.181 330 A CA 2.321 54.378 52.037 0.034 0.000 0.627 330 A CB -0.767 18.263 19.000 0.050 0.000 0.818 330 A HN 0.578 nan 8.150 nan 0.000 0.445 331 D N -0.341 120.069 120.400 0.016 0.000 2.178 331 D HA -0.078 4.561 4.640 -0.000 0.000 0.201 331 D C 1.720 178.049 176.300 0.048 0.000 0.980 331 D CA 0.890 54.917 54.000 0.045 0.000 0.842 331 D CB -0.209 40.619 40.800 0.047 0.000 0.948 331 D HN 0.440 nan 8.370 nan 0.000 0.472 332 L N -0.158 121.062 121.223 -0.004 0.000 2.291 332 L HA -0.041 4.299 4.340 -0.000 0.000 0.214 332 L C 2.316 179.199 176.870 0.021 0.000 1.120 332 L CA 0.184 54.998 54.840 -0.044 0.000 0.799 332 L CB -0.096 41.847 42.059 -0.193 0.000 0.925 332 L HN 0.173 nan 8.230 nan 0.000 0.446 333 L N -0.958 120.292 121.223 0.046 0.000 2.044 333 L HA -0.143 4.196 4.340 -0.000 0.000 0.205 333 L C 2.604 179.581 176.870 0.179 0.000 1.075 333 L CA 1.444 56.336 54.840 0.086 0.000 0.747 333 L CB -0.939 41.143 42.059 0.038 0.000 0.903 333 L HN 0.248 nan 8.230 nan 0.000 0.435 334 T N 0.818 115.487 114.554 0.191 0.000 2.665 334 T HA -0.228 4.122 4.350 -0.000 0.000 0.268 334 T C 2.015 176.904 174.700 0.315 0.000 1.035 334 T CA 1.387 63.708 62.100 0.368 0.000 1.151 334 T CB -0.403 68.630 68.868 0.275 0.000 0.862 334 T HN 0.171 nan 8.240 nan 0.000 0.438 335 L N 1.080 122.408 121.223 0.175 0.000 2.012 335 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 335 L C 3.169 180.120 176.870 0.135 0.000 1.073 335 L CA 1.878 56.787 54.840 0.116 0.000 0.748 335 L CB -1.251 40.863 42.059 0.091 0.000 0.891 335 L HN 0.498 nan 8.230 nan 0.000 0.431 336 T N -3.425 111.249 114.554 0.200 0.000 2.812 336 T HA -0.251 4.099 4.350 -0.000 0.000 0.264 336 T C 1.487 176.304 174.700 0.194 0.000 1.042 336 T CA 0.825 63.056 62.100 0.218 0.000 1.140 336 T CB -0.698 68.335 68.868 0.275 0.000 0.870 336 T HN 0.521 nan 8.240 nan 0.000 0.445 337 W N 2.222 123.531 121.300 0.014 0.000 2.333 337 W HA -0.058 4.602 4.660 -0.000 0.000 0.316 337 W C 1.734 178.182 176.519 -0.117 0.000 1.215 337 W CA 0.720 58.041 57.345 -0.041 0.000 1.278 337 W CB -0.727 28.712 29.460 -0.036 0.000 1.154 337 W HN 0.103 nan 8.180 nan 0.000 0.486 338 I N 1.544 121.849 120.570 -0.442 0.000 2.163 338 I HA -0.201 3.969 4.170 -0.000 0.000 0.243 338 I C 2.647 178.516 176.117 -0.413 0.000 1.085 338 I CA 1.964 62.852 61.300 -0.685 0.000 1.347 338 I CB -2.083 35.688 38.000 -0.382 0.000 1.044 338 I HN 0.271 nan 8.210 nan 0.000 0.408 339 G N 0.267 108.965 108.800 -0.170 0.000 2.475 339 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.220 339 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.220 339 G C 1.518 176.441 174.900 0.038 0.000 1.125 339 G CA 0.848 45.936 45.100 -0.020 0.000 0.755 339 G HN 0.530 nan 8.290 nan 0.000 0.565 340 G N -1.017 107.741 108.800 -0.071 0.000 3.262 