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 1rq7_1_A DATA FIRST_RESID 8 DATA SEQUENCE LAVIKVVGIG GGGVNAVNRM IEQGLKGVEF IAINTDAQAL LMSDADVKLD DATA SEQUENCE VGRDSTXXXX XGADPEVGRK AAEDAKDEIE ELLRGADMVF VTAGEGGGTG DATA SEQUENCE TGGAPVVASI ARKLGALTVG VVTRPFSFEG KRRSNQAENG IAALRESCDT DATA SEQUENCE LIVIPNDRLL QMGDAAVSLM DAFRSADEVL LNGVQGITDL ITTPGLINVD DATA SEQUENCE FADVKGIMSG AGTALMGIGS ARGEGRSLKA AEIAINSPLL EASMEGAQGV DATA SEQUENCE LMSIAGGSDL GLFEINEAAS LVQDAAHPDA NIIFGTVIDD SLGDEVRVTV DATA SEQUENCE IAAGF 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 8 L HA 0.000 nan 4.340 nan 0.000 0.249 8 L C 0.000 176.798 176.870 -0.120 0.000 1.165 8 L CA 0.000 54.807 54.840 -0.054 0.000 0.813 8 L CB 0.000 42.033 42.059 -0.043 0.000 0.961 9 A N 3.862 126.579 122.820 -0.172 0.000 2.354 9 A HA 0.739 5.059 4.320 -0.000 0.000 0.269 9 A C -0.526 176.907 177.584 -0.252 0.000 1.109 9 A CA -0.328 51.497 52.037 -0.352 0.000 0.800 9 A CB 0.888 19.534 19.000 -0.590 0.000 1.045 9 A HN 0.583 nan 8.150 nan 0.000 0.489 10 V N 3.971 123.724 119.914 -0.268 0.000 2.347 10 V HA 0.334 4.454 4.120 -0.000 0.000 0.280 10 V C -0.217 175.782 176.094 -0.158 0.000 1.021 10 V CA 0.001 62.198 62.300 -0.171 0.000 0.847 10 V CB 0.753 32.499 31.823 -0.129 0.000 0.990 10 V HN 0.672 nan 8.190 nan 0.000 0.444 11 I N 5.368 125.872 120.570 -0.109 0.000 2.378 11 I HA 0.508 4.678 4.170 -0.000 0.000 0.291 11 I C -0.111 175.967 176.117 -0.065 0.000 0.992 11 I CA -0.593 60.683 61.300 -0.040 0.000 1.154 11 I CB 1.603 39.610 38.000 0.010 0.000 1.315 11 I HN 0.453 nan 8.210 nan 0.000 0.448 12 K N 5.514 125.909 120.400 -0.008 0.000 2.323 12 K HA 0.639 4.959 4.320 -0.000 0.000 0.259 12 K C -1.232 175.393 176.600 0.042 0.000 0.947 12 K CA -0.754 55.510 56.287 -0.038 0.000 0.819 12 K CB 2.882 35.370 32.500 -0.021 0.000 1.109 12 K HN 0.277 nan 8.250 nan 0.000 0.429 13 V N 3.546 123.437 119.914 -0.039 0.000 2.370 13 V HA 0.259 4.379 4.120 -0.000 0.000 0.283 13 V C -0.320 175.846 176.094 0.121 0.000 1.023 13 V CA -0.911 61.432 62.300 0.071 0.000 0.857 13 V CB 1.523 33.339 31.823 -0.012 0.000 0.985 13 V HN 0.456 nan 8.190 nan 0.000 0.443 14 V N 4.008 124.004 119.914 0.136 0.000 2.398 14 V HA 0.680 4.800 4.120 -0.000 0.000 0.286 14 V C 0.745 176.903 176.094 0.107 0.000 1.026 14 V CA -0.303 62.062 62.300 0.108 0.000 0.868 14 V CB 1.745 33.616 31.823 0.079 0.000 0.982 14 V HN 0.943 nan 8.190 nan 0.000 0.443 15 G N 4.867 113.723 108.800 0.094 0.000 2.415 15 G HA2 0.653 4.613 3.960 -0.000 0.000 0.317 15 G HA3 0.653 4.613 3.960 -0.000 0.000 0.317 15 G C -0.947 173.979 174.900 0.043 0.000 1.152 15 G CA -0.326 44.814 45.100 0.067 0.000 0.956 15 G HN 0.685 nan 8.290 nan 0.000 0.458 16 I N 2.723 123.313 120.570 0.034 0.000 2.474 16 I HA 0.730 4.900 4.170 -0.000 0.000 0.294 16 I C 0.519 176.640 176.117 0.007 0.000 1.005 16 I CA 0.309 61.622 61.300 0.021 0.000 1.113 16 I CB 1.412 39.425 38.000 0.022 0.000 1.289 16 I HN 1.049 nan 8.210 nan 0.000 0.436 17 G N 4.076 112.876 108.800 0.000 0.000 2.781 17 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.683 17 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.683 17 G C 0.511 175.398 174.900 -0.022 0.000 1.390 17 G CA -0.274 44.819 45.100 -0.012 0.000 0.850 17 G HN 1.199 nan 8.290 nan 0.000 0.557 18 G N -0.141 108.638 108.800 -0.036 0.000 2.446 18 G HA2 0.177 4.137 3.960 -0.000 0.000 0.217 18 G HA3 0.177 4.137 3.960 -0.000 0.000 0.217 18 G C 1.976 176.837 174.900 -0.065 0.000 1.168 18 G CA 2.153 47.222 45.100 -0.051 0.000 0.771 18 G HN 1.936 nan 8.290 nan 0.000 0.551 19 G N 0.747 109.500 108.800 -0.079 0.000 2.421 19 G HA2 0.058 4.018 3.960 -0.000 0.000 0.216 19 G HA3 0.058 4.018 3.960 -0.000 0.000 0.216 19 G C 1.799 176.678 174.900 -0.035 0.000 1.171 19 G CA 1.356 46.407 45.100 -0.082 0.000 0.775 19 G HN 0.604 nan 8.290 nan 0.000 0.543 20 G N 0.115 108.904 108.800 -0.017 0.000 2.432 20 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.219 20 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.219 20 G C 1.704 176.608 174.900 0.007 0.000 1.135 20 G CA 1.129 46.233 45.100 0.006 0.000 0.767 20 G HN 0.336 nan 8.290 nan 0.000 0.550 21 V N 1.270 121.180 119.914 -0.005 0.000 2.548 21 V HA -0.114 4.006 4.120 -0.000 0.000 0.249 21 V C 2.515 178.594 176.094 -0.025 0.000 1.055 21 V CA 1.504 63.799 62.300 -0.009 0.000 1.065 21 V CB -0.331 31.485 31.823 -0.011 0.000 0.681 21 V HN 0.286 nan 8.190 nan 0.000 0.462 22 N N 0.830 119.513 118.700 -0.029 0.000 2.188 22 N HA -0.065 4.675 4.740 -0.000 0.000 0.184 22 N C 1.915 177.409 175.510 -0.026 0.000 1.018 22 N CA 1.542 54.574 53.050 -0.030 0.000 0.858 22 N CB -0.420 38.049 38.487 -0.030 0.000 0.989 22 N HN 0.472 nan 8.380 nan 0.000 0.426 23 A N 0.835 123.647 122.820 -0.014 0.000 1.877 23 A HA -0.079 4.241 4.320 -0.000 0.000 0.216 23 A C 2.508 180.072 177.584 -0.032 0.000 1.186 23 A CA 1.331 53.365 52.037 -0.005 0.000 0.620 23 A CB -0.886 18.123 19.000 0.015 0.000 0.822 23 A HN 0.082 nan 8.150 nan 0.000 0.443 24 V N 0.962 120.857 119.914 -0.031 0.000 2.287 24 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 24 V C 2.360 178.312 176.094 -0.236 0.000 1.053 24 V CA 2.334 64.583 62.300 -0.085 0.000 1.027 24 V CB -1.085 30.737 31.823 -0.002 0.000 0.646 24 V HN 0.559 nan 8.190 nan 0.000 0.447 25 N N 0.018 118.622 118.700 -0.161 0.000 2.149 25 N HA -0.200 4.540 4.740 -0.000 0.000 0.188 25 N C 1.915 177.326 175.510 -0.165 0.000 1.019 25 N CA 1.483 54.429 53.050 -0.173 0.000 0.857 25 N CB -0.487 37.941 38.487 -0.098 0.000 0.997 25 N HN 0.370 nan 8.380 nan 0.000 0.426 26 R N 0.808 121.241 120.500 -0.111 0.000 2.081 26 R HA 0.085 4.425 4.340 -0.000 0.000 0.235 26 R C 2.040 178.274 176.300 -0.110 0.000 1.131 26 R CA 1.274 57.326 56.100 -0.080 0.000 0.960 26 R CB -0.451 29.828 30.300 -0.035 0.000 0.856 26 R HN 0.249 nan 8.270 nan 0.000 0.436 27 M N -0.423 119.087 119.600 -0.150 0.000 2.108 27 M HA -0.170 4.310 4.480 -0.000 0.000 0.261 27 M C 2.120 178.263 176.300 -0.262 0.000 1.066 27 M CA 1.864 57.069 55.300 -0.157 0.000 1.107 27 M CB -0.360 32.172 32.600 -0.114 0.000 1.356 27 M HN 0.144 nan 8.290 nan 0.000 0.406 28 I N -0.577 119.699 120.570 -0.489 0.000 2.252 28 I HA -0.232 3.938 4.170 -0.000 0.000 0.245 28 I C 2.675 178.680 176.117 -0.186 0.000 1.102 28 I CA 1.051 62.089 61.300 -0.437 0.000 1.385 28 I CB -0.602 37.101 38.000 -0.495 0.000 1.064 28 I HN 0.344 nan 8.210 nan 0.000 0.414 29 E N 0.953 121.062 120.200 -0.152 0.000 2.106 29 E HA -0.231 4.119 4.350 -0.000 0.000 0.192 29 E C 1.897 178.465 176.600 -0.054 0.000 0.984 29 E CA 1.208 57.557 56.400 -0.084 0.000 0.806 29 E CB 0.046 29.704 29.700 -0.070 0.000 0.750 29 E HN 0.402 nan 8.360 nan 0.000 0.458 30 Q N -0.534 119.234 119.800 -0.053 0.000 2.482 30 Q HA 0.042 4.382 4.340 -0.000 0.000 0.209 30 Q C 0.827 176.821 176.000 -0.009 0.000 0.961 30 Q CA 0.812 56.601 55.803 -0.024 0.000 0.945 30 Q CB 0.242 28.970 28.738 -0.016 0.000 1.012 30 Q HN 0.484 nan 8.270 nan 0.000 0.515 31 G N 1.307 110.099 108.800 -0.013 0.000 2.182 31 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.248 31 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.248 31 G C -0.206 174.729 174.900 0.057 0.000 1.042 31 G CA 0.225 45.336 45.100 0.019 0.000 0.775 31 G HN 0.316 nan 8.290 nan 0.000 0.501 32 L N 0.377 121.655 121.223 0.092 0.000 2.499 32 L HA 0.595 4.935 4.340 -0.000 0.000 0.273 32 L C 0.533 177.520 176.870 0.194 0.000 1.195 32 L CA 0.331 55.262 54.840 0.151 0.000 0.882 32 L CB 0.260 42.463 42.059 0.240 0.000 1.133 32 L HN 0.280 nan 8.230 nan 0.000 0.483 33 K N 3.114 123.570 120.400 0.093 0.000 2.306 33 K HA 0.652 4.972 4.320 -0.000 0.000 0.236 33 K C 0.546 177.142 176.600 -0.007 0.000 1.013 33 K CA -0.428 55.894 56.287 0.059 0.000 0.857 33 K CB 1.534 34.059 32.500 0.041 0.000 1.214 33 K HN 0.782 nan 8.250 nan 0.000 0.449 34 G N -0.227 108.557 108.800 -0.027 0.000 2.179 34 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.257 34 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.257 34 G C -0.239 174.585 174.900 -0.126 0.000 1.010 34 G CA 0.608 45.673 45.100 -0.059 0.000 0.736 34 G HN 0.504 nan 8.290 nan 0.000 0.513 35 V N -3.609 116.166 119.914 -0.231 0.000 2.925 35 V HA 0.859 4.979 4.120 -0.000 0.000 0.311 35 V C -0.232 175.524 176.094 -0.562 0.000 1.104 35 V CA -1.051 61.008 62.300 -0.401 0.000 0.954 35 V CB 2.136 33.632 31.823 -0.546 0.000 1.022 35 V HN 0.451 nan 8.190 nan 0.000 0.427 36 E N 2.312 122.256 120.200 -0.426 0.000 2.249 36 E HA 0.539 4.888 4.350 -0.000 0.000 0.280 36 E C -1.653 174.686 176.600 -0.435 0.000 1.016 36 E CA -0.681 55.524 56.400 -0.325 0.000 0.830 36 E CB 1.216 30.836 29.700 -0.132 0.000 1.081 36 E HN 0.655 nan 8.360 nan 0.000 0.395 37 F N 4.359 124.308 119.950 -0.002 0.000 2.420 37 F HA 0.453 4.980 4.527 -0.001 0.000 0.342 37 F C 0.082 175.885 175.800 0.004 0.000 1.113 37 F CA -0.701 57.299 58.000 -0.001 0.000 1.059 37 F CB 1.090 40.085 39.000 -0.009 0.000 1.128 37 F HN 0.287 nan 8.300 nan 0.000 0.475 38 I N 2.995 123.675 120.570 0.183 0.000 2.466 38 I HA 0.558 4.727 4.170 -0.000 0.000 0.289 38 I C -0.672 175.503 176.117 0.098 0.000 1.026 38 I CA -0.855 60.509 61.300 0.107 0.000 1.078 38 I CB 1.900 39.939 38.000 0.065 0.000 1.249 38 I HN 0.651 nan 8.210 nan 0.000 0.429 39 A N 8.018 130.880 122.820 0.071 0.000 2.271 39 A HA 0.843 5.163 4.320 -0.000 0.000 0.317 39 A C -0.660 176.944 177.584 0.033 0.000 1.245 39 A CA -0.384 51.681 52.037 0.048 0.000 0.857 39 A CB 0.490 19.510 19.000 0.033 0.000 1.175 39 A HN 0.675 nan 8.150 nan 0.000 0.512 40 I N 2.838 123.425 120.570 0.028 0.000 2.465 40 I HA 0.476 4.646 4.170 -0.000 0.000 0.291 40 I C -0.297 175.828 176.117 0.012 0.000 1.014 40 I CA -0.573 60.739 61.300 0.020 0.000 1.093 40 I CB 2.096 40.108 38.000 0.021 0.000 1.267 40 I HN 0.689 nan 8.210 nan 0.000 0.431 41 N N 1.823 120.528 118.700 0.007 0.000 3.020 41 N HA 0.345 5.085 4.740 -0.000 0.000 0.248 41 N C -0.373 175.137 175.510 0.001 0.000 1.480 41 N CA -0.439 52.612 53.050 0.002 0.000 0.874 41 N CB 2.049 40.535 38.487 -0.002 0.000 1.433 41 N HN 0.561 nan 8.380 nan 0.000 0.530 42 T N -2.446 112.107 114.554 -0.002 0.000 3.248 42 T HA 0.362 4.711 4.350 -0.000 0.000 0.271 42 T C -0.527 174.172 174.700 -0.002 0.000 1.005 42 T CA -0.331 61.768 62.100 -0.001 0.000 0.902 42 T CB -0.423 68.444 68.868 -0.001 0.000 1.102 42 T HN 0.416 nan 8.240 nan 0.000 0.548 43 D N 0.117 120.516 120.400 -0.003 0.000 2.616 43 D HA 0.604 5.244 4.640 -0.000 0.000 0.238 43 D C 0.856 177.154 176.300 -0.003 0.000 1.354 43 D CA -0.426 53.572 54.000 -0.003 0.000 0.970 43 D CB 1.310 42.106 40.800 -0.006 0.000 1.369 43 D HN 0.013 nan 8.370 nan 0.000 0.585 44 A N 3.409 126.228 122.820 -0.002 0.000 1.969 44 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 44 A C 1.878 179.461 177.584 -0.002 0.000 1.169 44 A CA 1.096 53.133 52.037 -0.001 0.000 0.635 44 A CB -0.263 18.737 19.000 0.000 0.000 0.810 44 A HN 0.642 nan 8.150 nan 0.000 0.445 45 Q N -0.277 119.521 119.800 -0.003 0.000 1.993 45 Q HA -0.190 4.150 4.340 -0.000 0.000 0.202 45 Q C 2.520 178.517 176.000 -0.006 0.000 0.984 45 Q CA 1.727 57.528 55.803 -0.004 0.000 0.837 45 Q CB -0.758 27.977 28.738 -0.004 0.000 0.902 45 Q HN 0.631 nan 8.270 nan 0.000 0.423 46 A N 1.152 123.968 122.820 -0.007 0.000 1.948 46 A HA -0.178 4.142 4.320 -0.000 0.000 0.220 46 A C 2.273 179.851 177.584 -0.010 0.000 1.177 46 A CA 1.336 53.367 52.037 -0.011 0.000 0.636 46 A CB -0.822 18.170 19.000 -0.013 0.000 0.815 46 A HN 0.305 nan 8.150 nan 0.000 0.449 47 L N -0.801 120.419 121.223 -0.006 0.000 2.093 47 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 47 L C 3.136 180.004 176.870 -0.004 0.000 1.085 47 L CA 1.159 55.997 54.840 -0.004 0.000 0.755 47 L CB -0.805 41.254 42.059 0.001 0.000 0.904 47 L HN 0.481 nan 8.230 nan 0.000 0.435 48 L N -1.611 119.610 121.223 -0.004 0.000 2.189 48 L HA -0.225 4.115 4.340 -0.000 0.000 0.214 48 L C 2.355 179.221 176.870 -0.007 0.000 1.097 48 L CA 2.403 57.241 54.840 -0.004 0.000 0.764 48 L CB -1.090 40.967 42.059 -0.003 0.000 0.900 48 L HN 0.304 nan 8.230 nan 0.000 0.436 49 M N -1.032 118.562 119.600 -0.010 0.000 2.334 49 M HA 0.053 4.532 4.480 -0.000 0.000 0.266 49 M C 1.533 177.821 176.300 -0.020 0.000 1.082 49 M CA 0.608 55.900 55.300 -0.014 0.000 1.141 49 M CB 0.189 32.781 32.600 -0.014 0.000 1.380 49 M HN 0.522 nan 8.290 nan 0.000 0.440 50 S N 1.096 116.784 115.700 -0.020 0.000 2.558 50 S HA -0.083 4.386 4.470 -0.000 0.000 0.291 50 S C 0.386 174.969 174.600 -0.029 0.000 1.306 50 S CA 0.171 58.354 58.200 -0.028 0.000 1.056 50 S CB 0.257 63.446 63.200 -0.018 0.000 0.836 50 S HN 0.259 nan 8.310 nan 0.000 0.504 51 D N 2.352 122.721 120.400 -0.051 0.000 2.463 51 D HA 0.296 4.935 4.640 -0.000 0.000 0.224 51 D C 0.473 176.749 176.300 -0.040 0.000 1.174 51 D CA -0.012 53.960 54.000 -0.047 0.000 0.829 51 D CB 0.416 41.177 40.800 -0.065 0.000 0.993 51 D HN 0.635 nan 8.370 nan 0.000 0.497 52 A N 0.647 123.456 122.820 -0.019 0.000 2.448 52 A HA 0.003 4.323 4.320 -0.000 0.000 0.239 52 A C 1.219 178.854 177.584 0.084 0.000 1.080 52 A CA 0.086 52.156 52.037 0.055 0.000 0.779 52 A CB 0.566 19.611 19.000 0.075 0.000 1.026 52 A HN 0.027 nan 8.150 nan 0.000 0.499 53 D N -0.450 120.035 120.400 0.143 0.000 2.183 53 D HA 0.007 4.647 4.640 -0.000 0.000 0.203 53 D C 0.140 176.477 176.300 0.062 0.000 0.969 53 D CA 1.389 55.447 54.000 0.096 0.000 0.842 53 D CB -0.011 40.848 40.800 0.100 0.000 0.957 53 D HN 0.207 nan 8.370 nan 0.000 0.484 54 V N 0.758 120.711 119.914 0.065 0.000 2.709 54 V HA 0.308 4.427 4.120 -0.000 0.000 0.308 54 V C -0.467 175.652 176.094 0.043 0.000 1.062 54 V CA -0.829 61.498 62.300 0.044 0.000 0.901 54 V CB 2.596 34.441 31.823 0.037 0.000 1.003 54 V HN -0.152 nan 8.190 nan 0.000 0.425 55 K N 4.182 124.600 120.400 0.029 0.000 2.545 55 K HA 0.662 4.982 4.320 -0.000 0.000 0.252 55 K C -1.609 175.002 176.600 0.018 0.000 0.948 55 K CA -0.663 55.638 56.287 0.023 0.000 0.827 55 K CB 2.380 34.891 32.500 0.017 0.000 1.128 55 K HN 0.426 nan 8.250 nan 0.000 0.429 56 L N 2.589 123.822 121.223 0.017 0.000 2.325 56 L HA 0.367 4.707 4.340 -0.000 0.000 0.281 56 L C -1.223 175.653 176.870 0.010 0.000 1.004 56 L CA -0.363 54.485 54.840 0.013 0.000 0.823 56 L CB 1.448 43.516 42.059 0.014 0.000 1.236 56 L HN 0.493 nan 8.230 nan 0.000 0.415 57 D N 4.003 124.408 120.400 0.008 0.000 2.359 57 D HA 0.427 5.067 4.640 -0.000 0.000 0.230 57 D C -0.402 175.901 176.300 0.005 0.000 1.118 57 D CA -0.121 53.883 54.000 0.005 0.000 0.844 57 D CB 1.010 41.813 40.800 0.004 0.000 1.059 57 D HN 0.375 nan 8.370 nan 0.000 0.493 58 V N 0.656 120.573 119.914 0.005 0.000 3.193 58 V HA 0.848 4.968 4.120 -0.000 0.000 0.320 58 V C 1.169 177.264 176.094 0.003 0.000 1.112 58 V CA -0.393 61.910 62.300 0.004 0.000 1.026 58 V CB 1.062 32.888 31.823 0.005 0.000 1.128 58 V HN 0.711 nan 8.190 nan 0.000 0.452 59 G N 1.246 110.048 108.800 0.003 0.000 2.421 59 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.300 59 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.300 59 G C 0.785 175.686 174.900 0.002 0.000 0.974 59 G CA 1.074 46.175 45.100 0.002 0.000 1.062 59 G HN 0.916 nan 8.290 nan 0.000 0.514 60 R N -0.590 119.911 120.500 0.002 0.000 2.096 60 R HA -0.064 4.276 4.340 -0.000 0.000 0.235 60 R C 1.789 178.090 176.300 0.001 0.000 1.127 60 R CA 1.610 57.710 56.100 0.002 0.000 0.968 60 R CB -0.131 30.170 30.300 0.002 0.000 0.861 60 R HN 0.456 nan 8.270 nan 0.000 0.440 61 D N 0.092 120.492 120.400 0.001 0.000 2.144 61 D HA -0.096 4.544 4.640 -0.000 0.000 0.207 61 D C 2.040 178.340 176.300 0.001 0.000 0.970 61 D CA 1.574 55.575 54.000 0.001 0.000 0.853 61 D CB -0.415 40.385 40.800 0.001 0.000 1.007 61 D HN 0.106 nan 8.370 nan 0.000 0.469 62 S N 0.560 116.261 115.700 0.001 0.000 2.378 62 S HA -0.173 4.296 4.470 -0.000 0.000 0.229 62 S C 1.451 176.052 174.600 0.001 0.000 1.052 62 S CA 1.959 60.160 58.200 0.002 0.000 1.084 62 S CB -1.006 62.195 63.200 0.002 0.000 0.950 62 S HN 0.398 nan 8.310 nan 0.000 0.440 70 A N 0.634 123.456 122.820 0.003 0.000 3.028 70 A HA -0.147 4.173 4.320 -0.000 0.000 0.248 70 A C 0.262 177.850 177.584 0.006 0.000 1.316 70 A CA 1.121 53.162 52.037 0.005 0.000 1.003 70 A CB -1.535 17.472 19.000 0.011 0.000 1.148 70 A HN 1.084 nan 8.150 nan 0.000 0.828 71 D N -0.829 119.573 120.400 0.004 0.000 2.454 71 D HA 0.533 5.173 4.640 -0.000 0.000 0.225 71 D C -1.271 175.031 176.300 0.002 0.000 1.081 71 D CA -2.011 51.992 54.000 0.004 0.000 0.864 71 D CB 1.104 41.906 40.800 0.004 0.000 1.040 71 D HN 0.117 nan 8.370 nan 0.000 0.517 72 P HA -0.142 nan 4.420 nan 0.000 0.220 72 P C 0.936 178.236 177.300 0.001 0.000 1.144 72 P CA 0.799 63.900 63.100 0.001 0.000 0.800 72 P CB 0.529 32.230 31.700 0.001 0.000 0.772 73 E N -0.656 119.545 120.200 0.002 0.000 2.112 73 E HA -0.079 4.271 4.350 -0.000 0.000 0.190 73 E C 1.841 178.442 176.600 0.001 0.000 0.979 73 E CA 0.671 57.072 56.400 0.001 0.000 0.814 73 E CB -1.049 28.652 29.700 0.002 0.000 0.762 73 E HN -0.073 nan 8.360 nan 0.000 0.460 74 V N -0.044 119.871 119.914 0.002 0.000 2.358 74 V HA -0.159 3.961 4.120 -0.000 0.000 0.246 74 V C 2.207 178.301 176.094 0.001 0.000 1.047 74 V CA 1.957 64.258 62.300 0.002 0.000 1.035 74 V CB -0.839 30.985 31.823 0.002 0.000 0.658 74 V HN 0.480 nan 8.190 nan 0.000 0.452 75 G N -0.769 108.031 108.800 0.001 0.000 2.422 75 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.218 75 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.218 75 G C 1.711 176.612 174.900 0.002 0.000 1.140 75 G CA 0.714 45.815 45.100 0.001 0.000 0.775 75 G HN 0.416 nan 8.290 nan 0.000 0.545 76 R N 0.389 120.890 120.500 0.002 0.000 2.075 76 R HA -0.041 4.299 4.340 -0.000 0.000 0.232 76 R C 2.412 178.712 176.300 0.002 0.000 1.126 76 R CA 1.664 57.765 56.100 0.002 0.000 0.963 76 R CB -0.193 30.107 30.300 0.001 0.000 0.858 76 R HN 0.249 nan 8.270 nan 0.000 0.435 77 K N 0.312 120.713 120.400 0.002 0.000 2.148 77 K HA -0.007 4.312 4.320 -0.000 0.000 0.204 77 K C 1.731 178.332 176.600 0.002 0.000 1.050 77 K CA 1.466 57.754 56.287 0.001 0.000 0.942 77 K CB -0.174 32.327 32.500 0.001 0.000 0.724 77 K HN 0.276 nan 8.250 nan 0.000 0.446 78 A N 0.188 123.009 122.820 0.002 0.000 1.969 78 A HA 0.043 4.363 4.320 -0.000 0.000 0.218 78 A C 2.270 179.856 177.584 0.003 0.000 1.169 78 A CA 1.651 53.690 52.037 0.002 0.000 0.635 78 A CB -0.728 18.273 19.000 0.002 0.000 0.810 78 A HN 0.397 nan 8.150 nan 0.000 0.445 79 A N -0.309 122.513 122.820 0.003 0.000 1.874 79 A HA -0.046 4.274 4.320 -0.000 0.000 0.214 79 A C 1.880 179.466 177.584 0.004 0.000 1.189 79 A CA 1.380 53.420 52.037 0.004 0.000 0.615 79 A CB -0.502 18.501 19.000 0.005 0.000 0.830 79 A HN 0.540 nan 8.150 nan 0.000 0.443 80 E N 0.075 120.277 120.200 0.003 0.000 2.097 80 E HA -0.232 4.118 4.350 -0.000 0.000 0.196 80 E C 1.375 177.976 176.600 0.002 0.000 1.000 80 E CA 1.389 57.790 56.400 0.002 0.000 0.804 80 E CB -0.176 29.525 29.700 0.001 0.000 0.740 80 E HN 0.502 nan 8.360 nan 0.000 0.454 81 D N -0.246 120.155 120.400 0.002 0.000 2.182 81 D HA -0.127 4.513 4.640 -0.000 0.000 0.201 81 D C 1.137 177.438 176.300 0.002 0.000 0.986 81 D CA 1.199 55.200 54.000 0.002 0.000 0.847 81 D CB -0.044 40.757 40.800 0.002 0.000 0.942 81 D HN 0.174 nan 8.370 nan 0.000 0.467 82 A N 0.453 123.275 122.820 0.003 0.000 2.460 82 A HA 0.071 4.391 4.320 -0.000 0.000 0.258 82 A C 1.785 179.371 177.584 0.004 0.000 1.300 82 A CA -0.010 52.029 52.037 0.004 0.000 0.913 82 A CB -0.249 18.754 19.000 0.005 0.000 1.031 82 A HN 0.220 nan 8.150 nan 0.000 0.512 83 K N 0.238 120.639 120.400 0.003 0.000 2.044 83 K HA -0.225 4.095 4.320 -0.000 0.000 0.210 83 K C 0.703 177.304 176.600 0.002 0.000 1.049 83 K CA 2.013 58.301 56.287 0.002 0.000 0.927 83 K CB -0.316 32.184 32.500 0.001 0.000 0.713 83 K HN 0.217 nan 8.250 nan 0.000 0.443 84 D N 0.951 121.352 120.400 0.002 0.000 2.097 84 D HA -0.164 4.476 4.640 -0.000 0.000 0.197 84 D C 1.935 178.235 176.300 0.002 0.000 0.984 84 D CA 1.356 55.357 54.000 0.001 0.000 0.826 84 D CB -0.288 40.512 40.800 0.001 0.000 0.973 84 D HN 0.473 nan 8.370 nan 0.000 0.460 85 E N 0.388 120.590 120.200 0.002 0.000 2.070 85 E HA -0.175 4.175 4.350 -0.000 0.000 0.197 85 E C 2.218 178.821 176.600 0.005 0.000 1.004 85 E CA 0.967 57.369 56.400 0.003 0.000 0.805 85 E CB -0.146 29.556 29.700 0.004 0.000 0.744 85 E HN 0.241 nan 8.360 nan 0.000 0.451 86 I N 0.498 121.071 120.570 0.005 0.000 2.226 86 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 86 I C 2.606 178.725 176.117 0.005 0.000 1.100 86 I CA 1.306 62.610 61.300 0.007 0.000 1.374 86 I CB -0.295 37.710 38.000 0.008 0.000 1.057 86 I HN 0.258 nan 8.210 nan 0.000 0.413 87 E N 0.857 121.059 120.200 0.003 0.000 2.110 87 E HA -0.268 4.082 4.350 -0.000 0.000 0.193 87 E C 2.117 178.717 176.600 -0.001 0.000 0.988 87 E CA 0.971 57.371 56.400 0.001 0.000 0.804 87 E CB 0.042 29.742 29.700 -0.000 0.000 0.745 87 E HN 0.305 nan 8.360 nan 0.000 0.458 88 E N 0.477 120.677 120.200 -0.000 0.000 2.204 88 E HA -0.150 4.200 4.350 -0.000 0.000 0.194 88 E C 2.081 178.680 176.600 -0.001 0.000 0.989 88 E CA 0.561 56.961 56.400 -0.001 0.000 0.824 88 E CB 0.043 29.742 29.700 -0.000 0.000 0.756 88 E HN 0.386 nan 