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 5prn_1_A DATA FIRST_RESID 1 DATA SEQUENCE MISLNGYGRF GLQYVEDRGV GLEDTIISSR LRINIVGTTE TDQGVTFGAK DATA SEQUENCE LRMQWDDGDA FAGTAGNAAQ FWTSYNGVTV SVGNVDTAFD SVALTWDSEM DATA SEQUENCE GYEASSFGDA QSSFFAYNWK 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 0.000 176.326 176.300 0.043 0.000 1.140 1 M CA 0.000 55.324 55.300 0.039 0.000 0.988 1 M CB 0.000 32.629 32.600 0.049 0.000 1.302 2 I N 3.386 123.981 120.570 0.043 0.000 2.436 2 I HA 0.516 4.688 4.170 0.004 0.000 0.289 2 I C -0.399 175.752 176.117 0.055 0.000 1.010 2 I CA -0.425 60.904 61.300 0.047 0.000 1.098 2 I CB 2.312 40.335 38.000 0.038 0.000 1.266 2 I HN 0.751 nan 8.210 nan 0.000 0.434 3 S N 6.637 122.378 115.700 0.068 0.000 2.566 3 S HA 0.845 5.317 4.470 0.004 0.000 0.298 3 S C -0.870 173.775 174.600 0.075 0.000 1.083 3 S CA -0.905 57.337 58.200 0.070 0.000 0.978 3 S CB 2.403 65.648 63.200 0.075 0.000 1.073 3 S HN 0.327 nan 8.310 nan 0.000 0.491 4 L N 2.554 123.823 121.223 0.078 0.000 2.362 4 L HA 0.670 5.013 4.340 0.004 0.000 0.275 4 L C -0.352 176.587 176.870 0.115 0.000 0.998 4 L CA -0.301 54.592 54.840 0.089 0.000 0.820 4 L CB 1.580 43.689 42.059 0.083 0.000 1.270 4 L HN 1.021 nan 8.230 nan 0.000 0.415 5 N N 1.021 119.790 118.700 0.116 0.000 2.853 5 N HA 0.947 5.690 4.740 0.004 0.000 0.258 5 N C -0.533 175.029 175.510 0.087 0.000 1.444 5 N CA -0.345 52.779 53.050 0.122 0.000 0.837 5 N CB 2.225 40.747 38.487 0.058 0.000 1.489 5 N HN 0.729 nan 8.380 nan 0.000 0.529 6 G N -1.646 107.109 108.800 -0.075 0.000 2.335 6 G HA2 0.430 4.392 3.960 0.004 0.000 0.291 6 G HA3 0.430 4.392 3.960 0.004 0.000 0.291 6 G C -2.312 172.057 174.900 -0.885 0.000 1.261 6 G CA -0.273 44.631 45.100 -0.326 0.000 0.871 6 G HN 1.235 nan 8.290 nan 0.000 0.491 7 Y N -1.799 117.894 120.300 -1.012 0.000 2.624 7 Y HA 0.803 5.356 4.550 0.005 0.000 0.334 7 Y C -0.121 175.377 175.900 -0.671 0.000 1.155 7 Y CA -1.007 56.442 58.100 -1.084 0.000 1.046 7 Y CB 1.166 39.260 38.460 -0.610 0.000 1.316 7 Y HN 1.324 nan 8.280 nan 0.000 0.457 8 G N 1.628 110.072 108.800 -0.593 0.000 2.481 8 G HA2 0.747 4.710 3.960 0.004 0.000 0.315 8 G HA3 0.747 4.710 3.960 0.004 0.000 0.315 8 G C -1.718 172.936 174.900 -0.411 0.000 1.231 8 G CA -1.475 43.369 45.100 -0.426 0.000 0.968 8 G HN 1.022 nan 8.290 nan 0.000 0.482 9 R N -0.376 120.157 120.500 0.055 0.000 2.668 9 R HA 0.800 5.143 4.340 0.004 0.000 0.272 9 R C -1.651 174.878 176.300 0.381 0.000 1.019 9 R CA -0.925 55.266 56.100 0.152 0.000 0.894 9 R CB 1.862 32.283 30.300 0.201 0.000 1.228 9 R HN 0.795 nan 8.270 nan 0.000 0.460 10 F N -1.139 118.944 119.950 0.222 0.000 2.668 10 F HA 0.908 5.438 4.527 0.005 0.000 0.309 10 F C -0.594 175.080 175.800 -0.210 0.000 1.117 10 F CA -0.297 57.799 58.000 0.161 0.000 0.951 10 F CB 1.668 40.773 39.000 0.175 0.000 1.323 10 F HN 0.990 nan 8.300 nan 0.000 0.451 11 G N 0.776 109.592 108.800 0.028 0.000 2.335 11 G HA2 0.440 4.402 3.960 0.004 0.000 0.291 11 G HA3 0.440 4.402 3.960 0.004 0.000 0.291 11 G C -2.556 172.360 174.900 0.027 0.000 1.261 11 G CA -1.050 43.819 45.100 -0.384 0.000 0.871 11 G HN 0.840 nan 8.290 nan 0.000 0.491 12 L N 0.871 122.112 121.223 0.030 0.000 2.307 12 L HA 0.651 4.994 4.340 0.004 0.000 0.284 12 L C 0.006 177.043 176.870 0.278 0.000 1.023 12 L CA -0.588 54.348 54.840 0.160 0.000 0.810 12 L CB 1.958 44.077 42.059 0.099 0.000 1.231 12 L HN 0.585 nan 8.230 nan 0.000 0.423 13 Q N 3.114 123.063 119.800 0.249 0.000 2.325 13 Q HA 0.303 4.645 4.340 0.004 0.000 0.270 13 Q C -1.985 174.137 176.000 0.204 0.000 1.020 13 Q CA -0.686 55.248 55.803 0.218 0.000 0.785 13 Q CB 2.200 31.024 28.738 0.143 0.000 1.259 13 Q HN 0.564 nan 8.270 nan 0.000 0.452 14 Y N 3.586 123.927 120.300 0.068 0.000 2.341 14 Y HA 0.548 5.100 4.550 0.004 0.000 0.338 14 Y C -1.654 174.270 175.900 0.040 0.000 0.965 14 Y CA -0.640 57.490 58.100 0.050 0.000 1.108 14 Y CB 1.444 39.933 38.460 0.049 0.000 1.180 14 Y HN 0.343 nan 8.280 nan 0.000 0.458 15 V N 6.764 126.329 119.914 -0.581 0.000 2.380 15 V HA 0.187 4.309 4.120 0.004 0.000 0.286 15 V C -0.306 175.333 176.094 -0.758 0.000 1.015 15 V CA -1.074 60.925 62.300 -0.501 0.000 0.834 15 V CB 1.273 32.966 31.823 -0.217 0.000 1.009 15 V HN 0.822 nan 8.190 nan 0.000 0.428 16 E N 4.327 124.059 120.200 -0.780 0.000 2.480 16 E HA -0.010 4.343 4.350 0.004 0.000 0.258 16 E C -0.295 176.178 176.600 -0.213 0.000 0.984 16 E CA 0.138 56.257 56.400 -0.470 0.000 0.930 16 E CB 0.238 29.871 29.700 -0.111 0.000 0.936 16 E HN 0.720 nan 8.360 nan 0.000 0.466 17 D N 3.153 123.475 120.400 -0.130 0.000 2.737 17 D HA -0.233 4.409 4.640 0.004 0.000 0.238 17 D C 0.718 176.970 176.300 -0.080 0.000 1.157 17 D CA 0.720 54.680 54.000 -0.066 0.000 0.694 17 D CB -0.611 40.169 40.800 -0.034 0.000 1.021 17 D HN 0.633 nan 8.370 nan 0.000 0.420 18 R N 0.213 120.653 120.500 -0.100 0.000 2.127 18 R HA 0.001 4.343 4.340 0.004 0.000 0.238 18 R C 1.169 177.439 176.300 -0.049 0.000 1.134 18 R CA 1.667 57.718 56.100 -0.082 0.000 0.975 18 R CB 0.181 30.430 30.300 -0.086 0.000 0.865 18 R HN 0.439 nan 8.270 nan 0.000 0.447 19 G N -1.530 107.249 108.800 -0.035 0.000 2.361 19 G HA2 0.122 4.085 3.960 0.004 0.000 0.299 19 G HA3 0.122 4.085 3.960 0.004 0.000 0.299 19 G C -1.522 173.369 174.900 -0.015 0.000 1.544 19 G CA -0.891 44.194 45.100 -0.024 0.000 0.860 19 G HN 0.001 nan 8.290 nan 0.000 0.610 20 V N 1.452 121.359 119.914 -0.011 0.000 2.509 20 V HA 0.363 4.485 4.120 0.004 0.000 0.297 20 V C 1.797 177.889 176.094 -0.004 0.000 1.014 20 V CA 2.246 64.543 62.300 -0.006 0.000 1.127 20 V CB 0.675 32.495 31.823 -0.005 0.000 0.925 20 V HN 2.552 nan 8.190 nan 0.000 0.480 21 G N 4.465 113.265 108.800 0.000 0.000 2.179 21 G HA2 -0.239 3.723 3.960 0.004 0.000 0.257 21 G HA3 -0.239 3.723 3.960 0.004 0.000 0.257 21 G C -0.189 174.712 174.900 0.002 0.000 1.010 21 G CA 0.381 45.483 45.100 0.002 0.000 0.736 21 G HN 0.581 nan 8.290 nan 0.000 0.513 22 L N -0.464 120.759 121.223 0.000 0.000 2.342 22 L HA 0.600 4.942 4.340 0.004 0.000 0.271 22 L C 0.146 177.020 176.870 0.007 0.000 1.008 22 L CA -1.312 53.528 54.840 -0.001 0.000 0.818 22 L CB 1.526 43.578 42.059 -0.011 0.000 1.296 22 L HN -0.102 nan 8.230 nan 0.000 0.427 23 E N 1.103 121.312 120.200 0.015 0.000 2.338 23 E HA 0.023 4.375 4.350 0.004 0.000 0.272 23 E C -0.020 176.595 176.600 0.026 0.000 1.029 23 E CA 0.071 56.489 56.400 0.031 0.000 0.872 23 E CB 1.199 30.923 29.700 0.040 0.000 1.015 23 E HN 0.411 nan 8.360 nan 0.000 0.417 24 D N 1.066 121.492 120.400 0.043 0.000 2.194 24 D HA -0.041 4.602 4.640 0.004 0.000 0.204 24 D C -0.095 176.245 176.300 0.067 0.000 0.964 24 D CA 1.045 55.045 54.000 -0.000 0.000 0.846 24 D CB 0.333 41.163 40.800 0.050 0.000 0.962 24 D HN 0.240 nan 8.370 nan 0.000 0.490 25 T N 1.711 116.363 114.554 0.164 0.000 2.758 25 T HA 0.544 4.897 4.350 0.004 0.000 0.285 25 T C 0.373 175.145 174.700 0.119 0.000 0.981 25 T CA -0.584 61.631 62.100 0.192 0.000 0.965 25 T CB 1.224 70.224 68.868 0.220 0.000 0.927 25 T HN 0.026 nan 8.240 nan 0.000 0.448 26 I N -0.265 120.372 120.570 0.113 0.000 3.108 26 I HA 0.677 4.849 4.170 0.004 0.000 0.312 26 I C -1.018 175.175 176.117 0.126 0.000 1.095 26 I CA -1.769 59.589 61.300 0.097 0.000 1.000 26 I CB 1.891 39.934 38.000 0.071 0.000 1.229 26 I HN 0.435 nan 8.210 nan 0.000 0.454 27 I N 2.768 123.413 120.570 0.125 0.000 2.291 27 I HA 0.209 4.381 4.170 0.004 0.000 0.292 27 I C 0.228 176.459 176.117 0.189 0.000 1.064 27 I CA 0.097 61.494 61.300 0.163 0.000 1.269 27 I CB 1.248 39.334 38.000 0.142 0.000 1.418 27 I HN 0.587 nan 8.210 nan 0.000 0.485 28 S N 5.316 121.165 115.700 0.248 0.000 2.462 28 S HA 0.740 5.213 4.470 0.004 0.000 0.294 28 S C -0.326 174.469 174.600 0.324 0.000 1.144 28 S CA -0.426 57.905 58.200 0.218 0.000 1.088 28 S CB 0.823 64.118 63.200 0.160 0.000 1.009 28 S HN 0.677 nan 8.310 nan 0.000 0.484 29 S N 4.067 119.914 115.700 0.244 0.000 2.556 29 S HA 0.730 5.203 4.470 0.004 0.000 0.271 29 S C -1.026 173.713 174.600 0.232 0.000 1.135 29 S CA -1.075 57.340 58.200 0.357 0.000 0.858 29 S CB 1.723 65.213 63.200 0.484 0.000 1.114 29 S HN 0.920 nan 8.310 nan 0.000 0.468 30 R N 0.712 121.383 120.500 0.284 0.000 2.604 30 R HA 0.701 5.043 4.340 0.004 0.000 0.281 30 R C -2.294 174.126 176.300 0.200 0.000 1.020 30 R CA -0.894 55.307 56.100 0.169 0.000 0.899 30 R CB 1.563 31.892 30.300 0.049 0.000 1.205 30 R HN 0.733 nan 8.270 nan 0.000 0.450 31 L N 3.728 125.084 121.223 0.222 0.000 2.333 31 L HA 0.592 4.934 4.340 0.004 0.000 0.280 31 L C -1.183 175.628 176.870 -0.099 0.000 1.004 31 L CA -0.296 54.602 54.840 0.097 0.000 0.820 31 L CB 1.529 43.714 42.059 0.210 0.000 1.247 31 L HN 0.708 nan 8.230 nan 0.000 0.416 32 R N 5.665 125.943 120.500 -0.370 0.000 2.480 32 R HA 0.706 5.049 4.340 0.004 0.000 0.306 32 R C -1.680 174.485 176.300 -0.225 0.000 0.958 32 R CA -0.573 55.266 56.100 -0.435 0.000 0.861 32 R CB 1.142 30.881 30.300 -0.936 0.000 1.171 32 R HN 0.791 nan 8.270 nan 0.000 0.445 33 I N 4.014 124.539 120.570 -0.075 0.000 2.418 33 I HA 0.311 4.484 4.170 0.004 0.000 0.287 33 I C -0.628 175.493 176.117 0.007 0.000 1.008 33 I CA -0.963 60.354 61.300 0.028 0.000 1.104 33 I CB 1.943 39.991 38.000 0.079 0.000 1.264 33 I HN 0.494 nan 8.210 nan 0.000 0.438 34 N N 7.529 126.239 118.700 0.017 0.000 2.400 34 N HA 0.561 5.304 4.740 0.004 0.000 0.288 34 N C -0.835 174.711 175.510 0.060 0.000 1.024 34 N CA -0.369 52.699 53.050 0.030 0.000 0.894 34 N CB 2.524 41.017 38.487 0.009 0.000 1.173 34 N HN 0.442 nan 8.380 nan 0.000 0.487 35 I N 1.865 122.476 120.570 0.069 0.000 2.355 35 I HA 0.305 4.478 4.170 0.004 0.000 0.288 35 I C -0.508 175.660 176.117 0.086 0.000 0.999 35 I CA -0.857 60.485 61.300 0.070 0.000 1.163 35 I CB 1.577 39.611 38.000 0.057 0.000 1.316 35 I HN -0.023 nan 8.210 nan 0.000 0.454 36 V N 5.243 125.216 119.914 0.098 0.000 2.407 36 V HA 0.582 4.704 4.120 0.004 0.000 0.291 36 V C 0.453 176.604 176.094 0.096 0.000 1.018 36 V CA -0.535 61.847 62.300 0.138 0.000 0.842 36 V CB 1.663 33.603 31.823 0.195 0.000 0.996 36 V HN 0.867 nan 8.190 nan 0.000 0.426 37 G N 2.739 111.566 108.800 0.044 0.000 2.343 37 G HA2 0.685 4.647 