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 1kmm_1_A DATA FIRST_RESID 4 DATA SEQUENCE NIQAIRGMND YLPGETAIWQ RIEGTLKNVL GSYGYSEIRL PIVEQTPLFK DATA SEQUENCE RAIGEVTDVV EKEMYTFEDR NGDSLTLRPE GTAGCVRAGI EHGLLYNQEQ DATA SEQUENCE RLWYIGPMFR HERPQKGRYR QFHQLGCEVF GLQGPDIDAE LIMLTARWWR DATA SEQUENCE ALGISEHVTL ELNSIGSLEA RANYRDALVA FLEQHXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX ALGDYLDEES REHFAGLCKL LESAGIAYTV DATA SEQUENCE NQRLVRGLDY YNRTVFEWVT NSLGSQGTVC AGGRYDGLVE QLGGRATPAV DATA SEQUENCE GFAMGLERLV LLVQAVNPEF KADPVVDIYL VASGADTQSA AMALAERLRD DATA SEQUENCE ELPGVKLMTN HGGGNFKKQF ARADKWGARV AVVLGESEVA NGTAVVKDLR DATA SEQUENCE SGEQTAVAQD SVAAHLRTLL G 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 4 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.509 175.510 -0.002 0.000 1.280 4 N CA 0.000 53.048 53.050 -0.003 0.000 0.885 4 N CB 0.000 38.485 38.487 -0.003 0.000 1.341 5 I N 0.565 121.133 120.570 -0.004 0.000 2.437 5 I HA 0.230 nan 4.170 nan 0.000 0.298 5 I C -0.375 175.739 176.117 -0.005 0.000 0.984 5 I CA -0.434 60.864 61.300 -0.004 0.000 1.214 5 I CB 1.170 39.167 38.000 -0.004 0.000 1.365 5 I HN 0.174 8.381 8.210 -0.005 0.000 0.469 6 Q N 4.577 124.374 119.800 -0.004 0.000 2.293 6 Q HA 0.182 nan 4.340 nan 0.000 0.216 6 Q C -1.103 174.893 176.000 -0.007 0.000 1.003 6 Q CA -0.863 54.937 55.803 -0.006 0.000 0.995 6 Q CB 2.035 30.771 28.738 -0.002 0.000 1.172 6 Q HN 0.180 8.450 8.270 -0.001 0.000 0.518 7 A N 0.503 123.316 122.820 -0.011 0.000 2.304 7 A HA 0.157 nan 4.320 nan 0.000 0.301 7 A C -0.003 177.582 177.584 0.001 0.000 1.132 7 A CA -0.511 51.519 52.037 -0.013 0.000 0.819 7 A CB 0.531 19.512 19.000 -0.031 0.000 1.094 7 A HN 0.099 8.241 8.150 -0.013 0.000 0.492 8 I N 1.088 121.664 120.570 0.010 0.000 2.845 8 I HA -0.167 nan 4.170 nan 0.000 0.296 8 I C 0.263 176.397 176.117 0.029 0.000 1.216 8 I CA -0.282 61.035 61.300 0.029 0.000 1.438 8 I CB 1.051 39.078 38.000 0.045 0.000 1.342 8 I HN 0.182 8.395 8.210 0.005 0.000 0.577 9 R N 7.276 127.797 120.500 0.034 0.000 2.570 9 R HA -0.174 nan 4.340 nan 0.000 0.277 9 R C 0.840 177.165 176.300 0.042 0.000 1.039 9 R CA 1.613 57.732 56.100 0.032 0.000 1.065 9 R CB 0.424 30.741 30.300 0.028 0.000 0.964 9 R HN 0.341 8.633 8.270 0.038 0.000 0.428 10 G N 2.504 111.341 108.800 0.062 0.000 2.157 10 G HA2 -0.341 nan 3.960 nan 0.000 0.248 10 G HA3 -0.341 nan 3.960 nan 0.000 0.248 10 G C -1.134 173.840 174.900 0.123 0.000 0.979 10 G CA 0.346 45.511 45.100 0.108 0.000 0.650 10 G HN 0.495 8.822 8.290 0.061 0.000 0.529 11 M N -0.636 118.995 119.600 0.051 0.000 2.142 11 M HA 0.114 nan 4.480 nan 0.000 0.299 11 M C -1.391 174.855 176.300 -0.090 0.000 0.960 11 M CA -0.470 54.825 55.300 -0.009 0.000 0.920 11 M CB 1.490 34.092 32.600 0.004 0.000 1.541 11 M HN -0.791 7.467 8.290 0.037 0.055 0.429 12 N N 5.290 123.863 118.700 -0.211 0.000 2.476 12 N HA 0.129 nan 4.740 nan 0.000 0.275 12 N C -1.365 173.830 175.510 -0.525 0.000 1.190 12 N CA -0.099 52.708 53.050 -0.405 0.000 0.977 12 N CB 1.015 39.097 38.487 -0.674 0.000 1.200 12 N HN 0.312 8.570 8.380 -0.203 0.000 0.515 13 D N -0.310 119.761 120.400 -0.549 0.000 2.256 13 D HA 0.137 nan 4.640 nan 0.000 0.246 13 D C -1.057 174.863 176.300 -0.632 0.000 1.042 13 D CA -0.308 53.425 54.000 -0.445 0.000 0.841 13 D CB 1.713 42.375 40.800 -0.229 0.000 1.223 13 D HN 0.138 8.224 8.370 -0.473 0.000 0.470 14 Y N 0.537 120.716 120.300 -0.201 0.000 2.356 14 Y HA 0.131 nan 4.550 nan 0.000 0.334 14 Y C -0.321 175.482 175.900 -0.161 0.000 0.958 14 Y CA -0.646 57.299 58.100 -0.259 0.000 1.196 14 Y CB 0.777 38.933 38.460 -0.506 0.000 1.137 14 Y HN 0.015 8.152 8.280 -0.238 0.000 0.485 15 L N 3.981 125.214 121.223 0.017 0.000 2.456 15 L HA 0.253 nan 4.340 nan 0.000 0.257 15 L C -0.200 176.695 176.870 0.042 0.000 1.162 15 L CA -1.959 52.892 54.840 0.018 0.000 0.808 15 L CB -0.465 41.602 42.059 0.012 0.000 1.136 15 L HN 0.314 8.556 8.230 0.020 0.000 0.466 16 P HA -0.282 nan 4.420 nan 0.000 0.216 16 P C 1.471 178.817 177.300 0.076 0.000 1.154 16 P CA 3.215 66.355 63.100 0.067 0.000 0.865 16 P CB -0.152 31.602 31.700 0.089 0.000 0.789 17 G N -4.340 104.504 108.800 0.073 0.000 2.446 17 G HA2 -0.226 nan 3.960 nan 0.000 0.217 17 G HA3 -0.226 nan 3.960 nan 0.000 0.217 17 G C 1.574 176.535 174.900 0.103 0.000 1.168 17 G CA 1.742 46.890 45.100 0.080 0.000 0.771 17 G HN 0.197 8.521 8.290 0.063 0.004 0.551 18 E N 0.104 120.375 120.200 0.118 0.000 2.230 18 E HA -0.069 nan 4.350 nan 0.000 0.192 18 E C 1.852 178.573 176.600 0.201 0.000 0.987 18 E CA 1.524 58.035 56.400 0.184 0.000 0.841 18 E CB 0.223 30.055 29.700 0.219 0.000 0.783 18 E HN -0.609 7.811 8.360 0.100 0.000 0.481 19 T N 1.404 116.012 114.554 0.089 0.000 2.685 19 T HA -0.338 nan 4.350 nan 0.000 0.268 19 T C 1.314 176.092 174.700 0.130 0.000 1.034 19 T CA 4.404 66.527 62.100 0.038 0.000 1.149 19 T CB -0.386 68.491 68.868 0.014 0.000 0.860 19 T HN 0.158 8.443 8.240 0.075 0.000 0.449 20 A N 0.302 123.193 122.820 0.119 0.000 1.892 20 A HA -0.272 nan 4.320 nan 0.000 0.218 20 A C 1.841 179.503 177.584 0.129 0.000 1.188 20 A CA 3.511 55.610 52.037 0.104 0.000 0.631 20 A CB -0.915 18.133 19.000 0.080 0.000 0.822 20 A HN -0.453 7.754 8.150 0.105 0.006 0.447 21 I N -3.893 116.786 120.570 0.181 0.000 2.394 21 I HA -0.356 nan 4.170 nan 0.000 0.251 21 I C 2.054 178.273 176.117 0.170 0.000 1.136 21 I CA 1.174 62.585 61.300 0.185 0.000 1.425 21 I CB -1.725 36.395 38.000 0.200 0.000 1.079 21 I HN -0.557 7.676 8.210 0.199 0.097 0.425 22 W N -0.094 121.188 121.300 -0.030 0.000 2.379 22 W HA -0.365 nan 4.660 nan 0.000 0.307 22 W C 2.267 178.751 176.519 -0.058 0.000 1.200 22 W CA 4.715 62.008 57.345 -0.087 0.000 1.297 22 W CB -0.860 28.484 29.460 -0.193 0.000 1.140 22 W HN -0.352 8.011 8.180 0.495 0.113 0.507 23 Q N -2.304 117.606 119.800 0.184 0.000 2.124 23 Q HA -0.439 nan 4.340 nan 0.000 0.202 23 Q C 2.453 178.490 176.000 0.061 0.000 0.977 23 Q CA 3.107 58.969 55.803 0.098 0.000 0.850 23 Q CB -0.850 27.933 28.738 0.076 0.000 0.901 23 Q HN 0.061 8.453 8.270 0.205 0.000 0.429 24 R N 0.642 121.183 120.500 0.068 0.000 2.075 24 R HA -0.245 nan 4.340 nan 0.000 0.232 24 R C 2.492 178.852 176.300 0.100 0.000 1.126 24 R CA 3.355 59.489 56.100 0.057 0.000 0.963 24 R CB -0.034 30.262 30.300 -0.005 0.000 0.858 24 R HN -0.576 7.745 8.270 0.085 0.000 0.435 25 I N -1.056 119.572 120.570 0.096 0.000 2.252 25 I HA -0.511 nan 4.170 nan 0.000 0.245 25 I C 1.997 178.039 176.117 -0.126 0.000 1.102 25 I CA 3.708 64.990 61.300 -0.030 0.000 1.385 25 I CB -0.300 37.579 38.000 -0.202 0.000 1.064 25 I HN -0.386 7.883 8.210 0.097 0.000 0.414 26 E N -0.432 119.710 120.200 -0.096 0.000 2.051 26 E HA -0.383 nan 4.350 nan 0.000 0.192 26 E C 2.666 179.208 176.600 -0.097 0.000 0.991 26 E CA 3.400 59.737 56.400 -0.105 0.000 0.799 26 E CB -0.390 29.305 29.700 -0.009 0.000 0.748 26 E HN 0.488 8.710 8.360 -0.048 0.110 0.449 27 G N -0.978 107.801 108.800 -0.035 0.000 2.514 27 G HA2 -0.455 nan 3.960 nan 0.000 0.217 27 G HA3 -0.455 nan 3.960 nan 0.000 0.217 27 G C 1.054 175.926 174.900 -0.047 0.000 1.198 27 G CA 2.500 47.587 45.100 -0.022 0.000 0.780 27 G HN 0.241 8.527 8.290 -0.008 0.000 0.565 28 T N 5.624 120.155 114.554 -0.038 0.000 2.685 28 T HA -0.410 nan 4.350 nan 0.000 0.268 28 T C 2.401 177.044 174.700 -0.095 0.000 1.034 28 T CA 4.955 67.035 62.100 -0.033 0.000 1.149 28 T CB -0.663 68.200 68.868 -0.007 0.000 0.860 28 T HN -0.601 7.630 8.240 -0.015 0.000 0.449 29 L N 0.132 121.213 121.223 -0.237 0.000 2.017 29 L HA -0.473 nan 4.340 nan 0.000 0.208 29 L C 1.789 178.532 176.870 -0.212 0.000 1.073 29 L CA 3.424 58.016 54.840 -0.412 0.000 0.745 29 L CB -0.570 41.087 42.059 -0.670 0.000 0.894 29 L HN -0.379 7.612 8.230 -0.229 0.101 0.432 30 K N -2.011 118.233 120.400 -0.260 0.000 2.147 30 K HA -0.425 nan 4.320 nan 0.000 0.205 30 K C 2.553 179.071 176.600 -0.137 0.000 1.049 30 K CA 3.543 59.638 56.287 -0.320 0.000 0.936 30 K CB -0.433 31.953 32.500 -0.190 0.000 0.722 30 K HN 0.264 8.312 8.250 -0.227 0.066 0.446 31 N N -0.035 118.636 118.700 -0.047 0.000 2.106 31 N HA -0.214 nan 4.740 nan 0.000 0.188 31 N C 1.917 177.455 175.510 0.046 0.000 1.029 31 N CA 3.427 56.484 53.050 0.012 0.000 0.848 31 N CB 0.318 38.818 38.487 0.021 0.000 1.007 31 N HN 0.124 8.359 8.380 -0.058 0.111 0.423 32 V N 0.541 120.507 119.914 0.087 0.000 2.515 32 V HA -0.314 nan 4.120 nan 0.000 0.250 32 V C 1.918 178.089 176.094 0.129 0.000 1.058 32 V CA 3.454 65.846 62.300 0.153 0.000 1.064 32 V CB -0.841 31.128 31.823 0.243 0.000 0.675 32 V HN -0.298 7.940 8.190 0.081 0.000 0.461 33 L N -2.448 118.777 121.223 0.005 0.000 2.056 33 L HA -0.236 nan 4.340 nan 0.000 0.207 33 L C 2.699 179.603 176.870 0.056 0.000 1.078 33 L CA 2.743 57.487 54.840 -0.160 0.000 0.749 33 L CB -0.239 41.522 42.059 -0.497 0.000 0.901 33 L HN -0.298 7.829 8.230 0.001 0.103 0.433 34 G N -1.701 107.140 108.800 0.067 0.000 2.440 34 G HA2 -0.393 nan 3.960 nan 0.000 0.218 34 G HA3 -0.393 nan 3.960 nan 0.000 0.218 34 G C 1.232 176.225 174.900 0.156 0.000 1.154 34 G CA 2.200 47.389 45.100 0.149 0.000 0.767 34 G HN 0.076 8.362 8.290 -0.008 0.000 0.552 35 S N 1.209 116.985 115.700 0.128 0.000 2.537 35 S HA -0.205 nan 4.470 nan 0.000 0.240 35 S C 0.225 174.816 174.600 -0.016 0.000 0.981 35 S CA 2.466 60.690 58.200 0.040 0.000 0.948 35 S CB -0.077 63.110 63.200 -0.022 0.000 0.759 35 S HN -0.209 8.095 8.310 0.126 0.082 0.531 36 Y N -0.740 119.598 120.300 0.064 0.000 2.467 36 Y HA 0.056 nan 4.550 nan 0.000 0.250 36 Y C -0.736 175.331 175.900 0.279 0.000 1.155 36 Y CA -0.361 57.829 58.100 0.150 0.000 1.249 36 Y CB 0.382 38.899 38.460 0.094 0.000 1.146 36 Y HN -0.582 7.722 8.280 0.375 0.201 0.524 37 G N -1.975 107.033 108.800 0.347 0.000 2.136 37 G HA2 -0.424 nan 3.960 nan 0.000 0.242 37 G HA3 -0.424 nan 3.960 nan 0.000 0.242 37 G C -0.286 174.763 174.900 0.247 0.000 0.989 37 G CA 0.240 45.483 45.100 0.238 0.000 0.682 37 G HN -0.367 7.925 8.290 0.293 0.175 0.522 38 Y N 0.322 120.745 120.300 0.203 0.000 2.319 38 Y HA -0.062 nan 4.550 nan 0.000 0.328 38 Y C -0.633 175.498 175.900 0.384 0.000 1.133 38 Y CA 0.483 58.745 58.100 0.271 0.000 1.265 38 Y CB 0.590 39.218 38.460 0.280 0.000 1.218 38 Y HN -0.970 7.671 8.280 0.664 0.038 0.508 39 S N 3.281 119.202 115.700 0.367 0.000 2.525 39 S HA 0.237 nan 4.470 nan 0.000 0.290 39 S C -1.561 172.972 174.600 -0.111 0.000 1.152 39 S CA -1.098 57.228 58.200 0.210 0.000 1.072 39 S CB 1.868 65.117 63.200 0.082 0.000 1.027 39 S HN 0.679 9.131 8.310 0.237 0.000 0.500 40 E N 4.348 124.293 120.200 -0.425 0.000 2.354 40 E HA 0.338 nan 4.350 nan 0.000 0.269 40 E C -1.451 174.853 176.600 -0.492 0.000 1.036 40 E CA -0.186 55.537 56.400 -1.128 0.000 0.876 40 E CB 1.156 30.168 29.700 -1.148 0.000 1.009 40 E HN 0.213 8.506 8.360 -0.112 0.000 0.416 41 I N 5.439 125.776 120.570 -0.389 0.000 2.608 41 I HA 0.231 nan 4.170 nan 0.000 0.295 41 I C -2.097 173.962 176.117 -0.096 0.000 1.049 41 I CA -1.977 59.239 61.300 -0.140 0.000 1.063 41 I CB 2.952 40.949 38.000 -0.005 0.000 1.248 41 I HN 0.441 8.352 8.210 -0.499 0.000 0.424 42 R N 6.259 126.717 120.500 -0.069 0.000 2.437 42 R HA 0.456 nan 4.340 nan 0.000 0.310 42 R C -1.131 175.155 176.300 -0.024 0.000 0.955 42 R CA -1.030 55.046 56.100 -0.041 0.000 0.851 42 R CB 1.092 31.367 30.300 -0.043 0.000 1.161 42 R HN 0.166 8.393 8.270 -0.071 0.000 0.446 43 L N 3.841 125.046 121.223 -0.031 0.000 2.354 43 L HA 0.619 nan 4.340 nan 0.000 0.269 43 L C -1.350 175.516 176.870 -0.008 0.000 1.005 43 L CA -3.194 51.629 54.840 -0.028 0.000 0.819 43 L CB 1.097 43.110 42.059 -0.076 0.000 1.311 43 L HN 0.287 8.495 8.230 -0.037 0.000 0.423 44 P HA 0.003 nan 4.420 nan 0.000 0.266 44 P C -0.202 177.124 177.300 0.044 0.000 1.195 44 P CA 0.195 63.311 63.100 0.026 0.000 0.768 44 P CB 0.638 32.351 31.700 0.023 0.000 0.838 45 I N 0.085 120.688 120.570 0.055 0.000 2.617 45 I HA -0.135 nan 4.170 nan 0.000 0.256 45 I C -0.466 175.702 176.117 0.085 0.000 1.167 45 I CA 1.807 63.153 61.300 0.078 0.000 1.469 45 I CB 0.094 38.136 38.000 0.069 0.000 1.098 45 I HN -0.250 7.987 8.210 0.046 0.000 0.436 46 V N -6.833 113.127 119.914 0.076 0.000 2.628 46 V HA 0.562 nan 4.120 nan 0.000 0.306 46 V C -1.413 174.737 176.094 0.093 0.000 1.045 46 V CA -1.924 60.436 62.300 0.100 0.000 0.905 46 V CB 2.441 34.315 31.823 0.084 0.000 0.997 46 V HN -0.675 7.523 8.190 0.058 0.028 0.436 47 E N 2.965 123.246 120.200 0.135 0.000 2.429 47 E HA 0.322 nan 4.350 nan 0.000 0.276 47 E C -1.544 175.033 176.600 -0.039 0.000 0.953 47 E CA -2.296 54.102 56.400 -0.003 0.000 0.787 47 E CB 4.545 34.148 29.700 -0.161 0.000 1.307 47 E HN 0.535 9.041 8.360 0.244 0.000 0.458 48 Q N 1.098 120.823 119.800 -0.125 0.000 2.286 48 Q HA -0.127 nan 4.340 nan 0.000 0.290 48 Q C 1.622 177.559 176.000 -0.105 0.000 1.049 48 Q CA 1.409 57.143 55.803 -0.116 0.000 0.923 48 Q CB -0.292 28.372 28.738 -0.124 0.000 1.183 48 Q HN 0.482 8.665 8.270 -0.144 0.000 0.383 49 T N 6.525 121.067 114.554 -0.019 0.000 2.778 49 T HA -0.209 nan 4.350 nan 0.000 0.269 49 T C -0.042 174.684 174.700 0.043 0.000 1.050 49 T CA 5.940 68.092 62.100 0.088 0.000 1.137 49 T CB -2.069 66.832 68.868 0.056 0.000 0.860 49 T HN 0.354 8.564 8.240 -0.050 0.000 0.468 50 P HA -0.068 nan 4.420 nan 0.000 0.222 50 P C 0.969 178.222 177.300 -0.078 0.000 1.147 50 P CA 2.080 65.158 63.100 -0.037 0.000 0.790 50 P CB -0.662 31.009 31.700 -0.048 0.000 0.780 51 L N -0.636 120.466 121.223 -0.201 0.000 2.027 51 L HA -0.275 nan 4.340 nan 0.000 0.206 51 L C 1.469 178.193 176.870 -0.244 