8.360 nan 0.000 0.477 89 L N -0.113 121.111 121.223 0.001 0.000 2.209 89 L HA -0.049 4.291 4.340 -0.000 0.000 0.207 89 L C 2.421 179.291 176.870 -0.001 0.000 1.094 89 L CA 0.394 55.235 54.840 0.002 0.000 0.790 89 L CB -0.115 41.949 42.059 0.008 0.000 0.932 89 L HN 0.109 nan 8.230 nan 0.000 0.447 90 L N -0.896 120.327 121.223 -0.001 0.000 2.209 90 L HA 0.001 4.341 4.340 -0.000 0.000 0.207 90 L C 1.137 178.001 176.870 -0.011 0.000 1.094 90 L CA 0.026 54.864 54.840 -0.004 0.000 0.790 90 L CB -0.224 41.834 42.059 -0.000 0.000 0.932 90 L HN 0.093 nan 8.230 nan 0.000 0.447 91 R N 0.630 121.125 120.500 -0.010 0.000 2.481 91 R HA 0.038 4.378 4.340 -0.000 0.000 0.291 91 R C 1.088 177.376 176.300 -0.020 0.000 0.934 91 R CA 1.095 57.187 56.100 -0.013 0.000 1.116 91 R CB -0.045 30.249 30.300 -0.010 0.000 0.895 91 R HN 0.402 nan 8.270 nan 0.000 0.410 92 G N 1.291 110.077 108.800 -0.024 0.000 2.176 92 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.232 92 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.232 92 G C 0.033 174.901 174.900 -0.052 0.000 0.986 92 G CA -0.154 44.925 45.100 -0.035 0.000 0.643 92 G HN 0.862 nan 8.290 nan 0.000 0.522 93 A N 0.349 123.140 122.820 -0.047 0.000 2.363 93 A HA 0.613 4.932 4.320 -0.000 0.000 0.270 93 A C 1.051 178.587 177.584 -0.081 0.000 1.121 93 A CA 0.531 52.528 52.037 -0.066 0.000 0.800 93 A CB 0.427 19.402 19.000 -0.041 0.000 1.052 93 A HN 0.179 nan 8.150 nan 0.000 0.493 94 D N 1.116 121.418 120.400 -0.163 0.000 2.213 94 D HA 0.021 4.661 4.640 -0.000 0.000 0.205 94 D C 0.289 176.561 176.300 -0.046 0.000 0.961 94 D CA 1.276 55.147 54.000 -0.215 0.000 0.853 94 D CB 0.214 40.597 40.800 -0.694 0.000 0.967 94 D HN 0.605 nan 8.370 nan 0.000 0.496 95 M N 1.189 120.758 119.600 -0.051 0.000 2.267 95 M HA 0.289 4.769 4.480 -0.000 0.000 0.289 95 M C -2.113 174.203 176.300 0.028 0.000 1.043 95 M CA -0.461 54.876 55.300 0.062 0.000 0.928 95 M CB 2.762 35.484 32.600 0.204 0.000 1.613 95 M HN -0.405 nan 8.290 nan 0.000 0.450 96 V N 5.243 125.137 119.914 -0.033 0.000 2.487 96 V HA 0.526 4.645 4.120 -0.000 0.000 0.298 96 V C -1.035 175.021 176.094 -0.063 0.000 1.028 96 V CA -0.495 61.810 62.300 0.008 0.000 0.860 96 V CB 1.676 33.500 31.823 0.002 0.000 0.991 96 V HN 0.701 nan 8.190 nan 0.000 0.427 97 F N 3.336 123.289 119.950 0.005 0.000 2.404 97 F HA 0.617 5.143 4.527 -0.001 0.000 0.339 97 F C 0.216 176.028 175.800 0.019 0.000 1.105 97 F CA -0.694 57.316 58.000 0.016 0.000 1.087 97 F CB 1.892 40.905 39.000 0.021 0.000 1.143 97 F HN 0.173 nan 8.300 nan 0.000 0.491 98 V N 2.369 122.385 119.914 0.171 0.000 2.326 98 V HA 0.392 4.512 4.120 -0.000 0.000 0.281 98 V C -0.245 175.918 176.094 0.115 0.000 1.015 98 V CA -0.757 61.612 62.300 0.114 0.000 0.823 98 V CB 1.189 33.046 31.823 0.057 0.000 1.009 98 V HN 0.851 nan 8.190 nan 0.000 0.436 99 T N 1.871 116.492 114.554 0.112 0.000 2.895 99 T HA 0.949 5.299 4.350 -0.000 0.000 0.283 99 T C -0.309 174.424 174.700 0.054 0.000 1.014 99 T CA -0.346 61.806 62.100 0.088 0.000 1.037 99 T CB 2.301 71.222 68.868 0.090 0.000 1.006 99 T HN 1.235 nan 8.240 nan 0.000 0.468 100 A N 0.980 123.821 122.820 0.035 0.000 2.586 100 A HA 0.816 5.136 4.320 -0.000 0.000 0.291 100 A C -0.244 177.342 177.584 0.004 0.000 1.062 100 A CA -0.686 51.361 52.037 0.016 0.000 0.666 100 A CB 0.857 19.864 19.000 0.013 0.000 1.281 100 A HN 1.399 nan 8.150 nan 0.000 0.421 101 G N 1.102 109.895 108.800 -0.012 0.000 2.356 101 G HA2 0.524 4.484 3.960 -0.000 0.000 0.312 101 G HA3 0.524 4.484 3.960 -0.000 0.000 0.312 101 G C -0.438 174.449 174.900 -0.021 0.000 1.096 101 G CA -0.277 44.810 45.100 -0.022 0.000 0.950 101 G HN 0.534 nan 8.290 nan 0.000 0.428 102 E N 0.895 121.082 120.200 -0.021 0.000 2.392 102 E HA 0.375 4.725 4.350 -0.000 0.000 0.264 102 E C 1.131 177.720 176.600 -0.018 0.000 1.024 102 E CA 1.175 57.564 56.400 -0.019 0.000 0.903 102 E CB 1.668 31.355 29.700 -0.022 0.000 0.963 102 E HN 0.828 nan 8.360 nan 0.000 0.432 103 G N 2.135 110.928 108.800 -0.010 0.000 2.797 103 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.195 103 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.195 103 G C 0.649 175.550 174.900 0.001 0.000 1.026 103 G CA -0.061 45.038 45.100 -0.003 0.000 0.759 103 G HN 0.748 nan 8.290 nan 0.000 0.475 104 G N -0.234 108.564 108.800 -0.005 0.000 2.504 104 G HA2 0.544 4.504 3.960 -0.000 0.000 0.257 104 G HA3 0.544 4.504 3.960 -0.000 0.000 0.257 104 G C 1.203 176.101 174.900 -0.003 0.000 1.451 104 G CA 0.658 45.756 45.100 -0.005 0.000 1.059 104 G HN 1.212 nan 8.290 nan 0.000 0.550 105 G N -1.987 106.811 108.800 -0.004 0.000 2.645 105 G HA2 0.111 4.071 3.960 -0.000 0.000 0.207 105 G HA3 0.111 4.071 3.960 -0.000 0.000 0.207 105 G C 1.654 176.553 174.900 -0.003 0.000 1.145 105 G CA 1.350 46.449 45.100 -0.002 0.000 0.831 105 G HN 0.533 nan 8.290 nan 0.000 0.563 106 T N 1.183 115.734 114.554 -0.005 0.000 2.701 106 T HA 0.003 4.353 4.350 -0.000 0.000 0.263 106 T C 2.448 177.147 174.700 -0.002 0.000 1.040 106 T CA 1.571 63.669 62.100 -0.003 0.000 1.147 106 T CB -0.568 68.297 68.868 -0.005 0.000 0.865 106 T HN 0.293 nan 8.240 nan 0.000 0.426 107 G N 1.281 110.079 108.800 -0.004 0.000 2.414 107 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.215 107 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.215 107 G C 1.742 176.642 174.900 -0.000 0.000 1.188 107 G CA 1.432 46.531 45.100 -0.001 0.000 0.783 107 G HN 0.449 nan 8.290 nan 0.000 0.537 108 T N 1.014 115.566 114.554 -0.003 0.000 2.624 108 T HA -0.144 4.206 4.350 -0.000 0.000 0.268 108 T C 2.407 177.107 174.700 -0.000 0.000 1.041 108 T CA 1.856 63.954 62.100 -0.002 0.000 1.159 108 T CB -0.693 68.173 68.868 -0.003 0.000 0.863 108 T HN 0.375 nan 8.240 nan 0.000 0.434 109 G N 0.285 109.085 108.800 0.000 0.000 2.411 109 G HA2 0.157 4.117 3.960 -0.000 0.000 0.213 109 G HA3 0.157 4.117 3.960 -0.000 0.000 0.213 109 G C 1.694 176.595 174.900 0.002 0.000 1.166 109 G CA 0.762 45.863 45.100 0.001 0.000 0.802 109 G HN 0.581 nan 8.290 nan 0.000 0.533 110 G N 0.984 109.786 108.800 0.003 0.000 2.408 110 G HA2 0.170 4.130 3.960 -0.000 0.000 0.215 110 G HA3 0.170 4.130 3.960 -0.000 0.000 0.215 110 G C 2.032 176.936 174.900 0.007 0.000 1.156 110 G CA 1.353 46.456 45.100 0.005 0.000 0.793 110 G HN 0.557 nan 8.290 nan 0.000 0.535 111 A N 1.929 124.754 122.820 0.008 0.000 1.873 111 A HA -0.034 4.285 4.320 -0.000 0.000 0.218 111 A C 0.743 178.331 177.584 0.008 0.000 1.193 111 A CA 2.177 54.220 52.037 0.011 0.000 0.629 111 A CB -1.335 17.672 19.000 0.013 0.000 0.826 111 A HN 0.377 nan 8.150 nan 0.000 0.447 112 P HA -0.100 nan 4.420 nan 0.000 0.216 112 P C 1.585 178.886 177.300 0.001 0.000 1.150 112 P CA 1.332 64.433 63.100 0.001 0.000 0.837 112 P CB -0.147 31.553 31.700 -0.000 0.000 0.786 113 V N -0.479 119.436 119.914 0.002 0.000 2.295 113 V HA -0.197 3.923 4.120 -0.000 0.000 0.246 113 V C 2.444 178.539 176.094 0.003 0.000 1.049 113 V CA 1.812 64.113 62.300 0.002 0.000 1.024 113 V CB -1.268 30.557 31.823 0.003 0.000 0.648 113 V HN -0.029 nan 8.190 nan 0.000 0.447 114 V N 0.375 120.293 119.914 0.006 0.000 2.427 114 V HA -0.220 3.900 4.120 -0.000 0.000 0.248 114 V C 2.689 178.786 176.094 0.005 0.000 1.051 114 V CA 1.849 64.155 62.300 0.009 0.000 1.048 114 V CB -1.219 30.614 31.823 0.017 0.000 0.666 114 V HN 0.542 nan 8.190 nan 0.000 0.456 115 A N 0.081 122.903 122.820 0.003 0.000 1.858 115 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 115 A C 2.495 180.074 177.584 -0.009 0.000 1.190 115 A CA 2.260 54.294 52.037 -0.006 0.000 0.617 115 A CB -0.830 18.166 19.000 -0.008 0.000 0.827 115 A HN 0.505 nan 8.150 nan 0.000 0.443 116 S N -0.099 115.597 115.700 -0.007 0.000 2.383 116 S HA -0.128 4.341 4.470 -0.000 0.000 0.229 116 S C 1.763 176.360 174.600 -0.006 0.000 1.030 116 S CA 1.544 59.740 58.200 -0.007 0.000 1.002 116 S CB -0.510 62.687 63.200 -0.005 0.000 0.829 116 S HN 0.532 nan 8.310 nan 0.000 0.467 117 I N 1.443 122.011 120.570 -0.004 0.000 2.286 117 I HA -0.156 4.014 4.170 -0.000 0.000 0.245 117 I C 2.677 178.791 176.117 -0.004 0.000 1.104 117 I CA 1.002 62.301 61.300 -0.003 0.000 1.397 117 I CB -0.454 37.546 38.000 -0.000 0.000 1.072 117 I HN 0.272 nan 8.210 nan 0.000 0.417 118 A N 0.589 123.405 122.820 -0.006 0.000 1.930 118 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 118 A C 2.427 180.005 177.584 -0.011 0.000 1.175 118 A CA 1.444 53.476 52.037 -0.008 0.000 0.627 118 A CB -0.543 18.451 19.000 -0.011 0.000 0.815 118 A HN 0.294 nan 8.150 nan 0.000 0.443 119 R N -0.393 120.099 120.500 -0.014 0.000 2.115 119 R HA -0.076 4.264 4.340 -0.000 0.000 0.226 119 R C 2.248 178.542 176.300 -0.010 0.000 1.100 119 R CA 1.515 57.606 56.100 -0.016 0.000 0.980 119 R CB -0.170 30.118 30.300 -0.020 0.000 0.875 119 R HN 0.565 nan 8.270 nan 0.000 0.445 120 K N 0.594 120.989 120.400 -0.008 0.000 2.057 120 K HA -0.105 4.215 4.320 -0.000 0.000 0.206 120 K C 1.778 178.375 176.600 -0.005 0.000 1.050 120 K CA 1.167 57.450 56.287 -0.006 0.000 0.935 120 K CB -0.039 32.457 32.500 -0.006 0.000 0.715 120 K HN 0.187 nan 8.250 nan 0.000 0.439 121 L N -0.097 121.124 121.223 -0.004 0.000 2.549 121 L HA -0.001 4.339 4.340 -0.000 0.000 0.229 121 L C 1.281 178.151 176.870 0.001 0.000 1.158 121 L CA 0.779 55.618 54.840 -0.003 0.000 0.842 121 L CB -0.256 41.801 42.059 -0.004 0.000 0.952 121 L HN 0.624 nan 8.230 nan 0.000 0.452 122 G N -0.382 108.419 108.800 0.002 0.000 2.159 122 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.256 122 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.256 122 G C 0.419 175.334 174.900 0.025 0.000 0.977 122 G CA 0.005 45.110 45.100 0.009 0.000 0.652 122 G HN 0.548 nan 8.290 nan 0.000 0.531 123 A N -0.177 122.655 122.820 0.020 0.000 2.462 123 A HA 0.605 4.925 4.320 -0.000 0.000 0.243 123 A C 0.681 178.285 177.584 0.033 0.000 1.076 123 A CA 0.232 52.291 52.037 0.037 0.000 0.773 123 A CB 0.501 19.506 19.000 0.010 0.000 1.010 123 A HN 1.579 nan 8.150 nan 0.000 0.493 124 L N 2.747 124.022 121.223 0.086 0.000 2.530 124 L HA 0.250 4.590 4.340 -0.000 0.000 0.273 124 L C 0.209 177.030 176.870 -0.080 0.000 1.141 124 L CA 1.082 55.927 54.840 0.008 0.000 0.905 124 L CB -0.123 41.965 42.059 0.048 0.000 1.202 124 L HN 0.593 nan 8.230 nan 0.000 0.473 125 T N 5.282 119.773 114.554 -0.104 0.000 2.753 125 T HA 0.487 4.837 4.350 -0.000 0.000 0.297 125 T C -0.366 174.219 174.700 -0.192 0.000 0.981 125 T CA -0.363 61.656 62.100 -0.135 0.000 0.956 125 T CB 0.822 69.645 68.868 -0.076 0.000 0.936 125 T HN 0.330 nan 8.240 nan 0.000 0.463 126 V N 3.271 122.988 119.914 -0.329 0.000 2.378 