340 G HA2 0.391 4.351 3.960 -0.000 0.000 0.228 340 G HA3 0.391 4.351 3.960 -0.000 0.000 0.228 340 G C 0.339 175.116 174.900 -0.204 0.000 1.197 340 G CA -0.155 44.896 45.100 -0.081 0.000 0.819 340 G HN 0.319 nan 8.290 nan 0.000 0.531 341 Q N -0.119 119.485 119.800 -0.325 0.000 2.423 341 Q HA 0.360 4.700 4.340 -0.000 0.000 0.278 341 Q C -2.776 173.080 176.000 -0.239 0.000 1.097 341 Q CA -2.002 53.557 55.803 -0.407 0.000 0.809 341 Q CB 2.025 30.158 28.738 -1.009 0.000 1.391 341 Q HN -0.060 nan 8.270 nan 0.000 0.428 342 P HA 0.005 nan 4.420 nan 0.000 0.268 342 P C -0.100 177.205 177.300 0.008 0.000 1.208 342 P CA -0.223 62.865 63.100 -0.020 0.000 0.777 342 P CB 0.533 32.256 31.700 0.039 0.000 0.875 343 V N 2.600 122.503 119.914 -0.019 0.000 2.008 343 V HA 0.048 4.168 4.120 -0.000 0.000 0.262 343 V C 0.454 176.552 176.094 0.007 0.000 1.580 343 V CA 0.720 63.005 62.300 -0.025 0.000 1.515 343 V CB -1.512 30.270 31.823 -0.068 0.000 1.474 343 V HN 0.500 nan 8.190 nan 0.000 0.504 344 E N 0.792 121.016 120.200 0.041 0.000 2.672 344 E HA 0.321 4.671 4.350 -0.000 0.000 0.235 344 E C 1.003 177.597 176.600 -0.010 0.000 0.906 344 E CA -0.639 55.776 56.400 0.025 0.000 0.973 344 E CB 0.544 30.266 29.700 0.035 0.000 1.478 344 E HN 0.462 nan 8.360 nan 0.000 0.430 345 H N 1.182 120.200 119.070 -0.086 0.000 2.306 345 H HA -0.151 4.405 4.556 -0.000 0.000 0.289 345 H C -0.913 174.332 175.328 -0.138 0.000 1.081 345 H CA 2.868 58.853 56.048 -0.105 0.000 1.163 345 H CB -0.999 28.708 29.762 -0.091 0.000 1.357 345 H HN 0.229 nan 8.280 nan 0.000 0.524 346 P HA -0.099 nan 4.420 nan 0.000 0.214 346 P C 1.401 178.459 177.300 -0.403 0.000 1.162 346 P CA 1.307 63.956 63.100 -0.752 0.000 0.871 346 P CB -0.489 30.836 31.700 -0.624 0.000 0.783 347 Y N -0.314 119.839 120.300 -0.245 0.000 2.228 347 Y HA -0.180 4.370 4.550 -0.000 0.000 0.285 347 Y C 2.389 178.159 175.900 -0.216 0.000 1.178 347 Y CA 0.200 58.139 58.100 -0.269 0.000 1.202 347 Y CB -1.854 36.425 38.460 -0.303 0.000 0.974 347 Y HN -0.046 nan 8.280 nan 0.000 0.527 348 I N -0.691 119.851 120.570 -0.047 0.000 2.113 348 I HA -0.331 3.839 4.170 -0.000 0.000 0.238 348 I C 2.687 178.772 176.117 -0.053 0.000 1.070 348 I CA 2.133 63.401 61.300 -0.054 0.000 1.332 348 I CB -0.739 37.233 38.000 -0.047 0.000 1.044 348 I HN 0.273 nan 8.210 nan 0.000 0.402 349 T N 0.499 115.011 114.554 -0.071 0.000 2.833 349 T HA -0.187 4.163 4.350 -0.000 0.000 0.269 349 T C 1.893 176.583 174.700 -0.017 0.000 1.054 349 T CA 1.542 63.615 62.100 -0.044 0.000 1.135 349 T CB -0.430 68.407 68.868 -0.053 0.000 0.869 349 T HN 0.482 nan 8.240 nan 0.000 0.466 350 I N -0.219 120.343 120.570 -0.014 0.000 2.584 350 I HA 0.254 4.424 4.170 -0.000 0.000 0.255 350 I C 2.474 178.610 176.117 0.032 0.000 1.145 350 I CA 1.308 62.630 