3.960 0.004 0.000 0.319 37 G HA3 0.685 4.647 3.960 0.004 0.000 0.319 37 G C -0.215 174.669 174.900 -0.027 0.000 1.126 37 G CA -0.305 44.803 45.100 0.013 0.000 0.889 37 G HN 0.765 nan 8.290 nan 0.000 0.457 38 T N -1.455 113.107 114.554 0.013 0.000 2.893 38 T HA 0.696 5.049 4.350 0.004 0.000 0.293 38 T C -0.552 174.171 174.700 0.039 0.000 1.027 38 T CA -0.760 61.348 62.100 0.013 0.000 0.988 38 T CB 2.177 71.106 68.868 0.103 0.000 1.043 38 T HN 0.307 nan 8.240 nan 0.000 0.461 39 T N 2.773 117.365 114.554 0.063 0.000 2.864 39 T HA 0.414 4.766 4.350 0.004 0.000 0.299 39 T C -0.546 174.248 174.700 0.157 0.000 1.011 39 T CA -0.654 61.501 62.100 0.092 0.000 0.975 39 T CB 0.946 69.855 68.868 0.068 0.000 0.962 39 T HN 0.683 nan 8.240 nan 0.000 0.448 40 E N 2.176 122.449 120.200 0.122 0.000 2.231 40 E HA 0.546 4.899 4.350 0.004 0.000 0.277 40 E C 0.219 176.894 176.600 0.125 0.000 0.999 40 E CA -0.777 55.701 56.400 0.130 0.000 0.827 40 E CB 1.272 31.031 29.700 0.100 0.000 1.101 40 E HN 0.649 nan 8.360 nan 0.000 0.393 41 T N -1.592 113.045 114.554 0.139 0.000 2.942 41 T HA 0.171 4.523 4.350 0.004 0.000 0.289 41 T C 0.508 175.266 174.700 0.096 0.000 1.044 41 T CA -0.899 61.273 62.100 0.120 0.000 1.023 41 T CB 1.291 70.252 68.868 0.156 0.000 1.123 41 T HN 0.440 nan 8.240 nan 0.000 0.512 42 D N -0.005 120.441 120.400 0.076 0.000 2.363 42 D HA -0.088 4.554 4.640 0.004 0.000 0.220 42 D C 1.440 177.786 176.300 0.076 0.000 0.994 42 D CA 0.490 54.531 54.000 0.068 0.000 0.890 42 D CB -0.125 40.706 40.800 0.051 0.000 0.906 42 D HN 0.468 nan 8.370 nan 0.000 0.530 43 Q N -0.026 119.823 119.800 0.082 0.000 2.451 43 Q HA 0.178 4.520 4.340 0.004 0.000 0.206 43 Q C 1.514 177.598 176.000 0.140 0.000 0.947 43 Q CA 0.840 56.691 55.803 0.080 0.000 0.937 43 Q CB 0.299 29.060 28.738 0.038 0.000 1.025 43 Q HN 0.543 nan 8.270 nan 0.000 0.511 44 G N 0.308 109.201 108.800 0.154 0.000 2.141 44 G HA2 -0.233 3.729 3.960 0.004 0.000 0.242 44 G HA3 -0.233 3.729 3.960 0.004 0.000 0.242 44 G C 0.037 175.102 174.900 0.276 0.000 0.982 44 G CA 0.212 45.442 45.100 0.218 0.000 0.662 44 G HN 0.214 nan 8.290 nan 0.000 0.527 45 V N 1.390 121.400 119.914 0.160 0.000 2.394 45 V HA 0.658 4.781 4.120 0.004 0.000 0.282 45 V C 0.571 176.660 176.094 -0.008 0.000 1.031 45 V CA -0.098 62.228 62.300 0.043 0.000 0.881 45 V CB 1.606 33.363 31.823 -0.111 0.000 0.982 45 V HN 0.268 nan 8.190 nan 0.000 0.451 46 T N 5.530 120.049 114.554 -0.059 0.000 2.859 46 T HA 0.693 5.046 4.350 0.004 0.000 0.281 46 T C -0.739 173.822 174.700 -0.233 0.000 1.005 46 T CA -0.049 62.053 62.100 0.004 0.000 1.025 46 T CB 0.788 69.737 68.868 0.134 0.000 0.977 46 T HN 0.310 nan 8.240 nan 0.000 0.458 47 F N 0.974 120.889 119.950 -0.058 0.000 2.495 47 F HA 0.722 5.252 4.527 0.004 0.000 0.327 47 F C 0.771 176.290 175.800 -0.469 0.000 1.103 47 F CA -0.631 57.239 58.000 -0.216 0.000 0.949 47 F CB 2.207 41.127 39.000 -0.132 0.000 1.142 47 F HN 0.719 nan 8.300 nan 0.000 0.457 48 G N 0.459 108.715 108.800 -0.907 0.000 2.690 48 G HA2 0.783 4.746 3.960 0.004 0.000 0.293 48 G HA3 0.783 4.746 3.960 0.004 0.000 0.293 48 G C -2.170 171.990 174.900 -1.232 0.000 1.399 48 G CA -0.953 43.297 45.100 -1.418 0.000 0.890 48 G HN 0.870 nan 8.290 nan 0.000 0.485 49 A N 0.628 123.009 122.820 -0.732 0.000 2.449 49 A HA 0.900 5.222 4.320 0.004 0.000 0.302 49 A C -0.579 176.956 177.584 -0.081 0.000 1.048 49 A CA -0.711 51.119 52.037 -0.346 0.000 0.708 49 A CB 2.080 20.980 19.000 -0.168 0.000 1.274 49 A HN 1.091 nan 8.150 nan 0.000 0.410 50 K N 1.401 121.816 120.400 0.025 0.000 2.477 50 K HA 0.812 5.135 4.320 0.004 0.000 0.255 50 K C -2.304 174.338 176.600 0.071 0.000 0.952 50 K CA -0.660 55.708 56.287 0.135 0.000 0.826 50 K CB 1.963 34.650 32.500 0.311 0.000 1.331 50 K HN 0.622 nan 8.250 nan 0.000 0.437 51 L N 1.736 123.013 121.223 0.089 0.000 2.388 51 L HA 0.592 4.934 4.340 0.004 0.000 0.264 51 L C -1.281 175.657 176.870 0.114 0.000 0.998 51 L CA -0.473 54.420 54.840 0.088 0.000 0.817 51 L CB 2.214 44.303 42.059 0.050 0.000 1.338 51 L HN 0.869 nan 8.230 nan 0.000 0.414 52 R N 3.887 124.462 120.500 0.125 0.000 2.670 52 R HA 0.780 5.123 4.340 0.004 0.000 0.289 52 R C -1.705 174.639 176.300 0.073 0.000 0.965 52 R CA -0.613 55.547 56.100 0.099 0.000 0.899 52 R CB 1.605 31.994 30.300 0.148 0.000 1.173 52 R HN 0.743 nan 8.270 nan 0.000 0.456 53 M N 3.797 123.428 119.600 0.051 0.000 2.085 53 M HA 0.284 4.766 4.480 0.004 0.000 0.309 53 M C -1.069 175.260 176.300 0.048 0.000 0.947 53 M CA -0.414 54.926 55.300 0.067 0.000 0.918 53 M CB 2.144 34.785 32.600 0.068 0.000 1.504 53 M HN 0.531 nan 8.290 nan 0.000 0.420 54 Q N 2.456 122.297 119.800 0.068 0.000 2.356 54 Q HA 0.515 4.858 4.340 0.004 0.000 0.270 54 Q C -2.123 173.966 176.000 0.147 0.000 1.058 54 Q CA -0.643 55.181 55.803 0.035 0.000 0.802 54 Q CB 2.682 31.386 28.738 -0.056 0.000 1.303 54 Q HN 0.750 nan 8.270 nan 0.000 0.444 55 W N 4.313 125.601 121.300 -0.021 0.000 2.702 55 W HA 0.501 5.164 4.660 0.004 0.000 0.331 55 W C -1.475 175.048 176.519 0.006 0.000 1.049 55 W CA -0.339 57.015 57.345 0.016 0.000 1.230 55 W CB 1.528 31.005 29.460 0.028 0.000 1.408 55 W HN 0.549 nan 8.180 nan 0.000 0.492 56 D N 4.348 124.143 120.400 -1.008 0.000 2.575 56 D HA 0.068 4.711 4.640 0.004 0.000 0.236 56 D C -0.612 174.668 176.300 -1.699 0.000 1.075 56 D CA -0.348 53.021 54.000 -1.053 0.000 0.860 56 D CB 1.955 42.472 40.800 -0.472 0.000 1.475 56 D HN 0.507 nan 8.370 nan 0.000 0.474 57 D N -0.381 119.317 120.400 -1.170 0.000 2.472 57 D HA 0.125 4.767 4.640 0.004 0.000 0.237 57 D C 1.064 177.136 176.300 -0.380 0.000 1.141 57 D CA 0.188 53.800 54.000 -0.647 0.000 0.875 57 D CB 1.315 42.041 40.800 -0.123 0.000 1.192 57 D HN 0.691 nan 8.370 nan 0.000 0.450 58 G N 1.887 110.583 108.800 -0.173 0.000 2.199 58 G HA2 -0.246 3.717 3.960 0.004 0.000 0.254 58 G HA3 -0.246 3.717 3.960 0.004 0.000 0.254 58 G C -0.005 174.804 174.900 -0.153 0.000 0.982 58 G CA 0.205 45.230 45.100 -0.125 0.000 0.632 58 G HN 0.678 nan 8.290 nan 0.000 0.529 59 D N 1.403 121.664 120.400 -0.233 0.000 2.443 59 D HA 0.526 5.169 4.640 0.004 0.000 0.239 59 D C 1.026 177.296 176.300 -0.049 0.000 1.136 59 D CA 0.847 54.751 54.000 -0.159 0.000 0.879 59 D CB 1.030 41.733 40.800 -0.161 0.000 1.195 59 D HN 0.786 nan 8.370 nan 0.000 0.443 60 A N 2.171 124.915 122.820 -0.127 0.000 2.540 60 A HA 0.253 4.576 4.320 0.004 0.000 0.239 60 A C 0.271 177.728 177.584 -0.210 0.000 1.061 60 A CA -0.045 51.768 52.037 -0.373 0.000 0.758 60 A CB -0.402 18.223 19.000 -0.626 0.000 0.991 60 A HN 0.622 nan 8.150 nan 0.000 0.502 61 F N -0.402 119.613 119.950 0.108 0.000 2.619 61 F HA -0.273 4.257 4.527 0.004 0.000 0.425 61 F C 1.379 177.251 175.800 0.120 0.000 0.575 61 F CA 1.171 59.228 58.000 0.096 0.000 1.289 61 F CB -2.030 37.017 39.000 0.078 0.000 1.859 61 F HN 2.045 nan 8.300 nan 0.000 0.280 62 A N -0.566 122.425 122.820 0.285 0.000 2.745 62 A HA 0.223 4.546 4.320 0.004 0.000 0.296 62 A C 0.925 178.672 177.584 0.271 0.000 1.500 62 A CA 1.575 53.800 52.037 0.313 0.000 0.766 62 A CB -1.702 17.421 19.000 0.205 0.000 1.030 62 A HN 2.064 nan 8.150 nan 0.000 0.489 63 G N -1.897 107.111 108.800 0.347 0.000 2.733 63 G HA2 0.822 4.785 3.960 0.004 0.000 0.288 63 G HA3 0.822 4.785 3.960 0.004 0.000 0.288 63 G C -0.738 174.366 174.900 0.340 0.000 1.373 63 G CA 0.256 45.507 45.100 0.251 0.000 0.895 63 G HN 0.837 nan 8.290 nan 0.000 0.479 64 T N -0.323 114.365 114.554 0.223 0.000 2.886 64 T HA 0.770 5.123 4.350 0.004 0.000 0.292 64 T C -0.156 174.635 174.700 0.153 0.000 1.012 64 T CA 0.026 62.273 62.100 0.244 0.000 0.982 64 T CB 1.682 70.667 68.868 0.194 0.000 1.018 64 T HN 1.185 nan 8.240 nan 0.000 0.451 65 A N 1.642 124.568 122.820 0.176 0.000 2.524 65 A HA 0.997 5.320 4.320 0.004 0.000 0.286 65 A C 0.167 177.828 177.584 0.129 0.000 1.203 65 A CA -0.693 51.408 52.037 0.107 0.000 0.736 65 A CB 1.092 20.118 19.000 0.043 0.000 1.322 65 A HN 1.003 nan 8.150 nan 0.000 0.424 66 G N 0.072 108.926 108.800 0.090 0.000 2.477 66 G HA2 0.465 4.427 3.960 0.004 0.000 0.304 66 G HA3 0.465 4.427 3.960 0.004 0.000 0.304 66 G C -0.065 174.896 174.900 0.101 0.000 1.175 66 G CA -0.183 44.968 45.100 0.085 0.000 0.907 66 G HN 0.998 nan 8.290 nan 0.000 0.509 67 N N -0.430 118.315 118.700 0.075 0.000 2.531 67 N HA 0.587 5.329 4.740 0.004 0.000 0.301 67 N C 0.019 175.544 175.510 0.025 0.000 1.310 67 N CA -0.177 52.896 53.050 0.039 0.000 0.949 67 N CB 0.346 38.815 38.487 -0.031 0.000 1.111 67 N HN 0.621 nan 8.380 nan 0.000 0.565 68 A N -1.117 121.694 122.820 -0.015 0.000 2.304 68 A HA 0.685 5.007 4.320 0.004 0.000 0.301 68 A C 0.256 177.853 177.584 0.022 0.000 1.132 68 A CA -0.433 51.613 52.037 0.015 0.000 0.819 68 A CB -0.165 18.840 19.000 0.009 0.000 1.094 68 A HN 0.922 nan 8.150 nan 0.000 0.492 69 A N 0.901 123.732 122.820 0.020 0.000 2.366 69 A HA 0.529 4.852 4.320 0.004 0.000 0.249 69 A C 0.219 177.724 177.584 -0.132 0.000 1.084 69 A CA -0.082 51.884 52.037 -0.118 0.000 0.794 69 A CB 0.249 19.070 19.000 -0.298 0.000 1.034 69 A HN 0.918 nan 8.150 nan 0.000 0.491 70 Q N 0.251 119.908 119.800 -0.238 0.000 2.356 70 Q HA 0.645 4.988 4.340 0.004 0.000 0.270 70 Q C -2.017 173.814 176.000 -0.283 0.000 1.058 70 Q CA -0.420 55.367 55.803 -0.025 0.000 0.802 70 Q CB 1.150 30.043 28.738 0.259 0.000 1.303 70 Q HN 0.597 nan 8.270 nan 0.000 0.444 71 F N 2.271 122.393 119.950 0.288 0.000 2.561 71 F HA 0.740 5.269 4.527 0.004 0.000 0.321 71 F C -0.673 175.335 175.800 0.347 0.000 1.065 71 F CA -0.584 57.533 58.000 0.196 0.000 0.934 71 F CB 1.257 40.325 39.000 0.112 0.000 1.215 71 F HN 0.640 nan 8.300 nan 0.000 0.471 72 W N -0.319 121.153 121.300 0.287 0.000 3.137 72 W HA 0.814 5.477 4.660 0.005 0.000 0.324 72 W C -2.189 174.401 176.519 0.118 0.000 1.253 72 W CA -1.143 56.309 57.345 0.178 0.000 1.183 72 W CB 1.285 30.812 29.460 0.112 0.000 1.424 72 W HN 0.410 nan 8.180 nan 0.000 0.566 73 T N 2.442 117.142 114.554 0.244 0.000 2.879 73 T HA 0.599 4.952 4.350 0.004 0.000 0.290 73 T C -1.081 173.684 174.700 0.107 0.000 0.993 73 T CA -0.638 61.419 62.100 -0.071 0.000 0.975 73 T CB 1.502 70.256 68.868 -0.190 0.000 0.981 73 T HN 0.450 nan 8.240 