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 1qo0_1_A DATA FIRST_RESID 7 DATA SEQUENCE RPLIGLLFSE TGVTADIERS QRYGALLAVE QLNREGGVGG RPIETLSQDP DATA SEQUENCE GGDPDRYRLC AEDFIRNRGV RFLVGCYMSH TRKAVMPVVE RADALLCYPT DATA SEQUENCE PYEGFEYSPN IVYGGPAPNQ NSAPLAAYLI RHYGERVVFI GSDYIYPRES DATA SEQUENCE NHVMRHLYRQ HGGTVLEEIY IPLYPSDDDL QRAVERIYQA RADVVFSTVV DATA SEQUENCE GTGTAELYRA IARRYGDGRR PPIASLTTSE AEVAKMESDV AEGQVVVAPY DATA SEQUENCE FSSIDTPASR AFVQACHGFF PENATITAWA EAAYWQTLLL GRAAQAAGNW DATA SEQUENCE RVEDVQRHLY DIDIDAPQGP VRVERQNNHS RLSSRIAEID ARGVFQVRWQ DATA SEQUENCE SPEPIRPDPY VVVHNLDDWS ASM 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 7 R HA 0.000 nan 4.340 nan 0.000 0.208 7 R C 0.000 176.074 176.300 -0.377 0.000 0.893 7 R CA 0.000 56.002 56.100 -0.163 0.000 0.921 7 R CB 0.000 30.253 30.300 -0.079 0.000 0.687 8 P HA 0.344 nan 4.420 nan 0.000 0.250 8 P C -1.144 175.653 177.300 -0.838 0.000 1.161 8 P CA 0.260 62.356 63.100 -1.674 0.000 0.863 8 P CB 0.094 30.598 31.700 -1.995 0.000 0.827 9 L N 5.269 126.285 121.223 -0.344 0.000 2.343 9 L HA 0.482 4.822 4.340 -0.001 0.000 0.278 9 L C -0.760 176.232 176.870 0.202 0.000 0.996 9 L CA -0.794 54.029 54.840 -0.028 0.000 0.831 9 L CB 1.083 43.164 42.059 0.038 0.000 1.232 9 L HN 0.243 nan 8.230 nan 0.000 0.413 10 I N 4.309 124.951 120.570 0.119 0.000 2.359 10 I HA 0.483 4.652 4.170 -0.001 0.000 0.294 10 I C 0.764 176.837 176.117 -0.073 0.000 0.987 10 I CA -0.530 60.849 61.300 0.130 0.000 1.225 10 I CB 1.738 39.814 38.000 0.127 0.000 1.366 10 I HN 0.760 nan 8.210 nan 0.000 0.466 11 G N 7.208 115.826 108.800 -0.303 0.000 2.325 11 G HA2 0.573 4.533 3.960 -0.001 0.000 0.298 11 G HA3 0.573 4.533 3.960 -0.001 0.000 0.298 11 G C -0.552 174.009 174.900 -0.565 0.000 1.134 11 G CA -0.520 44.081 45.100 -0.831 0.000 0.876 11 G HN 0.465 nan 8.290 nan 0.000 0.452 12 L N 3.122 124.188 121.223 -0.261 0.000 2.262 12 L HA 0.351 4.690 4.340 -0.001 0.000 0.288 12 L C 0.123 176.970 176.870 -0.038 0.000 1.035 12 L CA -0.518 54.264 54.840 -0.096 0.000 0.820 12 L CB 1.592 43.700 42.059 0.081 0.000 1.204 12 L HN 0.290 nan 8.230 nan 0.000 0.424 13 L N 4.919 125.966 121.223 -0.293 0.000 2.603 13 L HA 0.443 4.783 4.340 -0.001 0.000 0.242 13 L C -1.363 175.280 176.870 -0.378 0.000 1.169 13 L CA -0.148 54.586 54.840 -0.177 0.000 1.029 13 L CB 0.128 42.147 42.059 -0.067 0.000 1.361 13 L HN 0.413 nan 8.230 nan 0.000 0.439 14 F N -0.378 119.584 119.950 0.020 0.000 2.529 14 F HA 0.352 4.878 4.527 -0.001 0.000 0.320 14 F C 0.750 176.521 175.800 -0.048 0.000 1.118 14 F CA -0.625 57.387 58.000 0.021 0.000 0.915 14 F CB 2.074 41.074 39.000 0.001 0.000 1.161 14 F HN 0.037 nan 8.300 nan 0.000 0.445 15 S N 2.118 117.917 115.700 0.166 0.000 2.560 15 S HA 0.041 4.511 4.470 -0.001 0.000 0.284 15 S C 1.005 175.639 174.600 0.056 0.000 1.327 15 S CA -0.305 57.923 58.200 0.047 0.000 1.055 15 S CB 0.937 64.183 63.200 0.077 0.000 0.868 15 S HN 0.609 nan 8.310 nan 0.000 0.506 16 E N 0.891 121.105 120.200 0.024 0.000 2.389 16 E HA 0.067 4.417 4.350 -0.001 0.000 0.199 16 E C 0.679 177.298 176.600 0.031 0.000 0.978 16 E CA 0.471 56.887 56.400 0.027 0.000 0.912 16 E CB 0.539 30.249 29.700 0.016 0.000 0.907 16 E HN 0.840 nan 8.360 nan 0.000 0.494 17 T N -3.046 111.529 114.554 0.035 0.000 2.887 17 T HA 0.729 5.078 4.350 -0.001 0.000 0.292 17 T C 0.523 175.277 174.700 0.090 0.000 1.087 17 T CA -0.303 61.832 62.100 0.058 0.000 1.009 17 T CB 2.338 71.234 68.868 0.047 0.000 1.203 17 T HN 0.179 nan 8.240 nan 0.000 0.518 18 G N -0.524 108.372 108.800 0.160 0.000 2.610 18 G HA2 -0.061 3.899 3.960 -0.001 0.000 0.304 18 G HA3 -0.061 3.899 3.960 -0.001 0.000 0.304 18 G C 0.582 175.574 174.900 0.153 0.000 1.309 18 G CA -0.030 45.218 45.100 0.248 0.000 0.906 18 G HN 1.584 nan 8.290 nan 0.000 0.521 19 V N 0.270 120.176 119.914 -0.014 0.000 2.515 19 V HA 0.100 4.219 4.120 -0.001 0.000 0.250 19 V C 2.418 178.390 176.094 -0.203 0.000 1.058 19 V CA 3.498 65.523 62.300 -0.459 0.000 1.064 19 V CB -0.420 31.056 31.823 -0.580 0.000 0.675 19 V HN 1.790 nan 8.190 nan 0.000 0.461 20 T N -2.929 111.585 114.554 -0.067 0.000 3.248 20 T HA 0.500 4.849 4.350 -0.001 0.000 0.271 20 T C 1.387 176.043 174.700 -0.073 0.000 1.005 20 T CA 0.412 62.472 62.100 -0.068 0.000 0.902 20 T CB 0.665 69.521 68.868 -0.019 0.000 1.102 20 T HN 0.401 nan 8.240 nan 0.000 0.548 21 A N 2.367 125.171 122.820 -0.026 0.000 1.908 21 A HA -0.123 4.196 4.320 -0.001 0.000 0.218 21 A C 2.136 179.701 177.584 -0.032 0.000 1.181 21 A CA 1.615 53.649 52.037 -0.005 0.000 0.627 21 A CB -0.544 18.472 19.000 0.027 0.000 0.818 21 A HN 0.509 nan 8.150 nan 0.000 0.445 22 D N -0.082 120.295 120.400 -0.038 0.000 2.117 22 D HA -0.118 4.521 4.640 -0.001 0.000 0.197 22 D C 1.899 178.162 176.300 -0.062 0.000 0.987 22 D CA 1.314 55.295 54.000 -0.032 0.000 0.829 22 D CB -0.278 40.512 40.800 -0.017 0.000 0.961 22 D HN 0.531 nan 8.370 nan 0.000 0.460 23 I N 1.054 121.545 120.570 -0.131 0.000 2.286 23 I HA -0.174 3.995 4.170 -0.001 0.000 0.245 23 I C 2.229 178.192 176.117 -0.256 0.000 1.104 23 I CA 0.883 62.067 61.300 -0.193 0.000 1.397 23 I CB -0.085 37.702 38.000 -0.355 0.000 1.072 23 I HN -0.074 nan 8.210 nan 0.000 0.417 24 E N 0.422 120.460 120.200 -0.270 0.000 2.150 24 E HA -0.249 4.100 4.350 -0.001 0.000 0.193 24 E C 2.182 178.657 176.600 -0.209 0.000 0.985 24 E CA 0.692 56.966 56.400 -0.210 0.000 0.814 24 E CB -0.123 29.605 29.700 0.047 0.000 0.752 24 E HN 0.359 nan 8.360 nan 0.000 0.466 25 R N 1.111 121.554 120.500 -0.095 0.000 2.081 25 R HA -0.141 4.199 4.340 -0.001 0.000 0.235 25 R C 2.465 178.743 176.300 -0.037 0.000 1.131 25 R CA 1.803 57.888 56.100 -0.026 0.000 0.960 25 R CB -0.176 30.149 30.300 0.042 0.000 0.856 25 R HN 0.153 nan 8.270 nan 0.000 0.436 26 S N -0.129 115.534 115.700 -0.062 0.000 2.406 26 S HA -0.141 4.329 4.470 -0.001 0.000 0.228 26 S C 1.858 176.398 174.600 -0.101 0.000 1.020 26 S CA 0.845 59.033 58.200 -0.021 0.000 0.965 26 S CB -0.102 63.165 63.200 0.113 0.000 0.798 26 S HN 0.493 nan 8.310 nan 0.000 0.488 27 Q N 0.987 120.605 119.800 -0.303 0.000 2.050 27 Q HA -0.117 4.223 4.340 -0.001 0.000 0.202 27 Q C 2.485 178.096 176.000 -0.650 0.000 0.980 27 Q CA 1.662 57.131 55.803 -0.557 0.000 0.840 27 Q CB -0.316 27.712 28.738 -1.184 0.000 0.898 27 Q HN 0.684 nan 8.270 nan 0.000 0.424 28 R N -0.029 120.038 120.500 -0.722 0.000 2.091 28 R HA -0.211 4.129 4.340 -0.001 0.000 0.238 28 R C 1.788 177.883 176.300 -0.342 0.000 1.136 28 R CA 1.590 57.465 56.100 -0.376 0.000 0.959 28 R CB -0.246 29.914 30.300 -0.232 0.000 0.856 28 R HN 0.268 nan 8.270 nan 0.000 0.437 29 Y N -0.185 119.934 120.300 -0.302 0.000 2.373 29 Y HA 0.042 4.592 4.550 -0.001 0.000 0.293 29 Y C 2.399 178.223 175.900 -0.126 0.000 1.129 29 Y CA 1.396 59.266 58.100 -0.383 0.000 1.226 29 Y CB -0.439 37.298 38.460 -1.204 0.000 1.000 29 Y HN 0.290 nan 8.280 nan 0.000 0.549 30 G N -0.619 108.261 108.800 0.133 0.000 2.402 30 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.216 30 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.216 30 G C 1.896 176.949 174.900 0.257 0.000 1.162 30 G CA 0.880 46.197 45.100 0.362 0.000 0.777 30 G HN 0.444 nan 8.290 nan 0.000 0.539 31 A N 0.474 123.355 122.820 0.102 0.000 1.897 31 A HA 0.191 4.511 4.320 -0.001 0.000 0.215 31 A C 2.414 180.032 177.584 0.057 0.000 1.181 31 A CA 0.984 53.069 52.037 0.079 0.000 0.620 31 A CB -0.379 18.681 19.000 0.099 0.000 0.821 31 A HN 0.331 nan 8.150 nan 0.000 0.443 32 L N -0.913 120.337 121.223 0.044 0.000 2.042 32 L HA -0.197 4.143 4.340 -0.001 0.000 0.210 32 L C 2.565 179.397 176.870 -0.065 0.000 1.076 32 L CA 1.286 56.173 54.840 0.078 0.000 0.749 32 L CB -0.498 41.674 42.059 0.188 0.000 0.893 32 L HN 0.494 nan 8.230 nan 0.000 0.432 33 L N 0.112 121.209 121.223 -0.209 0.000 2.046 33 L HA -0.159 4.181 4.340 -0.001 0.000 0.208 33 L C 2.613 179.424 176.870 -0.099 0.000 1.077 33 L CA 2.053 56.569 54.840 -0.541 0.000 0.747 33 L CB -0.717 41.214 42.059 -0.213 0.000 0.896 33 L HN 0.142 nan 8.230 nan 0.000 0.432 34 A N -1.139 121.757 122.820 0.127 0.000 1.902 34 A HA -0.142 4.178 4.320 -0.001 0.000 0.217 34 A C 2.260 179.817 177.584 -0.045 0.000 1.181 34 A CA 1.977 54.023 52.037 0.015 0.000 0.623 34 A CB -1.101 17.803 19.000 -0.160 0.000 0.818 34 A HN 0.322 nan 8.150 nan 0.000 0.443 35 V N -0.157 119.735 119.914 -0.037 0.000 2.343 35 V HA -0.256 3.863 4.120 -0.001 0.000 0.247 35 V C 2.523 178.598 176.094 -0.031 0.000 1.051 35 V CA 2.383 64.664 62.300 -0.033 0.000 1.036 35 V CB -0.700 31.116 31.823 -0.012 0.000 0.654 35 V HN 0.774 nan 8.190 nan 0.000 0.451 36 E N 0.106 120.277 120.200 -0.048 0.000 2.058 36 E HA -0.303 4.046 4.350 -0.001 0.000 0.194 36 E C 2.303 178.889 176.600 -0.022 0.000 0.997 36 E CA 1.898 58.282 56.400 -0.026 0.000 0.801 36 E CB -0.237 29.423 29.700 -0.068 0.000 0.746 36 E HN 0.655 nan 8.360 nan 0.000 0.450 37 Q N -0.091 119.693 119.800 -0.027 0.000 2.084 37 Q HA -0.157 4.182 4.340 -0.001 0.000 0.202 37 Q C 2.231 178.224 176.000 -0.012 0.000 0.978 37 Q CA 1.415 57.220 55.803 0.004 0.000 0.844 37 Q CB -0.083 28.686 28.738 0.053 0.000 0.898 37 Q HN 0.387 nan 8.270 nan 0.000 0.426 38 L N 0.803 122.007 121.223 -0.031 0.000 2.131 38 L HA -0.200 4.140 4.340 -0.001 0.000 0.210 38 L C 2.009 178.858 176.870 -0.036 0.000 1.092 38 L CA 0.760 55.577 54.840 -0.039 0.000 0.759 38 L CB -0.423 41.606 42.059 -0.051 0.000 0.903 38 L HN 0.277 nan 8.230 nan 0.000 0.435 39 N N 0.246 118.927 118.700 -0.031 0.000 2.250 39 N HA -0.092 4.648 4.740 -0.001 0.000 0.181 39 N C 1.873 177.373 175.510 -0.017 0.000 1.017 39 N CA 0.950 53.982 53.050 -0.030 0.000 0.866 39 N CB -0.133 38.339 38.487 -0.025 0.000 0.985 39 N HN 0.278 nan 8.380 nan 0.000 0.429 40 R N 0.918 121.415 120.500 -0.005 0.000 2.189 40 R HA 0.011 4.351 4.340 -0.001 0.000 0.223 40 R C 0.614 176.912 176.300 -0.003 0.000 1.092 40 R CA 0.751 56.852 56.100 0.002 0.000 0.989 40 R CB 0.008 30.316 30.300 0.012 0.000 0.876 40 R HN 0.374 nan 8.270 nan 0.000 0.457 41 E N -0.400 119.795 120.200 -0.009 0.000 2.370 41 E HA 0.132 4.482 4.350 -0.001 0.000 0.194 41 E C 0.395 176.984 176.600 -0.019 0.000 1.057 41 E CA 0.174 56.567 56.400 -0.011 0.000 1.011 41 E CB 0.939 30.631 29.700 -0.013 0.000 1.132 41 E HN 0.469 nan 8.360 nan 0.000 0.450 42 G N 0.652 109.439 108.800 -0.022 0.000 2.157 42 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.239 42 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.239 42 G C 0.772 175.647 174.900 -0.041 0.000 0.982 42 G CA -0.150 44.933 45.100 -0.028 0.000 0.650 42 G HN 0.733 nan 8.290 nan 0.000 0.527 43 G N -1.713 107.056 108.800 -0.052 0.000 2.578 43 G HA2 0.063 4.022 3.960 -0.001 0.000 0.284 43 G HA3 0.063 4.022 3.960 -0.001 0.000 0.284 43 G C 0.090 174.944 174.900 -0.077 0.000 1.283 43 G CA 0.836 45.888 45.100 -0.081 0.000 0.944 43 G HN 1.640 nan 8.290 nan 0.000 0.558 44 V N 0.452 120.304 119.914 -0.103 0.000 2.577 44 V HA 0.651 4.771 4.120 -0.001 0.000 0.303 44 V C 1.071 177.129 176.094 -0.059 0.000 1.042 44 V CA 0.678 62.938 62.300 -0.067 0.000 0.872 44 V CB 0.840 32.635 31.823 -0.047 0.000 0.998 44 V HN 2.779 nan 8.190 nan 0.000 0.423 45 G N 3.371 112.153 108.800 -0.029 0.000 2.366 45 G HA2 0.089 4.048 3.960 -0.001 0.000 0.299 45 G HA3 0.089 4.048 3.960 -0.001 0.000 0.299 45 G C 1.288 176.167 174.900 -0.034 0.000 1.020 45 G CA 1.084 46.171 45.100 -0.022 0.000 1.026 45 G HN 2.354 nan 8.290 nan 0.000 0.512 46 G N -1.288 107.489 108.800 -0.038 0.000 2.347 46 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.247 46 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.247 46 G C 0.622 175.490 174.900 -0.053 0.000 1.037 46 G CA 1.176 46.253 45.100 -0.038 0.000 0.622 46 G HN 1.321 nan 8.290 nan 0.000 0.521 47 R N 1.186 121.641 120.500 -0.076 0.000 2.643 47 R HA 0.592 4.931 4.340 -0.001 0.000 0.272 47 R C -2.771 173.456 176.300 -0.120 0.000 0.995 47 R CA -2.025 54.019 56.100 -0.093 0.000 1.032 47 R CB 0.902 31.137 30.300 -0.108 0.000 1.126 47 R HN 0.128 nan 8.270 nan 0.000 0.505 48 P HA 0.084 nan 4.420 nan 0.000 0.271 48 P C -0.398 176.797 177.300 -0.176 0.000 1.216 48 P CA -0.007 63.024 63.100 -0.114 0.000 0.771 48 P CB 0.460 32.114 31.700 -0.077 0.000 0.864 49 I N 2.719 123.174 120.570 -0.191 0.000 2.471 49 I HA 0.082 4.252 4.170 -0.001 0.000 0.286 49 I C 1.121 177.132 176.117 -0.176 0.000 1.079 49 I CA 0.188 61.325 61.300 -0.271 0.000 1.398 49 I CB 0.215 38.069 38.000 -0.244 0.000 1.403 49 I HN 0.283 nan 8.210 nan 0.000 0.530 50 E N 3.999 124.085 120.200 -0.189 0.000 2.232 50 E HA 0.511 4.861 4.350 -0.001 0.000 0.265 50 E C -0.479 176.086 176.600 -0.059 0.000 1.001 50 E CA -0.755 55.587 56.400 -0.097 0.000 0.870 50 E CB 1.777 31.427 29.700 -0.084 0.000 1.175 50 E HN 0.631 nan 8.360 nan 0.000 0.407 51 T N -0.958 113.587 114.554 -0.016 0.000 2.907 51 T HA 0.620 4.970 4.350 -0.001 0.000 0.292 51 T C -1.050 173.675 174.700 0.043 0.000 1.043 51 T CA -0.929 61.177 62.100 0.010 0.000 1.003 51 T CB 1.123 70.000 68.868 0.014 0.000 1.084 51 T HN 0.221 nan 8.240 nan 0.000 0.483 52 L N 1.757 123.032 121.223 0.086 0.000 2.406 52 L HA 0.679 5.019 4.340 -0.001 0.000 0.270 52 L C -0.590 176.455 176.870 0.292 0.000 0.982 52 L CA -0.161 54.792 54.840 0.188 0.000 0.843 52 L CB 1.903 44.135 42.059 0.288 0.000 1.225 52 L HN 0.870 nan 8.230 nan 0.000 0.412 53 S N 3.769 119.583 115.700 0.190 0.000 2.578 53 S HA 0.712 5.181 4.470 -0.001 0.000 0.283 53 S C -0.854 173.825 174.600 0.132 0.000 1.195 53 S CA -0.554 57.757 58.200 0.186 0.000 1.050 53 S CB 1.308 64.545 63.200 0.062 0.000 1.012 53 S HN 0.647 nan 8.310 nan 0.000 0.511 54 Q N 1.293 121.163 119.800 0.116 0.000 2.315 54 Q HA 0.306 4.645 4.340 -0.001 0.000 0.273 54 Q C -1.805 174.144 176.000 -0.084 0.000 1.053 54 Q CA -0.774 54.979 55.803 -0.083 0.000 0.817 54 Q CB 2.254 30.791 28.738 -0.335 0.000 1.326 54 Q HN 0.514 nan 8.270 nan 0.000 0.423 55 D N 3.046 123.380 120.400 -0.110 0.000 2.412 55 D HA 0.215 4.854 4.640 -0.001 0.000 0.224 55 D C -1.671 174.517 176.300 -0.186 0.000 1.093 55 D CA -2.020 51.908 54.000 -0.120 0.000 0.850 55 D CB 1.262 42.022 40.800 -0.067 0.000 1.046 55 D HN 0.206 nan 8.370 nan 0.000 0.507 56 P HA 0.182 nan 4.420 nan 0.000 0.255 56 P C 0.791 177.964 177.300 -0.212 0.000 1.248 56 P CA 0.179 63.050 63.100 -0.382 0.000 0.807 56 P CB 0.342 31.468 31.700 -0.956 0.000 1.150 57 G N 0.428 109.156 108.800 -0.121 0.000 2.225 57 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.267 57 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.267 57 G C 0.930 175.876 174.900 0.075 0.000 1.024 57 G CA 0.406 45.504 45.100 -0.004 0.000 0.784 57 G HN 0.688 nan 8.290 nan 0.000 0.507 58 G N -1.064 107.818 108.800 0.136 0.000 2.162 58 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.260 58 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.260 58 G C 0.125 175.169 174.900 0.240 0.000 0.976 58 G CA 0.988 46.235 45.100 0.244 0.000 0.655 58 G HN 1.438 nan 8.290 nan 0.000 0.533 59 D N 0.433 120.970 120.400 0.229 0.000 2.317 59 D HA 0.450 5.089 4.640 -0.001 0.000 0.234 59 D C -0.231 176.228 176.300 0.266 0.000 1.112 59 D CA -2.152 51.953 54.000 0.174 0.000 0.840 59 D CB 1.631 42.489 40.800 0.098 0.000 1.078 59 D HN 0.103 nan 8.370 nan 0.000 0.486 60 P HA -0.143 nan 4.420 nan 0.000 0.215 60 P C 0.654 178.027 177.300 0.122 0.000 1.153 60 P CA 0.951 64.090 63.100 0.066 0.000 0.853 60 P CB 0.502 32.191 31.700 -0.018 0.000 0.788 61 D N -0.182 120.273 120.400 0.092 0.000 2.123 61 D HA -0.145 4.495 4.640 -0.001 0.000 0.196 61 D C 2.149 178.486 176.300 0.062 0.000 0.992 61 D CA 1.064 55.103 54.000 0.065 0.000 0.833 61 D CB -0.555 40.273 40.800 0.047 0.000 0.954 61 D HN 0.239 nan 8.370 nan 0.000 0.455 62 R N -0.719 119.820 120.500 0.065 0.000 2.148 62 R HA -0.070 4.269 4.340 -0.001 0.000 0.223 62 R C 2.168 178.459 176.300 -0.015 0.000 1.088 62 R CA 0.529 56.628 56.100 -0.000 0.000 0.985 62 R CB -0.161 30.115 30.300 -0.041 0.000 0.880 62 R HN 0.287 nan 8.270 nan 0.000 0.451 63 Y N 0.457 120.733 120.300 -0.040 0.000 2.200 63 Y HA -0.150 4.399 4.550 -0.001 0.000 0.290 63 Y C 2.601 178.480 175.900 -0.035 0.000 1.137 63 Y CA 1.333 59.408 58.100 -0.041 0.000 1.163 63 Y CB -0.194 38.231 38.460 -0.059 0.000 0.988 63 Y HN -0.041 nan 8.280 nan 0.000 0.518 64 R N 0.451 121.034 120.500 0.138 0.000 2.097 64 R HA -0.210 4.130 4.340 -0.001 0.000 0.236 64 R C 2.092 178.408 176.300 0.026 0.000 1.135 64 R CA 2.065 58.201 56.100 0.060 0.000 0.934 64 R CB -0.699 29.624 30.300 0.039 0.000 0.846 64 R HN 0.338 nan 8.270 nan 0.000 0.431 65 L N -0.064 121.162 121.223 0.005 0.000 2.046 65 L HA -0.268 4.071 4.340 -0.001 0.000 0.208 65 L C 2.808 179.640 176.870 -0.064 0.000 1.077 65 L CA 1.321 56.144 54.840 -0.028 0.000 0.747 65 L CB -0.429 41.607 42.059 -0.039 0.000 0.896 65 L HN 0.423 nan 8.230 nan 0.000 0.432 66 C N -0.387 118.860 119.300 -0.089 0.000 2.446 66 C HA -0.099 4.360 4.460 -0.001 0.000 0.277 66 C C 3.157 178.094 174.990 -0.088 0.000 1.275 66 C CA 0.434 59.340 59.018 -0.187 0.000 1.727 66 C CB -1.185 26.403 27.740 -0.253 0.000 2.010 66 C HN 0.615 nan 8.230 nan 0.000 0.486 67 A N 0.731 123.595 122.820 0.072 0.000 1.917 67 A HA -0.259 4.060 4.320 -0.001 0.000 0.219 67 A C 2.021 179.673 177.584 0.113 0.000 1.182 67 A CA 2.041 54.183 52.037 0.175 0.000 0.633 67 A CB -0.613 18.445 19.000 0.096 0.000 0.819 67 A HN 0.704 nan 8.150 nan 0.000 0.448 68 E N -0.852 119.369 120.200 0.035 0.000 2.072 68 E HA -0.207 4.143 4.350 -0.001 0.000 0.191 68 E C 1.780 178.382 176.600 0.003 0.000 0.985 68 E CA 1.190 57.599 56.400 0.014 0.000 0.801 68 E CB -0.156 29.541 29.700 -0.007 0.000 0.750 68 E HN 0.746 nan 8.360 nan 0.000 0.452 69 D N -0.461 119.910 120.400 -0.048 0.000 2.097 69 D HA -0.187 4.452 4.640 -0.001 0.000 0.195 69 D C 1.527 177.802 176.300 -0.041 0.000 0.989 69 D CA 1.043 54.987 54.000 -0.094 0.000 0.827 69 D CB -0.036 40.643 40.800 -0.202 0.000 0.966 69 D HN 0.025 nan 8.370 nan 0.000 0.456 70 F N 0.372 120.303 119.950 -0.032 0.000 2.069 70 F HA -0.087 4.440 4.527 -0.001 0.000 0.298 70 F C 2.318 178.106 175.800 -0.020 0.000 1.113 70 F CA 0.959 58.943 58.000 -0.025 0.000 1.214 70 F CB -0.616 38.364 39.000 -0.033 0.000 0.978 70 F HN 0.075 nan 8.300 nan 0.000 0.474 71 I N -0.628 120.046 120.570 0.172 0.000 2.193 71 I HA -0.232 3.937 4.170 -0.001 0.000 0.240 71 I C 2.428 178.572 176.117 0.046 0.000 1.084 71 I CA 1.245 62.589 61.300 0.073 0.000 1.365 71 I CB -0.354 37.663 38.000 0.028 0.000 1.064 71 I HN -0.032 nan 8.210 nan 0.000 0.410 72 R N 0.535 121.054 120.500 0.031 0.000 2.073 72 R HA -0.021 4.318 4.340 -0.001 0.000 0.229 72 R C 1.454 177.764 176.300 0.016 0.000 1.120 72 R CA 1.259 57.368 56.100 0.014 0.000 0.967 72 R CB -0.211 30.090 30.300 0.002 0.000 0.862 72 R HN 0.362 nan 8.270 nan 0.000 0.436 73 N N -0.431 118.280 118.700 0.017 0.000 2.197 73 N HA 0.065 4.805 4.740 -0.001 0.000 0.201 73 N C 0.642 176.169 175.510 0.029 0.000 1.148 73 N CA 0.269 53.326 53.050 0.011 0.000 0.883 73 N CB 0.823 39.302 38.487 -0.014 0.000 1.012 73 N HN 0.052 nan 8.380 nan 0.000 0.507 74 R N -0.138 120.402 120.500 0.067 0.000 2.508 74 R HA 0.265 4.604 4.340 -0.001 0.000 0.300 74 R C 0.720 177.082 176.300 0.102 0.000 0.970 74 R CA 0.025 56.182 56.100 0.095 0.000 1.102 74 R CB -0.013 30.385 30.300 0.164 0.000 1.246 74 R HN 0.122 nan 8.270 nan 0.000 0.539 75 G N 1.588 110.438 108.800 0.084 0.000 2.203 75 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.263 75 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.263 75 G C 0.250 175.211 174.900 0.101 0.000 1.012 75 G CA 0.582 45.728 45.100 0.078 0.000 0.749 75 G HN 0.154 nan 8.290 nan 0.000 0.512 76 V N 0.267 120.249 119.914 0.113 0.000 2.583 76 V HA 0.497 4.617 4.120 -0.001 0.000 0.287 76 V C 1.309 177.402 176.094 -0.001 0.000 1.051 76 V CA -0.142 62.215 62.300 0.095 0.000 1.010 76 V CB 1.570 33.426 31.823 0.055 0.000 0.988 76 V HN 0.317 nan 8.190 nan 0.000 0.478 77 R N 2.397 122.862 120.500 -0.059 0.000 2.521 77 R HA 0.292 4.631 4.340 -0.001 0.000 0.289 77 R C -0.784 175.111 176.300 -0.676 0.000 0.936 77 R CA 0.186 56.078 56.100 -0.347 0.000 1.089 77 R CB 0.564 30.598 30.300 -0.442 0.000 1.348 77 R HN 0.571 nan 8.270 nan 0.000 0.536 78 F N 1.025 120.888 119.950 -0.145 0.000 2.477 78 F HA 0.517 5.043 4.527 -0.001 0.000 0.335 78 F C 0.058 175.736 175.800 -0.203 0.000 1.130 78 F CA -0.650 57.233 58.000 -0.197 0.000 0.948 78 F CB 1.562 40.429 39.000 -0.222 0.000 1.154 78 F HN -0.378 nan 8.300 nan 0.000 0.439 79 L N 3.632 124.798 121.223 -0.096 0.000 2.341 79 L HA 0.825 5.165 4.340 -0.001 0.000 0.267 79 L C -1.078 175.689 176.870 -0.171 0.000 1.009 79 L CA -1.241 53.468 54.840 -0.219 0.000 0.819 79 L CB 2.462 44.354 42.059 -0.279 0.000 1.323 79 L HN 0.221 nan 8.230 nan 0.000 0.425 80 V N 1.121 120.908 119.914 -0.212 0.000 2.443 80 V HA 0.940 5.059 4.120 -0.001 0.000 0.293 80 V C 0.130 175.928 176.094 -0.493 0.000 1.021 80 V CA -0.279 61.917 62.300 -0.173 0.000 0.848 80 V CB 1.199 33.022 31.823 -0.001 0.000 0.998 80 V HN 0.990 nan 8.190 nan 0.000 0.424 81 G N 2.020 110.507 108.800 -0.523 0.000 2.342 81 G HA2 0.531 4.491 3.960 -0.001 0.000 0.297 81 G HA3 0.531 4.491 3.960 -0.001 0.000 0.297 81 G C -0.953 173.781 174.900 -0.277 0.000 1.313 81 G CA 0.194 44.655 45.100 -1.065 0.000 0.830 81 G HN 1.127 nan 8.290 nan 0.000 0.506 82 C N -2.036 117.210 119.300 -0.090 0.000 0.168 82 C HA -0.007 4.452 4.460 -0.001 0.000 0.017 82 C C 0.306 175.528 174.990 0.386 0.000 0.171 82 C CA 0.481 59.602 59.018 0.172 0.000 0.499 82 C CB -1.609 26.133 27.740 0.004 0.000 3.212 82 C HN 1.540 nan 8.230 nan 0.000 1.118 83 Y N 0.920 121.285 120.300 0.107 0.000 3.284 83 Y HA 0.528 5.078 4.550 -0.001 0.000 0.165 83 Y C 1.150 177.062 175.900 0.020 0.000 0.881 83 Y CA 0.222 58.350 58.100 0.046 0.000 1.837 83 Y CB -0.356 38.139 38.460 0.057 0.000 1.398 83 Y HN 0.690 nan 8.280 nan 0.000 0.336 84 M N 1.525 121.099 119.600 -0.042 0.000 2.250 84 M HA -0.043 4.436 4.480 -0.001 0.000 0.337 84 M C 1.455 177.765 176.300 0.016 0.000 1.161 84 M CA 0.568 55.842 55.300 -0.044 0.000 1.088 84 M CB 0.751 33.261 32.600 -0.151 0.000 1.639 84 M HN 0.352 nan 8.290 nan 0.000 0.447 85 S N 0.814 116.673 115.700 0.265 0.000 2.383 85 S HA -0.198 4.271 4.470 -0.001 0.000 0.229 85 S C 1.496 176.191 174.600 0.158 0.000 1.030 85 S CA 1.924 60.248 58.200 0.207 0.000 1.002 85 S CB -0.709 62.679 63.200 0.314 0.000 0.829 85 S HN 0.850 nan 8.310 nan 0.000 0.467 86 H N 0.231 119.324 119.070 0.038 0.000 2.457 86 H HA 0.009 4.565 4.556 -0.001 0.000 0.294 86 H C 2.326 177.573 175.328 -0.136 0.000 1.064 86 H CA 1.371 57.408 56.048 -0.018 0.000 1.330 86 H CB -0.660 29.119 29.762 0.028 0.000 1.395 86 H HN 0.469 nan 8.280 nan 0.000 0.541 87 T N -0.911 113.327 114.554 -0.525 0.000 2.857 87 T HA -0.129 4.220 4.350 -0.001 0.000 0.266 87 T C 2.106 176.503 174.700 -0.505 0.000 1.048 87 T CA 0.808 62.459 62.100 -0.750 0.000 1.139 87 T CB -0.146 67.829 68.868 -1.489 0.000 0.874 87 T HN 0.396 nan 8.240 nan 0.000 0.455 88 R N 0.895 121.165 120.500 -0.383 0.000 2.075 88 R HA -0.021 4.319 4.340 -0.001 0.000 0.232 88 R C 2.267 178.399 176.300 -0.279 0.000 1.126 88 R CA 0.960 56.816 56.100 -0.407 0.000 0.963 88 R CB -0.072 29.805 30.300 -0.706 0.000 0.858 88 R HN 0.202 nan 8.270 nan 0.000 0.435 89 K N 0.310 120.606 120.400 -0.173 0.000 2.147 89 K HA -0.066 4.254 4.320 -0.001 0.000 0.205 89 K C 1.887 178.440 176.600 -0.078 0.000 1.049 89 K CA 1.260 57.491 56.287 -0.092 0.000 0.936 89 K CB -0.240 32.252 32.500 -0.014 0.000 0.722 89 K HN 0.256 nan 8.250 nan 0.000 0.446 90 A N 0.729 123.496 122.820 -0.089 0.000 1.930 90 A HA -0.071 4.248 4.320 -0.001 0.000 0.217 90 A C 2.386 179.941 177.584 -0.048 0.000 1.175 90 A CA 1.217 53.224 52.037 -0.050 0.000 0.627 90 A CB -0.279 18.698 19.000 -0.038 0.000 0.815 90 A HN 0.067 nan 8.150 nan 0.000 0.443 91 V N -0.530 119.335 119.914 -0.082 0.000 2.725 91 V HA -0.165 3.954 4.120 -0.001 0.000 0.247 91 V C 2.421 178.458 176.094 -0.094 0.000 1.058 91 V CA 1.539 63.801 62.300 -0.064 0.000 1.080 91 V CB -0.525 31.260 31.823 -0.063 0.000 0.713 91 V HN 0.687 nan 8.190 nan 0.000 0.465 92 M N 1.029 120.550 119.600 -0.130 0.000 2.110 92 M HA -0.183 4.296 4.480 -0.001 0.000 0.257 92 M C -0.363 175.882 176.300 -0.092 0.000 1.071 92 M CA 2.661 57.880 55.300 -0.136 0.000 1.096 92 M CB -1.101 31.412 32.600 -0.145 0.000 1.300 92 M HN 0.242 nan 8.290 nan 0.000 0.411 93 P HA -0.125 nan 4.420 nan 0.000 0.216 93 P C 1.655 178.929 177.300 -0.043 0.000 1.150 93 P CA 1.378 64.452 63.100 -0.043 0.000 0.837 93 P CB -0.271 31.413 31.700 -0.026 0.000 0.786 94 V N 0.453 120.341 119.914 -0.043 0.000 2.307 94 V HA -0.187 3.932 4.120 -0.001 0.000 0.245 94 V C 2.729 178.791 176.094 -0.054 0.000 1.045 94 V CA 2.141 64.420 62.300 -0.036 0.000 1.024 94 V CB -1.458 30.353 31.823 -0.020 0.000 0.651 94 V HN 0.054 nan 8.190 nan 0.000 0.449 95 V N -1.171 118.697 119.914 -0.077 0.000 2.427 95 V HA -0.203 3.916 4.120 -0.001 0.000 0.248 95 V C 2.118 178.150 176.094 -0.103 0.000 1.051 95 V CA 2.079 64.316 62.300 -0.105 0.000 1.048 95 V CB -0.757 30.983 31.823 -0.139 0.000 0.666 95 V HN 0.604 nan 8.190 nan 0.000 0.456 96 E N 0.427 120.573 120.200 -0.090 0.000 2.077 96 E HA -0.167 4.182 4.350 -0.001 0.000 0.193 96 E C 2.461 179.027 176.600 -0.057 0.000 0.989 96 E CA 1.535 57.890 56.400 -0.075 0.000 0.800 96 E CB -0.208 29.456 29.700 -0.060 0.000 0.746 96 E HN 0.583 nan 8.360 nan 0.000 0.452 97 R N 0.108 120.579 120.500 -0.048 0.000 2.148 97 R HA -0.034 4.306 4.340 -0.001 0.000 0.227 97 R C 1.979 178.253 176.300 -0.043 0.000 1.103 97 R CA 1.017 57.095 56.100 -0.037 0.000 0.983 97 R CB -0.048 30.235 30.300 -0.028 0.000 0.874 97 R HN 0.067 nan 8.270 nan 0.000 0.451 98 A N 0.572 123.357 122.820 -0.057 0.000 2.275 98 A HA 0.019 4.339 4.320 -0.001 0.000 0.212 98 A C -0.185 177.346 177.584 -0.087 0.000 1.201 98 A CA 0.145 52.143 52.037 -0.065 0.000 0.843 98 A CB 0.320 19.279 19.000 -0.069 0.000 0.873 98 A HN 0.257 nan 8.150 nan 0.000 0.492 99 D N -1.438 118.906 120.400 -0.093 0.000 2.800 99 D HA -0.155 4.485 4.640 -0.001 0.000 0.232 99 D C 0.450 176.643 176.300 -0.177 0.000 1.137 99 D CA 1.082 55.016 54.000 -0.109 0.000 0.718 99 D CB -1.681 39.068 40.800 -0.085 0.000 1.084 99 D HN 0.698 nan 8.370 nan 0.000 0.432 100 A N -0.471 122.229 122.820 -0.201 0.000 2.336 100 A HA 0.765 5.084 4.320 -0.001 0.000 0.291 100 A C -0.070 177.330 177.584 -0.307 0.000 1.266 100 A CA -0.452 51.402 52.037 -0.304 0.000 0.891 100 A CB 0.897 19.750 19.000 -0.246 0.000 1.366 100 A HN 0.238 nan 8.150 nan 0.000 0.507 101 L N -0.572 120.431 121.223 -0.367 0.000 2.470 101 L HA 0.648 4.988 4.340 -0.001 0.000 0.268 101 L C -1.367 175.380 176.870 -0.205 0.000 0.964 101 L CA -0.382 54.300 54.840 -0.263 0.000 0.839 101 L CB 1.780 43.683 42.059 -0.261 0.000 1.276 101 L HN 0.701 nan 8.230 nan 0.000 0.403 102 L N 5.125 126.229 121.223 -0.198 0.000 2.329 102 L HA 0.694 5.034 4.340 -0.001 0.000 0.279 102 L C -1.089 175.666 176.870 -0.191 0.000 1.014 102 L CA 0.025 54.748 54.840 -0.196 0.000 0.814 102 L CB 1.603 43.525 42.059 -0.228 0.000 1.257 102 L HN 0.751 nan 8.230 nan 0.000 0.424 103 C N 4.561 123.769 119.300 -0.153 0.000 2.273 103 C HA 0.351 4.810 4.460 -0.001 0.000 0.328 103 C C -0.599 174.334 174.990 -0.096 0.000 1.275 103 C CA -0.474 58.455 59.018 -0.148 0.000 1.704 103 C CB -0.340 27.310 27.740 -0.150 0.000 2.326 103 C HN 0.683 nan 8.230 nan 0.000 0.517 104 Y N 6.808 126.932 120.300 -0.293 0.000 2.717 104 Y HA 0.360 4.910 4.550 -0.001 0.000 0.329 104 Y C -2.142 173.662 175.900 -0.159 0.000 1.017 104 Y CA -2.981 54.965 58.100 -0.258 0.000 1.275 104 Y CB 0.851 39.041 38.460 -0.450 0.000 1.109 104 Y HN 0.542 nan 8.280 nan 0.000 0.511 105 P HA 0.216 nan 4.420 nan 0.000 0.214 105 P C -0.947 176.214 177.300 -0.231 0.000 1.826 105 P CA 0.226 63.215 63.100 -0.184 0.000 0.977 105 P CB 0.139 31.790 31.700 -0.082 0.000 1.930 106 T N 1.813 115.976 114.554 -0.651 0.000 2.923 106 T HA 0.417 4.767 4.350 -0.001 0.000 0.311 106 T C -3.029 171.116 174.700 -0.926 0.000 1.183 106 T CA -1.711 59.781 62.100 -1.013 0.000 1.020 106 T CB 2.234 70.261 68.868 -1.402 0.000 1.165 106 T HN -0.025 nan 8.240 nan 0.000 0.482 107 P HA 0.343 nan 4.420 nan 0.000 0.272 107 P C -1.404 175.765 177.300 -0.218 0.000 1.223 107 P CA -0.074 62.727 63.100 -0.499 0.000 0.784 107 P CB 0.332 31.716 31.700 -0.527 0.000 0.923 108 Y N -0.602 119.654 120.300 -0.073 0.000 2.764 108 Y HA 0.316 4.865 4.550 -0.001 0.000 0.331 108 Y C 1.021 177.151 175.900 0.382 0.000 1.280 108 Y CA -1.009 57.145 58.100 0.091 0.000 1.065 108 Y CB 0.105 38.699 38.460 0.224 0.000 1.319 108 Y HN 0.333 nan 8.280 nan 0.000 0.453 109 E N 1.629 121.906 120.200 0.129 0.000 2.472 109 E HA 0.281 4.631 4.350 -0.001 0.000 0.200 109 E C 0.971 177.409 176.600 -0.270 0.000 1.046 109 E CA 1.052 57.455 56.400 0.004 0.000 0.871 109 E CB -0.694 29.075 29.700 0.115 0.000 0.806 109 E HN 1.447 nan 8.360 nan 0.000 0.533 110 G N 1.334 109.440 108.800 -1.155 0.000 2.642 110 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.231 110 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.231 110 G C -0.025 174.724 174.900 -0.252 0.000 1.338 110 G CA -0.162 44.422 45.100 -0.860 0.000 0.883 110 G HN 0.335 nan 8.290 nan 0.000 0.570 111 F N -0.354 119.196 119.950 -0.666 0.000 3.040 111 F HA -0.091 4.436 4.527 -0.001 0.000 0.298 111 F C 0.478 176.007 175.800 -0.451 0.000 0.948 111 F CA 2.045 59.461 58.000 -0.974 0.000 1.022 111 F CB -1.062 37.671 39.000 -0.446 0.000 1.023 111 F HN 0.946 nan 8.300 nan 0.000 0.742 112 E N -0.010 120.106 120.200 -0.141 0.000 2.372 112 E HA 0.568 4.918 4.350 -0.001 0.000 0.279 112 E C -1.835 174.994 176.600 0.381 0.000 0.946 112 E CA -0.984 55.575 56.400 0.265 0.000 0.769 112 E CB 2.067 31.964 29.700 0.328 0.000 1.230 112 E HN 0.136 nan 8.360 nan 0.000 0.442 113 Y N 2.093 122.592 120.300 0.331 0.000 2.362 113 Y HA 0.480 5.030 4.550 -0.001 0.000 0.326 113 Y C -1.721 174.341 175.900 0.270 0.000 1.083 113 Y CA -0.444 57.839 58.100 0.305 0.000 1.073 113 Y CB 1.868 40.480 38.460 0.254 0.000 1.211 113 Y HN 0.358 nan 8.280 nan 0.000 0.433 114 S N 7.152 122.550 115.700 -0.504 0.000 2.532 114 S HA 0.517 4.987 4.470 -0.001 0.000 0.299 114 S C -2.426 171.711 174.600 -0.772 0.000 1.105 114 S CA -1.873 56.051 58.200 -0.461 0.000 1.018 114 S CB 1.794 64.886 63.200 -0.180 0.000 1.021 114 S HN 0.541 nan 8.310 nan 0.000 0.483 115 P HA 0.066 nan 4.420 nan 0.000 0.226 115 P C -0.001 177.241 177.300 -0.098 0.000 1.153 115 P CA 0.877 63.860 63.100 -0.195 0.000 0.777 115 P CB -0.091 31.620 31.700 0.019 0.000 0.794 116 N N -1.138 117.472 118.700 -0.150 0.000 2.230 116 N HA 0.186 4.925 4.740 -0.001 0.000 0.202 116 N C 0.024 175.416 175.510 -0.198 0.000 1.119 116 N CA 0.128 53.092 53.050 -0.143 0.000 0.851 116 N CB 0.225 38.625 38.487 -0.145 0.000 0.990 116 N HN 0.155 nan 8.380 nan 0.000 0.497 117 I N 0.621 121.043 120.570 -0.247 0.000 2.498 117 I HA 0.310 4.479 4.170 -0.001 0.000 0.290 117 I C -0.807 175.086 176.117 -0.373 0.000 1.032 117 I CA -1.098 59.942 61.300 -0.432 0.000 1.073 117 I CB 2.412 39.938 38.000 -0.790 0.000 1.251 117 I HN -0.285 nan 8.210 nan 0.000 0.426 118 V N 6.574 126.309 119.914 -0.298 0.000 2.350 118 V HA 0.234 4.354 4.120 -0.001 0.000 0.276 118 V C -0.813 175.168 176.094 -0.187 0.000 1.028 118 V CA -0.574 61.663 62.300 -0.105 0.000 0.860 118 V CB 0.528 32.324 31.823 -0.046 0.000 0.990 118 V HN 0.389 nan 8.190 nan 0.000 0.453 119 Y N 3.053 123.304 120.300 -0.081 0.000 2.504 119 Y HA 0.438 4.987 4.550 -0.001 0.000 0.351 119 Y C 1.419 177.349 175.900 0.050 0.000 0.988 119 Y CA -0.451 57.580 58.100 -0.115 0.000 1.239 119 Y CB 0.978 39.104 38.460 -0.556 0.000 1.128 119 Y HN 0.680 nan 8.280 nan 0.000 0.525 120 G N 1.801 110.663 108.800 0.102 0.000 3.042 120 G HA2 0.299 4.259 3.960 -0.001 0.000 0.212 120 G HA3 0.299 4.259 3.960 -0.001 0.000 0.212 120 G C 0.595 175.686 174.900 0.318 0.000 1.166 120 G CA 0.290 45.493 45.100 0.172 0.000 0.767 120 G HN 0.813 nan 8.290 nan 0.000 0.546 121 G N -0.193 108.732 108.800 0.208 0.000 2.568 121 G HA2 0.645 4.605 3.960 -0.001 0.000 0.313 121 G HA3 0.645 4.605 3.960 -0.001 0.000 0.313 121 G C -3.023 172.067 174.900 0.317 0.000 1.227 121 G CA -1.468 43.775 45.100 0.237 0.000 0.979 121 G HN -0.074 nan 8.290 nan 0.000 0.486 122 P HA 0.380 nan 4.420 nan 0.000 0.275 122 P C -0.111 177.367 177.300 0.296 0.000 1.227 122 P CA -0.070 63.222 63.100 0.320 0.000 0.781 122 P CB 1.353 33.234 31.700 0.301 0.000 0.906 123 A N 5.202 128.182 122.820 0.268 0.000 2.287 123 A HA 0.422 4.742 4.320 -0.001 0.000 0.273 123 A C -1.421 176.219 177.584 0.094 0.000 1.091 123 A CA -1.438 50.652 52.037 0.089 0.000 0.817 123 A CB -0.817 18.212 19.000 0.048 0.000 1.069 123 A HN 0.330 nan 8.150 nan 0.000 0.492 124 P HA -0.180 nan 4.420 nan 0.000 0.218 124 P C 1.082 178.414 177.300 0.054 0.000 1.146 124 P CA 1.540 64.677 63.100 0.060 0.000 0.813 124 P CB -0.089 31.657 31.700 0.076 0.000 0.778 125 N N -0.075 118.748 118.700 0.205 0.000 2.453 125 N HA -0.174 4.565 4.740 -0.001 0.000 0.183 125 N C 1.196 176.856 175.510 0.250 0.000 1.041 125 N CA 1.143 54.363 53.050 0.282 0.000 0.900 125 N CB -0.620 38.052 38.487 0.308 0.000 0.961 125 N HN 0.323 nan 8.380 nan 0.000 0.443 126 Q N -0.509 119.407 119.800 0.194 0.000 2.356 126 Q HA 0.096 4.436 4.340 -0.001 0.000 0.205 126 Q C 0.484 176.569 176.000 0.141 0.000 0.901 126 Q CA 0.570 56.491 55.803 0.197 0.000 0.938 126 Q CB 0.258 29.129 28.738 0.222 0.000 1.081 126 Q HN 0.561 nan 8.270 nan 0.000 0.517 127 N N -2.069 116.693 118.700 0.102 0.000 2.271 127 N HA 0.010 4.750 4.740 -0.001 0.000 0.267 127 N C 1.335 176.857 175.510 0.020 0.000 0.987 127 N CA 0.553 53.657 53.050 0.089 0.000 0.824 127 N CB -0.276 38.324 38.487 0.189 0.000 1.775 127 N HN -0.133 nan 8.380 nan 0.000 0.728 128 S N 1.321 117.027 115.700 0.011 0.000 2.355 128 S HA 0.125 4.595 4.470 -0.001 0.000 0.222 128 S C 2.128 176.629 174.600 -0.164 0.000 1.031 128 S CA 1.283 59.451 58.200 -0.054 0.000 0.993 128 S CB -0.598 62.558 63.200 -0.073 0.000 0.859 128 S HN 0.635 nan 8.310 nan 0.000 0.453 129 A N 2.887 125.579 122.820 -0.215 0.000 1.851 129 A HA -0.059 4.261 4.320 -0.001 0.000 0.216 129 A C 0.028 177.495 177.584 -0.195 0.000 1.195 129 A CA 1.670 53.609 52.037 -0.163 0.000 0.622 129 A CB -1.955 17.061 19.000 0.026 0.000 0.831 129 A HN 0.417 nan 8.150 nan 0.000 0.444 130 P HA -0.151 nan 4.420 nan 0.000 0.215 130 P C 1.698 178.656 177.300 -0.571 0.000 1.153 130 P CA 1.112 63.630 63.100 -0.971 0.000 0.853 130 P CB -0.193 30.778 31.700 -1.214 0.000 0.788 131 L N -0.064 120.969 121.223 -0.316 0.000 2.017 131 L HA -0.073 4.267 4.340 -0.001 0.000 0.208 131 L C 2.374 179.178 176.870 -0.110 0.000 1.073 131 L CA 2.118 56.866 54.840 -0.153 0.000 0.745 131 L CB -1.628 40.414 42.059 -0.028 0.000 0.894 131 L HN -0.094 nan 8.230 nan 0.000 0.432 132 A N -0.171 122.544 122.820 -0.174 0.000 1.892 132 A HA -0.231 4.088 4.320 -0.001 0.000 0.218 132 A C 2.489 179.929 177.584 -0.240 0.000 1.188 132 A CA 2.409 54.313 52.037 -0.221 0.000 0.631 132 A CB -1.392 17.470 19.000 -0.231 0.000 0.822 132 A HN 0.635 nan 8.150 nan 0.000 0.447 133 A N -1.746 120.946 122.820 -0.212 0.000 1.883 133 A HA -0.151 4.169 4.320 -0.001 0.000 0.217 133 A C 2.178 179.661 177.584 -0.168 0.000 1.186 133 A CA 1.785 53.710 52.037 -0.187 0.000 0.624 133 A CB -0.885 18.072 19.000 -0.073 0.000 0.822 133 A HN 0.748 nan 8.150 nan 0.000 0.444 134 Y N 0.431 120.573 120.300 -0.263 0.000 2.145 134 Y HA -0.180 4.369 4.550 -0.001 0.000 0.286 134 Y C 2.061 178.000 175.900 0.066 0.000 1.145 134 Y CA 2.041 60.077 58.100 -0.107 0.000 1.148 134 Y CB -0.235 38.144 38.460 -0.135 0.000 0.981 134 Y HN 0.226 nan 8.280 nan 0.000 0.507 135 L N -0.526 120.805 121.223 0.179 0.000 2.056 135 L HA -0.223 4.117 4.340 -0.001 0.000 0.207 135 L C 2.354 179.273 176.870 0.081 0.000 1.078 135 L CA 1.402 56.389 54.840 0.246 0.000 0.749 135 L CB -0.560 41.619 42.059 0.200 0.000 0.901 135 L HN 0.264 nan 8.230 nan 0.000 0.433 136 I N -0.570 119.904 120.570 -0.160 0.000 2.361 136 I HA -0.254 3.916 4.170 -0.001 0.000 0.251 136 I C 2.681 178.678 176.117 -0.199 0.000 1.133 136 I CA 0.995 62.157 61.300 -0.230 0.000 1.413 136 I CB -0.173 37.602 38.000 -0.375 0.000 1.073 136 I HN 0.160 nan 