61.300 0.037 0.000 1.462 350 I CB -0.860 37.197 38.000 0.095 0.000 1.102 350 I HN 0.328 nan 8.210 nan 0.000 0.433 351 G N 0.463 109.257 108.800 -0.011 0.000 2.443 351 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.219 351 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.219 351 G C 1.559 176.454 174.900 -0.009 0.000 1.131 351 G CA 0.616 45.696 45.100 -0.033 0.000 0.775 351 G HN 0.520 nan 8.290 nan 0.000 0.547 352 Q N -0.639 119.161 119.800 -0.001 0.000 2.033 352 Q HA 0.169 4.509 4.340 -0.000 0.000 0.196 352 Q C 2.613 178.640 176.000 0.045 0.000 0.970 352 Q CA 0.468 56.281 55.803 0.017 0.000 0.828 352 Q CB -0.137 28.605 28.738 0.007 0.000 0.895 352 Q HN 0.440 nan 8.270 nan 0.000 0.440 353 L N -0.017 121.233 121.223 0.044 0.000 2.046 353 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 353 L C 2.459 179.376 176.870 0.079 0.000 1.077 353 L CA 1.096 55.972 54.840 0.060 0.000 0.747 353 L CB -0.528 41.563 42.059 0.053 0.000 0.896 353 L HN 0.272 nan 8.230 nan 0.000 0.432 354 A N -0.927 121.940 122.820 0.078 0.000 1.972 354 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 354 A C 2.485 180.130 177.584 0.102 0.000 1.169 354 A CA 1.975 54.066 52.037 0.090 0.000 0.635 354 A CB -0.490 18.566 19.000 0.093 0.000 0.810 354 A HN 0.383 nan 8.150 nan 0.000 0.446 355 S N -0.350 115.408 115.700 0.098 0.000 2.368 355 S HA -0.125 4.345 4.470 -0.000 0.000 0.224 355 S C 1.923 176.684 174.600 0.269 0.000 1.029 355 S CA 1.459 59.745 58.200 0.143 0.000 0.988 355 S CB -0.471 62.810 63.200 0.135 0.000 0.838 355 S HN 0.393 nan 8.310 nan 0.000 0.462 356 V N 1.921 121.965 119.914 0.218 0.000 2.295 356 V HA -0.153 3.967 4.120 -0.000 0.000 0.246 356 V C 2.256 178.481 176.094 0.218 0.000 1.049 356 V CA 1.526 63.967 62.300 0.236 0.000 1.024 356 V CB -0.798 31.108 31.823 0.139 0.000 0.648 356 V HN 0.335 nan 8.190 nan 0.000 0.447 357 L N -0.534 120.777 121.223 0.147 0.000 2.012 357 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 357 L C 2.382 179.302 176.870 0.084 0.000 1.073 357 L CA 2.220 57.121 54.840 0.101 0.000 0.748 357 L CB -0.812 41.294 42.059 0.079 0.000 0.891 357 L HN 0.454 nan 8.230 nan 0.000 0.431 358 Y N -0.543 119.719 120.300 -0.063 0.000 2.069 358 Y HA -0.366 4.184 4.550 -0.000 0.000 0.278 358 Y C 2.117 177.884 175.900 -0.221 0.000 1.175 358 Y CA 2.341 60.314 58.100 -0.211 0.000 1.134 358 Y CB -0.606 37.631 38.460 -0.372 0.000 0.965 358 Y HN 0.221 nan 8.280 nan 0.000 0.498 359 F N -1.046 118.997 119.950 0.154 0.000 2.259 359 F HA -0.115 4.412 4.527 -0.000 0.000 0.298 359 F C 2.118 177.924 175.800 0.010 0.000 1.088 359 F CA 0.983 59.030 58.000 0.078 0.000 1.358 359 F CB -0.876 38.243 39.000 0.199 0.000 1.040 359 F HN 0.156 nan 8.300 nan 0.000 0.505 360 L N -0.703 120.622 121.223 0.171 0.000 2.093 360 