nan 0.000 0.439 74 S N 2.345 118.094 115.700 0.083 0.000 2.500 74 S HA 0.749 5.222 4.470 0.004 0.000 0.301 74 S C -1.679 173.011 174.600 0.150 0.000 1.092 74 S CA -0.721 57.569 58.200 0.150 0.000 1.030 74 S CB 1.244 64.568 63.200 0.206 0.000 1.031 74 S HN 0.687 nan 8.310 nan 0.000 0.483 75 Y N 2.360 122.661 120.300 0.001 0.000 2.348 75 Y HA 0.336 4.889 4.550 0.005 0.000 0.321 75 Y C -0.430 175.483 175.900 0.022 0.000 1.163 75 Y CA -0.830 57.267 58.100 -0.004 0.000 1.070 75 Y CB 0.645 39.087 38.460 -0.030 0.000 1.250 75 Y HN 0.772 nan 8.280 nan 0.000 0.425 76 N N 4.218 122.628 118.700 -0.485 0.000 2.725 76 N HA -0.160 4.583 4.740 0.004 0.000 0.251 76 N C 0.903 176.359 175.510 -0.090 0.000 1.031 76 N CA 2.302 55.106 53.050 -0.410 0.000 0.720 76 N CB -0.975 37.101 38.487 -0.686 0.000 0.930 76 N HN 1.559 nan 8.380 nan 0.000 0.543 77 G N -3.210 105.589 108.800 -0.001 0.000 2.267 77 G HA2 -0.323 3.640 3.960 0.004 0.000 0.257 77 G HA3 -0.323 3.640 3.960 0.004 0.000 0.257 77 G C 0.145 175.175 174.900 0.217 0.000 0.998 77 G CA 0.333 45.498 45.100 0.109 0.000 0.620 77 G HN 0.586 nan 8.290 nan 0.000 0.529 78 V N 1.494 121.495 119.914 0.146 0.000 2.481 78 V HA 0.697 4.819 4.120 0.004 0.000 0.286 78 V C 0.351 176.508 176.094 0.106 0.000 1.042 78 V CA 0.205 62.576 62.300 0.119 0.000 0.928 78 V CB 1.711 33.523 31.823 -0.019 0.000 0.986 78 V HN 0.288 nan 8.190 nan 0.000 0.462 79 T N 3.912 118.528 114.554 0.103 0.000 2.848 79 T HA 0.574 4.927 4.350 0.004 0.000 0.285 79 T C -0.632 174.146 174.700 0.131 0.000 0.995 79 T CA -0.383 61.785 62.100 0.115 0.000 0.970 79 T CB 1.701 70.605 68.868 0.059 0.000 0.976 79 T HN 0.342 nan 8.240 nan 0.000 0.441 80 V N 3.664 123.677 119.914 0.165 0.000 2.448 80 V HA 0.699 4.822 4.120 0.004 0.000 0.295 80 V C 0.061 176.306 176.094 0.252 0.000 1.025 80 V CA -0.767 61.638 62.300 0.175 0.000 0.859 80 V CB 1.682 33.590 31.823 0.141 0.000 0.988 80 V HN 1.062 nan 8.190 nan 0.000 0.431 81 S N 3.962 119.816 115.700 0.257 0.000 2.566 81 S HA 0.936 5.409 4.470 0.004 0.000 0.298 81 S C -0.953 173.826 174.600 0.297 0.000 1.083 81 S CA -0.760 57.635 58.200 0.325 0.000 0.978 81 S CB 2.198 65.579 63.200 0.302 0.000 1.073 81 S HN 0.455 nan 8.310 nan 0.000 0.491 82 V N 1.088 121.216 119.914 0.355 0.000 2.888 82 V HA 0.868 4.991 4.120 0.004 0.000 0.309 82 V C 0.844 177.185 176.094 0.411 0.000 1.114 82 V CA 0.247 62.747 62.300 0.333 0.000 0.940 82 V CB 1.035 33.038 31.823 0.300 0.000 1.021 82 V HN 1.652 nan 8.190 nan 0.000 0.426 83 G N 3.882 112.876 108.800 0.325 0.000 3.035 83 G HA2 -0.204 3.758 3.960 0.004 0.000 0.242 83 G HA3 -0.204 3.758 3.960 0.004 0.000 0.242 83 G C -0.044 175.034 174.900 0.298 0.000 1.524 83 G CA 0.279 45.577 45.100 0.329 0.000 1.038 83 G HN 0.957 nan 8.290 nan 0.000 0.561 84 N N 1.734 120.610 118.700 0.293 0.000 2.868 84 N HA 0.453 5.196 4.740 0.004 0.000 0.252 84 N C 0.492 176.248 175.510 0.410 0.000 1.130 84 N CA 0.453 53.682 53.050 0.299 0.000 1.026 84 N CB 0.194 38.764 38.487 0.138 0.000 1.335 84 N HN 1.237 nan 8.380 nan 0.000 0.516 85 V N -0.284 119.852 119.914 0.372 0.000 2.997 85 V HA 0.499 4.622 4.120 0.004 0.000 0.311 85 V C 0.358 176.665 176.094 0.355 0.000 1.066 85 V CA -0.899 61.601 62.300 0.333 0.000 1.039 85 V CB 1.143 33.118 31.823 0.255 0.000 1.081 85 V HN 0.292 nan 8.190 nan 0.000 0.467 86 D N 2.375 122.925 120.400 0.251 0.000 2.351 86 D HA 0.351 4.993 4.640 0.004 0.000 0.251 86 D C 0.482 176.913 176.300 0.219 0.000 1.137 86 D CA 0.343 54.473 54.000 0.216 0.000 0.879 86 D CB 1.685 42.546 40.800 0.102 0.000 1.181 86 D HN 0.998 nan 8.370 nan 0.000 0.448 87 T N -1.692 113.005 114.554 0.238 0.000 2.927 87 T HA 0.520 4.872 4.350 0.004 0.000 0.281 87 T C 1.252 176.040 174.700 0.147 0.000 0.998 87 T CA -0.701 61.528 62.100 0.215 0.000 1.019 87 T CB 1.819 70.854 68.868 0.279 0.000 1.061 87 T HN 0.234 nan 8.240 nan 0.000 0.518 88 A N 0.746 123.635 122.820 0.114 0.000 1.902 88 A HA 0.051 4.373 4.320 0.004 0.000 0.217 88 A C 1.850 179.407 177.584 -0.046 0.000 1.181 88 A CA 1.120 53.178 52.037 0.035 0.000 0.623 88 A CB -1.181 17.861 19.000 0.070 0.000 0.818 88 A HN 0.848 nan 8.150 nan 0.000 0.443 89 F N 0.424 120.281 119.950 -0.156 0.000 2.325 89 F HA -0.072 4.458 4.527 0.005 0.000 0.299 89 F C 1.753 177.368 175.800 -0.308 0.000 1.090 89 F CA 1.703 59.516 58.000 -0.311 0.000 1.392 89 F CB -0.029 38.650 39.000 -0.536 0.000 1.053 89 F HN 0.344 nan 8.300 nan 0.000 0.521 90 D N -1.364 119.099 120.400 0.105 0.000 2.249 90 D HA -0.055 4.587 4.640 0.004 0.000 0.205 90 D C 1.923 178.351 176.300 0.213 0.000 0.962 90 D CA 1.052 55.255 54.000 0.338 0.000 0.860 90 D CB 0.173 41.267 40.800 0.489 0.000 0.955 90 D HN 0.116 nan 8.370 nan 0.000 0.505 91 S N -0.743 114.925 115.700 -0.053 0.000 2.503 91 S HA 0.101 4.573 4.470 0.004 0.000 0.215 91 S C 0.727 175.033 174.600 -0.490 0.000 1.003 91 S CA -0.353 57.733 58.200 -0.189 0.000 0.910 91 S CB 0.639 63.709 63.200 -0.218 0.000 0.790 91 S HN 0.161 nan 8.310 nan 0.000 0.514 92 V N 2.574 122.097 119.914 -0.652 0.000 3.061 92 V HA 0.362 4.484 4.120 0.004 0.000 0.306 92 V C 0.595 176.583 176.094 -0.176 0.000 1.118 92 V CA -0.257 61.744 62.300 -0.499 0.000 1.231 92 V CB 0.499 32.170 31.823 -0.254 0.000 0.956 92 V HN 0.442 nan 8.190 nan 0.000 0.499 93 A N 5.121 127.948 122.820 0.011 0.000 2.327 93 A HA 0.552 4.875 4.320 0.004 0.000 0.255 93 A C 1.057 178.683 177.584 0.071 0.000 1.099 93 A CA 0.380 52.452 52.037 0.058 0.000 0.801 93 A CB 0.081 19.143 19.000 0.103 0.000 1.062 93 A HN 1.515 nan 8.150 nan 0.000 0.496 94 L N -1.379 119.883 121.223 0.065 0.000 3.898 94 L HA -0.301 4.042 4.340 0.004 0.000 0.382 94 L C 2.023 178.850 176.870 -0.071 0.000 0.711 94 L CA 1.680 56.584 54.840 0.107 0.000 2.828 94 L CB -1.921 40.312 42.059 0.289 0.000 0.852 94 L HN 0.872 nan 8.230 nan 0.000 0.694 95 T N -1.334 112.976 114.554 -0.407 0.000 2.849 95 T HA -0.167 4.185 4.350 0.004 0.000 0.270 95 T C 0.926 175.143 174.700 -0.804 0.000 1.066 95 T CA 2.249 63.754 62.100 -0.993 0.000 1.130 95 T CB -0.261 67.547 68.868 -1.766 0.000 0.864 95 T HN 0.517 nan 8.240 nan 0.000 0.481 96 W N 0.517 121.668 121.300 -0.248 0.000 3.239 96 W HA 0.333 4.995 4.660 0.004 0.000 0.348 96 W C 1.015 177.380 176.519 -0.257 0.000 1.183 96 W CA -0.851 56.362 57.345 -0.220 0.000 1.819 96 W CB 0.405 29.770 29.460 -0.158 0.000 1.091 96 W HN 0.095 nan 8.180 nan 0.000 0.629 97 D N -0.147 120.142 120.400 -0.185 0.000 2.378 97 D HA -0.110 4.533 4.640 0.004 0.000 0.227 97 D C 2.076 178.027 176.300 -0.582 0.000 1.012 97 D CA 1.167 54.980 54.000 -0.312 0.000 0.905 97 D CB -0.203 40.452 40.800 -0.242 0.000 0.895 97 D HN 0.129 nan 8.370 nan 0.000 0.532 98 S N -0.816 114.533 115.700 -0.585 0.000 2.548 98 S HA 0.031 4.503 4.470 0.004 0.000 0.215 98 S C 0.745 175.237 174.600 -0.179 0.000 0.976 98 S CA -0.378 57.576 58.200 -0.410 0.000 0.908 98 S CB 0.110 63.084 63.200 -0.377 0.000 0.781 98 S HN 0.098 nan 8.310 nan 0.000 0.519 99 E N 1.561 121.679 120.200 -0.137 0.000 2.437 99 E HA 0.353 4.706 4.350 0.004 0.000 0.263 99 E C 0.058 176.651 176.600 -0.011 0.000 1.030 99 E CA 0.401 56.754 56.400 -0.079 0.000 0.934 99 E CB 0.386 30.053 29.700 -0.056 0.000 0.943 99 E HN 0.671 nan 8.360 nan 0.000 0.444 100 M N -0.772 118.835 119.600 0.012 0.000 2.813 100 M HA 0.689 5.172 4.480 0.004 0.000 0.270 100 M C -0.146 176.171 176.300 0.028 0.000 1.267 100 M CA -0.485 54.849 55.300 0.056 0.000 0.822 100 M CB 1.705 34.390 32.600 0.143 0.000 1.671 100 M HN 0.605 nan 8.290 nan 0.000 0.468 101 G N 0.435 109.270 108.800 0.059 0.000 2.795 101 G HA2 -0.272 3.691 3.960 0.004 0.000 0.664 101 G HA3 -0.272 3.691 3.960 0.004 0.000 0.664 101 G C -0.585 174.351 174.900 0.059 0.000 1.381 101 G CA 0.369 45.513 45.100 0.074 0.000 0.853 101 G HN 1.887 nan 8.290 nan 0.000 0.545 102 Y N -1.135 119.149 120.300 -0.027 0.000 2.571 102 Y HA 0.383 4.935 4.550 0.004 0.000 0.294 102 Y C 1.804 177.661 175.900 -0.071 0.000 1.141 102 Y CA 1.682 59.747 58.100 -0.058 0.000 1.308 102 Y CB 0.213 38.638 38.460 -0.058 0.000 1.002 102 Y HN 0.533 nan 8.280 nan 0.000 0.551 103 E N 1.000 120.887 120.200 -0.520 0.000 2.501 103 E HA 0.350 4.703 4.350 0.004 0.000 0.200 103 E C 0.574 177.017 176.600 -0.262 0.000 1.016 103 E CA 0.178 56.287 56.400 -0.485 0.000 0.921 103 E CB 0.336 29.698 29.700 -0.564 0.000 1.034 103 E HN 0.455 nan 8.360 nan 0.000 0.468 104 A N 1.984 124.689 122.820 -0.191 0.000 2.362 104 A HA -0.185 4.138 4.320 0.004 0.000 0.290 104 A C 0.384 177.880 177.584 -0.148 0.000 1.441 104 A CA 0.869 52.819 52.037 -0.145 0.000 0.743 104 A CB -2.097 16.805 19.000 -0.163 0.000 1.125 104 A HN 0.345 nan 8.150 nan 0.000 0.378 105 S N -0.931 114.681 115.700 -0.147 0.000 2.638 105 S HA 0.938 5.411 4.470 0.004 0.000 0.302 105 S C -0.236 174.247 174.600 -0.194 0.000 1.096 105 S CA 0.035 58.124 58.200 -0.185 0.000 0.953 105 S CB 2.146 65.201 63.200 -0.241 0.000 1.107 105 S HN 2.118 nan 8.310 nan 0.000 0.503 106 S N -0.211 115.316 115.700 -0.288 0.000 2.570 106 S HA 0.458 4.930 4.470 0.004 0.000 0.286 106 S C -0.696 173.667 174.600 -0.395 0.000 1.143 106 S CA -0.701 57.260 58.200 -0.398 0.000 0.921 106 S CB 0.209 63.091 63.200 -0.530 0.000 1.108 106 S HN 0.545 nan 8.310 nan 0.000 0.456 107 F N 2.871 122.738 119.950 -0.137 0.000 2.451 107 F HA 0.181 4.710 4.527 0.004 0.000 0.299 107 F C 2.420 178.193 175.800 -0.044 0.000 1.101 107 F CA 1.276 59.216 58.000 -0.099 0.000 1.436 107 F CB -0.269 38.556 39.000 -0.292 0.000 1.074 107 F HN 0.759 nan 8.300 nan 0.000 0.553 108 G N -1.175 107.530 108.800 -0.159 0.000 2.848 108 G HA2 -0.091 3.871 3.960 0.004 0.000 0.208 108 G HA3 -0.091 3.871 3.960 0.004 0.000 0.208 108 G C 0.379 175.252 174.900 -0.045 0.000 1.152 108 G CA -0.031 45.034 45.100 -0.058 0.000 0.789 108 G HN 0.097 nan 8.290 nan 0.000 0.531 109 D N 0.620 120.961 120.400 -0.098 0.000 2.360 109 D HA 0.429 5.071 4.640 0.004 0.000 0.242 109 D C 0.797 176.933 176.300 -0.272 0.000 1.184 109 D CA -0.050 53.870 54.000 -0.133 0.000 0.930 109 D CB 1.123 41.974 40.800 0.084 0.000 1.161 109 D HN 0.183 nan 8.370 nan 0.000 0.447 110 A N 1.468 123.893 122.820 -0.660 0.000 2.565 110 A HA -0.029 4.293 4.320 0.004 0.000 0.237 