8.210 nan 0.000 0.424 137 R N -0.257 120.059 120.500 -0.306 0.000 2.073 137 R HA -0.055 4.285 4.340 -0.001 0.000 0.229 137 R C 2.063 178.020 176.300 -0.572 0.000 1.120 137 R CA 1.216 57.028 56.100 -0.480 0.000 0.967 137 R CB -0.233 29.636 30.300 -0.718 0.000 0.862 137 R HN 0.416 nan 8.270 nan 0.000 0.436 138 H N -2.403 116.473 119.070 -0.324 0.000 2.648 138 H HA 0.213 4.769 4.556 -0.001 0.000 0.265 138 H C -0.219 174.780 175.328 -0.548 0.000 0.961 138 H CA 0.311 56.066 56.048 -0.488 0.000 1.185 138 H CB 0.530 29.819 29.762 -0.790 0.000 1.449 138 H HN 0.088 nan 8.280 nan 0.000 0.523 139 Y N 0.013 120.314 120.300 0.001 0.000 2.633 139 Y HA 0.485 5.034 4.550 -0.001 0.000 0.339 139 Y C 1.205 177.132 175.900 0.045 0.000 1.045 139 Y CA -1.024 57.102 58.100 0.043 0.000 1.098 139 Y CB 0.774 39.288 38.460 0.089 0.000 1.296 139 Y HN 0.001 nan 8.280 nan 0.000 0.494 140 G N 0.036 108.975 108.800 0.233 0.000 2.732 140 G HA2 0.125 4.085 3.960 -0.001 0.000 0.244 140 G HA3 0.125 4.085 3.960 -0.001 0.000 0.244 140 G C 0.352 175.358 174.900 0.177 0.000 1.226 140 G CA -0.161 45.027 45.100 0.147 0.000 0.860 140 G HN 0.870 nan 8.290 nan 0.000 0.583 141 E N -0.913 119.365 120.200 0.130 0.000 2.474 141 E HA 0.069 4.419 4.350 -0.001 0.000 0.194 141 E C 0.769 177.441 176.600 0.119 0.000 1.041 141 E CA -0.078 56.419 56.400 0.163 0.000 0.874 141 E CB 0.233 29.994 29.700 0.101 0.000 0.914 141 E HN 0.332 nan 8.360 nan 0.000 0.498 142 R N 1.400 121.939 120.500 0.065 0.000 2.196 142 R HA 0.383 4.723 4.340 -0.001 0.000 0.340 142 R C -1.298 174.977 176.300 -0.042 0.000 1.043 142 R CA -0.346 55.752 56.100 -0.002 0.000 0.883 142 R CB 1.899 32.196 30.300 -0.005 0.000 1.078 142 R HN 0.024 nan 8.270 nan 0.000 0.462 143 V N 4.833 124.651 119.914 -0.160 0.000 2.540 143 V HA 0.423 4.543 4.120 -0.001 0.000 0.302 143 V C -0.866 175.113 176.094 -0.191 0.000 1.035 143 V CA -0.783 61.389 62.300 -0.214 0.000 0.873 143 V CB 2.133 33.634 31.823 -0.537 0.000 0.992 143 V HN 0.462 nan 8.190 nan 0.000 0.428 144 V N 7.598 127.481 119.914 -0.052 0.000 2.547 144 V HA 0.648 4.768 4.120 -0.001 0.000 0.299 144 V C -1.066 175.141 176.094 0.188 0.000 1.040 144 V CA -0.423 61.865 62.300 -0.021 0.000 0.913 144 V CB 1.684 33.503 31.823 -0.007 0.000 0.992 144 V HN 0.729 nan 8.190 nan 0.000 0.449 145 F N 6.236 126.148 119.950 -0.063 0.000 2.443 145 F HA 0.648 5.175 4.527 -0.001 0.000 0.335 145 F C 0.082 175.788 175.800 -0.157 0.000 1.104 145 F CA -1.387 56.584 58.000 -0.048 0.000 1.013 145 F CB 1.628 40.620 39.000 -0.013 0.000 1.136 145 F HN 0.372 nan 8.300 nan 0.000 0.470 146 I N 2.145 122.689 120.570 -0.043 0.000 2.500 146 I HA 0.740 4.910 4.170 -0.001 0.000 0.286 146 I C -0.592 175.417 176.117 -0.180 0.000 1.063 146 I CA 0.188 61.408 61.300 -0.133 0.000 1.062 146 I CB 1.455 39.416 38.000 -0.065 0.000 1.223 146 I HN 0.552 nan 8.210 nan 0.000 0.435 147 G N 3.931 112.608 108.800 -0.204 0.000 2.642 147 G HA2 0.569 4.528 3.960 -0.001 0.000 0.293 147 G HA3 0.569 4.528 3.960 -0.001 0.000 0.293 147 G C -1.387 173.618 174.900 0.175 0.000 1.341 147 G CA -0.682 44.403 45.100 -0.026 0.000 0.916 147 G HN 0.508 nan 8.290 nan 0.000 0.474 148 S N -0.099 115.744 115.700 0.238 0.000 2.580 148 S HA 0.231 4.700 4.470 -0.001 0.000 0.274 148 S C -0.207 174.616 174.600 0.371 0.000 1.329 148 S CA -0.222 58.167 58.200 0.316 0.000 1.036 148 S CB 1.427 64.858 63.200 0.384 0.000 0.919 148 S HN 0.579 nan 8.310 nan 0.000 0.515 149 D N 2.366 122.961 120.400 0.324 0.000 2.470 149 D HA 0.340 4.980 4.640 -0.001 0.000 0.226 149 D C -0.706 175.700 176.300 0.177 0.000 1.196 149 D CA -0.038 54.067 54.000 0.176 0.000 0.979 149 D CB -0.656 40.226 40.800 0.137 0.000 1.059 149 D HN 0.512 nan 8.370 nan 0.000 0.515 150 Y N 0.663 120.917 120.300 -0.076 0.000 2.788 150 Y HA 0.245 4.795 4.550 -0.001 0.000 0.335 150 Y C 0.383 176.215 175.900 -0.113 0.000 1.287 150 Y CA -1.158 56.848 58.100 -0.157 0.000 1.068 150 Y CB -0.283 38.027 38.460 -0.250 0.000 1.340 150 Y HN -0.071 nan 8.280 nan 0.000 0.449 151 I N 0.996 121.409 120.570 -0.262 0.000 2.208 151 I HA -0.198 3.971 4.170 -0.001 0.000 0.245 151 I C 2.066 177.998 176.117 -0.308 0.000 1.097 151 I CA 2.074 63.238 61.300 -0.228 0.000 1.363 151 I CB -0.693 37.277 38.000 -0.051 0.000 1.051 151 I HN 0.777 nan 8.210 nan 0.000 0.413 152 Y N 1.889 121.841 120.300 -0.581 0.000 2.114 152 Y HA -0.135 4.414 4.550 -0.001 0.000 0.284 152 Y C -0.617 175.098 175.900 -0.307 0.000 1.143 152 Y CA 1.884 59.767 58.100 -0.363 0.000 1.135 152 Y CB -1.925 36.404 38.460 -0.217 0.000 0.980 152 Y HN 0.198 nan 8.280 nan 0.000 0.499 153 P HA -0.168 nan 4.420 nan 0.000 0.216 153 P C 1.232 178.452 177.300 -0.133 0.000 1.150 153 P CA 2.331 65.269 63.100 -0.270 0.000 0.837 153 P CB -0.062 31.601 31.700 -0.060 0.000 0.786 154 R N -0.440 119.961 120.500 -0.164 0.000 2.066 154 R HA -0.103 4.237 4.340 -0.001 0.000 0.232 154 R C 2.279 178.533 176.300 -0.076 0.000 1.131 154 R CA 1.107 57.150 56.100 -0.095 0.000 0.955 154 R CB -0.621 29.526 30.300 -0.254 0.000 0.851 154 R HN 0.222 nan 8.270 nan 0.000 0.432 155 E N 0.401 120.489 120.200 -0.186 0.000 2.072 155 E HA -0.100 4.250 4.350 -0.001 0.000 0.191 155 E C 2.114 178.632 176.600 -0.137 0.000 0.985 155 E CA 1.162 57.458 56.400 -0.174 0.000 0.801 155 E CB -0.097 29.482 29.700 -0.202 0.000 0.750 155 E HN 0.194 nan 8.360 nan 0.000 0.452 156 S N 1.725 117.240 115.700 -0.309 0.000 2.370 156 S HA -0.131 4.338 4.470 -0.001 0.000 0.226 156 S C 1.689 176.268 174.600 -0.035 0.000 1.033 156 S CA 1.045 59.096 58.200 -0.248 0.000 1.011 156 S CB -0.209 62.719 63.200 -0.454 0.000 0.852 156 S HN 0.231 nan 8.310 nan 0.000 0.457 157 N N 0.592 119.300 118.700 0.013 0.000 2.244 157 N HA -0.081 4.659 4.740 -0.001 0.000 0.183 157 N C 1.504 177.198 175.510 0.307 0.000 1.016 157 N CA 1.016 54.139 53.050 0.121 0.000 0.866 157 N CB -0.542 38.093 38.487 0.246 0.000 0.980 157 N HN 0.597 nan 8.380 nan 0.000 0.430 158 H N 0.423 119.561 119.070 0.114 0.000 2.321 158 H HA 0.015 4.570 4.556 -0.001 0.000 0.300 158 H C 1.865 177.209 175.328 0.027 0.000 1.087 158 H CA 1.591 57.679 56.048 0.066 0.000 1.319 158 H CB -0.061 29.662 29.762 -0.066 0.000 1.379 158 H HN -0.102 nan 8.280 nan 0.000 0.501 159 V N 0.172 120.165 119.914 0.131 0.000 2.270 159 V HA -0.252 3.867 4.120 -0.001 0.000 0.245 159 V C 2.540 178.711 176.094 0.128 0.000 1.043 159 V CA 1.918 64.280 62.300 0.102 0.000 1.014 159 V CB -0.564 31.334 31.823 0.124 0.000 0.645 159 V HN 0.448 nan 8.190 nan 0.000 0.447 160 M N 0.891 120.551 119.600 0.099 0.000 2.108 160 M HA -0.190 4.289 4.480 -0.001 0.000 0.261 160 M C 2.283 178.849 176.300 0.444 0.000 1.066 160 M CA 2.039 57.406 55.300 0.111 0.000 1.107 160 M CB -0.691 31.723 32.600 -0.309 0.000 1.356 160 M HN 0.453 nan 8.290 nan 0.000 0.406 161 R N -2.189 118.651 120.500 0.567 0.000 2.092 161 R HA -0.155 4.185 4.340 -0.001 0.000 0.231 161 R C 1.883 178.352 176.300 0.281 0.000 1.119 161 R CA 1.902 58.246 56.100 0.406 0.000 0.970 161 R CB -1.123 29.331 30.300 0.257 0.000 0.864 161 R HN 0.353 nan 8.270 nan 0.000 0.440 162 H N 0.493 119.613 119.070 0.082 0.000 2.353 162 H HA -0.043 4.512 4.556 -0.001 0.000 0.300 162 H C 1.747 177.145 175.328 0.118 0.000 1.090 162 H CA 1.629 57.704 56.048 0.044 0.000 1.327 162 H CB -0.109 29.645 29.762 -0.013 0.000 1.383 162 H HN 0.052 nan 8.280 nan 0.000 0.508 163 L N -0.559 120.832 121.223 0.279 0.000 2.012 163 L HA -0.206 4.133 4.340 -0.001 0.000 0.210 163 L C 1.949 178.943 176.870 0.206 0.000 1.073 163 L CA 1.642 56.615 54.840 0.220 0.000 0.748 163 L CB -1.214 40.901 42.059 0.093 0.000 0.891 163 L HN 0.300 nan 8.230 nan 0.000 0.431 164 Y N -0.213 120.155 120.300 0.113 0.000 2.145 164 Y HA -0.237 4.312 4.550 -0.001 0.000 0.286 164 Y C 2.761 178.696 175.900 0.057 0.000 1.145 164 Y CA 1.528 59.675 58.100 0.078 0.000 1.148 164 Y CB -0.213 38.270 38.460 0.038 0.000 0.981 164 Y HN 0.106 nan 8.280 nan 0.000 0.507 165 R N -0.288 120.313 120.500 0.170 0.000 2.096 165 R HA -0.229 4.111 4.340 -0.001 0.000 0.235 165 R C 2.091 178.393 176.300 0.003 0.000 1.127 165 R CA 1.655 57.780 56.100 0.041 0.000 0.968 165 R CB -0.287 29.980 30.300 -0.055 0.000 0.861 165 R HN 0.395 nan 8.270 nan 0.000 0.440 166 Q N -0.335 119.475 119.800 0.017 0.000 2.444 166 Q HA -0.077 4.263 4.340 -0.001 0.000 0.206 166 Q C -0.028 175.787 176.000 -0.308 0.000 0.948 166 Q CA 1.120 56.867 55.803 -0.093 0.000 0.946 166 Q CB 0.382 29.104 28.738 -0.026 0.000 1.027 166 Q HN 0.416 nan 8.270 nan 0.000 0.513 167 H N -1.581 117.468 119.070 -0.035 0.000 2.492 167 H HA 0.361 4.916 4.556 -0.001 0.000 0.264 167 H C 0.521 175.821 175.328 -0.046 0.000 1.150 167 H CA 0.309 56.322 56.048 -0.059 0.000 0.962 167 H CB 1.202 30.894 29.762 -0.116 0.000 1.766 167 H HN 0.355 nan 8.280 nan 0.000 0.589 168 G N -0.152 108.657 108.800 0.015 0.000 2.205 168 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.261 168 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.261 168 G C 0.865 175.800 174.900 0.060 0.000 0.980 168 G CA 0.104 45.217 45.100 0.023 0.000 0.632 168 G HN 0.738 nan 8.290 nan 0.000 0.533 169 G N -0.995 107.880 108.800 0.124 0.000 2.580 169 G HA2 0.602 4.562 3.960 -0.001 0.000 0.278 169 G HA3 0.602 4.562 3.960 -0.001 0.000 0.278 169 G C -0.258 174.712 174.900 0.117 0.000 1.212 169 G CA 0.591 45.813 45.100 0.204 0.000 0.939 169 G HN 0.727 nan 8.290 nan 0.000 0.513 170 T N 0.066 114.652 114.554 0.055 0.000 2.840 170 T HA 0.360 4.710 4.350 -0.001 0.000 0.287 170 T C -0.257 174.348 174.700 -0.159 0.000 0.991 170 T CA -0.337 61.736 62.100 -0.045 0.000 0.964 170 T CB 1.689 70.530 68.868 -0.045 0.000 0.954 170 T HN 0.294 nan 8.240 nan 0.000 0.438 171 V N 5.468 125.240 119.914 -0.237 0.000 2.356 171 V HA 0.144 4.264 4.120 -0.001 0.000 0.258 171 V C 1.368 177.277 176.094 -0.309 0.000 1.065 171 V CA -0.071 61.966 62.300 -0.439 0.000 0.935 171 V CB -0.111 31.339 31.823 -0.621 0.000 1.061 171 V HN 0.876 nan 8.190 nan 0.000 0.484 172 L N 3.051 124.123 121.223 -0.251 0.000 2.376 172 L HA 0.207 4.547 4.340 -0.001 0.000 0.219 172 L C 0.887 177.674 176.870 -0.137 0.000 1.133 172 L CA 1.019 55.765 54.840 -0.157 0.000 0.816 172 L CB 0.031 42.023 42.059 -0.112 0.000 0.933 172 L HN 0.674 nan 8.230 nan 0.000 0.449 173 E N -0.979 119.114 120.200 -0.178 0.000 2.584 173 E HA 0.104 4.453 4.350 -0.001 0.000 0.295 173 E C -1.298 175.228 176.600 -0.124 0.000 1.109 173 E CA -0.357 55.973 56.400 -0.116 0.000 0.900 173 E CB 1.242 30.904 29.700 -0.063 0.000 1.195 173 E HN -0.001 nan 8.360 nan 0.000 0.433 174 E N 4.092 124.247 120.200 -0.076 0.000 2.149 174 E HA 0.389 4.739 4.350 -0.001 0.000 0.255 174 E C -1.087 175.423 176.600 -0.150 0.000 0.888 174 E CA -0.396 55.971 56.400 -0.054 0.000 0.742 174 E CB 0.755 30.494 29.700 0.064 0.000 1.164 174 E HN 0.341 nan 8.360 nan 0.000 0.422 175 I N 3.812 124.235 120.570 -0.245 0.000 2.412 175 I HA 0.308 4.478 4.170 -0.001 0.000 0.296 175 I C -0.950 174.892 176.117 -0.457 0.000 0.987 175 I CA -0.806 60.367 61.300 -0.211 0.000 1.180 175 I CB 0.975 38.925 38.000 -0.084 0.000 1.340 175 I HN 0.449 nan 8.210 nan 0.000 0.455 176 Y N 5.946 126.287 120.300 0.067 0.000 2.376 176 Y HA 0.624 5.173 4.550 -0.001 0.000 0.340 176 Y C 0.070 176.012 175.900 0.070 0.000 0.965 176 Y CA -0.905 57.234 58.100 0.066 0.000 1.078 176 Y CB 1.621 40.116 38.460 0.058 0.000 1.193 176 Y HN 0.339 nan 8.280 nan 0.000 0.452 177 I N 1.313 122.012 120.570 0.215 0.000 2.693 177 I HA 0.764 4.934 4.170 -0.001 0.000 0.303 177 I C -2.860 173.371 176.117 0.189 0.000 1.025 177 I CA -3.014 58.387 61.300 0.168 0.000 1.086 177 I CB 2.109 40.185 38.000 0.128 0.000 1.268 177 I HN 0.247 nan 8.210 nan 0.000 0.440 178 P HA 0.210 nan 4.420 nan 0.000 0.272 178 P C -0.464 176.940 177.300 0.175 0.000 1.230 178 P CA -0.284 62.915 63.100 0.165 0.000 0.788 178 P CB 0.526 32.313 31.700 0.145 0.000 0.949 179 L N 2.130 123.458 121.223 0.175 0.000 2.525 179 L HA -0.036 4.303 4.340 -0.001 0.000 0.278 179 L C 0.174 177.163 176.870 0.198 0.000 1.218 179 L CA 0.224 55.145 54.840 0.135 0.000 0.878 179 L CB -0.807 41.313 42.059 0.101 0.000 1.127 179 L HN 