0.000 1.074 51 L CA 3.808 58.465 54.840 -0.305 0.000 0.745 51 L CB -0.345 41.380 42.059 -0.558 0.000 0.898 51 L HN -0.126 7.921 8.230 -0.235 0.043 0.433 52 F N -2.532 117.433 119.950 0.025 0.000 2.186 52 F HA -0.404 nan 4.527 nan 0.000 0.299 52 F C 2.400 178.228 175.800 0.047 0.000 1.090 52 F CA 3.490 61.519 58.000 0.048 0.000 1.307 52 F CB -0.926 38.107 39.000 0.055 0.000 1.019 52 F HN -0.815 7.200 8.300 -0.474 0.000 0.489 53 K N -0.713 119.796 120.400 0.183 0.000 2.026 53 K HA -0.355 nan 4.320 nan 0.000 0.208 53 K C 2.665 179.313 176.600 0.080 0.000 1.048 53 K CA 3.495 59.850 56.287 0.113 0.000 0.929 53 K CB -0.301 32.242 32.500 0.072 0.000 0.713 53 K HN -0.299 8.039 8.250 0.158 0.007 0.439 54 R N -1.782 118.746 120.500 0.046 0.000 2.070 54 R HA -0.278 nan 4.340 nan 0.000 0.233 54 R C 1.891 178.229 176.300 0.063 0.000 1.137 54 R CA 2.579 58.699 56.100 0.034 0.000 0.945 54 R CB -0.056 30.242 30.300 -0.002 0.000 0.845 54 R HN 0.064 8.225 8.270 0.023 0.123 0.430 55 A N -2.018 120.848 122.820 0.077 0.000 1.855 55 A HA -0.087 nan 4.320 nan 0.000 0.215 55 A C 1.592 179.322 177.584 0.244 0.000 1.191 55 A CA 2.048 54.169 52.037 0.139 0.000 0.613 55 A CB 0.337 19.399 19.000 0.103 0.000 0.829 55 A HN 0.133 8.198 8.150 0.048 0.114 0.442 56 I N -5.488 115.215 120.570 0.222 0.000 2.761 56 I HA -0.163 nan 4.170 nan 0.000 0.261 56 I C -0.268 175.880 176.117 0.052 0.000 1.198 56 I CA 1.090 62.473 61.300 0.139 0.000 1.482 56 I CB 0.337 38.431 38.000 0.155 0.000 1.100 56 I HN -0.427 7.812 8.210 0.222 0.104 0.445 57 G N -2.599 106.246 108.800 0.074 0.000 2.911 57 G HA2 -0.274 nan 3.960 nan 0.000 0.686 57 G HA3 -0.274 nan 3.960 nan 0.000 0.686 57 G C 0.020 174.948 174.900 0.047 0.000 1.136 57 G CA -0.670 44.459 45.100 0.049 0.000 0.764 57 G HN -0.819 7.499 8.290 0.099 0.032 0.626 58 E N 2.638 122.862 120.200 0.041 0.000 2.072 58 E HA -0.187 nan 4.350 nan 0.000 0.191 58 E C 0.795 177.412 176.600 0.028 0.000 0.985 58 E CA 2.538 58.959 56.400 0.036 0.000 0.801 58 E CB 0.102 29.820 29.700 0.029 0.000 0.750 58 E HN 0.356 8.739 8.360 0.038 0.000 0.452 59 V N -1.583 118.345 119.914 0.023 0.000 2.847 59 V HA 0.170 nan 4.120 nan 0.000 0.364 59 V C -1.564 174.540 176.094 0.016 0.000 1.374 59 V CA -1.061 61.250 62.300 0.018 0.000 1.542 59 V CB -1.290 30.541 31.823 0.015 0.000 1.471 59 V HN -0.056 8.148 8.190 0.024 0.000 0.557 60 T N 2.352 116.917 114.554 0.019 0.000 2.908 60 T HA 0.347 nan 4.350 nan 0.000 0.290 60 T C 0.150 174.861 174.700 0.018 0.000 1.034 60 T CA -1.623 60.487 62.100 0.015 0.000 1.010 60 T CB 2.525 71.401 68.868 0.013 0.000 1.068 60 T HN -0.646 7.529 8.240 0.024 0.080 0.481 61 D N 5.008 125.417 120.400 0.014 0.000 2.149 61 D HA -0.181 nan 4.640 nan 0.000 0.198 61 D C 1.913 178.227 176.300 0.023 0.000 0.990 61 D CA 3.460 57.468 54.000 0.015 0.000 0.839 61 D CB -0.254 40.552 40.800 0.010 0.000 0.948 61 D HN 0.595 8.972 8.370 0.011 0.000 0.460 62 V N 0.065 119.997 119.914 0.030 0.000 2.237 62 V HA -0.349 nan 4.120 nan 0.000 0.245 62 V C 1.957 178.076 176.094 0.042 0.000 1.046 62 V CA 3.814 66.139 62.300 0.043 0.000 1.007 62 V CB -0.674 31.180 31.823 0.053 0.000 0.638 62 V HN -0.553 7.637 8.190 0.027 0.017 0.445 63 V N -1.269 118.673 119.914 0.047 0.000 2.358 63 V HA -0.387 nan 4.120 nan 0.000 0.246 63 V C 2.205 178.318 176.094 0.033 0.000 1.047 63 V CA 3.472 65.804 62.300 0.053 0.000 1.035 63 V CB -0.945 30.919 31.823 0.068 0.000 0.658 63 V HN -0.021 8.197 8.190 0.047 0.000 0.452 64 E N -2.118 118.096 120.200 0.023 0.000 2.038 64 E HA -0.213 nan 4.350 nan 0.000 0.195 64 E C 1.309 177.907 176.600 -0.003 0.000 1.000 64 E CA 2.583 58.989 56.400 0.010 0.000 0.803 64 E CB 0.547 30.252 29.700 0.008 0.000 0.750 64 E HN -0.093 8.283 8.360 0.026 0.000 0.448 65 K N -6.303 114.096 120.400 -0.001 0.000 2.562 65 K HA 0.192 nan 4.320 nan 0.000 0.201 65 K C -0.220 176.373 176.600 -0.012 0.000 1.131 65 K CA -0.107 56.168 56.287 -0.020 0.000 1.059 65 K CB 0.379 32.868 32.500 -0.018 0.000 0.913 65 K HN -0.340 7.916 8.250 0.010 0.000 0.563 66 E N -0.405 119.808 120.200 0.022 0.000 2.453 66 E HA 0.147 nan 4.350 nan 0.000 0.211 66 E C -0.370 176.290 176.600 0.100 0.000 0.897 66 E CA -0.034 56.411 56.400 0.075 0.000 1.063 66 E CB 1.953 31.712 29.700 0.098 0.000 1.080 66 E HN -0.026 8.348 8.360 0.023 0.000 0.512 67 M N 0.035 119.671 119.600 0.060 0.000 2.248 67 M HA -0.103 nan 4.480 nan 0.000 0.337 67 M C 0.238 176.601 176.300 0.104 0.000 1.121 67 M CA 1.314 56.668 55.300 0.091 0.000 1.155 67 M CB 0.581 33.203 32.600 0.037 0.000 1.514 67 M HN -0.801 7.509 8.290 0.034 0.000 0.452 68 Y N 3.749 124.115 120.300 0.110 0.000 2.880 68 Y HA 0.198 nan 4.550 nan 0.000 0.329 68 Y C -1.188 174.824 175.900 0.187 0.000 1.156 68 Y CA -0.673 57.520 58.100 0.155 0.000 1.348 68 Y CB -1.292 37.264 38.460 0.160 0.000 1.280 68 Y HN 0.629 9.147 8.280 0.397 0.000 0.516 69 T N 5.374 120.074 114.554 0.243 0.000 2.902 69 T HA 0.607 nan 4.350 nan 0.000 0.280 69 T C -1.336 173.552 174.700 0.314 0.000 0.992 69 T CA -0.202 62.003 62.100 0.176 0.000 1.015 69 T CB 1.232 70.142 68.868 0.070 0.000 1.044 69 T HN -0.005 8.318 8.240 0.139 0.000 0.520 70 F N -2.117 117.864 119.950 0.051 0.000 2.878 70 F HA 0.332 nan 4.527 nan 0.000 0.322 70 F C -2.938 172.879 175.800 0.028 0.000 1.154 70 F CA -1.399 56.623 58.000 0.035 0.000 0.896 70 F CB 1.313 40.336 39.000 0.038 0.000 1.313 70 F HN 0.516 8.655 8.300 -0.268 0.000 0.451 71 E N -0.194 120.114 120.200 0.180 0.000 2.231 71 E HA 0.339 nan 4.350 nan 0.000 0.277 71 E C -1.110 175.569 176.600 0.132 0.000 0.999 71 E CA -1.126 55.303 56.400 0.049 0.000 0.827 71 E CB 1.407 31.145 29.700 0.063 0.000 1.101 71 E HN 0.030 8.587 8.360 0.328 0.000 0.393 72 D N 2.202 122.613 120.400 0.018 0.000 2.387 72 D HA 0.171 nan 4.640 nan 0.000 0.251 72 D C 1.546 177.883 176.300 0.061 0.000 1.141 72 D CA -1.054 52.987 54.000 0.069 0.000 0.987 72 D CB 2.120 42.923 40.800 0.005 0.000 1.116 72 D HN 0.670 8.901 8.370 -0.049 0.109 0.491 73 R N 2.106 122.643 120.500 0.062 0.000 2.170 73 R HA -0.224 nan 4.340 nan 0.000 0.242 73 R C 0.557 176.871 176.300 0.024 0.000 1.145 73 R CA 2.720 58.846 56.100 0.042 0.000 0.984 73 R CB -0.206 30.116 30.300 0.036 0.000 0.869 73 R HN 0.519 8.833 8.270 0.074 0.000 0.455 74 N N -2.870 115.839 118.700 0.015 0.000 2.314 74 N HA -0.006 nan 4.740 nan 0.000 0.200 74 N C 0.535 176.044 175.510 -0.002 0.000 1.135 74 N CA -0.189 52.864 53.050 0.005 0.000 0.835 74 N CB 0.228 38.715 38.487 -0.001 0.000 0.989 74 N HN -0.480 7.877 8.380 0.017 0.033 0.478 75 G N -1.081 107.720 108.800 0.001 0.000 2.268 75 G HA2 -0.433 nan 3.960 nan 0.000 0.240 75 G HA3 -0.433 nan 3.960 nan 0.000 0.240 75 G C -1.029 173.858 174.900 -0.021 0.000 1.010 75 G CA 0.368 45.465 45.100 -0.005 0.000 0.618 75 G HN 0.140 8.262 8.290 0.011 0.174 0.516 76 D N 0.746 121.126 120.400 -0.032 0.000 2.472 76 D HA -0.137 nan 4.640 nan 0.000 0.237 76 D C -1.080 175.164 176.300 -0.094 0.000 1.141 76 D CA 1.297 55.263 54.000 -0.057 0.000 0.875 76 D CB 0.501 41.264 40.800 -0.061 0.000 1.192 76 D HN -0.349 7.920 8.370 -0.025 0.086 0.450 77 S N 1.645 117.283 115.700 -0.103 0.000 2.452 77 S HA 0.672 nan 4.470 nan 0.000 0.284 77 S C -0.803 173.669 174.600 -0.214 0.000 1.171 77 S CA -0.076 58.037 58.200 -0.144 0.000 1.064 77 S CB 0.451 63.603 63.200 -0.080 0.000 0.967 77 S HN 0.226 8.489 8.310 -0.079 0.000 0.484 78 L N 8.497 129.461 121.223 -0.432 0.000 2.346 78 L HA 0.650 nan 4.340 nan 0.000 0.276 78 L C -1.862 174.734 176.870 -0.457 0.000 1.006 78 L CA -0.771 53.760 54.840 -0.515 0.000 0.817 78 L CB 2.839 44.364 42.059 -0.891 0.000 1.272 78 L HN 0.869 8.762 8.230 -0.562 0.000 0.421 79 T N 5.149 119.656 114.554 -0.078 0.000 2.841 79 T HA 0.441 nan 4.350 nan 0.000 0.285 79 T C -1.117 173.689 174.700 0.178 0.000 0.991 79 T CA -0.484 61.685 62.100 0.115 0.000 0.966 79 T CB 1.806 70.844 68.868 0.282 0.000 0.962 79 T HN 0.802 9.046 8.240 0.008 0.000 0.438 80 L N 6.429 127.728 121.223 0.126 0.000 2.462 80 L HA 0.149 nan 4.340 nan 0.000 0.272 80 L C -0.453 176.407 176.870 -0.018 0.000 1.166 80 L CA 0.129 54.965 54.840 -0.006 0.000 0.880 80 L CB 0.027 41.915 42.059 -0.285 0.000 1.142 80 L HN 0.022 8.372 8.230 0.200 0.000 0.473 81 R N 4.273 124.790 120.500 0.027 0.000 2.585 81 R HA -0.021 nan 4.340 nan 0.000 0.275 81 R C -1.180 175.040 176.300 -0.133 0.000 1.018 81 R CA 0.079 56.070 56.100 -0.182 0.000 1.072 81 R CB -0.706 29.678 30.300 0.140 0.000 0.953 81 R HN 0.218 8.560 8.270 0.119 0.000 0.419 82 P HA 0.127 nan 4.420 nan 0.000 0.259 82 P C -1.403 175.966 177.300 0.115 0.000 1.233 82 P CA 1.316 64.414 63.100 -0.003 0.000 0.827 82 P CB 0.467 32.128 31.700 -0.065 0.000 1.154 83 E N -3.384 116.851 120.200 0.058 0.000 2.425 83 E HA 0.261 nan 4.350 nan 0.000 0.272 83 E C -1.333 175.349 176.600 0.137 0.000 1.061 83 E CA -0.861 55.637 56.400 0.163 0.000 0.877 83 E CB 2.194 32.039 29.700 0.243 0.000 1.590 83 E HN -0.827 7.456 8.360 -0.048 0.047 0.462 84 G N -3.918 104.963 108.800 0.135 0.000 2.833 84 G HA2 0.430 nan 3.960 nan 0.000 0.214 84 G HA3 0.430 nan 3.960 nan 0.000 0.214 84 G C 0.224 175.109 174.900 -0.024 0.000 1.075 84 G CA 0.663 45.720 45.100 -0.071 0.000 0.799 84 G HN 0.633 9.059 8.290 0.227 0.000 0.541 85 T N 5.780 120.403 114.554 0.115 0.000 2.759 85 T HA -0.340 nan 4.350 nan 0.000 0.269 85 T C 1.573 176.246 174.700 -0.045 0.000 1.042 85 T CA 4.937 67.041 62.100 0.008 0.000 1.140 85 T CB -0.555 68.150 68.868 -0.273 0.000 0.864 85 T HN -0.590 7.917 8.240 0.182 -0.158 0.455 86 A N 0.592 123.413 122.820 0.002 0.000 1.873 86 A HA -0.220 nan 4.320 nan 0.000 0.215 86 A C 1.643 179.199 177.584 -0.046 0.000 1.186 86 A CA 3.335 55.359 52.037 -0.022 0.000 0.616 86 A CB -0.920 18.117 19.000 0.063 0.000 0.823 86 A HN 0.083 8.573 8.150 0.097 -0.281 0.442 87 G N -2.682 106.111 108.800 -0.011 0.000 2.422 87 G HA2 -0.396 nan 3.960 nan 0.000 0.218 87 G HA3 -0.396 nan 3.960 nan 0.000 0.218 87 G C 0.642 175.528 174.900 -0.024 0.000 1.146 87 G CA 1.888 46.962 45.100 -0.043 0.000 0.769 87 G HN -0.040 8.290 8.290 0.067 0.000 0.547 88 C N 2.306 121.613 119.300 0.011 0.000 2.436 88 C HA -0.239 nan 4.460 nan 0.000 0.277 88 C C 2.051 177.114 174.990 0.122 0.000 1.241 88 C CA 3.741 62.825 59.018 0.110 0.000 1.721 88 C CB -1.359 26.547 27.740 0.277 0.000 2.043 88 C HN -0.095 8.049 8.230 -0.006 0.083 0.472 89 V N 1.586 121.589 119.914 0.149 0.000 2.332 89 V HA -0.490 nan 4.120 nan 0.000 0.248 89 V C 1.962 178.038 176.094 -0.030 0.000 1.055 89 V CA 4.503 66.861 62.300 0.097 0.000 1.038 89 V CB -1.053 30.851 31.823 0.135 0.000 0.651 89 V HN 0.253 8.527 8.190 0.140 0.000 0.450 90 R N -0.434 120.040 120.500 -0.043 0.000 2.073 90 R HA -0.398 nan 4.340 nan 0.000 0.234 90 R C 1.862 178.108 176.300 -0.090 0.000 1.134 90 R CA 3.627 59.676 56.100 -0.085 0.000 0.952 90 R CB -0.221 30.012 30.300 -0.113 0.000 0.850 90 R HN 0.181 8.423 8.270 -0.033 0.008 0.433 91 A N -2.872 119.920 122.820 -0.048 0.000 1.972 91 A HA -0.176 nan 4.320 nan 0.000 0.219 91 A C 2.187 179.784 177.584 0.022 0.000 1.169 91 A CA 2.734 54.773 52.037 0.004 0.000 0.635 91 A CB -0.800 18.246 19.000 0.077 0.000 0.810 91 A HN 0.277 8.409 8.150 -0.031 0.000 0.446 92 G N -1.567 107.200 108.800 -0.055 0.000 2.394 92 G HA2 -0.269 nan 3.960 nan 0.000 0.215 92 G HA3 -0.269 nan 3.960 nan 0.000 0.215 92 G C 1.161 175.984 174.900 -0.128 0.000 1.165 92 G CA 1.646 46.667 45.100 -0.132 0.000 0.784 92 G HN -0.280 7.860 8.290 -0.064 0.112 0.535 93 I N 1.718 122.206 120.570 -0.136 0.000 2.202 93 I HA -0.494 nan 4.170 nan 0.000 0.242 93 I C 2.101 178.140 176.117 -0.130 0.000 1.091 93 I CA 3.944 65.172 61.300 -0.119 0.000 1.368 93 I CB -0.054 37.882 38.000 -0.107 0.000 1.058 93 I HN 0.059 8.189 8.210 -0.134 0.000 0.410 94 E N 0.480 120.570 120.200 -0.184 0.000 2.209 94 E HA -0.324 nan 4.350 nan 0.000 0.196 94 E C 1.226 177.597 176.600 -0.382 0.000 0.993 94 E CA 2.690 58.908 56.400 -0.304 0.000 0.819 94 E CB 0.028 29.479 29.700 -0.416 0.000 0.745 94 E HN -0.143 8.115 8.360 -0.169 0.000 0.477 95 H N -4.673 114.361 119.070 -0.060 0.000 2.672 95 H HA 0.210 nan 4.556 nan 0.000 0.277 95 H C -0.357 174.945 175.328 -0.043 0.000 1.074 95 H CA -0.591 55.429 56.048 -0.048 0.000 1.173 95 H CB 0.087 29.822 29.762 -0.045 0.000 1.558 95 H HN -0.686 7.514 8.280 -0.081 0.031 0.539 96 G N 0.511 109.327 108.800 0.027 0.000 2.314 96 G HA2 -0.384 nan 3.960 nan 0.000 0.292 96 G HA3 -0.384 nan 3.960 nan 0.000 0.292 96 G C -0.278 174.638 174.900 0.027 0.000 1.059 96 G CA 0.912 46.024 45.100 0.020 0.000 0.982 96 G HN -0.242 7.849 8.290 -0.026 0.183 0.505 97 L N -3.010 118.210 121.223 -0.005 0.000 2.585 97 L HA 0.019 nan 4.340 nan 0.000 0.226 97 L C 0.519 177.347 176.870 -0.070 0.000 1.113 97 L CA 0.584 55.406 54.840 -0.031 0.000 0.876 97 L CB 0.497 42.527 42.059 -0.048 0.000 1.072 97 L HN 0.192 8.409 8.230 -0.021 0.000 0.468 98 L N -3.982 117.194 121.223 -0.078 0.000 2.609 98 L HA 0.077 nan 4.340 nan 0.000 0.230 98 L C -0.308 176.591 176.870 0.049 0.000 1.064 98 L CA 0.203 54.988 54.840 -0.091 0.000 0.873 98 L CB 0.986 42.899 42.059 -0.242 0.000 1.139 98 L HN -0.793 7.355 8.230 -0.054 0.050 0.490 99 Y N 0.939 121.203 120.300 -0.060 0.000 2.745 99 Y HA -0.332 nan 4.550 nan 0.000 0.335 99 Y C -0.312 175.578 175.900 -0.018 0.000 1.212 99 Y CA 1.451 59.532 58.100 -0.032 0.000 1.535 99 Y CB -0.483 37.959 38.460 -0.028 0.000 1.220 99 Y HN -0.333 8.043 8.280 0.160 0.000 0.531 100 N N 4.162 122.672 118.700 -0.317 0.000 2.708 100 N HA -0.270 nan 4.740 nan 0.000 0.249 100 N C -1.597 173.822 175.510 -0.152 0.000 