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 7prn_1_A DATA FIRST_RESID 1 DATA SEQUENCE MISLNGYGRF GLQYVEDRGV GLEDTIISSR LRINIVGTTE TDQGVTFGAK DATA SEQUENCE LRMQWDDGDA FAGTAGNAAQ FWTSYNGVTV SVGNVDTAFD SVALTYASAM DATA SEQUENCE GYEASSFGDA QSSFFAYNSK YDASGALDNY NGIAVTYSIS GVNLYLSYVD DATA SEQUENCE PDQTVDSSLV TEEFGIAADW SNDMISLAAA YTTDAGGIVD NDIAFVGAAY DATA SEQUENCE KFNDAGTVGL NWYDNGLSTA GDQVTLYGNY AFGATTVRAY VSDIDRAGAD DATA SEQUENCE TAYGIGADYQ FAEGVKVSGS VQSGFANETV ADVGVRFDF 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.327 176.300 0.044 0.000 1.140 1 M CA 0.000 55.325 55.300 0.042 0.000 0.988 1 M CB 0.000 32.632 32.600 0.053 0.000 1.302 2 I N 3.430 124.026 120.570 0.045 0.000 2.436 2 I HA 0.571 4.743 4.170 0.004 0.000 0.289 2 I C -0.391 175.761 176.117 0.058 0.000 1.010 2 I CA -0.543 60.786 61.300 0.048 0.000 1.098 2 I CB 2.255 40.278 38.000 0.039 0.000 1.266 2 I HN 0.809 nan 8.210 nan 0.000 0.434 3 S N 7.044 122.787 115.700 0.072 0.000 2.568 3 S HA 0.760 5.233 4.470 0.004 0.000 0.293 3 S C -0.962 173.689 174.600 0.084 0.000 1.089 3 S CA -0.906 57.340 58.200 0.077 0.000 0.945 3 S CB 2.081 65.329 63.200 0.080 0.000 1.077 3 S HN 0.446 nan 8.310 nan 0.000 0.485 4 L N 2.690 123.967 121.223 0.090 0.000 2.329 4 L HA 0.638 4.980 4.340 0.004 0.000 0.279 4 L C -0.504 176.446 176.870 0.134 0.000 1.014 4 L CA -0.704 54.200 54.840 0.106 0.000 0.814 4 L CB 1.380 43.502 42.059 0.105 0.000 1.257 4 L HN 1.028 nan 8.230 nan 0.000 0.424 5 N N 1.158 119.939 118.700 0.134 0.000 2.647 5 N HA 0.902 5.644 4.740 0.004 0.000 0.266 5 N C -0.631 174.935 175.510 0.094 0.000 1.373 5 N CA -0.443 52.687 53.050 0.133 0.000 0.807 5 N CB 2.514 41.044 38.487 0.072 0.000 1.513 5 N HN 0.713 nan 8.380 nan 0.000 0.505 6 G N -1.648 107.100 108.800 -0.085 0.000 2.325 6 G HA2 0.438 4.400 3.960 0.004 0.000 0.295 6 G HA3 0.438 4.400 3.960 0.004 0.000 0.295 6 G C -2.271 172.095 174.900 -0.891 0.000 1.274 6 G CA -0.312 44.581 45.100 -0.346 0.000 0.857 6 G HN 1.167 nan 8.290 nan 0.000 0.499 7 Y N -2.209 117.567 120.300 -0.874 0.000 2.689 7 Y HA 0.829 5.381 4.550 0.004 0.000 0.333 7 Y C -0.094 175.473 175.900 -0.555 0.000 1.208 7 Y CA -1.099 56.375 58.100 -1.043 0.000 1.055 7 Y CB 1.146 39.274 38.460 -0.554 0.000 1.304 7 Y HN 1.382 nan 8.280 nan 0.000 0.455 8 G N 0.991 109.524 108.800 -0.445 0.000 2.591 8 G HA2 0.689 4.652 3.960 0.004 0.000 0.306 8 G HA3 0.689 4.652 3.960 0.004 0.000 0.306 8 G C -1.927 172.765 174.900 -0.346 0.000 1.334 8 G CA -1.446 43.441 45.100 -0.355 0.000 0.981 8 G HN 1.019 nan 8.290 nan 0.000 0.491 9 R N 0.249 120.831 120.500 0.138 0.000 2.604 9 R HA 0.770 5.112 4.340 0.004 0.000 0.281 9 R C -1.809 174.757 176.300 0.444 0.000 1.020 9 R CA -0.936 55.312 56.100 0.247 0.000 0.899 9 R CB 1.683 32.143 30.300 0.267 0.000 1.205 9 R HN 0.760 nan 8.270 nan 0.000 0.450 10 F N -0.228 119.862 119.950 0.233 0.000 2.608 10 F HA 0.922 5.452 4.527 0.004 0.000 0.309 10 F C -0.554 175.113 175.800 -0.222 0.000 1.103 10 F CA -0.406 57.690 58.000 0.159 0.000 0.954 10 F CB 1.972 41.082 39.000 0.183 0.000 1.267 10 F HN 0.929 nan 8.300 nan 0.000 0.444 11 G N 1.809 110.553 108.800 -0.093 0.000 2.494 11 G HA2 0.508 4.470 3.960 0.004 0.000 0.308 11 G HA3 0.508 4.470 3.960 0.004 0.000 0.308 11 G C -2.379 172.550 174.900 0.048 0.000 1.263 11 G CA -1.112 43.710 45.100 -0.462 0.000 0.840 11 G HN 0.814 nan 8.290 nan 0.000 0.479 12 L N 0.623 121.892 121.223 0.077 0.000 2.325 12 L HA 0.676 5.019 4.340 0.004 0.000 0.278 12 L C -0.096 176.952 176.870 0.297 0.000 1.023 12 L CA -0.639 54.309 54.840 0.181 0.000 0.811 12 L CB 2.018 44.145 42.059 0.112 0.000 1.249 12 L HN 0.544 nan 8.230 nan 0.000 0.431 13 Q N 2.931 122.873 119.800 0.237 0.000 2.290 13 Q HA 0.276 4.619 4.340 0.004 0.000 0.269 13 Q C -2.052 174.049 176.000 0.167 0.000 1.016 13 Q CA -0.657 55.258 55.803 0.187 0.000 0.754 13 Q CB 2.128 30.928 28.738 0.103 0.000 1.247 13 Q HN 0.592 nan 8.270 nan 0.000 0.451 14 Y N 3.839 124.169 120.300 0.051 0.000 2.335 14 Y HA 0.571 5.123 4.550 0.004 0.000 0.338 14 Y C -1.701 174.213 175.900 0.024 0.000 0.977 14 Y CA -0.580 57.542 58.100 0.036 0.000 1.114 14 Y CB 1.359 39.842 38.460 0.038 0.000 1.182 14 Y HN 0.329 nan 8.280 nan 0.000 0.463 15 V N 6.677 126.185 119.914 -0.677 0.000 2.443 15 V HA 0.195 4.317 4.120 0.004 0.000 0.293 15 V C -0.331 175.267 176.094 -0.826 0.000 1.021 15 V CA -1.104 60.850 62.300 -0.576 0.000 0.848 15 V CB 1.446 33.114 31.823 -0.258 0.000 0.998 15 V HN 0.814 nan 8.190 nan 0.000 0.424 16 E N 4.167 123.931 120.200 -0.727 0.000 2.480 16 E HA -0.004 4.349 4.350 0.004 0.000 0.258 16 E C -0.237 176.241 176.600 -0.203 0.000 0.984 16 E CA 0.126 56.283 56.400 -0.406 0.000 0.930 16 E CB 0.226 29.878 29.700 -0.081 0.000 0.936 16 E HN 0.728 nan 8.360 nan 0.000 0.466 17 D N 3.258 123.580 120.400 -0.129 0.000 2.735 17 D HA -0.251 4.392 4.640 0.004 0.000 0.235 17 D C 0.764 177.015 176.300 -0.081 0.000 1.175 17 D CA 0.680 54.639 54.000 -0.069 0.000 0.683 17 D CB -0.574 40.208 40.800 -0.031 0.000 1.008 17 D HN 0.623 nan 8.370 nan 0.000 0.416 18 R N 0.164 120.599 120.500 -0.108 0.000 2.139 18 R HA -0.041 4.301 4.340 0.004 0.000 0.243 18 R C 1.249 177.516 176.300 -0.054 0.000 1.145 18 R CA 1.683 57.730 56.100 -0.088 0.000 0.976 18 R CB 0.142 30.386 30.300 -0.092 0.000 0.866 18 R HN 0.473 nan 8.270 nan 0.000 0.449 19 G N -1.609 107.167 108.800 -0.040 0.000 2.358 19 G HA2 0.119 4.082 3.960 0.004 0.000 0.301 19 G HA3 0.119 4.082 3.960 0.004 0.000 0.301 19 G C -1.259 173.631 174.900 -0.018 0.000 1.539 19 G CA -0.667 44.417 45.100 -0.027 0.000 0.893 19 G HN 0.049 nan 8.290 nan 0.000 0.636 20 V N 0.809 120.715 119.914 -0.013 0.000 2.493 20 V HA 0.419 4.541 4.120 0.004 0.000 0.292 20 V C 1.774 177.864 176.094 -0.006 0.000 1.016 20 V CA 1.180 63.476 62.300 -0.007 0.000 1.097 20 V CB 0.248 32.068 31.823 -0.006 0.000 0.947 20 V HN 2.687 nan 8.190 nan 0.000 0.479 21 G N 3.752 112.550 108.800 -0.002 0.000 2.160 21 G HA2 -0.224 3.738 3.960 0.004 0.000 0.251 21 G HA3 -0.224 3.738 3.960 0.004 0.000 0.251 21 G C -0.250 174.649 174.900 -0.001 0.000 1.008 21 G CA 0.267 45.367 45.100 -0.000 0.000 0.724 21 G HN 0.678 nan 8.290 nan 0.000 0.514 22 L N -0.254 120.966 121.223 -0.004 0.000 2.346 22 L HA 0.619 4.962 4.340 0.004 0.000 0.276 22 L C 0.331 177.200 176.870 -0.001 0.000 1.006 22 L CA -1.207 53.629 54.840 -0.007 0.000 0.817 22 L CB 1.752 43.800 42.059 -0.019 0.000 1.272 22 L HN 0.091 nan 8.230 nan 0.000 0.421 23 E N 1.222 121.426 120.200 0.007 0.000 2.344 23 E HA -0.004 4.348 4.350 0.004 0.000 0.270 23 E C 0.232 176.841 176.600 0.015 0.000 1.021 23 E CA 0.138 56.552 56.400 0.022 0.000 0.887 23 E CB 0.789 30.508 29.700 0.031 0.000 0.997 23 E HN 0.395 nan 8.360 nan 0.000 0.429 24 D N 2.115 122.532 120.400 0.029 0.000 2.183 24 D HA -0.044 4.598 4.640 0.004 0.000 0.203 24 D C -0.126 176.199 176.300 0.041 0.000 0.969 24 D CA 0.972 54.960 54.000 -0.020 0.000 0.842 24 D CB 0.229 41.020 40.800 -0.015 0.000 0.957 24 D HN 0.296 nan 8.370 nan 0.000 0.484 25 T N 1.373 116.009 114.554 0.136 0.000 2.758 25 T HA 0.535 4.888 4.350 0.004 0.000 0.285 25 T C 0.402 175.166 174.700 0.106 0.000 0.981 25 T CA -0.589 61.611 62.100 0.168 0.000 0.965 25 T CB 1.215 70.200 68.868 0.195 0.000 0.927 25 T HN -0.000 nan 8.240 nan 0.000 0.448 26 I N -0.015 120.613 120.570 0.098 0.000 3.264 26 I HA 0.700 4.873 4.170 0.004 0.000 0.309 26 I C -0.819 175.367 176.117 0.116 0.000 1.099 26 I CA -1.662 59.690 61.300 0.086 0.000 0.989 26 I CB 1.477 39.513 38.000 0.060 0.000 1.250 26 I HN 0.406 nan 8.210 nan 0.000 0.478 27 I N 2.283 122.926 120.570 0.121 0.000 2.297 27 I HA 0.264 4.436 4.170 0.004 0.000 0.291 27 I C 0.071 176.301 176.117 0.188 0.000 1.033 27 I CA 0.043 61.441 61.300 0.162 0.000 1.253 27 I CB 1.191 39.278 38.000 0.144 0.000 1.396 27 I HN 0.622 nan 8.210 nan 0.000 0.476 28 S N 5.506 121.351 115.700 0.243 0.000 2.475 28 S HA 0.789 5.262 4.470 0.004 0.000 0.298 28 S C -0.335 174.456 174.600 0.318 0.000 1.119 28 S CA -0.388 57.931 58.200 0.198 0.000 1.085 28 S CB 1.023 64.294 63.200 0.118 0.000 1.028 28 S HN 0.674 nan 8.310 nan 0.000 0.489 29 S N 3.594 119.434 115.700 0.234 0.000 2.607 29 S HA 0.759 5.232 4.470 0.004 0.000 0.273 29 S C -1.021 173.707 174.600 0.213 0.000 1.148 29 S CA -1.111 57.300 58.200 0.351 0.000 0.833 29 S CB 1.704 65.197 63.200 0.487 0.000 1.130 29 S HN 1.005 nan 8.310 nan 0.000 0.470 30 R N 0.297 120.971 120.500 0.290 0.000 2.584 30 R HA 0.678 5.021 4.340 0.004 0.000 0.276 30 R C -2.373 174.063 176.300 0.227 0.000 1.046 30 R CA -0.877 55.333 56.100 0.184 0.000 0.906 30 R CB 1.529 31.877 30.300 0.079 0.000 1.215 30 R HN 0.746 nan 8.270 nan 0.000 0.449 31 L N 3.796 125.176 121.223 0.261 0.000 2.325 31 L HA 0.594 4.936 4.340 0.004 0.000 0.281 31 L C -1.169 175.693 176.870 -0.015 0.000 1.004 31 L CA -0.272 54.660 54.840 0.154 0.000 0.823 31 L CB 1.477 43.688 42.059 0.253 0.000 1.236 31 L HN 0.718 nan 8.230 nan 0.000 0.415 32 R N 5.674 126.013 120.500 -0.268 0.000 2.480 32 R HA 0.713 5.055 4.340 0.004 0.000 0.306 32 R C -1.688 174.529 176.300 -0.138 0.000 0.958 32 R CA -0.586 55.321 56.100 -0.322 0.000 0.861 32 R CB 1.111 30.988 30.300 -0.705 0.000 1.171 32 R HN 0.791 nan 8.270 nan 0.000 0.445 33 I N 4.023 124.590 120.570 -0.005 0.000 2.418 33 I HA 0.312 4.485 4.170 0.004 0.000 0.287 33 I C -0.663 175.486 176.117 0.054 0.000 1.008 33 I CA -0.921 60.426 61.300 0.079 0.000 1.104 33 I CB 1.942 40.014 38.000 0.120 0.000 1.264 33 I HN 0.493 nan 8.210 nan 0.000 0.438 34 N N 7.447 126.182 118.700 0.058 0.000 2.430 34 N HA 0.586 5.329 4.740 0.004 0.000 0.292 34 N C -0.840 174.720 175.510 0.082 0.000 1.051 34 N CA -0.376 52.713 53.050 0.065 0.000 0.917 34 N CB 2.450 40.964 38.487 0.046 0.000 1.164 34 N HN 0.438 nan 8.380 nan 0.000 0.484 35 I N 1.584 122.204 120.570 0.083 0.000 2.382 35 I HA 0.305 4.477 4.170 0.004 0.000 0.286 35 I C -0.531 175.640 176.117 0.090 0.000 1.002 35 I CA -0.924 60.423 61.300 0.078 0.000 1.135 35 I CB 1.641 39.678 38.000 0.061 0.000 1.288 35 I HN -0.046 nan 8.210 nan 0.000 0.448 36 V N 5.043 125.018 119.914 0.103 0.000 2.384 36 V HA 0.612 4.735 4.120 0.004 0.000 0.287 36 V C 0.521 176.670 176.094 0.092 0.000 1.020 36 