0.419 nan 8.230 nan 0.000 0.492 180 Y N 1.446 121.800 120.300 0.091 0.000 3.018 180 Y HA -0.156 4.393 4.550 -0.001 0.000 0.181 180 Y C -1.865 174.080 175.900 0.074 0.000 1.542 180 Y CA -0.747 57.398 58.100 0.074 0.000 0.975 180 Y CB -1.853 36.644 38.460 0.062 0.000 1.379 180 Y HN 0.426 nan 8.280 nan 0.000 0.423 181 P HA 0.212 nan 4.420 nan 0.000 0.271 181 P C 0.190 177.575 177.300 0.143 0.000 1.218 181 P CA 0.090 63.286 63.100 0.160 0.000 0.780 181 P CB 1.296 33.074 31.700 0.130 0.000 0.901 182 S N 0.791 116.556 115.700 0.109 0.000 2.632 182 S HA 0.111 4.580 4.470 -0.001 0.000 0.267 182 S C 0.958 175.604 174.600 0.076 0.000 1.276 182 S CA -0.440 57.810 58.200 0.083 0.000 0.998 182 S CB 0.347 63.586 63.200 0.064 0.000 0.953 182 S HN 0.425 nan 8.310 nan 0.000 0.547 183 D N 1.206 121.643 120.400 0.063 0.000 2.178 183 D HA -0.131 4.509 4.640 -0.001 0.000 0.201 183 D C 0.999 177.328 176.300 0.048 0.000 0.980 183 D CA 1.635 55.668 54.000 0.055 0.000 0.842 183 D CB -0.399 40.428 40.800 0.045 0.000 0.948 183 D HN 0.669 nan 8.370 nan 0.000 0.472 184 D N 1.535 121.962 120.400 0.045 0.000 2.104 184 D HA -0.150 4.490 4.640 -0.001 0.000 0.194 184 D C 1.638 177.967 176.300 0.047 0.000 0.994 184 D CA 0.901 54.925 54.000 0.040 0.000 0.830 184 D CB -0.404 40.419 40.800 0.037 0.000 0.959 184 D HN 0.120 nan 8.370 nan 0.000 0.452 185 D N 0.054 120.489 120.400 0.058 0.000 2.106 185 D HA -0.127 4.513 4.640 -0.001 0.000 0.191 185 D C 2.112 178.452 176.300 0.066 0.000 0.997 185 D CA 0.569 54.609 54.000 0.067 0.000 0.834 185 D CB -0.292 40.558 40.800 0.084 0.000 0.956 185 D HN 0.064 nan 8.370 nan 0.000 0.448 186 L N 0.757 122.021 121.223 0.069 0.000 2.012 186 L HA -0.174 4.165 4.340 -0.001 0.000 0.210 186 L C 2.442 179.345 176.870 0.055 0.000 1.073 186 L CA 1.505 56.386 54.840 0.069 0.000 0.748 186 L CB -1.173 40.931 42.059 0.075 0.000 0.891 186 L HN -0.017 nan 8.230 nan 0.000 0.431 187 Q N -0.655 119.172 119.800 0.044 0.000 2.050 187 Q HA -0.163 4.177 4.340 -0.001 0.000 0.202 187 Q C 2.410 178.427 176.000 0.028 0.000 0.980 187 Q CA 1.630 57.451 55.803 0.030 0.000 0.840 187 Q CB -0.046 28.705 28.738 0.020 0.000 0.898 187 Q HN 0.342 nan 8.270 nan 0.000 0.424 188 R N -0.772 119.749 120.500 0.034 0.000 2.096 188 R HA -0.063 4.277 4.340 -0.001 0.000 0.235 188 R C 2.209 178.532 176.300 0.039 0.000 1.127 188 R CA 1.070 57.191 56.100 0.034 0.000 0.968 188 R CB -0.437 29.886 30.300 0.037 0.000 0.861 188 R HN 0.267 nan 8.270 nan 0.000 0.440 189 A N 0.792 123.640 122.820 0.046 0.000 1.877 189 A HA -0.122 4.197 4.320 -0.001 0.000 0.216 189 A C 2.365 179.979 177.584 0.049 0.000 1.186 189 A CA 1.449 53.514 52.037 0.045 0.000 0.620 189 A CB -0.624 18.405 19.000 0.048 0.000 0.822 189 A HN 0.113 nan 8.150 nan 0.000 0.443 190 V N 0.194 120.140 119.914 0.053 0.000 2.392 190 V HA -0.258 3.861 4.120 -0.001 0.000 0.249 190 V C 2.624 178.759 176.094 0.069 0.000 1.059 190 V CA 2.488 64.826 62.300 0.064 0.000 1.051 190 V CB -0.747 31.107 31.823 0.052 0.000 0.658 190 V HN 0.731 nan 8.190 nan 0.000 0.455 191 E N 0.657 120.883 120.200 0.044 0.000 2.051 191 E HA -0.193 4.156 4.350 -0.001 0.000 0.192 191 E C 2.363 179.015 176.600 0.087 0.000 0.991 191 E CA 1.479 57.909 56.400 0.049 0.000 0.799 191 E CB -0.245 29.468 29.700 0.022 0.000 0.748 191 E HN 0.474 nan 8.360 nan 0.000 0.449 192 R N 0.003 120.539 120.500 0.060 0.000 2.081 192 R HA -0.082 4.258 4.340 -0.001 0.000 0.235 192 R C 2.619 178.952 176.300 0.055 0.000 1.131 192 R CA 1.473 57.602 56.100 0.048 0.000 0.960 192 R CB -0.611 29.707 30.300 0.031 0.000 0.856 192 R HN 0.305 nan 8.270 nan 0.000 0.436 193 I N -0.045 120.570 120.570 0.075 0.000 2.163 193 I HA -0.351 3.818 4.170 -0.001 0.000 0.243 193 I C 2.426 178.623 176.117 0.133 0.000 1.085 193 I CA 1.567 62.925 61.300 0.096 0.000 1.347 193 I CB -0.345 37.725 38.000 0.117 0.000 1.044 193 I HN 0.122 nan 8.210 nan 0.000 0.408 194 Y N 1.504 121.801 120.300 -0.004 0.000 2.163 194 Y HA -0.272 4.278 4.550 -0.001 0.000 0.288 194 Y C 2.669 178.526 175.900 -0.071 0.000 1.136 194 Y CA 1.493 59.527 58.100 -0.111 0.000 1.147 194 Y CB -0.143 38.137 38.460 -0.299 0.000 0.987 194 Y HN 0.165 nan 8.280 nan 0.000 0.509 195 Q N 0.054 119.849 119.800 -0.009 0.000 2.226 195 Q HA -0.139 4.201 4.340 -0.001 0.000 0.204 195 Q C 2.439 178.376 176.000 -0.104 0.000 0.975 195 Q CA 1.257 57.014 55.803 -0.078 0.000 0.866 195 Q CB -0.740 28.005 28.738 0.010 0.000 0.915 195 Q HN 0.631 nan 8.270 nan 0.000 0.440 196 A N 0.800 123.582 122.820 -0.063 0.000 2.067 196 A HA -0.080 4.239 4.320 -0.001 0.000 0.219 196 A C 0.596 178.140 177.584 -0.067 0.000 1.158 196 A CA 0.462 52.467 52.037 -0.054 0.000 0.661 196 A CB -0.148 18.833 19.000 -0.031 0.000 0.801 196 A HN 0.280 nan 8.150 nan 0.000 0.452 197 R N -1.928 118.519 120.500 -0.088 0.000 3.146 197 R HA -0.152 4.187 4.340 -0.001 0.000 0.250 197 R C 0.042 176.329 176.300 -0.022 0.000 0.912 197 R CA 0.731 56.791 56.100 -0.067 0.000 0.633 197 R CB -2.393 27.851 30.300 -0.095 0.000 1.180 197 R HN 0.809 nan 8.270 nan 0.000 0.464 198 A N 0.032 122.853 122.820 0.003 0.000 2.271 198 A HA 0.405 4.724 4.320 -0.001 0.000 0.288 198 A C 0.880 178.467 177.584 0.005 0.000 1.094 198 A CA -0.327 51.707 52.037 -0.005 0.000 0.828 198 A CB 0.501 19.494 19.000 -0.010 0.000 1.091 198 A HN 0.360 nan 8.150 nan 0.000 0.493 199 D N -0.866 119.545 120.400 0.018 0.000 2.213 199 D HA 0.079 4.718 4.640 -0.001 0.000 0.205 199 D C 0.601 176.926 176.300 0.043 0.000 0.961 199 D CA 1.802 55.830 54.000 0.047 0.000 0.853 199 D CB 0.064 40.917 40.800 0.088 0.000 0.967 199 D HN 0.485 nan 8.370 nan 0.000 0.496 200 V N -1.696 118.231 119.914 0.021 0.000 2.888 200 V HA 0.528 4.648 4.120 -0.001 0.000 0.309 200 V C -0.504 175.588 176.094 -0.005 0.000 1.114 200 V CA -1.068 61.220 62.300 -0.020 0.000 0.940 200 V CB 2.518 34.319 31.823 -0.037 0.000 1.021 200 V HN -0.269 nan 8.190 nan 0.000 0.426 201 V N 4.725 124.624 119.914 -0.025 0.000 2.370 201 V HA 0.437 4.556 4.120 -0.001 0.000 0.279 201 V C -0.504 175.631 176.094 0.069 0.000 1.029 201 V CA -0.167 62.134 62.300 0.003 0.000 0.870 201 V CB 1.214 32.994 31.823 -0.070 0.000 0.984 201 V HN 0.829 nan 8.190 nan 0.000 0.451 202 F N 5.362 125.298 119.950 -0.022 0.000 2.334 202 F HA 0.570 5.097 4.527 -0.001 0.000 0.367 202 F C 0.360 176.103 175.800 -0.095 0.000 1.115 202 F CA -0.233 57.727 58.000 -0.068 0.000 1.116 202 F CB 1.266 40.192 39.000 -0.123 0.000 1.230 202 F HN 0.426 nan 8.300 nan 0.000 0.484 203 S N 3.532 118.910 115.700 -0.537 0.000 2.462 203 S HA 0.488 4.958 4.470 -0.001 0.000 0.294 203 S C 0.380 174.639 174.600 -0.568 0.000 1.144 203 S CA -0.113 57.823 58.200 -0.439 0.000 1.088 203 S CB 0.699 63.823 63.200 -0.126 0.000 1.009 203 S HN 0.770 nan 8.310 nan 0.000 0.484 204 T N 1.273 115.575 114.554 -0.420 0.000 3.296 204 T HA 0.308 4.658 4.350 -0.001 0.000 0.285 204 T C -0.037 174.677 174.700 0.024 0.000 1.014 204 T CA -0.335 61.639 62.100 -0.210 0.000 0.920 204 T CB -0.237 68.471 68.868 -0.267 0.000 1.143 204 T HN 0.328 nan 8.240 nan 0.000 0.522 205 V N 2.097 122.042 119.914 0.052 0.000 2.555 205 V HA 0.350 4.470 4.120 -0.001 0.000 0.286 205 V C 0.168 176.372 176.094 0.182 0.000 1.044 205 V CA -0.349 62.033 62.300 0.136 0.000 1.026 205 V CB 1.155 33.058 31.823 0.134 0.000 0.981 205 V HN 0.408 nan 8.190 nan 0.000 0.480 206 V N 5.050 125.097 119.914 0.222 0.000 2.495 206 V HA 0.892 5.012 4.120 -0.001 0.000 0.298 206 V C 0.709 176.881 176.094 0.129 0.000 1.031 206 V CA 0.569 63.010 62.300 0.234 0.000 0.871 206 V CB 0.852 32.898 31.823 0.372 0.000 0.988 206 V HN 1.292 nan 8.190 nan 0.000 0.432 207 G N 4.700 113.552 108.800 0.087 0.000 2.553 207 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.242 207 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.242 207 G C 0.068 174.935 174.900 -0.054 0.000 1.277 207 G CA -0.214 44.879 45.100 -0.012 0.000 0.910 207 G HN 0.851 nan 8.290 nan 0.000 0.576 208 T N 1.369 115.829 114.554 -0.156 0.000 2.871 208 T HA 0.459 4.809 4.350 -0.001 0.000 0.296 208 T C 1.618 176.286 174.700 -0.054 0.000 0.998 208 T CA 2.183 64.211 62.100 -0.120 0.000 1.162 208 T CB 0.556 69.317 68.868 -0.177 0.000 0.947 208 T HN 2.522 nan 8.240 nan 0.000 0.536 209 G N 2.914 111.728 108.800 0.023 0.000 2.238 209 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.217 209 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.217 209 G C 1.186 176.132 174.900 0.078 0.000 0.996 209 G CA 0.280 45.420 45.100 0.067 0.000 0.632 209 G HN 0.686 nan 8.290 nan 0.000 0.503 210 T N 1.459 116.046 114.554 0.055 0.000 2.684 210 T HA 0.106 4.455 4.350 -0.001 0.000 0.267 210 T C 2.779 177.493 174.700 0.023 0.000 1.036 210 T CA 2.736 64.872 62.100 0.061 0.000 1.148 210 T CB -0.525 68.335 68.868 -0.012 0.000 0.863 210 T HN 1.210 nan 8.240 nan 0.000 0.436 211 A N 1.662 124.466 122.820 -0.026 0.000 1.883 211 A HA -0.172 4.147 4.320 -0.001 0.000 0.217 211 A C 2.229 179.857 177.584 0.074 0.000 1.186 211 A CA 1.952 53.973 52.037 -0.025 0.000 0.624 211 A CB -0.679 18.314 19.000 -0.011 0.000 0.822 211 A HN 0.481 nan 8.150 nan 0.000 0.444 212 E N -0.474 119.775 120.200 0.082 0.000 2.077 212 E HA -0.165 4.184 4.350 -0.001 0.000 0.193 212 E C 1.878 178.556 176.600 0.130 0.000 0.989 212 E CA 1.148 57.606 56.400 0.097 0.000 0.800 212 E CB -0.404 29.347 29.700 0.084 0.000 0.746 212 E HN 0.533 nan 8.360 nan 0.000 0.452 213 L N -0.233 121.088 121.223 0.163 0.000 1.989 213 L HA -0.215 4.124 4.340 -0.001 0.000 0.211 213 L C 1.846 178.851 176.870 0.224 0.000 1.071 213 L CA 1.848 56.798 54.840 0.184 0.000 0.749 213 L CB -0.667 41.523 42.059 0.218 0.000 0.890 213 L HN 0.128 nan 8.230 nan 0.000 0.431 214 Y N -0.056 120.274 120.300 0.050 0.000 2.224 214 Y HA -0.170 4.380 4.550 -0.001 0.000 0.289 214 Y C 2.929 178.858 175.900 0.048 0.000 1.146 214 Y CA 1.697 59.824 58.100 0.046 0.000 1.182 214 Y CB -0.576 37.907 38.460 0.039 0.000 0.983 214 Y HN 0.256 nan 8.280 nan 0.000 0.524 215 R N 0.046 120.670 120.500 0.206 0.000 2.073 215 R HA -0.105 4.235 4.340 -0.001 0.000 0.229 215 R C 2.295 178.658 176.300 0.104 0.000 1.120 215 R CA 1.156 57.334 56.100 0.129 0.000 0.967 215 R CB -0.344 30.015 30.300 0.098 0.000 0.862 215 R HN 0.279 nan 8.270 nan 0.000 0.436 216 A N 0.864 123.746 122.820 0.103 0.000 1.969 216 A HA -0.075 4.244 4.320 -0.001 0.000 0.218 216 A C 2.090 179.729 177.584 0.092 0.000 1.169 216 A CA 0.961 53.046 52.037 0.079 0.000 0.635 216 A CB -0.333 18.709 19.000 0.071 0.000 0.810 216 A HN 0.326 nan 8.150 nan 0.000 0.445 217 I N -0.387 120.250 120.570 0.111 0.000 2.202 217 I HA -0.241 3.928 4.170 -0.001 0.000 0.242 217 I C 2.990 179.233 176.117 0.210 0.000 1.091 217 I CA 0.960 62.354 61.300 0.157 0.000 1.368 217 I CB -0.348 37.699 38.000 0.079 0.000 1.058 217 I HN 0.345 nan 8.210 nan 0.000 0.410 218 A N 0.841 123.739 122.820 0.130 0.000 1.883 218 A HA -0.211 4.108 4.320 -0.001 0.000 0.217 218 A C 2.260 179.924 177.584 0.133 0.000 1.186 218 A CA 1.617 53.724 52.037 0.116 0.000 0.624 218 A CB -0.404 18.646 19.000 0.084 0.000 0.822 218 A HN 0.246 nan 8.150 nan 0.000 0.444 219 R N -0.954 119.604 120.500 0.097 0.000 2.153 219 R HA 0.030 4.370 4.340 -0.001 0.000 0.218 219 R C 2.026 178.340 176.300 0.023 0.000 1.072 219 R CA 1.234 57.369 56.100 0.058 0.000 0.990 219 R CB -0.937 29.384 30.300 0.036 0.000 0.889 219 R HN 0.542 nan 8.270 nan 0.000 0.452 220 R N -0.031 120.478 120.500 0.015 0.000 2.120 220 R HA -0.094 4.245 4.340 -0.001 0.000 0.234 220 R C 1.177 177.320 176.300 -0.262 0.000 1.123 220 R CA 1.484 57.490 56.100 -0.158 0.000 0.975 220 R CB -0.413 29.783 30.300 -0.173 0.000 0.866 220 R HN 0.239 nan 8.270 nan 0.000 0.446 221 Y N -0.830 119.451 120.300 -0.031 0.000 2.510 221 Y HA 0.280 4.829 4.550 -0.001 0.000 0.273 221 Y C 1.737 177.656 175.900 0.031 0.000 1.119 221 Y CA 0.575 58.712 58.100 0.061 0.000 1.286 221 Y CB 0.067 38.601 38.460 0.124 0.000 1.061 221 Y HN 0.308 nan 8.280 nan 0.000 0.542 222 G N 1.019 109.903 108.800 0.140 0.000 2.651 222 G HA2 -0.384 3.576 3.960 -0.001 0.000 0.315 222 G HA3 -0.384 3.576 3.960 -0.001 0.000 0.315 222 G C -0.431 