110 A C 0.681 178.113 177.584 -0.253 0.000 1.053 110 A CA 0.121 51.653 52.037 -0.842 0.000 0.755 110 A CB 0.147 18.603 19.000 -0.906 0.000 0.980 110 A HN 0.363 nan 8.150 nan 0.000 0.506 111 Q N 1.345 121.022 119.800 -0.205 0.000 2.217 111 Q HA 0.112 4.454 4.340 0.004 0.000 0.226 111 Q C 0.276 176.228 176.000 -0.079 0.000 0.875 111 Q CA 0.332 56.084 55.803 -0.084 0.000 0.974 111 Q CB -0.277 28.404 28.738 -0.096 0.000 1.079 111 Q HN 0.848 nan 8.270 nan 0.000 0.463 112 S N -1.171 114.507 115.700 -0.037 0.000 2.745 112 S HA 0.635 5.107 4.470 0.004 0.000 0.292 112 S C 0.158 174.740 174.600 -0.030 0.000 1.133 112 S CA -0.706 57.477 58.200 -0.028 0.000 0.998 112 S CB 1.876 65.050 63.200 -0.043 0.000 1.087 112 S HN -0.023 nan 8.310 nan 0.000 0.551 113 S N 1.215 116.853 115.700 -0.104 0.000 2.451 113 S HA 0.820 5.292 4.470 0.004 0.000 0.301 113 S C -0.979 173.493 174.600 -0.214 0.000 1.116 113 S CA -0.681 57.366 58.200 -0.255 0.000 1.093 113 S CB -0.122 62.938 63.200 -0.233 0.000 1.017 113 S HN 0.643 nan 8.310 nan 0.000 0.482 114 F N -0.018 119.772 119.950 -0.267 0.000 2.693 114 F HA 0.687 5.216 4.527 0.004 0.000 0.309 114 F C -1.412 174.287 175.800 -0.169 0.000 1.129 114 F CA -1.723 56.081 58.000 -0.325 0.000 0.948 114 F CB 0.334 39.139 39.000 -0.324 0.000 1.315 114 F HN 0.262 nan 8.300 nan 0.000 0.447 115 F N 1.905 121.954 119.950 0.164 0.000 2.450 115 F HA 0.710 5.240 4.527 0.004 0.000 0.339 115 F C 0.651 176.598 175.800 0.245 0.000 1.146 115 F CA -0.142 57.943 58.000 0.141 0.000 1.267 115 F CB 0.988 40.097 39.000 0.182 0.000 1.178 115 F HN 0.919 nan 8.300 nan 0.000 0.585 116 A N 1.482 124.527 122.820 0.375 0.000 2.610 116 A HA 0.464 4.786 4.320 0.004 0.000 0.291 116 A C -1.725 175.975 177.584 0.194 0.000 1.086 116 A CA -0.832 51.385 52.037 0.299 0.000 0.677 116 A CB 0.118 19.246 19.000 0.214 0.000 1.278 116 A HN 0.547 nan 8.150 nan 0.000 0.414 117 Y N 2.095 122.466 120.300 0.119 0.000 2.895 117 Y HA 0.008 4.560 4.550 0.004 0.000 0.334 117 Y C 0.092 175.971 175.900 -0.034 0.000 1.261 117 Y CA 0.520 58.681 58.100 0.102 0.000 1.560 117 Y CB 0.253 38.828 38.460 0.191 0.000 1.253 117 Y HN 0.543 nan 8.280 nan 0.000 0.582 118 N N 7.293 125.641 118.700 -0.587 0.000 2.414 118 N HA -0.045 4.697 4.740 0.004 0.000 0.256 118 N C 0.209 175.404 175.510 -0.524 0.000 1.029 118 N CA -0.231 52.478 53.050 -0.568 0.000 0.948 118 N CB 0.471 38.642 38.487 -0.526 0.000 1.102 118 N HN 0.779 nan 8.380 nan 0.000 0.496 119 W N 1.803 122.857 121.300 -0.410 0.000 2.519 119 W HA 0.107 4.769 4.660 0.004 0.000 0.266 119 W C 0.702 177.092 176.519 -0.215 0.000 1.253 119 W CA 0.155 57.330 57.345 -0.283 0.000 1.274 119 W CB -0.153 29.218 29.460 -0.148 0.000 1.114 119 W HN 0.268 nan 8.180 nan 0.000 0.596 120 K N -1.531 118.855 120.400 -0.024 0.000 2.469 120 K HA 0.256 4.579 4.320 0.004 0.000 0.268 120 K C -0.654 175.880 176.600 -0.110 0.000 1.027 120 K CA -1.089 55.169 56.287 -0.048 0.000 0.893 120 K CB 1.866 34.277 32.500 -0.149 0.000 1.460 120 K HN -0.267 nan 8.250 nan 0.000 0.449 121 Y N -0.650 119.628 120.300 -0.037 0.000 2.335 121 Y HA 0.250 4.802 4.550 0.004 0.000 0.348 121 Y C -0.153 175.712 175.900 -0.060 0.000 1.280 121 Y CA -0.295 57.778 58.100 -0.044 0.000 1.504 121 Y CB 0.407 38.865 38.460 -0.003 0.000 1.366 121 Y HN 0.343 nan 8.280 nan 0.000 0.621 122 D N 0.799 121.196 120.400 -0.006 0.000 2.469 122 D HA 0.351 4.994 4.640 0.004 0.000 0.251 122 D C 0.231 176.598 176.300 0.112 0.000 1.173 122 D CA -0.277 53.664 54.000 -0.099 0.000 0.882 122 D CB 1.661 42.387 40.800 -0.124 0.000 1.129 122 D HN 0.850 nan 8.370 nan 0.000 0.549 123 A N 2.677 125.601 122.820 0.173 0.000 2.121 123 A HA -0.115 4.207 4.320 0.004 0.000 0.218 123 A C 1.973 179.626 177.584 0.115 0.000 1.154 123 A CA 1.611 53.799 52.037 0.251 0.000 0.679 123 A CB -0.314 18.879 19.000 0.321 0.000 0.795 123 A HN 0.573 nan 8.150 nan 0.000 0.458 124 S N -1.698 114.033 115.700 0.052 0.000 2.447 124 S HA 0.258 4.731 4.470 0.004 0.000 0.233 124 S C 1.639 176.256 174.600 0.029 0.000 1.006 124 S CA 1.350 59.567 58.200 0.028 0.000 0.957 124 S CB -0.477 62.722 63.200 -0.001 0.000 0.773 124 S HN 1.885 nan 8.310 nan 0.000 0.507 125 G N 0.522 109.342 108.800 0.033 0.000 2.175 125 G HA2 -0.218 3.744 3.960 0.004 0.000 0.244 125 G HA3 -0.218 3.744 3.960 0.004 0.000 0.244 125 G C 1.016 175.926 174.900 0.017 0.000 0.982 125 G CA 0.312 45.429 45.100 0.028 0.000 0.641 125 G HN 1.255 nan 8.290 nan 0.000 0.527 126 A N -0.113 122.709 122.820 0.004 0.000 1.972 126 A HA 0.351 4.673 4.320 0.004 0.000 0.219 126 A C 2.134 179.717 177.584 -0.002 0.000 1.169 126 A CA 1.726 53.766 52.037 0.005 0.000 0.635 126 A CB -0.239 18.761 19.000 -0.001 0.000 0.810 126 A HN 0.897 nan 8.150 nan 0.000 0.446 127 L N -0.568 120.627 121.223 -0.046 0.000 2.628 127 L HA 0.067 4.410 4.340 0.004 0.000 0.229 127 L C 0.852 177.721 176.870 -0.002 0.000 1.137 127 L CA -0.145 54.643 54.840 -0.086 0.000 0.909 127 L CB -0.143 41.761 42.059 -0.260 0.000 1.137 127 L HN 0.153 nan 8.230 nan 0.000 0.470 128 D N 0.773 121.187 120.400 0.023 0.000 2.182 128 D HA -0.147 4.496 4.640 0.004 0.000 0.201 128 D C 1.233 177.569 176.300 0.060 0.000 0.986 128 D CA 1.269 55.292 54.000 0.039 0.000 0.847 128 D CB 0.043 40.864 40.800 0.035 0.000 0.942 128 D HN 0.241 nan 8.370 nan 0.000 0.467 129 N N -0.563 118.180 118.700 0.073 0.000 2.282 129 N HA -0.029 4.713 4.740 0.004 0.000 0.240 129 N C -0.560 175.006 175.510 0.094 0.000 1.182 129 N CA -0.312 52.782 53.050 0.074 0.000 0.874 129 N CB 0.662 39.178 38.487 0.050 0.000 1.126 129 N HN 0.183 nan 8.380 nan 0.000 0.516 130 Y N 2.113 122.379 120.300 -0.057 0.000 2.377 130 Y HA 0.295 4.847 4.550 0.004 0.000 0.330 130 Y C -0.376 175.479 175.900 -0.074 0.000 1.108 130 Y CA -0.298 57.732 58.100 -0.117 0.000 1.308 130 Y CB 0.313 38.662 38.460 -0.185 0.000 1.216 130 Y HN -0.010 nan 8.280 nan 0.000 0.518 131 N N 3.429 121.985 118.700 -0.239 0.000 2.369 131 N HA 0.599 5.341 4.740 0.004 0.000 0.287 131 N C -1.150 174.221 175.510 -0.232 0.000 1.067 131 N CA -0.273 52.727 53.050 -0.084 0.000 0.888 131 N CB 1.671 40.170 38.487 0.020 0.000 1.616 131 N HN 0.926 nan 8.380 nan 0.000 0.482 132 G N 1.434 110.185 108.800 -0.081 0.000 2.600 132 G HA2 0.767 4.730 3.960 0.004 0.000 0.303 132 G HA3 0.767 4.730 3.960 0.004 0.000 0.303 132 G C -1.112 173.875 174.900 0.147 0.000 1.253 132 G CA -0.539 44.531 45.100 -0.052 0.000 0.974 132 G HN 0.520 nan 8.290 nan 0.000 0.483 133 I N 0.422 121.129 120.570 0.229 0.000 2.499 133 I HA 0.624 4.797 4.170 0.004 0.000 0.288 133 I C 0.068 176.338 176.117 0.254 0.000 1.048 133 I CA -0.757 60.701 61.300 0.264 0.000 1.062 133 I CB 2.263 40.439 38.000 0.294 0.000 1.238 133 I HN 0.645 nan 8.210 nan 0.000 0.426 134 A N 5.554 128.510 122.820 0.226 0.000 2.454 134 A HA 0.943 5.265 4.320 0.004 0.000 0.302 134 A C -1.293 176.404 177.584 0.188 0.000 1.079 134 A CA -0.609 51.553 52.037 0.209 0.000 0.731 134 A CB 2.000 21.121 19.000 0.202 0.000 1.299 134 A HN 0.402 nan 8.150 nan 0.000 0.413 135 V N 1.599 121.618 119.914 0.175 0.000 2.569 135 V HA 0.669 4.792 4.120 0.004 0.000 0.301 135 V C -0.009 176.164 176.094 0.132 0.000 1.044 135 V CA -0.122 62.265 62.300 0.145 0.000 0.874 135 V CB 1.815 33.717 31.823 0.131 0.000 1.002 135 V HN 1.207 nan 8.190 nan 0.000 0.424 136 T N 1.265 115.881 114.554 0.103 0.000 2.912 136 T HA 0.803 5.155 4.350 0.004 0.000 0.288 136 T C -1.322 173.443 174.700 0.109 0.000 1.030 136 T CA -0.818 61.304 62.100 0.037 0.000 1.020 136 T CB 2.321 71.179 68.868 -0.017 0.000 1.056 136 T HN 0.642 nan 8.240 nan 0.000 0.480 137 Y N 0.878 121.090 120.300 -0.147 0.000 2.323 137 Y HA 0.517 5.070 4.550 0.005 0.000 0.322 137 Y C -1.322 174.495 175.900 -0.139 0.000 1.133 137 Y CA -1.233 56.804 58.100 -0.105 0.000 1.093 137 Y CB 1.786 40.214 38.460 -0.053 0.000 1.203 137 Y HN 0.874 nan 8.280 nan 0.000 0.427 138 S N 7.743 123.217 115.700 -0.377 0.000 2.438 138 S HA 0.578 5.051 4.470 0.004 0.000 0.316 138 S C -0.732 173.538 174.600 -0.550 0.000 1.084 138 S CA -0.633 57.330 58.200 -0.395 0.000 1.107 138 S CB 0.926 64.001 63.200 -0.209 0.000 0.981 138 S HN 0.610 nan 8.310 nan 0.000 0.466 139 I N 2.480 122.739 120.570 -0.519 0.000 2.466 139 I HA 0.386 4.558 4.170 0.004 0.000 0.279 139 I C -0.119 175.901 176.117 -0.162 0.000 1.033 139 I CA 0.010 61.071 61.300 -0.399 0.000 1.123 139 I CB 0.621 38.322 38.000 -0.498 0.000 1.237 139 I HN 0.681 nan 8.210 nan 0.000 0.460 140 S N 5.453 121.091 115.700 -0.104 0.000 3.484 140 S HA -0.158 4.314 4.470 0.004 0.000 0.384 140 S C 1.324 175.923 174.600 -0.003 0.000 0.932 140 S CA 1.403 59.582 58.200 -0.035 0.000 1.293 140 S CB -1.408 61.795 63.200 0.005 0.000 0.919 140 S HN 2.024 nan 8.310 nan 0.000 0.540 141 G N -0.997 107.770 108.800 -0.055 0.000 2.212 141 G HA2 -0.299 3.663 3.960 0.004 0.000 0.266 141 G HA3 -0.299 3.663 3.960 0.004 0.000 0.266 141 G C 0.204 175.079 174.900 -0.043 0.000 0.978 141 G CA 0.218 45.265 45.100 -0.088 0.000 0.632 141 G HN 1.398 nan 8.290 nan 0.000 0.537 142 V N 2.098 122.035 119.914 0.038 0.000 2.394 142 V HA 0.502 4.625 4.120 0.004 0.000 0.282 142 V C -0.241 175.813 176.094 -0.068 0.000 1.031 142 V CA -0.978 61.373 62.300 0.085 0.000 0.881 142 V CB 1.604 33.507 31.823 0.134 0.000 0.982 142 V HN 0.353 nan 8.190 nan 0.000 0.451 143 N N 4.889 123.553 118.700 -0.060 0.000 2.342 143 N HA 0.470 5.212 4.740 0.004 0.000 0.293 143 N C -1.403 173.948 175.510 -0.264 0.000 1.026 143 N CA -0.646 52.249 53.050 -0.259 0.000 0.857 143 N CB 2.585 40.882 38.487 -0.317 0.000 1.256 143 N HN 0.320 nan 8.380 nan 0.000 0.484 144 L N 2.889 123.929 121.223 -0.304 0.000 2.295 144 L HA 0.478 4.821 4.340 0.004 0.000 0.285 144 L C -0.915 175.786 176.870 -0.282 0.000 1.035 144 L CA -0.425 54.345 54.840 -0.115 0.000 0.806 144 L CB 0.227 42.320 42.059 0.055 0.000 1.214 144 L HN 0.468 nan 8.230 nan 0.000 0.426 145 Y N 4.097 124.454 120.300 0.095 0.000 2.406 145 Y HA 0.649 5.201 4.550 0.004 0.000 0.340 145 Y C -0.407 175.533 175.900 0.066 0.000 0.975 145 Y CA -0.866 57.285 58.100 0.084 0.000 1.056 145 Y CB 1.828 40.331 38.460 0.072 0.000 1.210 145 Y HN 0.316 nan 8.280 nan 0.000 0.448 146 L N 3.092 124.440 121.223 