V CA -0.458 61.925 62.300 0.138 0.000 0.850 36 V CB 1.642 33.585 31.823 0.199 0.000 0.987 36 V HN 0.886 nan 8.190 nan 0.000 0.436 37 G N 2.833 111.656 108.800 0.038 0.000 2.417 37 G HA2 0.696 4.659 3.960 0.004 0.000 0.320 37 G HA3 0.696 4.659 3.960 0.004 0.000 0.320 37 G C -0.282 174.601 174.900 -0.028 0.000 1.204 37 G CA -0.323 44.781 45.100 0.008 0.000 0.923 37 G HN 0.774 nan 8.290 nan 0.000 0.466 38 T N -1.447 113.121 114.554 0.022 0.000 2.909 38 T HA 0.716 5.068 4.350 0.004 0.000 0.299 38 T C -0.573 174.161 174.700 0.056 0.000 1.073 38 T CA -0.765 61.350 62.100 0.025 0.000 0.999 38 T CB 2.217 71.155 68.868 0.116 0.000 1.098 38 T HN 0.310 nan 8.240 nan 0.000 0.477 39 T N 2.579 117.186 114.554 0.087 0.000 2.833 39 T HA 0.427 4.779 4.350 0.004 0.000 0.297 39 T C -0.503 174.305 174.700 0.181 0.000 1.015 39 T CA -0.695 61.474 62.100 0.114 0.000 0.963 39 T CB 0.965 69.893 68.868 0.099 0.000 0.955 39 T HN 0.686 nan 8.240 nan 0.000 0.449 40 E N 2.085 122.369 120.200 0.140 0.000 2.277 40 E HA 0.573 4.926 4.350 0.004 0.000 0.274 40 E C 0.223 176.906 176.600 0.139 0.000 1.022 40 E CA -0.826 55.658 56.400 0.140 0.000 0.853 40 E CB 1.191 30.953 29.700 0.105 0.000 1.086 40 E HN 0.657 nan 8.360 nan 0.000 0.397 41 T N -1.869 112.774 114.554 0.148 0.000 2.916 41 T HA 0.191 4.544 4.350 0.004 0.000 0.292 41 T C 0.297 175.058 174.700 0.103 0.000 1.064 41 T CA -0.903 61.275 62.100 0.130 0.000 1.011 41 T CB 1.271 70.243 68.868 0.174 0.000 1.152 41 T HN 0.419 nan 8.240 nan 0.000 0.510 42 D N -0.127 120.322 120.400 0.081 0.000 2.363 42 D HA -0.068 4.575 4.640 0.004 0.000 0.220 42 D C 1.421 177.769 176.300 0.081 0.000 0.994 42 D CA 0.447 54.490 54.000 0.071 0.000 0.890 42 D CB -0.122 40.711 40.800 0.054 0.000 0.906 42 D HN 0.476 nan 8.370 nan 0.000 0.530 43 Q N 0.036 119.890 119.800 0.089 0.000 2.403 43 Q HA 0.200 4.542 4.340 0.004 0.000 0.203 43 Q C 1.395 177.489 176.000 0.157 0.000 0.932 43 Q CA 0.698 56.556 55.803 0.092 0.000 0.945 43 Q CB 0.439 29.206 28.738 0.048 0.000 1.045 43 Q HN 0.507 nan 8.270 nan 0.000 0.511 44 G N 0.566 109.465 108.800 0.165 0.000 2.143 44 G HA2 -0.243 3.720 3.960 0.004 0.000 0.249 44 G HA3 -0.243 3.720 3.960 0.004 0.000 0.249 44 G C 0.064 175.137 174.900 0.288 0.000 0.981 44 G CA 0.215 45.449 45.100 0.222 0.000 0.665 44 G HN 0.233 nan 8.290 nan 0.000 0.528 45 V N 1.478 121.488 119.914 0.160 0.000 2.383 45 V HA 0.573 4.696 4.120 0.004 0.000 0.275 45 V C 0.623 176.689 176.094 -0.046 0.000 1.036 45 V CA 0.037 62.347 62.300 0.017 0.000 0.889 45 V CB 1.541 33.267 31.823 -0.162 0.000 0.985 45 V HN 0.268 nan 8.190 nan 0.000 0.459 46 T N 6.350 120.859 114.554 -0.074 0.000 2.767 46 T HA 0.588 4.941 4.350 0.004 0.000 0.284 46 T C -0.501 174.063 174.700 -0.227 0.000 0.973 46 T CA 0.008 62.107 62.100 -0.003 0.000 0.996 46 T CB 0.303 69.243 68.868 0.119 0.000 0.927 46 T HN 0.287 nan 8.240 nan 0.000 0.456 47 F N 1.737 121.682 119.950 -0.008 0.000 2.421 47 F HA 0.694 5.224 4.527 0.004 0.000 0.337 47 F C 0.993 176.567 175.800 -0.377 0.000 1.105 47 F CA -0.458 57.455 58.000 -0.145 0.000 1.049 47 F CB 1.675 40.613 39.000 -0.103 0.000 1.139 47 F HN 0.668 nan 8.300 nan 0.000 0.479 48 G N 0.349 108.669 108.800 -0.800 0.000 2.672 48 G HA2 0.806 4.768 3.960 0.004 0.000 0.292 48 G HA3 0.806 4.768 3.960 0.004 0.000 0.292 48 G C -2.151 171.944 174.900 -1.341 0.000 1.375 48 G CA -0.893 43.406 45.100 -1.336 0.000 0.890 48 G HN 0.890 nan 8.290 nan 0.000 0.476 49 A N 0.363 122.612 122.820 -0.951 0.000 2.574 49 A HA 0.884 5.206 4.320 0.004 0.000 0.297 49 A C -0.726 176.750 177.584 -0.180 0.000 1.062 49 A CA -0.640 51.086 52.037 -0.517 0.000 0.686 49 A CB 2.078 20.878 19.000 -0.333 0.000 1.285 49 A HN 1.210 nan 8.150 nan 0.000 0.403 50 K N 0.965 121.358 120.400 -0.011 0.000 2.512 50 K HA 0.855 5.178 4.320 0.004 0.000 0.263 50 K C -2.209 174.421 176.600 0.050 0.000 0.966 50 K CA -0.716 55.642 56.287 0.118 0.000 0.851 50 K CB 2.007 34.675 32.500 0.280 0.000 1.395 50 K HN 0.852 nan 8.250 nan 0.000 0.440 51 L N 0.939 122.208 121.223 0.076 0.000 2.409 51 L HA 0.602 4.944 4.340 0.004 0.000 0.262 51 L C -1.442 175.493 176.870 0.109 0.000 0.992 51 L CA -0.450 54.433 54.840 0.072 0.000 0.817 51 L CB 2.326 44.403 42.059 0.031 0.000 1.350 51 L HN 0.880 nan 8.230 nan 0.000 0.411 52 R N 4.208 124.778 120.500 0.116 0.000 2.621 52 R HA 0.768 5.110 4.340 0.004 0.000 0.292 52 R C -1.799 174.549 176.300 0.080 0.000 0.969 52 R CA -0.604 55.564 56.100 0.114 0.000 0.887 52 R CB 1.630 32.036 30.300 0.177 0.000 1.180 52 R HN 0.772 nan 8.270 nan 0.000 0.450 53 M N 3.741 123.384 119.600 0.072 0.000 2.134 53 M HA 0.303 4.786 4.480 0.004 0.000 0.310 53 M C -1.077 175.268 176.300 0.074 0.000 0.966 53 M CA -0.429 54.920 55.300 0.081 0.000 0.922 53 M CB 2.209 34.857 32.600 0.080 0.000 1.537 53 M HN 0.512 nan 8.290 nan 0.000 0.424 54 Q N 2.667 122.517 119.800 0.084 0.000 2.292 54 Q HA 0.409 4.752 4.340 0.004 0.000 0.270 54 Q C -2.181 173.896 176.000 0.129 0.000 1.024 54 Q CA -0.555 55.286 55.803 0.063 0.000 0.768 54 Q CB 2.461 31.193 28.738 -0.011 0.000 1.250 54 Q HN 0.762 nan 8.270 nan 0.000 0.447 55 W N 4.722 126.015 121.300 -0.012 0.000 2.587 55 W HA 0.496 5.158 4.660 0.004 0.000 0.324 55 W C -1.341 175.177 176.519 -0.003 0.000 1.040 55 W CA -0.304 57.046 57.345 0.008 0.000 1.222 55 W CB 1.347 30.823 29.460 0.026 0.000 1.381 55 W HN 0.530 nan 8.180 nan 0.000 0.483 56 D N 4.453 124.237 120.400 -1.027 0.000 2.671 56 D HA 0.061 4.704 4.640 0.004 0.000 0.232 56 D C -0.679 174.608 176.300 -1.689 0.000 1.114 56 D CA -0.364 53.006 54.000 -1.050 0.000 0.858 56 D CB 2.057 42.547 40.800 -0.515 0.000 1.544 56 D HN 0.512 nan 8.370 nan 0.000 0.471 57 D N -0.303 119.341 120.400 -1.260 0.000 2.455 57 D HA 0.154 4.796 4.640 0.004 0.000 0.241 57 D C 0.995 177.050 176.300 -0.409 0.000 1.138 57 D CA 0.185 53.737 54.000 -0.746 0.000 0.877 57 D CB 1.409 42.086 40.800 -0.206 0.000 1.187 57 D HN 0.672 nan 8.370 nan 0.000 0.451 58 G N 2.350 111.027 108.800 -0.204 0.000 2.195 58 G HA2 -0.242 3.720 3.960 0.004 0.000 0.246 58 G HA3 -0.242 3.720 3.960 0.004 0.000 0.246 58 G C 0.021 174.830 174.900 -0.151 0.000 0.984 58 G CA 0.101 45.121 45.100 -0.134 0.000 0.633 58 G HN 0.674 nan 8.290 nan 0.000 0.525 59 D N 1.518 121.786 120.400 -0.221 0.000 2.488 59 D HA 0.499 5.141 4.640 0.004 0.000 0.238 59 D C 1.086 177.363 176.300 -0.038 0.000 1.138 59 D CA 0.903 54.816 54.000 -0.146 0.000 0.873 59 D CB 0.983 41.691 40.800 -0.154 0.000 1.183 59 D HN 0.830 nan 8.370 nan 0.000 0.458 60 A N 2.479 125.228 122.820 -0.118 0.000 2.565 60 A HA 0.165 4.487 4.320 0.004 0.000 0.237 60 A C 0.389 177.877 177.584 -0.160 0.000 1.053 60 A CA -0.040 51.780 52.037 -0.361 0.000 0.755 60 A CB -0.498 18.157 19.000 -0.574 0.000 0.980 60 A HN 0.625 nan 8.150 nan 0.000 0.506 61 F N -0.314 119.696 119.950 0.100 0.000 2.935 61 F HA -0.281 4.248 4.527 0.004 0.000 0.317 61 F C 1.364 177.230 175.800 0.110 0.000 0.699 61 F CA 1.306 59.358 58.000 0.087 0.000 1.127 61 F CB -2.141 36.898 39.000 0.064 0.000 1.491 61 F HN 2.017 nan 8.300 nan 0.000 0.337 62 A N -0.767 122.212 122.820 0.265 0.000 2.687 62 A HA 0.204 4.526 4.320 0.004 0.000 0.299 62 A C 0.990 178.728 177.584 0.257 0.000 1.497 62 A CA 1.485 53.698 52.037 0.294 0.000 0.751 62 A CB -1.655 17.457 19.000 0.188 0.000 1.048 62 A HN 2.032 nan 8.150 nan 0.000 0.464 63 G N -1.871 107.129 108.800 0.333 0.000 2.798 63 G HA2 0.873 4.836 3.960 0.004 0.000 0.286 63 G HA3 0.873 4.836 3.960 0.004 0.000 0.286 63 G C -0.737 174.361 174.900 0.330 0.000 1.389 63 G CA 0.241 45.487 45.100 0.243 0.000 0.894 63 G HN 0.928 nan 8.290 nan 0.000 0.488 64 T N -0.524 114.165 114.554 0.225 0.000 2.952 64 T HA 0.753 5.106 4.350 0.004 0.000 0.305 64 T C -0.303 174.485 174.700 0.147 0.000 1.064 64 T CA 0.064 62.305 62.100 0.235 0.000 1.008 64 T CB 1.662 70.643 68.868 0.187 0.000 1.078 64 T HN 1.280 nan 8.240 nan 0.000 0.459 65 A N 1.567 124.489 122.820 0.170 0.000 2.530 65 A HA 1.007 5.329 4.320 0.004 0.000 0.288 65 A C 0.179 177.832 177.584 0.116 0.000 1.172 65 A CA -0.638 51.456 52.037 0.095 0.000 0.733 65 A CB 1.146 20.157 19.000 0.018 0.000 1.320 65 A HN 1.035 nan 8.150 nan 0.000 0.419 66 G N 0.042 108.887 108.800 0.075 0.000 2.504 66 G HA2 0.463 4.425 3.960 0.004 0.000 0.288 66 G HA3 0.463 4.425 3.960 0.004 0.000 0.288 66 G C -0.049 174.899 174.900 0.080 0.000 1.182 66 G CA -0.195 44.949 45.100 0.072 0.000 0.894 66 G HN 0.994 nan 8.290 nan 0.000 0.521 67 N N -0.405 118.323 118.700 0.047 0.000 2.531 67 N HA 0.559 5.302 4.740 0.004 0.000 0.301 67 N C 0.078 175.583 175.510 -0.009 0.000 1.310 67 N CA -0.164 52.887 53.050 0.002 0.000 0.949 67 N CB 0.127 38.553 38.487 -0.103 0.000 1.111 67 N HN 0.628 nan 8.380 nan 0.000 0.565 68 A N -1.154 121.638 122.820 -0.047 0.000 2.316 68 A HA 0.667 4.990 4.320 0.004 0.000 0.284 68 A C 0.367 177.943 177.584 -0.013 0.000 1.115 68 A CA -0.392 51.637 52.037 -0.014 0.000 0.812 68 A CB -0.296 18.695 19.000 -0.015 0.000 1.064 68 A HN 0.918 nan 8.150 nan 0.000 0.489 69 A N 0.843 123.657 122.820 -0.010 0.000 2.386 69 A HA 0.520 4.842 4.320 0.004 0.000 0.246 69 A C 0.244 177.777 177.584 -0.084 0.000 1.089 69 A CA 0.013 51.965 52.037 -0.142 0.000 0.790 69 A CB 0.216 18.955 19.000 -0.434 0.000 1.042 69 A HN 0.917 nan 8.150 nan 0.000 0.497 70 Q N 0.132 119.821 119.800 -0.185 0.000 2.304 70 Q HA 0.601 4.944 4.340 0.004 0.000 0.270 70 Q C -2.056 173.843 176.000 -0.169 0.000 1.035 70 Q CA -0.344 55.481 55.803 0.038 0.000 0.781 70 Q CB 1.035 29.961 28.738 0.314 0.000 1.261 70 Q HN 0.593 nan 8.270 nan 0.000 0.444 71 F N 2.763 122.865 119.950 0.253 0.000 2.522 71 F HA 0.758 5.288 4.527 0.004 0.000 0.324 71 F C -0.525 175.458 175.800 0.304 0.000 1.077 71 F CA -0.573 57.513 58.000 0.143 0.000 0.944 71 F CB 1.162 40.210 39.000 0.080 0.000 1.175 71 F HN 0.600 nan 8.300 nan 0.000 0.468 72 W N -0.195 121.277 121.300 0.286 0.000 3.118 72 W HA 0.806 5.469 4.660 0.004 0.000 0.328 72 W C -2.185 174.400 176.519 0.110 0.000 1.239 72 W CA -1.192 56.257 57.345 0.174 0.000 1.176 72 W CB 1.216 30.743 29.460 0.112 0.000 1.433 72 W HN 0.402 nan 8.180 nan 0.000 0.562 73 T N 2.425 117.132 114.554 0.255 0.000 2.879 73 T HA 0.598 4.951 4.350 0.004 0.000 