174.534 174.900 0.107 0.000 1.258 222 G CA 0.483 45.635 45.100 0.086 0.000 1.002 222 G HN 0.391 nan 8.290 nan 0.000 0.551 223 D N 0.848 121.299 120.400 0.085 0.000 2.312 223 D HA 0.644 5.283 4.640 -0.001 0.000 0.248 223 D C 0.571 176.937 176.300 0.109 0.000 1.086 223 D CA 0.777 54.824 54.000 0.078 0.000 0.948 223 D CB 0.985 41.817 40.800 0.053 0.000 1.162 223 D HN 2.202 nan 8.370 nan 0.000 0.446 224 G N -0.080 108.777 108.800 0.096 0.000 2.697 224 G HA2 -0.010 3.949 3.960 -0.001 0.000 0.684 224 G HA3 -0.010 3.949 3.960 -0.001 0.000 0.684 224 G C -0.800 174.161 174.900 0.101 0.000 1.274 224 G CA -1.204 43.965 45.100 0.116 0.000 0.806 224 G HN 0.572 nan 8.290 nan 0.000 0.644 225 R N 0.610 121.151 120.500 0.069 0.000 2.502 225 R HA 0.214 4.554 4.340 -0.001 0.000 0.292 225 R C 1.151 177.418 176.300 -0.056 0.000 0.998 225 R CA 0.394 56.501 56.100 0.012 0.000 1.056 225 R CB 0.373 30.680 30.300 0.011 0.000 0.939 225 R HN 0.708 nan 8.270 nan 0.000 0.411 226 R N 3.886 124.265 120.500 -0.201 0.000 2.514 226 R HA 0.470 4.809 4.340 -0.001 0.000 0.301 226 R C -2.533 173.534 176.300 -0.388 0.000 0.962 226 R CA -2.068 53.662 56.100 -0.617 0.000 0.882 226 R CB 1.181 31.121 30.300 -0.601 0.000 1.143 226 R HN 0.281 nan 8.270 nan 0.000 0.452 227 P HA 0.176 nan 4.420 nan 0.000 0.271 227 P C -2.464 174.730 177.300 -0.176 0.000 1.216 227 P CA -1.282 61.703 63.100 -0.192 0.000 0.776 227 P CB 0.349 31.965 31.700 -0.140 0.000 0.881 228 P HA 0.278 nan 4.420 nan 0.000 0.274 228 P C -0.424 176.777 177.300 -0.165 0.000 1.231 228 P CA -0.123 62.909 63.100 -0.114 0.000 0.790 228 P CB 0.852 32.515 31.700 -0.061 0.000 0.951 229 I N 1.319 121.784 120.570 -0.174 0.000 2.321 229 I HA 0.428 4.598 4.170 -0.001 0.000 0.291 229 I C 0.478 176.544 176.117 -0.085 0.000 0.998 229 I CA -0.604 60.577 61.300 -0.199 0.000 1.227 229 I CB 1.298 39.017 38.000 -0.469 0.000 1.368 229 I HN 0.333 nan 8.210 nan 0.000 0.466 230 A N 4.842 127.647 122.820 -0.026 0.000 2.317 230 A HA 0.808 5.128 4.320 -0.001 0.000 0.327 230 A C -0.429 177.243 177.584 0.146 0.000 1.178 230 A CA -0.410 51.676 52.037 0.082 0.000 0.817 230 A CB 1.520 20.587 19.000 0.112 0.000 1.189 230 A HN 0.572 nan 8.150 nan 0.000 0.489 231 S N 1.361 117.164 115.700 0.173 0.000 2.546 231 S HA 0.546 5.015 4.470 -0.001 0.000 0.274 231 S C 0.178 174.904 174.600 0.210 0.000 1.121 231 S CA -0.572 57.697 58.200 0.114 0.000 0.887 231 S CB 1.151 64.457 63.200 0.178 0.000 1.094 231 S HN 0.653 nan 8.310 nan 0.000 0.474 232 L N 2.701 124.027 121.223 0.172 0.000 2.513 232 L HA 0.123 4.463 4.340 -0.001 0.000 0.222 232 L C 2.001 179.048 176.870 0.295 0.000 1.096 232 L CA 1.191 56.192 54.840 0.268 0.000 0.857 232 L CB -0.017 42.210 42.059 0.282 0.000 1.026 232 L HN 0.923 nan 8.230 nan 0.000 0.469 233 T N -6.051 108.650 114.554 0.246 0.000 3.026 233 T HA 0.046 4.396 4.350 -0.001 0.000 0.245 233 T C 0.969 175.844 174.700 0.292 0.000 1.004 233 T CA -0.082 62.187 62.100 0.282 0.000 1.069 233 T CB -0.287 68.730 68.868 0.248 0.000 1.005 233 T HN -0.045 nan 8.240 nan 0.000 0.472 234 T N 4.182 118.880 114.554 0.241 0.000 2.849 234 T HA 0.325 4.675 4.350 -0.001 0.000 0.289 234 T C 0.598 175.445 174.700 0.246 0.000 1.010 234 T CA 0.297 62.516 62.100 0.197 0.000 1.161 234 T CB 0.267 69.233 68.868 0.163 0.000 0.989 234 T HN 0.722 nan 8.240 nan 0.000 0.523 235 S N 2.388 118.209 115.700 0.202 0.000 2.776 235 S HA 0.405 4.875 4.470 -0.001 0.000 0.306 235 S C 1.075 175.752 174.600 0.128 0.000 1.114 235 S CA -1.028 57.273 58.200 0.169 0.000 0.973 235 S CB 1.182 64.472 63.200 0.150 0.000 1.250 235 S HN 0.657 nan 8.310 nan 0.000 0.549 236 E N 0.214 120.411 120.200 -0.004 0.000 2.150 236 E HA -0.069 4.281 4.350 -0.001 0.000 0.193 236 E C 2.191 178.825 176.600 0.057 0.000 0.985 236 E CA 1.030 57.409 56.400 -0.034 0.000 0.814 236 E CB -0.413 29.134 29.700 -0.254 0.000 0.752 236 E HN 0.706 nan 8.360 nan 0.000 0.466 237 A N 1.143 123.985 122.820 0.037 0.000 1.969 237 A HA -0.200 4.119 4.320 -0.001 0.000 0.218 237 A C 1.836 179.441 177.584 0.035 0.000 1.169 237 A CA 1.373 53.434 52.037 0.038 0.000 0.635 237 A CB -0.192 18.825 19.000 0.028 0.000 0.810 237 A HN 0.054 nan 8.150 nan 0.000 0.445 238 E N -0.516 119.703 120.200 0.032 0.000 2.112 238 E HA -0.028 4.321 4.350 -0.001 0.000 0.190 238 E C 1.936 178.521 176.600 -0.025 0.000 0.979 238 E CA 0.962 57.354 56.400 -0.013 0.000 0.814 238 E CB -0.391 29.277 29.700 -0.053 0.000 0.762 238 E HN 0.298 nan 8.360 nan 0.000 0.460 239 V N 1.028 120.967 119.914 0.042 0.000 2.407 239 V HA -0.236 3.883 4.120 -0.001 0.000 0.248 239 V C 2.157 178.295 176.094 0.073 0.000 1.055 239 V CA 1.725 64.068 62.300 0.071 0.000 1.049 239 V CB -0.758 31.230 31.823 0.275 0.000 0.662 239 V HN 0.327 nan 8.190 nan 0.000 0.455 240 A N -0.297 122.576 122.820 0.088 0.000 2.070 240 A HA -0.180 4.140 4.320 -0.001 0.000 0.220 240 A C 2.143 179.748 177.584 0.035 0.000 1.159 240 A CA 1.394 53.471 52.037 0.066 0.000 0.656 240 A CB -0.346 18.691 19.000 0.062 0.000 0.800 240 A HN 0.582 nan 8.150 nan 0.000 0.453 241 K N -0.971 119.441 120.400 0.020 0.000 2.487 241 K HA 0.190 4.509 4.320 -0.001 0.000 0.192 241 K C 0.078 176.684 176.600 0.010 0.000 1.027 241 K CA 0.115 56.410 56.287 0.013 0.000 1.054 241 K CB -0.003 32.502 32.500 0.008 0.000 0.824 241 K HN 0.507 nan 8.250 nan 0.000 0.510 242 M N 1.698 121.301 119.600 0.005 0.000 2.409 242 M HA 0.093 4.573 4.480 -0.001 0.000 0.329 242 M C 0.151 176.463 176.300 0.019 0.000 1.180 242 M CA -0.492 54.815 55.300 0.010 0.000 1.053 242 M CB 1.259 33.856 32.600 -0.004 0.000 1.586 242 M HN 0.052 nan 8.290 nan 0.000 0.461 243 E N 0.639 120.855 120.200 0.027 0.000 2.366 243 E HA 0.201 4.550 4.350 -0.001 0.000 0.266 243 E C 0.074 176.685 176.600 0.018 0.000 1.051 243 E CA -0.489 55.924 56.400 0.022 0.000 0.884 243 E CB 0.929 30.644 29.700 0.025 0.000 1.006 243 E HN 0.595 nan 8.360 nan 0.000 0.417 244 S N 1.738 117.444 115.700 0.009 0.000 2.381 244 S HA -0.237 4.232 4.470 -0.001 0.000 0.230 244 S C 1.393 175.993 174.600 -0.001 0.000 1.052 244 S CA 2.086 60.285 58.200 -0.002 0.000 1.068 244 S CB -0.387 62.810 63.200 -0.004 0.000 0.918 244 S HN 0.826 nan 8.310 nan 0.000 0.448 245 D N 0.104 120.510 120.400 0.010 0.000 2.317 245 D HA -0.016 4.624 4.640 -0.001 0.000 0.211 245 D C 1.766 178.081 176.300 0.026 0.000 0.966 245 D CA 0.549 54.557 54.000 0.013 0.000 0.876 245 D CB -0.229 40.580 40.800 0.015 0.000 0.927 245 D HN 0.347 nan 8.370 nan 0.000 0.519 246 V N 1.403 121.341 119.914 0.040 0.000 2.488 246 V HA -0.071 4.048 4.120 -0.001 0.000 0.246 246 V C 2.796 178.946 176.094 0.094 0.000 1.046 246 V CA 1.606 63.950 62.300 0.073 0.000 1.053 246 V CB -0.331 31.547 31.823 0.090 0.000 0.679 246 V HN 0.352 nan 8.190 nan 0.000 0.458 247 A N -0.563 122.293 122.820 0.059 0.000 2.067 247 A HA -0.056 4.264 4.320 -0.001 0.000 0.217 247 A C 1.314 178.894 177.584 -0.006 0.000 1.156 247 A CA 0.239 52.301 52.037 0.042 0.000 0.683 247 A CB -0.296 18.689 19.000 -0.025 0.000 0.808 247 A HN 0.600 nan 8.150 nan 0.000 0.455 248 E N -0.640 119.550 120.200 -0.017 0.000 2.452 248 E HA 0.279 4.628 4.350 -0.001 0.000 0.261 248 E C 1.200 177.786 176.600 -0.023 0.000 0.987 248 E CA 0.698 57.075 56.400 -0.037 0.000 0.926 248 E CB -0.032 29.654 29.700 -0.023 0.000 0.934 248 E HN 0.694 nan 8.360 nan 0.000 0.452 249 G N 3.203 111.984 108.800 -0.032 0.000 2.234 249 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.260 249 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.260 249 G C -0.022 174.885 174.900 0.011 0.000 0.987 249 G CA 0.325 45.426 45.100 0.002 0.000 0.625 249 G HN 0.544 nan 8.290 nan 0.000 0.532 250 Q N 0.162 119.962 119.800 -0.000 0.000 2.340 250 Q HA 0.594 4.934 4.340 -0.001 0.000 0.249 250 Q C 0.153 176.164 176.000 0.019 0.000 0.957 250 Q CA -0.270 55.553 55.803 0.035 0.000 0.882 250 Q CB 2.059 30.889 28.738 0.153 0.000 1.235 250 Q HN 0.326 nan 8.270 nan 0.000 0.439 251 V N 2.295 122.240 119.914 0.050 0.000 2.459 251 V HA 0.548 4.668 4.120 -0.001 0.000 0.295 251 V C 0.024 176.196 176.094 0.129 0.000 1.029 251 V CA -0.685 61.649 62.300 0.057 0.000 0.874 251 V CB 1.750 33.609 31.823 0.061 0.000 0.985 251 V HN 0.627 nan 8.190 nan 0.000 0.438 252 V N 3.107 123.115 119.914 0.158 0.000 3.040 252 V HA 0.884 5.004 4.120 -0.001 0.000 0.312 252 V C -0.808 175.517 176.094 0.384 0.000 1.115 252 V CA -0.929 61.557 62.300 0.309 0.000 0.998 252 V CB 2.020 34.119 31.823 0.460 0.000 1.042 252 V HN 0.605 nan 8.190 nan 0.000 0.433 253 V N 1.231 121.399 119.914 0.422 0.000 2.735 253 V HA 1.046 5.165 4.120 -0.001 0.000 0.310 253 V C -0.124 176.131 176.094 0.269 0.000 1.061 253 V CA 0.399 62.921 62.300 0.369 0.000 0.913 253 V CB 1.515 33.480 31.823 0.238 0.000 1.005 253 V HN 2.266 nan 8.190 nan 0.000 0.428 254 A N 5.635 128.505 122.820 0.083 0.000 2.569 254 A HA 0.714 5.033 4.320 -0.001 0.000 0.292 254 A C -2.959 174.500 177.584 -0.208 0.000 1.032 254 A CA -0.411 51.490 52.037 -0.226 0.000 0.669 254 A CB 0.986 19.473 19.000 -0.856 0.000 1.290 254 A HN 0.508 nan 8.150 nan 0.000 0.422 255 P HA 0.024 nan 4.420 nan 0.000 0.221 255 P C -0.194 177.043 177.300 -0.105 0.000 1.150 255 P CA 1.413 64.483 63.100 -0.051 0.000 0.800 255 P CB 0.072 31.805 31.700 0.054 0.000 0.787 256 Y N -0.855 119.162 120.300 -0.470 0.000 2.492 256 Y HA 0.582 5.132 4.550 -0.001 0.000 0.346 256 Y C -1.396 174.074 175.900 -0.718 0.000 0.997 256 Y CA -1.562 56.279 58.100 -0.431 0.000 1.025 256 Y CB 1.111 39.359 38.460 -0.353 0.000 1.263 256 Y HN -0.336 nan 8.280 nan 0.000 0.454 257 F N 2.263 121.576 119.950 -1.062 0.000 2.576 257 F HA 0.284 4.810 4.527 -0.001 0.000 0.313 257 F C 1.081 176.191 175.800 -1.150 0.000 1.078 257 F CA -0.541 56.944 58.000 -0.858 0.000 0.921 257 F CB 2.430 41.168 39.000 -0.437 0.000 1.232 257 F HN 0.521 nan 8.300 nan 0.000 0.459 258 S N -1.084 114.337 115.700 -0.465 0.000 2.507 258 S HA -0.126 4.343 4.470 -0.001 0.000 0.235 258 S C 1.451 175.979 174.600 -0.119 0.000 0.988 258 S CA 0.968 59.039 58.200 -0.215 0.000 0.944 258 S CB -0.652 62.501 63.200 -0.077 0.000 0.762 258 S HN 0.619 nan 8.310 nan 0.000 0.526 259 S N 0.789 116.434 115.700 -0.092 0.000 2.593 259 S HA 0.300 4.769 4.470 -0.001 0.000 0.217 259 S C 0.581 175.157 174.600 -0.040 0.000 0.966 259 S CA -0.557 57.629 58.200 -0.022 0.000 0.914 259 S CB -0.794 62.421 63.200 0.025 0.000 0.776 259 S HN 0.530 nan 8.310 nan 0.000 0.523 260 I N 2.979 123.491 120.570 -0.097 0.000 2.775 260 I HA 0.004 4.173 4.170 -0.001 0.000 0.290 260 I C 0.254 176.371 176.117 -0.001 0.000 1.203 260 I CA 0.331 61.600 61.300 -0.052 0.000 1.433 260 I CB 0.269 38.226 38.000 -0.071 0.000 1.354 260 I HN 0.111 nan 8.210 nan 0.000 0.579 261 D N 6.133 126.535 120.400 0.004 0.000 2.514 261 D HA 0.192 4.831 4.640 -0.001 0.000 0.267 261 D C -0.455 175.854 176.300 0.016 0.000 1.165 261 D CA -0.290 53.718 54.000 0.013 0.000 0.958 261 D CB 0.280 41.084 40.800 0.006 0.000 0.992 261 D HN 0.599 nan 8.370 nan 0.000 0.506 262 T N -0.638 113.934 114.554 0.029 0.000 2.906 262 T HA 0.517 4.866 4.350 -0.001 0.000 0.295 262 T C -2.038 172.682 174.700 0.034 0.000 1.075 262 T CA -1.770 60.346 62.100 0.027 0.000 1.005 262 T CB 1.990 70.875 68.868 0.028 0.000 1.136 262 T HN -0.225 nan 8.240 nan 0.000 0.498 263 P HA -0.018 nan 4.420 nan 0.000 0.215 263 P C 1.654 178.976 177.300 0.036 0.000 1.153 263 P CA 1.527 64.642 63.100 0.026 0.000 0.853 263 P CB -0.321 31.390 31.700 0.019 0.000 0.788 264 A N -0.459 122.383 122.820 0.037 0.000 1.930 264 A HA -0.167 4.153 4.320 -0.001 0.000 0.217 264 A C 2.553 180.179 177.584 0.069 0.000 1.175 264 A CA 2.143 54.205 52.037 0.042 0.000 0.627 264 A CB -1.578 17.435 19.000 0.022 0.000 0.815 264 A HN 0.255 nan 8.150 nan 0.000 0.443 265 S N -0.794 114.968 115.700 0.103 0.000 2.383 265 S HA -0.141 4.329 4.470 -0.001 0.000 0.227 265 S C 2.144 176.838 174.600 0.158 0.000 1.026 265 S CA 1.125 59.447 58.200 0.203 0.000 0.981 265 S CB -0.295 63.045 63.200 0.234 0.000 0.818 265 S HN 0.517 nan 8.310 nan 0.000 0.472 266 R N 1.410 121.958 120.500 0.080 0.000 2.115 266 R HA 0.244 4.584 4.340 -0.001 0.000 0.226 