1.097 100 N CA 1.459 54.303 53.050 -0.344 0.000 0.710 100 N CB -0.786 37.344 38.487 -0.595 0.000 1.032 100 N HN 0.330 8.605 8.380 -0.175 0.000 0.551 101 Q N -3.137 116.624 119.800 -0.064 0.000 2.484 101 Q HA 0.244 nan 4.340 nan 0.000 0.285 101 Q C -2.460 173.547 176.000 0.011 0.000 1.097 101 Q CA -1.730 54.057 55.803 -0.026 0.000 0.802 101 Q CB 4.083 32.813 28.738 -0.014 0.000 1.444 101 Q HN -0.771 7.459 8.270 -0.038 0.018 0.429 102 E N 0.228 120.437 120.200 0.016 0.000 2.212 102 E HA 0.270 nan 4.350 nan 0.000 0.268 102 E C -1.556 175.072 176.600 0.047 0.000 0.902 102 E CA -1.062 55.361 56.400 0.039 0.000 0.779 102 E CB 1.381 31.087 29.700 0.010 0.000 1.172 102 E HN 0.114 8.476 8.360 0.002 0.000 0.409 103 Q N 3.540 123.398 119.800 0.097 0.000 2.379 103 Q HA 0.344 nan 4.340 nan 0.000 0.278 103 Q C -1.964 174.061 176.000 0.043 0.000 1.068 103 Q CA -1.430 54.431 55.803 0.098 0.000 0.816 103 Q CB 4.513 33.366 28.738 0.190 0.000 1.387 103 Q HN 0.000 8.353 8.270 0.138 0.000 0.413 104 R N 2.011 122.470 120.500 -0.070 0.000 2.607 104 R HA 0.551 nan 4.340 nan 0.000 0.278 104 R C -1.497 174.756 176.300 -0.079 0.000 1.637 104 R CA -0.244 55.662 56.100 -0.324 0.000 1.325 104 R CB 0.609 30.415 30.300 -0.823 0.000 1.211 104 R HN 0.454 8.701 8.270 -0.037 0.000 0.565 105 L N 1.929 123.245 121.223 0.155 0.000 2.332 105 L HA 0.838 nan 4.340 nan 0.000 0.269 105 L C -1.324 175.762 176.870 0.360 0.000 1.016 105 L CA -1.678 53.307 54.840 0.241 0.000 0.809 105 L CB 2.734 44.928 42.059 0.225 0.000 1.280 105 L HN 0.616 8.940 8.230 0.157 0.000 0.447 106 W N -2.519 118.854 121.300 0.122 0.000 3.118 106 W HA 0.772 nan 4.660 nan 0.000 0.328 106 W C -3.180 173.355 176.519 0.027 0.000 1.239 106 W CA -1.329 55.984 57.345 -0.053 0.000 1.176 106 W CB 2.933 32.395 29.460 0.004 0.000 1.433 106 W HN 0.531 8.697 8.180 -0.024 0.000 0.562 107 Y N -5.770 114.742 120.300 0.352 0.000 2.624 107 Y HA 0.545 nan 4.550 nan 0.000 0.334 107 Y C -3.059 173.044 175.900 0.339 0.000 1.155 107 Y CA -1.543 56.630 58.100 0.121 0.000 1.046 107 Y CB 2.128 40.617 38.460 0.048 0.000 1.316 107 Y HN 0.477 8.697 8.280 -0.100 0.000 0.457 108 I N 0.583 121.463 120.570 0.517 0.000 2.619 108 I HA 0.719 nan 4.170 nan 0.000 0.292 108 I C -1.551 174.752 176.117 0.310 0.000 1.100 108 I CA -1.870 59.693 61.300 0.439 0.000 1.043 108 I CB 3.305 41.570 38.000 0.442 0.000 1.239 108 I HN 0.405 8.828 8.210 0.355 0.000 0.420 109 G N 5.697 114.660 108.800 0.272 0.000 2.325 109 G HA2 0.254 nan 3.960 nan 0.000 0.295 109 G HA3 0.254 nan 3.960 nan 0.000 0.295 109 G C -4.267 170.714 174.900 0.135 0.000 1.274 109 G CA 0.410 45.628 45.100 0.196 0.000 0.857 109 G HN 0.269 8.736 8.290 0.296 0.000 0.499 110 P HA 0.813 nan 4.420 nan 0.000 0.285 110 P C -1.908 175.118 177.300 -0.457 0.000 1.269 110 P CA -0.765 62.123 63.100 -0.354 0.000 0.844 110 P CB 1.042 32.568 31.700 -0.291 0.000 1.094 111 M N -1.191 117.829 119.600 -0.966 0.000 2.446 111 M HA 0.729 nan 4.480 nan 0.000 0.294 111 M C -1.697 174.044 176.300 -0.932 0.000 1.158 111 M CA -1.195 53.612 55.300 -0.822 0.000 0.899 111 M CB 4.763 36.635 32.600 -1.213 0.000 1.687 111 M HN 0.656 8.162 8.290 -1.307 0.000 0.455 112 F N 2.035 121.882 119.950 -0.171 0.000 2.467 112 F HA 0.639 nan 4.527 nan 0.000 0.336 112 F C -0.777 175.198 175.800 0.292 0.000 1.123 112 F CA -1.163 56.855 58.000 0.030 0.000 0.964 112 F CB 1.754 40.666 39.000 -0.146 0.000 1.136 112 F HN 0.917 9.217 8.300 0.194 0.117 0.447 113 R N 1.917 122.748 120.500 0.552 0.000 2.574 113 R HA 0.267 nan 4.340 nan 0.000 0.288 113 R C -1.468 175.100 176.300 0.448 0.000 1.004 113 R CA -1.452 54.928 56.100 0.466 0.000 0.895 113 R CB 4.005 34.490 30.300 0.309 0.000 1.191 113 R HN 0.678 9.132 8.270 0.487 0.108 0.444 114 H N 5.593 124.824 119.070 0.268 0.000 3.014 114 H HA -0.032 nan 4.556 nan 0.000 0.266 114 H C -1.271 174.084 175.328 0.046 0.000 1.455 114 H CA 0.250 56.353 56.048 0.091 0.000 1.402 114 H CB -0.325 29.283 29.762 -0.257 0.000 1.626 114 H HN 0.633 8.998 8.280 0.354 0.128 0.520 115 E N 3.307 123.531 120.200 0.041 0.000 2.378 115 E HA 0.262 nan 4.350 nan 0.000 0.265 115 E C -1.924 174.663 176.600 -0.022 0.000 0.932 115 E CA -2.375 54.038 56.400 0.022 0.000 0.795 115 E CB 4.285 33.973 29.700 -0.020 0.000 1.296 115 E HN -0.617 7.749 8.360 0.011 0.000 0.438 116 R N 2.184 122.674 120.500 -0.017 0.000 2.316 116 R HA 0.194 nan 4.340 nan 0.000 0.314 116 R C -1.856 174.408 176.300 -0.060 0.000 1.069 116 R CA -2.184 53.900 56.100 -0.027 0.000 0.959 116 R CB 0.452 30.743 30.300 -0.016 0.000 0.987 116 R HN 0.413 8.677 8.270 -0.010 0.000 0.446 117 P HA -0.123 nan 4.420 nan 0.000 0.264 117 P C -1.291 175.941 177.300 -0.113 0.000 1.193 117 P CA 0.191 63.237 63.100 -0.091 0.000 0.763 117 P CB 0.344 32.031 31.700 -0.022 0.000 0.810 118 Q N 1.698 121.379 119.800 -0.199 0.000 3.022 118 Q HA 0.168 nan 4.340 nan 0.000 0.313 118 Q C 1.495 177.352 176.000 -0.239 0.000 1.018 118 Q CA -1.704 54.000 55.803 -0.165 0.000 0.799 118 Q CB 2.317 30.971 28.738 -0.140 0.000 1.498 118 Q HN -0.226 7.862 8.270 -0.303 0.000 0.494 119 K N 1.369 121.680 120.400 -0.149 0.000 2.059 119 K HA -0.249 nan 4.320 nan 0.000 0.212 119 K C 0.628 177.111 176.600 -0.195 0.000 1.050 119 K CA 2.130 58.353 56.287 -0.107 0.000 0.927 119 K CB -0.320 32.153 32.500 -0.046 0.000 0.714 119 K HN 0.298 8.485 8.250 -0.105 0.000 0.447 120 G N -4.641 104.015 108.800 -0.241 0.000 3.324 120 G HA2 0.279 nan 3.960 nan 0.000 0.251 120 G HA3 0.279 nan 3.960 nan 0.000 0.251 120 G C -1.406 173.234 174.900 -0.432 0.000 1.072 120 G CA -0.387 44.567 45.100 -0.244 0.000 0.787 120 G HN -0.276 8.151 8.290 -0.194 -0.253 0.537 121 R N 1.121 121.253 120.500 -0.613 0.000 2.445 121 R HA 0.420 nan 4.340 nan 0.000 0.308 121 R C -1.611 174.288 176.300 -0.668 0.000 0.961 121 R CA -0.828 54.970 56.100 -0.504 0.000 0.862 121 R CB 2.318 32.443 30.300 -0.292 0.000 1.144 121 R HN -0.707 7.089 8.270 -0.587 0.122 0.447 122 Y N 1.448 121.722 120.300 -0.043 0.000 2.665 122 Y HA 0.436 nan 4.550 nan 0.000 0.336 122 Y C -0.213 175.708 175.900 0.035 0.000 1.085 122 Y CA -1.208 56.904 58.100 0.020 0.000 1.096 122 Y CB 3.270 41.779 38.460 0.082 0.000 1.301 122 Y HN 0.081 8.290 8.280 -0.118 0.000 0.493 123 R N -2.330 118.305 120.500 0.225 0.000 2.140 123 R HA 0.051 nan 4.340 nan 0.000 0.213 123 R C -0.597 175.804 176.300 0.167 0.000 1.059 123 R CA 2.012 58.231 56.100 0.198 0.000 1.000 123 R CB 1.271 31.664 30.300 0.155 0.000 0.910 123 R HN 0.827 9.114 8.270 0.237 0.125 0.455 124 Q N -0.466 119.357 119.800 0.039 0.000 2.381 124 Q HA 0.466 nan 4.340 nan 0.000 0.263 124 Q C -1.580 174.304 176.000 -0.193 0.000 1.030 124 Q CA -1.027 54.560 55.803 -0.360 0.000 0.772 124 Q CB 2.023 30.525 28.738 -0.393 0.000 1.232 124 Q HN -0.822 7.513 8.270 0.108 0.000 0.476 125 F N 3.126 122.799 119.950 -0.462 0.000 2.618 125 F HA 0.664 nan 4.527 nan 0.000 0.332 125 F C -2.286 173.181 175.800 -0.555 0.000 1.061 125 F CA -3.190 54.638 58.000 -0.287 0.000 0.974 125 F CB 2.498 41.526 39.000 0.046 0.000 1.310 125 F HN 0.450 8.446 8.300 -0.507 0.000 0.491 126 H N -1.514 117.626 119.070 0.117 0.000 2.538 126 H HA 0.574 nan 4.556 nan 0.000 0.353 126 H C -1.139 174.285 175.328 0.159 0.000 1.109 126 H CA -1.138 54.934 56.048 0.040 0.000 1.192 126 H CB 2.446 32.301 29.762 0.156 0.000 1.555 126 H HN -0.140 8.789 8.280 0.393 -0.413 0.518 127 Q N 1.063 120.988 119.800 0.210 0.000 2.387 127 Q HA 0.763 nan 4.340 nan 0.000 0.273 127 Q C -2.380 173.799 176.000 0.299 0.000 1.089 127 Q CA -1.697 54.275 55.803 0.282 0.000 0.824 127 Q CB 4.186 33.103 28.738 0.299 0.000 1.367 127 Q HN 0.708 9.056 8.270 0.131 0.000 0.443 128 L N 2.185 123.559 121.223 0.253 0.000 2.343 128 L HA 0.739 nan 4.340 nan 0.000 0.278 128 L C -1.874 175.078 176.870 0.137 0.000 0.996 128 L CA -1.937 53.021 54.840 0.197 0.000 0.831 128 L CB 2.033 44.125 42.059 0.056 0.000 1.232 128 L HN 0.153 8.535 8.230 0.253 0.000 0.413 129 G N 4.382 113.097 108.800 -0.143 0.000 2.600 129 G HA2 0.609 nan 3.960 nan 0.000 0.303 129 G HA3 0.609 nan 3.960 nan 0.000 0.303 129 G C -2.645 171.831 174.900 -0.707 0.000 1.253 129 G CA -1.256 43.560 45.100 -0.474 0.000 0.974 129 G HN 0.856 9.031 8.290 -0.192 0.000 0.483 130 C N -0.233 118.626 119.300 -0.735 0.000 2.609 130 C HA 0.678 nan 4.460 nan 0.000 0.313 130 C C -1.641 173.199 174.990 -0.251 0.000 1.175 130 C CA -0.672 58.049 59.018 -0.496 0.000 1.434 130 C CB 2.550 29.813 27.740 -0.795 0.000 2.005 130 C HN 0.628 8.394 8.230 -0.773 0.000 0.471 131 E N 3.070 123.253 120.200 -0.028 0.000 2.263 131 E HA 0.626 nan 4.350 nan 0.000 0.268 131 E C -2.257 174.291 176.600 -0.087 0.000 0.884 131 E CA -1.355 55.023 56.400 -0.036 0.000 0.766 131 E CB 3.357 33.100 29.700 0.073 0.000 1.196 131 E HN 0.267 8.663 8.360 0.060 0.000 0.416 132 V N 3.379 123.151 119.914 -0.238 0.000 2.407 132 V HA 0.612 nan 4.120 nan 0.000 0.291 132 V C -1.588 174.298 176.094 -0.346 0.000 1.018 132 V CA -0.923 61.278 62.300 -0.165 0.000 0.842 132 V CB 1.361 33.161 31.823 -0.039 0.000 0.996 132 V HN 0.553 8.587 8.190 -0.261 0.000 0.426 133 F N 5.185 125.128 119.950 -0.013 0.000 2.450 133 F HA 0.555 nan 4.527 nan 0.000 0.332 133 F C 0.613 176.394 175.800 -0.030 0.000 1.093 133 F CA -1.783 56.196 58.000 -0.035 0.000 1.003 133 F CB 2.277 41.272 39.000 -0.008 0.000 1.151 133 F HN -0.146 8.329 8.300 0.292 0.000 0.474 134 G N 1.121 110.011 108.800 0.150 0.000 2.213 134 G HA2 -0.390 nan 3.960 nan 0.000 0.226 134 G HA3 -0.390 nan 3.960 nan 0.000 0.226 134 G C -1.442 173.481 174.900 0.039 0.000 0.992 134 G CA 0.036 45.185 45.100 0.081 0.000 0.632 134 G HN 0.709 8.963 8.290 0.134 0.116 0.511 135 L N 1.151 122.390 121.223 0.026 0.000 2.296 135 L HA 0.164 nan 4.340 nan 0.000 0.286 135 L C -0.179 176.713 176.870 0.036 0.000 1.023 135 L CA -1.504 53.350 54.840 0.023 0.000 0.812 135 L CB 0.441 42.510 42.059 0.016 0.000 1.223 135 L HN -0.384 7.801 8.230 0.017 0.055 0.421 136 Q N 5.068 124.899 119.800 0.051 0.000 2.103 136 Q HA -0.077 nan 4.340 nan 0.000 0.193 136 Q C 0.341 176.437 176.000 0.161 0.000 0.986 136 Q CA 1.126 56.985 55.803 0.094 0.000 0.834 136 Q CB 0.500 29.288 28.738 0.082 0.000 0.915 136 Q HN 0.476 8.770 8.270 0.040 0.000 0.483 137 G N -1.727 107.123 108.800 0.085 0.000 3.014 137 G HA2 -0.071 nan 3.960 nan 0.000 0.239 137 G HA3 -0.071 nan 3.960 nan 0.000 0.239 137 G C -0.269 174.561 174.900 -0.118 0.000 1.249 137 G CA -1.377 43.714 45.100 -0.017 0.000 0.867 137 G HN -0.137 8.188 8.290 0.057 0.000 0.607 138 P HA -0.054 nan 4.420 nan 0.000 0.230 138 P C 0.064 177.259 177.300 -0.175 0.000 1.158 138 P CA 1.489 64.332 63.100 -0.429 0.000 0.769 138 P CB 0.240 31.602 31.700 -0.564 0.000 0.807 139 D N -0.309 120.017 120.400 -0.123 0.000 2.092 139 D HA -0.326 nan 4.640 nan 0.000 0.193 139 D C 2.004 178.285 176.300 -0.033 0.000 0.994 139 D CA 3.160 57.118 54.000 -0.071 0.000 0.828 139 D CB -1.217 39.554 40.800 -0.048 0.000 0.963 139 D HN 0.431 8.660 8.370 -0.130 0.063 0.450 140 I N -0.843 119.725 120.570 -0.003 0.000 2.454 140 I HA -0.394 nan 4.170 nan 0.000 0.254 140 I C 0.356 176.496 176.117 0.038 0.000 1.156 140 I CA 2.281 63.601 61.300 0.033 0.000 1.433 140 I CB 0.061 38.088 38.000 0.044 0.000 1.082 140 I HN -0.484 7.723 8.210 -0.005 0.000 0.432 141 D N 0.386 120.802 120.400 0.027 0.000 2.097 141 D HA -0.363 nan 4.640 nan 0.000 0.195 141 D C 2.056 178.309 176.300 -0.079 0.000 0.989 141 D CA 4.218 58.233 54.000 0.025 0.000 0.827 141 D CB -0.862 39.977 40.800 0.064 0.000 0.966 141 D HN -0.200 8.072 8.370 0.018 0.109 0.456 142 A N -0.796 121.965 122.820 -0.099 0.000 1.933 142 A HA -0.290 nan 4.320 nan 0.000 0.218 142 A C 1.730 179.253 177.584 -0.103 0.000 1.175 142 A CA 3.078 55.035 52.037 -0.134 0.000 0.628 142 A CB -0.727 18.198 19.000 -0.126 0.000 0.814 142 A HN -0.025 8.004 8.150 -0.085 0.070 0.444 143 E N -0.459 119.714 120.200 -0.045 0.000 2.058 143 E HA -0.346 nan 4.350 nan 0.000 0.194 143 E C 2.323 178.864 176.600 -0.098 0.000 0.997 143 E CA 3.033 59.427 56.400 -0.010 0.000 0.801 143 E CB -0.139 29.608 29.700 0.080 0.000 0.746 143 E HN -0.402 7.849 8.360 -0.027 0.093 0.450 144 L N -1.530 119.651 121.223 -0.069 0.000 2.046 144 L HA -0.346 nan 4.340 nan 0.000 0.208 144 L C 2.447 179.154 176.870 -0.272 0.000 1.077 144 L CA 3.091 57.883 54.840 -0.081 0.000 0.747 144 L CB -0.157 42.004 42.059 0.169 0.000 0.896 144 L HN -0.255 7.967 8.230 -0.013 0.000 0.432 145 I N -1.226 119.171 120.570 -0.288 0.000 2.315 145 I HA -0.573 nan 4.170 nan 0.000 0.248 145 I C 2.016 178.014 176.117 -0.197 0.000 1.117 145 I CA 3.986 65.128 61.300 -0.263 0.000 1.404 145 I CB -0.177 37.647 38.000 -0.293 0.000 1.071 145 I HN -0.481 7.504 8.210 -0.248 0.077 0.419 146 M N -0.630 118.846 119.600 -0.206 0.000 2.175 146 M HA -0.381 nan 4.480 nan 0.000 0.264 146 M C 2.143 178.225 176.300 -0.362 0.000 1.063 146 M CA 4.039 59.231 55.300 -0.180 0.000 1.119 146 M CB -0.099 32.462 32.600 -0.066 0.000 1.377 146 M HN -0.259 7.821 8.290 -0.185 0.099 0.415 147 L N -0.539 120.323 121.223 -0.600 0.000 1.989 147 L HA -0.467 nan 4.340 nan 0.000 0.211 147 L C 1.768 177.874 176.870 -1.273 0.000 1.071 147 L CA 3.693 57.863 54.840 -1.116 0.000 0.749 147 L CB -0.026 41.266 42.059 -1.279 0.000 0.890 147 L HN 0.243 8.096 8.230 -0.495 0.080 0.431 148 T N -3.504 110.327 114.554 -1.205 0.000 2.746 148 T HA -0.342 nan 4.350 nan 0.000 0.267 148 T C 1.672 175.424 174.700 -1.581 0.000 1.039 148 T CA 3.671 64.862 62.100 -1.514 0.000 1.142 148 T CB -0.755 67.316 68.868 -1.328 0.000 0.866 148 T HN -0.324 7.364 8.240 -0.920 0.000 0.444 