126 V HA 0.649 4.769 4.120 -0.000 0.000 0.288 126 V C 0.772 176.768 176.094 -0.163 0.000 1.016 126 V CA -0.929 61.171 62.300 -0.334 0.000 0.840 126 V CB 1.691 33.120 31.823 -0.656 0.000 0.994 126 V HN 0.974 nan 8.190 nan 0.000 0.431 127 G N 3.359 112.128 108.800 -0.051 0.000 2.372 127 G HA2 0.553 4.512 3.960 -0.000 0.000 0.283 127 G HA3 0.553 4.512 3.960 -0.000 0.000 0.283 127 G C -0.799 174.144 174.900 0.073 0.000 1.177 127 G CA -0.303 44.811 45.100 0.023 0.000 0.842 127 G HN 0.609 nan 8.290 nan 0.000 0.503 128 V N 3.165 123.147 119.914 0.113 0.000 2.445 128 V HA 0.484 4.604 4.120 -0.000 0.000 0.283 128 V C 0.022 176.160 176.094 0.073 0.000 1.014 128 V CA -0.665 61.703 62.300 0.114 0.000 0.852 128 V CB 0.842 32.769 31.823 0.174 0.000 1.021 128 V HN 0.888 nan 8.190 nan 0.000 0.435 129 V N 1.494 121.434 119.914 0.043 0.000 3.040 129 V HA 0.959 5.079 4.120 -0.000 0.000 0.312 129 V C 0.018 176.110 176.094 -0.003 0.000 1.115 129 V CA -0.536 61.776 62.300 0.020 0.000 0.998 129 V CB 2.234 34.064 31.823 0.012 0.000 1.042 129 V HN 0.777 nan 8.190 nan 0.000 0.433 130 T N 0.353 114.894 114.554 -0.022 0.000 2.925 130 T HA 0.684 5.034 4.350 -0.000 0.000 0.285 130 T C -0.239 174.414 174.700 -0.077 0.000 1.021 130 T CA -0.706 61.358 62.100 -0.060 0.000 1.042 130 T CB 1.617 70.437 68.868 -0.080 0.000 1.037 130 T HN 0.892 nan 8.240 nan 0.000 0.481 131 R N 2.226 122.660 120.500 -0.111 0.000 2.349 131 R HA 0.429 4.768 4.340 -0.000 0.000 0.299 131 R C -2.246 173.940 176.300 -0.189 0.000 1.027 131 R CA -2.155 53.874 56.100 -0.118 0.000 0.958 131 R CB 0.783 31.017 30.300 -0.109 0.000 1.047 131 R HN 0.530 nan 8.270 nan 0.000 0.468 132 P HA -0.063 nan 4.420 nan 0.000 0.270 132 P C -0.694 176.439 177.300 -0.278 0.000 1.223 132 P CA 0.202 63.206 63.100 -0.160 0.000 0.785 132 P CB 0.405 32.078 31.700 -0.044 0.000 0.923 133 F N 0.145 119.914 119.950 -0.300 0.000 2.529 133 F HA -0.001 4.525 4.527 -0.002 0.000 0.365 133 F C 2.273 177.749 175.800 -0.542 0.000 1.102 133 F CA 0.498 58.146 58.000 -0.586 0.000 1.271 133 F CB -0.338 37.831 39.000 -1.385 0.000 1.120 133 F HN 0.270 nan 8.300 nan 0.000 0.579 134 S N 2.278 117.875 115.700 -0.171 0.000 2.400 134 S HA -0.286 4.183 4.470 -0.000 0.000 0.234 134 S C 1.804 176.374 174.600 -0.051 0.000 1.049 134 S CA 1.937 60.084 58.200 -0.089 0.000 1.039 134 S CB -0.604 62.588 63.200 -0.013 0.000 0.856 134 S HN 0.689 nan 8.310 nan 0.000 0.465 135 F N 1.679 121.688 119.950 0.098 0.000 2.641 135 F HA 0.155 4.682 4.527 -0.001 0.000 0.298 135 F C 1.498 177.341 175.800 0.071 0.000 1.146 135 F CA 0.204 58.233 58.000 0.049 0.000 1.464 135 F CB -0.969 38.022 39.000 -0.014 0.000 1.101 135 F HN 0.174 nan 8.300 nan 0.000 0.585 136 E N 0.867 121.120 120.200 0.089 0.000 2.482 136 E HA 0.305 4.655 4.350 -0.000 0.000 0.196 136 E C 0.937 177.616 176.600 0.132 0.000 1.047 136 E CA 0.416 56.933 56.400 0.195 0.000 0.869 136 E CB -0.231 29.547 29.700 0.130 0.000 0.836 136 E HN 0.557 nan 8.360 nan 0.000 0.520 137 G N 1.467 110.323 108.800 0.094 0.000 2.640 137 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.686 137 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.686 137 G C -0.127 174.798 174.900 0.040 0.000 1.229 137 G CA -0.296 44.846 45.100 0.070 0.000 0.796 137 G HN 0.045 nan 8.290 nan 0.000 0.654 138 K N 0.374 120.794 120.400 0.033 0.000 2.288 138 K HA 0.023 4.343 4.320 -0.000 0.000 0.201 138 K C 2.531 179.141 176.600 0.016 0.000 1.048 138 K CA 1.133 57.432 56.287 0.020 0.000 0.956 138 K CB -0.088 32.423 32.500 0.018 0.000 0.746 138 K HN 0.486 nan 8.250 nan 0.000 0.461 139 R N 0.869 121.382 120.500 0.021 0.000 2.091 139 R HA -0.134 4.206 4.340 -0.000 0.000 0.238 139 R C 1.937 178.246 176.300 0.015 0.000 1.136 139 R CA 1.516 57.627 56.100 0.018 0.000 0.959 139 R CB -0.025 30.288 30.300 0.022 0.000 0.856 139 R HN 0.168 nan 8.270 nan 0.000 0.437 140 R N -0.331 120.181 120.500 0.021 0.000 2.073 140 R HA -0.057 4.283 4.340 -0.000 0.000 0.229 140 R C 2.535 178.837 176.300 0.002 0.000 1.120 140 R CA 1.440 57.550 56.100 0.017 0.000 0.967 140 R CB -0.362 29.957 30.300 0.032 0.000 0.862 140 R HN 0.209 nan 8.270 nan 0.000 0.436 141 S N 0.994 116.693 115.700 -0.002 0.000 2.382 141 S HA -0.131 4.339 4.470 -0.000 0.000 0.228 141 S C 1.682 176.275 174.600 -0.012 0.000 1.027 141 S CA 1.307 59.498 58.200 -0.015 0.000 0.991 141 S CB -0.129 63.061 63.200 -0.017 0.000 0.823 141 S HN 0.242 nan 8.310 nan 0.000 0.469 142 N N 1.135 119.833 118.700 -0.004 0.000 2.142 142 N HA 0.010 4.750 4.740 -0.000 0.000 0.186 142 N C 1.948 177.456 175.510 -0.004 0.000 1.023 142 N CA 1.236 54.284 53.050 -0.004 0.000 0.852 142 N CB -0.438 38.050 38.487 0.001 0.000 0.998 142 N HN 0.604 nan 8.380 nan 0.000 0.424 143 Q N -0.219 119.580 119.800 -0.002 0.000 2.172 143 Q HA 0.081 4.421 4.340 -0.000 0.000 0.200 143 Q C 1.937 177.933 176.000 -0.006 0.000 0.964 143 Q CA 1.204 57.006 55.803 -0.002 0.000 0.855 143 Q CB -0.033 28.706 28.738 0.001 0.000 0.918 143 Q HN 0.362 nan 8.270 nan 0.000 0.444 144 A N 0.932 123.746 122.820 -0.010 0.000 1.898 144 A HA -0.223 4.097 4.320 -0.000 0.000 0.216 144 A C 1.916 179.491 177.584 -0.016 0.000 1.181 144 A CA 1.535 53.563 52.037 -0.015 0.000 0.620 144 A CB -0.379 18.606 19.000 -0.025 0.000 0.819 144 A HN 0.240 nan 8.150 nan 0.000 0.442 145 E N 1.036 121.227 120.200 -0.015 0.000 2.049 145 E HA -0.201 4.149 4.350 -0.000 0.000 0.198 145 E C 1.815 178.409 176.600 -0.010 0.000 1.007 145 E CA 1.980 58.371 56.400 -0.014 0.000 0.809 145 E CB -0.271 29.421 29.700 -0.013 0.000 0.749 145 E HN 0.613 nan 8.360 nan 0.000 0.450 146 N N -0.302 118.393 118.700 -0.007 0.000 2.188 146 N HA -0.092 4.648 4.740 -0.000 0.000 0.184 146 N C 1.840 177.347 175.510 -0.005 0.000 1.018 146 N CA 1.233 54.280 53.050 -0.005 0.000 0.858 146 N CB -0.796 37.689 38.487 -0.003 0.000 0.989 146 N HN 0.326 nan 8.380 nan 0.000 0.426 147 G N 1.622 110.419 108.800 -0.005 0.000 2.446 147 G HA2 -0.191 3.768 3.960 -0.000 0.000 0.217 147 G HA3 -0.191 3.768 3.960 -0.000 0.000 0.217 147 G C 1.636 176.533 174.900 -0.004 0.000 1.168 147 G CA 0.478 45.575 45.100 -0.005 0.000 0.771 147 G HN 0.278 nan 8.290 nan 0.000 0.551 148 I N 1.161 121.727 120.570 -0.007 0.000 2.353 148 I HA -0.060 4.109 4.170 -0.000 0.000 0.248 148 I C 3.246 179.361 176.117 -0.004 0.000 1.119 148 I CA 0.703 62.000 61.300 -0.005 0.000 1.417 148 I CB -0.148 37.846 38.000 -0.010 0.000 1.078 148 I HN 0.240 nan 8.210 nan 0.000 0.421 149 A N 0.925 123.742 122.820 -0.004 0.000 1.908 149 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 149 A C 2.533 180.115 177.584 -0.003 0.000 1.181 149 A CA 1.987 54.022 52.037 -0.003 0.000 0.627 149 A CB -0.764 18.234 19.000 -0.004 0.000 0.818 149 A HN 0.423 nan 8.150 nan 0.000 0.445 150 A N -0.675 122.143 122.820 -0.003 0.000 1.855 150 A HA 0.016 4.336 4.320 -0.000 0.000 0.215 150 A C 2.090 179.672 177.584 -0.003 0.000 1.191 150 A CA 1.639 53.674 52.037 -0.003 0.000 0.613 150 A CB -0.716 18.283 19.000 -0.002 0.000 0.829 150 A HN 0.598 nan 8.150 nan 0.000 0.442 151 L N 0.063 121.284 121.223 -0.002 0.000 2.081 151 L HA -0.158 4.181 4.340 -0.000 0.000 0.212 151 L C 2.427 179.294 176.870 -0.004 0.000 1.080 151 L CA 2.195 57.034 54.840 -0.002 0.000 0.754 151 L CB -0.718 41.342 42.059 0.001 0.000 0.893 151 L HN 0.467 nan 8.230 nan 0.000 0.433 152 R N -0.531 119.967 120.500 -0.003 0.000 2.105 152 R HA -0.192 4.148 4.340 -0.000 0.000 0.239 152 R C 2.096 178.391 176.300 -0.007 0.000 1.135 152 R CA 1.840 57.939 56.100 -0.003 0.000 0.967 152 R CB -0.112 30.189 30.300 0.002 0.000 0.861 152 R HN 0.515 nan 8.270 nan 0.000 0.442 153 E N -0.843 119.353 120.200 -0.007 0.000 2.274 153 E HA -0.064 4.285 4.350 -0.000 0.000 0.194 153 E C 1.434 178.027 176.600 -0.012 0.000 0.996 153 E CA 1.154 57.549 56.400 -0.009 0.000 0.840 153 E CB 0.310 30.006 29.700 -0.007 0.000 0.772 153 E HN 0.257 nan 8.360 nan 0.000 0.491 154 S N -0.532 115.161 115.700 -0.012 0.000 2.503 154 S HA 0.088 4.558 4.470 -0.000 0.000 0.215 154 S C 0.462 175.048 174.600 -0.022 0.000 1.003 154 S CA -0.225 57.967 58.200 -0.015 0.000 0.910 154 S CB 0.499 63.692 63.200 -0.011 0.000 0.790 154 S HN 0.168 nan 8.310 nan 0.000 0.514 155 C N 2.233 121.517 119.300 -0.025 0.000 2.397 155 C HA 0.391 4.851 4.460 -0.000 0.000 0.343 155 C C 1.565 176.528 174.990 -0.046 0.000 1.188 155 C CA -0.912 58.082 59.018 -0.039 0.000 1.992 155 C CB 1.142 28.860 27.740 -0.037 0.000 2.358 155 C HN 0.438 nan 8.230 nan 0.000 0.518 156 D N 0.664 121.025 120.400 -0.064 0.000 2.084 156 D HA -0.050 4.590 4.640 -0.000 0.000 0.194 156 D C 0.500 176.760 176.300 -0.067 0.000 0.990 156 D CA 1.597 55.555 54.000 -0.070 0.000 0.826 156 D CB 0.219 40.965 40.800 -0.090 0.000 0.971 156 D HN 0.551 nan 8.370 nan 0.000 0.453 157 T N 0.194 114.702 114.554 -0.076 0.000 2.886 157 T HA 0.456 4.806 4.350 -0.000 0.000 0.292 157 T C -1.066 173.610 174.700 -0.040 0.000 1.012 157 T CA -0.579 61.486 62.100 -0.057 0.000 0.982 157 T CB 2.352 71.177 68.868 -0.072 0.000 1.018 157 T HN -0.135 nan 8.240 nan 0.000 0.451 158 L N 4.653 125.871 121.223 -0.009 0.000 2.377 158 L HA 0.621 4.961 4.340 -0.000 0.000 0.270 158 L C -1.116 175.773 176.870 0.031 0.000 0.991 158 L CA -0.490 54.355 54.840 0.009 0.000 0.851 158 L CB 0.517 42.581 42.059 0.009 0.000 1.218 158 L HN 0.634 nan 8.230 nan 0.000 0.420 159 I N 5.655 126.251 120.570 0.043 0.000 2.396 159 I HA 0.285 4.455 4.170 -0.000 0.000 0.289 159 I C -0.384 175.758 176.117 0.041 0.000 1.056 159 I CA -0.422 60.912 61.300 0.056 0.000 1.365 159 I CB 1.114 39.157 38.000 0.072 0.000 1.407 159 I HN 0.267 nan 8.210 nan 0.000 0.509 160 V N 8.073 128.005 119.914 0.030 0.000 2.384 160 V HA 0.413 4.533 4.120 -0.000 0.000 0.287 160 V C 0.043 176.134 176.094 -0.006 0.000 1.020 160 V CA -0.475 61.828 62.300 0.006 0.000 0.850 160 V CB 1.530 33.350 31.823 -0.006 0.000 0.987 160 V HN 0.467 nan 8.190 nan 0.000 0.436 161 I N 7.713 128.272 120.570 -0.018 0.000 2.330 161 I HA 0.370 4.540 4.170 -0.000 0.000 0.289 161 I C -2.313 173.761 176.117 -0.072 0.000 1.001 161 I CA -1.990 59.292 61.300 -0.031 0.000 1.193 161 I CB 2.239 40.227 38.000 -0.021 0.000 1.345 161 I HN 0.425 nan 8.210 nan 0.000 0.461 162 P HA 0.193 nan 4.420 nan 0.000 0.281 162 P C -0.200 177.001 177.300 -0.165 0.000 1.286 162 P CA -0.265 62.766 63.100 -0.115 0.000 0.772 162 P CB 0.875 32.526 31.700 -0.082 0.000 0.862 163 N N 2.623 121.135 118.700 -0.312 0.000 2.149 163 N HA -0.158 4.582 4.740 -0.000 0.000 0.188 163 N C 0.957 176.291 175.510 -0.294 0.000 1.019 163 N CA 1.372 54.090 53.050 -0.555 0.000 0.857 163 N CB -0.472 37.164 38.487 -1.419 0.000 0.997 163 N HN 0.417 nan 8.380 nan 0.000 0.426 164 D N 0.459 120.770 120.400 -0.148 0.000 2.158 164 D HA -0.127 4.512 4.640 -0.000 0.000 0.197 164 D C 1.839 178.179 176.300 0.067 0.000 0.995 164 D CA 0.800 54.836 54.000 0.061 0.000 0.846 164 D CB -0.051 40.762 40.800 0.021 0.000 0.941 164 D HN 0.184 nan 8.370 nan 0.000 0.456 165 R N 0.147 120.651 120.500 0.005 0.000 2.189 165 R HA 0.033 4.373 4.340 -0.000 0.000 0.223 165 R C 2.404 178.727 176.300 0.038 0.000 1.092 165 R CA 0.111 56.221 56.100 0.015 0.000 0.989 165 R CB -0.658 29.636 30.300 -0.009 0.000 0.876 165 R HN 0.333 nan 8.270 nan 0.000 0.457 166 L N 0.456 121.709 121.223 0.050 0.000 2.275 166 L HA -0.081 4.259 4.340 -0.000 0.000 0.215 166 L C 2.128 179.065 176.870 0.113 0.000 1.119 166 L CA 0.726 55.613 54.840 0.078 0.000 0.790 166 L CB -0.297 41.819 42.059 0.094 0.000 0.919 166 L HN 0.100 nan 8.230 nan 0.000 0.443 167 L N -0.908 120.406 121.223 0.151 0.000 2.291 167 L HA -0.162 4.178 4.340 -0.000 0.000 0.214 167 L C 2.014 178.923 176.870 0.066 0.000 1.120 167 L CA 0.770 55.681 54.840 0.117 0.000 0.799 167 L CB -0.322 41.821 42.059 0.141 0.000 0.925 167 L HN 0.336 nan 8.230 nan 0.000 0.446 168 Q N -0.381 119.453 119.800 0.056 0.000 2.466 168 Q HA 0.118 4.458 4.340 -0.000 0.000 0.210 168 Q C 0.075 176.094 176.000 0.032 0.000 0.961 168 Q CA 0.350 56.175 55.803 0.037 0.000 0.953 168 Q CB 0.214 28.969 28.738 0.029 0.000 1.011 168 Q HN 0.487 nan 8.270 nan 0.000 0.516 169 M N -1.899 117.724 119.600 0.038 0.000 2.775 169 M HA 0.539 5.019 4.480 -0.000 0.000 0.296 169 M C 0.646 176.965 176.300 0.032 0.000 1.248 169 M CA -0.407 54.912 55.300 0.032 0.000 0.800 169 M CB 1.646 34.267 32.600 0.034 0.000 1.765 169 M HN 0.116 nan 8.290 nan 0.000 0.472 170 G N 0.534 109.351 108.800 0.028 0.000 2.574 170 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.282 170 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.282 170 G C -0.990 173.921 174.900 0.018 0.000 1.257 170 G CA -0.212 44.903 45.100 0.025 0.000 0.956 170 G HN 0.711 nan 8.290 nan 0.000 0.560 171 D N 1.161 121.569 120.400 0.014 0.000 2.302 171 D HA 0.518 5.158 4.640 -0.000 0.000 0.248 171 D C 1.258 177.559 176.300 0.001 0.000 1.094 171 D CA 0.506 54.509 54.000 0.005 0.000 0.897 171 D CB 1.326 42.126 40.800 0.001 0.000 1.200 171 D HN 0.800 nan 8.370 nan 0.000 0.429 172 A N 1.835 124.653 122.820 -0.003 0.000 2.119 172 A HA 0.144 4.464 4.320 -0.000 0.000 0.216 172 A C 1.353 178.926 177.584 -0.020 0.000 1.152 172 A CA 0.876 52.908 52.037 -0.008 0.000 0.708 172 A CB 0.128 19.126 19.000 -0.005 0.000 0.805 172 A HN 0.493 nan 8.150 nan 0.000 0.460 173 A N 0.443 123.250 122.820 -0.021 0.000 2.833 173 A HA 0.494 4.814 4.320 -0.000 0.000 0.293 173 A C 0.523 178.085 177.584 -0.037 0.000 1.338 173 A CA 0.038 52.057 52.037 -0.030 0.000 0.959 173 A CB -0.998 17.988 19.000 -0.024 0.000 1.094 173 A HN 0.817 nan 8.150 nan 0.000 0.569 174 V N -0.120 119.768 119.914 -0.043 0.000 2.488 174 V HA 0.542 4.662 4.120 -0.000 0.000 0.277 174 V C 0.635 176.677 176.094 -0.086 0.000 1.046 174 V CA -0.133 62.137 62.300 -0.051 0.000 0.986 174 V CB 0.394 32.194 31.823 -0.039 0.000 0.989 174 V HN 0.579 nan 8.190 nan 0.000 0.475 175 S N 4.450 120.104 115.700 -0.076 0.000 2.633 175 S HA 0.244 4.714 4.470 -0.000 0.000 0.257 175 S C 0.837 175.355 174.600 -0.136 0.000 1.265 175 S CA 0.245 58.386 58.200 -0.099 0.000 0.980 175 S CB 0.932 64.095 63.200 -0.062 0.000 1.017 175 S HN 1.014 nan 8.310 nan 0.000 0.577 176 L N 0.636 121.772 121.223 -0.146 0.000 2.240 176 L HA 0.277 4.617 4.340 -0.000 0.000 0.211 176 L C 2.375 179.210 176.870 -0.059 0.000 1.106 176 L CA 1.402 56.122 54.840 -0.199 0.000 0.793 176 L CB -0.631 41.314 42.059 -0.191 0.000 0.927 176 L HN 0.906 nan 8.230 nan 0.000 0.446 177 M N -1.163 118.456 119.600 0.031 0.000 2.193 177 M HA -0.137 4.342 4.480 -0.000 0.000 0.265 177 M C 1.423 177.790 176.300 0.111 0.000 1.071 177 M CA 1.481 56.857 55.300 0.127 0.000 1.140 177 M CB -0.112 32.539 32.600 0.085 0.000 1.369 177 M HN 0.193 nan 8.290 nan 0.000 0.423 178 D N 0.640 121.064 120.400 0.040 0.000 2.218 178 D HA -0.085 4.555 4.640 -0.000 0.000 0.204 178 D C 1.848 178.178 176.300 0.051 0.000 0.976 178 D CA 1.349 55.374 54.000 0.041 0.000 0.853 178 D CB -0.139 40.666 40.800 0.008 0.000 0.939 178 D HN 0.436 nan 8.370 nan 0.000 0.481 179 A N 0.086 122.895 122.820 -0.019 0.000 1.877 179 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 179 A C 2.087 179.760 177.584 0.150 0.000 1.186 179 A CA 0.929 52.950 52.037 -0.027 0.000 0.620 179 A CB -1.000 17.774 19.000 -0.377 0.000 0.822 179 A HN 0.224 nan 8.150 nan 0.000 0.443 180 F N -0.646 119.435 119.950 0.219 0.000 2.367 180 F HA -0.027 4.500 4.527 0.000 0.000 0.298 180 F C 2.570 178.444 175.800 0.122 0.000 1.094 180 F CA 0.604 58.732 58.000 0.214 0.000 1.409 180 F CB -0.002 39.107 39.000 0.181 0.000 1.064 180 F HN 0.104 nan 8.300 nan 0.000 0.528 181 R N -0.540 120.115 120.500 0.259 0.000 2.189 181 R HA -0.076 4.264 4.340 -0.000 0.000 0.223 181 R C 2.082 178.458 176.300 0.127 0.000 1.092 181 R CA 1.151 57.342 56.100 0.153 0.000 0.989 181 R CB -0.298 30.063 30.300 0.102 0.000 0.876 181 R HN 0.119 nan 8.270 nan 0.000 0.457 182 S N 0.376 116.161 115.700 0.143 0.000 2.446 182 S HA 0.016 4.486 4.470 -0.000 0.000 0.225 182 S C 1.911 176.582 174.600 0.117 0.000 1.016 182 S CA 0.777 59.045 58.200 0.113 0.000 0.943 182 S CB 0.273 63.541 63.200 0.113 0.000 0.786 182 S HN 0.422 nan 8.310 nan 0.000 0.508 183 A N 1.991 124.913 122.820 0.171 0.000 1.930 183 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 183 A C 1.741 179.384 177.584 0.099 0.000 1.175 183 A CA 1.493 53.612 52.037 0.136 0.000 0.627 183 A CB -0.476 18.658 19.000 0.222 0.000 0.815 183 A HN 0.313 nan 8.150 nan 0.000 0.443 184 D N -0.543 119.921 120.400 0.106 0.000 2.097 184 D HA -0.122 4.518 4.640 -0.000 0.000 0.197 184 D C 1.914 178.240 176.300 0.044 0.000 0.984 184 D CA 1.614 55.652 54.000 0.063 0.000 0.826 184 D CB -0.365 40.469 40.800 0.057 0.000 0.973 184 D HN 0.565 nan 8.370 nan 0.000 0.460 185 E N 0.805 121.035 120.200 0.048 0.000 2.058 185 E HA -0.147 4.203 4.350 -0.000 0.000 0.194 185 E C 1.988 178.608 176.600 0.033 0.000 0.997 185 E CA 0.782 57.203 56.400 0.035 0.000 0.801 185 E CB -0.446 29.277 29.700 0.040 0.000 0.746 185 E HN 0.056 nan 8.360 nan 0.000 0.450 186 V N -0.029 119.909 119.914 0.039 0.000 2.626 186 V HA -0.150 3.970 4.120 -0.000 0.000 0.252 186 V C 2.126 178.238 176.094 0.030 0.000 1.067 186 V CA 1.435 63.755 62.300 0.033 0.000 1.081 186 V CB -0.228 31.613 31.823 0.030 0.000 0.686 186 V HN 0.330 nan 8.190 nan 0.000 0.468 187 L N -0.888 120.354 121.223 0.031 0.000 2.044 187 L HA -0.108 4.232 4.340 -0.000 0.000 0.205 187 L C 2.416 179.298 176.870 0.021 0.000 1.075 187 L CA 1.537 56.396 54.840 0.032 0.000 0.747 187 L CB -0.692 41.388 42.059 0.035 0.000 0.903 187 L HN 0.420 nan 8.230 nan 0.000 0.435 188 L N 0.454 121.686 121.223 0.015 0.000 1.971 188 L HA -0.271 4.069 4.340 -0.000 0.000 0.215 188 L C 2.269 179.138 176.870 -0.002 0.000 1.072 188 L CA 1.944 56.785 54.840 0.003 0.000 0.758 188 L CB -1.037 41.025 42.059 0.004 0.000 0.889 188 L HN 0.245 nan 8.230 nan 0.000 0.433 189 N N 0.472 119.179 118.700 0.011 0.000 2.069 189 N HA -0.201 4.539 4.740 -0.000 0.000 0.196 189 N C 1.799 177.319 175.510 0.017 0.000 1.024 189 N CA 1.834 54.893 53.050 0.016 0.000 0.869 189 N CB -1.135 37.367 38.487 0.024 0.000 1.035 189 N HN 0.634 nan 8.380 nan 0.000 0.434 190 G N 0.342 109.158 108.800 0.026 0.000 2.408 190 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.217 190 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.217 190 G C 1.766 176.691 174.900 0.043 0.000 1.150 190 G CA 0.729 45.860 45.100 0.051 0.000 0.776 190 G HN 0.222 nan 8.290 nan 0.000 0.542 191 V N 0.317 120.199 119.914 -0.053 0.000 2.255 191 V HA -0.179 3.941 4.120 -0.000 0.000 0.243 191 V C 2.722 178.673 176.094 -0.239 0.000 1.038 191 V CA 2.215 64.330 62.300 -0.309 0.000 1.008 191 V CB -0.550 31.013 31.823 -0.433 0.000 0.645 191 V HN 0.468 nan 8.190 nan 0.000 0.449 192 Q N 0.235 119.963 119.800 -0.120 0.000 2.112 192 Q HA -0.201 4.139 4.340 -0.000 0.000 0.206 192 Q C 2.202 178.192 176.000 -0.017 0.000 0.987 192 Q CA 2.261 58.029 55.803 -0.058 0.000 0.858 192 Q CB -0.653 28.075 28.738 -0.016 0.000 0.905 192 Q HN 0.655 nan 8.270 nan 0.000 0.420 193 G N 0.622 109.425 108.800 0.005 0.000 2.469 193 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.219 193 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.219 193 G C 1.315 176.244 174.900 0.048 0.000 1.150 193 G CA 1.263 46.381 45.100 0.030 0.000 0.763 193 G HN 0.411 nan 8.290 nan 0.000 0.561 194 I N 0.848 121.462 120.570 0.072 0.000 2.296 194 I HA -0.061 4.109 4.170 -0.000 0.000 0.242 194 I C 3.180 179.369 176.117 0.120 0.000 1.087 194 I CA 1.571 62.949 61.300 0.129 0.000 1.393 194 I CB -0.641 37.521 38.000 0.271 0.000 1.093 194 I HN 0.266 nan 8.210 nan 0.000 0.421 195 T N -2.175 112.419 114.554 0.067 0.000 2.833 195 T HA -0.164 4.185 4.350 -0.000 0.000 0.269 195 T C 1.468 176.192 174.700 0.040 0.000 1.054 195 T CA 1.389 63.523 62.100 0.056 0.000 1.135 195 T CB -0.463 68.361 68.868 -0.073 0.000 0.869 195 T HN 0.127 nan 8.240 nan 0.000 0.466 196 D N 0.995 121.409 120.400 0.023 0.000 2.264 196 D HA 0.084 4.724 4.640 -0.000 0.000 0.208 196 D C 1.907 178.231 176.300 0.040 0.000 0.966 196 D CA 0.339 54.355 54.000 0.026 0.000 0.864 196 D CB -0.333 40.479 40.800 0.021 0.000 0.933 196 D HN 0.389 nan 8.370 nan 0.000 0.499 197 L N -0.136 121.119 121.223 0.053 0.000 2.093 197 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 197 L C 2.140 179.048 176.870 0.063 0.000 1.085 197 L CA 0.762 55.636 54.840 0.057 0.000 0.755 197 L CB -0.087 42.008 42.059 0.060 0.000 0.904 197 L HN 0.079 nan 8.230 nan 0.000 0.435 198 I N -1.146 119.471 120.570 0.078 0.000 2.585 198 I HA -0.146 4.024 4.170 -0.000 0.000 0.254 198 I C 2.505 178.656 176.117 0.057 0.000 1.129 198 I CA 1.373 62.727 61.300 0.090 0.000 1.455 198 I CB -0.209 37.877 38.000 0.143 0.000 1.111 198 I HN 0.321 nan 8.210 nan 0.000 0.433 199 T N -3.934 110.644 114.554 0.040 0.000 3.031 199 T HA -0.030 4.320 4.350 -0.000 0.000 0.254 199 T C 1.191 175.903 174.700 0.020 0.000 1.060 199 T CA 0.710 62.822 62.100 0.020 0.000 1.135 199 T CB 0.064 68.935 68.868 0.005 0.000 0.896 199 T HN 0.164 nan 8.240 nan 0.000 0.472 200 T N 3.873 118.443 114.554 0.025 0.000 3.583 200 T HA 0.390 4.740 4.350 -0.000 0.000 0.266 200 T C -3.144 171.573 174.700 0.028 0.000 1.296 200 T CA -1.565 60.549 62.100 0.024 0.000 1.668 200 