266 R C 2.491 178.798 176.300 0.011 0.000 1.100 266 R CA 1.164 57.285 56.100 0.035 0.000 0.980 266 R CB -1.711 28.603 30.300 0.023 0.000 0.875 266 R HN 0.512 nan 8.270 nan 0.000 0.445 267 A N 0.865 123.703 122.820 0.030 0.000 1.902 267 A HA -0.167 4.152 4.320 -0.001 0.000 0.217 267 A C 2.036 179.613 177.584 -0.010 0.000 1.181 267 A CA 1.175 53.221 52.037 0.015 0.000 0.623 267 A CB -0.666 18.356 19.000 0.037 0.000 0.818 267 A HN 0.261 nan 8.150 nan 0.000 0.443 268 F N 0.935 120.774 119.950 -0.185 0.000 2.075 268 F HA -0.158 4.369 4.527 -0.001 0.000 0.297 268 F C 2.297 177.883 175.800 -0.357 0.000 1.113 268 F CA 1.859 59.652 58.000 -0.345 0.000 1.218 268 F CB -0.621 38.123 39.000 -0.426 0.000 0.984 268 F HN 0.024 nan 8.300 nan 0.000 0.472 269 V N 0.866 120.586 119.914 -0.323 0.000 2.282 269 V HA -0.386 3.733 4.120 -0.001 0.000 0.249 269 V C 2.379 178.101 176.094 -0.620 0.000 1.057 269 V CA 2.485 64.447 62.300 -0.563 0.000 1.032 269 V CB -0.989 30.646 31.823 -0.314 0.000 0.645 269 V HN 0.455 nan 8.190 nan 0.000 0.447 270 Q N -0.402 119.212 119.800 -0.309 0.000 2.119 270 Q HA -0.114 4.225 4.340 -0.001 0.000 0.201 270 Q C 2.431 178.323 176.000 -0.180 0.000 0.972 270 Q CA 1.565 57.267 55.803 -0.168 0.000 0.847 270 Q CB -0.375 28.325 28.738 -0.064 0.000 0.903 270 Q HN 0.688 nan 8.270 nan 0.000 0.433 271 A N 0.622 123.299 122.820 -0.239 0.000 1.898 271 A HA -0.169 4.150 4.320 -0.001 0.000 0.216 271 A C 2.364 179.782 177.584 -0.277 0.000 1.181 271 A CA 1.210 53.129 52.037 -0.197 0.000 0.620 271 A CB -0.880 18.007 19.000 -0.189 0.000 0.819 271 A HN 0.470 nan 8.150 nan 0.000 0.442 272 C N -1.248 117.663 119.300 -0.649 0.000 2.432 272 C HA -0.093 4.367 4.460 -0.001 0.000 0.277 272 C C 2.520 177.238 174.990 -0.454 0.000 1.249 272 C CA 1.105 59.578 59.018 -0.909 0.000 1.725 272 C CB -1.836 24.844 27.740 -1.766 0.000 2.028 272 C HN 0.738 nan 8.230 nan 0.000 0.477 273 H N -0.148 118.712 119.070 -0.351 0.000 2.387 273 H HA -0.057 4.499 4.556 -0.001 0.000 0.299 273 H C 2.441 177.721 175.328 -0.079 0.000 1.090 273 H CA 1.090 57.024 56.048 -0.190 0.000 1.332 273 H CB -0.229 29.440 29.762 -0.156 0.000 1.386 273 H HN 0.564 nan 8.280 nan 0.000 0.516 274 G N -1.288 107.559 108.800 0.078 0.000 2.744 274 G HA2 -0.155 3.804 3.960 -0.001 0.000 0.211 274 G HA3 -0.155 3.804 3.960 -0.001 0.000 0.211 274 G C 1.048 176.055 174.900 0.179 0.000 1.143 274 G CA 0.154 45.313 45.100 0.099 0.000 0.788 274 G HN 0.363 nan 8.290 nan 0.000 0.534 275 F N -0.570 119.415 119.950 0.058 0.000 2.711 275 F HA 0.511 5.037 4.527 -0.001 0.000 0.296 275 F C 0.038 175.944 175.800 0.176 0.000 1.096 275 F CA -1.217 56.865 58.000 0.137 0.000 1.280 275 F CB 0.662 39.785 39.000 0.204 0.000 1.060 275 F HN -0.144 nan 8.300 nan 0.000 0.608 276 F N 3.931 123.856 119.950 -0.041 0.000 2.429 276 F HA 0.328 4.854 4.527 -0.001 0.000 0.348 276 F C -1.584 174.004 175.800 -0.353 0.000 1.109 276 F CA -3.388 54.436 58.000 -0.295 0.000 1.232 276 F CB -0.502 38.376 39.000 -0.203 0.000 1.157 276 F HN -0.098 nan 8.300 nan 0.000 0.564 277 P HA 0.074 nan 4.420 nan 0.000 0.272 277 P C 0.071 177.280 177.300 -0.153 0.000 1.240 277 P CA -0.233 62.702 63.100 -0.275 0.000 0.791 277 P CB 0.739 32.225 31.700 -0.358 0.000 0.978 278 E N 1.088 121.230 120.200 -0.096 0.000 2.204 278 E HA -0.218 4.131 4.350 -0.001 0.000 0.195 278 E C 1.097 177.671 176.600 -0.044 0.000 0.990 278 E CA 1.355 57.722 56.400 -0.055 0.000 0.821 278 E CB -1.144 28.528 29.700 -0.047 0.000 0.750 278 E HN 0.440 nan 8.360 nan 0.000 0.477 279 N N 1.285 119.948 118.700 -0.063 0.000 2.362 279 N HA 0.074 4.813 4.740 -0.001 0.000 0.204 279 N C -0.581 174.905 175.510 -0.040 0.000 1.166 279 N CA 0.470 53.497 53.050 -0.039 0.000 0.831 279 N CB 0.340 38.809 38.487 -0.031 0.000 1.008 279 N HN 0.219 nan 8.380 nan 0.000 0.472 280 A N 0.131 122.920 122.820 -0.051 0.000 2.409 280 A HA 0.509 4.828 4.320 -0.001 0.000 0.300 280 A C -0.328 177.356 177.584 0.168 0.000 1.273 280 A CA -0.600 51.428 52.037 -0.016 0.000 0.774 280 A CB 0.505 19.335 19.000 -0.284 0.000 1.144 280 A HN 0.150 nan 8.150 nan 0.000 0.472 281 T N 3.139 117.774 114.554 0.135 0.000 2.869 281 T HA 0.383 4.732 4.350 -0.001 0.000 0.295 281 T C 0.614 175.411 174.700 0.162 0.000 0.987 281 T CA 0.090 62.263 62.100 0.122 0.000 1.109 281 T CB 0.402 69.307 68.868 0.062 0.000 0.932 281 T HN 0.479 nan 8.240 nan 0.000 0.518 282 I N 3.690 124.273 120.570 0.022 0.000 2.710 282 I HA 0.167 4.337 4.170 -0.001 0.000 0.286 282 I C 1.246 177.365 176.117 0.005 0.000 1.181 282 I CA 0.384 61.637 61.300 -0.078 0.000 1.430 282 I CB 0.264 38.074 38.000 -0.317 0.000 1.367 282 I HN 0.779 nan 8.210 nan 0.000 0.577 283 T N 1.783 116.368 114.554 0.051 0.000 2.778 283 T HA 0.570 4.920 4.350 -0.001 0.000 0.293 283 T C 0.586 175.205 174.700 -0.136 0.000 1.144 283 T CA -0.241 61.816 62.100 -0.071 0.000 1.010 283 T CB 1.489 70.314 68.868 -0.072 0.000 1.325 283 T HN 0.470 nan 8.240 nan 0.000 0.515 284 A N -0.733 121.777 122.820 -0.517 0.000 2.015 284 A HA 0.113 4.433 4.320 -0.001 0.000 0.219 284 A C 1.699 178.844 177.584 -0.733 0.000 1.163 284 A CA 0.866 52.428 52.037 -0.793 0.000 0.646 284 A CB -1.183 16.883 19.000 -1.555 0.000 0.806 284 A HN 0.898 nan 8.150 nan 0.000 0.448 285 W N -0.757 120.562 121.300 0.032 0.000 2.658 285 W HA 0.270 4.929 4.660 -0.001 0.000 0.263 285 W C 2.485 178.988 176.519 -0.028 0.000 1.274 285 W CA 0.243 57.587 57.345 -0.002 0.000 1.343 285 W CB 0.062 29.539 29.460 0.028 0.000 1.106 285 W HN 0.329 nan 8.180 nan 0.000 0.615 286 A N 0.610 123.507 122.820 0.128 0.000 1.898 286 A HA -0.196 4.124 4.320 -0.001 0.000 0.216 286 A C 2.027 179.748 177.584 0.228 0.000 1.181 286 A CA 1.588 53.752 52.037 0.212 0.000 0.620 286 A CB -0.612 18.620 19.000 0.387 0.000 0.819 286 A HN 0.225 nan 8.150 nan 0.000 0.442 287 E N 0.553 120.781 120.200 0.046 0.000 2.077 287 E HA -0.147 4.202 4.350 -0.001 0.000 0.193 287 E C 2.164 178.708 176.600 -0.093 0.000 0.989 287 E CA 1.293 57.467 56.400 -0.376 0.000 0.800 287 E CB -0.290 28.910 29.700 -0.833 0.000 0.746 287 E HN 0.456 nan 8.360 nan 0.000 0.452 288 A N 1.280 124.093 122.820 -0.012 0.000 1.873 288 A HA -0.035 4.284 4.320 -0.001 0.000 0.215 288 A C 2.449 179.787 177.584 -0.410 0.000 1.186 288 A CA 2.091 54.048 52.037 -0.133 0.000 0.616 288 A CB -0.732 18.383 19.000 0.192 0.000 0.823 288 A HN 0.355 nan 8.150 nan 0.000 0.442 289 A N -1.508 121.235 122.820 -0.128 0.000 1.933 289 A HA -0.080 4.240 4.320 -0.001 0.000 0.218 289 A C 2.116 179.646 177.584 -0.089 0.000 1.175 289 A CA 1.654 53.629 52.037 -0.104 0.000 0.628 289 A CB -0.802 18.180 19.000 -0.030 0.000 0.814 289 A HN 0.745 nan 8.150 nan 0.000 0.444 290 Y N 0.553 120.784 120.300 -0.116 0.000 2.070 290 Y HA -0.281 4.269 4.550 -0.001 0.000 0.280 290 Y C 2.476 178.329 175.900 -0.079 0.000 1.148 290 Y CA 2.202 60.269 58.100 -0.055 0.000 1.125 290 Y CB -0.640 37.834 38.460 0.024 0.000 0.975 290 Y HN 0.647 nan 8.280 nan 0.000 0.492 291 W N 0.777 121.954 121.300 -0.206 0.000 2.388 291 W HA -0.149 4.511 4.660 -0.001 0.000 0.294 291 W C 1.586 177.983 176.519 -0.203 0.000 1.212 291 W CA 1.159 58.327 57.345 -0.295 0.000 1.271 291 W CB -0.962 28.402 29.460 -0.159 0.000 1.126 291 W HN 0.252 nan 8.180 nan 0.000 0.535 292 Q N 0.767 120.113 119.800 -0.757 0.000 2.084 292 Q HA -0.129 4.210 4.340 -0.001 0.000 0.202 292 Q C 2.318 178.154 176.000 -0.274 0.000 0.978 292 Q CA 2.608 58.018 55.803 -0.656 0.000 0.844 292 Q CB -0.493 27.764 28.738 -0.802 0.000 0.898 292 Q HN 0.240 nan 8.270 nan 0.000 0.426 293 T N 1.456 115.864 114.554 -0.243 0.000 2.821 293 T HA -0.118 4.231 4.350 -0.001 0.000 0.267 293 T C 1.768 176.376 174.700 -0.152 0.000 1.046 293 T CA 0.673 62.680 62.100 -0.155 0.000 1.139 293 T CB -0.175 68.631 68.868 -0.104 0.000 0.871 293 T HN 0.046 nan 8.240 nan 0.000 0.454 294 L N 1.050 122.140 121.223 -0.221 0.000 2.046 294 L HA 0.021 4.360 4.340 -0.001 0.000 0.208 294 L C 2.212 179.025 176.870 -0.095 0.000 1.077 294 L CA 1.334 56.055 54.840 -0.199 0.000 0.747 294 L CB -1.015 40.850 42.059 -0.323 0.000 0.896 294 L HN 0.203 nan 8.230 nan 0.000 0.432 295 L N -1.218 119.985 121.223 -0.032 0.000 2.012 295 L HA -0.218 4.121 4.340 -0.001 0.000 0.210 295 L C 2.353 179.196 176.870 -0.044 0.000 1.073 295 L CA 1.773 56.627 54.840 0.022 0.000 0.748 295 L CB -0.841 41.311 42.059 0.155 0.000 0.891 295 L HN 0.268 nan 8.230 nan 0.000 0.431 296 L N -0.090 121.078 121.223 -0.090 0.000 2.012 296 L HA -0.056 4.284 4.340 -0.001 0.000 0.210 296 L C 2.389 179.167 176.870 -0.153 0.000 1.073 296 L CA 2.172 56.916 54.840 -0.160 0.000 0.748 296 L CB -1.395 40.553 42.059 -0.185 0.000 0.891 296 L HN 0.365 nan 8.230 nan 0.000 0.431 297 G N -1.216 107.539 108.800 -0.074 0.000 2.418 297 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.217 297 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.217 297 G C 1.764 176.648 174.900 -0.025 0.000 1.158 297 G CA 0.774 45.871 45.100 -0.005 0.000 0.771 297 G HN 0.369 nan 8.290 nan 0.000 0.545 298 R N 0.372 120.845 120.500 -0.045 0.000 2.092 298 R HA 0.119 4.459 4.340 -0.001 0.000 0.231 298 R C 3.023 179.295 176.300 -0.047 0.000 1.119 298 R CA 0.989 57.066 56.100 -0.038 0.000 0.970 298 R CB -0.304 29.979 30.300 -0.029 0.000 0.864 298 R HN 0.340 nan 8.270 nan 0.000 0.440 299 A N 1.325 124.112 122.820 -0.055 0.000 1.902 299 A HA -0.117 4.202 4.320 -0.001 0.000 0.217 299 A C 2.369 179.890 177.584 -0.105 0.000 1.181 299 A CA 1.671 53.678 52.037 -0.050 0.000 0.623 299 A CB -0.651 18.323 19.000 -0.044 0.000 0.818 299 A HN 0.388 nan 8.150 nan 0.000 0.443 300 A N -0.359 122.396 122.820 -0.109 0.000 1.883 300 A HA -0.243 4.077 4.320 -0.001 0.000 0.217 300 A C 2.116 179.678 177.584 -0.037 0.000 1.186 300 A CA 1.757 53.758 52.037 -0.060 0.000 0.624 300 A CB -0.687 18.380 19.000 0.111 0.000 0.822 300 A HN 0.672 nan 8.150 nan 0.000 0.444 301 Q N -0.468 119.310 119.800 -0.036 0.000 2.096 301 Q HA -0.121 4.219 4.340 -0.001 0.000 0.204 301 Q C 2.364 178.300 176.000 -0.108 0.000 0.982 301 Q CA 1.533 57.306 55.803 -0.050 0.000 0.850 301 Q CB -0.458 28.257 28.738 -0.038 0.000 0.901 301 Q HN 0.676 nan 8.270 nan 0.000 0.422 302 A N 1.162 123.880 122.820 -0.170 0.000 1.930 302 A HA -0.052 4.268 4.320 -0.001 0.000 0.217 302 A C 2.298 179.554 177.584 -0.546 0.000 1.175 302 A CA 1.461 53.318 52.037 -0.300 0.000 0.627 302 A CB -0.684 18.145 19.000 -0.286 0.000 0.815 302 A HN 0.391 nan 8.150 nan 0.000 0.443 303 A N -1.849 120.639 122.820 -0.554 0.000 2.014 303 A HA 0.338 4.658 4.320 -0.001 0.000 0.218 303 A C 2.091 179.592 177.584 -0.138 0.000 1.163 303 A CA 1.557 53.359 52.037 -0.391 0.000 0.652 303 A CB -0.938 17.972 19.000 -0.151 0.000 0.808 303 A HN 1.906 nan 8.150 nan 0.000 0.449 304 G N -0.779 107.963 108.800 -0.096 0.000 2.159 304 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.256 304 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.256 304 G C -0.041 174.872 174.900 0.022 0.000 0.977 304 G CA 1.106 46.188 45.100 -0.030 0.000 0.652 304 G HN 1.440 nan 8.290 nan 0.000 0.531 305 N N -2.435 116.298 118.700 0.056 0.000 3.243 305 N HA 0.484 5.223 4.740 -0.001 0.000 0.280 305 N C -0.363 175.290 175.510 0.239 0.000 1.545 305 N CA -0.746 52.380 53.050 0.127 0.000 0.854 305 N CB 0.132 38.680 38.487 0.101 0.000 1.612 305 N HN 0.206 nan 8.380 nan 0.000 0.577 306 W N 0.575 121.892 121.300 0.029 0.000 2.357 306 W HA 0.405 5.064 4.660 -0.001 0.000 0.386 306 W C -0.841 175.828 176.519 0.250 0.000 0.889 306 W CA -0.477 56.917 57.345 0.081 0.000 2.425 306 W CB 0.454 29.946 29.460 0.053 0.000 1.244 306 W HN 0.389 nan 8.180 nan 0.000 0.646 307 R N 0.745 121.340 120.500 0.158 0.000 2.308 307 R HA 0.158 4.497 4.340 -0.001 0.000 0.305 307 R C 1.190 177.524 176.300 0.058 0.000 1.053 307 R CA -0.364 55.785 56.100 0.082 0.000 0.957 307 R CB 2.052 32.393 30.300 0.068 0.000 1.022 307 R HN -0.118 nan 8.270 nan 0.000 0.461 308 V N 2.527 122.385 119.914 -0.092 0.000 2.250 308 V HA -0.344 3.775 4.120 -0.001 0.000 0.250 308 V C 2.288 178.373 176.094 -0.016 0.000 1.060 308 V CA 2.376 64.585 62.300 -0.151 0.000 1.030 308 V CB -0.489 