149 A N 2.239 124.481 122.820 -0.962 0.000 1.940 149 A HA -0.337 nan 4.320 nan 0.000 0.219 149 A C 1.738 179.077 177.584 -0.408 0.000 1.176 149 A CA 3.009 54.698 52.037 -0.581 0.000 0.631 149 A CB -0.975 17.935 19.000 -0.151 0.000 0.814 149 A HN -0.160 7.519 8.150 -0.675 0.067 0.446 150 R N -2.102 118.157 120.500 -0.401 0.000 2.092 150 R HA -0.260 nan 4.340 nan 0.000 0.231 150 R C 1.870 178.083 176.300 -0.145 0.000 1.119 150 R CA 3.568 59.544 56.100 -0.207 0.000 0.970 150 R CB -0.039 30.172 30.300 -0.147 0.000 0.864 150 R HN -0.095 7.776 8.270 -0.499 0.099 0.440 151 W N -1.317 119.673 121.300 -0.515 0.000 2.355 151 W HA -0.265 nan 4.660 nan 0.000 0.309 151 W C 2.278 178.654 176.519 -0.238 0.000 1.206 151 W CA 2.014 59.073 57.345 -0.476 0.000 1.284 151 W CB -0.793 28.181 29.460 -0.810 0.000 1.145 151 W HN -0.685 7.008 8.180 -0.634 0.107 0.502 152 W N -2.845 118.440 121.300 -0.024 0.000 2.321 152 W HA -0.591 nan 4.660 nan 0.000 0.306 152 W C 2.227 178.712 176.519 -0.058 0.000 1.217 152 W CA 2.047 59.330 57.345 -0.104 0.000 1.257 152 W CB -0.527 28.815 29.460 -0.197 0.000 1.145 152 W HN -0.099 7.670 8.180 -0.684 0.000 0.509 153 R N -2.674 117.920 120.500 0.157 0.000 2.075 153 R HA -0.349 nan 4.340 nan 0.000 0.232 153 R C 3.116 179.463 176.300 0.079 0.000 1.126 153 R CA 3.034 59.192 56.100 0.098 0.000 0.963 153 R CB -0.416 29.919 30.300 0.058 0.000 0.858 153 R HN -0.329 7.994 8.270 0.090 0.002 0.435 154 A N 0.896 123.761 122.820 0.074 0.000 1.940 154 A HA -0.166 nan 4.320 nan 0.000 0.219 154 A C 1.584 179.201 177.584 0.056 0.000 1.176 154 A CA 2.713 54.792 52.037 0.069 0.000 0.631 154 A CB -0.405 18.643 19.000 0.079 0.000 0.814 154 A HN -0.006 8.116 8.150 0.070 0.070 0.446 155 L N -5.285 115.954 121.223 0.027 0.000 2.558 155 L HA 0.025 nan 4.340 nan 0.000 0.225 155 L C 0.613 177.425 176.870 -0.097 0.000 1.128 155 L CA -1.131 53.652 54.840 -0.095 0.000 0.868 155 L CB -0.624 41.352 42.059 -0.138 0.000 1.006 155 L HN -0.100 8.161 8.230 0.072 0.012 0.454 156 G N -0.799 108.008 108.800 0.012 0.000 2.246 156 G HA2 -0.358 nan 3.960 nan 0.000 0.273 156 G HA3 -0.358 nan 3.960 nan 0.000 0.273 156 G C -0.069 174.847 174.900 0.026 0.000 1.055 156 G CA 1.063 46.179 45.100 0.027 0.000 0.851 156 G HN -0.362 7.760 8.290 0.053 0.199 0.500 157 I N -9.351 111.246 120.570 0.045 0.000 3.947 157 I HA 0.493 nan 4.170 nan 0.000 0.327 157 I C 0.560 176.730 176.117 0.089 0.000 1.519 157 I CA -1.761 59.569 61.300 0.051 0.000 1.122 157 I CB 0.528 38.469 38.000 -0.098 0.000 1.146 157 I HN -0.295 7.963 8.210 0.080 0.000 0.442 158 S N 3.100 118.872 115.700 0.120 0.000 2.402 158 S HA -0.338 nan 4.470 nan 0.000 0.233 158 S C 1.640 176.264 174.600 0.041 0.000 1.030 158 S CA 3.312 61.585 58.200 0.121 0.000 1.003 158 S CB -0.550 62.733 63.200 0.139 0.000 0.813 158 S HN -0.268 8.049 8.310 0.125 0.068 0.477 159 E N 0.345 120.541 120.200 -0.006 0.000 2.418 159 E HA -0.143 nan 4.350 nan 0.000 0.197 159 E C 0.072 176.373 176.600 -0.497 0.000 1.026 159 E CA 1.324 57.580 56.400 -0.240 0.000 0.862 159 E CB -0.538 28.963 29.700 -0.332 0.000 0.799 159 E HN 0.184 8.564 8.360 0.073 0.024 0.518 160 H N -2.489 116.538 119.070 -0.072 0.000 2.587 160 H HA 0.303 nan 4.556 nan 0.000 0.245 160 H C -1.735 173.504 175.328 -0.149 0.000 1.238 160 H CA -0.559 55.432 56.048 -0.095 0.000 0.963 160 H CB 0.456 30.154 29.762 -0.107 0.000 1.904 160 H HN -0.268 7.856 8.280 0.052 0.186 0.584 161 V N -0.791 119.089 119.914 -0.056 0.000 2.789 161 V HA 0.225 nan 4.120 nan 0.000 0.300 161 V C -1.018 175.170 176.094 0.157 0.000 1.184 161 V CA 0.355 62.615 62.300 -0.066 0.000 0.930 161 V CB 2.916 34.441 31.823 -0.496 0.000 1.041 161 V HN -0.580 7.589 8.190 -0.036 0.000 0.430 162 T N 7.773 122.419 114.554 0.153 0.000 2.940 162 T HA 0.601 nan 4.350 nan 0.000 0.288 162 T C -2.154 172.501 174.700 -0.074 0.000 1.033 162 T CA -1.479 60.669 62.100 0.080 0.000 1.033 162 T CB 2.418 71.288 68.868 0.004 0.000 1.079 162 T HN 0.694 8.890 8.240 0.105 0.107 0.496 163 L N 2.381 123.429 121.223 -0.291 0.000 2.296 163 L HA 0.633 nan 4.340 nan 0.000 0.286 163 L C -2.180 174.542 176.870 -0.247 0.000 1.023 163 L CA -1.252 53.219 54.840 -0.615 0.000 0.812 163 L CB 2.371 43.871 42.059 -0.931 0.000 1.223 163 L HN 0.503 8.638 8.230 -0.159 0.000 0.421 164 E N 5.812 125.899 120.200 -0.187 0.000 2.171 164 E HA 0.678 nan 4.350 nan 0.000 0.271 164 E C -1.946 174.671 176.600 0.028 0.000 0.916 164 E CA -1.315 55.061 56.400 -0.040 0.000 0.774 164 E CB 3.156 32.838 29.700 -0.029 0.000 1.128 164 E HN 0.401 8.610 8.360 -0.252 0.000 0.403 165 L N 2.557 123.853 121.223 0.122 0.000 2.350 165 L HA 0.822 nan 4.340 nan 0.000 0.260 165 L C -2.532 174.471 176.870 0.220 0.000 1.015 165 L CA -1.141 53.824 54.840 0.210 0.000 0.821 165 L CB 4.423 46.632 42.059 0.251 0.000 1.370 165 L HN 0.603 8.919 8.230 0.143 0.000 0.416 166 N N 0.341 119.142 118.700 0.168 0.000 3.171 166 N HA 0.166 nan 4.740 nan 0.000 0.239 166 N C -3.292 171.998 175.510 -0.367 0.000 1.275 166 N CA 0.461 53.413 53.050 -0.164 0.000 0.920 166 N CB 3.522 41.935 38.487 -0.122 0.000 1.554 166 N HN 0.170 8.699 8.380 0.249 0.000 0.504 167 S N 1.761 116.997 115.700 -0.775 0.000 2.454 167 S HA 0.690 nan 4.470 nan 0.000 0.306 167 S C -0.318 174.092 174.600 -0.318 0.000 1.100 167 S CA -2.421 55.456 58.200 -0.538 0.000 1.087 167 S CB 0.904 63.656 63.200 -0.746 0.000 1.019 167 S HN 0.063 7.820 8.310 -0.922 0.000 0.480 168 I N 1.535 122.003 120.570 -0.170 0.000 3.816 168 I HA 0.536 nan 4.170 nan 0.000 0.334 168 I C -0.169 175.901 176.117 -0.078 0.000 1.551 168 I CA -1.769 59.455 61.300 -0.127 0.000 1.153 168 I CB -0.537 37.414 38.000 -0.082 0.000 1.197 168 I HN 0.530 8.566 8.210 -0.117 0.104 0.439 169 G N 1.175 109.925 108.800 -0.083 0.000 2.578 169 G HA2 -0.506 nan 3.960 nan 0.000 0.284 169 G HA3 -0.506 nan 3.960 nan 0.000 0.284 169 G C -1.031 173.864 174.900 -0.009 0.000 1.283 169 G CA 0.544 45.620 45.100 -0.040 0.000 0.944 169 G HN -0.442 7.692 8.290 -0.123 0.082 0.558 170 S N -0.890 114.817 115.700 0.011 0.000 2.758 170 S HA 0.335 nan 4.470 nan 0.000 0.292 170 S C 1.577 176.201 174.600 0.041 0.000 1.131 170 S CA -1.924 56.293 58.200 0.028 0.000 0.997 170 S CB 2.357 65.574 63.200 0.029 0.000 1.111 170 S HN -0.320 8.208 8.310 0.015 -0.209 0.552 171 L N 2.401 123.652 121.223 0.047 0.000 2.021 171 L HA -0.358 nan 4.340 nan 0.000 0.215 171 L C 2.453 179.353 176.870 0.050 0.000 1.074 171 L CA 3.418 58.288 54.840 0.050 0.000 0.760 171 L CB -1.866 40.223 42.059 0.049 0.000 0.889 171 L HN 0.683 8.941 8.230 0.047 0.000 0.433 172 E N -1.435 118.795 120.200 0.050 0.000 2.033 172 E HA -0.350 nan 4.350 nan 0.000 0.199 172 E C 2.137 178.780 176.600 0.072 0.000 1.011 172 E CA 3.137 59.570 56.400 0.056 0.000 0.815 172 E CB -0.992 28.741 29.700 0.054 0.000 0.755 172 E HN 0.324 8.712 8.360 0.047 0.000 0.451 173 A N -1.956 120.910 122.820 0.077 0.000 1.917 173 A HA -0.310 nan 4.320 nan 0.000 0.219 173 A C 2.509 180.158 177.584 0.108 0.000 1.182 173 A CA 2.834 54.937 52.037 0.110 0.000 0.633 173 A CB -0.571 18.479 19.000 0.084 0.000 0.819 173 A HN -0.550 7.638 8.150 0.063 0.000 0.448 174 R N -2.258 118.286 120.500 0.073 0.000 2.115 174 R HA -0.246 nan 4.340 nan 0.000 0.226 174 R C 2.274 178.620 176.300 0.076 0.000 1.100 174 R CA 2.843 58.991 56.100 0.079 0.000 0.980 174 R CB 0.147 30.481 30.300 0.058 0.000 0.875 174 R HN -0.284 8.012 8.270 0.059 0.010 0.445 175 A N -2.451 120.402 122.820 0.056 0.000 2.206 175 A HA -0.059 nan 4.320 nan 0.000 0.211 175 A C 1.449 179.046 177.584 0.021 0.000 1.158 175 A CA 2.202 54.260 52.037 0.034 0.000 0.761 175 A CB -0.659 18.361 19.000 0.034 0.000 0.801 175 A HN 0.232 8.327 8.150 0.058 0.090 0.473 176 N N -1.769 116.955 118.700 0.040 0.000 2.414 176 N HA 0.045 nan 4.740 nan 0.000 0.177 176 N C 1.121 176.552 175.510 -0.131 0.000 1.062 176 N CA 1.566 54.631 53.050 0.026 0.000 0.890 176 N CB 0.866 39.437 38.487 0.140 0.000 1.070 176 N HN -0.340 7.895 8.380 0.070 0.187 0.454 177 Y N 1.700 121.804 120.300 -0.328 0.000 2.439 177 Y HA -0.257 nan 4.550 nan 0.000 0.292 177 Y C 0.606 176.282 175.900 -0.374 0.000 1.130 177 Y CA 2.673 60.393 58.100 -0.634 0.000 1.254 177 Y CB 0.376 38.602 38.460 -0.390 0.000 1.000 177 Y HN 0.010 8.237 8.280 0.063 0.091 0.554 178 R N -1.307 119.061 120.500 -0.219 0.000 2.088 178 R HA -0.471 nan 4.340 nan 0.000 0.232 178 R C 1.714 177.867 176.300 -0.245 0.000 1.136 178 R CA 3.671 59.644 56.100 -0.212 0.000 0.926 178 R CB -1.084 29.166 30.300 -0.083 0.000 0.837 178 R HN -0.580 7.608 8.270 -0.085 0.031 0.429 179 D N 0.339 120.635 120.400 -0.172 0.000 2.154 179 D HA -0.412 nan 4.640 nan 0.000 0.190 179 D C 1.993 178.195 176.300 -0.163 0.000 1.003 179 D CA 3.223 57.147 54.000 -0.126 0.000 0.849 179 D CB -0.460 40.294 40.800 -0.075 0.000 0.942 179 D HN -0.125 8.163 8.370 -0.136 0.000 0.446 180 A N -0.846 121.814 122.820 -0.266 0.000 1.858 180 A HA -0.219 nan 4.320 nan 0.000 0.216 180 A C 2.157 179.563 177.584 -0.296 0.000 1.190 180 A CA 2.818 54.702 52.037 -0.254 0.000 0.617 180 A CB -0.449 18.343 19.000 -0.347 0.000 0.827 180 A HN -0.764 7.186 8.150 -0.333 0.000 0.443 181 L N -1.020 119.852 121.223 -0.584 0.000 1.955 181 L HA -0.395 nan 4.340 nan 0.000 0.213 181 L C 2.143 178.912 176.870 -0.169 0.000 1.072 181 L CA 3.347 57.874 54.840 -0.522 0.000 0.755 181 L CB -0.196 41.400 42.059 -0.771 0.000 0.888 181 L HN 0.154 7.791 8.230 -0.809 0.108 0.432 182 V N -1.430 118.390 119.914 -0.157 0.000 2.282 182 V HA -0.588 nan 4.120 nan 0.000 0.249 182 V C 1.775 177.863 176.094 -0.009 0.000 1.057 182 V CA 4.233 66.498 62.300 -0.057 0.000 1.032 182 V CB -1.628 30.156 31.823 -0.066 0.000 0.645 182 V HN 0.443 8.385 8.190 -0.233 0.108 0.447 183 A N 0.075 122.882 122.820 -0.021 0.000 1.873 183 A HA -0.330 nan 4.320 nan 0.000 0.218 183 A C 1.675 179.287 177.584 0.045 0.000 1.193 183 A CA 3.241 55.281 52.037 0.004 0.000 0.629 183 A CB -0.780 18.219 19.000 -0.001 0.000 0.826 183 A HN -0.208 7.899 8.150 -0.065 0.004 0.447 184 F N -0.934 118.966 119.950 -0.084 0.000 2.171 184 F HA -0.350 nan 4.527 nan 0.000 0.300 184 F C 1.205 176.974 175.800 -0.052 0.000 1.090 184 F CA 2.509 60.473 58.000 -0.061 0.000 1.293 184 F CB 0.205 39.164 39.000 -0.068 0.000 1.013 184 F HN -0.500 7.904 8.300 0.174 0.000 0.486 185 L N -1.697 119.675 121.223 0.249 0.000 2.046 185 L HA -0.472 nan 4.340 nan 0.000 0.208 185 L C 2.011 178.861 176.870 -0.033 0.000 1.077 185 L CA 2.749 57.667 54.840 0.130 0.000 0.747 185 L CB -0.508 41.618 42.059 0.112 0.000 0.896 185 L HN -0.188 8.088 8.230 0.261 0.111 0.432 186 E N -0.706 119.472 120.200 -0.036 0.000 2.085 186 E HA -0.301 nan 4.350 nan 0.000 0.194 186 E C 1.681 178.222 176.600 -0.099 0.000 0.994 186 E CA 2.059 58.427 56.400 -0.054 0.000 0.801 186 E CB 0.074 29.751 29.700 -0.039 0.000 0.743 186 E HN -0.133 8.223 8.360 -0.007 0.000 0.453 187 Q N -2.311 117.397 119.800 -0.153 0.000 1.822 187 Q HA -0.177 nan 4.340 nan 0.000 0.251 187 Q C 1.195 177.026 176.000 -0.281 0.000 0.969 187 Q CA 1.350 57.031 55.803 -0.204 0.000 0.875 187 Q CB -0.640 27.962 28.738 -0.225 0.000 0.917 187 Q HN -0.464 7.721 8.270 -0.142 0.000 0.428 225 L N 2.659 123.728 121.223 -0.257 0.000 2.017 225 L HA -0.237 nan 4.340 nan 0.000 0.208 225 L C 1.569 178.309 176.870 -0.218 0.000 1.073 225 L CA 1.735 56.211 54.840 -0.606 0.000 0.745 225 L CB 0.251 41.971 42.059 -0.565 0.000 0.894 225 L HN 0.688 8.809 8.230 -0.183 0.000 0.432 226 G N -3.916 104.796 108.800 -0.147 0.000 2.549 226 G HA2 -0.445 nan 3.960 nan 0.000 0.222 226 G HA3 -0.445 nan 3.960 nan 0.000 0.222 226 G C 0.292 175.134 174.900 -0.097 0.000 1.100 226 G CA 2.095 47.128 45.100 -0.111 0.000 0.739 226 G HN 0.365 8.570 8.290 -0.141 0.000 0.577 227 D N -0.510 119.822 120.400 -0.113 0.000 2.354 227 D HA 0.022 nan 4.640 nan 0.000 0.209 227 D C 0.587 176.588 176.300 -0.499 0.000 1.015 227 D CA 1.090 54.916 54.000 -0.290 0.000 0.867 227 D CB 0.537 41.119 40.800 -0.362 0.000 0.933 227 D HN -0.505 7.769 8.370 -0.038 0.073 0.520 228 Y N -2.825 117.461 120.300 -0.024 0.000 2.458 228 Y HA 0.039 nan 4.550 nan 0.000 0.256 228 Y C -0.021 175.868 175.900 -0.018 0.000 1.159 228 Y CA -0.311 57.796 58.100 0.011 0.000 1.261 228 Y CB 0.631 39.138 38.460 0.077 0.000 1.119 228 Y HN -0.432 7.897 8.280 0.082 0.000 0.524 229 L N 2.162 123.398 121.223 0.021 0.000 2.615 229 L HA -0.207 nan 4.340 nan 0.000 0.271 229 L C -0.120 176.757 176.870 0.012 0.000 1.183 229 L CA 0.068 54.906 54.840 -0.003 0.000 0.933 229 L CB -0.357 41.675 42.059 -0.045 0.000 1.199 229 L HN -0.504 7.645 8.230 -0.026 0.065 0.487 230 D N 3.999 124.417 120.400 0.029 0.000 2.443 230 D HA -0.277 nan 4.640 nan 0.000 0.234 230 D C 0.973 177.292 176.300 0.030 0.000 1.172 230 D CA 0.317 54.337 54.000 0.033 0.000 0.878 230 D CB 0.997 41.819 40.800 0.037 0.000 1.204 230 D HN -0.008 8.381 8.370 0.032 0.000 0.453 231 E N 1.149 121.367 120.200 0.031 0.000 2.065 231 E HA -0.374 nan 4.350 nan 0.000 0.201 231 E C 2.302 178.932 176.600 0.049 0.000 1.016 231 E CA 3.804 60.224 56.400 0.034 0.000 0.818 231 E CB -0.369 29.349 29.700 0.030 0.000 0.749 231 E HN 0.422 8.799 8.360 0.029 0.000 0.453 232 E N -2.759 117.472 120.200 0.050 0.000 2.118 232 E HA -0.269 nan 4.350 nan 0.000 0.195 232 E C 2.642 179.297 176.600 0.091 0.000 0.992 232 E CA 2.870 59.309 56.400 0.066 0.000 0.804 232 E CB -0.463 29.270 29.700 0.056 0.000 0.741 232 E HN 0.510 8.896 8.360 0.043 0.000 0.458 233 S N -0.828 114.913 115.700 0.069 0.000 2.428 233 S HA -0.190 nan 4.470 nan 0.000 0.230 233 S C 1.877 176.560 174.600 0.138 0.000 