0.290 73 T C -1.064 173.701 174.700 0.107 0.000 0.993 73 T CA -0.676 61.404 62.100 -0.034 0.000 0.975 73 T CB 1.438 70.201 68.868 -0.175 0.000 0.981 73 T HN 0.450 nan 8.240 nan 0.000 0.439 74 S N 2.389 118.139 115.700 0.083 0.000 2.500 74 S HA 0.749 5.221 4.470 0.004 0.000 0.301 74 S C -1.641 173.051 174.600 0.152 0.000 1.092 74 S CA -0.741 57.541 58.200 0.137 0.000 1.030 74 S CB 1.235 64.542 63.200 0.178 0.000 1.031 74 S HN 0.699 nan 8.310 nan 0.000 0.483 75 Y N 2.334 122.628 120.300 -0.009 0.000 2.299 75 Y HA 0.316 4.869 4.550 0.004 0.000 0.318 75 Y C -0.374 175.533 175.900 0.010 0.000 1.205 75 Y CA -0.852 57.240 58.100 -0.014 0.000 1.106 75 Y CB 0.553 38.990 38.460 -0.038 0.000 1.246 75 Y HN 0.830 nan 8.280 nan 0.000 0.415 76 N N 4.298 122.696 118.700 -0.503 0.000 2.727 76 N HA -0.155 4.588 4.740 0.004 0.000 0.251 76 N C 0.907 176.342 175.510 -0.126 0.000 1.040 76 N CA 2.160 54.959 53.050 -0.417 0.000 0.712 76 N CB -0.919 37.169 38.487 -0.666 0.000 0.912 76 N HN 1.546 nan 8.380 nan 0.000 0.545 77 G N -2.942 105.835 108.800 -0.040 0.000 2.234 77 G HA2 -0.319 3.644 3.960 0.004 0.000 0.260 77 G HA3 -0.319 3.644 3.960 0.004 0.000 0.260 77 G C 0.139 175.125 174.900 0.143 0.000 0.987 77 G CA 0.338 45.470 45.100 0.053 0.000 0.625 77 G HN 0.679 nan 8.290 nan 0.000 0.532 78 V N 1.039 121.016 119.914 0.104 0.000 2.481 78 V HA 0.744 4.867 4.120 0.004 0.000 0.286 78 V C 0.300 176.447 176.094 0.090 0.000 1.042 78 V CA -0.001 62.360 62.300 0.102 0.000 0.928 78 V CB 1.698 33.535 31.823 0.023 0.000 0.986 78 V HN 0.273 nan 8.190 nan 0.000 0.462 79 T N 3.552 118.158 114.554 0.086 0.000 2.879 79 T HA 0.556 4.908 4.350 0.004 0.000 0.290 79 T C -0.558 174.212 174.700 0.117 0.000 0.993 79 T CA -0.387 61.773 62.100 0.099 0.000 0.975 79 T CB 1.644 70.535 68.868 0.039 0.000 0.981 79 T HN 0.415 nan 8.240 nan 0.000 0.439 80 V N 3.730 123.735 119.914 0.151 0.000 2.417 80 V HA 0.719 4.842 4.120 0.004 0.000 0.291 80 V C 0.095 176.330 176.094 0.235 0.000 1.024 80 V CA -0.781 61.616 62.300 0.162 0.000 0.861 80 V CB 1.493 33.393 31.823 0.129 0.000 0.985 80 V HN 1.052 nan 8.190 nan 0.000 0.436 81 S N 3.717 119.561 115.700 0.240 0.000 2.568 81 S HA 0.923 5.396 4.470 0.004 0.000 0.293 81 S C -0.890 173.878 174.600 0.280 0.000 1.089 81 S CA -0.799 57.589 58.200 0.313 0.000 0.945 81 S CB 2.159 65.551 63.200 0.319 0.000 1.077 81 S HN 0.436 nan 8.310 nan 0.000 0.485 82 V N 1.038 121.150 119.914 0.330 0.000 2.876 82 V HA 0.915 5.038 4.120 0.004 0.000 0.312 82 V C 0.994 177.318 176.094 0.384 0.000 1.085 82 V CA 0.247 62.732 62.300 0.308 0.000 0.945 82 V CB 0.819 32.799 31.823 0.263 0.000 1.017 82 V HN 1.634 nan 8.190 nan 0.000 0.428 83 G N 3.410 112.390 108.800 0.300 0.000 2.947 83 G HA2 -0.235 3.727 3.960 0.004 0.000 0.251 83 G HA3 -0.235 3.727 3.960 0.004 0.000 0.251 83 G C 0.085 175.148 174.900 0.271 0.000 1.481 83 G CA 0.336 45.617 45.100 0.302 0.000 1.006 83 G HN 0.941 nan 8.290 nan 0.000 0.561 84 N N 1.753 120.615 118.700 0.270 0.000 2.868 84 N HA 0.448 5.191 4.740 0.004 0.000 0.252 84 N C 0.529 176.254 175.510 0.359 0.000 1.130 84 N CA 0.462 53.664 53.050 0.254 0.000 1.026 84 N CB 0.082 38.611 38.487 0.069 0.000 1.335 84 N HN 1.210 nan 8.380 nan 0.000 0.516 85 V N -0.531 119.587 119.914 0.340 0.000 3.134 85 V HA 0.515 4.637 4.120 0.004 0.000 0.313 85 V C 0.408 176.708 176.094 0.344 0.000 1.069 85 V CA -0.928 61.566 62.300 0.323 0.000 1.048 85 V CB 1.113 33.084 31.823 0.246 0.000 1.119 85 V HN 0.267 nan 8.190 nan 0.000 0.461 86 D N 1.990 122.543 120.400 0.255 0.000 2.350 86 D HA 0.370 5.013 4.640 0.004 0.000 0.249 86 D C 0.418 176.842 176.300 0.207 0.000 1.119 86 D CA 0.296 54.423 54.000 0.211 0.000 0.886 86 D CB 1.695 42.553 40.800 0.097 0.000 1.195 86 D HN 0.977 nan 8.370 nan 0.000 0.437 87 T N -1.969 112.716 114.554 0.219 0.000 2.944 87 T HA 0.522 4.875 4.350 0.004 0.000 0.284 87 T C 1.270 176.040 174.700 0.116 0.000 1.010 87 T CA -0.690 61.527 62.100 0.195 0.000 1.025 87 T CB 1.777 70.805 68.868 0.265 0.000 1.079 87 T HN 0.261 nan 8.240 nan 0.000 0.516 88 A N 0.773 123.646 122.820 0.087 0.000 1.865 88 A HA 0.002 4.325 4.320 0.004 0.000 0.217 88 A C 1.888 179.427 177.584 -0.076 0.000 1.191 88 A CA 1.400 53.441 52.037 0.008 0.000 0.623 88 A CB -1.292 17.732 19.000 0.039 0.000 0.826 88 A HN 0.852 nan 8.150 nan 0.000 0.444 89 F N 0.507 120.351 119.950 -0.177 0.000 2.234 89 F HA -0.121 4.409 4.527 0.004 0.000 0.299 89 F C 1.807 177.384 175.800 -0.372 0.000 1.087 89 F CA 1.930 59.738 58.000 -0.320 0.000 1.340 89 F CB -0.096 38.587 39.000 -0.528 0.000 1.031 89 F HN 0.373 nan 8.300 nan 0.000 0.500 90 D N -1.391 119.020 120.400 0.018 0.000 2.289 90 D HA -0.053 4.590 4.640 0.004 0.000 0.207 90 D C 1.822 178.149 176.300 0.045 0.000 0.966 90 D CA 1.013 55.115 54.000 0.169 0.000 0.868 90 D CB 0.141 41.193 40.800 0.421 0.000 0.943 90 D HN 0.128 nan 8.370 nan 0.000 0.514 91 S N -0.486 115.130 115.700 -0.139 0.000 2.517 91 S HA 0.104 4.576 4.470 0.004 0.000 0.214 91 S C 0.641 174.926 174.600 -0.525 0.000 0.991 91 S CA -0.221 57.830 58.200 -0.248 0.000 0.906 91 S CB 0.438 63.491 63.200 -0.245 0.000 0.789 91 S HN 0.188 nan 8.310 nan 0.000 0.513 92 V N 1.523 121.045 119.914 -0.653 0.000 3.139 92 V HA 0.542 4.665 4.120 0.004 0.000 0.307 92 V C 0.766 176.732 176.094 -0.213 0.000 1.095 92 V CA -1.149 60.825 62.300 -0.543 0.000 1.160 92 V CB -0.362 31.318 31.823 -0.239 0.000 1.003 92 V HN 0.309 nan 8.190 nan 0.000 0.489 93 A N 2.662 125.465 122.820 -0.028 0.000 2.346 93 A HA 0.620 4.942 4.320 0.004 0.000 0.252 93 A C 1.076 178.691 177.584 0.053 0.000 1.089 93 A CA 0.225 52.279 52.037 0.027 0.000 0.797 93 A CB -0.206 18.844 19.000 0.083 0.000 1.047 93 A HN 1.522 nan 8.150 nan 0.000 0.494 94 L N -1.252 119.991 121.223 0.032 0.000 4.733 94 L HA -0.290 4.053 4.340 0.004 0.000 0.388 94 L C 1.933 178.717 176.870 -0.143 0.000 0.773 94 L CA 1.611 56.490 54.840 0.065 0.000 2.353 94 L CB -1.898 40.319 42.059 0.263 0.000 1.139 94 L HN 0.856 nan 8.230 nan 0.000 0.635 95 T N -1.300 112.970 114.554 -0.474 0.000 2.962 95 T HA -0.077 4.275 4.350 0.004 0.000 0.270 95 T C 0.949 175.179 174.700 -0.784 0.000 1.088 95 T CA 1.671 63.168 62.100 -1.005 0.000 1.127 95 T CB -0.182 67.724 68.868 -1.604 0.000 0.883 95 T HN 0.422 nan 8.240 nan 0.000 0.493 96 Y N -0.121 120.005 120.300 -0.289 0.000 2.681 96 Y HA 0.619 5.172 4.550 0.004 0.000 0.267 96 Y C 1.740 177.472 175.900 -0.280 0.000 1.166 96 Y CA -0.711 57.237 58.100 -0.254 0.000 1.209 96 Y CB -0.309 38.032 38.460 -0.198 0.000 1.161 96 Y HN 0.192 nan 8.280 nan 0.000 0.534 97 A N -0.255 122.402 122.820 -0.272 0.000 2.209 97 A HA -0.076 4.246 4.320 0.004 0.000 0.212 97 A C 1.986 179.206 177.584 -0.607 0.000 1.158 97 A CA 1.458 53.251 52.037 -0.407 0.000 0.742 97 A CB -0.469 18.226 19.000 -0.508 0.000 0.790 97 A HN 0.350 nan 8.150 nan 0.000 0.472 98 S N -0.891 114.474 115.700 -0.557 0.000 2.556 98 S HA 0.557 5.030 4.470 0.004 0.000 0.216 98 S C 0.887 175.370 174.600 -0.194 0.000 0.970 98 S CA 0.233 58.213 58.200 -0.366 0.000 0.912 98 S CB -0.396 62.596 63.200 -0.346 0.000 0.790 98 S HN 0.740 nan 8.310 nan 0.000 0.504 99 A N 2.606 125.318 122.820 -0.181 0.000 2.483 99 A HA 0.634 4.956 4.320 0.004 0.000 0.238 99 A C 0.153 177.707 177.584 -0.049 0.000 1.070 99 A CA -0.266 51.694 52.037 -0.130 0.000 0.770 99 A CB -0.131 18.794 19.000 -0.125 0.000 1.008 99 A HN 0.807 nan 8.150 nan 0.000 0.497 100 M N -0.081 119.505 119.600 -0.023 0.000 2.813 100 M HA 0.765 5.247 4.480 0.004 0.000 0.270 100 M C 0.076 176.379 176.300 0.004 0.000 1.267 100 M CA -0.069 55.249 55.300 0.029 0.000 0.822 100 M CB 1.314 33.986 32.600 0.120 0.000 1.671 100 M HN 2.442 nan 8.290 nan 0.000 0.468 101 G N 0.523 109.348 108.800 0.042 0.000 2.795 101 G HA2 -0.273 3.690 3.960 0.004 0.000 0.664 101 G HA3 -0.273 3.690 3.960 0.004 0.000 0.664 101 G C -0.596 174.328 174.900 0.040 0.000 1.381 101 G CA 0.313 45.446 45.100 0.055 0.000 0.853 101 G HN 1.874 nan 8.290 nan 0.000 0.545 102 Y N -1.138 119.143 120.300 -0.032 0.000 2.616 102 Y HA 0.394 4.946 4.550 0.004 0.000 0.296 102 Y C 1.806 177.663 175.900 -0.071 0.000 1.154 102 Y CA 1.672 59.738 58.100 -0.056 0.000 1.325 102 Y CB 0.200 38.629 38.460 -0.052 0.000 1.007 102 Y HN 0.550 nan 8.280 nan 0.000 0.542 103 E N 0.750 120.648 120.200 -0.504 0.000 2.501 103 E HA 0.372 4.724 4.350 0.004 0.000 0.201 103 E C 0.733 177.166 176.600 -0.278 0.000 1.016 103 E CA 0.210 56.327 56.400 -0.472 0.000 0.920 103 E CB 0.374 29.734 29.700 -0.566 0.000 1.023 103 E HN 0.458 nan 8.360 nan 0.000 0.474 104 A N 1.698 124.393 122.820 -0.209 0.000 2.560 104 A HA -0.204 4.118 4.320 0.004 0.000 0.299 104 A C 0.417 177.885 177.584 -0.193 0.000 1.484 104 A CA 0.792 52.726 52.037 -0.172 0.000 0.749 104 A CB -2.252 16.637 19.000 -0.186 0.000 1.072 104 A HN 0.300 nan 8.150 nan 0.000 0.426 105 S N -0.667 114.914 115.700 -0.198 0.000 2.565 105 S HA 0.862 5.334 4.470 0.004 0.000 0.290 105 S C -0.054 174.409 174.600 -0.228 0.000 1.150 105 S CA 0.048 58.106 58.200 -0.237 0.000 1.058 105 S CB 2.005 65.035 63.200 -0.283 0.000 1.032 105 S HN 1.777 nan 8.310 nan 0.000 0.510 106 S N 0.453 115.973 115.700 -0.299 0.000 2.592 106 S HA 0.472 4.944 4.470 0.004 0.000 0.275 106 S C -0.419 173.970 174.600 -0.351 0.000 1.169 106 S CA -0.683 57.298 58.200 -0.366 0.000 0.958 106 S CB 0.286 63.202 63.200 -0.474 0.000 1.095 106 S HN 0.563 nan 8.310 nan 0.000 0.471 107 F N 2.689 122.558 119.950 -0.135 0.000 2.451 107 F HA 0.164 4.693 4.527 0.004 0.000 0.299 107 F C 2.377 178.150 175.800 -0.046 0.000 1.101 107 F CA 1.202 59.133 58.000 -0.115 0.000 1.436 107 F CB -0.149 38.670 39.000 -0.302 0.000 1.074 107 F HN 0.734 nan 8.300 nan 0.000 0.553 108 G N -1.189 107.505 108.800 -0.176 0.000 2.920 108 G HA2 -0.051 3.911 3.960 0.004 0.000 0.208 108 G HA3 -0.051 3.911 3.960 0.004 0.000 0.208 108 G C 0.238 175.112 174.900 -0.042 0.000 1.159 108 G CA -0.098 44.948 45.100 -0.089 0.000 0.784 108 G HN 0.088 nan 8.290 nan 0.000 0.535 109 D N 0.486 120.830 120.400 -0.094 0.000 2.354 109 D HA 0.470 5.112 4.640 0.004 0.000 0.247 109 D C 0.678 176.839 176.300 -0.231 0.000 1.138 109 D CA -0.193 53.730 54.000 -0.128 0.000 0.958 109 D CB 1.205 41.996 40.800 -0.015 0.000 1.144 109 D HN 0.135 nan 8.370 nan 0.000 0.458 110 A N 1.137 123.617 122.820 -0.566 0.000 2.546 110 A HA 0.004 4.326 4.320 0.004 0.000 0.243 110 A C 0.479 177.922 177.584 -0.235 0.000 1.063 110 A CA 0.008 51.560 52.037 -0.808 0.000 0.757 110 A CB 0.092 18.580 19.000 -0.853 0.000 0.991 110 A HN 0.312 nan 8.150 nan 0.000 0.503 111 Q N 1.762 121.440 119.800 -0.203 0.000 2.620 111 Q HA 0.151 4.493 4.340 0.004 0.000 0.333 111 Q C 0.091 176.046 176.000 -0.076 0.000 1.017 111 Q CA 0.238 55.994 55.803 -0.078 0.000 0.962 111 Q CB -0.329 28.354 28.738 -0.092 0.000 1.297 111 Q HN 0.851 nan 8.270 nan 0.000 0.419 112 S N -1.666 114.022 115.700 -0.019 0.000 2.751 112 S HA 0.694 5.166 4.470 0.004 0.000 0.310 112 S C -0.051 174.533 174.600 -0.027 0.000 1.128 112 S CA -0.781 57.401 58.200 -0.031 0.000 0.931 112 S CB 1.861 65.009 63.200 -0.086 0.000 1.177 112 S HN 0.020 nan 8.310 nan 0.000 0.530 113 S N 0.984 116.626 115.700 -0.097 0.000 2.472 113 S HA 0.869 5.341 4.470 0.004 0.000 0.303 113 S C -1.038 173.447 174.600 -0.191 0.000 1.099 113 S CA -0.667 57.386 58.200 -0.244 0.000 1.077 113 S CB 0.123 63.187 63.200 -0.227 0.000 1.031 113 S HN 0.691 nan 8.310 nan 0.000 0.487 114 F N -0.288 119.488 119.950 -0.290 0.000 2.741 114 F HA 0.714 5.244 4.527 0.004 0.000 0.311 114 F C -1.549 174.130 175.800 -0.202 0.000 1.149 114 F CA -1.712 56.073 58.000 -0.357 0.000 0.930 114 F CB 0.365 39.147 39.000 -0.364 0.000 1.312 114 F HN 0.290 nan 8.300 nan 0.000 0.450 115 F N 1.724 121.794 119.950 0.199 0.000 2.380 115 F HA 0.779 5.308 4.527 0.004 0.000 0.325 115 F C 0.585 176.553 175.800 0.279 0.000 1.136 115 F CA -0.333 57.775 58.000 0.180 0.000 1.171 115 F CB 1.192 40.335 39.000 0.238 0.000 1.230 115 F HN 0.908 nan 8.300 nan 0.000 0.554 116 A N 0.970 124.051 122.820 0.436 0.000 2.612 116 A HA 0.449 4.772 4.320 0.004 0.000 0.293 116 A C -1.689 176.041 177.584 0.244 0.000 1.075 116 A CA -0.850 51.390 52.037 0.337 0.000 0.680 116 A CB 0.069 19.229 19.000 0.267 0.000 1.279 116 A HN 0.581 nan 8.150 nan 0.000 0.411 117 Y N 2.137 122.515 120.300 0.130 0.000 3.036 117 Y HA -0.092 4.461 4.550 0.004 0.000 0.354 117 Y C 0.043 175.936 175.900 -0.012 0.000 1.267 117 Y CA 0.944 59.082 58.100 0.064 0.000 1.606 117 Y CB 0.174 38.661 38.460 0.045 0.000 1.164 117 Y HN 0.551 nan 8.280 nan 0.000 0.587 118 N N 4.983 123.299 118.700 -0.640 0.000 2.439 118 N HA 0.070 4.812 4.740 0.004 0.000 0.249 118 N C 0.421 175.540 175.510 -0.651 0.000 1.003 118 N CA -0.039 52.699 53.050 -0.520 0.000 0.942 118 N CB 1.644 39.829 38.487 -0.503 0.000 1.115 118 N HN 0.615 nan 8.380 nan 0.000 0.505 119 S N 1.581 117.074 115.700 -0.344 0.000 2.515 119 S HA 0.033 4.505 4.470 0.004 0.000 0.231 119 S C 0.553 175.053 174.600 -0.167 0.000 0.987 119 S CA 0.994 59.082 58.200 -0.187 0.000 0.936 119 S CB 0.306 63.487 63.200 -0.030 0.000 0.766 119 S HN 0.493 nan 8.310 nan 0.000 0.528 120 K N -0.411 119.857 120.400 -0.219 0.000 2.430 120 K HA 0.364 4.687 4.320 0.004 0.000 0.268 120 K C -1.027 175.464 176.600 -0.182 0.000 1.043 120 K CA -0.998 55.185 56.287 -0.172 0.000 0.899 120 K CB 1.034 33.376 32.500 -0.262 0.000 1.472 120 K HN 0.148 nan 8.250 nan 0.000 0.451 121 Y N -0.462 119.789 120.300 -0.082 0.000 2.296 121 Y HA 0.355 4.907 4.550 0.004 0.000 0.343 121 Y C -0.249 175.606 175.900 -0.075 0.000 1.292 121 Y CA -0.393 57.664 58.100 -0.072 0.000 1.490 121 Y CB 0.466 38.910 38.460 -0.027 0.000 1.359 121 Y HN 0.377 nan 8.280 nan 0.000 0.599 122 D N 0.821 121.248 120.400 0.045 0.000 2.575 122 D HA 0.336 4.979 4.640 0.004 0.000 0.250 122 D C 0.225 176.617 176.300 0.153 0.000 1.279 122 D CA -0.303 53.660 54.000 -0.062 0.000 0.925 122 D CB 1.634 42.369 40.800 -0.108 0.000 1.261 122 D HN 0.872 nan 8.370 nan 0.000 0.567 123 A N 2.716 125.669 122.820 0.222 0.000 2.125 123 A HA -0.121 4.202 4.320 0.004 0.000 0.219 123 A C 1.898 179.552 177.584 0.117 0.000 1.156 123 A CA 1.800 53.989 52.037 0.253 0.000 0.671 123 A CB -0.354 18.839 19.000 0.322 0.000 0.794 123 A HN 0.582 nan 8.150 nan 0.000 0.459 124 S N -2.112 113.624 115.700 0.060 0.000 2.461 124 S HA 0.318 4.791 4.470 0.004 0.000 0.228 124 S C 1.598 176.217 174.600 0.033 0.000 1.005 124 S CA 1.172 59.392 58.200 0.034 0.000 0.942 124 S CB -0.349 62.855 63.200 0.008 0.000 0.776 124 S HN 1.862 nan 8.310 nan 0.000 0.514 125 G N 0.705 109.527 108.800 0.037 0.000 2.176 125 G HA2 -0.227 3.736 3.960 0.004 0.000 0.253 125 G HA3 -0.227 3.736 3.960 0.004 0.000 0.253 125 G C 0.976 175.888 174.900 0.020 0.000 0.979 125 G CA 0.197 45.316 45.100 0.030 0.000 0.641 125 G HN 1.214 nan 8.290 nan 0.000 0.530 126 A N -0.248 122.578 122.820 0.010 0.000 2.015 126 A HA 0.399 4.722 4.320 0.004 0.000 0.219 126 A C 2.123 179.711 177.584 0.007 0.000 1.163 126 A CA 1.632 53.677 52.037 0.014 0.000 0.646 126 A CB -0.188 18.818 19.000 0.010 0.000 0.806 126 A HN 0.784 nan 8.150 nan 0.000 0.448 127 L N -0.718 120.484 121.223 -0.034 0.000 2.607 127 L HA 0.041 4.383 4.340 0.004 0.000 0.228 127 L C 0.964 177.835 176.870 0.001 0.000 1.123 127 L CA 0.032 54.826 54.840 -0.077 0.000 0.890 127 L CB -0.212 41.712 42.059 -0.224 0.000 1.103 127 L HN 0.207 nan 8.230 nan 0.000 0.468 128 D N 0.843 121.256 120.400 0.023 0.000 2.123 128 D HA -0.147 4.495 4.640 0.004 0.000 0.196 128 D C 1.267 177.599 176.300 0.053 0.000 0.992 128 D CA 1.302 55.323 54.000 0.034 0.000 0.833 128 D CB 0.093 40.911 40.800 0.030 0.000 0.954 128 D HN 0.220 nan 8.370 nan 0.000 0.455 129 N N -0.547 118.191 118.700 0.065 0.000 2.282 129 N HA -0.028 4.715 4.740 0.004 0.000 0.240 129 N C -0.517 175.044 175.510 0.085 0.000 1.182 129 N CA -0.298 52.792 53.050 0.066 0.000 0.874 129 N CB 0.553 39.066 38.487 0.044 0.000 1.126 129 N HN 0.201 nan 8.380 nan 0.000 0.516 130 Y N 2.196 122.457 120.300 -0.065 0.000 2.526 130 Y HA 0.181 4.733 4.550 0.004 0.000 0.330 130 Y C -0.309 175.542 175.900 -0.082 0.000 1.156 130 Y CA -0.037 57.988 58.100 -0.126 0.000 1.419 130 Y CB 0.239 38.581 38.460 -0.197 0.000 1.250 130 Y HN -0.016 nan 8.280 nan 0.000 0.540 131 N N 3.697 122.269 118.700 -0.214 0.000 2.425 131 N HA 0.575 5.317 4.740 0.004 0.000 0.289 131 N C -1.096 174.264 175.510 -0.249 0.000 1.074 131 N CA -0.257 52.730 53.050 -0.105 0.000 0.905 131 N CB 1.603 40.091 38.487 0.002 0.000 1.586 131 N HN 0.901 nan 8.380 nan 0.000 0.490 132 G N 1.870 110.604 108.800 -0.111 0.000 2.537 132 G HA2 0.711 4.673 3.960 0.004 0.000 0.308 132 G HA3 0.711 4.673 3.960 0.004 0.000 0.308 132 G C -1.190 173.785 174.900 0.126 0.000 1.237 132 G CA -0.436 44.621 45.100 -0.072 0.000 0.968 132 G HN 0.470 nan 8.290 nan 0.000 0.481 133 I N 0.608 121.299 120.570 0.202 0.000 2.498 133 I HA 0.625 4.797 4.170 0.004 0.000 0.290 133 I C -0.072 176.180 176.117 0.224 0.000 1.032 133 I CA -0.723 60.717 61.300 0.233 0.000 1.073 133 I CB 1.612 39.764 38.000 0.254 0.000 1.251 133 I HN 0.677 nan 8.210 nan 0.000 0.426 134 A N 5.941 128.883 122.820 0.203 0.000 2.515 134 A HA 0.893 5.216 4.320 0.004 0.000 0.296 134 A C -1.380 176.305 177.584 0.168 0.000 1.094 134 A CA -0.524 51.626 52.037 0.187 0.000 0.718 134 A CB 2.173 21.284 19.000 0.185 0.000 1.307 134 A HN 0.357 nan 8.150 nan 0.000 0.408 135 V N 1.490 121.497 119.914 0.154 0.000 2.525 135 V HA 0.667 4.790 4.120 0.004 0.000 0.299 135 V C 0.040 176.204 176.094 0.116 0.000 1.034 135 V CA -0.141 62.235 62.300 0.128 0.000 0.863 135 V CB 1.551 33.443 31.823 0.114 0.000 0.999 135 V HN 1.194 nan 8.190 nan 0.000 0.423 136 T N 1.380 115.983 114.554 0.082 0.000 2.912 136 T HA 0.815 5.167 4.350 0.004 0.000 0.288 136 T C -1.219 173.528 174.700 0.078 0.000 1.030 136 T CA -0.788 61.315 62.100 0.004 0.000 1.020 136 T CB 2.291 71.111 68.868 -0.079 0.000 1.056 136 T HN 0.760 nan 8.240 nan 0.000 0.480 137 Y N 0.560 120.759 120.300 -0.167 0.000 2.442 137 Y HA 0.560 5.113 4.550 0.004 0.000 0.330 137 Y C -1.449 174.359 175.900 -0.154 0.000 1.100 137 Y CA -1.154 56.877 58.100 -0.116 0.000 1.034 137 Y CB 1.973 40.398 38.460 -0.059 0.000 1.285 137 Y HN 0.787 nan 8.280 nan 0.000 0.440 138 S N 7.788 123.271 115.700 -0.360 0.000 2.528 138 S HA 0.356 4.828 4.470 0.004 0.000 0.303 138 S C -0.282 174.049 174.600 -0.448 0.000 1.123 138 S CA -0.625 57.352 58.200 -0.371 0.000 1.138 138 S CB 0.229 63.308 63.200 -0.202 0.000 0.984 138 S HN 0.672 nan 8.310 nan 0.000 0.474 139 I N 3.568 123.814 120.570 -0.540 0.000 2.204 139 I HA 0.199 4.371 4.170 0.004 0.000 0.291 139 I C 0.638 176.657 176.117 -0.163 0.000 1.153 139 I CA 0.641 61.710 61.300 -0.385 0.000 1.546 139 I CB -1.288 36.470 38.000 -0.404 0.000 1.490 139 I HN 0.696 nan 8.210 nan 0.000 0.697 140 S N 4.464 120.081 115.700 -0.138 0.000 4.158 140 S HA -0.244 4.228 4.470 0.004 0.000 0.578 140 S C 1.362 175.908 174.600 -0.090 0.000 1.866 140 S CA 1.497 59.646 58.200 -0.086 0.000 4.250 140 S CB -1.638 61.534 63.200 -0.047 0.000 0.204 140 S HN 0.784 nan 8.310 nan 0.000 0.455 141 G N 0.735 109.492 108.800 -0.071 0.000 3.042 141 G HA2 0.421 4.383 3.960 0.004 0.000 0.212 141 G HA3 0.421 4.383 3.960 0.004 0.000 0.212 141 G C -0.042 174.814 174.900 -0.073 0.000 1.166 141 G CA 0.855 45.872 45.100 -0.138 0.000 0.767 141 G HN 0.734 nan 8.290 nan 0.000 0.546 142 V N 2.515 122.437 119.914 0.013 0.000 2.311 142 V HA 0.272 4.395 4.120 0.004 0.000 0.275 142 V C -0.694 175.356 176.094 -0.072 0.000 1.022 142 V CA -1.256 61.088 62.300 0.072 0.000 0.830 142 V CB 0.684 32.570 31.823 0.104 0.000 1.012 142 V HN 0.211 nan 8.190 nan 0.000 0.452 143 N N 5.105 123.776 118.700 -0.049 0.000 2.456 143 N HA 0.493 5.236 4.740 0.004 0.000 0.288 143 N C -1.177 174.216 175.510 -0.194 0.000 1.059 143 N CA -0.597 52.329 53.050 -0.207 0.000 0.946 143 N CB 2.594 40.923 38.487 -0.263 0.000 1.150 143 N HN 0.324 nan 8.380 nan 0.000 0.479 144 L N 2.698 123.708 121.223 -0.355 0.000 2.346 144 L HA 0.526 4.868 4.340 0.004 0.000 0.274 144 L C -1.168 175.477 176.870 -0.376 0.000 1.007 144 L CA -0.543 54.199 54.840 -0.164 0.000 0.818 144 L CB 1.001 43.062 42.059 0.004 0.000 1.284 144 L HN 0.519 nan 8.230 nan 0.000 0.424 145 Y N 3.418 123.768 120.300 0.083 0.000 2.504 145 Y HA 0.660 5.212 4.550 0.004 0.000 0.344 145 Y C -0.469 175.464 175.900 0.056 0.000 1.023 145 Y CA -0.812 57.331 58.100 0.072 0.000 1.020 