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 360 L C 2.100 178.979 176.870 0.014 0.000 1.085 360 L CA 1.296 56.189 54.840 0.088 0.000 0.755 360 L CB -0.731 41.373 42.059 0.075 0.000 0.904 360 L HN 0.040 nan 8.230 nan 0.000 0.435 361 L N -0.470 120.729 121.223 -0.040 0.000 1.961 361 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 361 L C 2.362 179.158 176.870 -0.123 0.000 1.072 361 L CA 1.985 56.771 54.840 -0.090 0.000 0.749 361 L CB -0.665 41.315 42.059 -0.132 0.000 0.889 361 L HN 0.219 nan 8.230 nan 0.000 0.432 362 I N -1.495 118.955 120.570 -0.201 0.000 2.226 362 I HA -0.288 3.882 4.170 -0.000 0.000 0.245 362 I C 2.151 178.213 176.117 -0.092 0.000 1.100 362 I CA 0.948 62.129 61.300 -0.198 0.000 1.374 362 I CB -0.208 37.600 38.000 -0.320 0.000 1.057 362 I HN 0.220 nan 8.210 nan 0.000 0.413 363 L N -0.836 120.379 121.223 -0.013 0.000 2.341 363 L HA 0.005 4.345 4.340 -0.000 0.000 0.214 363 L C 1.692 178.571 176.870 0.017 0.000 1.115 363 L CA 1.227 56.091 54.840 0.041 0.000 0.820 363 L CB 0.331 42.475 42.059 0.141 0.000 0.944 363 L HN 0.001 nan 8.230 nan 0.000 0.452 364 V N -3.028 116.888 119.914 0.003 0.000 3.177 364 V HA 0.033 4.153 4.120 -0.000 0.000 0.219 364 V C 1.703 177.786 176.094 -0.019 0.000 1.344 364 V CA 0.037 62.335 62.300 -0.002 0.000 1.324 364 V CB 0.164 31.995 31.823 0.014 0.000 1.165 364 V HN 0.014 nan 8.190 nan 0.000 0.510 365 L N 0.069 121.278 121.223 -0.022 0.000 2.017 365 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 365 L C 2.376 179.218 176.870 -0.047 0.000 1.073 365 L CA 2.292 57.115 54.840 -0.029 0.000 0.745 365 L CB -0.802 41.242 42.059 -0.024 0.000 0.894 365 L HN 0.284 nan 8.230 nan 0.000 0.432 366 M N -1.006 118.554 119.600 -0.068 0.000 2.086 366 M HA -0.154 4.326 4.480 -0.000 0.000 0.261 366 M C -0.180 176.062 176.300 -0.097 0.000 1.067 366 M CA 1.967 57.214 55.300 -0.089 0.000 1.116 366 M CB -1.487 31.046 32.600 -0.112 0.000 1.348 366 M HN 0.118 nan 8.290 nan 0.000 0.407 367 P HA -0.073 nan 4.420 nan 0.000 0.218 367 P C 1.270 178.528 177.300 -0.070 0.000 1.149 367 P CA 1.302 64.349 63.100 -0.089 0.000 0.817 367 P CB -0.199 31.462 31.700 -0.065 0.000 0.785 368 T N -0.443 114.081 114.554 -0.050 0.000 2.737 368 T HA -0.116 4.234 4.350 -0.000 0.000 0.265 368 T C 1.913 176.590 174.700 -0.038 0.000 1.038 368 T CA 1.611 63.689 62.100 -0.036 0.000 1.144 368 T CB -0.954 67.900 68.868 -0.023 0.000 0.866 368 T HN 0.031 nan 8.240 nan 0.000 0.434 369 A N 1.350 124.144 122.820 -0.045 0.000 1.978 369 A HA 0.064 4.384 4.320 -0.000 0.000 0.220 369 A C 2.577 180.130 177.584 -0.052 0.000 1.170 369 A CA 1.917 53.929 52.037 -0.042 0.000 0.636 369 A CB -1.337 17.635 19.000 -0.046 0.000 0.810 369 A HN 0.518 nan 8.150 nan 0.000 0.448 370 G N -1.170 107.580 108.800 -0.083 0.000 2.421 370 