0.209 0.000 2.408 146 L HA 0.820 5.162 4.340 0.004 0.000 0.268 146 L C -0.704 176.236 176.870 0.116 0.000 0.986 146 L CA -0.348 54.556 54.840 0.108 0.000 0.820 146 L CB 2.412 44.566 42.059 0.159 0.000 1.303 146 L HN 0.770 nan 8.230 nan 0.000 0.411 147 S N 1.304 117.012 115.700 0.012 0.000 2.546 147 S HA 0.706 5.179 4.470 0.004 0.000 0.274 147 S C -1.511 173.206 174.600 0.195 0.000 1.121 147 S CA -0.774 57.503 58.200 0.129 0.000 0.887 147 S CB 1.879 65.158 63.200 0.132 0.000 1.094 147 S HN 0.481 nan 8.310 nan 0.000 0.474 148 Y N 1.481 121.875 120.300 0.158 0.000 2.346 148 Y HA 0.672 5.224 4.550 0.004 0.000 0.332 148 Y C -1.868 174.092 175.900 0.100 0.000 0.985 148 Y CA -0.840 57.388 58.100 0.213 0.000 1.112 148 Y CB 1.452 40.068 38.460 0.261 0.000 1.170 148 Y HN 0.711 nan 8.280 nan 0.000 0.447 149 V N 6.089 125.709 119.914 -0.490 0.000 2.487 149 V HA 0.305 4.428 4.120 0.004 0.000 0.298 149 V C -1.100 174.552 176.094 -0.738 0.000 1.028 149 V CA -0.748 61.202 62.300 -0.583 0.000 0.860 149 V CB 1.685 33.282 31.823 -0.377 0.000 0.991 149 V HN 0.750 nan 8.190 nan 0.000 0.427 150 D N 6.733 126.686 120.400 -0.745 0.000 2.349 150 D HA 0.415 5.058 4.640 0.004 0.000 0.232 150 D C -1.749 174.289 176.300 -0.436 0.000 1.071 150 D CA -2.168 51.552 54.000 -0.466 0.000 0.832 150 D CB 2.675 43.304 40.800 -0.285 0.000 1.086 150 D HN 0.173 nan 8.370 nan 0.000 0.504 151 P HA -0.011 nan 4.420 nan 0.000 0.220 151 P C -0.152 177.123 177.300 -0.042 0.000 1.148 151 P CA 0.918 63.921 63.100 -0.162 0.000 0.803 151 P CB 0.410 32.145 31.700 0.060 0.000 0.782 152 D N -0.810 119.569 120.400 -0.035 0.000 2.337 152 D HA 0.027 4.669 4.640 0.004 0.000 0.238 152 D C 0.761 177.063 176.300 0.003 0.000 1.331 152 D CA -0.200 53.803 54.000 0.006 0.000 0.967 152 D CB 0.597 41.413 40.800 0.027 0.000 1.382 152 D HN 0.002 nan 8.370 nan 0.000 0.549 153 Q N 0.976 120.777 119.800 0.001 0.000 2.488 153 Q HA -0.077 4.265 4.340 0.004 0.000 0.211 153 Q C 1.037 177.057 176.000 0.032 0.000 0.967 153 Q CA 1.468 57.283 55.803 0.020 0.000 0.926 153 Q CB -0.100 28.655 28.738 0.028 0.000 0.992 153 Q HN 0.321 nan 8.270 nan 0.000 0.506 154 T N -2.707 111.865 114.554 0.030 0.000 3.014 154 T HA 0.157 4.509 4.350 0.004 0.000 0.263 154 T C 0.770 175.487 174.700 0.027 0.000 1.078 154 T CA 0.010 62.128 62.100 0.029 0.000 1.135 154 T CB -0.011 68.874 68.868 0.027 0.000 0.895 154 T HN 0.070 nan 8.240 nan 0.000 0.480 155 V N 2.766 122.696 119.914 0.028 0.000 2.686 155 V HA 0.233 4.356 4.120 0.004 0.000 0.295 155 V C 0.499 176.611 176.094 0.029 0.000 1.057 155 V CA -1.197 61.119 62.300 0.027 0.000 1.012 155 V CB 1.395 33.233 31.823 0.026 0.000 1.006 155 V HN 0.480 nan 8.190 nan 0.000 0.477 156 D N 2.477 122.894 120.400 0.027 0.000 2.583 156 D HA -0.073 4.569 4.640 0.004 0.000 0.232 156 D C 1.149 177.470 176.300 0.034 0.000 1.128 156 D CA 0.409 54.426 54.000 0.028 0.000 0.859 156 D CB 1.031 41.845 40.800 0.023 0.000 1.169 156 D HN 0.611 nan 8.370 nan 0.000 0.481 157 S N 1.879 117.604 115.700 0.041 0.000 2.469 157 S HA -0.162 4.311 4.470 0.004 0.000 0.238 157 S C 1.891 176.520 174.600 0.048 0.000 0.998 157 S CA 1.057 59.289 58.200 0.053 0.000 0.957 157 S CB -0.024 63.217 63.200 0.068 0.000 0.764 157 S HN 0.642 nan 8.310 nan 0.000 0.514 158 S N 1.078 116.801 115.700 0.037 0.000 2.527 158 S HA 0.189 4.662 4.470 0.004 0.000 0.222 158 S C 1.355 175.973 174.600 0.030 0.000 0.985 158 S CA 0.189 58.408 58.200 0.032 0.000 0.921 158 S CB -0.402 62.813 63.200 0.025 0.000 0.772 158 S HN 0.459 nan 8.310 nan 0.000 0.529 159 L N 1.715 122.956 121.223 0.031 0.000 2.567 159 L HA 0.347 4.689 4.340 0.004 0.000 0.225 159 L C 0.400 177.289 176.870 0.032 0.000 1.119 159 L CA -0.260 54.596 54.840 0.028 0.000 0.871 159 L CB 0.389 42.463 42.059 0.025 0.000 1.036 159 L HN 0.361 nan 8.230 nan 0.000 0.459 160 V N -4.668 115.269 119.914 0.038 0.000 2.769 160 V HA 0.551 4.673 4.120 0.004 0.000 0.312 160 V C -0.143 175.980 176.094 0.048 0.000 1.061 160 V CA -0.447 61.877 62.300 0.041 0.000 0.931 160 V CB 1.705 33.551 31.823 0.038 0.000 1.010 160 V HN -0.086 nan 8.190 nan 0.000 0.433 161 T N 3.608 118.193 114.554 0.052 0.000 2.733 161 T HA 0.515 4.868 4.350 0.004 0.000 0.294 161 T C -0.354 174.388 174.700 0.070 0.000 0.956 161 T CA -0.034 62.100 62.100 0.057 0.000 0.987 161 T CB 0.632 69.526 68.868 0.042 0.000 0.920 161 T HN 0.911 nan 8.240 nan 0.000 0.470 162 E N 1.970 122.215 120.200 0.075 0.000 2.242 162 E HA 0.343 4.696 4.350 0.004 0.000 0.275 162 E C -0.093 176.564 176.600 0.095 0.000 1.002 162 E CA -0.695 55.730 56.400 0.042 0.000 0.841 162 E CB 1.314 31.047 29.700 0.055 0.000 1.109 162 E HN 0.554 nan 8.360 nan 0.000 0.394 163 E N 2.458 122.709 120.200 0.085 0.000 2.197 163 E HA 0.283 4.635 4.350 0.004 0.000 0.281 163 E C -1.458 175.279 176.600 0.229 0.000 0.995 163 E CA -0.571 55.913 56.400 0.140 0.000 0.808 163 E CB 0.678 30.494 29.700 0.193 0.000 1.093 163 E HN 0.364 nan 8.360 nan 0.000 0.394 164 F N 3.251 123.259 119.950 0.097 0.000 2.493 164 F HA 0.657 5.186 4.527 0.004 0.000 0.329 164 F C -0.417 175.452 175.800 0.116 0.000 1.126 164 F CA -0.345 57.752 58.000 0.162 0.000 0.937 164 F CB 1.809 40.926 39.000 0.195 0.000 1.146 164 F HN 0.456 nan 8.300 nan 0.000 0.442 165 G N 5.937 114.315 108.800 -0.702 0.000 2.563 165 G HA2 0.679 4.641 3.960 0.004 0.000 0.302 165 G HA3 0.679 4.641 3.960 0.004 0.000 0.302 165 G C -2.203 172.375 174.900 -0.538 0.000 1.301 165 G CA -0.837 44.012 45.100 -0.419 0.000 0.965 165 G HN 0.877 nan 8.290 nan 0.000 0.480 166 I N 0.080 120.555 120.570 -0.160 0.000 2.802 166 I HA 0.815 4.988 4.170 0.004 0.000 0.298 166 I C -0.720 175.482 176.117 0.141 0.000 1.176 166 I CA -0.885 60.414 61.300 -0.002 0.000 1.025 166 I CB 2.210 40.256 38.000 0.077 0.000 1.243 166 I HN 0.916 nan 8.210 nan 0.000 0.424 167 A N 4.872 127.815 122.820 0.205 0.000 2.612 167 A HA 0.976 5.298 4.320 0.004 0.000 0.293 167 A C -1.830 175.964 177.584 0.350 0.000 1.075 167 A CA -0.107 52.073 52.037 0.238 0.000 0.680 167 A CB 1.684 20.758 19.000 0.123 0.000 1.279 167 A HN 1.284 nan 8.150 nan 0.000 0.411 168 A N 0.849 123.840 122.820 0.284 0.000 2.574 168 A HA 0.839 5.162 4.320 0.004 0.000 0.297 168 A C -1.491 176.245 177.584 0.253 0.000 1.062 168 A CA 0.074 52.278 52.037 0.279 0.000 0.686 168 A CB 1.476 20.576 19.000 0.167 0.000 1.285 168 A HN 1.517 nan 8.150 nan 0.000 0.403 169 D N -0.888 119.680 120.400 0.279 0.000 2.581 169 D HA 0.680 5.322 4.640 0.004 0.000 0.232 169 D C -0.933 175.524 176.300 0.262 0.000 1.143 169 D CA -0.321 53.824 54.000 0.242 0.000 0.881 169 D CB 1.190 42.127 40.800 0.228 0.000 1.500 169 D HN 0.811 nan 8.370 nan 0.000 0.458 170 W N 0.904 122.229 121.300 0.042 0.000 3.372 170 W HA 0.613 5.275 4.660 0.003 0.000 0.315 170 W C -1.986 174.545 176.519 0.021 0.000 1.223 170 W CA -0.511 56.844 57.345 0.016 0.000 1.202 170 W CB 1.982 31.443 29.460 0.003 0.000 1.367 170 W HN 0.536 nan 8.180 nan 0.000 0.531 171 S N 3.992 118.940 115.700 -1.254 0.000 2.541 171 S HA 0.589 5.061 4.470 0.004 0.000 0.271 171 S C -0.831 172.986 174.600 -1.304 0.000 1.133 171 S CA -0.596 56.922 58.200 -1.137 0.000 0.876 171 S CB 0.812 63.732 63.200 -0.466 0.000 1.105 171 S HN 0.697 nan 8.310 nan 0.000 0.470 172 N N 2.117 120.236 118.700 -0.968 0.000 3.178 172 N HA 0.461 5.203 4.740 0.004 0.000 0.352 172 N C 0.031 175.381 175.510 -0.266 0.000 1.423 172 N CA -0.407 52.364 53.050 -0.464 0.000 0.698 172 N CB -0.562 37.793 38.487 -0.220 0.000 1.400 172 N HN 0.457 nan 8.380 nan 0.000 0.586 173 D N -0.852 119.461 120.400 -0.145 0.000 2.183 173 D HA 0.082 4.724 4.640 0.004 0.000 0.203 173 D C 1.363 177.595 176.300 -0.113 0.000 0.969 173 D CA 1.416 55.346 54.000 -0.117 0.000 0.842 173 D CB 0.056 40.809 40.800 -0.078 0.000 0.957 173 D HN 0.393 nan 8.370 nan 0.000 0.484 174 M N -0.462 119.093 119.600 -0.075 0.000 2.657 174 M HA 0.233 4.716 4.480 0.004 0.000 0.262 174 M C 0.241 176.555 176.300 0.024 0.000 1.213 174 M CA 0.426 55.694 55.300 -0.054 0.000 1.182 174 M CB 0.993 33.629 32.600 0.059 0.000 1.303 174 M HN -0.134 nan 8.290 nan 0.000 0.501 175 I N -0.001 120.606 120.570 0.063 0.000 2.603 175 I HA 0.309 4.481 4.170 0.004 0.000 0.300 175 I C -0.591 175.522 176.117 -0.007 0.000 1.017 175 I CA -0.516 60.869 61.300 0.143 0.000 1.098 175 I CB 2.268 40.427 38.000 0.264 0.000 1.279 175 I HN -0.082 nan 8.210 nan 0.000 0.437 176 S N 5.628 121.366 115.700 0.064 0.000 2.536 176 S HA 0.748 5.221 4.470 0.004 0.000 0.287 176 S C -0.805 173.889 174.600 0.156 0.000 1.101 176 S CA -0.687 57.536 58.200 0.038 0.000 0.950 176 S CB 1.912 65.122 63.200 0.017 0.000 1.056 176 S HN 0.333 nan 8.310 nan 0.000 0.481 177 L N 1.778 123.134 121.223 0.222 0.000 2.401 177 L HA 0.943 5.286 4.340 0.004 0.000 0.266 177 L C -0.427 176.519 176.870 0.127 0.000 0.991 177 L CA -0.683 54.261 54.840 0.173 0.000 0.818 177 L CB 1.994 44.188 42.059 0.225 0.000 1.321 177 L HN 0.816 nan 8.230 nan 0.000 0.413 178 A N 2.149 124.967 122.820 -0.004 0.000 2.572 178 A HA 0.990 5.312 4.320 0.004 0.000 0.295 178 A C -1.497 175.922 177.584 -0.276 0.000 1.072 178 A CA -0.264 51.760 52.037 -0.022 0.000 0.691 178 A CB 2.087 21.166 19.000 0.132 0.000 1.291 178 A HN 0.843 nan 8.150 nan 0.000 0.404 179 A N -0.054 122.686 122.820 -0.133 0.000 2.574 179 A HA 1.012 5.335 4.320 0.004 0.000 0.297 179 A C -0.570 177.059 177.584 0.075 0.000 1.062 179 A CA 0.081 52.019 52.037 -0.165 0.000 0.686 179 A CB 1.274 20.228 19.000 -0.077 0.000 1.285 179 A HN 2.668 nan 8.150 nan 0.000 0.403 180 A N 0.327 123.252 122.820 0.174 0.000 2.572 180 A HA 0.810 5.133 4.320 0.004 0.000 0.295 180 A C -1.837 176.007 177.584 0.433 0.000 1.072 180 A CA -0.410 51.788 52.037 0.268 0.000 0.691 180 A CB 1.302 20.391 19.000 0.148 0.000 1.291 180 A HN 1.978 nan 8.150 nan 0.000 0.404 181 Y N 0.326 120.773 120.300 0.245 0.000 2.441 181 Y HA 0.659 5.211 4.550 0.004 0.000 0.334 181 Y C -0.787 175.189 175.900 0.127 0.000 1.061 181 Y CA -0.170 58.053 58.100 0.204 0.000 1.032 181 Y CB 2.331 40.885 38.460 0.157 0.000 1.266 181 Y HN 0.685 nan 8.280 nan 0.000 0.441 182 T N 4.163 118.393 114.554 -0.539 0.000 2.928 182 T HA 0.427 4.780 4.350 0.004 0.000 0.296 182 T C -0.834 173.532 174.700 -0.556 0.000 1.000 182 T CA -0.789 61.050 62.100 -0.435 0.000 0.989 182 T CB 1.150 69.794 68.868 -0.374 0.000 1.005 182 T HN 0.655 nan 8.240 nan 0.000 0.442 183 T N 0.092 114.476 114.554 -0.283 0.000 2.867 183 T HA 0.514 4.866 4.350 0.004 0.000 0.282 183 T C -0.342 174.315 174.700 -0.072 0.000 1.000 183 T CA -0.738 61.262 62.100 -0.166 0.000 1.042 183 T CB 0.702 69.601 68.868 0.052 0.000 0.973 183 T HN 0.592 nan 8.240 nan 0.000 0.465 184 D N 0.050 120.399 120.400 -0.085 0.000 2.723 184 D HA -0.137 4.505 4.640 0.004 0.000 0.236 184 D C 0.471 176.689 176.300 -0.136 0.000 1.138 184 D CA 0.934 54.891 54.000 -0.071 0.000 0.676 184 D CB -1.589 39.208 40.800 -0.005 0.000 1.069 184 D HN 1.140 nan 8.370 nan 0.000 0.430 185 A N -0.271 122.426 122.820 -0.204 0.000 2.546 185 A HA 0.452 4.775 4.320 0.004 0.000 0.243 185 A C 1.798 179.145 177.584 -0.396 0.000 1.063 185 A CA 1.158 53.029 52.037 -0.276 0.000 0.757 185 A CB 0.261 19.079 19.000 -0.303 0.000 0.991 185 A HN 1.266 nan 8.150 nan 0.000 0.503 186 G N 1.136 109.482 108.800 -0.756 0.000 2.155 186 G HA2 0.140 4.102 3.960 0.004 0.000 0.257 186 G HA3 0.140 4.102 3.960 0.004 0.000 0.257 186 G C 1.629 175.953 174.900 -0.961 0.000 0.983 186 G CA 0.997 45.321 45.100 -1.294 0.000 0.676 186 G HN 2.853 nan 8.290 nan 0.000 0.528 187 G N -1.275 107.234 108.800 -0.484 0.000 2.148 187 G HA2 -0.237 3.726 3.960 0.004 0.000 0.254 187 G HA3 -0.237 3.726 3.960 0.004 0.000 0.254 187 G C 0.261 175.118 174.900 -0.072 0.000 0.981 187 G CA 0.473 45.536 45.100 -0.062 0.000 0.670 187 G HN 1.404 nan 8.290 nan 0.000 0.528 188 I N 1.394 121.884 120.570 -0.133 0.000 2.312 188 I HA 0.324 4.497 4.170 0.004 0.000 0.290 188 I C 1.007 177.085 176.117 -0.065 0.000 1.008 188 I CA -1.201 60.045 61.300 -0.090 0.000 1.226 188 I CB 1.646 39.575 38.000 -0.118 0.000 1.371 188 I HN -0.106 nan 8.210 nan 0.000 0.468 189 V N 6.555 126.449 119.914 -0.033 0.000 2.644 189 V HA -0.095 4.028 4.120 0.004 0.000 0.305 189 V C 0.713 176.793 176.094 -0.024 0.000 1.053 189 V CA 0.691 62.980 62.300 -0.017 0.000 1.186 189 V CB -0.005 31.816 31.823 -0.003 0.000 0.895 189 V HN 0.929 nan 8.190 nan 0.000 0.490 190 D N 1.963 122.353 120.400 -0.016 0.000 3.046 190 D HA -0.182 4.460 4.640 0.004 0.000 0.210 190 D C 0.532 176.811 176.300 -0.035 0.000 1.124 190 D CA 1.341 55.334 54.000 -0.012 0.000 0.986 190 D CB -1.129 39.670 40.800 -0.002 0.000 1.118 190 D HN 0.800 nan 8.370 nan 0.000 0.416 191 N N 1.729 120.388 118.700 -0.068 0.000 3.124 191 N HA 0.075 4.817 4.740 0.004 0.000 0.284 191 N C -1.326 174.099 175.510 -0.142 0.000 1.209 191 N CA -0.003 52.986 53.050 -0.103 0.000 1.149 191 N CB 0.160 38.569 38.487 -0.129 0.000 1.434 191 N HN -0.052 nan 8.380 nan 0.000 0.529 192 D N 2.155 122.488 120.400 -0.112 0.000 2.280 192 D HA 0.238 4.880 4.640 0.004 0.000 0.243 192 D C 0.524 176.717 176.300 -0.177 0.000 1.129 192 D CA -0.136 53.758 54.000 -0.177 0.000 0.848 192 D CB 0.997 41.771 40.800 -0.044 0.000 1.107 192 D HN 0.515 nan 8.370 nan 0.000 0.471 193 I N -1.463 118.911 120.570 -0.327 0.000 2.797 193 I HA 0.907 5.080 4.170 0.004 0.000 0.307 193 I C -0.769 175.301 176.117 -0.078 0.000 1.033 193 I CA -1.122 60.027 61.300 -0.252 0.000 1.071 193 I CB 2.304 40.006 38.000 -0.497 0.000 1.255 193 I HN 0.290 nan 8.210 nan 0.000 0.445 194 A N 3.474 126.411 122.820 0.195 0.000 2.587 194 A HA 0.861 5.184 4.320 0.004 0.000 0.293 194 A C -1.787 176.088 177.584 0.483 0.000 1.087 194 A CA -0.434 51.881 52.037 0.464 0.000 0.692 194 A CB 1.828 21.149 19.000 0.535 0.000 1.291 194 A HN 0.850 nan 8.150 nan 0.000 0.407 195 F N 1.019 121.124 119.950 0.257 0.000 2.588 195 F HA 0.683 5.213 4.527 0.004 0.000 0.314 195 F C -1.814 174.011 175.800 0.041 0.000 1.134 195 F CA -0.914 57.061 58.000 -0.042 0.000 0.961 195 F CB 1.889 40.699 39.000 -0.317 0.000 1.239 195 F HN 0.453 nan 8.300 nan 0.000 0.448 196 V N 5.015 124.604 119.914 -0.541 0.000 2.577 196 V HA 0.890 5.012 4.120 0.004 0.000 0.303 196 V C -0.118 175.462 176.094 -0.857 0.000 1.042 196 V CA -0.331 61.566 62.300 -0.671 0.000 0.872 196 V CB 1.394 33.121 31.823 -0.160 0.000 0.998 196 V HN 1.148 nan 8.190 nan 0.000 0.423 197 G N 2.541 110.773 108.800 -0.947 0.000 2.619 197 G HA2 0.927 4.889 3.960 0.004 0.000 0.296 197 G HA3 0.927 4.889 3.960 0.004 0.000 0.296 197 G C -1.209 173.625 174.900 -0.110 0.000 1.334 197 G CA -0.243 44.640 45.100 -0.362 0.000 0.934 197 G HN 1.203 nan 8.290 nan 0.000 0.476 198 A N -0.768 122.069 122.820 0.028 0.000 2.572 198 A HA 1.013 5.335 4.320 0.004 0.000 0.295 198 A C -0.602 177.044 177.584 0.104 0.000 1.072 198 A CA -0.046 52.030 52.037 0.065 0.000 0.691 198 A CB 1.672 20.691 19.000 0.033 0.000 1.291 198 A HN 2.339 nan 8.150 nan 0.000 0.404 199 A N 0.252 123.147 122.820 0.126 0.000 2.515 199 A HA 0.733 5.056 4.320 0.004 0.000 0.298 199 A C -1.894 175.806 177.584 0.193 0.000 1.059 199 A CA -0.399 51.714 52.037 0.127 0.000 0.698 199 A CB 1.287 20.376 19.000 0.148 0.000 1.289 199 A HN 1.802 nan 8.150 nan 0.000 0.404 200 Y N 1.420 121.749 120.300 0.048 0.000 2.338 200 Y HA 0.502 5.053 4.550 0.003 0.000 0.333 200 Y C -0.352 175.625 175.900 0.128 0.000 0.968 200 Y CA -0.830 57.318 58.100 0.080 0.000 1.123 200 Y CB 1.610 40.118 38.460 0.081 0.000 1.165 200 Y HN 0.600 nan 8.280 nan 0.000 0.452 201 K N 7.331 127.478 120.400 -0.422 0.000 2.292 201 K HA 0.140 4.463 4.320 0.004 0.000 0.290 201 K C -0.172 175.938 176.600 -0.817 0.000 1.083 201 K CA -0.223 55.791 56.287 -0.455 0.000 0.918 201 K CB 0.095 32.411 32.500 -0.308 0.000 1.089 201 K HN 0.738 nan 8.250 nan 0.000 0.473 202 F N 0.544 120.118 119.950 -0.627 0.000 2.664 202 F HA 0.384 4.913 4.527 0.002 0.000 0.303 202 F C -0.013 175.687 175.800 -0.166 0.000 1.092 202 F CA -0.679 57.042 58.000 -0.466 0.000 1.305 202 F CB 0.318 39.268 39.000 -0.083 0.000 1.054 202 F HN 0.271 nan 8.300 nan 0.000 0.565 203 N N 0.125 118.533 118.700 -0.486 0.000 3.322 203 N HA 0.019 4.761 4.740 0.004 0.000 0.233 203 N C -0.149 175.151 175.510 -0.349 0.000 1.399 203 N CA -0.188 52.651 53.050 -0.352 0.000 0.894 203 N CB 1.060 39.303 38.487 -0.407 0.000 1.440 203 N HN 0.007 nan 8.380 nan 0.000 0.503 204 D N 0.523 120.771 120.400 -0.253 0.000 2.218 204 D HA -0.077 4.566 4.640 0.004 0.000 0.204 204 D C 1.144 177.260 176.300 -0.308 0.000 0.976 204 D CA 1.246 55.105 54.000 -0.235 0.000 0.853 204 D CB 0.331 41.026 40.800 -0.175 0.000 0.939 204 D HN 0.523 nan 8.370 nan 0.000 0.481 205 A N 0.676 123.247 122.820 -0.415 0.000 1.984 205 A HA 0.355 4.678 4.320 0.004 0.000 0.214 205 A C 1.315 178.462 177.584 -0.730 0.000 1.173 205 A CA 0.953 52.621 52.037 -0.616 0.000 0.673 205 A CB 0.275 18.766 19.000 -0.848 0.000 0.830 205 A HN 0.242 nan 8.150 nan 0.000 0.453 206 G N -1.770 106.604 108.800 -0.711 0.000 2.574 206 G HA2 0.507 4.470 3.960 0.004 0.000 0.299 206 G HA3 0.507 4.470 3.960 0.004 0.000 0.299 206 G C -0.847 173.688 174.900 -0.608 0.000 1.298 206 G CA 0.265 45.006 45.100 -0.600 0.000 0.952 206 G HN 0.487 nan 8.290 nan 0.000 0.477 207 T N -1.786 112.715 114.554 -0.088 0.000 2.909 207 T HA 0.662 5.014 4.350 0.004 0.000 0.299 207 T C -1.499 173.361 174.700 0.268 0.000 1.073 207 T CA -0.679 61.479 62.100 0.097 0.000 0.999 207 T CB 1.922 70.806 68.868 0.028 0.000 1.098 207 T HN 1.286 nan 8.240 nan 0.000 0.477 208 V N 2.574 122.615 119.914 0.213 0.000 2.709 208 V HA 0.962 5.085 4.120 0.004 0.000 0.308 208 V C -0.020 175.957 176.094 -0.195 0.000 1.062 208 V CA 0.310 62.613 62.300 0.006 0.000 0.901 208 V CB 1.532 33.385 31.823 0.050 0.000 1.003 208 V HN 1.394 nan 8.190 nan 0.000 0.425 209 G N 4.374 112.793 108.800 -0.636 0.000 2.694 209 G HA2 0.713 4.675 3.960 0.004 0.000 0.290 209 G HA3 0.713 4.675 3.960 0.004 0.000 0.290 209 G C -2.231 172.472 174.900 -0.328 0.000 1.386 209 G CA -0.759 44.003 45.100 -0.564 0.000 0.872 209 G HN 1.044 nan 8.290 nan 0.000 0.475 210 L N 0.657 121.879 121.223 -0.002 0.000 2.439 210 L HA 0.634 4.977 4.340 0.004 0.000 0.270 210 L C -1.477 175.517 176.870 0.206 0.000 0.972 210 L CA -0.827 54.087 54.840 0.125 0.000 0.836 210 L CB 2.066 44.165 42.059 0.067 0.000 1.255 210 L HN 0.425 nan 8.230 nan 0.000 0.404 211 N N 3.780 122.644 118.700 0.274 0.000 2.321 211 N HA 0.466 5.208 4.740 0.004 0.000 0.299 211 N C -1.912 173.659 175.510 0.101 0.000 1.048 211 N CA -0.234 52.940 53.050 0.206 0.000 0.836 211 N CB 2.057 40.700 38.487 0.259 0.000 1.269 211 N HN 0.676 nan 8.380 nan 0.000 0.486 212 W N 3.161 124.317 121.300 -0.241 0.000 2.702 212 W HA 0.556 5.218 4.660 0.004 0.000 0.331 212 W C -1.692 174.625 176.519 -0.338 0.000 1.049 212 W CA -0.515 56.723 57.345 -0.179 0.000 1.230 212 W CB 0.755 30.151 29.460 -0.107 0.000 1.408 212 W HN 0.391 nan 8.180 nan 0.000 0.492 213 Y N 4.150 123.871 120.300 -0.964 0.000 2.492 213 Y HA 0.245 4.798 4.550 0.004 0.000 0.346 213 Y C -0.392 174.750 175.900 -1.263 0.000 0.997 213 Y CA -1.120 56.445 58.100 -0.891 0.000 1.025 213 Y CB 1.898 40.164 38.460 -0.322 0.000 1.263 213 Y HN 0.285 nan 8.280 nan 0.000 0.454 214 D N 1.832 121.783 120.400 -0.748 0.000 2.412 214 D HA 0.146 4.789 4.640 0.004 0.000 0.224 214 D C -0.290 175.936 176.300 -0.125 0.000 1.093 214 D CA -0.154 53.643 54.000 -0.338 0.000 0.850 214 D CB 0.614 41.368 40.800 -0.078 0.000 1.046 214 D HN 0.571 nan 8.370 nan 0.000 0.507 215 N N 2.929 121.561 118.700 -0.112 0.000 2.362 215 N HA 0.116 4.859 4.740 0.004 0.000 0.204 215 N C 1.325 176.776 175.510 -0.098 0.000 1.166 215 N CA 0.434 53.422 53.050 -0.104 0.000 0.831 215 N CB 0.488 38.906 38.487 -0.116 0.000 1.008 215 N HN 0.749 nan 8.380 nan 0.000 0.472 216 G N 1.619 110.372 108.800 -0.078 0.000 2.622 216 G HA2 -0.341 3.621 3.960 0.004 0.000 0.307 216 G HA3 -0.341 3.621 3.960 0.004 0.000 0.307 216 G C 0.705 175.570 174.900 -0.058 0.000 1.226 216 G CA 0.248 45.306 45.100 -0.070 0.000 0.997 216 G HN 0.336 nan 8.290 nan 0.000 0.551 217 L N 1.704 122.885 121.223 -0.069 0.000 2.599 217 L HA 0.254 4.597 4.340 0.004 0.000 0.230 217 L C 2.011 178.843 176.870 -0.064 0.000 1.141 217 L CA 0.668 55.473 54.840 -0.058 0.000 0.877 217 L CB -0.312 41.712 42.059 -0.058 0.000 1.009 217 L HN 0.564 nan 8.230 nan 0.000 0.447 218 S N -0.095 