145 Y CB 2.085 40.577 38.460 0.053 0.000 1.282 145 Y HN 0.310 nan 8.280 nan 0.000 0.454 146 L N 2.924 124.268 121.223 0.201 0.000 2.493 146 L HA 0.766 5.109 4.340 0.004 0.000 0.265 146 L C -1.188 175.739 176.870 0.095 0.000 0.954 146 L CA -0.522 54.374 54.840 0.094 0.000 0.844 146 L CB 2.409 44.550 42.059 0.136 0.000 1.302 146 L HN 0.839 nan 8.230 nan 0.000 0.405 147 S N 1.820 117.515 115.700 -0.008 0.000 2.536 147 S HA 0.610 5.082 4.470 0.004 0.000 0.271 147 S C -1.534 173.146 174.600 0.134 0.000 1.134 147 S CA -0.771 57.486 58.200 0.096 0.000 0.897 147 S CB 1.993 65.259 63.200 0.111 0.000 1.094 147 S HN 0.506 nan 8.310 nan 0.000 0.473 148 Y N 1.778 122.137 120.300 0.098 0.000 2.373 148 Y HA 0.710 5.263 4.550 0.004 0.000 0.336 148 Y C -1.813 174.127 175.900 0.067 0.000 0.979 148 Y CA -0.829 57.362 58.100 0.151 0.000 1.080 148 Y CB 1.654 40.240 38.460 0.210 0.000 1.190 148 Y HN 0.717 nan 8.280 nan 0.000 0.446 149 V N 5.985 125.589 119.914 -0.518 0.000 2.524 149 V HA 0.263 4.385 4.120 0.004 0.000 0.297 149 V C -1.259 174.398 176.094 -0.729 0.000 1.035 149 V CA -0.820 61.128 62.300 -0.587 0.000 0.867 149 V CB 1.648 33.237 31.823 -0.390 0.000 1.004 149 V HN 0.767 nan 8.190 nan 0.000 0.426 150 D N 7.173 127.130 120.400 -0.738 0.000 2.373 150 D HA 0.396 5.038 4.640 0.004 0.000 0.227 150 D C -1.519 174.530 176.300 -0.418 0.000 1.091 150 D CA -2.149 51.572 54.000 -0.465 0.000 0.840 150 D CB 2.590 43.224 40.800 -0.277 0.000 1.060 150 D HN 0.209 nan 8.370 nan 0.000 0.502 151 P HA -0.017 nan 4.420 nan 0.000 0.222 151 P C -0.098 177.183 177.300 -0.033 0.000 1.147 151 P CA 0.843 63.845 63.100 -0.163 0.000 0.790 151 P CB 0.482 32.206 31.700 0.039 0.000 0.780 152 D N -0.352 120.027 120.400 -0.034 0.000 2.337 152 D HA 0.023 4.665 4.640 0.004 0.000 0.238 152 D C 0.861 177.162 176.300 0.001 0.000 1.331 152 D CA -0.162 53.841 54.000 0.005 0.000 0.967 152 D CB 0.700 41.516 40.800 0.025 0.000 1.382 152 D HN 0.015 nan 8.370 nan 0.000 0.549 153 Q N 0.959 120.759 119.800 -0.000 0.000 2.435 153 Q HA -0.068 4.274 4.340 0.004 0.000 0.207 153 Q C 1.088 177.106 176.000 0.030 0.000 0.956 153 Q CA 1.305 57.119 55.803 0.017 0.000 0.917 153 Q CB -0.140 28.613 28.738 0.025 0.000 0.997 153 Q HN 0.313 nan 8.270 nan 0.000 0.497 154 T N -2.399 112.171 114.554 0.027 0.000 3.055 154 T HA 0.134 4.486 4.350 0.004 0.000 0.265 154 T C 0.738 175.453 174.700 0.026 0.000 1.111 154 T CA 0.045 62.161 62.100 0.027 0.000 1.118 154 T CB 0.018 68.901 68.868 0.025 0.000 0.909 154 T HN 0.068 nan 8.240 nan 0.000 0.501 155 V N 2.532 122.463 119.914 0.027 0.000 2.617 155 V HA 0.320 4.443 4.120 0.004 0.000 0.298 155 V C 0.214 176.326 176.094 0.031 0.000 1.048 155 V CA -1.167 61.149 62.300 0.027 0.000 0.964 155 V CB 1.387 33.226 31.823 0.027 0.000 1.004 155 V HN 0.385 nan 8.190 nan 0.000 0.466 156 D N 2.776 123.194 120.400 0.029 0.000 2.730 156 D HA -0.092 4.551 4.640 0.004 0.000 0.225 156 D C 1.424 177.748 176.300 0.039 0.000 1.107 156 D CA 0.914 54.933 54.000 0.032 0.000 0.837 156 D CB 1.007 41.823 40.800 0.027 0.000 1.171 156 D HN 0.644 nan 8.370 nan 0.000 0.498 157 S N 2.134 117.864 115.700 0.049 0.000 2.400 157 S HA -0.263 4.209 4.470 0.004 0.000 0.232 157 S C 2.057 176.690 174.600 0.055 0.000 1.025 157 S CA 1.155 59.393 58.200 0.063 0.000 0.993 157 S CB -0.539 62.713 63.200 0.087 0.000 0.808 157 S HN 0.633 nan 8.310 nan 0.000 0.478 158 S N 2.004 117.731 115.700 0.044 0.000 2.440 158 S HA -0.001 4.471 4.470 0.004 0.000 0.238 158 S C 1.581 176.202 174.600 0.035 0.000 1.010 158 S CA 0.820 59.042 58.200 0.038 0.000 0.972 158 S CB -0.676 62.542 63.200 0.029 0.000 0.774 158 S HN 0.579 nan 8.310 nan 0.000 0.501 159 L N 1.381 122.625 121.223 0.034 0.000 2.567 159 L HA 0.360 4.703 4.340 0.004 0.000 0.225 159 L C 0.770 177.661 176.870 0.035 0.000 1.119 159 L CA -0.080 54.779 54.840 0.031 0.000 0.871 159 L CB 0.328 42.404 42.059 0.027 0.000 1.036 159 L HN 0.415 nan 8.230 nan 0.000 0.459 160 V N -3.920 116.018 119.914 0.040 0.000 3.046 160 V HA 0.550 4.672 4.120 0.004 0.000 0.316 160 V C -0.182 175.942 176.094 0.050 0.000 1.104 160 V CA -0.421 61.904 62.300 0.043 0.000 1.006 160 V CB 2.012 33.859 31.823 0.039 0.000 1.058 160 V HN -0.058 nan 8.190 nan 0.000 0.440 161 T N 3.215 117.802 114.554 0.054 0.000 2.733 161 T HA 0.539 4.891 4.350 0.004 0.000 0.294 161 T C -0.440 174.301 174.700 0.069 0.000 0.956 161 T CA -0.009 62.127 62.100 0.059 0.000 0.987 161 T CB 0.660 69.557 68.868 0.049 0.000 0.920 161 T HN 0.880 nan 8.240 nan 0.000 0.470 162 E N 1.940 122.181 120.200 0.067 0.000 2.242 162 E HA 0.335 4.687 4.350 0.004 0.000 0.275 162 E C -0.127 176.524 176.600 0.085 0.000 1.002 162 E CA -0.628 55.784 56.400 0.020 0.000 0.841 162 E CB 1.279 30.982 29.700 0.005 0.000 1.109 162 E HN 0.549 nan 8.360 nan 0.000 0.394 163 E N 2.468 122.716 120.200 0.079 0.000 2.175 163 E HA 0.291 4.644 4.350 0.004 0.000 0.278 163 E C -1.493 175.236 176.600 0.216 0.000 0.969 163 E CA -0.564 55.919 56.400 0.139 0.000 0.796 163 E CB 0.703 30.524 29.700 0.203 0.000 1.104 163 E HN 0.367 nan 8.360 nan 0.000 0.395 164 F N 3.376 123.387 119.950 0.102 0.000 2.493 164 F HA 0.671 5.200 4.527 0.004 0.000 0.329 164 F C -0.536 175.342 175.800 0.130 0.000 1.126 164 F CA -0.328 57.775 58.000 0.172 0.000 0.937 164 F CB 1.730 40.857 39.000 0.212 0.000 1.146 164 F HN 0.442 nan 8.300 nan 0.000 0.442 165 G N 5.858 114.233 108.800 -0.708 0.000 2.612 165 G HA2 0.708 4.670 3.960 0.004 0.000 0.298 165 G HA3 0.708 4.670 3.960 0.004 0.000 0.298 165 G C -1.922 172.630 174.900 -0.580 0.000 1.336 165 G CA -0.923 43.883 45.100 -0.489 0.000 0.953 165 G HN 0.748 nan 8.290 nan 0.000 0.482 166 I N -0.425 120.033 120.570 -0.187 0.000 2.894 166 I HA 0.893 5.066 4.170 0.004 0.000 0.302 166 I C -0.021 176.180 176.117 0.139 0.000 1.188 166 I CA -1.117 60.190 61.300 0.012 0.000 1.014 166 I CB 2.379 40.463 38.000 0.141 0.000 1.242 166 I HN 0.852 nan 8.210 nan 0.000 0.430 167 A N 2.752 125.688 122.820 0.192 0.000 2.608 167 A HA 1.011 5.333 4.320 0.004 0.000 0.292 167 A C -1.697 176.083 177.584 0.327 0.000 1.066 167 A CA -0.297 51.867 52.037 0.211 0.000 0.676 167 A CB 1.734 20.783 19.000 0.081 0.000 1.277 167 A HN 1.518 nan 8.150 nan 0.000 0.413 168 A N 0.881 123.859 122.820 0.264 0.000 2.520 168 A HA 0.825 5.147 4.320 0.004 0.000 0.298 168 A C -1.423 176.300 177.584 0.231 0.000 1.051 168 A CA 0.092 52.281 52.037 0.253 0.000 0.690 168 A CB 1.411 20.497 19.000 0.144 0.000 1.281 168 A HN 1.507 nan 8.150 nan 0.000 0.402 169 D N -0.611 119.947 120.400 0.264 0.000 2.552 169 D HA 0.695 5.338 4.640 0.004 0.000 0.239 169 D C -0.838 175.621 176.300 0.264 0.000 1.139 169 D CA -0.367 53.773 54.000 0.235 0.000 0.914 169 D CB 1.187 42.120 40.800 0.222 0.000 1.461 169 D HN 0.846 nan 8.370 nan 0.000 0.462 170 W N 0.734 122.051 121.300 0.029 0.000 3.296 170 W HA 0.625 5.286 4.660 0.003 0.000 0.314 170 W C -2.080 174.444 176.519 0.009 0.000 1.238 170 W CA -0.540 56.808 57.345 0.004 0.000 1.193 170 W CB 1.964 31.419 29.460 -0.008 0.000 1.383 170 W HN 0.523 nan 8.180 nan 0.000 0.545 171 S N 3.690 118.778 115.700 -1.020 0.000 2.543 171 S HA 0.443 4.915 4.470 0.004 0.000 0.273 171 S C -0.762 173.115 174.600 -1.205 0.000 1.152 171 S CA -0.620 56.942 58.200 -1.063 0.000 0.910 171 S CB 0.642 63.586 63.200 -0.427 0.000 1.105 171 S HN 0.718 nan 8.310 nan 0.000 0.465 172 N N 2.432 120.508 118.700 -1.040 0.000 2.909 172 N HA 0.441 5.184 4.740 0.004 0.000 0.326 172 N C 0.114 175.439 175.510 -0.310 0.000 1.368 172 N CA -0.224 52.510 53.050 -0.528 0.000 0.797 172 N CB -0.531 37.768 38.487 -0.312 0.000 1.150 172 N HN 0.467 nan 8.380 nan 0.000 0.550 173 D N -1.322 118.968 120.400 -0.184 0.000 2.289 173 D HA 0.048 4.690 4.640 0.004 0.000 0.207 173 D C 1.194 177.411 176.300 -0.139 0.000 0.966 173 D CA 1.124 55.035 54.000 -0.147 0.000 0.868 173 D CB 0.085 40.821 40.800 -0.107 0.000 0.943 173 D HN 0.512 nan 8.370 nan 0.000 0.514 174 M N -1.138 118.396 119.600 -0.111 0.000 2.329 174 M HA 0.316 4.798 4.480 0.004 0.000 0.281 174 M C 0.023 176.318 176.300 -0.009 0.000 1.088 174 M CA 0.207 55.450 55.300 -0.095 0.000 1.108 174 M CB 0.851 33.401 32.600 -0.084 0.000 1.657 174 M HN -0.203 nan 8.290 nan 0.000 0.579 175 I N 1.617 122.211 120.570 0.040 0.000 2.493 175 I HA 0.434 4.607 4.170 0.004 0.000 0.298 175 I C -0.452 175.673 176.117 0.013 0.000 0.998 175 I CA -0.403 60.981 61.300 0.141 0.000 1.137 175 I CB 2.208 40.378 38.000 0.283 0.000 1.310 175 I HN 0.029 nan 8.210 nan 0.000 0.445 176 S N 5.999 121.756 115.700 0.094 0.000 2.542 176 S HA 0.807 5.280 4.470 0.004 0.000 0.293 176 S C -0.786 173.942 174.600 0.212 0.000 1.089 176 S CA -0.694 57.562 58.200 0.093 0.000 0.961 176 S CB 1.893 65.126 63.200 0.054 0.000 1.062 176 S HN 0.317 nan 8.310 nan 0.000 0.483 177 L N 1.586 122.977 121.223 0.281 0.000 2.422 177 L HA 0.925 5.268 4.340 0.004 0.000 0.264 177 L C -0.509 176.444 176.870 0.138 0.000 0.984 177 L CA -0.532 54.426 54.840 0.197 0.000 0.819 177 L CB 2.025 44.206 42.059 0.204 0.000 1.330 177 L HN 0.819 nan 8.230 nan 0.000 0.410 178 A N 2.142 124.958 122.820 -0.007 0.000 2.549 178 A HA 0.997 5.319 4.320 0.004 0.000 0.297 178 A C -1.487 175.891 177.584 -0.343 0.000 1.061 178 A CA -0.200 51.810 52.037 -0.046 0.000 0.690 178 A CB 2.006 21.078 19.000 0.121 0.000 1.287 178 A HN 0.865 nan 8.150 nan 0.000 0.402 179 A N 0.169 122.870 122.820 -0.198 0.000 2.574 179 A HA 1.020 5.343 4.320 0.004 0.000 0.297 179 A C -0.550 177.053 177.584 0.031 0.000 1.062 179 A CA 0.072 51.980 52.037 -0.215 0.000 0.686 179 A CB 1.339 20.284 19.000 -0.091 0.000 1.285 179 A HN 2.673 nan 8.150 nan 0.000 0.403 180 A N 0.409 123.308 122.820 0.131 0.000 2.594 180 A HA 0.799 5.121 4.320 0.004 0.000 0.295 180 A C -1.781 176.039 177.584 0.393 0.000 1.071 180 A CA -0.393 51.785 52.037 0.235 0.000 0.685 180 A CB 1.214 20.305 19.000 0.152 0.000 1.285 180 A HN 2.006 nan 8.150 nan 0.000 0.405 181 Y N 0.323 120.757 120.300 0.224 0.000 2.479 181 Y HA 0.682 5.234 4.550 0.004 0.000 0.338 181 Y C -0.804 175.192 175.900 0.160 0.000 1.055 181 Y CA -0.159 58.072 58.100 0.218 0.000 1.023 181 Y CB 2.370 40.939 38.460 0.181 0.000 1.287 181 Y HN 0.695 nan 8.280 nan 0.000 0.447 182 T N 