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.216 370 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.216 370 G C 1.589 176.454 174.900 -0.058 0.000 1.171 370 G CA 1.620 46.657 45.100 -0.105 0.000 0.775 370 G HN 0.421 nan 8.290 nan 0.000 0.543 371 T N 1.335 115.860 114.554 -0.047 0.000 2.708 371 T HA -0.047 4.303 4.350 -0.000 0.000 0.266 371 T C 2.387 177.088 174.700 0.002 0.000 1.037 371 T CA 0.971 63.059 62.100 -0.021 0.000 1.146 371 T CB -0.171 68.685 68.868 -0.020 0.000 0.865 371 T HN 0.226 nan 8.240 nan 0.000 0.435 372 I N 0.942 121.510 120.570 -0.003 0.000 2.163 372 I HA -0.196 3.974 4.170 -0.000 0.000 0.243 372 I C 2.616 178.746 176.117 0.021 0.000 1.085 372 I CA 1.509 62.813 61.300 0.007 0.000 1.347 372 I CB -0.454 37.547 38.000 0.001 0.000 1.044 372 I HN 0.364 nan 8.210 nan 0.000 0.408 373 E N 0.757 120.968 120.200 0.019 0.000 2.085 373 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 373 E C 1.897 178.552 176.600 0.091 0.000 0.994 373 E CA 1.267 57.692 56.400 0.042 0.000 0.801 373 E CB -0.144 29.574 29.700 0.030 0.000 0.743 373 E HN 0.463 nan 8.360 nan 0.000 0.453 374 N N 0.888 119.649 118.700 0.103 0.000 2.120 374 N HA -0.137 4.603 4.740 -0.000 0.000 0.188 374 N C 1.483 177.094 175.510 0.167 0.000 1.024 374 N CA 1.063 54.229 53.050 0.193 0.000 0.852 374 N CB -0.098 38.465 38.487 0.127 0.000 1.003 374 N HN 0.123 nan 8.380 nan 0.000 0.424 375 K N 0.402 120.856 120.400 0.089 0.000 2.097 375 K HA 0.027 4.347 4.320 -0.000 0.000 0.205 375 K C 1.957 178.579 176.600 0.038 0.000 1.050 375 K CA 0.561 56.886 56.287 0.063 0.000 0.938 375 K CB -0.122 32.400 32.500 0.038 0.000 0.718 375 K HN 0.122 nan 8.250 nan 0.000 0.442 376 L N 0.654 121.894 121.223 0.029 0.000 2.201 376 L HA -0.111 4.229 4.340 -0.000 0.000 0.212 376 L C 1.810 178.662 176.870 -0.030 0.000 1.105 376 L CA 0.775 55.617 54.840 0.002 0.000 0.775 376 L CB -0.016 42.046 42.059 0.005 0.000 0.913 376 L HN 0.162 nan 8.230 nan 0.000 0.440 377 L N -0.793 120.412 121.223 -0.030 0.000 2.611 377 L HA 0.017 4.357 4.340 -0.000 0.000 0.229 377 L C 0.849 177.593 176.870 -0.209 0.000 1.137 377 L CA 0.188 54.934 54.840 -0.156 0.000 0.901 377 L CB -0.026 41.901 42.059 -0.219 0.000 1.098 377 L HN 0.212 nan 8.230 nan 0.000 0.456 378 K N -1.853 118.509 120.400 -0.064 0.000 3.341 378 K HA -0.215 4.105 4.320 -0.000 0.000 0.305 378 K C -0.091 176.545 176.600 0.060 0.000 1.270 378 K CA 0.526 56.795 56.287 -0.030 0.000 0.897 378 K CB -0.791 31.661 32.500 -0.079 0.000 1.264 378 K HN 0.243 nan 8.250 nan 0.000 0.468 379 W N 0.000 121.292 121.300 -0.013 0.000 2.388 379 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 379 W CA 0.000 57.338 57.345 -0.012 0.000 1.226 379 W CB 0.000 29.453 29.460 -0.012 0.000 1.126 379 W HN 0.000 nan 8.180 nan 0.000 0.535