1.014 233 S CA 2.557 60.801 58.200 0.073 0.000 0.957 233 S CB -0.215 62.993 63.200 0.013 0.000 0.784 233 S HN -0.559 7.910 8.310 0.049 -0.130 0.499 234 R N 1.721 122.290 120.500 0.114 0.000 2.090 234 R HA -0.254 nan 4.340 nan 0.000 0.228 234 R C 2.162 178.562 176.300 0.166 0.000 1.110 234 R CA 3.352 59.538 56.100 0.144 0.000 0.973 234 R CB -0.075 30.277 30.300 0.087 0.000 0.869 234 R HN -0.563 7.634 8.270 0.081 0.122 0.440 235 E N -0.443 119.835 120.200 0.130 0.000 2.017 235 E HA -0.396 nan 4.350 nan 0.000 0.193 235 E C 1.985 178.662 176.600 0.128 0.000 0.997 235 E CA 3.342 59.803 56.400 0.102 0.000 0.804 235 E CB -0.156 29.593 29.700 0.082 0.000 0.757 235 E HN -0.575 7.853 8.360 0.113 0.000 0.448 236 H N 0.655 119.769 119.070 0.074 0.000 2.321 236 H HA -0.347 nan 4.556 nan 0.000 0.295 236 H C 2.089 177.478 175.328 0.102 0.000 1.102 236 H CA 3.516 59.610 56.048 0.077 0.000 1.266 236 H CB 0.250 30.067 29.762 0.091 0.000 1.363 236 H HN -0.586 7.848 8.280 0.257 0.000 0.492 237 F N -0.959 119.115 119.950 0.206 0.000 2.293 237 F HA -0.305 nan 4.527 nan 0.000 0.300 237 F C 1.003 176.816 175.800 0.023 0.000 1.086 237 F CA 2.590 60.661 58.000 0.118 0.000 1.375 237 F CB -0.154 38.898 39.000 0.087 0.000 1.045 237 F HN -0.300 8.281 8.300 0.468 0.000 0.516 238 A N -0.521 122.297 122.820 -0.003 0.000 1.897 238 A HA -0.223 nan 4.320 nan 0.000 0.215 238 A C 1.941 179.430 177.584 -0.158 0.000 1.181 238 A CA 3.129 55.106 52.037 -0.101 0.000 0.620 238 A CB -0.924 18.076 19.000 0.001 0.000 0.821 238 A HN 0.055 8.167 8.150 0.136 0.119 0.443 239 G N -0.939 107.786 108.800 -0.125 0.000 2.446 239 G HA2 -0.332 nan 3.960 nan 0.000 0.217 239 G HA3 -0.332 nan 3.960 nan 0.000 0.217 239 G C 0.870 175.639 174.900 -0.218 0.000 1.168 239 G CA 1.931 46.940 45.100 -0.153 0.000 0.771 239 G HN 0.332 8.579 8.290 -0.071 0.000 0.551 240 L N 0.717 121.775 121.223 -0.276 0.000 1.989 240 L HA -0.298 nan 4.340 nan 0.000 0.211 240 L C 1.850 178.474 176.870 -0.410 0.000 1.071 240 L CA 3.107 57.757 54.840 -0.318 0.000 0.749 240 L CB -0.259 41.634 42.059 -0.276 0.000 0.890 240 L HN -0.226 7.854 8.230 -0.251 0.000 0.431 241 C N -1.903 117.076 119.300 -0.535 0.000 2.429 241 C HA -0.423 nan 4.460 nan 0.000 0.277 241 C C 1.840 176.654 174.990 -0.293 0.000 1.262 241 C CA 4.088 62.766 59.018 -0.566 0.000 1.733 241 C CB -2.064 25.383 27.740 -0.489 0.000 2.010 241 C HN -0.240 7.644 8.230 -0.577 0.000 0.483 242 K N 0.210 120.489 120.400 -0.201 0.000 2.152 242 K HA -0.351 nan 4.320 nan 0.000 0.206 242 K C 2.218 178.750 176.600 -0.114 0.000 1.048 242 K CA 3.395 59.614 56.287 -0.115 0.000 0.933 242 K CB -0.266 32.176 32.500 -0.096 0.000 0.721 242 K HN 0.060 8.067 8.250 -0.224 0.109 0.447 243 L N -0.916 120.214 121.223 -0.155 0.000 2.072 243 L HA -0.230 nan 4.340 nan 0.000 0.205 243 L C 2.272 179.066 176.870 -0.127 0.000 1.079 243 L CA 2.923 57.684 54.840 -0.131 0.000 0.752 243 L CB -0.474 41.497 42.059 -0.146 0.000 0.906 243 L HN -0.217 7.779 8.230 -0.195 0.117 0.436 244 L N -1.345 119.763 121.223 -0.191 0.000 2.093 244 L HA -0.431 nan 4.340 nan 0.000 0.208 244 L C 2.198 179.041 176.870 -0.046 0.000 1.085 244 L CA 3.409 58.150 54.840 -0.165 0.000 0.755 244 L CB -0.857 40.992 42.059 -0.349 0.000 0.904 244 L HN -0.233 7.761 8.230 -0.265 0.077 0.435 245 E N -0.661 119.534 120.200 -0.009 0.000 2.051 245 E HA -0.402 nan 4.350 nan 0.000 0.192 245 E C 3.398 180.006 176.600 0.014 0.000 0.991 245 E CA 3.257 59.689 56.400 0.054 0.000 0.799 245 E CB -0.418 29.315 29.700 0.055 0.000 0.748 245 E HN -0.058 8.266 8.360 -0.060 0.000 0.449 246 S N 1.484 117.176 115.700 -0.014 0.000 2.370 246 S HA -0.284 nan 4.470 nan 0.000 0.226 246 S C 1.509 176.102 174.600 -0.013 0.000 1.033 246 S CA 2.516 60.706 58.200 -0.017 0.000 1.011 246 S CB -0.063 63.118 63.200 -0.030 0.000 0.852 246 S HN -0.581 7.711 8.310 -0.030 0.000 0.457 247 A N -1.562 121.247 122.820 -0.018 0.000 2.216 247 A HA -0.018 nan 4.320 nan 0.000 0.214 247 A C 0.081 177.670 177.584 0.008 0.000 1.160 247 A CA 0.211 52.241 52.037 -0.011 0.000 0.725 247 A CB -0.106 18.881 19.000 -0.022 0.000 0.784 247 A HN -0.369 7.689 8.150 -0.032 0.073 0.472 248 G N -2.649 106.162 108.800 0.019 0.000 2.147 248 G HA2 -0.395 nan 3.960 nan 0.000 0.244 248 G HA3 -0.395 nan 3.960 nan 0.000 0.244 248 G C -0.377 174.559 174.900 0.059 0.000 1.005 248 G CA -0.014 45.106 45.100 0.034 0.000 0.713 248 G HN -0.338 7.738 8.290 0.014 0.223 0.515 249 I N 1.589 122.202 120.570 0.071 0.000 2.352 249 I HA -0.136 nan 4.170 nan 0.000 0.290 249 I C -1.288 174.928 176.117 0.165 0.000 1.036 249 I CA -0.099 61.269 61.300 0.114 0.000 1.336 249 I CB 0.119 38.170 38.000 0.085 0.000 1.407 249 I HN -0.209 7.992 8.210 0.048 0.038 0.497 250 A N 8.602 131.514 122.820 0.153 0.000 2.320 250 A HA 0.243 nan 4.320 nan 0.000 0.287 250 A C -1.773 175.895 177.584 0.139 0.000 1.181 250 A CA -0.301 51.809 52.037 0.121 0.000 0.831 250 A CB 0.902 19.924 19.000 0.037 0.000 1.102 250 A HN 0.329 8.568 8.150 0.148 0.000 0.513 251 Y N -0.714 119.536 120.300 -0.083 0.000 2.790 251 Y HA 0.759 nan 4.550 nan 0.000 0.323 251 Y C -1.381 174.471 175.900 -0.079 0.000 1.230 251 Y CA -2.844 55.184 58.100 -0.121 0.000 1.121 251 Y CB 1.841 40.213 38.460 -0.146 0.000 1.328 251 Y HN -0.167 8.033 8.280 -0.133 0.000 0.514 252 T N 1.167 115.699 114.554 -0.037 0.000 3.143 252 T HA 0.272 nan 4.350 nan 0.000 0.312 252 T C -1.598 173.143 174.700 0.069 0.000 0.986 252 T CA 0.036 62.081 62.100 -0.092 0.000 1.024 252 T CB 1.476 70.301 68.868 -0.071 0.000 1.030 252 T HN -0.021 8.302 8.240 0.137 0.000 0.448 253 V N 3.842 123.815 119.914 0.098 0.000 2.521 253 V HA 0.184 nan 4.120 nan 0.000 0.286 253 V C -0.558 175.581 176.094 0.075 0.000 1.034 253 V CA 0.237 62.650 62.300 0.188 0.000 1.045 253 V CB -0.322 31.651 31.823 0.251 0.000 0.974 253 V HN 0.375 8.563 8.190 -0.004 0.000 0.480 254 N N 7.514 126.246 118.700 0.054 0.000 2.531 254 N HA 0.255 nan 4.740 nan 0.000 0.268 254 N C -0.022 175.471 175.510 -0.027 0.000 1.023 254 N CA -0.999 52.054 53.050 0.004 0.000 0.896 254 N CB 2.068 40.553 38.487 -0.003 0.000 1.233 254 N HN 0.439 8.867 8.380 0.079 0.000 0.512 255 Q N 4.722 124.498 119.800 -0.039 0.000 2.482 255 Q HA -0.136 nan 4.340 nan 0.000 0.209 255 Q C 0.640 176.591 176.000 -0.081 0.000 0.961 255 Q CA 1.798 57.555 55.803 -0.076 0.000 0.945 255 Q CB 0.338 29.034 28.738 -0.069 0.000 1.012 255 Q HN 0.661 8.916 8.270 -0.025 0.000 0.515 256 R N -2.242 118.225 120.500 -0.055 0.000 2.432 256 R HA 0.048 nan 4.340 nan 0.000 0.260 256 R C -0.802 175.469 176.300 -0.048 0.000 0.935 256 R CA -0.829 55.244 56.100 -0.045 0.000 1.080 256 R CB 0.901 31.184 30.300 -0.029 0.000 1.155 256 R HN -0.638 7.819 8.270 -0.043 -0.213 0.531 257 L N 1.675 122.863 121.223 -0.059 0.000 2.295 257 L HA 0.081 nan 4.340 nan 0.000 0.288 257 L C -1.709 175.110 176.870 -0.085 0.000 1.079 257 L CA 0.665 55.467 54.840 -0.064 0.000 0.830 257 L CB -0.239 41.787 42.059 -0.055 0.000 1.200 257 L HN -0.679 7.431 8.230 -0.064 0.082 0.438 258 V N 5.859 125.726 119.914 -0.079 0.000 2.876 258 V HA 0.281 nan 4.120 nan 0.000 0.312 258 V C -0.974 175.060 176.094 -0.100 0.000 1.085 258 V CA -1.290 60.961 62.300 -0.083 0.000 0.945 258 V CB 3.205 35.002 31.823 -0.043 0.000 1.017 258 V HN 0.084 8.235 8.190 -0.065 0.000 0.428 259 R N 3.904 124.317 120.500 -0.145 0.000 2.546 259 R HA 0.206 nan 4.340 nan 0.000 0.266 259 R C 0.638 176.924 176.300 -0.024 0.000 1.086 259 R CA -1.368 54.642 56.100 -0.151 0.000 1.160 259 R CB 0.585 30.638 30.300 -0.413 0.000 1.138 259 R HN 0.115 8.293 8.270 -0.153 0.000 0.567 260 G N -0.260 108.540 108.800 0.001 0.000 2.920 260 G HA2 -0.027 nan 3.960 nan 0.000 0.208 260 G HA3 -0.027 nan 3.960 nan 0.000 0.208 260 G C -1.461 173.440 174.900 0.001 0.000 1.159 260 G CA 0.398 45.502 45.100 0.008 0.000 0.784 260 G HN 0.474 8.762 8.290 -0.003 0.000 0.535 261 L N -2.561 118.665 121.223 0.006 0.000 2.322 261 L HA 0.319 nan 4.340 nan 0.000 0.269 261 L C -0.534 176.212 176.870 -0.207 0.000 1.012 261 L CA -1.599 53.116 54.840 -0.209 0.000 0.815 261 L CB 0.978 42.674 42.059 -0.606 0.000 1.295 261 L HN -0.788 7.428 8.230 0.113 0.082 0.438 262 D N 1.546 121.789 120.400 -0.261 0.000 2.349 262 D HA 0.085 nan 4.640 nan 0.000 0.214 262 D C 0.164 176.430 176.300 -0.057 0.000 1.063 262 D CA 1.814 55.756 54.000 -0.098 0.000 0.847 262 D CB 0.430 41.220 40.800 -0.016 0.000 0.933 262 D HN 0.171 8.376 8.370 -0.274 0.000 0.513 263 Y N -4.714 115.519 120.300 -0.111 0.000 2.523 263 Y HA 0.042 nan 4.550 nan 0.000 0.279 263 Y C -0.756 175.111 175.900 -0.055 0.000 1.139 263 Y CA -2.674 55.353 58.100 -0.122 0.000 1.296 263 Y CB -1.122 37.218 38.460 -0.200 0.000 1.045 263 Y HN -0.633 7.057 8.280 -0.985 0.000 0.538 264 Y N -0.418 120.066 120.300 0.307 0.000 2.480 264 Y HA -0.260 nan 4.550 nan 0.000 0.338 264 Y C -0.043 175.962 175.900 0.174 0.000 1.220 264 Y CA 1.133 59.400 58.100 0.279 0.000 1.430 264 Y CB 0.491 39.033 38.460 0.137 0.000 1.311 264 Y HN -0.485 7.719 8.280 -0.042 0.050 0.575 265 N N 2.499 121.399 118.700 0.332 0.000 2.833 265 N HA -0.001 nan 4.740 nan 0.000 0.168 265 N C 0.116 175.680 175.510 0.090 0.000 1.383 265 N CA -0.740 52.410 53.050 0.168 0.000 1.103 265 N CB 1.140 39.698 38.487 0.119 0.000 1.235 265 N HN -0.209 8.293 8.380 0.402 0.119 0.437 266 R N 1.852 122.366 120.500 0.023 0.000 2.104 266 R HA -0.134 nan 4.340 nan 0.000 0.219 266 R C 0.534 176.845 176.300 0.019 0.000 1.150 266 R CA 3.059 59.131 56.100 -0.047 0.000 0.900 266 R CB -0.075 30.087 30.300 -0.230 0.000 0.804 266 R HN 0.048 8.325 8.270 0.011 0.000 0.448 267 T N 1.280 115.892 114.554 0.096 0.000 2.928 267 T HA 0.125 nan 4.350 nan 0.000 0.305 267 T C -1.514 173.318 174.700 0.219 0.000 1.035 267 T CA 2.481 64.720 62.100 0.231 0.000 1.145 267 T CB 0.122 69.188 68.868 0.329 0.000 0.963 267 T HN -0.235 8.029 8.240 0.039 0.000 0.545 268 V N 6.638 126.674 119.914 0.203 0.000 2.891 268 V HA 0.852 nan 4.120 nan 0.000 0.304 268 V C -2.638 173.561 176.094 0.175 0.000 1.171 268 V CA -0.748 61.585 62.300 0.056 0.000 0.943 268 V CB 3.726 35.481 31.823 -0.113 0.000 1.037 268 V HN 0.221 8.552 8.190 0.235 0.000 0.427 269 F N 3.797 123.712 119.950 -0.059 0.000 2.741 269 F HA 0.904 nan 4.527 nan 0.000 0.313 269 F C -2.939 172.824 175.800 -0.062 0.000 1.153 269 F CA -1.769 56.190 58.000 -0.070 0.000 0.931 269 F CB 3.189 42.140 39.000 -0.082 0.000 1.335 269 F HN 0.885 8.947 8.300 -0.397 0.000 0.460 270 E N -2.010 118.220 120.200 0.049 0.000 2.354 270 E HA 0.408 nan 4.350 nan 0.000 0.283 270 E C -2.274 174.345 176.600 0.031 0.000 0.938 270 E CA -0.396 56.022 56.400 0.031 0.000 0.777 270 E CB 4.699 34.393 29.700 -0.009 0.000 1.222 270 E HN 0.067 8.476 8.360 0.082 0.000 0.423 271 W N 1.582 122.992 121.300 0.182 0.000 2.314 271 W HA 0.319 nan 4.660 nan 0.000 0.310 271 W C -1.050 175.481 176.519 0.020 0.000 1.075 271 W CA -0.259 57.172 57.345 0.144 0.000 1.253 271 W CB 1.150 30.766 29.460 0.260 0.000 1.238 271 W HN 1.008 9.340 8.180 0.448 0.117 0.440 272 V N 5.490 125.501 119.914 0.163 0.000 2.628 272 V HA 0.748 nan 4.120 nan 0.000 0.306 272 V C -1.753 174.355 176.094 0.023 0.000 1.045 272 V CA -1.881 60.459 62.300 0.066 0.000 0.905 272 V CB 3.075 34.916 31.823 0.028 0.000 0.997 272 V HN 0.820 9.091 8.190 0.136 0.000 0.436 273 T N 3.304 117.852 114.554 -0.009 0.000 2.856 273 T HA 0.515 nan 4.350 nan 0.000 0.283 273 T C 0.352 175.047 174.700 -0.008 0.000 1.008 273 T CA -1.686 60.400 62.100 -0.023 0.000 0.997 273 T CB 1.691 70.521 68.868 -0.063 0.000 0.992 273 T HN -0.032 8.204 8.240 -0.006 0.000 0.454 274 N N 6.004 124.708 118.700 0.007 0.000 2.422 274 N HA 0.101 nan 4.740 nan 0.000 0.181 274 N C 0.740 176.255 175.510 0.008 0.000 1.080 274 N CA 1.629 54.684 53.050 0.008 0.000 0.893 274 N CB 0.460 38.953 38.487 0.011 0.000 0.973 274 N HN 0.520 8.911 8.380 0.018 0.000 0.456 275 S N 0.124 115.829 115.700 0.008 0.000 2.660 275 S HA -0.120 nan 4.470 nan 0.000 0.228 275 S C -0.057 174.531 174.600 -0.021 0.000 0.966 275 S CA 0.678 58.872 58.200 -0.010 0.000 0.940 275 S CB 0.221 63.394 63.200 -0.045 0.000 0.773 275 S HN -0.501 7.776 8.310 0.013 0.041 0.535 276 L N -0.570 120.643 121.223 -0.018 0.000 3.851 276 L HA -0.297 nan 4.340 nan 0.000 0.438 276 L C 0.475 177.333 176.870 -0.021 0.000 1.171 276 L CA 0.436 55.265 54.840 -0.018 0.000 0.895 276 L CB -1.339 40.711 42.059 -0.015 0.000 1.800 276 L HN -0.442 7.651 8.230 -0.013 0.129 0.960 277 G N -2.603 106.178 108.800 -0.032 0.000 2.559 277 G HA2 -0.226 nan 3.960 nan 0.000 0.216 277 G HA3 -0.226 nan 3.960 nan 0.000 0.216 277 G C -0.999 173.895 174.900 -0.009 0.000 1.126 277 G CA 0.752 45.833 45.100 -0.031 0.000 0.778 277 G HN 0.503 8.740 8.290 -0.039 0.029 0.543 278 S N -2.732 112.960 115.700 -0.014 0.000 2.851 278 S HA 0.262 nan 4.470 nan 0.000 0.317 278 S C -0.521 174.064 174.600 -0.025 0.000 1.144 278 S CA -0.553 57.642 58.200 -0.008 0.000 0.862 278 S CB 1.319 64.518 63.200 -0.002 0.000 1.259 278 S HN -0.937 7.280 8.310 -0.022 0.080 0.564 279 Q N -0.477 119.299 119.800 -0.039 0.000 2.436 279 Q HA 0.038 nan 4.340 nan 0.000 0.209 279 Q C 0.361 176.343 176.000 -0.029 0.000 0.965 279 Q CA 1.517 57.292 55.803 -0.047 0.000 0.910 279 Q CB 0.447 29.147 28.738 -0.063 0.000 0.980 279 Q HN 0.581 8.827 8.270 -0.039 0.000 0.491 280 G N -3.307 105.481 108.800 -0.019 0.000 4.399 280 G HA2 -0.192 nan 3.960 nan 0.000 0.158 280 G HA3 -0.192 nan 3.960 nan 0.000 0.158 280 G C -1.847 173.055 174.900 0.004 0.000 1.911 280 G CA 0.121 45.214 45.100 -0.010 0.000 0.926 280 G HN -0.410 7.806 8.290 -0.017 