4.021 118.248 114.554 -0.545 0.000 2.991 182 T HA 0.407 4.760 4.350 0.004 0.000 0.303 182 T C -0.956 173.400 174.700 -0.573 0.000 1.015 182 T CA -0.806 61.038 62.100 -0.427 0.000 1.007 182 T CB 1.139 69.820 68.868 -0.313 0.000 1.034 182 T HN 0.664 nan 8.240 nan 0.000 0.446 183 T N 0.012 114.407 114.554 -0.264 0.000 2.867 183 T HA 0.549 4.901 4.350 0.004 0.000 0.282 183 T C -0.388 174.284 174.700 -0.047 0.000 1.000 183 T CA -0.741 61.275 62.100 -0.139 0.000 1.042 183 T CB 0.773 69.697 68.868 0.094 0.000 0.973 183 T HN 0.561 nan 8.240 nan 0.000 0.465 184 D N -0.095 120.265 120.400 -0.067 0.000 2.746 184 D HA -0.128 4.514 4.640 0.004 0.000 0.236 184 D C 0.442 176.663 176.300 -0.132 0.000 1.129 184 D CA 0.934 54.899 54.000 -0.059 0.000 0.691 184 D CB -1.653 39.154 40.800 0.011 0.000 1.077 184 D HN 1.142 nan 8.370 nan 0.000 0.432 185 A N -0.187 122.512 122.820 -0.201 0.000 2.548 185 A HA 0.466 4.788 4.320 0.004 0.000 0.247 185 A C 1.788 179.131 177.584 -0.401 0.000 1.067 185 A CA 1.084 52.949 52.037 -0.286 0.000 0.757 185 A CB 0.196 19.006 19.000 -0.315 0.000 0.996 185 A HN 1.298 nan 8.150 nan 0.000 0.504 186 G N 1.323 109.652 108.800 -0.786 0.000 2.143 186 G HA2 0.161 4.123 3.960 0.004 0.000 0.248 186 G HA3 0.161 4.123 3.960 0.004 0.000 0.248 186 G C 1.577 175.964 174.900 -0.855 0.000 0.991 186 G CA 0.892 45.251 45.100 -1.235 0.000 0.689 186 G HN 2.832 nan 8.290 nan 0.000 0.522 187 G N -1.317 107.203 108.800 -0.466 0.000 2.143 187 G HA2 -0.239 3.723 3.960 0.004 0.000 0.248 187 G HA3 -0.239 3.723 3.960 0.004 0.000 0.248 187 G C 0.261 175.130 174.900 -0.052 0.000 0.991 187 G CA 0.512 45.601 45.100 -0.019 0.000 0.689 187 G HN 1.391 nan 8.290 nan 0.000 0.522 188 I N 1.300 121.799 120.570 -0.118 0.000 2.328 188 I HA 0.295 4.467 4.170 0.004 0.000 0.287 188 I C 0.978 177.063 176.117 -0.052 0.000 1.012 188 I CA -1.089 60.164 61.300 -0.077 0.000 1.195 188 I CB 1.686 39.622 38.000 -0.107 0.000 1.350 188 I HN -0.088 nan 8.210 nan 0.000 0.464 189 V N 7.317 127.218 119.914 -0.022 0.000 2.625 189 V HA -0.118 4.004 4.120 0.004 0.000 0.305 189 V C 0.694 176.779 176.094 -0.014 0.000 1.055 189 V CA 0.961 63.257 62.300 -0.006 0.000 1.209 189 V CB -0.154 31.672 31.823 0.005 0.000 0.877 189 V HN 0.930 nan 8.190 nan 0.000 0.489 190 D N 2.303 122.698 120.400 -0.008 0.000 3.028 190 D HA -0.174 4.468 4.640 0.004 0.000 0.207 190 D C 0.563 176.846 176.300 -0.027 0.000 1.100 190 D CA 1.213 55.210 54.000 -0.005 0.000 0.995 190 D CB -1.090 39.714 40.800 0.005 0.000 1.108 190 D HN 0.761 nan 8.370 nan 0.000 0.421 191 N N 1.927 120.591 118.700 -0.059 0.000 2.895 191 N HA 0.069 4.811 4.740 0.004 0.000 0.277 191 N C -1.335 174.095 175.510 -0.133 0.000 1.185 191 N CA 0.226 53.218 53.050 -0.096 0.000 1.106 191 N CB 0.133 38.546 38.487 -0.123 0.000 1.422 191 N HN -0.015 nan 8.380 nan 0.000 0.521 192 D N 2.616 122.951 120.400 -0.108 0.000 2.280 192 D HA 0.258 4.900 4.640 0.004 0.000 0.236 192 D C 0.571 176.766 176.300 -0.176 0.000 1.082 192 D CA -0.248 53.650 54.000 -0.170 0.000 0.834 192 D CB 1.143 41.917 40.800 -0.044 0.000 1.100 192 D HN 0.476 nan 8.370 nan 0.000 0.486 193 I N -1.751 118.620 120.570 -0.332 0.000 2.910 193 I HA 0.911 5.083 4.170 0.004 0.000 0.310 193 I C -0.928 175.154 176.117 -0.059 0.000 1.043 193 I CA -1.108 60.047 61.300 -0.240 0.000 1.053 193 I CB 2.272 39.977 38.000 -0.492 0.000 1.242 193 I HN 0.319 nan 8.210 nan 0.000 0.452 194 A N 3.163 126.093 122.820 0.182 0.000 2.587 194 A HA 0.848 5.170 4.320 0.004 0.000 0.293 194 A C -1.809 176.052 177.584 0.460 0.000 1.087 194 A CA -0.436 51.860 52.037 0.433 0.000 0.692 194 A CB 1.870 21.188 19.000 0.531 0.000 1.291 194 A HN 0.829 nan 8.150 nan 0.000 0.407 195 F N 0.975 121.084 119.950 0.266 0.000 2.581 195 F HA 0.711 5.240 4.527 0.004 0.000 0.311 195 F C -1.730 174.112 175.800 0.071 0.000 1.113 195 F CA -0.926 57.077 58.000 0.004 0.000 0.935 195 F CB 1.968 40.835 39.000 -0.221 0.000 1.232 195 F HN 0.450 nan 8.300 nan 0.000 0.445 196 V N 4.919 124.515 119.914 -0.531 0.000 2.623 196 V HA 0.881 5.004 4.120 0.004 0.000 0.304 196 V C -0.103 175.477 176.094 -0.857 0.000 1.054 196 V CA -0.329 61.552 62.300 -0.699 0.000 0.882 196 V CB 1.325 33.065 31.823 -0.137 0.000 1.002 196 V HN 1.156 nan 8.190 nan 0.000 0.424 197 G N 2.414 110.651 108.800 -0.939 0.000 2.605 197 G HA2 0.941 4.904 3.960 0.004 0.000 0.296 197 G HA3 0.941 4.904 3.960 0.004 0.000 0.296 197 G C -1.212 173.639 174.900 -0.082 0.000 1.304 197 G CA -0.302 44.640 45.100 -0.264 0.000 0.941 197 G HN 1.233 nan 8.290 nan 0.000 0.475 198 A N -0.993 121.863 122.820 0.060 0.000 2.574 198 A HA 1.000 5.322 4.320 0.004 0.000 0.297 198 A C -0.580 177.083 177.584 0.132 0.000 1.062 198 A CA 0.021 52.111 52.037 0.088 0.000 0.686 198 A CB 1.596 20.622 19.000 0.044 0.000 1.285 198 A HN 2.336 nan 8.150 nan 0.000 0.403 199 A N 0.340 123.252 122.820 0.153 0.000 2.539 199 A HA 0.775 5.097 4.320 0.004 0.000 0.296 199 A C -1.841 175.874 177.584 0.218 0.000 1.073 199 A CA -0.419 51.712 52.037 0.157 0.000 0.700 199 A CB 1.309 20.426 19.000 0.195 0.000 1.296 199 A HN 1.902 nan 8.150 nan 0.000 0.405 200 Y N 1.176 121.511 120.300 0.058 0.000 2.346 200 Y HA 0.617 5.168 4.550 0.002 0.000 0.332 200 Y C -0.336 175.634 175.900 0.117 0.000 0.985 200 Y CA -1.020 57.131 58.100 0.084 0.000 1.112 200 Y CB 1.737 40.252 38.460 0.091 0.000 1.170 200 Y HN 0.564 nan 8.280 nan 0.000 0.447 201 K N 7.020 127.269 120.400 -0.252 0.000 2.219 201 K HA 0.184 4.506 4.320 0.004 0.000 0.280 201 K C -0.548 175.686 176.600 -0.611 0.000 1.104 201 K CA -0.447 55.627 56.287 -0.355 0.000 0.925 201 K CB -0.976 31.360 32.500 -0.272 0.000 1.261 201 K HN 0.584 nan 8.250 nan 0.000 0.445 202 F N 1.815 121.408 119.950 -0.596 0.000 2.697 202 F HA 0.378 4.906 4.527 0.002 0.000 0.297 202 F C 0.084 175.728 175.800 -0.260 0.000 1.203 202 F CA -0.598 57.078 58.000 -0.540 0.000 1.421 202 F CB -0.518 38.372 39.000 -0.183 0.000 1.033 202 F HN 0.555 nan 8.300 nan 0.000 0.512 203 N N -0.666 117.736 118.700 -0.497 0.000 3.485 203 N HA 0.109 4.851 4.740 0.004 0.000 0.364 203 N C -0.809 174.483 175.510 -0.363 0.000 1.437 203 N CA 0.001 52.826 53.050 -0.374 0.000 0.853 203 N CB 0.073 38.277 38.487 -0.471 0.000 2.213 203 N HN -0.007 nan 8.380 nan 0.000 0.471 204 D N -0.513 119.691 120.400 -0.327 0.000 2.449 204 D HA 0.343 4.985 4.640 0.004 0.000 0.210 204 D C 0.752 176.829 176.300 -0.372 0.000 1.094 204 D CA 0.198 54.027 54.000 -0.284 0.000 0.846 204 D CB 0.593 41.273 40.800 -0.199 0.000 1.003 204 D HN 0.366 nan 8.370 nan 0.000 0.504 205 A N 0.647 123.157 122.820 -0.516 0.000 1.956 205 A HA 0.533 4.856 4.320 0.004 0.000 0.212 205 A C 1.339 178.234 177.584 -1.148 0.000 1.188 205 A CA 0.685 52.256 52.037 -0.776 0.000 0.675 205 A CB 0.006 18.514 19.000 -0.820 0.000 0.845 205 A HN 0.245 nan 8.150 nan 0.000 0.455 206 G N -1.290 106.778 108.800 -1.219 0.000 2.519 206 G HA2 0.507 4.469 3.960 0.004 0.000 0.307 206 G HA3 0.507 4.469 3.960 0.004 0.000 0.307 206 G C -0.758 173.543 174.900 -0.998 0.000 1.266 206 G CA 0.268 44.618 45.100 -1.250 0.000 0.970 206 G HN 0.561 nan 8.290 nan 0.000 0.481 207 T N -1.481 112.863 114.554 -0.349 0.000 2.912 207 T HA 0.708 5.060 4.350 0.004 0.000 0.299 207 T C -0.671 174.167 174.700 0.229 0.000 1.052 207 T CA -0.345 61.747 62.100 -0.013 0.000 0.996 207 T CB 1.554 70.410 68.868 -0.020 0.000 1.070 207 T HN 1.612 nan 8.240 nan 0.000 0.465 208 V N 0.383 120.431 119.914 0.223 0.000 2.789 208 V HA 1.063 5.186 4.120 0.004 0.000 0.311 208 V C 0.068 176.036 176.094 -0.210 0.000 1.073 208 V CA -0.225 62.084 62.300 0.015 0.000 0.921 208 V CB 1.304 33.176 31.823 0.082 0.000 1.009 208 V HN 1.447 nan 8.190 nan 0.000 0.426 209 G N 1.841 110.250 108.800 -0.652 0.000 2.682 209 G HA2 0.752 4.714 3.960 0.004 0.000 0.290 209 G HA3 0.752 4.714 3.960 0.004 0.000 0.290 209 G C -2.256 172.461 174.900 -0.305 0.000 1.425 209 G CA -0.856 43.932 45.100 -0.520 0.000 0.807 209 G HN 1.198 nan 8.290 nan 0.000 0.482 210 L N 0.369 121.620 121.223 0.046 0.000 2.493 210 L HA 0.634 4.976 4.340 0.004 0.000 0.265 210 L C -1.558 175.459 176.870 0.244 0.000 0.954 210 L CA -0.742 54.194 54.840 0.161 0.000 0.844 210 L CB 2.361 44.469 42.059 0.082 0.000 1.302 210 L HN 0.480 nan 8.230 nan 0.000 0.405 211 N N 3.261 122.134 118.700 0.289 0.000 2.284 211 N HA 0.450 5.193 4.740 0.004 0.000 0.300 211 N C -1.911 173.653 175.510 0.090 0.000 1.047 211 N CA -0.297 52.873 53.050 0.200 0.000 0.821 211 N CB 2.207 40.807 38.487 0.189 0.000 1.337 211 N HN 0.649 nan 8.380 nan 0.000 0.482 212 W N 3.258 124.432 121.300 -0.210 0.000 2.632 212 W HA 0.580 5.242 4.660 0.004 0.000 0.328 212 W C -1.614 174.738 176.519 -0.279 0.000 1.044 212 W CA -0.505 56.756 57.345 -0.140 0.000 1.225 212 W CB 0.694 30.115 29.460 -0.064 0.000 1.396 212 W HN 0.413 nan 8.180 nan 0.000 0.499 213 Y N 3.913 123.651 120.300 -0.937 0.000 2.512 213 Y HA 0.262 4.814 4.550 0.004 0.000 0.348 213 Y C -0.406 174.678 175.900 -1.361 0.000 0.990 213 Y CA -1.224 56.264 58.100 -1.019 0.000 1.033 213 Y CB 1.773 40.038 38.460 -0.326 0.000 1.259 213 Y HN 0.305 nan 8.280 nan 0.000 0.461 214 D N 1.530 121.435 120.400 -0.826 0.000 2.454 214 D HA 0.143 4.785 4.640 0.004 0.000 0.225 214 D C -0.312 175.904 176.300 -0.139 0.000 1.081 214 D CA -0.157 53.648 54.000 -0.325 0.000 0.864 214 D CB 0.508 41.276 40.800 -0.053 0.000 1.040 214 D HN 0.570 nan 8.370 nan 0.000 0.517 215 N N 2.849 121.478 118.700 -0.118 0.000 2.421 215 N HA 0.102 4.845 4.740 0.004 0.000 0.201 215 N C 1.339 176.782 175.510 -0.111 0.000 1.198 215 N CA 0.482 53.460 53.050 -0.119 0.000 0.838 215 N CB 0.456 38.868 38.487 -0.125 0.000 1.011 215 N HN 0.751 nan 8.380 nan 0.000 0.463 216 G N 1.563 110.312 108.800 -0.085 0.000 2.629 216 G HA2 -0.343 3.619 3.960 0.004 0.000 0.313 216 G HA3 -0.343 3.619 3.960 0.004 0.000 0.313 216 G C 0.765 175.632 174.900 -0.054 0.000 1.217 216 G CA 0.231 45.289 45.100 -0.069 0.000 0.994 216 G HN 0.332 nan 8.290 nan 0.000 0.549 217 L N 1.587 122.772 121.223 -0.064 0.000 2.552 217 L HA 0.185 4.528 4.340 0.004 0.000 0.227 217 L C 2.072 178.908 176.870 -0.058 0.000 1.146 217 L CA 0.766 55.575 54.840 -0.051 0.000 0.858 217 L CB -0.503 41.524 42.059 -0.054 0.000 