T CB 0.825 69.705 68.868 0.021 0.000 0.832 200 T HN 0.098 nan 8.240 nan 0.000 0.649 201 P HA 0.386 nan 4.420 nan 0.000 0.274 201 P C 0.635 177.954 177.300 0.031 0.000 1.231 201 P CA 0.089 63.209 63.100 0.035 0.000 0.790 201 P CB 1.098 32.820 31.700 0.036 0.000 0.951 202 G N 1.053 109.872 108.800 0.033 0.000 2.630 202 G HA2 0.219 4.179 3.960 -0.000 0.000 0.223 202 G HA3 0.219 4.179 3.960 -0.000 0.000 0.223 202 G C 1.206 176.124 174.900 0.030 0.000 1.434 202 G CA -0.721 44.397 45.100 0.030 0.000 1.057 202 G HN 0.403 nan 8.290 nan 0.000 0.570 203 L N -0.541 120.699 121.223 0.028 0.000 2.081 203 L HA -0.008 4.332 4.340 -0.000 0.000 0.212 203 L C 0.814 177.702 176.870 0.029 0.000 1.080 203 L CA 1.139 55.995 54.840 0.027 0.000 0.754 203 L CB -0.389 41.685 42.059 0.025 0.000 0.893 203 L HN 0.168 nan 8.230 nan 0.000 0.433 204 I N 0.559 121.150 120.570 0.035 0.000 2.330 204 I HA 0.115 4.284 4.170 -0.000 0.000 0.286 204 I C -0.026 176.120 176.117 0.047 0.000 1.025 204 I CA -0.245 61.080 61.300 0.042 0.000 1.197 204 I CB 0.983 39.014 38.000 0.052 0.000 1.358 204 I HN 0.072 nan 8.210 nan 0.000 0.467 205 N N 6.554 125.279 118.700 0.041 0.000 2.422 205 N HA 0.245 4.984 4.740 -0.000 0.000 0.264 205 N C -1.224 174.311 175.510 0.041 0.000 1.063 205 N CA -0.099 52.975 53.050 0.040 0.000 0.959 205 N CB 1.651 40.159 38.487 0.035 0.000 1.087 205 N HN 0.236 nan 8.380 nan 0.000 0.483 206 V N 4.479 124.418 119.914 0.043 0.000 2.326 206 V HA 0.147 4.267 4.120 -0.000 0.000 0.281 206 V C -0.123 175.996 176.094 0.042 0.000 1.015 206 V CA -0.837 61.484 62.300 0.034 0.000 0.823 206 V CB 1.200 33.041 31.823 0.029 0.000 1.009 206 V HN 0.722 nan 8.190 nan 0.000 0.436 207 D N 3.082 123.506 120.400 0.040 0.000 2.506 207 D HA 0.147 4.787 4.640 -0.000 0.000 0.272 207 D C 1.114 177.465 176.300 0.086 0.000 1.214 207 D CA -0.757 53.288 54.000 0.075 0.000 1.067 207 D CB 0.599 41.446 40.800 0.078 0.000 1.117 207 D HN 0.225 nan 8.370 nan 0.000 0.578 208 F N 0.502 120.456 119.950 0.006 0.000 2.126 208 F HA -0.062 4.465 4.527 -0.000 0.000 0.299 208 F C 2.261 178.057 175.800 -0.007 0.000 1.096 208 F CA 2.089 60.090 58.000 0.002 0.000 1.255 208 F CB -0.680 38.321 39.000 0.002 0.000 0.997 208 F HN 0.394 nan 8.300 nan 0.000 0.479 209 A N 0.103 122.846 122.820 -0.128 0.000 1.908 209 A HA -0.211 4.108 4.320 -0.000 0.000 0.218 209 A C 2.022 179.481 177.584 -0.209 0.000 1.181 209 A CA 2.046 53.966 52.037 -0.195 0.000 0.627 209 A CB -1.015 17.959 19.000 -0.044 0.000 0.818 209 A HN 0.467 nan 8.150 nan 0.000 0.445 210 D N -0.372 119.949 120.400 -0.131 0.000 2.117 210 D HA -0.087 4.553 4.640 -0.000 0.000 0.198 210 D C 2.062 178.273 176.300 -0.148 0.000 0.982 210 D CA 1.477 55.412 54.000 -0.107 0.000 0.828 210 D CB -0.383 40.385 40.800 -0.053 0.000 0.967 210 D HN 0.251 nan 8.370 nan 0.000 0.464 211 V N 0.947 120.752 119.914 -0.182 0.000 2.453 211 V HA -0.166 3.953 4.120 -0.000 0.000 0.247 211 V C 2.454 178.395 176.094 -0.256 0.000 1.048 211 V CA 1.219 63.417 62.300 -0.169 0.000 1.049 211 V CB -0.336 31.430 31.823 -0.096 0.000 0.672 211 V HN 0.122 nan 8.190 nan 0.000 0.457 212 K N 0.454 120.586 120.400 -0.448 0.000 2.032 212 K HA -0.163 4.157 4.320 -0.000 0.000 0.209 212 K C 2.169 178.611 176.600 -0.263 0.000 1.048 212 K CA 1.746 57.757 56.287 -0.460 0.000 0.927 212 K CB -0.651 31.412 32.500 -0.730 0.000 0.712 212 K HN 0.475 nan 8.250 nan 0.000 0.441 213 G N 1.419 110.085 108.800 -0.222 0.000 2.446 213 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.217 213 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.217 213 G C 1.487 176.308 174.900 -0.131 0.000 1.168 213 G CA 1.053 46.063 45.100 -0.150 0.000 0.771 213 G HN 0.440 nan 8.290 nan 0.000 0.551 214 I N -0.361 120.129 120.570 -0.134 0.000 2.500 214 I HA 0.125 4.294 4.170 -0.000 0.000 0.252 214 I C 2.434 178.477 176.117 -0.124 0.000 1.142 214 I CA 0.759 61.984 61.300 -0.124 0.000 1.451 214 I CB 0.137 38.064 38.000 -0.122 0.000 1.093 214 I HN 0.132 nan 8.210 nan 0.000 0.430 215 M N -0.396 119.125 119.600 -0.131 0.000 2.509 215 M HA 0.122 4.602 4.480 -0.000 0.000 0.250 215 M C 0.682 176.911 176.300 -0.118 0.000 1.132 215 M CA -0.006 55.221 55.300 -0.121 0.000 1.080 215 M CB 0.165 32.693 32.600 -0.121 0.000 1.408 215 M HN -0.008 nan 8.290 nan 0.000 0.484 216 S N 1.363 116.988 115.700 -0.124 0.000 2.515 216 S HA 0.255 4.725 4.470 -0.000 0.000 0.285 216 S C 1.174 175.722 174.600 -0.086 0.000 1.265 216 S CA 0.371 58.508 58.200 -0.104 0.000 1.079 216 S CB 0.320 63.459 63.200 -0.103 0.000 0.877 216 S HN 0.734 nan 8.310 nan 0.000 0.493 217 G N 2.554 111.310 108.800 -0.073 0.000 2.361 217 G HA2 -0.307 3.652 3.960 -0.000 0.000 0.294 217 G HA3 -0.307 3.652 3.960 -0.000 0.000 0.294 217 G C 0.849 175.709 174.900 -0.065 0.000 1.004 217 G CA 0.405 45.469 45.100 -0.061 0.000 0.870 217 G HN 0.999 nan 8.290 nan 0.000 0.510 218 A N -1.215 121.559 122.820 -0.076 0.000 2.014 218 A HA 0.520 4.840 4.320 -0.000 0.000 0.218 218 A C 2.500 180.044 177.584 -0.067 0.000 1.163 218 A CA 2.084 54.070 52.037 -0.085 0.000 0.652 218 A CB -0.268 18.671 19.000 -0.103 0.000 0.808 218 A HN 2.651 nan 8.150 nan 0.000 0.449 219 G N -1.853 106.920 108.800 -0.044 0.000 2.475 219 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.223 219 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.223 219 G C 0.248 175.153 174.900 0.007 0.000 1.201 219 G CA 0.092 45.182 45.100 -0.017 0.000 0.962 219 G HN 0.989 nan 8.290 nan 0.000 0.586 220 T N 0.476 115.059 114.554 0.048 0.000 2.913 220 T HA 0.734 5.084 4.350 -0.000 0.000 0.297 220 T C 0.331 175.131 174.700 0.166 0.000 1.029 220 T CA 1.327 63.481 62.100 0.089 0.000 1.104 220 T CB 0.482 69.406 68.868 0.093 0.000 0.964 220 T HN 2.224 nan 8.240 nan 0.000 0.532 221 A N 3.994 126.914 122.820 0.166 0.000 2.606 221 A HA 0.780 5.100 4.320 -0.000 0.000 0.293 221 A C -1.573 176.125 177.584 0.190 0.000 1.082 221 A CA -0.794 51.372 52.037 0.215 0.000 0.685 221 A CB 1.244 20.293 19.000 0.082 0.000 1.284 221 A HN 0.802 nan 8.150 nan 0.000 0.408 222 L N 1.019 122.381 121.223 0.232 0.000 2.323 222 L HA 0.823 5.163 4.340 -0.000 0.000 0.265 222 L C -0.043 176.893 176.870 0.110 0.000 1.012 222 L CA -0.716 54.203 54.840 0.132 0.000 0.820 222 L CB 2.108 44.230 42.059 0.104 0.000 1.334 222 L HN 0.947 nan 8.230 nan 0.000 0.427 223 M N -0.125 119.517 119.600 0.071 0.000 2.662 223 M HA 0.926 5.406 4.480 -0.000 0.000 0.310 223 M C -0.512 175.817 176.300 0.048 0.000 1.204 223 M CA -0.476 54.859 55.300 0.059 0.000 0.891 223 M CB 2.257 34.889 32.600 0.052 0.000 1.732 223 M HN 0.478 nan 8.290 nan 0.000 0.467 224 G N 2.451 111.278 108.800 0.045 0.000 2.662 224 G HA2 0.728 4.688 3.960 -0.000 0.000 0.302 224 G HA3 0.728 4.688 3.960 -0.000 0.000 0.302 224 G C -1.286 173.635 174.900 0.036 0.000 1.389 224 G CA -1.007 44.117 45.100 0.039 0.000 0.998 224 G HN 1.033 nan 8.290 nan 0.000 0.502 225 I N -0.244 120.345 120.570 0.033 0.000 2.785 225 I HA 0.989 5.159 4.170 -0.000 0.000 0.302 225 I C 0.133 176.268 176.117 0.029 0.000 1.069 225 I CA -1.296 60.023 61.300 0.031 0.000 1.045 225 I CB 2.747 40.765 38.000 0.030 0.000 1.236 225 I HN 0.702 nan 8.210 nan 0.000 0.429 226 G N 2.100 110.917 108.800 0.029 0.000 2.733 226 G HA2 0.683 4.643 3.960 -0.000 0.000 0.297 226 G HA3 0.683 4.643 3.960 -0.000 0.000 0.297 226 G C -1.371 173.544 174.900 0.024 0.000 1.422 226 G CA -0.481 44.634 45.100 0.026 0.000 0.942 226 G HN 0.984 nan 8.290 nan 0.000 0.510 227 S N -0.674 115.038 115.700 0.021 0.000 2.618 227 S HA 0.989 5.459 4.470 -0.000 0.000 0.277 227 S C -0.404 174.206 174.600 0.017 0.000 1.138 227 S CA -0.220 57.991 58.200 0.019 0.000 0.844 227 S CB 2.035 65.247 63.200 0.020 0.000 1.127 227 S HN 2.464 nan 8.310 nan 0.000 0.474 228 A N 0.712 123.542 122.820 0.016 0.000 2.566 228 A HA 0.849 5.169 4.320 -0.000 0.000 0.290 228 A C -1.351 176.242 177.584 0.014 0.000 1.071 228 A CA -1.079 50.966 52.037 0.014 0.000 0.658 228 A CB 1.140 20.147 19.000 0.013 0.000 1.285 228 A HN 0.887 nan 8.150 nan 0.000 0.427 229 R N -0.403 120.106 120.500 0.014 0.000 2.888 229 R HA 0.771 5.111 4.340 -0.000 0.000 0.264 229 R C 0.572 176.882 176.300 0.016 0.000 1.045 229 R CA -0.162 55.947 56.100 0.015 0.000 0.962 229 R CB 1.665 31.974 30.300 0.014 0.000 1.210 229 R HN 2.436 nan 8.270 nan 0.000 0.479 230 G N 1.189 109.999 108.800 0.018 0.000 2.569 230 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.259 230 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.259 230 G C -0.403 174.511 174.900 0.024 0.000 1.263 230 G CA 0.234 45.346 45.100 0.020 0.000 0.928 230 G HN 0.732 nan 8.290 nan 0.000 0.572 231 E N 1.109 121.324 120.200 0.025 0.000 2.452 231 E HA 0.396 4.746 4.350 -0.000 0.000 0.261 231 E C 1.500 178.118 176.600 0.029 0.000 0.987 231 E CA 1.604 58.023 56.400 0.031 0.000 0.926 231 E CB -0.296 29.421 29.700 0.029 0.000 0.934 231 E HN 2.357 nan 8.360 nan 0.000 0.452 232 G N 4.134 112.956 108.800 0.037 0.000 2.233 232 G HA2 -0.418 3.542 3.960 -0.000 0.000 0.270 232 G HA3 -0.418 3.542 3.960 -0.000 0.000 0.270 232 G C 0.927 175.832 174.900 0.009 0.000 1.011 232 G CA 1.066 46.179 45.100 0.023 0.000 0.762 232 G HN 0.781 nan 8.290 nan 0.000 0.511 233 R N -0.129 120.379 120.500 0.012 0.000 2.094 233 R HA -0.116 4.224 4.340 -0.000 0.000 0.239 233 R C 2.416 178.714 176.300 -0.002 0.000 1.137 233 R CA 2.047 58.152 56.100 0.008 0.000 0.943 233 R CB -1.036 29.271 30.300 0.013 0.000 0.850 233 R HN 0.290 nan 8.270 nan 0.000 0.433 234 S N 1.457 117.148 115.700 -0.015 0.000 2.370 234 S HA -0.074 4.396 4.470 -0.000 0.000 0.226 234 S C 2.054 176.632 174.600 -0.037 0.000 1.033 234 S CA 1.574 59.755 58.200 -0.032 0.000 1.011 234 S CB -0.317 62.843 63.200 -0.066 0.000 0.852 234 S HN 0.251 nan 8.310 nan 0.000 0.457 235 L N 0.932 122.128 121.223 -0.045 0.000 2.093 235 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 235 L C 2.702 179.565 176.870 -0.011 0.000 1.085 235 L CA 1.030 55.849 54.840 -0.036 0.000 0.755 235 L CB -0.556 41.480 42.059 -0.038 0.000 0.904 235 L HN 0.178 nan 8.230 nan 0.000 0.435 236 K N 0.099 120.497 120.400 -0.005 0.000 2.025 236 K HA -0.074 4.246 4.320 -0.000 0.000 0.207 236 K C 2.238 178.843 176.600 0.009 0.000 1.049 236 K CA 1.187 57.477 56.287 0.004 0.000 0.933 236 K CB -0.578 31.926 32.500 0.007 0.000 0.714 236 K HN 0.466 nan 8.250 nan 0.000 0.438 237 A N 0.486 123.312 122.820 0.009 0.000 1.902 237 A HA 0.024 4.344 4.320 -0.000 0.000 0.217 237 A C 2.459 180.055 177.584 0.021 0.000 1.181 237 A CA 2.089 54.135 52.037 0.016 0.000 0.623 237 A CB -1.033 17.976 19.000 0.016 0.000 0.818 237 A HN 0.576 nan 8.150 nan 