0.063 0.292 281 T N 3.867 118.430 114.554 0.015 0.000 2.814 281 T HA 0.271 nan 4.350 nan 0.000 0.297 281 T C 0.526 175.268 174.700 0.070 0.000 0.956 281 T CA 0.216 62.345 62.100 0.047 0.000 1.123 281 T CB 0.224 69.120 68.868 0.045 0.000 0.902 281 T HN -0.474 7.769 8.240 0.004 0.000 0.528 282 V N 7.917 127.889 119.914 0.096 0.000 2.992 282 V HA 0.245 nan 4.120 nan 0.000 0.250 282 V C -1.305 174.924 176.094 0.226 0.000 1.090 282 V CA 1.711 64.074 62.300 0.105 0.000 1.101 282 V CB 1.015 32.831 31.823 -0.012 0.000 0.743 282 V HN 0.554 8.810 8.190 0.109 0.000 0.468 283 C N -2.094 117.398 119.300 0.320 0.000 2.783 283 C HA 0.743 nan 4.460 nan 0.000 0.312 283 C C -2.698 172.494 174.990 0.336 0.000 1.182 283 C CA -1.483 57.786 59.018 0.418 0.000 1.432 283 C CB 2.553 30.645 27.740 0.587 0.000 1.933 283 C HN -0.580 7.837 8.230 0.311 0.000 0.473 284 A N 5.641 128.591 122.820 0.218 0.000 2.547 284 A HA 0.902 nan 4.320 nan 0.000 0.297 284 A C -2.621 174.854 177.584 -0.183 0.000 1.056 284 A CA -0.684 51.318 52.037 -0.058 0.000 0.688 284 A CB 3.259 22.249 19.000 -0.016 0.000 1.282 284 A HN 0.390 8.724 8.150 0.307 0.000 0.400 285 G N -1.047 107.310 108.800 -0.739 0.000 2.561 285 G HA2 0.749 nan 3.960 nan 0.000 0.310 285 G HA3 0.749 nan 3.960 nan 0.000 0.310 285 G C -2.643 171.922 174.900 -0.559 0.000 1.292 285 G CA 0.158 44.990 45.100 -0.446 0.000 0.811 285 G HN 0.610 8.226 8.290 -1.125 0.000 0.482 286 G N -3.961 104.918 108.800 0.131 0.000 2.315 286 G HA2 0.253 nan 3.960 nan 0.000 0.294 286 G HA3 0.253 nan 3.960 nan 0.000 0.294 286 G C -2.071 173.202 174.900 0.622 0.000 1.300 286 G CA 0.433 45.722 45.100 0.316 0.000 0.843 286 G HN -0.384 8.159 8.290 0.423 0.000 0.527 287 R N 0.171 120.968 120.500 0.495 0.000 2.726 287 R HA 0.425 nan 4.340 nan 0.000 0.272 287 R C 0.046 176.689 176.300 0.571 0.000 1.097 287 R CA -0.102 56.225 56.100 0.380 0.000 1.198 287 R CB 1.075 31.492 30.300 0.196 0.000 1.114 287 R HN 0.682 9.077 8.270 0.388 0.108 0.550 288 Y N -4.606 115.800 120.300 0.177 0.000 3.064 288 Y HA 0.133 nan 4.550 nan 0.000 0.229 288 Y C -1.178 174.762 175.900 0.066 0.000 0.864 288 Y CA -1.282 56.889 58.100 0.118 0.000 1.141 288 Y CB -1.137 37.317 38.460 -0.010 0.000 1.175 288 Y HN 0.047 8.312 8.280 -0.024 0.000 0.572 289 D N 4.348 124.776 120.400 0.047 0.000 2.182 289 D HA -0.258 nan 4.640 nan 0.000 0.201 289 D C 1.348 177.686 176.300 0.063 0.000 0.986 289 D CA 4.017 58.021 54.000 0.005 0.000 0.847 289 D CB -0.406 40.404 40.800 0.017 0.000 0.942 289 D HN 0.432 9.288 8.370 0.091 -0.431 0.467 290 G N -3.999 104.866 108.800 0.107 0.000 2.838 290 G HA2 -0.011 nan 3.960 nan 0.000 0.210 290 G HA3 -0.011 nan 3.960 nan 0.000 0.210 290 G C 0.886 175.857 174.900 0.118 0.000 1.153 290 G CA 0.016 45.178 45.100 0.103 0.000 0.778 290 G HN -0.119 8.227 8.290 0.132 0.023 0.539 291 L N 2.204 123.526 121.223 0.165 0.000 2.079 291 L HA -0.327 nan 4.340 nan 0.000 0.210 291 L C 1.464 178.405 176.870 0.119 0.000 1.081 291 L CA 3.057 57.984 54.840 0.145 0.000 0.752 291 L CB -0.051 42.092 42.059 0.141 0.000 0.896 291 L HN -0.782 7.574 8.230 0.210 0.000 0.433 292 V N -3.258 116.744 119.914 0.147 0.000 2.427 292 V HA -0.475 nan 4.120 nan 0.000 0.248 292 V C 2.066 178.191 176.094 0.053 0.000 1.051 292 V CA 3.847 66.210 62.300 0.106 0.000 1.048 292 V CB -1.197 30.701 31.823 0.124 0.000 0.666 292 V HN 0.065 8.339 8.190 0.173 0.019 0.456 293 E N -0.025 120.209 120.200 0.057 0.000 2.046 293 E HA -0.371 nan 4.350 nan 0.000 0.190 293 E C 2.176 178.789 176.600 0.023 0.000 0.982 293 E CA 2.910 59.330 56.400 0.033 0.000 0.800 293 E CB -0.348 29.376 29.700 0.039 0.000 0.756 293 E HN -0.549 7.856 8.360 0.075 0.000 0.449 294 Q N 0.489 120.311 119.800 0.038 0.000 2.173 294 Q HA -0.306 nan 4.340 nan 0.000 0.208 294 Q C 2.116 178.124 176.000 0.012 0.000 0.989 294 Q CA 2.993 58.815 55.803 0.031 0.000 0.872 294 Q CB -0.139 28.629 28.738 0.050 0.000 0.909 294 Q HN -0.242 8.061 8.270 0.054 0.000 0.420 295 L N -3.750 117.477 121.223 0.007 0.000 2.627 295 L HA -0.057 nan 4.340 nan 0.000 0.232 295 L C 0.220 177.069 176.870 -0.034 0.000 1.150 295 L CA -0.294 54.535 54.840 -0.018 0.000 0.917 295 L CB -0.456 41.588 42.059 -0.024 0.000 1.104 295 L HN -0.592 7.632 8.230 0.022 0.018 0.445 296 G N -3.329 105.454 108.800 -0.028 0.000 2.131 296 G HA2 -0.282 nan 3.960 nan 0.000 0.223 296 G HA3 -0.282 nan 3.960 nan 0.000 0.223 296 G C -0.468 174.398 174.900 -0.056 0.000 0.990 296 G CA -0.290 44.784 45.100 -0.043 0.000 0.671 296 G HN 0.241 8.310 8.290 -0.014 0.212 0.521 297 G N -1.453 107.320 108.800 -0.045 0.000 2.932 297 G HA2 0.243 nan 3.960 nan 0.000 0.283 297 G HA3 0.243 nan 3.960 nan 0.000 0.283 297 G C -1.737 173.136 174.900 -0.046 0.000 1.336 297 G CA -1.360 43.703 45.100 -0.061 0.000 1.056 297 G HN -0.434 7.841 8.290 -0.025 0.000 0.522 298 R N -0.991 119.476 120.500 -0.056 0.000 2.340 298 R HA 0.002 nan 4.340 nan 0.000 0.300 298 R C -0.204 176.144 176.300 0.080 0.000 1.069 298 R CA -0.921 55.179 56.100 -0.001 0.000 0.984 298 R CB 0.781 31.067 30.300 -0.023 0.000 1.003 298 R HN 0.163 8.382 8.270 -0.084 0.000 0.459 299 A N 4.824 127.692 122.820 0.080 0.000 2.561 299 A HA -0.073 nan 4.320 nan 0.000 0.251 299 A C -1.322 176.324 177.584 0.103 0.000 1.062 299 A CA 0.887 52.974 52.037 0.084 0.000 0.761 299 A CB 0.607 19.649 19.000 0.070 0.000 0.986 299 A HN 0.395 8.585 8.150 0.066 0.000 0.510 300 T N 5.536 120.151 114.554 0.101 0.000 2.909 300 T HA 0.374 nan 4.350 nan 0.000 0.299 300 T C -2.863 171.890 174.700 0.090 0.000 1.073 300 T CA -2.333 59.831 62.100 0.106 0.000 0.999 300 T CB 2.479 71.428 68.868 0.135 0.000 1.098 300 T HN 0.267 8.566 8.240 0.100 0.000 0.477 301 P HA 0.300 nan 4.420 nan 0.000 0.276 301 P C -2.368 174.880 177.300 -0.087 0.000 1.252 301 P CA -0.782 62.313 63.100 -0.009 0.000 0.802 301 P CB 1.137 32.840 31.700 0.006 0.000 1.035 302 A N -2.022 120.608 122.820 -0.318 0.000 2.612 302 A HA 0.838 nan 4.320 nan 0.000 0.293 302 A C -2.488 174.620 177.584 -0.793 0.000 1.075 302 A CA -0.282 51.326 52.037 -0.715 0.000 0.680 302 A CB 3.289 21.604 19.000 -1.142 0.000 1.279 302 A HN -0.241 7.975 8.150 -0.282 -0.235 0.411 303 V N -4.450 115.119 119.914 -0.576 0.000 3.077 303 V HA 0.728 nan 4.120 nan 0.000 0.299 303 V C -1.707 174.503 176.094 0.194 0.000 1.276 303 V CA -1.313 60.969 62.300 -0.031 0.000 0.993 303 V CB 3.721 35.612 31.823 0.114 0.000 1.076 303 V HN -0.030 7.800 8.190 -0.600 0.000 0.434 304 G N 1.006 110.089 108.800 0.471 0.000 2.561 304 G HA2 0.928 nan 3.960 nan 0.000 0.310 304 G HA3 0.928 nan 3.960 nan 0.000 0.310 304 G C -3.431 171.760 174.900 0.486 0.000 1.292 304 G CA 0.470 45.779 45.100 0.348 0.000 0.811 304 G HN -0.133 8.510 8.290 0.588 0.000 0.482 305 F N -5.872 114.250 119.950 0.285 0.000 2.807 305 F HA 0.868 nan 4.527 nan 0.000 0.316 305 F C -3.279 172.660 175.800 0.232 0.000 1.162 305 F CA -1.585 56.561 58.000 0.244 0.000 0.910 305 F CB 2.375 41.574 39.000 0.332 0.000 1.314 305 F HN 0.421 8.619 8.300 -0.169 0.000 0.454 306 A N -2.549 120.616 122.820 0.575 0.000 2.549 306 A HA 0.856 nan 4.320 nan 0.000 0.297 306 A C -3.051 174.843 177.584 0.516 0.000 1.061 306 A CA -0.577 51.727 52.037 0.446 0.000 0.690 306 A CB 3.508 22.732 19.000 0.373 0.000 1.287 306 A HN 0.245 8.753 8.150 0.597 0.000 0.402 307 M N 1.221 121.089 119.600 0.448 0.000 2.464 307 M HA 0.657 nan 4.480 nan 0.000 0.308 307 M C -1.292 175.187 176.300 0.299 0.000 1.127 307 M CA -1.581 53.947 55.300 0.379 0.000 0.913 307 M CB 4.546 37.378 32.600 0.388 0.000 1.689 307 M HN 0.378 8.901 8.290 0.390 0.000 0.445 308 G N 2.975 111.936 108.800 0.267 0.000 2.448 308 G HA2 0.307 nan 3.960 nan 0.000 0.309 308 G HA3 0.307 nan 3.960 nan 0.000 0.309 308 G C -0.697 174.310 174.900 0.177 0.000 1.027 308 G CA -0.491 44.776 45.100 0.278 0.000 1.104 308 G HN 0.301 8.742 8.290 0.251 0.000 0.428 309 L N 5.897 127.225 121.223 0.175 0.000 2.042 309 L HA -0.561 nan 4.340 nan 0.000 0.210 309 L C 1.692 178.467 176.870 -0.159 0.000 1.076 309 L CA 3.695 58.510 54.840 -0.042 0.000 0.749 309 L CB -0.164 41.900 42.059 0.010 0.000 0.893 309 L HN 0.080 8.471 8.230 0.268 0.000 0.432 310 E N -1.545 118.774 120.200 0.200 0.000 2.085 310 E HA -0.383 nan 4.350 nan 0.000 0.194 310 E C 2.541 179.220 176.600 0.132 0.000 0.994 310 E CA 3.804 60.370 56.400 0.277 0.000 0.801 310 E CB -0.973 29.038 29.700 0.518 0.000 0.743 310 E HN 0.223 8.808 8.360 0.384 0.005 0.453 311 R N -1.107 119.474 120.500 0.135 0.000 2.081 311 R HA -0.305 nan 4.340 nan 0.000 0.235 311 R C 2.556 178.829 176.300 -0.046 0.000 1.131 311 R CA 2.855 58.992 56.100 0.063 0.000 0.960 311 R CB -0.429 29.911 30.300 0.067 0.000 0.856 311 R HN -0.734 7.648 8.270 0.187 0.000 0.436 312 L N 0.102 121.266 121.223 -0.100 0.000 1.976 312 L HA -0.288 nan 4.340 nan 0.000 0.209 312 L C 1.648 178.355 176.870 -0.271 0.000 1.071 312 L CA 3.358 58.087 54.840 -0.185 0.000 0.746 312 L CB -0.407 41.535 42.059 -0.195 0.000 0.890 312 L HN -0.126 7.992 8.230 -0.062 0.074 0.432 313 V N -0.801 118.868 119.914 -0.408 0.000 2.453 313 V HA -0.481 nan 4.120 nan 0.000 0.252 313 V C 2.327 178.287 176.094 -0.223 0.000 1.068 313 V CA 4.286 66.306 62.300 -0.468 0.000 1.070 313 V CB -1.260 30.059 31.823 -0.840 0.000 0.664 313 V HN 0.326 8.228 8.190 -0.480 0.000 0.461 314 L N -1.164 119.988 121.223 -0.118 0.000 2.044 314 L HA -0.203 nan 4.340 nan 0.000 0.205 314 L C 2.135 178.952 176.870 -0.089 0.000 1.075 314 L CA 2.977 57.793 54.840 -0.039 0.000 0.747 314 L CB -0.707 41.372 42.059 0.033 0.000 0.903 314 L HN -0.357 7.703 8.230 -0.112 0.103 0.435 315 L N -1.002 120.145 121.223 -0.128 0.000 2.131 315 L HA -0.329 nan 4.340 nan 0.000 0.210 315 L C 2.013 178.756 176.870 -0.212 0.000 1.092 315 L CA 3.154 57.894 54.840 -0.166 0.000 0.759 315 L CB -0.611 41.334 42.059 -0.190 0.000 0.903 315 L HN 0.069 8.043 8.230 -0.126 0.180 0.435 316 V N -0.225 119.546 119.914 -0.238 0.000 2.283 316 V HA -0.513 nan 4.120 nan 0.000 0.243 316 V C 2.097 178.059 176.094 -0.221 0.000 1.039 316 V CA 4.825 66.945 62.300 -0.300 0.000 1.016 316 V CB -0.635 30.926 31.823 -0.436 0.000 0.650 316 V HN 0.322 8.351 8.190 -0.235 0.020 0.449 317 Q N -1.242 118.471 119.800 -0.143 0.000 2.234 317 Q HA -0.407 nan 4.340 nan 0.000 0.206 317 Q C 1.942 177.908 176.000 -0.057 0.000 0.980 317 Q CA 2.888 58.659 55.803 -0.053 0.000 0.869 317 Q CB -0.297 28.438 28.738 -0.005 0.000 0.912 317 Q HN -0.195 7.983 8.270 -0.153 0.000 0.436 318 A N -1.246 121.517 122.820 -0.095 0.000 1.835 318 A HA -0.109 nan 4.320 nan 0.000 0.213 318 A C 1.497 178.996 177.584 -0.142 0.000 1.210 318 A CA 2.304 54.281 52.037 -0.100 0.000 0.605 318 A CB 0.175 19.109 19.000 -0.110 0.000 0.860 318 A HN -0.430 7.518 8.150 -0.118 0.131 0.447 319 V N -2.390 117.383 119.914 -0.234 0.000 2.515 319 V HA -0.229 nan 4.120 nan 0.000 0.250 319 V C 1.311 177.301 176.094 -0.173 0.000 1.058 319 V CA 2.807 64.914 62.300 -0.322 0.000 1.064 319 V CB 0.108 31.586 31.823 -0.576 0.000 0.675 319 V HN -0.417 7.624 8.190 -0.249 0.000 0.461 320 N N -1.703 116.918 118.700 -0.131 0.000 2.546 320 N HA 0.320 nan 4.740 nan 0.000 0.286 320 N C -1.253 174.264 175.510 0.013 0.000 1.259 320 N CA -0.791 52.230 53.050 -0.048 0.000 0.939 320 N CB 0.261 38.704 38.487 -0.072 0.000 1.243 320 N HN -0.286 7.997 8.380 -0.161 0.000 0.511 321 P HA -0.292 nan 4.420 nan 0.000 0.238 321 P C -0.561 176.768 177.300 0.048 0.000 1.056 321 P CA 2.054 65.164 63.100 0.016 0.000 1.038 321 P CB -0.269 31.439 31.700 0.013 0.000 0.721 322 E N -0.859 119.383 120.200 0.070 0.000 2.795 322 E HA 0.120 nan 4.350 nan 0.000 0.226 322 E C -1.543 175.141 176.600 0.140 0.000 1.088 322 E CA -1.435 55.016 56.400 0.084 0.000 0.812 322 E CB 0.362 30.091 29.700 0.049 0.000 1.328 322 E HN 0.107 8.479 8.360 0.066 0.028 0.410 323 F N 5.504 125.446 119.950 -0.013 0.000 2.384 323 F HA 0.114 nan 4.527 nan 0.000 0.359 323 F C -0.961 174.835 175.800 -0.006 0.000 1.143 323 F CA -1.068 56.922 58.000 -0.016 0.000 1.216 323 F CB -0.091 38.890 39.000 -0.032 0.000 1.512 323 F HN -0.140 8.311 8.300 0.250 0.000 0.573 324 K N 6.957 127.293 120.400 -0.106 0.000 2.249 324 K HA 0.052 nan 4.320 nan 0.000 0.280 324 K C -1.032 175.442 176.600 -0.210 0.000 1.033 324 K CA -0.699 55.525 56.287 -0.105 0.000 0.946 324 K CB 1.312 33.778 32.500 -0.058 0.000 1.005 324 K HN -0.253 7.925 8.250 -0.092 0.017 0.469 325 A N 3.845 126.590 122.820 -0.125 0.000 2.294 325 A HA 0.148 nan 4.320 nan 0.000 0.330 325 A C -1.200 176.347 177.584 -0.061 0.000 1.133 325 A CA -1.049 50.916 52.037 -0.120 0.000 0.836 325 A CB 1.181 20.149 19.000 -0.053 0.000 1.190 325 A HN 0.136 8.252 8.150 -0.057 0.000 0.492 326 D N 0.443 120.813 120.400 -0.051 0.000 2.362 326 D HA 0.112 nan 4.640 nan 0.000 0.242 326 D C -1.815 174.493 176.300 0.013 0.000 1.132 326 D CA -1.411 52.577 54.000 -0.019 0.000 0.907 326 D CB -0.984 39.804 40.800 -0.020 0.000 1.195 326 D HN -0.141 8.189 8.370 -0.067 0.000 0.429 327 P HA -0.023 nan 4.420 nan 0.000 0.269 327 P C 0.109 177.451 177.300 0.069 0.000 1.217 327 P CA -0.221 62.917 63.100 0.064 0.000 0.783 327 P CB 0.636 32.380 31.700 0.074 0.000 0.898 328 V N -6.134 113.842 119.914 0.104 0.000 3.129 328 V HA 0.117 nan 4.120 nan 0.000 0.259 328 V C -0.201 175.924 176.094 0.051 0.000 1.116 328 V CA 0.715 63.065 62.300 0.083 0.000 1.127 328 V CB -0.069 31.827 31.823 0.121 0.000 0.742 328 V HN 0.411 8.686 8.190 0.142 0.000 0.474 329 V N -0.435 119.533 119.914 0.090 0.000 2.525 329 V HA 0.179 nan 4.120 nan 0.000 0.299 329 V C -1.090 175.057 176.094 0.088 0.000 1.034 329 V CA -0.405 61.935 