0.969 217 L HN 0.549 nan 8.230 nan 0.000 0.451 218 S N -0.145 115.512 115.700 -0.073 0.000 2.560 218 S HA -0.073 4.400 4.470 0.004 0.000 0.276 218 S C 1.651 176.211 174.600 -0.067 0.000 1.350 218 S CA 0.277 58.432 58.200 -0.075 0.000 1.024 218 S CB 0.965 64.110 63.200 -0.091 0.000 0.864 218 S HN 0.448 nan 8.310 nan 0.000 0.536 219 T N 2.095 116.610 114.554 -0.065 0.000 2.962 219 T HA 0.024 4.377 4.350 0.004 0.000 0.270 219 T C 1.879 176.529 174.700 -0.083 0.000 1.088 219 T CA 0.895 62.959 62.100 -0.060 0.000 1.127 219 T CB -0.581 68.256 68.868 -0.051 0.000 0.883 219 T HN 0.699 nan 8.240 nan 0.000 0.493 220 A N 1.809 124.560 122.820 -0.116 0.000 1.902 220 A HA 0.450 4.773 4.320 0.004 0.000 0.217 220 A C 1.826 179.327 177.584 -0.139 0.000 1.181 220 A CA 1.245 53.176 52.037 -0.177 0.000 0.623 220 A CB -1.381 17.480 19.000 -0.231 0.000 0.818 220 A HN 1.379 nan 8.150 nan 0.000 0.443 221 G N -0.765 107.978 108.800 -0.094 0.000 2.642 221 G HA2 -0.123 3.840 3.960 0.004 0.000 0.231 221 G HA3 -0.123 3.840 3.960 0.004 0.000 0.231 221 G C -0.922 173.945 174.900 -0.055 0.000 1.338 221 G CA -0.115 44.954 45.100 -0.051 0.000 0.883 221 G HN 0.478 nan 8.290 nan 0.000 0.570 222 D N 0.748 121.147 120.400 -0.001 0.000 2.419 222 D HA 0.463 5.105 4.640 0.004 0.000 0.236 222 D C 0.771 177.071 176.300 -0.001 0.000 1.165 222 D CA 0.868 54.868 54.000 -0.000 0.000 0.882 222 D CB 0.924 41.837 40.800 0.187 0.000 1.201 222 D HN 0.741 nan 8.370 nan 0.000 0.443 223 Q N 0.001 119.783 119.800 -0.030 0.000 2.379 223 Q HA 0.600 4.942 4.340 0.004 0.000 0.278 223 Q C -2.034 174.072 176.000 0.178 0.000 1.068 223 Q CA -0.863 54.986 55.803 0.078 0.000 0.816 223 Q CB 2.455 31.245 28.738 0.085 0.000 1.387 223 Q HN 0.305 nan 8.270 nan 0.000 0.413 224 V N 2.063 122.130 119.914 0.255 0.000 2.709 224 V HA 0.766 4.888 4.120 0.004 0.000 0.308 224 V C -1.593 174.691 176.094 0.317 0.000 1.062 224 V CA 0.009 62.487 62.300 0.297 0.000 0.901 224 V CB 2.389 34.389 31.823 0.295 0.000 1.003 224 V HN 0.883 nan 8.190 nan 0.000 0.425 225 T N 7.638 122.389 114.554 0.329 0.000 2.848 225 T HA 0.608 4.960 4.350 0.004 0.000 0.285 225 T C -1.106 173.814 174.700 0.367 0.000 0.995 225 T CA -0.237 62.084 62.100 0.368 0.000 0.970 225 T CB 1.273 70.361 68.868 0.366 0.000 0.976 225 T HN 0.813 nan 8.240 nan 0.000 0.441 226 L N 5.288 126.729 121.223 0.364 0.000 2.333 226 L HA 0.796 5.138 4.340 0.004 0.000 0.280 226 L C -1.350 175.739 176.870 0.365 0.000 1.004 226 L CA -0.614 54.392 54.840 0.276 0.000 0.820 226 L CB 0.619 42.786 42.059 0.181 0.000 1.247 226 L HN 0.725 nan 8.230 nan 0.000 0.416 227 Y N 2.484 122.912 120.300 0.214 0.000 2.644 227 Y HA 1.013 5.565 4.550 0.005 0.000 0.338 227 Y C -0.343 175.680 175.900 0.206 0.000 1.119 227 Y CA -0.916 57.325 58.100 0.236 0.000 1.060 227 Y CB 1.514 40.110 38.460 0.225 0.000 1.294 227 Y HN 0.800 nan 8.280 nan 0.000 0.472 228 G N 1.156 110.141 108.800 0.308 0.000 2.673 228 G HA2 0.516 4.478 3.960 0.004 0.000 0.292 228 G HA3 0.516 4.478 3.960 0.004 0.000 0.292 228 G C -2.417 172.663 174.900 0.301 0.000 1.450 228 G CA -1.306 43.931 45.100 0.227 0.000 0.837 228 G HN 1.158 nan 8.290 nan 0.000 0.505 229 N N -0.929 117.923 118.700 0.253 0.000 2.396 229 N HA 0.521 5.264 4.740 0.004 0.000 0.275 229 N C -2.245 173.346 175.510 0.136 0.000 1.218 229 N CA -0.718 52.452 53.050 0.201 0.000 0.812 229 N CB 2.912 41.492 38.487 0.155 0.000 1.592 229 N HN 0.483 nan 8.380 nan 0.000 0.480 230 Y N 0.182 120.453 120.300 -0.049 0.000 2.396 230 Y HA 0.569 5.121 4.550 0.003 0.000 0.332 230 Y C -1.164 174.542 175.900 -0.324 0.000 1.034 230 Y CA -0.529 57.425 58.100 -0.243 0.000 1.057 230 Y CB 2.011 40.286 38.460 -0.309 0.000 1.220 230 Y HN 0.884 nan 8.280 nan 0.000 0.440 231 A N 5.033 127.576 122.820 -0.463 0.000 2.274 231 A HA 0.651 4.973 4.320 0.004 0.000 0.309 231 A C -1.639 175.766 177.584 -0.299 0.000 1.226 231 A CA -0.300 51.577 52.037 -0.268 0.000 0.853 231 A CB -0.105 18.764 19.000 -0.219 0.000 1.146 231 A HN 0.616 nan 8.150 nan 0.000 0.518 232 F N 2.988 123.009 119.950 0.118 0.000 2.389 232 F HA 0.496 5.025 4.527 0.003 0.000 0.327 232 F C 1.301 177.145 175.800 0.074 0.000 1.204 232 F CA 0.537 58.614 58.000 0.128 0.000 1.209 232 F CB 0.698 39.786 39.000 0.146 0.000 1.460 232 F HN 1.104 nan 8.300 nan 0.000 0.537 233 G N 1.810 110.700 108.800 0.151 0.000 2.609 233 G HA2 -0.312 3.651 3.960 0.004 0.000 0.288 233 G HA3 -0.312 3.651 3.960 0.004 0.000 0.288 233 G C 1.129 176.051 174.900 0.036 0.000 1.211 233 G CA 0.281 45.434 45.100 0.088 0.000 0.963 233 G HN 0.793 nan 8.290 nan 0.000 0.541 234 A N -0.066 122.774 122.820 0.034 0.000 2.267 234 A HA 0.606 4.928 4.320 0.004 0.000 0.213 234 A C 1.365 178.913 177.584 -0.060 0.000 1.192 234 A CA 2.226 54.196 52.037 -0.111 0.000 0.851 234 A CB -0.179 18.638 19.000 -0.305 0.000 0.881 234 A HN 2.027 nan 8.150 nan 0.000 0.494 235 T N -0.527 114.129 114.554 0.171 0.000 2.895 235 T HA 0.547 4.899 4.350 0.004 0.000 0.283 235 T C -0.564 174.278 174.700 0.238 0.000 1.014 235 T CA -0.221 62.036 62.100 0.262 0.000 1.037 235 T CB 1.241 70.342 68.868 0.388 0.000 1.006 235 T HN 0.004 nan 8.240 nan 0.000 0.468 236 T N 3.612 118.283 114.554 0.195 0.000 2.812 236 T HA 0.545 4.897 4.350 0.004 0.000 0.282 236 T C -0.624 174.200 174.700 0.206 0.000 0.990 236 T CA -0.548 61.645 62.100 0.155 0.000 0.960 236 T CB 1.356 70.266 68.868 0.070 0.000 0.948 236 T HN 0.588 nan 8.240 nan 0.000 0.438 237 V N 4.904 124.968 119.914 0.249 0.000 2.435 237 V HA 0.562 4.684 4.120 0.004 0.000 0.290 237 V C 0.062 176.287 176.094 0.218 0.000 1.030 237 V CA -0.734 61.721 62.300 0.258 0.000 0.881 237 V CB 1.348 33.387 31.823 0.359 0.000 0.983 237 V HN 0.741 nan 8.190 nan 0.000 0.445 238 R N 3.113 123.734 120.500 0.202 0.000 2.807 238 R HA 0.937 5.280 4.340 0.004 0.000 0.276 238 R C -0.883 175.554 176.300 0.228 0.000 0.979 238 R CA -0.691 55.541 56.100 0.219 0.000 0.928 238 R CB 2.408 32.830 30.300 0.204 0.000 1.191 238 R HN 0.780 nan 8.270 nan 0.000 0.471 239 A N 1.373 124.356 122.820 0.272 0.000 2.606 239 A HA 0.734 5.056 4.320 0.004 0.000 0.293 239 A C -1.921 175.882 177.584 0.365 0.000 1.082 239 A CA -0.797 51.384 52.037 0.239 0.000 0.685 239 A CB 1.532 20.632 19.000 0.167 0.000 1.284 239 A HN 0.798 nan 8.150 nan 0.000 0.408 240 Y N -1.566 118.871 120.300 0.227 0.000 2.641 240 Y HA 0.715 5.267 4.550 0.004 0.000 0.333 240 Y C -1.095 174.952 175.900 0.245 0.000 1.174 240 Y CA -1.156 57.096 58.100 0.253 0.000 1.057 240 Y CB 1.088 39.704 38.460 0.261 0.000 1.322 240 Y HN 1.472 nan 8.280 nan 0.000 0.457 241 V N -0.347 119.798 119.914 0.385 0.000 2.709 241 V HA 0.907 5.029 4.120 0.004 0.000 0.308 241 V C -0.902 175.467 176.094 0.459 0.000 1.062 241 V CA -0.446 62.038 62.300 0.307 0.000 0.901 241 V CB 1.304 33.237 31.823 0.183 0.000 1.003 241 V HN 1.069 nan 8.190 nan 0.000 0.425 242 S N 1.985 117.963 115.700 0.463 0.000 2.541 242 S HA 0.654 5.126 4.470 0.004 0.000 0.280 242 S C -1.541 173.349 174.600 0.484 0.000 1.112 242 S CA -0.580 57.909 58.200 0.481 0.000 0.925 242 S CB 1.774 65.317 63.200 0.571 0.000 1.067 242 S HN 0.976 nan 8.310 nan 0.000 0.479 243 D N 2.862 123.497 120.400 0.390 0.000 2.457 243 D HA 0.566 5.209 4.640 0.004 0.000 0.240 243 D C -0.304 176.091 176.300 0.158 0.000 1.041 243 D CA -0.302 53.876 54.000 0.297 0.000 0.861 243 D CB 1.895 42.816 40.800 0.201 0.000 1.394 243 D HN 0.673 nan 8.370 nan 0.000 0.473 244 I N -2.235 118.338 120.570 0.005 0.000 3.067 244 I HA 0.447 4.619 4.170 0.004 0.000 0.312 244 I C 0.071 176.155 176.117 -0.055 0.000 1.073 244 I CA -0.807 60.408 61.300 -0.141 0.000 1.016 244 I CB 1.926 39.647 38.000 -0.465 0.000 1.227 244 I HN -0.041 nan 8.210 nan 0.000 0.456 245 D N 0.640 121.012 120.400 -0.048 0.000 2.333 245 D HA 0.027 4.669 4.640 0.004 0.000 0.208 245 D C 0.838 177.122 176.300 -0.026 0.000 0.984 245 D CA 0.513 54.508 54.000 -0.008 0.000 0.873 245 D CB 0.076 40.883 40.800 0.012 0.000 0.935 245 D HN 0.430 nan 8.370 nan 0.000 0.521 246 R N 1.162 121.621 120.500 -0.068 0.000 2.494 246 R HA 0.080 4.422 4.340 0.004 0.000 0.291 246 R C -0.138 176.147 176.300 -0.024 0.000 0.953 246 R CA -0.151 55.915 56.100 -0.056 0.000 1.098 246 R CB 0.265 30.512 30.300 -0.089 0.000 0.911 246 R HN -0.079 nan 8.270 nan 0.000 0.407 247 A N 3.715 126.529 122.820 -0.010 0.000 2.566 247 A HA 0.290 4.612 4.320 0.004 0.000 0.245 247 A C 1.432 179.020 177.584 0.007 0.000 1.056 247 A CA 0.752 52.791 52.037 0.002 0.000 0.757 247 A CB -0.310 18.692 19.000 0.003 0.000 0.979 247 A HN 1.156 nan 8.150 nan 0.000 0.508 248 G N 1.075 109.885 108.800 0.017 0.000 2.199 248 G HA2 0.121 4.083 3.960 0.004 0.000 0.254 248 G HA3 0.121 4.083 3.960 0.004 0.000 0.254 248 G C 0.682 175.603 174.900 0.035 0.000 0.982 248 G CA 0.528 45.642 45.100 0.023 0.000 0.632 248 G HN 2.266 nan 8.290 nan 0.000 0.529 249 A N 0.452 123.296 122.820 0.039 0.000 2.483 249 A HA 0.497 4.819 4.320 0.004 0.000 0.238 249 A C 0.454 178.101 177.584 0.106 0.000 1.070 249 A CA 0.500 52.582 52.037 0.076 0.000 0.770 249 A CB 0.279 19.318 19.000 0.066 0.000 1.008 249 A HN 0.344 nan 8.150 nan 0.000 0.497 250 D N 0.837 121.310 120.400 0.121 0.000 2.344 250 D HA 0.266 4.908 4.640 0.004 0.000 0.244 250 D C 0.054 176.468 176.300 0.189 0.000 1.134 250 D CA 0.421 54.489 54.000 0.113 0.000 0.930 250 D CB 0.545 41.377 40.800 0.052 0.000 1.175 250 D HN 0.465 nan 8.370 nan 0.000 0.437 251 T N 0.841 115.499 114.554 0.174 0.000 2.834 251 T HA 0.402 4.755 4.350 0.004 0.000 0.298 251 T C 0.273 175.077 174.700 0.173 0.000 0.966 251 T CA -0.490 61.740 62.100 0.217 0.000 1.141 251 T CB 0.711 69.693 68.868 0.190 0.000 0.905 251 T HN 0.378 nan 8.240 nan 0.000 0.535 252 A N 3.819 126.694 122.820 0.091 0.000 2.340 252 A HA 0.718 5.040 4.320 0.004 0.000 0.268 252 A C -0.571 177.055 177.584 0.070 0.000 1.100 252 A CA -0.581 51.340 52.037 -0.192 0.000 0.803 252 A CB 0.073 18.687 19.000 -0.643 0.000 1.043 252 A HN 0.932 nan 8.150 nan 0.000 0.488 253 Y N -1.549 118.618 120.300 -0.221 0.000 2.677 253 Y HA 0.737 5.290 4.550 0.004 0.000 0.334 253 Y C -0.248 175.277 175.900 -0.626 0.000 1.196 253 Y CA -0.690 57.110 58.100 -0.500 0.000 1.059 253 Y CB 0.670 38.969 38.460 -0.269 0.000 