115.559 115.700 -0.077 0.000 2.566 218 S HA -0.061 4.412 4.470 0.004 0.000 0.280 218 S C 1.608 176.165 174.600 -0.072 0.000 1.343 218 S CA 0.197 58.350 58.200 -0.079 0.000 1.036 218 S CB 0.973 64.118 63.200 -0.092 0.000 0.866 218 S HN 0.433 nan 8.310 nan 0.000 0.526 219 T N 1.589 116.101 114.554 -0.070 0.000 3.113 219 T HA 0.103 4.456 4.350 0.004 0.000 0.263 219 T C 1.741 176.388 174.700 -0.088 0.000 1.143 219 T CA 0.738 62.798 62.100 -0.066 0.000 1.090 219 T CB -0.505 68.330 68.868 -0.056 0.000 0.922 219 T HN 0.742 nan 8.240 nan 0.000 0.521 220 A N 1.483 124.232 122.820 -0.118 0.000 1.969 220 A HA 0.487 4.809 4.320 0.004 0.000 0.218 220 A C 1.798 179.296 177.584 -0.143 0.000 1.169 220 A CA 0.977 52.908 52.037 -0.177 0.000 0.635 220 A CB -1.352 17.511 19.000 -0.228 0.000 0.810 220 A HN 1.420 nan 8.150 nan 0.000 0.445 221 G N -0.612 108.129 108.800 -0.098 0.000 2.645 221 G HA2 -0.151 3.812 3.960 0.004 0.000 0.239 221 G HA3 -0.151 3.812 3.960 0.004 0.000 0.239 221 G C -0.858 174.000 174.900 -0.070 0.000 1.331 221 G CA -0.109 44.955 45.100 -0.060 0.000 0.890 221 G HN 0.440 nan 8.290 nan 0.000 0.572 222 D N 0.755 121.139 120.400 -0.027 0.000 2.419 222 D HA 0.469 5.112 4.640 0.004 0.000 0.236 222 D C 0.785 177.059 176.300 -0.044 0.000 1.165 222 D CA 0.936 54.910 54.000 -0.045 0.000 0.882 222 D CB 0.892 41.766 40.800 0.124 0.000 1.201 222 D HN 0.737 nan 8.370 nan 0.000 0.443 223 Q N 0.089 119.836 119.800 -0.089 0.000 2.379 223 Q HA 0.603 4.945 4.340 0.004 0.000 0.278 223 Q C -2.065 174.014 176.000 0.132 0.000 1.068 223 Q CA -0.776 55.052 55.803 0.041 0.000 0.816 223 Q CB 1.860 30.632 28.738 0.057 0.000 1.387 223 Q HN 0.249 nan 8.270 nan 0.000 0.413 224 V N 2.088 122.141 119.914 0.232 0.000 2.709 224 V HA 0.590 4.712 4.120 0.004 0.000 0.308 224 V C -0.929 175.351 176.094 0.310 0.000 1.062 224 V CA -0.486 61.984 62.300 0.283 0.000 0.901 224 V CB 2.335 34.327 31.823 0.281 0.000 1.003 224 V HN 0.894 nan 8.190 nan 0.000 0.425 225 T N 5.550 120.299 114.554 0.324 0.000 2.840 225 T HA 0.585 4.937 4.350 0.004 0.000 0.287 225 T C -0.971 173.944 174.700 0.358 0.000 0.991 225 T CA -0.285 62.030 62.100 0.359 0.000 0.964 225 T CB 1.388 70.470 68.868 0.357 0.000 0.954 225 T HN 0.464 nan 8.240 nan 0.000 0.438 226 L N 5.673 127.100 121.223 0.340 0.000 2.313 226 L HA 0.784 5.126 4.340 0.004 0.000 0.283 226 L C -1.225 175.857 176.870 0.353 0.000 1.013 226 L CA -0.561 54.433 54.840 0.257 0.000 0.816 226 L CB 0.370 42.531 42.059 0.170 0.000 1.236 226 L HN 0.714 nan 8.230 nan 0.000 0.419 227 Y N 2.611 123.035 120.300 0.207 0.000 2.615 227 Y HA 1.004 5.557 4.550 0.005 0.000 0.341 227 Y C -0.367 175.652 175.900 0.198 0.000 1.089 227 Y CA -0.834 57.406 58.100 0.233 0.000 1.049 227 Y CB 1.492 40.093 38.460 0.236 0.000 1.296 227 Y HN 0.782 nan 8.280 nan 0.000 0.470 228 G N 1.154 110.132 108.800 0.297 0.000 2.698 228 G HA2 0.535 4.497 3.960 0.004 0.000 0.293 228 G HA3 0.535 4.497 3.960 0.004 0.000 0.293 228 G C -2.367 172.720 174.900 0.311 0.000 1.437 228 G CA -1.316 43.917 45.100 0.222 0.000 0.852 228 G HN 1.155 nan 8.290 nan 0.000 0.499 229 N N -1.082 117.789 118.700 0.283 0.000 2.396 229 N HA 0.533 5.275 4.740 0.004 0.000 0.275 229 N C -2.265 173.381 175.510 0.226 0.000 1.218 229 N CA -0.728 52.467 53.050 0.241 0.000 0.812 229 N CB 2.993 41.598 38.487 0.196 0.000 1.592 229 N HN 0.515 nan 8.380 nan 0.000 0.480 230 Y N 0.384 120.680 120.300 -0.008 0.000 2.401 230 Y HA 0.582 5.134 4.550 0.003 0.000 0.330 230 Y C -1.516 174.220 175.900 -0.274 0.000 1.071 230 Y CA -0.526 57.460 58.100 -0.190 0.000 1.049 230 Y CB 1.887 40.226 38.460 -0.201 0.000 1.239 230 Y HN 0.889 nan 8.280 nan 0.000 0.437 231 A N 5.609 127.972 122.820 -0.762 0.000 2.276 231 A HA 0.686 5.008 4.320 0.004 0.000 0.316 231 A C -1.797 175.407 177.584 -0.633 0.000 1.229 231 A CA -0.346 51.393 52.037 -0.496 0.000 0.851 231 A CB -0.139 18.662 19.000 -0.332 0.000 1.165 231 A HN 0.600 nan 8.150 nan 0.000 0.513 232 F N 3.037 122.924 119.950 -0.105 0.000 2.363 232 F HA 0.514 5.043 4.527 0.004 0.000 0.366 232 F C 1.273 177.069 175.800 -0.006 0.000 1.083 232 F CA 0.547 58.533 58.000 -0.024 0.000 1.176 232 F CB 0.935 39.984 39.000 0.081 0.000 1.432 232 F HN 1.118 nan 8.300 nan 0.000 0.482 233 G N 2.035 110.891 108.800 0.094 0.000 2.565 233 G HA2 -0.317 3.646 3.960 0.004 0.000 0.295 233 G HA3 -0.317 3.646 3.960 0.004 0.000 0.295 233 G C 1.129 176.045 174.900 0.027 0.000 1.165 233 G CA 0.299 45.434 45.100 0.058 0.000 0.977 233 G HN 0.891 nan 8.290 nan 0.000 0.546 234 A N -0.499 122.346 122.820 0.042 0.000 2.218 234 A HA 0.555 4.877 4.320 0.004 0.000 0.209 234 A C 1.241 178.836 177.584 0.019 0.000 1.168 234 A CA 1.978 53.977 52.037 -0.062 0.000 0.804 234 A CB -0.062 18.795 19.000 -0.237 0.000 0.834 234 A HN 1.141 nan 8.150 nan 0.000 0.482 235 T N 1.163 115.831 114.554 0.191 0.000 2.795 235 T HA 0.480 4.833 4.350 0.004 0.000 0.282 235 T C -0.369 174.469 174.700 0.230 0.000 0.980 235 T CA 0.029 62.294 62.100 0.275 0.000 1.012 235 T CB 1.353 70.420 68.868 0.333 0.000 0.936 235 T HN 0.120 nan 8.240 nan 0.000 0.457 236 T N 2.880 117.546 114.554 0.186 0.000 2.807 236 T HA 0.527 4.879 4.350 0.004 0.000 0.279 236 T C -0.219 174.607 174.700 0.209 0.000 0.993 236 T CA -0.503 61.685 62.100 0.147 0.000 0.970 236 T CB 1.307 70.219 68.868 0.073 0.000 0.950 236 T HN 0.298 nan 8.240 nan 0.000 0.441 237 V N 4.460 124.530 119.914 0.260 0.000 2.547 237 V HA 0.601 4.724 4.120 0.004 0.000 0.299 237 V C 0.053 176.284 176.094 0.229 0.000 1.040 237 V CA -0.709 61.752 62.300 0.268 0.000 0.913 237 V CB 1.676 33.717 31.823 0.363 0.000 0.992 237 V HN 0.735 nan 8.190 nan 0.000 0.449 238 R N 2.357 122.982 120.500 0.208 0.000 2.795 238 R HA 0.906 5.248 4.340 0.004 0.000 0.275 238 R C -1.037 175.396 176.300 0.222 0.000 0.981 238 R CA -0.603 55.631 56.100 0.222 0.000 0.917 238 R CB 2.392 32.816 30.300 0.208 0.000 1.202 238 R HN 0.817 nan 8.270 nan 0.000 0.469 239 A N 1.389 124.367 122.820 0.263 0.000 2.609 239 A HA 0.762 5.084 4.320 0.004 0.000 0.291 239 A C -1.933 175.860 177.584 0.349 0.000 1.096 239 A CA -0.744 51.426 52.037 0.222 0.000 0.684 239 A CB 1.508 20.599 19.000 0.152 0.000 1.282 239 A HN 0.772 nan 8.150 nan 0.000 0.412 240 Y N -1.830 118.603 120.300 0.221 0.000 2.677 240 Y HA 0.724 5.276 4.550 0.004 0.000 0.334 240 Y C -1.105 174.935 175.900 0.233 0.000 1.196 240 Y CA -1.128 57.120 58.100 0.247 0.000 1.059 240 Y CB 1.079 39.691 38.460 0.255 0.000 1.315 240 Y HN 1.498 nan 8.280 nan 0.000 0.455 241 V N -0.658 119.500 119.914 0.408 0.000 2.808 241 V HA 0.901 5.023 4.120 0.004 0.000 0.308 241 V C -0.961 175.402 176.094 0.448 0.000 1.099 241 V CA -0.404 62.086 62.300 0.317 0.000 0.920 241 V CB 1.239 33.179 31.823 0.195 0.000 1.014 241 V HN 1.103 nan 8.190 nan 0.000 0.425 242 S N 1.867 117.831 115.700 0.441 0.000 2.549 242 S HA 0.704 5.176 4.470 0.004 0.000 0.280 242 S C -1.700 173.197 174.600 0.494 0.000 1.109 242 S CA -0.518 57.961 58.200 0.465 0.000 0.905 242 S CB 1.943 65.466 63.200 0.538 0.000 1.081 242 S HN 0.982 nan 8.310 nan 0.000 0.477 243 D N 2.502 123.158 120.400 0.427 0.000 2.780 243 D HA 0.534 5.176 4.640 0.004 0.000 0.242 243 D C -0.451 175.959 176.300 0.183 0.000 1.135 243 D CA -0.262 53.944 54.000 0.343 0.000 0.859 243 D CB 1.821 42.752 40.800 0.218 0.000 1.530 243 D HN 0.671 nan 8.370 nan 0.000 0.493 244 I N -1.901 118.669 120.570 0.000 0.000 2.910 244 I HA 0.463 4.636 4.170 0.004 0.000 0.310 244 I C 0.360 176.434 176.117 -0.072 0.000 1.043 244 I CA -0.760 60.439 61.300 -0.168 0.000 1.053 244 I CB 1.784 39.462 38.000 -0.537 0.000 1.242 244 I HN -0.048 nan 8.210 nan 0.000 0.452 245 D N 0.953 121.318 120.400 -0.058 0.000 2.277 245 D HA -0.030 4.612 4.640 0.004 0.000 0.208 245 D C 0.913 177.191 176.300 -0.037 0.000 0.962 245 D CA 0.693 54.682 54.000 -0.019 0.000 0.865 245 D CB 0.005 40.805 40.800 0.001 0.000 0.939 245 D HN 0.455 nan 8.370 nan 0.000 0.510 246 R N 0.967 121.420 120.500 -0.079 0.000 2.494 246 R HA 0.066 4.408 4.340 0.004 0.000 0.291 246 R C -0.200 176.081 176.300 -0.032 0.000 0.953 246 R CA -0.131 55.930 56.100 -0.065 0.000 1.098 246 R CB 0.284 30.527 30.300 -0.096 0.000 0.911 246 R HN -0.075 nan 8.270 nan 0.000 0.407 247 A N 3.548 126.358 122.820 -0.017 0.000 2.546 247 A HA 0.338 4.661 4.320 0.004 0.000 0.243 247 A C 1.398 178.983 177.584 0.002 0.000 1.063 247 A CA 0.628 52.664 52.037 -0.002 0.000 0.757 247 A CB -0.091 18.909 19.000 -0.001 0.000 0.991 247 A HN 1.141 nan 8.150 nan 0.000 0.503 248 G N 0.911 109.719 108.800 0.012 0.000 2.199 248 G HA2 0.119 4.082 3.960 0.004 0.000 0.254 248 G HA3 0.119 4.082 3.960 0.004 0.000 0.254 248 G C 0.664 175.582 174.900 0.030 0.000 0.982 248 G CA 0.500 45.611 45.100 0.018 0.000 0.632 248 G HN 2.235 nan 8.290 nan 0.000 0.529 249 A N 0.417 123.256 122.820 0.031 0.000 2.445 249 A HA 0.515 4.837 4.320 0.004 0.000 0.242 249 A C 0.448 178.098 177.584 0.110 0.000 1.075 249 A CA 0.429 52.507 52.037 0.068 0.000 0.777 249 A CB 0.308 19.326 19.000 0.031 0.000 1.013 249 A HN 0.327 nan 8.150 nan 0.000 0.493 250 D N 0.673 121.153 120.400 0.135 0.000 2.354 250 D HA 0.283 4.926 4.640 0.004 0.000 0.247 250 D C 0.063 176.489 176.300 0.210 0.000 1.138 250 D CA 0.412 54.488 54.000 0.127 0.000 0.958 250 D CB 0.603 41.440 40.800 0.063 0.000 1.144 250 D HN 0.461 nan 8.370 nan 0.000 0.458 251 T N 0.681 115.346 114.554 0.185 0.000 2.814 251 T HA 0.437 4.790 4.350 0.004 0.000 0.297 251 T C 0.163 174.955 174.700 0.154 0.000 0.956 251 T CA -0.491 61.745 62.100 0.226 0.000 1.123 251 T CB 0.839 69.825 68.868 0.196 0.000 0.902 251 T HN 0.372 nan 8.240 nan 0.000 0.528 252 A N 3.670 126.497 122.820 0.013 0.000 2.316 252 A HA 0.759 5.082 4.320 0.004 0.000 0.284 252 A C -0.737 176.880 177.584 0.055 0.000 1.115 252 A CA -0.631 51.244 52.037 -0.270 0.000 0.812 252 A CB 0.192 18.721 19.000 -0.784 0.000 1.064 252 A HN 0.915 nan 8.150 nan 0.000 0.489 253 Y N -1.594 118.608 120.300 -0.164 0.000 2.624 253 Y HA 0.755 5.307 4.550 0.004 0.000 0.334 253 Y C -0.184 175.354 175.900 -0.604 0.000 1.155 253 Y CA -0.746 57.111 58.100 -0.406 0.000 1.046 253 Y CB 0.838 39.166 38.460 -0.219 0.000 1.316 253 Y HN 1.094 nan 8.280 nan 