0.000 0.443 238 A N -0.487 122.344 122.820 0.018 0.000 1.902 238 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 238 A C 2.065 179.668 177.584 0.031 0.000 1.181 238 A CA 1.808 53.863 52.037 0.031 0.000 0.623 238 A CB -0.561 18.455 19.000 0.026 0.000 0.818 238 A HN 0.648 nan 8.150 nan 0.000 0.443 239 E N -0.290 119.923 120.200 0.021 0.000 2.077 239 E HA -0.173 4.176 4.350 -0.000 0.000 0.193 239 E C 1.920 178.533 176.600 0.022 0.000 0.989 239 E CA 1.327 57.739 56.400 0.020 0.000 0.800 239 E CB -0.204 29.504 29.700 0.013 0.000 0.746 239 E HN 0.687 nan 8.360 nan 0.000 0.452 240 I N 0.912 121.495 120.570 0.021 0.000 2.226 240 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 240 I C 2.622 178.755 176.117 0.026 0.000 1.100 240 I CA 0.999 62.312 61.300 0.022 0.000 1.374 240 I CB -0.361 37.651 38.000 0.020 0.000 1.057 240 I HN 0.132 nan 8.210 nan 0.000 0.413 241 A N 1.704 124.542 122.820 0.030 0.000 1.865 241 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 241 A C 2.328 179.935 177.584 0.038 0.000 1.191 241 A CA 2.179 54.237 52.037 0.035 0.000 0.623 241 A CB -1.071 17.952 19.000 0.040 0.000 0.826 241 A HN 0.618 nan 8.150 nan 0.000 0.444 242 I N -3.726 116.867 120.570 0.040 0.000 2.614 242 I HA -0.079 4.091 4.170 -0.000 0.000 0.258 242 I C 1.074 177.213 176.117 0.037 0.000 1.189 242 I CA 1.748 63.074 61.300 0.043 0.000 1.462 242 I CB -0.300 37.728 38.000 0.048 0.000 1.092 242 I HN 0.108 nan 8.210 nan 0.000 0.442 243 N N 1.179 119.897 118.700 0.030 0.000 2.236 243 N HA 0.087 4.827 4.740 -0.000 0.000 0.196 243 N C 0.503 176.026 175.510 0.021 0.000 1.114 243 N CA 0.124 53.188 53.050 0.024 0.000 0.859 243 N CB 0.399 38.898 38.487 0.020 0.000 0.982 243 N HN 0.291 nan 8.380 nan 0.000 0.493 244 S N 2.027 117.742 115.700 0.024 0.000 2.573 244 S HA 0.010 4.479 4.470 -0.000 0.000 0.297 244 S C -1.309 173.301 174.600 0.017 0.000 1.280 244 S CA -0.868 57.345 58.200 0.022 0.000 1.061 244 S CB 0.944 64.159 63.200 0.026 0.000 0.812 244 S HN 0.051 nan 8.310 nan 0.000 0.500 245 P HA -0.063 nan 4.420 nan 0.000 0.219 245 P C 1.145 178.446 177.300 0.001 0.000 1.146 245 P CA 1.016 64.121 63.100 0.007 0.000 0.808 245 P CB 0.032 31.739 31.700 0.012 0.000 0.779 246 L N -1.621 119.605 121.223 0.006 0.000 2.141 246 L HA -0.103 4.237 4.340 -0.000 0.000 0.209 246 L C 2.292 179.162 176.870 0.000 0.000 1.094 246 L CA 0.976 55.816 54.840 0.000 0.000 0.763 246 L CB -0.889 41.175 42.059 0.008 0.000 0.908 246 L HN -0.034 nan 8.230 nan 0.000 0.437 247 L N -0.046 121.185 121.223 0.013 0.000 2.456 247 L HA -0.108 4.232 4.340 -0.000 0.000 0.224 247 L C 0.605 177.466 176.870 -0.015 0.000 1.148 247 L CA 0.468 55.321 54.840 0.021 0.000 0.825 247 L CB -0.395 41.691 42.059 0.045 0.000 0.937 247 L HN 0.363 nan 8.230 nan 0.000 0.450 248 E N -0.907 119.276 120.200 -0.028 0.000 2.360 248 E HA -0.325 4.025 4.350 -0.000 0.000 0.238 248 E C 0.865 177.436 176.600 -0.048 0.000 1.186 248 E CA 0.219 56.589 56.400 -0.051 0.000 0.719 248 E CB -1.382 28.264 29.700 -0.088 0.000 1.236 248 E HN 0.573 nan 8.360 nan 0.000 0.386 249 A N -0.897 121.914 122.820 -0.016 0.000 2.799 249 A HA -0.344 3.975 4.320 -0.000 0.000 0.274 249 A C 1.328 178.917 177.584 0.007 0.000 1.393 249 A CA 1.617 53.654 52.037 -0.001 0.000 0.909 249 A CB -1.829 17.167 19.000 -0.007 0.000 1.012 249 A HN 0.431 nan 8.150 nan 0.000 0.653 250 S N -1.404 114.299 115.700 0.004 0.000 2.614 250 S HA 0.203 4.673 4.470 -0.000 0.000 0.230 250 S C 1.289 176.016 174.600 0.212 0.000 0.952 250 S CA 0.703 58.920 58.200 0.029 0.000 0.949 250 S CB 0.129 63.192 63.200 -0.228 0.000 0.786 250 S HN 0.745 nan 8.310 nan 0.000 0.478 251 M N 2.897 122.587 119.600 0.150 0.000 2.086 251 M HA -0.084 4.396 4.480 -0.000 0.000 0.261 251 M C 1.456 177.846 176.300 0.150 0.000 1.067 251 M CA 1.877 57.272 55.300 0.157 0.000 1.116 251 M CB -0.596 32.060 32.600 0.094 0.000 1.348 251 M HN 0.203 nan 8.290 nan 0.000 0.407 252 E N -0.916 119.353 120.200 0.114 0.000 2.338 252 E HA 0.009 4.359 4.350 -0.000 0.000 0.197 252 E C 1.811 178.495 176.600 0.140 0.000 1.007 252 E CA 0.858 57.310 56.400 0.087 0.000 0.849 252 E CB -0.581 29.136 29.700 0.029 0.000 0.774 252 E HN 0.722 nan 8.360 nan 0.000 0.506 253 G N 1.202 110.133 108.800 0.217 0.000 2.623 253 G HA2 0.132 4.092 3.960 -0.000 0.000 0.214 253 G HA3 0.132 4.092 3.960 -0.000 0.000 0.214 253 G C 0.606 175.682 174.900 0.293 0.000 1.138 253 G CA 0.159 45.452 45.100 0.323 0.000 0.794 253 G HN 0.324 nan 8.290 nan 0.000 0.535 254 A N -0.684 122.229 122.820 0.155 0.000 2.440 254 A HA 0.583 4.903 4.320 -0.000 0.000 0.251 254 A C 1.291 178.753 177.584 -0.202 0.000 1.089 254 A CA 0.784 52.689 52.037 -0.219 0.000 0.779 254 A CB 0.556 19.402 19.000 -0.256 0.000 1.022 254 A HN 0.501 nan 8.150 nan 0.000 0.492 255 Q N 1.816 121.422 119.800 -0.323 0.000 2.339 255 Q HA 0.387 4.727 4.340 -0.000 0.000 0.205 255 Q C 0.919 176.781 176.000 -0.229 0.000 0.925 255 Q CA 1.070 56.705 55.803 -0.280 0.000 0.898 255 Q CB -0.012 28.562 28.738 -0.272 0.000 1.013 255 Q HN 1.692 nan 8.270 nan 0.000 0.504 256 G N -0.360 108.287 108.800 -0.256 0.000 2.609 256 G HA2 0.544 4.504 3.960 -0.000 0.000 0.308 256 G HA3 0.544 4.504 3.960 -0.000 0.000 0.308 256 G C -1.379 173.398 174.900 -0.206 0.000 1.369 256 G CA -0.311 44.663 45.100 -0.209 0.000 0.958 256 G HN 0.406 nan 8.290 nan 0.000 0.499 257 V N 3.144 122.948 119.914 -0.185 0.000 2.623 257 V HA 0.469 4.588 4.120 -0.000 0.000 0.304 257 V C -0.801 175.167 176.094 -0.211 0.000 1.054 257 V CA -0.820 61.374 62.300 -0.177 0.000 0.882 257 V CB 1.687 33.408 31.823 -0.168 0.000 1.002 257 V HN 0.735 nan 8.190 nan 0.000 0.424 258 L N 5.597 126.722 121.223 -0.163 0.000 2.307 258 L HA 0.749 5.089 4.340 -0.000 0.000 0.284 258 L C -0.530 176.257 176.870 -0.139 0.000 1.023 258 L CA -0.020 54.724 54.840 -0.160 0.000 0.810 258 L CB 1.323 43.327 42.059 -0.092 0.000 1.231 258 L HN 0.781 nan 8.230 nan 0.000 0.423 259 M N 4.399 123.894 119.600 -0.176 0.000 2.327 259 M HA 0.439 4.919 4.480 -0.000 0.000 0.298 259 M C -1.394 174.915 176.300 0.015 0.000 1.065 259 M CA -0.237 55.015 55.300 -0.081 0.000 0.916 259 M CB 1.976 34.511 32.600 -0.107 0.000 1.630 259 M HN 0.714 nan 8.290 nan 0.000 0.442 260 S N 5.602 121.329 115.700 0.046 0.000 2.519 260 S HA 0.703 5.173 4.470 -0.000 0.000 0.309 260 S C -1.273 173.369 174.600 0.070 0.000 1.100 260 S CA -0.755 57.481 58.200 0.060 0.000 1.059 260 S CB 1.215 64.441 63.200 0.044 0.000 1.008 260 S HN 0.789 nan 8.310 nan 0.000 0.478 261 I N 4.539 125.153 120.570 0.074 0.000 2.436 261 I HA 0.798 4.968 4.170 -0.000 0.000 0.289 261 I C -0.549 175.594 176.117 0.043 0.000 1.010 261 I CA -0.513 60.821 61.300 0.057 0.000 1.098 261 I CB 1.421 39.455 38.000 0.056 0.000 1.266 261 I HN 0.798 nan 8.210 nan 0.000 0.434 262 A N 5.007 127.848 122.820 0.035 0.000 2.374 262 A HA 0.996 5.316 4.320 -0.000 0.000 0.317 262 A C -0.382 177.217 177.584 0.025 0.000 1.094 262 A CA -0.150 51.905 52.037 0.030 0.000 0.765 262 A CB 1.592 20.608 19.000 0.028 0.000 1.268 262 A HN 0.968 nan 8.150 nan 0.000 0.438 263 G N -0.588 108.227 108.800 0.024 0.000 2.548 263 G HA2 0.626 4.586 3.960 -0.000 0.000 0.301 263 G HA3 0.626 4.586 3.960 -0.000 0.000 0.301 263 G C 0.063 174.976 174.900 0.021 0.000 1.349 263 G CA 0.130 45.243 45.100 0.022 0.000 0.792 263 G HN 1.327 nan 8.290 nan 0.000 0.481 264 G N -0.639 108.173 108.800 0.020 0.000 2.529 264 G HA2 0.373 4.333 3.960 -0.000 0.000 0.277 264 G HA3 0.373 4.333 3.960 -0.000 0.000 0.277 264 G C 1.298 176.210 174.900 0.020 0.000 1.383 264 G CA 0.813 45.925 45.100 0.019 0.000 1.050 264 G HN 0.824 nan 8.290 nan 0.000 0.526 265 S N 0.239 115.950 115.700 0.019 0.000 2.423 265 S HA -0.109 4.361 4.470 -0.000 0.000 0.231 265 S C 1.956 176.569 174.600 0.021 0.000 1.014 265 S CA 1.338 59.549 58.200 0.019 0.000 0.965 265 S CB -0.208 63.002 63.200 0.017 0.000 0.785 265 S HN 0.795 nan 8.310 nan 0.000 0.495 266 D N 1.224 121.636 120.400 0.021 0.000 2.390 266 D HA -0.089 4.550 4.640 -0.000 0.000 0.235 266 D C 0.448 176.765 176.300 0.029 0.000 1.040 266 D CA 0.039 54.053 54.000 0.023 0.000 0.923 266 D CB -0.389 40.424 40.800 0.022 0.000 0.886 266 D HN 0.261 nan 8.370 nan 0.000 0.532 267 L N 1.737 122.977 121.223 0.028 0.000 2.407 267 L HA 0.413 4.753 4.340 -0.000 0.000 0.282 267 L C 0.609 177.500 176.870 0.035 0.000 1.110 267 L CA -0.177 54.682 54.840 0.031 0.000 0.863 267 L CB 0.694 42.768 42.059 0.025 0.000 1.207 267 L HN 0.008 nan 8.230 nan 0.000 0.454 268 G N 3.591 112.421 108.800 0.050 0.000 2.537 268 G HA2 0.289 4.249 3.960 -0.000 0.000 0.273 268 G HA3 0.289 4.249 3.960 -0.000 0.000 0.273 268 G C 0.535 175.472 174.900 0.063 0.000 1.189 268 G CA -0.659 44.480 45.100 0.066 0.000 0.881 268 G HN 0.638 nan 8.290 nan 0.000 0.535 269 L N 0.727 121.992 121.223 0.071 0.000 2.156 269 L HA 0.100 4.440 4.340 -0.000 0.000 0.208 269 L C 2.285 179.193 176.870 0.063 0.000 1.095 269 L CA 1.008 55.878 54.840 0.049 0.000 0.770 269 L CB -0.907 41.183 42.059 0.051 0.000 0.914 269 L HN 0.653 nan 8.230 nan 0.000 0.439 270 F N 0.637 120.573 119.950 -0.024 0.000 2.095 270 F HA -0.225 4.302 4.527 0.000 0.000 0.298 270 F C 2.330 178.110 175.800 -0.033 0.000 1.104 270 F CA 1.897 59.880 58.000 -0.028 0.000 1.232 270 F CB -0.174 38.814 39.000 -0.020 0.000 0.987 270 F HN 0.190 nan 8.300 nan 0.000 0.475 271 E N 0.501 120.608 120.200 -0.154 0.000 2.051 271 E HA -0.216 4.134 4.350 -0.000 0.000 0.192 271 E C 2.389 178.861 176.600 -0.213 0.000 0.991 271 E CA 1.759 58.023 56.400 -0.227 0.000 0.799 271 E CB -0.354 29.320 29.700 -0.044 0.000 0.748 271 E HN 0.475 nan 8.360 nan 0.000 0.449 272 I N 1.607 122.103 120.570 -0.123 0.000 2.113 272 I HA -0.348 3.822 4.170 -0.000 0.000 0.242 272 I C 2.393 178.389 176.117 -0.203 0.000 1.064 272 I CA 1.231 62.464 61.300 -0.112 0.000 1.320 272 I CB -0.404 37.560 38.000 -0.060 0.000 1.028 272 I HN 0.117 nan 8.210 nan 0.000 0.406 273 N N 0.691 119.252 118.700 -0.231 0.000 2.149 273 N HA -0.203 4.537 4.740 -0.000 0.000 0.188 273 N C 1.744 177.054 175.510 -0.334 0.000 1.019 273 N CA 1.456 54.336 53.050 -0.284 0.000 0.857 273 N CB -0.049 38.315 38.487 -0.206 0.000 0.997 273 N HN 0.348 nan 8.380 nan 0.000 0.426 274 E N -0.432 119.527 120.200 -0.401 0.000 2.051 274 E HA -0.125 4.225 4.350 -0.000 0.000 0.192 274 E C 1.881 178.340 176.600 -0.234 0.000 0.991 274 E CA 1.056 57.236 56.400 -0.367 0.000 0.799 274 E CB -0.174 29.241 29.700 -0.475 0.000 0.748 274 E HN 0.459 nan 8.360 nan 0.000 0.449 275 A N 1.477 124.175 122.820 -0.202 0.000 1.908 275 A HA -0.168 4.151 4.320 -0.000 0.000 0.218 275 A C 2.390 179.899 177.584 -0.125 0.000 1.181 275 A CA 1.828 53.796 52.037 -0.114 0.000 0.627 275 A CB -0.693 18.267 19.000 -0.067 0.000 0.818 275 A HN 0.312 nan 8.150 nan 0.000 0.445 276 A N -0.784 121.850 122.820 -0.310 0.000 1.908 276 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 276 A C 2.515 179.855 177.584 -0.407 0.000 1.181 276 A CA 2.346 53.947 52.037 -0.728 0.000 0.627 276 A CB -0.944 17.271 19.000 -1.308 0.000 0.818 276 A HN 0.631 nan 8.150 nan 0.000 0.445 277 S N -0.832 114.703 115.700 -0.275 0.000 2.371 277 S HA -0.065 4.405 4.470 -0.000 0.000 0.224 277 S C 1.966 176.534 174.600 -0.053 0.000 1.029 277 S CA 1.167 59.280 58.200 -0.145 0.000 0.978 277 S CB -0.470 62.649 63.200 -0.136 0.000 0.833 277 S HN 0.512 nan 8.310 nan 0.000 0.466 278 L N 1.227 122.419 121.223 -0.052 0.000 2.079 278 L HA -0.083 4.257 4.340 -0.000 0.000 0.210 278 L C 2.263 179.158 176.870 0.041 0.000 1.081 278 L CA 1.409 56.244 54.840 -0.007 0.000 0.752 278 L CB -0.278 41.772 42.059 -0.014 0.000 0.896 278 L HN 0.248 nan 8.230 nan 0.000 0.433 279 V N -0.598 119.370 119.914 0.089 0.000 2.323 279 V HA -0.276 3.844 4.120 -0.000 0.000 0.244 279 V C 2.436 178.631 176.094 0.169 0.000 1.041 279 V CA 1.672 64.069 62.300 0.161 0.000 1.025 279 V CB -0.531 31.476 31.823 0.308 0.000 0.656 279 V HN 0.502 nan 8.190 nan 0.000 0.451 280 Q N -0.140 119.792 119.800 0.220 0.000 2.029 280 Q HA -0.293 4.047 4.340 -0.000 0.000 0.209 280 Q C 2.106 178.163 176.000 0.095 0.000 0.999 280 Q CA 2.098 58.007 55.803 0.176 0.000 0.857 280 Q CB -0.489 28.335 28.738 0.143 0.000 0.926 280 Q HN 0.636 nan 8.270 nan 0.000 0.415 281 D N 0.006 120.443 120.400 0.061 0.000 2.190 281 D HA -0.147 4.493 4.640 -0.000 0.000 0.200 281 D C 1.524 177.846 176.300 0.036 0.000 0.992 281 D CA 1.365 55.387 54.000 0.038 0.000 0.854 281 D CB -0.069 40.743 40.800 0.020 0.000 0.936 281 D HN 0.296 nan 8.370 nan 0.000 0.462 282 A N 0.396 123.243 122.820 0.046 0.000 2.132 282 A HA 0.378 4.698 4.320 -0.000 0.000 0.213 282 A C 1.321 178.934 177.584 0.048 0.000 1.154 282 A CA 0.520 52.581 52.037 0.041 0.000 0.753 282 A CB -0.023 19.003 19.000 0.044 0.000 0.826 282 A HN 0.203 nan 8.150 nan 0.000 0.469 283 A N -0.525 122.332 122.820 0.063 0.000 2.332 283 A HA 0.426 4.746 4.320 -0.000 0.000 0.258 283 A C 0.126 177.763 177.584 0.089 0.000 1.087 283 A CA -0.365 51.717 52.037 0.076 0.000 0.802 283 A CB -0.336 18.708 19.000 0.073 0.000 1.042 283 A HN 0.609 nan 8.150 nan 0.000 0.489 284 H N 1.364 120.441 119.070 0.011 0.000 3.064 284 H HA 0.072 4.628 4.556 -0.000 0.000 0.329 284 H C -1.521 173.810 175.328 0.004 0.000 1.020 284 H CA -0.391 55.661 56.048 0.007 0.000 1.402 284 H CB 0.661 30.420 29.762 -0.004 0.000 1.379 284 H HN 0.363 nan 8.280 nan 0.000 0.594 285 P HA -0.187 nan 4.420 nan 0.000 0.217 285 P C 0.011 177.416 177.300 0.175 0.000 1.151 285 P CA 1.557 64.754 63.100 0.162 0.000 0.849 285 P CB 0.255 32.019 31.700 0.107 0.000 0.787 286 D N -1.417 119.128 120.400 0.242 0.000 2.427 286 D HA 0.228 4.867 4.640 -0.000 0.000 0.224 286 D C 0.363 176.632 176.300 -0.053 0.000 1.157 286 D CA -0.146 53.876 54.000 0.036 0.000 0.828 286 D CB -0.142 40.637 40.800 -0.035 0.000 0.974 286 D HN 0.077 nan 8.370 nan 0.000 0.498 287 A N 1.235 124.051 122.820 -0.005 0.000 2.454 287 A HA 0.072 4.392 4.320 -0.000 0.000 0.260 287 A C 0.499 178.046 177.584 -0.060 0.000 1.106 287 A CA -0.347 51.658 52.037 -0.053 0.000 0.780 287 A CB 0.054 19.056 19.000 0.003 0.000 1.044 287 A HN 0.180 nan 8.150 nan 0.000 0.498 288 N N 3.307 121.949 118.700 -0.098 0.000 2.415 288 N HA 0.281 5.021 4.740 -0.000 0.000 0.250 288 N C -0.931 174.499 175.510 -0.133 0.000 1.127 288 N CA -0.112 52.880 53.050 -0.096 0.000 0.945 288 N CB 0.139 38.565 38.487 -0.102 0.000 1.196 288 N HN 0.566 nan 8.380 nan 0.000 0.499 289 I N 4.926 125.409 120.570 -0.146 0.000 2.378 289 I HA 0.360 4.530 4.170 -0.000 0.000 0.291 289 I C -0.065 175.844 176.117 -0.348 0.000 0.992 289 I CA -0.734 60.387 61.300 -0.299 0.000 1.154 289 I CB 1.725 39.513 38.000 -0.353 0.000 1.315 289 I HN 0.320 nan 8.210 nan 0.000 0.448 290 I N 6.146 126.476 120.570 -0.401 0.000 2.378 290 I HA 0.345 4.515 4.170 -0.000 0.000 0.291 290 I C -0.905 174.956 176.117 -0.427 0.000 0.992 290 I CA -0.463 60.671 61.300 -0.276 0.000 1.154 290 I CB 1.365 39.275 38.000 -0.149 0.000 1.315 290 I HN 0.347 nan 8.210 nan 0.000 0.448 291 F N 4.205 124.148 119.950 -0.011 0.000 2.404 291 F HA 0.654 5.181 4.527 -0.001 0.000 0.354 291 F C 0.836 176.634 175.800 -0.003 0.000 1.122 291 F CA -0.455 57.541 58.000 -0.007 0.000 1.080 291 F CB 1.736 40.730 39.000 -0.010 0.000 1.131 291 F HN 0.388 nan 8.300 nan 0.000 0.471 292 G N 0.778 109.672 108.800 0.156 0.000 2.658 292 G HA2 0.693 4.652 3.960 -0.000 0.000 0.292 292 G HA3 0.693 4.652 3.960 -0.000 0.000 0.292 292 G C -1.161 173.795 174.900 0.094 0.000 1.320 292 G CA -0.845 44.316 45.100 0.102 0.000 0.933 292 G HN 0.602 nan 8.290 nan 0.000 0.476 293 T N -2.801 111.794 114.554 0.069 0.000 2.916 293 T HA 0.744 5.094 4.350 -0.000 0.000 0.292 293 T C -1.055 173.672 174.700 0.045 0.000 1.064 293 T CA -0.784 61.350 62.100 0.055 0.000 1.011 293 T CB 1.932 70.827 68.868 0.045 0.000 1.152 293 T HN 0.656 nan 8.240 nan 0.000 0.510 294 V N 1.826 121.764 119.914 0.039 0.000 2.638 294 V HA 0.449 4.569 4.120 -0.000 0.000 0.306 294 V C -0.207 175.904 176.094 0.029 0.000 1.052 294 V CA -1.007 61.314 62.300 0.034 0.000 0.885 294 V CB 1.731 33.574 31.823 0.033 0.000 0.999 294 V HN 0.895 nan 8.190 nan 0.000 0.424 295 I N 4.011 124.597 120.570 0.027 0.000 2.396 295 I HA 0.326 4.496 4.170 -0.000 0.000 0.289 295 I C -0.452 175.678 176.117 0.022 0.000 1.056 295 I CA 0.405 61.719 61.300 0.023 0.000 1.365 295 I CB 0.785 38.798 38.000 0.022 0.000 1.407 295 I HN 0.608 nan 8.210 nan 0.000 0.509 296 D N 5.877 126.290 120.400 0.021 0.000 2.336 296 D HA 0.133 4.773 4.640 -0.000 0.000 0.248 296 D C 0.135 176.445 176.300 0.018 0.000 1.326 296 D CA -0.358 53.654 54.000 0.020 0.000 0.973 296 D CB 0.939 41.751 40.800 0.020 0.000 1.255 296 D HN 0.371 nan 8.370 nan 0.000 0.558 297 D N 0.893 121.303 120.400 0.017 0.000 2.363 297 D HA -0.089 4.551 4.640 -0.000 0.000 0.226 297 D C 1.569 177.878 176.300 0.014 0.000 1.020 297 D CA 0.448 54.458 54.000 0.015 0.000 0.892 297 D CB 0.416 41.224 40.800 0.014 0.000 0.900 297 D HN 0.416 nan 8.370 nan 0.000 0.531 298 S N -0.681 115.028 115.700 0.014 0.000 2.558 298 S HA 0.068 4.538 4.470 -0.000 0.000 0.217 298 S C 1.864 176.472 174.600 0.013 0.000 0.975 298 S CA -0.124 58.084 58.200 0.013 0.000 0.912 298 S CB -0.096 63.112 63.200 0.013 0.000 0.776 298 S HN 0.201 nan 8.310 nan 0.000 0.526 299 L N 0.846 122.078 121.223 0.015 0.000 2.418 299 L HA 0.249 4.588 4.340 -0.000 0.000 0.218 299 L C 2.006 178.885 176.870 0.014 0.000 1.125 299 L CA 0.499 55.348 54.840 0.015 0.000 0.835 299 L CB -1.011 41.058 42.059 0.017 0.000 0.953 299 L HN 0.661 nan 8.230 nan 0.000 0.454 300 G N 1.600 110.408 108.800 0.014 0.000 2.543 300 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.286 300 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.286 300 G C 0.342 175.251 174.900 0.015 0.000 1.153 300 G CA 0.323 45.431 45.100 0.014 0.000 0.968 300 G HN 0.465 nan 8.290 nan 0.000 0.544 301 D N 1.537 121.946 120.400 0.015 0.000 2.388 301 D HA 0.230 4.869 4.640 -0.000 0.000 0.221 301 D C 0.553 176.863 176.300 0.017 0.000 1.133 301 D CA 0.608 54.618 54.000 0.016 0.000 0.831 301 D CB 0.299 41.109 40.800 0.016 0.000 0.962 301 D HN 0.661 nan 8.370 nan 0.000 0.502 302 E N 0.665 120.874 120.200 0.016 0.000 2.204 302 E HA 0.407 4.757 4.350 -0.000 0.000 0.276 302 E C -0.767 175.844 176.600 0.017 0.000 0.974 302 E CA -0.912 55.498 56.400 0.016 0.000 0.815 302 E CB 2.281 31.990 29.700 0.016 0.000 1.119 302 E HN 0.062 nan 8.360 nan 0.000 0.393 303 V N 1.411 121.335 119.914 0.017 0.000 2.680 303 V HA 0.696 4.816 4.120 -0.000 0.000 0.309 303 V C -0.798 175.307 176.094 0.019 0.000 1.052 303 V CA -1.061 61.249 62.300 0.018 0.000 0.908 303 V CB 1.505 33.337 31.823 0.015 0.000 1.001 303 V HN 0.728 nan 8.190 nan 0.000 0.431 304 R N 2.669 123.183 120.500 0.022 0.000 2.494 304 R HA 0.868 5.208 4.340 -0.000 0.000 0.305 304 R C -1.609 174.709 176.300 0.030 0.000 0.959 304 R CA -0.765 55.350 56.100 0.025 0.000 0.864 304 R CB 1.996 32.310 30.300 0.024 0.000 1.159 304 R HN 0.507 nan 8.270 nan 0.000 0.446 305 V N 2.961 122.894 119.914 0.033 0.000 2.398 305 V HA 0.350 4.470 4.120 -0.000 0.000 0.286 305 V C -0.249 175.869 176.094 0.041 0.000 1.026 305 V CA -0.415 61.910 62.300 0.042 0.000 0.868 305 V CB 1.796 33.646 31.823 0.046 0.000 0.982 305 V HN 0.890 nan 8.190 nan 0.000 0.443 306 T N 4.618 119.197 114.554 0.042 0.000 2.797 306 T HA 0.607 4.957 4.350 -0.000 0.000 0.279 306 T C -0.420 174.299 174.700 0.033 0.000 0.991 306 T CA -0.410 61.712 62.100 0.038 0.000 0.979 306 T CB 1.700 70.590 68.868 0.036 0.000 0.943 306 T HN 0.321 nan 8.240 nan 0.000 0.444 307 V N 4.835 124.768 119.914 0.031 0.000 2.448 307 V HA 0.490 4.609 4.120 -0.000 0.000 0.295 307 V C -0.558 175.548 176.094 0.020 0.000 1.025 307 V CA -0.927 61.383 62.300 0.017 0.000 0.859 307 V CB 1.573 33.412 31.823 0.026 0.000 0.988 307 V HN 0.731 nan 8.190 nan 0.000 0.431 308 I N 4.197 124.766 120.570 -0.001 0.000 2.355 308 I HA 0.690 4.860 4.170 -0.000 0.000 0.288 308 I C 0.277 176.384 176.117 -0.017 0.000 0.999 308 I CA -0.512 60.794 61.300 0.010 0.000 1.163 308 I CB 1.406 39.411 38.000 0.007 0.000 1.316 308 I HN 0.673 nan 8.210 nan 0.000 0.454 309 A N 5.285 128.121 122.820 0.026 0.000 2.318 309 A HA 0.946 5.266 4.320 -0.000 0.000 0.317 309 A C -0.287 177.217 177.584 -0.134 0.000 1.159 309 A CA -0.332 51.691 52.037 -0.022 0.000 0.799 309 A CB 1.426 20.511 19.000 0.142 0.000 1.194 309 A HN 0.885 nan 8.150 nan 0.000 0.479 310 A N 1.014 123.568 122.820 -0.444 0.000 2.552 310 A HA 0.882 5.202 4.320 -0.000 0.000 0.288 310 A C 0.543 177.631 177.584 -0.827 0.000 1.193 310 A CA -0.210 51.506 52.037 -0.534 0.000 0.713 310 A CB 0.503 19.365 19.000 -0.231 0.000 1.305 310 A HN 2.715 nan 8.150 nan 0.000 0.424 311 G N -0.533 107.935 108.800 -0.552 0.000 2.415 311 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.283 311 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.283 311 G C -0.363 174.266 174.900 -0.450 0.000 1.014 311 G CA 0.579 45.454 45.100 -0.375 0.000 1.323 311 G HN 0.934 nan 8.290 nan 0.000 0.502 312 F N 0.000 119.935 119.950 -0.024 0.000 2.286 312 F HA 0.000 4.528 4.527 0.002 0.000 0.279 312 F CA 0.000 57.995 58.000 -0.009 0.000 1.383 312 F CB 0.000 39.000 39.000 0.000 0.000 1.145 312 F HN 0.000 nan 8.300 nan 0.000 0.574