1.315 253 Y HN 1.216 nan 8.280 nan 0.000 0.455 254 G N 0.857 109.201 108.800 -0.760 0.000 2.673 254 G HA2 0.598 4.560 3.960 0.004 0.000 0.292 254 G HA3 0.598 4.560 3.960 0.004 0.000 0.292 254 G C -2.703 172.152 174.900 -0.075 0.000 1.450 254 G CA -0.802 44.093 45.100 -0.341 0.000 0.837 254 G HN 0.970 nan 8.290 nan 0.000 0.505 255 I N 0.249 120.856 120.570 0.061 0.000 2.607 255 I HA 0.891 5.064 4.170 0.004 0.000 0.290 255 I C -0.039 176.149 176.117 0.118 0.000 1.129 255 I CA -0.580 60.783 61.300 0.105 0.000 1.042 255 I CB 1.828 39.888 38.000 0.100 0.000 1.242 255 I HN 1.131 nan 8.210 nan 0.000 0.421 256 G N 4.820 113.702 108.800 0.137 0.000 2.682 256 G HA2 0.935 4.897 3.960 0.004 0.000 0.290 256 G HA3 0.935 4.897 3.960 0.004 0.000 0.290 256 G C -2.174 172.810 174.900 0.139 0.000 1.425 256 G CA -0.325 44.853 45.100 0.130 0.000 0.807 256 G HN 1.044 nan 8.290 nan 0.000 0.482 257 A N 0.203 123.101 122.820 0.129 0.000 2.515 257 A HA 0.777 5.100 4.320 0.004 0.000 0.298 257 A C -1.893 175.774 177.584 0.138 0.000 1.059 257 A CA -0.668 51.456 52.037 0.145 0.000 0.698 257 A CB 2.036 21.124 19.000 0.145 0.000 1.289 257 A HN 0.446 nan 8.150 nan 0.000 0.404 258 D N 0.782 121.272 120.400 0.150 0.000 2.502 258 D HA 0.394 5.036 4.640 0.004 0.000 0.249 258 D C -1.731 174.685 176.300 0.193 0.000 1.092 258 D CA 0.258 54.341 54.000 0.139 0.000 0.839 258 D CB 1.744 42.594 40.800 0.084 0.000 1.264 258 D HN 0.438 nan 8.370 nan 0.000 0.511 259 Y N 1.712 122.054 120.300 0.070 0.000 2.334 259 Y HA 0.228 4.780 4.550 0.004 0.000 0.336 259 Y C -0.065 175.897 175.900 0.102 0.000 0.960 259 Y CA -0.829 57.324 58.100 0.089 0.000 1.164 259 Y CB 1.292 39.804 38.460 0.086 0.000 1.155 259 Y HN 0.120 nan 8.280 nan 0.000 0.478 260 Q N 5.838 125.405 119.800 -0.387 0.000 2.431 260 Q HA 0.111 4.453 4.340 0.004 0.000 0.234 260 Q C 0.171 175.963 176.000 -0.347 0.000 1.203 260 Q CA 0.252 55.900 55.803 -0.258 0.000 0.902 260 Q CB -0.308 28.308 28.738 -0.204 0.000 1.455 260 Q HN 0.824 nan 8.270 nan 0.000 0.515 261 F N 2.400 122.215 119.950 -0.225 0.000 2.186 261 F HA 0.202 4.732 4.527 0.004 0.000 0.299 261 F C 0.313 176.087 175.800 -0.043 0.000 1.090 261 F CA 1.005 58.977 58.000 -0.048 0.000 1.307 261 F CB 0.237 39.306 39.000 0.114 0.000 1.019 261 F HN 0.520 nan 8.300 nan 0.000 0.489 262 A N -0.732 122.035 122.820 -0.089 0.000 2.564 262 A HA 0.328 4.650 4.320 0.004 0.000 0.291 262 A C -0.806 176.751 177.584 -0.045 0.000 1.102 262 A CA -0.689 51.250 52.037 -0.164 0.000 0.660 262 A CB 0.068 18.959 19.000 -0.183 0.000 1.283 262 A HN 0.109 nan 8.150 nan 0.000 0.430 263 E N -0.099 120.076 120.200 -0.042 0.000 2.452 263 E HA 0.345 4.698 4.350 0.004 0.000 0.261 263 E C 1.248 177.868 176.600 0.033 0.000 0.987 263 E CA 1.372 57.764 56.400 -0.012 0.000 0.926 263 E CB 0.140 29.833 29.700 -0.011 0.000 0.934 263 E HN 2.113 nan 8.360 nan 0.000 0.452 264 G N 2.644 111.464 108.800 0.034 0.000 2.212 264 G HA2 -0.267 3.695 3.960 0.004 0.000 0.266 264 G HA3 -0.267 3.695 3.960 0.004 0.000 0.266 264 G C -0.037 174.937 174.900 0.123 0.000 0.978 264 G CA 0.281 45.423 45.100 0.071 0.000 0.632 264 G HN 0.524 nan 8.290 nan 0.000 0.537 265 V N 0.951 120.947 119.914 0.136 0.000 2.443 265 V HA 0.676 4.799 4.120 0.004 0.000 0.293 265 V C 0.029 176.221 176.094 0.164 0.000 1.021 265 V CA -0.665 61.758 62.300 0.206 0.000 0.848 265 V CB 1.855 33.872 31.823 0.324 0.000 0.998 265 V HN 0.361 nan 8.190 nan 0.000 0.424 266 K N 4.044 124.511 120.400 0.112 0.000 2.471 266 K HA 0.694 5.017 4.320 0.004 0.000 0.252 266 K C -1.619 175.019 176.600 0.063 0.000 0.938 266 K CA -0.510 55.825 56.287 0.080 0.000 0.796 266 K CB 2.321 34.834 32.500 0.021 0.000 1.161 266 K HN 0.457 nan 8.250 nan 0.000 0.425 267 V N 3.014 122.988 119.914 0.101 0.000 2.383 267 V HA 0.375 4.498 4.120 0.004 0.000 0.275 267 V C -0.460 175.687 176.094 0.089 0.000 1.036 267 V CA -0.395 61.936 62.300 0.053 0.000 0.889 267 V CB 1.311 33.165 31.823 0.052 0.000 0.985 267 V HN 0.769 nan 8.190 nan 0.000 0.459 268 S N 2.574 118.311 115.700 0.061 0.000 2.541 268 S HA 0.892 5.365 4.470 0.004 0.000 0.280 268 S C 0.066 174.738 174.600 0.120 0.000 1.112 268 S CA -0.509 57.752 58.200 0.102 0.000 0.925 268 S CB 2.137 65.405 63.200 0.113 0.000 1.067 268 S HN 1.087 nan 8.310 nan 0.000 0.479 269 G N 0.719 109.587 108.800 0.113 0.000 2.660 269 G HA2 0.777 4.739 3.960 0.004 0.000 0.294 269 G HA3 0.777 4.739 3.960 0.004 0.000 0.294 269 G C -1.154 173.811 174.900 0.108 0.000 1.369 269 G CA -0.653 44.516 45.100 0.115 0.000 0.912 269 G HN 1.088 nan 8.290 nan 0.000 0.479 270 S N -1.511 114.252 115.700 0.105 0.000 2.552 270 S HA 0.683 5.155 4.470 0.004 0.000 0.272 270 S C -1.686 172.969 174.600 0.091 0.000 1.150 270 S CA -0.679 57.579 58.200 0.097 0.000 0.849 270 S CB 1.802 65.060 63.200 0.097 0.000 1.113 270 S HN 1.144 nan 8.310 nan 0.000 0.458 271 V N 2.340 122.305 119.914 0.085 0.000 2.483 271 V HA 0.615 4.737 4.120 0.004 0.000 0.297 271 V C -0.624 175.500 176.094 0.050 0.000 1.027 271 V CA -0.363 61.983 62.300 0.077 0.000 0.855 271 V CB 1.281 33.146 31.823 0.070 0.000 0.995 271 V HN 0.955 nan 8.190 nan 0.000 0.424 272 Q N 1.935 121.761 119.800 0.042 0.000 2.456 272 Q HA 0.757 5.100 4.340 0.004 0.000 0.283 272 Q C -1.012 174.944 176.000 -0.073 0.000 1.084 272 Q CA -0.731 55.072 55.803 0.000 0.000 0.801 272 Q CB 2.799 31.645 28.738 0.181 0.000 1.434 272 Q HN 0.632 nan 8.270 nan 0.000 0.419 273 S N -0.401 115.094 115.700 -0.342 0.000 2.571 273 S HA 0.735 5.208 4.470 0.004 0.000 0.284 273 S C -0.594 173.546 174.600 -0.767 0.000 1.128 273 S CA -0.384 57.502 58.200 -0.524 0.000 0.970 273 S CB 1.210 63.881 63.200 -0.881 0.000 1.039 273 S HN 0.735 nan 8.310 nan 0.000 0.485 274 G N 2.027 110.183 108.800 -1.074 0.000 2.532 274 G HA2 0.491 4.453 3.960 0.004 0.000 0.291 274 G HA3 0.491 4.453 3.960 0.004 0.000 0.291 274 G C 0.150 174.470 174.900 -0.966 0.000 1.349 274 G CA -0.587 43.374 45.100 -1.898 0.000 1.038 274 G HN 0.663 nan 8.290 nan 0.000 0.518 275 F N 0.111 119.740 119.950 -0.535 0.000 2.407 275 F HA 0.162 4.691 4.527 0.004 0.000 0.299 275 F C 2.420 178.125 175.800 -0.158 0.000 1.097 275 F CA 1.000 58.866 58.000 -0.223 0.000 1.422 275 F CB 0.058 38.987 39.000 -0.118 0.000 1.067 275 F HN 0.336 nan 8.300 nan 0.000 0.539 276 A N -0.531 122.259 122.820 -0.050 0.000 2.630 276 A HA 0.324 4.647 4.320 0.004 0.000 0.290 276 A C 0.780 178.320 177.584 -0.073 0.000 1.267 276 A CA -0.096 51.925 52.037 -0.028 0.000 0.950 276 A CB -0.688 18.309 19.000 -0.004 0.000 1.144 276 A HN 0.247 nan 8.150 nan 0.000 0.527 277 N N 0.073 118.696 118.700 -0.128 0.000 2.741 277 N HA -0.152 4.591 4.740 0.004 0.000 0.251 277 N C -0.573 174.863 175.510 -0.124 0.000 1.112 277 N CA 1.265 54.242 53.050 -0.121 0.000 0.750 277 N CB -1.456 37.001 38.487 -0.049 0.000 1.119 277 N HN 0.730 nan 8.380 nan 0.000 0.561 278 E N -0.343 119.758 120.200 -0.164 0.000 2.392 278 E HA 0.182 4.534 4.350 0.004 0.000 0.264 278 E C 0.031 176.584 176.600 -0.078 0.000 1.024 278 E CA 0.556 56.900 56.400 -0.093 0.000 0.903 278 E CB 0.526 30.200 29.700 -0.043 0.000 0.963 278 E HN 0.098 nan 8.360 nan 0.000 0.432 279 T N 2.318 116.857 114.554 -0.025 0.000 2.770 279 T HA 0.484 4.836 4.350 0.004 0.000 0.283 279 T C -0.878 173.857 174.700 0.059 0.000 0.988 279 T CA -0.757 61.361 62.100 0.030 0.000 0.957 279 T CB 0.576 69.498 68.868 0.089 0.000 0.930 279 T HN 0.330 nan 8.240 nan 0.000 0.443 280 V N 0.799 120.785 119.914 0.120 0.000 2.789 280 V HA 1.062 5.184 4.120 0.004 0.000 0.311 280 V C -0.654 175.550 176.094 0.183 0.000 1.073 280 V CA -1.131 61.240 62.300 0.119 0.000 0.921 280 V CB 1.455 33.316 31.823 0.063 0.000 1.009 280 V HN 1.038 nan 8.190 nan 0.000 0.426 281 A N 3.401 126.374 122.820 0.255 0.000 2.572 281 A HA 0.985 5.308 4.320 0.004 0.000 0.295 281 A C -1.177 176.522 177.584 0.191 0.000 1.072 281 A CA 0.030 52.193 52.037 0.210 0.000 0.691 281 A CB 2.056 21.178 19.000 0.203 0.000 1.291 281 A HN 1.661 nan 8.150 nan 0.000 0.404 282 D N -1.415 119.081 120.400 0.159 0.000 2.599 282 D HA 0.599 5.242 4.640 0.004 0.000 0.252 282 D C -1.613 174.816 176.300 0.216 0.000 1.232 282 D CA -0.647 53.487 54.000 0.224 0.000 0.819 282 D CB 1.930 42.855 40.800 0.208 0.000 1.401 282 D HN 1.144 nan 8.370 nan 0.000 0.429 283 V N 0.349 120.410 119.914 0.244 0.000 2.775 283 V HA 0.809 4.931 4.120 0.004 0.000 0.295 283 V C -0.554 175.385 176.094 -0.259 0.000 1.226 283 V CA 0.608 62.949 62.300 0.068 0.000 0.934 283 V CB 0.913 32.740 31.823 0.006 0.000 1.056 283 V HN 1.273 nan 8.190 nan 0.000 0.436 284 G N 4.323 112.854 108.800 -0.448 0.000 2.561 284 G HA2 0.694 4.656 3.960 0.004 0.000 0.310 284 G HA3 0.694 4.656 3.960 0.004 0.000 0.310 284 G C -1.670 172.929 174.900 -0.500 0.000 1.292 284 G CA 0.135 44.688 45.100 -0.911 0.000 0.811 284 G HN 1.270 nan 8.290 nan 0.000 0.482 285 V N -0.594 118.960 119.914 -0.600 0.000 2.914 285 V HA 0.847 4.970 4.120 0.004 0.000 0.314 285 V C -0.242 175.763 176.094 -0.149 0.000 1.084 285 V CA -1.010 61.090 62.300 -0.334 0.000 0.963 285 V CB 1.919 33.457 31.823 -0.476 0.000 1.025 285 V HN 0.938 nan 8.190 nan 0.000 0.432 286 R N 2.425 122.923 120.500 -0.003 0.000 2.575 286 R HA 0.715 5.057 4.340 0.004 0.000 0.293 286 R C -1.998 174.388 176.300 0.143 0.000 0.983 286 R CA -0.485 55.619 56.100 0.007 0.000 0.887 286 R CB 1.854 32.085 30.300 -0.115 0.000 1.184 286 R HN 0.766 nan 8.270 nan 0.000 0.445 287 F N 0.377 120.369 119.950 0.069 0.000 2.540 287 F HA 0.525 5.055 4.527 0.004 0.000 0.317 287 F C -1.117 174.719 175.800 0.058 0.000 1.104 287 F CA -1.359 56.700 58.000 0.098 0.000 0.913 287 F CB 1.474 40.585 39.000 0.185 0.000 1.170 287 F HN 0.325 nan 8.300 nan 0.000 0.450 288 D N 3.347 123.813 120.400 0.110 0.000 2.168 288 D HA 0.581 5.224 4.640 0.004 0.000 0.246 288 D C -0.680 175.661 176.300 0.068 0.000 1.050 288 D CA -0.010 53.937 54.000 -0.088 0.000 0.857 288 D CB 1.495 42.259 40.800 -0.061 0.000 1.169 288 D HN 0.438 nan 8.370 nan 0.000 0.453 289 F N 0.000 120.047 119.950 0.161 0.000 2.286 289 F HA 0.000 4.529 4.527 0.004 0.000 0.279 289 F CA 0.000 58.092 58.000 0.153 0.000 1.383 289 F CB 0.000 39.110 39.000 0.184 0.000 1.145 289 F HN 0.000 nan 8.300 nan 0.000 0.574