0.000 0.457 254 G N 0.957 109.251 108.800 -0.843 0.000 2.718 254 G HA2 0.615 4.577 3.960 0.004 0.000 0.295 254 G HA3 0.615 4.577 3.960 0.004 0.000 0.295 254 G C -2.566 172.236 174.900 -0.162 0.000 1.421 254 G CA -0.914 43.899 45.100 -0.478 0.000 0.902 254 G HN 0.970 nan 8.290 nan 0.000 0.501 255 I N 0.682 121.263 120.570 0.020 0.000 2.569 255 I HA 0.857 5.029 4.170 0.004 0.000 0.290 255 I C 0.075 176.257 176.117 0.107 0.000 1.088 255 I CA -0.078 61.271 61.300 0.082 0.000 1.047 255 I CB 2.047 40.099 38.000 0.087 0.000 1.237 255 I HN 0.999 nan 8.210 nan 0.000 0.421 256 G N 4.670 113.548 108.800 0.131 0.000 2.645 256 G HA2 0.895 4.858 3.960 0.004 0.000 0.292 256 G HA3 0.895 4.858 3.960 0.004 0.000 0.292 256 G C -2.151 172.832 174.900 0.138 0.000 1.415 256 G CA -0.293 44.883 45.100 0.127 0.000 0.785 256 G HN 0.962 nan 8.290 nan 0.000 0.483 257 A N -0.192 122.706 122.820 0.128 0.000 2.572 257 A HA 0.790 5.113 4.320 0.004 0.000 0.295 257 A C -1.869 175.796 177.584 0.135 0.000 1.072 257 A CA -0.684 51.438 52.037 0.142 0.000 0.691 257 A CB 1.962 21.044 19.000 0.137 0.000 1.291 257 A HN 0.488 nan 8.150 nan 0.000 0.404 258 D N 0.211 120.699 120.400 0.146 0.000 2.481 258 D HA 0.483 5.125 4.640 0.004 0.000 0.244 258 D C -1.715 174.709 176.300 0.207 0.000 1.057 258 D CA 0.198 54.282 54.000 0.140 0.000 0.848 258 D CB 2.140 42.991 40.800 0.086 0.000 1.388 258 D HN 0.465 nan 8.370 nan 0.000 0.475 259 Y N 1.130 121.468 120.300 0.062 0.000 2.326 259 Y HA 0.227 4.779 4.550 0.004 0.000 0.329 259 Y C -0.556 175.398 175.900 0.091 0.000 0.973 259 Y CA -0.876 57.271 58.100 0.077 0.000 1.162 259 Y CB 1.609 40.119 38.460 0.083 0.000 1.147 259 Y HN 0.110 nan 8.280 nan 0.000 0.456 260 Q N 6.026 125.569 119.800 -0.428 0.000 2.534 260 Q HA 0.153 4.496 4.340 0.004 0.000 0.223 260 Q C 0.186 175.883 176.000 -0.505 0.000 1.239 260 Q CA 0.154 55.762 55.803 -0.325 0.000 0.936 260 Q CB -0.253 28.352 28.738 -0.221 0.000 1.457 260 Q HN 0.841 nan 8.270 nan 0.000 0.547 261 F N 2.381 122.089 119.950 -0.404 0.000 2.171 261 F HA 0.115 4.645 4.527 0.004 0.000 0.300 261 F C 0.357 176.085 175.800 -0.119 0.000 1.090 261 F CA 1.158 59.041 58.000 -0.196 0.000 1.293 261 F CB 0.301 39.329 39.000 0.047 0.000 1.013 261 F HN 0.528 nan 8.300 nan 0.000 0.486 262 A N -0.697 122.076 122.820 -0.078 0.000 2.540 262 A HA 0.300 4.623 4.320 0.004 0.000 0.291 262 A C -0.870 176.696 177.584 -0.030 0.000 1.083 262 A CA -0.718 51.246 52.037 -0.121 0.000 0.650 262 A CB -0.001 18.946 19.000 -0.088 0.000 1.292 262 A HN 0.106 nan 8.150 nan 0.000 0.435 263 E N -0.076 120.105 120.200 -0.031 0.000 2.417 263 E HA 0.359 4.712 4.350 0.004 0.000 0.261 263 E C 1.248 177.868 176.600 0.032 0.000 1.000 263 E CA 1.462 57.855 56.400 -0.011 0.000 0.919 263 E CB 0.108 29.801 29.700 -0.012 0.000 0.955 263 E HN 2.098 nan 8.360 nan 0.000 0.455 264 G N 2.706 111.522 108.800 0.026 0.000 2.179 264 G HA2 -0.257 3.706 3.960 0.004 0.000 0.260 264 G HA3 -0.257 3.706 3.960 0.004 0.000 0.260 264 G C -0.094 174.866 174.900 0.101 0.000 0.977 264 G CA 0.194 45.327 45.100 0.055 0.000 0.641 264 G HN 0.525 nan 8.290 nan 0.000 0.533 265 V N 0.578 120.562 119.914 0.117 0.000 2.482 265 V HA 0.680 4.803 4.120 0.004 0.000 0.295 265 V C -0.046 176.121 176.094 0.121 0.000 1.026 265 V CA -0.609 61.793 62.300 0.170 0.000 0.856 265 V CB 1.819 33.809 31.823 0.279 0.000 1.001 265 V HN 0.419 nan 8.190 nan 0.000 0.424 266 K N 3.826 124.267 120.400 0.068 0.000 2.426 266 K HA 0.751 5.074 4.320 0.004 0.000 0.254 266 K C -1.561 175.064 176.600 0.043 0.000 0.936 266 K CA -0.520 55.793 56.287 0.043 0.000 0.801 266 K CB 2.241 34.736 32.500 -0.007 0.000 1.139 266 K HN 0.457 nan 8.250 nan 0.000 0.424 267 V N 3.380 123.351 119.914 0.094 0.000 2.370 267 V HA 0.421 4.544 4.120 0.004 0.000 0.279 267 V C -0.600 175.546 176.094 0.085 0.000 1.029 267 V CA -0.428 61.906 62.300 0.058 0.000 0.870 267 V CB 1.279 33.162 31.823 0.101 0.000 0.984 267 V HN 0.848 nan 8.190 nan 0.000 0.451 268 S N 2.485 118.222 115.700 0.062 0.000 2.595 268 S HA 0.951 5.424 4.470 0.004 0.000 0.281 268 S C 0.014 174.684 174.600 0.116 0.000 1.117 268 S CA -0.543 57.718 58.200 0.102 0.000 0.873 268 S CB 2.250 65.517 63.200 0.111 0.000 1.108 268 S HN 1.114 nan 8.310 nan 0.000 0.477 269 G N 0.425 109.295 108.800 0.118 0.000 2.692 269 G HA2 0.727 4.690 3.960 0.004 0.000 0.291 269 G HA3 0.727 4.690 3.960 0.004 0.000 0.291 269 G C -1.227 173.741 174.900 0.115 0.000 1.423 269 G CA -0.472 44.701 45.100 0.121 0.000 0.843 269 G HN 1.162 nan 8.290 nan 0.000 0.486 270 S N -1.652 114.116 115.700 0.114 0.000 2.588 270 S HA 0.765 5.238 4.470 0.004 0.000 0.269 270 S C -1.707 172.953 174.600 0.100 0.000 1.157 270 S CA -0.727 57.536 58.200 0.105 0.000 0.824 270 S CB 1.908 65.172 63.200 0.107 0.000 1.126 270 S HN 1.229 nan 8.310 nan 0.000 0.464 271 V N 1.797 121.766 119.914 0.092 0.000 2.525 271 V HA 0.610 4.733 4.120 0.004 0.000 0.299 271 V C -0.764 175.368 176.094 0.063 0.000 1.034 271 V CA -0.348 62.005 62.300 0.088 0.000 0.863 271 V CB 1.406 33.278 31.823 0.083 0.000 0.999 271 V HN 0.954 nan 8.190 nan 0.000 0.423 272 Q N 1.772 121.608 119.800 0.059 0.000 2.456 272 Q HA 0.737 5.080 4.340 0.004 0.000 0.283 272 Q C -1.036 174.937 176.000 -0.045 0.000 1.084 272 Q CA -0.680 55.136 55.803 0.021 0.000 0.801 272 Q CB 2.772 31.615 28.738 0.175 0.000 1.434 272 Q HN 0.651 nan 8.270 nan 0.000 0.419 273 S N -0.270 115.243 115.700 -0.312 0.000 2.594 273 S HA 0.746 5.219 4.470 0.004 0.000 0.296 273 S C -0.582 173.601 174.600 -0.696 0.000 1.124 273 S CA -0.389 57.504 58.200 -0.512 0.000 1.011 273 S CB 1.104 63.727 63.200 -0.960 0.000 1.016 273 S HN 0.730 nan 8.310 nan 0.000 0.485 274 G N 2.138 110.326 108.800 -1.020 0.000 2.532 274 G HA2 0.501 4.464 3.960 0.004 0.000 0.291 274 G HA3 0.501 4.464 3.960 0.004 0.000 0.291 274 G C 0.135 174.491 174.900 -0.907 0.000 1.349 274 G CA -0.620 43.393 45.100 -1.812 0.000 1.038 274 G HN 0.662 nan 8.290 nan 0.000 0.518 275 F N 0.169 119.804 119.950 -0.526 0.000 2.365 275 F HA 0.139 4.669 4.527 0.004 0.000 0.300 275 F C 2.472 178.171 175.800 -0.167 0.000 1.090 275 F CA 1.034 58.900 58.000 -0.223 0.000 1.408 275 F CB 0.057 38.981 39.000 -0.127 0.000 1.060 275 F HN 0.338 nan 8.300 nan 0.000 0.534 276 A N -0.547 122.241 122.820 -0.054 0.000 2.610 276 A HA 0.311 4.634 4.320 0.004 0.000 0.286 276 A C 0.844 178.377 177.584 -0.085 0.000 1.306 276 A CA -0.015 51.998 52.037 -0.040 0.000 0.942 276 A CB -0.782 18.204 19.000 -0.023 0.000 1.112 276 A HN 0.290 nan 8.150 nan 0.000 0.527 277 N N -0.170 118.449 118.700 -0.136 0.000 2.753 277 N HA -0.159 4.583 4.740 0.004 0.000 0.251 277 N C -0.566 174.860 175.510 -0.141 0.000 1.097 277 N CA 1.321 54.294 53.050 -0.128 0.000 0.786 277 N CB -1.368 37.087 38.487 -0.053 0.000 1.137 277 N HN 0.725 nan 8.380 nan 0.000 0.566 278 E N -0.401 119.685 120.200 -0.190 0.000 2.392 278 E HA 0.201 4.553 4.350 0.004 0.000 0.264 278 E C -0.011 176.534 176.600 -0.092 0.000 1.024 278 E CA 0.535 56.867 56.400 -0.113 0.000 0.903 278 E CB 0.513 30.171 29.700 -0.070 0.000 0.963 278 E HN 0.115 nan 8.360 nan 0.000 0.432 279 T N 2.106 116.639 114.554 -0.034 0.000 2.772 279 T HA 0.487 4.840 4.350 0.004 0.000 0.288 279 T C -0.757 173.969 174.700 0.044 0.000 0.994 279 T CA -0.807 61.303 62.100 0.018 0.000 0.951 279 T CB 0.521 69.428 68.868 0.065 0.000 0.933 279 T HN 0.345 nan 8.240 nan 0.000 0.447 280 V N 0.536 120.519 119.914 0.114 0.000 2.823 280 V HA 1.069 5.191 4.120 0.004 0.000 0.312 280 V C -0.666 175.541 176.094 0.190 0.000 1.072 280 V CA -1.178 61.192 62.300 0.117 0.000 0.937 280 V CB 1.508 33.382 31.823 0.085 0.000 1.013 280 V HN 1.059 nan 8.190 nan 0.000 0.430 281 A N 3.325 126.301 122.820 0.260 0.000 2.572 281 A HA 0.965 5.287 4.320 0.004 0.000 0.295 281 A C -1.264 176.444 177.584 0.206 0.000 1.072 281 A CA -0.059 52.110 52.037 0.221 0.000 0.691 281 A CB 2.000 21.126 19.000 0.211 0.000 1.291 281 A HN 1.552 nan 8.150 nan 0.000 0.404 282 D N -1.218 119.287 120.400 0.175 0.000 2.602 282 D HA 0.597 5.240 4.640 0.004 0.000 0.236 282 D C -1.444 174.990 176.300 0.224 0.000 1.209 282 D CA -0.723 53.425 54.000 0.247 0.000 0.831 282 D CB 2.040 42.993 40.800 0.255 0.000 1.478 282 D HN 0.966 nan 8.370 nan 0.000 0.438 283 V N 0.286 120.320 119.914 0.200 0.000 2.752 283 V HA 0.874 4.997 4.120 0.004 0.000 0.302 283 V C -0.508 175.398 176.094 -0.313 0.000 1.133 283 V CA 0.545 62.863 62.300 0.029 0.000 0.919 283 V CB 0.982 32.801 31.823 -0.007 0.000 1.026 283 V HN 1.203 nan 8.190 nan 0.000 0.429 284 G N 3.558 112.065 108.800 -0.489 0.000 2.490 284 G HA2 0.633 4.595 3.960 0.004 0.000 0.308 284 G HA3 0.633 4.595 3.960 0.004 0.000 0.308 284 G C -1.940 172.645 174.900 -0.526 0.000 1.286 284 G CA 0.139 44.663 45.100 -0.961 0.000 0.825 284 G HN 1.424 nan 8.290 nan 0.000 0.479 285 V N -0.293 119.269 119.914 -0.586 0.000 2.841 285 V HA 0.891 5.013 4.120 0.004 0.000 0.310 285 V C -0.705 175.283 176.094 -0.177 0.000 1.090 285 V CA -0.937 61.167 62.300 -0.325 0.000 0.930 285 V CB 1.898 33.484 31.823 -0.394 0.000 1.014 285 V HN 1.006 nan 8.190 nan 0.000 0.425 286 R N 5.304 125.777 120.500 -0.046 0.000 2.599 286 R HA 0.723 5.066 4.340 0.004 0.000 0.295 286 R C -1.851 174.484 176.300 0.059 0.000 0.963 286 R CA -0.509 55.553 56.100 -0.063 0.000 0.883 286 R CB 1.777 31.973 30.300 -0.174 0.000 1.171 286 R HN 0.736 nan 8.270 nan 0.000 0.450 287 F N 0.391 120.339 119.950 -0.002 0.000 2.547 287 F HA 0.500 5.029 4.527 0.004 0.000 0.316 287 F C -1.325 174.466 175.800 -0.015 0.000 1.121 287 F CA -1.259 56.762 58.000 0.035 0.000 0.911 287 F CB 1.555 40.626 39.000 0.117 0.000 1.179 287 F HN 0.362 nan 8.300 nan 0.000 0.443 288 D N 3.982 124.400 120.400 0.030 0.000 2.177 288 D HA 0.600 5.242 4.640 0.004 0.000 0.247 288 D C -0.679 175.616 176.300 -0.007 0.000 1.063 288 D CA 0.085 53.993 54.000 -0.153 0.000 0.867 288 D CB 1.532 42.274 40.800 -0.097 0.000 1.168 288 D HN 0.459 nan 8.370 nan 0.000 0.445 289 F N 0.000 120.030 119.950 0.133 0.000 2.286 289 F HA 0.000 4.530 4.527 0.004 0.000 0.279 289 F CA 0.000 58.076 58.000 0.127 0.000 1.383 289 F CB 0.000 39.103 39.000 0.173 0.000 1.145 289 F HN 0.000 nan 8.300 nan 0.000 0.574