62.300 0.068 0.000 0.863 329 V CB 1.834 33.711 31.823 0.090 0.000 0.999 329 V HN -0.647 7.577 8.190 0.133 0.046 0.423 330 D N 5.507 125.941 120.400 0.057 0.000 2.414 330 D HA 0.245 nan 4.640 nan 0.000 0.237 330 D C -0.045 176.298 176.300 0.072 0.000 0.975 330 D CA 2.495 56.529 54.000 0.056 0.000 0.917 330 D CB 2.423 43.242 40.800 0.032 0.000 1.061 330 D HN 0.321 8.603 8.370 0.032 0.107 0.480 331 I N -1.686 118.919 120.570 0.059 0.000 2.406 331 I HA 0.287 nan 4.170 nan 0.000 0.290 331 I C -2.366 173.801 176.117 0.083 0.000 0.999 331 I CA -0.340 61.000 61.300 0.066 0.000 1.124 331 I CB 2.456 40.468 38.000 0.020 0.000 1.289 331 I HN 0.079 8.310 8.210 0.034 0.000 0.441 332 Y N 7.825 128.142 120.300 0.028 0.000 2.341 332 Y HA 0.515 nan 4.550 nan 0.000 0.337 332 Y C -2.212 173.709 175.900 0.034 0.000 1.014 332 Y CA -1.940 56.180 58.100 0.033 0.000 1.111 332 Y CB 3.035 41.564 38.460 0.115 0.000 1.194 332 Y HN 0.357 8.777 8.280 0.233 0.000 0.462 333 L N 8.133 129.003 121.223 -0.589 0.000 2.287 333 L HA 0.380 nan 4.340 nan 0.000 0.280 333 L C -1.599 175.082 176.870 -0.316 0.000 1.055 333 L CA -1.217 53.419 54.840 -0.340 0.000 0.863 333 L CB 0.947 42.830 42.059 -0.293 0.000 1.245 333 L HN 0.677 8.321 8.230 -0.977 0.000 0.432 334 V N 6.487 126.365 119.914 -0.059 0.000 2.775 334 V HA 0.232 nan 4.120 nan 0.000 0.299 334 V C -1.348 174.752 176.094 0.009 0.000 1.062 334 V CA -0.162 62.150 62.300 0.020 0.000 1.063 334 V CB 0.256 32.070 31.823 -0.015 0.000 0.994 334 V HN -0.138 8.067 8.190 0.024 0.000 0.483 335 A N 6.333 129.210 122.820 0.095 0.000 2.458 335 A HA 0.178 nan 4.320 nan 0.000 0.304 335 A C -2.371 175.283 177.584 0.118 0.000 1.026 335 A CA 0.569 52.672 52.037 0.111 0.000 1.021 335 A CB 1.423 20.417 19.000 -0.010 0.000 1.479 335 A HN -0.101 8.358 8.150 0.124 -0.235 0.385 336 S N 2.886 118.696 115.700 0.185 0.000 2.526 336 S HA 0.281 nan 4.470 nan 0.000 0.293 336 S C -0.525 174.051 174.600 -0.040 0.000 1.092 336 S CA -1.284 56.895 58.200 -0.036 0.000 0.980 336 S CB 0.884 63.881 63.200 -0.339 0.000 1.048 336 S HN -0.129 8.410 8.310 0.382 0.000 0.483 337 G N 2.259 111.022 108.800 -0.061 0.000 2.351 337 G HA2 -0.166 nan 3.960 nan 0.000 0.353 337 G HA3 -0.166 nan 3.960 nan 0.000 0.353 337 G C -2.168 172.717 174.900 -0.025 0.000 1.358 337 G CA -0.559 44.517 45.100 -0.040 0.000 0.995 337 G HN 0.020 8.269 8.290 -0.068 0.000 0.611 338 A N -0.426 122.383 122.820 -0.019 0.000 2.505 338 A HA -0.107 nan 4.320 nan 0.000 0.271 338 A C -0.168 177.412 177.584 -0.007 0.000 1.112 338 A CA 0.920 52.949 52.037 -0.013 0.000 0.781 338 A CB -0.589 18.404 19.000 -0.011 0.000 1.059 338 A HN 0.293 8.432 8.150 -0.019 0.000 0.508 339 D N 0.941 121.336 120.400 -0.007 0.000 2.870 339 D HA -0.316 nan 4.640 nan 0.000 0.228 339 D C 0.555 176.852 176.300 -0.005 0.000 1.147 339 D CA 1.100 55.097 54.000 -0.004 0.000 0.757 339 D CB -1.971 38.827 40.800 -0.003 0.000 1.091 339 D HN 0.518 8.882 8.370 -0.009 0.000 0.429 340 T N 0.112 114.662 114.554 -0.006 0.000 2.896 340 T HA -0.209 nan 4.350 nan 0.000 0.263 340 T C 1.476 176.165 174.700 -0.019 0.000 1.050 340 T CA 3.517 65.614 62.100 -0.006 0.000 1.140 340 T CB 0.062 68.931 68.868 0.003 0.000 0.877 340 T HN -0.539 7.667 8.240 -0.008 0.028 0.457 341 Q N 0.796 120.581 119.800 -0.024 0.000 2.133 341 Q HA -0.428 nan 4.340 nan 0.000 0.208 341 Q C 2.155 178.136 176.000 -0.031 0.000 0.991 341 Q CA 3.709 59.489 55.803 -0.039 0.000 0.867 341 Q CB -0.861 27.864 28.738 -0.022 0.000 0.911 341 Q HN 0.476 8.735 8.270 -0.017 0.000 0.417 342 S N -1.414 114.277 115.700 -0.014 0.000 2.399 342 S HA -0.264 nan 4.470 nan 0.000 0.231 342 S C 1.568 176.158 174.600 -0.017 0.000 1.022 342 S CA 2.367 60.561 58.200 -0.010 0.000 0.983 342 S CB -0.526 62.672 63.200 -0.003 0.000 0.803 342 S HN 0.105 8.410 8.310 -0.009 0.000 0.480 343 A N 1.203 124.012 122.820 -0.019 0.000 1.845 343 A HA -0.248 nan 4.320 nan 0.000 0.215 343 A C 1.525 179.089 177.584 -0.033 0.000 1.195 343 A CA 2.808 54.833 52.037 -0.020 0.000 0.616 343 A CB -1.024 17.968 19.000 -0.014 0.000 0.832 343 A HN -0.384 7.664 8.150 -0.016 0.092 0.443 344 A N -1.219 121.573 122.820 -0.047 0.000 1.892 344 A HA -0.414 nan 4.320 nan 0.000 0.218 344 A C 2.199 179.731 177.584 -0.087 0.000 1.188 344 A CA 3.140 55.131 52.037 -0.075 0.000 0.631 344 A CB -0.772 18.165 19.000 -0.105 0.000 0.822 344 A HN 0.178 8.304 8.150 -0.041 0.000 0.447 345 M N -2.452 117.100 119.600 -0.080 0.000 2.213 345 M HA -0.387 nan 4.480 nan 0.000 0.263 345 M C 2.092 178.369 176.300 -0.039 0.000 1.062 345 M CA 3.630 58.893 55.300 -0.061 0.000 1.105 345 M CB 0.077 32.663 32.600 -0.024 0.000 1.385 345 M HN 0.330 8.469 8.290 -0.072 0.107 0.417 346 A N -0.028 122.773 122.820 -0.031 0.000 1.872 346 A HA -0.185 nan 4.320 nan 0.000 0.214 346 A C 1.744 179.313 177.584 -0.026 0.000 1.187 346 A CA 2.928 54.952 52.037 -0.022 0.000 0.614 346 A CB -0.768 18.222 19.000 -0.016 0.000 0.826 346 A HN -0.322 7.698 8.150 -0.032 0.110 0.442 347 L N -0.860 120.344 121.223 -0.032 0.000 2.083 347 L HA -0.345 nan 4.340 nan 0.000 0.209 347 L C 1.531 178.378 176.870 -0.038 0.000 1.083 347 L CA 2.531 57.352 54.840 -0.032 0.000 0.752 347 L CB -0.742 41.296 42.059 -0.035 0.000 0.899 347 L HN 0.292 8.500 8.230 -0.035 0.000 0.433 348 A N -1.271 121.518 122.820 -0.052 0.000 1.908 348 A HA -0.359 nan 4.320 nan 0.000 0.218 348 A C 2.202 179.762 177.584 -0.040 0.000 1.181 348 A CA 3.440 55.442 52.037 -0.058 0.000 0.627 348 A CB -1.023 17.928 19.000 -0.081 0.000 0.818 348 A HN 0.211 8.321 8.150 -0.058 0.005 0.445 349 E N -2.167 118.015 120.200 -0.031 0.000 2.077 349 E HA -0.345 nan 4.350 nan 0.000 0.193 349 E C 2.490 179.080 176.600 -0.018 0.000 0.989 349 E CA 2.810 59.197 56.400 -0.021 0.000 0.800 349 E CB -0.391 29.300 29.700 -0.015 0.000 0.746 349 E HN -0.481 7.780 8.360 -0.032 0.080 0.452 350 R N 0.039 120.529 120.500 -0.017 0.000 2.070 350 R HA -0.269 nan 4.340 nan 0.000 0.233 350 R C 2.440 178.733 176.300 -0.013 0.000 1.137 350 R CA 3.210 59.303 56.100 -0.013 0.000 0.945 350 R CB -0.083 30.210 30.300 -0.012 0.000 0.845 350 R HN -0.417 7.841 8.270 -0.020 0.000 0.430 351 L N -2.566 118.647 121.223 -0.017 0.000 2.187 351 L HA -0.356 nan 4.340 nan 0.000 0.213 351 L C 2.626 179.487 176.870 -0.014 0.000 1.100 351 L CA 2.864 57.695 54.840 -0.015 0.000 0.765 351 L CB -0.590 41.456 42.059 -0.022 0.000 0.904 351 L HN 0.215 8.432 8.230 -0.021 0.000 0.437 352 R N -1.464 119.026 120.500 -0.018 0.000 2.093 352 R HA -0.255 nan 4.340 nan 0.000 0.224 352 R C 1.521 177.815 176.300 -0.010 0.000 1.101 352 R CA 3.023 59.114 56.100 -0.015 0.000 0.979 352 R CB -0.251 30.038 30.300 -0.019 0.000 0.877 352 R HN -0.547 7.574 8.270 -0.020 0.137 0.441 353 D N -1.888 118.507 120.400 -0.008 0.000 2.144 353 D HA -0.062 nan 4.640 nan 0.000 0.200 353 D C 1.303 177.601 176.300 -0.003 0.000 0.978 353 D CA 2.218 56.215 54.000 -0.005 0.000 0.833 353 D CB 0.117 40.914 40.800 -0.005 0.000 0.961 353 D HN -0.584 7.692 8.370 -0.010 0.088 0.470 354 E N -1.844 118.354 120.200 -0.003 0.000 2.170 354 E HA -0.032 nan 4.350 nan 0.000 0.191 354 E C 0.531 177.131 176.600 -0.000 0.000 0.981 354 E CA 1.666 58.065 56.400 -0.001 0.000 0.830 354 E CB 1.158 30.858 29.700 0.000 0.000 0.775 354 E HN -0.346 7.998 8.360 -0.005 0.013 0.470 355 L N -0.488 120.735 121.223 -0.001 0.000 2.843 355 L HA 0.406 nan 4.340 nan 0.000 0.234 355 L C -2.606 174.263 176.870 -0.002 0.000 1.264 355 L CA -3.025 51.815 54.840 -0.000 0.000 1.052 355 L CB -0.172 41.888 42.059 0.001 0.000 1.372 355 L HN -0.426 7.693 8.230 -0.004 0.108 0.466 356 P HA -0.090 nan 4.420 nan 0.000 0.265 356 P C 0.462 177.762 177.300 -0.000 0.000 1.193 356 P CA 1.112 64.211 63.100 -0.001 0.000 0.765 356 P CB 0.115 31.815 31.700 0.001 0.000 0.823 357 G N 1.528 110.327 108.800 -0.001 0.000 2.254 357 G HA2 -0.329 nan 3.960 nan 0.000 0.225 357 G HA3 -0.329 nan 3.960 nan 0.000 0.225 357 G C -0.735 174.165 174.900 -0.000 0.000 1.003 357 G CA -0.264 44.836 45.100 0.000 0.000 0.622 357 G HN 0.396 8.685 8.290 -0.002 0.000 0.507 358 V N -2.194 117.719 119.914 -0.002 0.000 2.785 358 V HA 0.253 nan 4.120 nan 0.000 0.300 358 V C -0.665 175.425 176.094 -0.007 0.000 1.062 358 V CA -1.599 60.701 62.300 -0.001 0.000 1.029 358 V CB 0.362 32.186 31.823 0.001 0.000 1.024 358 V HN -0.501 7.619 8.190 -0.002 0.069 0.477 359 K N 4.211 124.608 120.400 -0.006 0.000 2.292 359 K HA 0.321 nan 4.320 nan 0.000 0.270 359 K C -1.853 174.732 176.600 -0.026 0.000 1.062 359 K CA -1.080 55.197 56.287 -0.018 0.000 0.916 359 K CB 0.809 33.303 32.500 -0.009 0.000 1.166 359 K HN 0.124 8.657 8.250 0.002 -0.282 0.458 360 L N 4.704 125.899 121.223 -0.048 0.000 2.325 360 L HA 0.696 nan 4.340 nan 0.000 0.281 360 L C -1.832 174.967 176.870 -0.117 0.000 1.004 360 L CA -1.161 53.638 54.840 -0.068 0.000 0.823 360 L CB 2.787 44.810 42.059 -0.060 0.000 1.236 360 L HN 0.498 8.699 8.230 -0.048 0.000 0.415 361 M N 8.212 127.710 119.600 -0.169 0.000 2.167 361 M HA 0.457 nan 4.480 nan 0.000 0.333 361 M C -2.095 173.958 176.300 -0.412 0.000 1.030 361 M CA -0.908 54.240 55.300 -0.254 0.000 0.963 361 M CB 3.620 36.037 32.600 -0.306 0.000 1.589 361 M HN 0.606 8.816 8.290 -0.134 0.000 0.431 362 T N 8.262 122.630 114.554 -0.309 0.000 2.729 362 T HA 0.138 nan 4.350 nan 0.000 0.296 362 T C -0.550 173.888 174.700 -0.436 0.000 0.928 362 T CA -0.233 61.624 62.100 -0.403 0.000 1.045 362 T CB -0.260 68.416 68.868 -0.321 0.000 0.902 362 T HN 0.313 8.443 8.240 -0.184 0.000 0.500 363 N N 6.965 125.332 118.700 -0.555 0.000 2.416 363 N HA -0.157 nan 4.740 nan 0.000 0.246 363 N C -1.095 174.293 175.510 -0.202 0.000 1.260 363 N CA 1.139 54.087 53.050 -0.170 0.000 0.897 363 N CB 1.056 39.547 38.487 0.007 0.000 1.110 363 N HN -0.175 7.773 8.380 -0.720 0.000 0.439 364 H N 3.249 122.359 119.070 0.065 0.000 2.977 364 H HA 0.192 nan 4.556 nan 0.000 0.350 364 H C 0.049 175.412 175.328 0.058 0.000 1.238 364 H CA -0.121 55.951 56.048 0.040 0.000 1.124 364 H CB 3.984 33.763 29.762 0.028 0.000 1.866 364 H HN 0.418 8.864 8.280 0.277 0.000 0.550 365 G N 0.358 109.272 108.800 0.190 0.000 2.246 365 G HA2 -0.371 nan 3.960 nan 0.000 0.273 365 G HA3 -0.371 nan 3.960 nan 0.000 0.273 365 G C 0.412 175.354 174.900 0.070 0.000 1.055 365 G CA -0.089 45.076 45.100 0.109 0.000 0.851 365 G HN 0.531 8.952 8.290 0.219 0.000 0.500 366 G N -1.838 106.992 108.800 0.050 0.000 2.581 366 G HA2 -0.400 nan 3.960 nan 0.000 0.291 366 G HA3 -0.400 nan 3.960 nan 0.000 0.291 366 G C -1.281 173.629 174.900 0.016 0.000 1.277 366 G CA 0.330 45.439 45.100 0.014 0.000 0.959 366 G HN -0.219 8.104 8.290 0.055 0.000 0.554 367 G N -2.948 105.841 108.800 -0.018 0.000 2.576 367 G HA2 -0.235 nan 3.960 nan 0.000 0.686 367 G HA3 -0.235 nan 3.960 nan 0.000 0.686 367 G C -2.638 172.212 174.900 -0.083 0.000 1.242 367 G CA -0.912 44.173 45.100 -0.025 0.000 0.819 367 G HN -0.122 8.147 8.290 -0.036 0.000 0.655 368 N N -2.152 116.490 118.700 -0.097 0.000 2.483 368 N HA 0.133 nan 4.740 nan 0.000 0.269 368 N C 1.167 176.601 175.510 -0.128 0.000 1.209 368 N CA -1.097 51.847 53.050 -0.176 0.000 0.969 368 N CB 0.732 39.145 38.487 -0.123 0.000 1.173 368 N HN -0.039 8.304 8.380 -0.061 0.000 0.475 369 F N 0.161 119.993 119.950 -0.196 0.000 2.184 369 F HA -0.439 nan 4.527 nan 0.000 0.301 369 F C 1.953 177.479 175.800 -0.457 0.000 1.076 369 F CA 2.651 60.370 58.000 -0.468 0.000 1.295 369 F CB -0.443 38.345 39.000 -0.354 0.000 1.026 369 F HN 0.377 8.384 8.300 -0.488 0.000 0.494 370 K N -0.568 119.865 120.400 0.054 0.000 2.026 370 K HA -0.347 nan 4.320 nan 0.000 0.208 370 K C 2.234 178.872 176.600 0.063 0.000 1.048 370 K CA 3.322 59.680 56.287 0.117 0.000 0.929 370 K CB -0.392 32.167 32.500 0.098 0.000 0.713 370 K HN 0.103 8.407 8.250 0.055 -0.021 0.439 371 K N -0.923 119.484 120.400 0.013 0.000 1.985 371 K HA -0.366 nan 4.320 nan 0.000 0.210 371 K C 2.558 179.164 176.600 0.010 0.000 1.047 371 K CA 3.379 59.673 56.287 0.011 0.000 0.932 371 K CB -0.135 32.368 32.500 0.005 0.000 0.716 371 K HN -0.088 8.403 8.250 -0.004 -0.242 0.439 372 Q N -1.115 118.680 119.800 -0.009 0.000 2.077 372 Q HA -0.334 nan 4.340 nan 0.000 0.206 372 Q C 2.743 178.749 176.000 0.010 0.000 0.989 372 Q CA 3.236 59.055 55.803 0.028 0.000 0.853 372 Q CB -0.073 28.693 28.738 0.046 0.000 0.907 372 Q HN -0.346 7.906 8.270 -0.030 0.000 0.418 373 F N -1.773 118.234 119.950 0.096 0.000 2.216 373 F HA -0.311 nan 4.527 nan 0.000 0.300 373 F C 1.723 177.499 175.800 -0.041 0.000 1.085 373 F CA 2.233 60.254 58.000 0.036 0.000 1.326 373 F CB -1.273 37.755 39.000 0.047 0.000 1.027 373 F HN 0.255 8.428 8.300 -0.212 0.000 0.497 374 A N -0.471 122.424 122.820 0.124 0.000 1.873 374 A HA -0.265 nan 4.320 nan 0.000 0.215 374 A C 2.200 179.732 177.584 -0.087 0.000 1.186 374 A CA 3.179 55.227 52.037 0.020 0.000 0.616 374 A CB -0.734 18.272 19.000 0.009 0.000 0.823 374 A HN -0.587 7.537 8.150 0.126 0.101 0.442 375 R N -1.444 118.976 120.500 -0.134 0.000 2.105 375 R HA -0.414 nan 4.340 nan 0.000 0.239 375 R C 2.215 178.303 176.300 -0.354 0.000 1.135 375 R CA 3.246 59.198 56.100 -0.246 0.000 0.967 375 R CB -0.188 30.036 30.300 -0.128 0.000 0.861 375 R HN -0.002 8.150 8.270 -0.076 0.073 0.442 376 A N -0.790 121.751 122.820 -0.466 0.000 1.883 376 A HA -0.293 nan 4.320 nan 0.000 0.217 376 A C 1.937 179.508 177.584 -0.021 0.000 1.186 376 A CA 3.181 55.038 52.037 -0.300 0.000 0.624 376 A CB -1.018 17.964 19.000 -0.030 0.000 0.822 376 A HN 0.087 7.918 8.150 -0.382 0.090 0.444 377 D N -1.639 118.737 120.400 -0.040 0.000 2.123 377 D HA -0.295 nan 4.640 nan 0.000 0.196 377 D C 3.097 179.356 176.300 -0.069 0.000 0.992 377 D CA 3.087 57.071 54.000 -0.026 0.000 0.833 377 D CB -0.516 40.266 40.800 -0.030 0.000 0.954 377 D HN -0.428 7.835 8.370 -0.043 0.081 0.455 378 K N 0.501 120.789 120.400 -0.188 0.000 2.044 378 K HA -0.290 nan 4.320 nan 0.000 0.210 378 K C 1.883 178.306 176.600 -0.295 0.000 1.049 378 K CA 2.911 58.994 56.287 -0.339 0.000 0.927 378 K CB 0.062 32.196 32.500 -0.610 0.000 0.713 378 K HN -0.355 7.689 8.250 -0.202 0.084 0.443 379 W N -5.062 116.205 121.300 -0.055 0.000 2.800 379 W HA -0.044 nan 4.660 nan 0.000 0.249 379 W C -0.480 176.043 176.519 0.007 0.000 1.294 379 W CA 0.301 57.642 57.345 -0.007 0.000 1.402 379 W CB 0.351 29.827 29.460 0.026 0.000 1.126 379 W HN -0.566 7.520 8.180 -0.156 0.000 0.652 380 G N -4.298 104.612 108.800 0.184 0.000 2.171 380 G HA2 -0.494 nan 3.960 nan 0.000 0.238 380 G HA3 -0.494 nan 3.960 nan 0.000 0.238 380 G C -1.052 173.927 174.900 0.132 0.000 1.039 380 G CA -0.370 44.804 45.100 0.123 0.000 0.759 380 G HN -0.577 7.604 8.290 0.122 0.182 0.501 381 A N -1.856 121.064 122.820 0.167 0.000 2.440 381 A HA 0.031 nan 4.320 nan 0.000 0.251 381 A C 0.023 177.669 177.584 0.102 0.000 1.089 381 A CA -0.190 51.940 52.037 0.156 0.000 0.779 381 A CB 0.573 19.712 19.000 0.231 0.000 1.022 381 A HN -0.595 7.672 8.150 0.196 0.000 0.492 382 R N 2.318 122.864 120.500 0.077 0.000 2.210 382 R HA 0.092 nan 4.340 nan 0.000 0.203 382 R C -0.824 175.501 176.300 0.041 0.000 1.010 382 R CA 1.598 57.727 56.100 0.049 0.000 1.008 382 R CB 1.161 31.483 30.300 0.037 0.000 0.923 382 R HN 0.275 8.501 8.270 0.078 0.091 0.469 383 V N -3.710 116.239 119.914 0.058 0.000 2.962 383 V HA 0.570 nan 4.120 nan 0.000 0.313 383 V C -2.453 173.692 176.094 0.085 0.000 1.099 383 V CA -1.700 60.628 62.300 0.047 0.000 0.971 383 V CB 4.301 36.147 31.823 0.037 0.000 1.028 383 V HN -0.588 7.614 8.190 0.076 0.033 0.430 384 A N 3.119 125.981 122.820 0.070 0.000 2.359 384 A HA 0.865 nan 4.320 nan 0.000 0.303 384 A C -2.522 175.101 177.584 0.065 0.000 1.066 384 A CA -1.565 50.554 52.037 0.136 0.000 0.730 384 A CB 2.792 21.940 19.000 0.246 0.000 1.211 384 A HN 0.802 8.965 8.150 0.021 0.000 0.439 385 V N 0.911 120.848 119.914 0.039 0.000 2.318 385 V HA 0.665 nan 4.120 nan 0.000 0.271 385 V C -1.108 174.981 176.094 -0.009 0.000 1.030 385 V CA -2.153 60.140 62.300 -0.010 0.000 0.844 385 V CB -0.282 31.521 31.823 -0.033 0.000 1.015 385 V HN -0.106 8.109 8.190 0.041 0.000 0.460 386 V N 8.379 128.280 119.914 -0.021 0.000 2.649 386 V HA 0.327 nan 4.120 nan 0.000 0.292 386 V C -1.434 174.621 176.094 -0.064 0.000 1.055 386 V CA -0.278 61.977 62.300 -0.075 0.000 1.023 386 V CB 0.485 32.194 31.823 -0.190 0.000 0.992 386 V HN 0.776 8.948 8.190 -0.029 0.000 0.480 387 L N 7.670 128.880 121.223 -0.022 0.000 2.481 387 L HA 0.364 nan 4.340 nan 0.000 0.255 387 L C -1.348 175.584 176.870 0.104 0.000 1.192 387 L CA -0.373 54.480 54.840 0.021 0.000 0.924 387 L CB 1.653 43.711 42.059 -0.001 0.000 1.179 387 L HN -0.276 7.859 8.230 -0.007 0.091 0.491 388 G N 0.977 109.869 108.800 0.152 0.000 2.535 388 G HA2 0.080 nan 3.960 nan 0.000 0.282 388 G HA3 0.080 nan 3.960 nan 0.000 0.282 388 G C -0.289 174.674 174.900 0.106 0.000 1.350 388 G CA -1.117 44.118 45.100 0.225 0.000 1.039 388 G HN -0.462 7.980 8.290 0.097 -0.094 0.509 389 E N 0.381 120.631 120.200 0.083 0.000 2.150 389 E HA -0.323 nan 4.350 nan 0.000 0.193 389 E C 2.215 178.837 176.600 0.037 0.000 0.985 389 E CA 3.473 59.899 56.400 0.043 0.000 0.814 389 E CB -0.087 29.629 29.700 0.026 0.000 0.752 389 E HN 0.483 8.900 8.360 0.096 0.000 0.466 390 S N 0.738 116.466 115.700 0.047 0.000 2.343 390 S HA -0.273 nan 4.470 nan 0.000 0.219 390 S C 1.929 176.545 174.600 0.027 0.000 1.033 390 S CA 3.686 61.907 58.200 0.035 0.000 1.014 390 S CB -0.515 62.710 63.200 0.041 0.000 0.915 390 S HN 0.142 8.490 8.310 0.064 0.000 0.435 391 E N 0.757 120.976 120.200 0.031 0.000 2.187 391 E HA -0.283 nan 4.350 nan 0.000 0.199 391 E C 2.216 178.823 176.600 0.012 0.000 1.004 391 E CA 2.959 59.369 56.400 0.017 0.000 0.813 391 E CB -0.799 28.910 29.700 0.015 0.000 0.736 391 E HN 0.302 8.689 8.360 0.044 0.000 0.468 392 V N -1.503 118.421 119.914 0.016 0.000 2.307 392 V HA -0.286 nan 4.120 nan 0.000 0.245 392 V C 2.336 178.434 176.094 0.007 0.000 1.045 392 V CA 3.841 66.147 62.300 0.009 0.000 1.024 392 V CB -1.135 30.694 31.823 0.011 0.000 0.651 392 V HN -0.572 7.511 8.190 0.024 0.121 0.449 393 A N 0.735 123.561 122.820 0.010 0.000 1.858 393 A HA -0.219 nan 4.320 nan 0.000 0.216 393 A C 1.482 179.070 177.584 0.007 0.000 1.190 393 A CA 2.991 55.033 52.037 0.008 0.000 0.617 393 A CB -0.542 18.463 19.000 0.010 0.000 0.827 393 A HN -0.063 8.027 8.150 0.014 0.069 0.443 394 N N -4.408 114.297 118.700 0.008 0.000 2.571 394 N HA -0.071 nan 4.740 nan 0.000 0.189 394 N C 0.555 176.067 175.510 0.004 0.000 1.154 394 N CA 0.076 53.130 53.050 0.006 0.000 0.907 394 N CB 0.028 38.520 38.487 0.007 0.000 0.977 394 N HN -0.105 8.175 8.380 0.011 0.107 0.449 395 G N -0.078 108.724 108.800 0.003 0.000 2.187 395 G HA2 -0.322 nan 3.960 nan 0.000 0.261 395 G HA3 -0.322 nan 3.960 nan 0.000 0.261 395 G C -0.784 174.115 174.900 -0.002 0.000 1.000 395 G CA 1.112 46.212 45.100 0.000 0.000 0.718 395 G HN -0.378 7.721 8.290 0.004 0.194 0.519 396 T N -3.165 111.387 114.554 -0.003 0.000 2.864 396 T HA 0.862 nan 4.350 nan 0.000 0.276 396 T C -1.512 173.179 174.700 -0.015 0.000 1.006 396 T CA -2.646 59.448 62.100 -0.009 0.000 0.970 396 T CB 2.875 71.737 68.868 -0.010 0.000 1.420 396 T HN -0.714 7.483 8.240 -0.000 0.043 0.601 397 A N -2.242 120.561 122.820 -0.028 0.000 2.555 397 A HA 0.279 nan 4.320 nan 0.000 0.297 397 A C -2.592 174.956 177.584 -0.060 0.000 1.060 397 A CA 0.172 52.186 52.037 -0.038 0.000 0.710 397 A CB 2.559 21.536 19.000 -0.039 0.000 1.282 397 A HN 0.026 8.156 8.150 -0.033 0.000 0.399 398 V N 2.760 122.634 119.914 -0.066 0.000 2.432 398 V HA 0.459 nan 4.120 nan 0.000 0.275 398 V C -0.780 175.252 176.094 -0.104 0.000 1.043 398 V CA -0.106 62.141 62.300 -0.088 0.000 0.925 398 V CB 0.915 32.688 31.823 -0.083 0.000 0.985 398 V HN 0.177 8.331 8.190 -0.059 0.000 0.466 399 V N 9.116 128.937 119.914 -0.155 0.000 2.334 399 V HA 0.279 nan 4.120 nan 0.000 0.267 399 V C -1.221 174.787 176.094 -0.144 0.000 1.040 399 V CA -1.123 61.075 62.300 -0.169 0.000 0.866 399 V CB -0.258 31.376 31.823 -0.315 0.000 1.019 399 V HN 1.052 9.032 8.190 -0.182 0.101 0.468 400 K N 8.811 129.149 120.400 -0.103 0.000 2.263 400 K HA 0.248 nan 4.320 nan 0.000 0.272 400 K C -1.957 174.588 176.600 -0.092 0.000 1.033 400 K CA -1.400 54.812 56.287 -0.124 0.000 0.884 400 K CB 2.219 34.600 32.500 -0.199 0.000 1.107 400 K HN 0.980 9.187 8.250 -0.073 0.000 0.460 401 D N 7.773 128.128 120.400 -0.076 0.000 2.352 401 D HA 0.113 nan 4.640 nan 0.000 0.245 401 D C 0.633 176.893 176.300 -0.065 0.000 1.224 401 D CA -1.307 52.668 54.000 -0.042 0.000 0.879 401 D CB 0.106 40.895 40.800 -0.018 0.000 1.057 401 D HN -0.228 8.093 8.370 -0.081 0.000 0.491 402 L N 3.860 125.051 121.223 -0.053 0.000 2.131 402 L HA -0.322 nan 4.340 nan 0.000 0.210 402 L C 1.056 177.897 176.870 -0.048 0.000 1.092 402 L CA 2.779 57.581 54.840 -0.065 0.000 0.759 402 L CB -0.350 41.695 42.059 -0.024 0.000 0.903 402 L HN 0.107 8.321 8.230 -0.027 0.000 0.435 403 R N -4.001 116.483 120.500 -0.026 0.000 2.115 403 R HA -0.159 nan 4.340 nan 0.000 0.230 403 R C 1.013 177.298 176.300 -0.025 0.000 1.111 403 R CA 2.060 58.148 56.100 -0.019 0.000 0.976 403 R CB 0.157 30.453 30.300 -0.007 0.000 0.870 403 R HN -0.261 8.162 8.270 -0.018 -0.164 0.445 404 S N -4.647 111.034 115.700 -0.031 0.000 2.632 404 S HA 0.198 nan 4.470 nan 0.000 0.237 404 S C 1.056 175.628 174.600 -0.047 0.000 1.037 404 S CA -0.512 57.669 58.200 -0.031 0.000 1.009 404 S CB 1.724 64.912 63.200 -0.020 0.000 0.974 404 S HN -0.611 7.839 8.310 -0.034 -0.160 0.544 405 G N 2.073 110.830 108.800 -0.071 0.000 2.284 405 G HA2 -0.293 nan 3.960 nan 0.000 0.261 405 G HA3 -0.293 nan 3.960 nan 0.000 0.261 405 G C -0.812 174.032 174.900 -0.093 0.000 0.997 405 G CA 0.601 45.640 45.100 -0.100 0.000 0.621 405 G HN 0.336 8.582 8.290 -0.073 0.000 0.534 406 E N 2.882 123.045 120.200 -0.061 0.000 2.161 406 E HA -0.204 nan 4.350 nan 0.000 0.263 406 E C -0.766 175.799 176.600 -0.059 0.000 1.185 406 E CA -0.280 56.092 56.400 -0.047 0.000 0.938 406 E CB -1.265 28.423 29.700 -0.021 0.000 1.023 406 E HN -0.139 8.085 8.360 -0.048 0.107 0.433 407 Q N 2.681 122.435 119.800 -0.076 0.000 2.226 407 Q HA 0.580 nan 4.340 nan 0.000 0.256 407 Q C -0.621 175.332 176.000 -0.078 0.000 0.962 407 Q CA -1.512 54.235 55.803 -0.093 0.000 0.887 407 Q CB 2.264 30.932 28.738 -0.116 0.000 1.282 407 Q HN -0.016 8.211 8.270 -0.073 0.000 0.449 408 T N -5.417 109.072 114.554 -0.108 0.000 2.883 408 T HA 0.271 nan 4.350 nan 0.000 0.301 408 T C -2.131 172.501 174.700 -0.113 0.000 1.158 408 T CA -2.006 60.038 62.100 -0.095 0.000 1.007 408 T CB 2.820 71.637 68.868 -0.085 0.000 1.186 408 T HN 0.320 8.370 8.240 -0.143 0.104 0.499 409 A N 1.078 123.855 122.820 -0.072 0.000 2.276 409 A HA 0.895 nan 4.320 nan 0.000 0.316 409 A C -0.746 176.805 177.584 -0.055 0.000 1.229 409 A CA -1.011 50.990 52.037 -0.061 0.000 0.851 409 A CB 0.862 19.843 19.000 -0.031 0.000 1.165 409 A HN 0.229 8.350 8.150 -0.048 0.000 0.513 410 V N 1.961 121.836 119.914 -0.065 0.000 2.823 410 V HA 0.266 nan 4.120 nan 0.000 0.312 410 V C -0.918 175.166 176.094 -0.017 0.000 1.072 410 V CA -1.628 60.650 62.300 -0.036 0.000 0.937 410 V CB 3.857 35.643 31.823 -0.061 0.000 1.013 410 V HN 0.536 8.681 8.190 -0.076 0.000 0.430 411 A N 1.665 124.487 122.820 0.003 0.000 2.445 411 A HA 0.067 nan 4.320 nan 0.000 0.242 411 A C 1.333 178.919 177.584 0.002 0.000 1.075 411 A CA 0.347 52.386 52.037 0.003 0.000 0.777 411 A CB 0.384 19.390 19.000 0.010 0.000 1.013 411 A HN 0.171 8.330 8.150 0.015 0.000 0.493 412 Q N 3.383 123.182 119.800 -0.002 0.000 2.234 412 Q HA -0.374 nan 4.340 nan 0.000 0.206 412 Q C 2.388 178.390 176.000 0.003 0.000 0.980 412 Q CA 3.638 59.439 55.803 -0.003 0.000 0.869 412 Q CB -0.108 28.627 28.738 -0.006 0.000 0.912 412 Q HN 0.188 8.457 8.270 -0.003 0.000 0.436 413 D N -2.148 118.255 120.400 0.007 0.000 2.312 413 D HA -0.109 nan 4.640 nan 0.000 0.211 413 D C 0.910 177.220 176.300 0.016 0.000 0.964 413 D CA 2.492 56.498 54.000 0.009 0.000 0.877 413 D CB -0.279 40.526 40.800 0.007 0.000 0.924 413 D HN 0.409 8.757 8.370 0.006 0.026 0.515 414 S N -0.656 115.059 115.700 0.024 0.000 2.539 414 S HA 0.173 nan 4.470 nan 0.000 0.221 414 S C 1.119 175.760 174.600 0.069 0.000 0.987 414 S CA -0.015 58.211 58.200 0.043 0.000 0.929 414 S CB 0.856 64.088 63.200 0.053 0.000 0.832 414 S HN -0.202 7.945 8.310 0.020 0.175 0.492 415 V N -0.951 118.989 119.914 0.044 0.000 2.295 415 V HA -0.332 nan 4.120 nan 0.000 0.246 415 V C 0.845 176.979 176.094 0.066 0.000 1.049 415 V CA 3.669 65.998 62.300 0.049 0.000 1.024 415 V CB -1.412 30.413 31.823 0.002 0.000 0.648 415 V HN -0.733 7.363 8.190 0.024 0.108 0.447 416 A N 0.244 123.087 122.820 0.038 0.000 1.884 416 A HA -0.479 nan 4.320 nan 0.000 0.219 416 A C 1.399 179.007 177.584 0.041 0.000 1.197 416 A CA 3.529 55.585 52.037 0.031 0.000 0.637 416 A CB -1.126 17.884 19.000 0.016 0.000 0.827 416 A HN 0.226 8.392 8.150 0.026 0.000 0.450 417 A N -2.706 120.139 122.820 0.041 0.000 1.933 417 A HA -0.326 nan 4.320 nan 0.000 0.218 417 A C 1.943 179.547 177.584 0.034 0.000 1.175 417 A CA 2.991 55.043 52.037 0.025 0.000 0.628 417 A CB -0.993 18.014 19.000 0.012 0.000 0.814 417 A HN -0.011 8.163 8.150 0.040 0.000 0.444 418 H N -0.261 118.805 119.070 -0.007 0.000 2.357 418 H HA -0.205 nan 4.556 nan 0.000 0.301 418 H C 2.481 177.805 175.328 -0.007 0.000 1.082 418 H CA 3.796 59.840 56.048 -0.007 0.000 1.342 418 H CB 0.402 30.158 29.762 -0.009 0.000 1.389 418 H HN -0.514 7.762 8.280 0.167 0.104 0.511 419 L N -0.887 120.433 121.223 0.162 0.000 1.994 419 L HA -0.442 nan 4.340 nan 0.000 0.208 419 L C 1.849 178.752 176.870 0.056 0.000 1.071 419 L CA 3.156 58.054 54.840 0.097 0.000 0.745 419 L CB -0.420 41.672 42.059 0.055 0.000 0.892 419 L HN 0.548 8.759 8.230 0.141 0.103 0.431 420 R N -1.773 118.747 120.500 0.035 0.000 2.165 420 R HA -0.478 nan 4.340 nan 0.000 0.254 420 R C 2.380 178.681 176.300 0.001 0.000 1.153 420 R CA 3.577 59.684 56.100 0.012 0.000 0.971 420 R CB -0.377 29.925 30.300 0.004 0.000 0.878 420 R HN 0.057 8.351 8.270 0.041 0.000 0.449 421 T N 0.785 115.331 114.554 -0.013 0.000 2.809 421 T HA -0.136 nan 4.350 nan 0.000 0.260 421 T C 2.687 177.381 174.700 -0.011 0.000 1.039 421 T CA 3.912 65.991 62.100 -0.035 0.000 1.141 421 T CB -0.407 68.401 68.868 -0.100 0.000 0.869 421 T HN -0.691 7.434 8.240 -0.012 0.108 0.437 422 L N 0.787 122.023 121.223 0.022 0.000 2.187 422 L HA -0.362 nan 4.340 nan 0.000 0.213 422 L C 1.828 178.713 176.870 0.024 0.000 1.100 422 L CA 3.119 57.983 54.840 0.039 0.000 0.765 422 L CB -0.329 41.779 42.059 0.081 0.000 0.904 422 L HN -0.442 7.814 8.230 0.043 0.000 0.437 423 L N -6.759 114.477 121.223 0.021 0.000 2.416 423 L HA -0.070 nan 4.340 nan 0.000 0.216 423 L C 0.442 177.316 176.870 0.007 0.000 1.098 423 L CA -0.128 54.721 54.840 0.015 0.000 0.840 423 L CB 0.051 42.121 42.059 0.018 0.000 0.981 423 L HN -0.424 7.785 8.230 0.023 0.035 0.462 424 G N 0.000 108.801 108.800 0.002 0.000 5.446 424 G HA2 0.000 nan 3.960 nan 0.000 0.244 424 G HA3 0.000 nan 3.960 nan 0.000 0.244 424 G CA 0.000 45.098 45.100 -0.003 0.000 0.502 424 G HN 0.000 8.185 8.290 0.002 0.105 0.925