31.110 31.823 -0.373 0.000 0.643 308 V HN 0.877 nan 8.190 nan 0.000 0.445 309 E N -0.184 120.011 120.200 -0.008 0.000 2.070 309 E HA -0.286 4.063 4.350 -0.001 0.000 0.197 309 E C 1.866 178.508 176.600 0.070 0.000 1.004 309 E CA 1.853 58.273 56.400 0.032 0.000 0.805 309 E CB -0.110 29.606 29.700 0.026 0.000 0.744 309 E HN 0.669 nan 8.360 nan 0.000 0.451 310 D N -0.204 120.245 120.400 0.081 0.000 2.103 310 D HA -0.117 4.523 4.640 -0.001 0.000 0.199 310 D C 2.133 178.533 176.300 0.167 0.000 0.978 310 D CA 0.983 55.060 54.000 0.129 0.000 0.829 310 D CB -0.256 40.606 40.800 0.105 0.000 0.981 310 D HN 0.134 nan 8.370 nan 0.000 0.464 311 V N 0.966 120.929 119.914 0.082 0.000 2.270 311 V HA -0.246 3.873 4.120 -0.001 0.000 0.245 311 V C 2.659 178.767 176.094 0.024 0.000 1.043 311 V CA 1.694 64.004 62.300 0.016 0.000 1.014 311 V CB -0.614 31.139 31.823 -0.117 0.000 0.645 311 V HN 0.159 nan 8.190 nan 0.000 0.447 312 Q N 0.006 119.822 119.800 0.026 0.000 2.096 312 Q HA -0.282 4.058 4.340 -0.001 0.000 0.204 312 Q C 2.436 178.415 176.000 -0.036 0.000 0.982 312 Q CA 2.117 57.889 55.803 -0.051 0.000 0.850 312 Q CB -0.161 28.598 28.738 0.035 0.000 0.901 312 Q HN 0.527 nan 8.270 nan 0.000 0.422 313 R N -0.884 119.681 120.500 0.107 0.000 2.115 313 R HA -0.226 4.114 4.340 -0.001 0.000 0.239 313 R C 1.901 178.223 176.300 0.038 0.000 1.133 313 R CA 2.236 58.414 56.100 0.130 0.000 0.935 313 R CB -0.317 30.011 30.300 0.046 0.000 0.853 313 R HN 0.466 nan 8.270 nan 0.000 0.433 314 H N -0.468 118.620 119.070 0.030 0.000 2.543 314 H HA -0.091 4.464 4.556 -0.001 0.000 0.286 314 H C 1.395 176.700 175.328 -0.039 0.000 1.037 314 H CA 1.059 57.111 56.048 0.007 0.000 1.250 314 H CB 0.189 29.943 29.762 -0.013 0.000 1.373 314 H HN 0.171 nan 8.280 nan 0.000 0.580 315 L N -0.573 120.614 121.223 -0.060 0.000 2.446 315 L HA -0.055 4.284 4.340 -0.001 0.000 0.219 315 L C 0.667 177.448 176.870 -0.149 0.000 1.116 315 L CA 1.383 56.128 54.840 -0.157 0.000 0.844 315 L CB -0.986 40.903 42.059 -0.284 0.000 0.970 315 L HN 0.169 nan 8.230 nan 0.000 0.457 316 Y N -0.159 120.181 120.300 0.067 0.000 2.519 316 Y HA 0.082 4.632 4.550 -0.001 0.000 0.287 316 Y C 1.976 177.901 175.900 0.042 0.000 1.128 316 Y CA 0.600 58.737 58.100 0.063 0.000 1.282 316 Y CB -0.189 38.304 38.460 0.055 0.000 1.027 316 Y HN 0.245 nan 8.280 nan 0.000 0.551 317 D N -0.298 120.192 120.400 0.150 0.000 2.369 317 D HA 0.177 4.817 4.640 -0.001 0.000 0.211 317 D C 0.026 176.368 176.300 0.069 0.000 1.077 317 D CA 0.418 54.472 54.000 0.089 0.000 0.842 317 D CB 0.581 41.411 40.800 0.050 0.000 0.947 317 D HN 0.217 nan 8.370 nan 0.000 0.509 318 I N 1.765 122.373 120.570 0.064 0.000 2.336 318 I HA 0.105 4.274 4.170 -0.001 0.000 0.292 318 I C -0.095 176.036 176.117 0.025 0.000 0.991 318 I CA -0.658 60.669 61.300 0.045 0.000 1.227 318 I CB 1.485 39.511 38.000 0.043 0.000 1.366 318 I HN -0.367 nan 8.210 nan 0.000 0.466 319 D N 6.792 127.196 120.400 0.005 0.000 2.225 319 D HA 0.456 5.096 4.640 -0.001 0.000 0.249 319 D C -0.246 176.028 176.300 -0.043 0.000 1.052 319 D CA -0.055 53.929 54.000 -0.028 0.000 0.909 319 D CB 2.058 42.837 40.800 -0.035 0.000 1.186 319 D HN 0.129 nan 8.370 nan 0.000 0.431 320 I N 1.467 121.980 120.570 -0.094 0.000 2.465 320 I HA 0.119 4.289 4.170 -0.001 0.000 0.291 320 I C -0.323 175.718 176.117 -0.127 0.000 1.014 320 I CA -0.632 60.612 61.300 -0.094 0.000 1.093 320 I CB 1.820 39.767 38.000 -0.087 0.000 1.267 320 I HN 0.092 nan 8.210 nan 0.000 0.431 321 D N 6.169 126.523 120.400 -0.078 0.000 2.422 321 D HA 0.384 5.023 4.640 -0.001 0.000 0.227 321 D C 0.343 176.600 176.300 -0.072 0.000 1.190 321 D CA 0.077 54.033 54.000 -0.073 0.000 0.905 321 D CB 1.461 42.240 40.800 -0.035 0.000 1.034 321 D HN 0.559 nan 8.370 nan 0.000 0.507 322 A N 3.683 126.421 122.820 -0.137 0.000 2.246 322 A HA 0.457 4.777 4.320 -0.001 0.000 0.291 322 A C -1.422 176.098 177.584 -0.108 0.000 1.103 322 A CA -1.089 50.877 52.037 -0.119 0.000 0.844 322 A CB 0.393 19.215 19.000 -0.298 0.000 1.136 322 A HN 0.176 nan 8.150 nan 0.000 0.500 323 P HA -0.169 nan 4.420 nan 0.000 0.220 323 P C 1.276 178.539 177.300 -0.061 0.000 1.148 323 P CA 1.669 64.635 63.100 -0.224 0.000 0.803 323 P CB 0.066 31.332 31.700 -0.722 0.000 0.782 324 Q N -1.005 118.745 119.800 -0.084 0.000 2.311 324 Q HA 0.201 4.541 4.340 -0.001 0.000 0.203 324 Q C 0.837 176.836 176.000 -0.000 0.000 0.954 324 Q CA 1.044 56.896 55.803 0.082 0.000 0.885 324 Q CB -0.171 28.584 28.738 0.027 0.000 0.963 324 Q HN 0.114 nan 8.270 nan 0.000 0.471 325 G N 0.743 109.504 108.800 -0.066 0.000 2.357 325 G HA2 0.065 4.024 3.960 -0.001 0.000 0.289 325 G HA3 0.065 4.024 3.960 -0.001 0.000 0.289 325 G C -3.203 171.616 174.900 -0.135 0.000 1.302 325 G CA -0.696 44.359 45.100 -0.075 0.000 0.936 325 G HN 0.041 nan 8.290 nan 0.000 0.513 326 P HA 0.505 nan 4.420 nan 0.000 0.280 326 P C -0.031 177.139 177.300 -0.216 0.000 1.244 326 P CA -0.153 62.858 63.100 -0.147 0.000 0.784 326 P CB 1.457 33.103 31.700 -0.090 0.000 0.913 327 V N 1.538 121.256 119.914 -0.326 0.000 2.962 327 V HA 0.915 5.035 4.120 -0.001 0.000 0.313 327 V C -0.579 175.318 176.094 -0.328 0.000 1.099 327 V CA -1.093 60.935 62.300 -0.454 0.000 0.971 327 V CB 2.469 33.655 31.823 -1.062 0.000 1.028 327 V HN 0.765 nan 8.190 nan 0.000 0.430 328 R N 1.369 121.740 120.500 -0.215 0.000 2.710 328 R HA 0.828 5.167 4.340 -0.001 0.000 0.270 328 R C -2.164 174.175 176.300 0.065 0.000 1.021 328 R CA -0.826 55.238 56.100 -0.059 0.000 0.889 328 R CB 2.017 32.319 30.300 0.002 0.000 1.243 328 R HN 0.562 nan 8.270 nan 0.000 0.464 329 V N 1.594 121.612 119.914 0.174 0.000 2.398 329 V HA 0.262 4.381 4.120 -0.001 0.000 0.286 329 V C 0.033 176.325 176.094 0.331 0.000 1.026 329 V CA -0.690 61.790 62.300 0.301 0.000 0.868 329 V CB 1.463 33.492 31.823 0.343 0.000 0.982 329 V HN 0.684 nan 8.190 nan 0.000 0.443 330 E N 3.998 124.374 120.200 0.293 0.000 2.194 330 E HA 0.245 4.594 4.350 -0.001 0.000 0.284 330 E C 0.727 177.412 176.600 0.142 0.000 1.035 330 E CA -0.392 56.127 56.400 0.198 0.000 0.836 330 E CB 1.513 31.302 29.700 0.147 0.000 1.070 330 E HN 0.461 nan 8.360 nan 0.000 0.401 331 R N 2.886 123.358 120.500 -0.048 0.000 2.127 331 R HA -0.221 4.119 4.340 -0.001 0.000 0.238 331 R C 2.263 178.421 176.300 -0.237 0.000 1.134 331 R CA 1.860 57.660 56.100 -0.501 0.000 0.975 331 R CB 0.050 30.056 30.300 -0.490 0.000 0.865 331 R HN 0.641 nan 8.270 nan 0.000 0.447 332 Q N 0.338 120.078 119.800 -0.100 0.000 2.226 332 Q HA -0.166 4.174 4.340 -0.001 0.000 0.204 332 Q C 0.236 176.192 176.000 -0.073 0.000 0.975 332 Q CA 1.928 57.673 55.803 -0.098 0.000 0.866 332 Q CB -0.056 28.636 28.738 -0.077 0.000 0.915 332 Q HN 0.437 nan 8.270 nan 0.000 0.440 333 N N -1.805 116.953 118.700 0.096 0.000 2.081 333 N HA 0.066 4.805 4.740 -0.001 0.000 0.230 333 N C -0.499 175.392 175.510 0.635 0.000 1.351 333 N CA 0.210 53.420 53.050 0.267 0.000 0.840 333 N CB 0.201 38.764 38.487 0.127 0.000 1.189 333 N HN 0.093 nan 8.380 nan 0.000 0.503 334 N N -0.610 118.403 118.700 0.523 0.000 2.863 334 N HA -0.196 4.544 4.740 -0.001 0.000 0.245 334 N C -0.924 174.926 175.510 0.567 0.000 1.001 334 N CA 1.159 54.561 53.050 0.586 0.000 0.901 334 N CB -1.384 37.454 38.487 0.584 0.000 1.124 334 N HN 0.612 nan 8.380 nan 0.000 0.582 335 H N -0.746 118.542 119.070 0.364 0.000 2.530 335 H HA 0.648 5.204 4.556 -0.001 0.000 0.342 335 H C 0.246 175.770 175.328 0.327 0.000 1.312 335 H CA 0.042 56.299 56.048 0.348 0.000 1.376 335 H CB 0.971 30.862 29.762 0.215 0.000 1.692 335 H HN -0.074 nan 8.280 nan 0.000 0.622 336 S N -0.002 115.963 115.700 0.441 0.000 2.568 336 S HA 0.451 4.921 4.470 -0.001 0.000 0.302 336 S C -0.322 174.418 174.600 0.234 0.000 1.082 336 S CA -0.960 57.442 58.200 0.337 0.000 1.009 336 S CB 1.299 64.758 63.200 0.432 0.000 1.069 336 S HN 0.375 nan 8.310 nan 0.000 0.500 337 R N 1.725 122.303 120.500 0.130 0.000 2.242 337 R HA 0.411 4.751 4.340 -0.001 0.000 0.334 337 R C -0.917 175.407 176.300 0.040 0.000 1.071 337 R CA 0.064 56.216 56.100 0.086 0.000 0.922 337 R CB -0.023 30.304 30.300 0.044 0.000 1.023 337 R HN 0.450 nan 8.270 nan 0.000 0.458 338 L N 1.304 122.584 121.223 0.094 0.000 2.370 338 L HA 0.392 4.732 4.340 -0.001 0.000 0.266 338 L C 0.244 177.159 176.870 0.075 0.000 1.002 338 L CA -0.872 54.014 54.840 0.077 0.000 0.818 338 L CB 2.242 44.407 42.059 0.177 0.000 1.325 338 L HN 0.533 nan 8.230 nan 0.000 0.418 339 S N 0.458 116.176 115.700 0.031 0.000 2.596 339 S HA 0.335 4.805 4.470 -0.001 0.000 0.260 339 S C -0.096 174.538 174.600 0.057 0.000 1.336 339 S CA -0.321 57.891 58.200 0.020 0.000 0.993 339 S CB 1.132 64.322 63.200 -0.015 0.000 0.923 339 S HN 0.576 nan 8.310 nan 0.000 0.567 340 S N 0.525 116.243 115.700 0.031 0.000 2.689 340 S HA 0.495 4.965 4.470 -0.001 0.000 0.274 340 S C -1.348 173.319 174.600 0.113 0.000 1.176 340 S CA -0.785 57.479 58.200 0.106 0.000 1.014 340 S CB 0.422 63.724 63.200 0.170 0.000 1.071 340 S HN 0.621 nan 8.310 nan 0.000 0.478 341 R N 3.319 123.937 120.500 0.195 0.000 2.744 341 R HA 0.643 4.983 4.340 -0.001 0.000 0.279 341 R C -1.101 175.436 176.300 0.396 0.000 0.977 341 R CA -0.795 55.467 56.100 0.270 0.000 0.906 341 R CB 1.941 32.410 30.300 0.282 0.000 1.197 341 R HN 0.521 nan 8.270 nan 0.000 0.463 342 I N 1.678 122.428 120.570 0.300 0.000 2.436 342 I HA 0.530 4.699 4.170 -0.001 0.000 0.289 342 I C -0.407 175.662 176.117 -0.079 0.000 1.010 342 I CA -0.576 60.760 61.300 0.060 0.000 1.098 342 I CB 1.995 39.830 38.000 -0.276 0.000 1.266 342 I HN 0.675 nan 8.210 nan 0.000 0.434 343 A N 5.360 128.075 122.820 -0.176 0.000 2.423 343 A HA 0.715 5.035 4.320 -0.001 0.000 0.304 343 A C -1.009 176.448 177.584 -0.211 0.000 1.104 343 A CA -0.566 51.274 52.037 -0.329 0.000 0.757 343 A CB 1.875 20.382 19.000 -0.821 0.000 1.313 343 A HN 0.713 nan 8.150 nan 0.000 0.423 344 E N 0.956 121.043 120.200 -0.187 0.000 2.176 344 E HA 0.526 4.876 4.350 -0.001 0.000 0.267 344 E C -1.359 175.099 176.600 -0.236 0.000 0.893 344 E CA -0.588 55.735 56.400 -0.128 0.000 0.761 344 E CB 0.990 30.671 29.700 -0.031 0.000 1.133 344 E HN 0.509 nan 8.360 nan 0.000 0.409 345 I N 4.379 124.777 120.570 -0.287 0.000 2.474 345 I HA 0.058 4.227 4.170 -0.001 0.000 0.287 345 I C 0.528 176.511 176.117 -0.223 0.000 1.048 345 I CA -0.070 60.981 61.300 -0.414 0.000 1.383 345 I CB 0.598 38.290 38.000 -0.513 0.000 1.412 345 I HN 0.520 nan 8.210 nan 0.000 0.531 346 D N 5.091 125.371 120.400 -0.201 0.000 2.506 346 D HA 0.300 4.940 4.640 -0.001 0.000 0.272 346 D C 0.933 177.177 176.300 -0.094 0.000 1.214 346 D CA -0.544 53.388 54.000 -0.112 0.000 1.067 346 D CB 0.516 41.266 40.800 -0.082 0.000 1.117 346 D HN 0.478 nan 8.370 nan 0.000 0.578 347 A N -0.921 121.865 122.820 -0.058 0.000 2.225 347 A HA -0.109 4.211 4.320 -0.001 0.000 0.215 347 A C 1.798 179.361 177.584 -0.035 0.000 1.164 347 A CA 0.813 52.827 52.037 -0.039 0.000 0.710 347 A CB -0.609 18.376 19.000 -0.025 0.000 0.780 347 A HN 0.419 nan 8.150 nan 0.000 0.473 348 R N -1.315 119.159 120.500 -0.043 0.000 2.577 348 R HA 0.220 4.560 4.340 -0.001 0.000 0.344 348 R C 0.935 177.218 176.300 -0.027 0.000 1.037 348 R CA 0.670 56.754 56.100 -0.027 0.000 1.102 348 R CB -0.110 30.179 30.300 -0.018 0.000 1.313 348 R HN 0.697 nan 8.270 nan 0.000 0.561 349 G N 1.238 109.999 108.800 -0.064 0.000 2.143 349 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.248 349 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.248 349 G C 0.057 174.902 174.900 -0.091 0.000 0.991 349 G CA 0.591 45.641 45.100 -0.082 0.000 0.689 349 G HN 0.319 nan 8.290 nan 0.000 0.522 350 V N -1.918 117.936 119.914 -0.101 0.000 2.532 350 V HA 0.844 4.964 4.120 -0.001 0.000 0.295 350 V C 0.330 176.323 176.094 -0.168 0.000 1.041 350 V CA -1.766 60.532 62.300 -0.003 0.000 0.926 350 V CB 1.063 32.914 31.823 0.046 0.000 0.992 350 V HN 0.324 nan 8.190 nan 0.000 0.457 351 F N 3.466 123.336 119.950 -0.133 0.000 2.468 351 F HA 0.485 5.011 4.527 -0.001 0.000 0.356 351 F C 0.652 176.290 175.800 -0.270 0.000 1.167 351 F CA 0.084 57.918 58.000 -0.278 0.000 1.135 351 F CB 0.456 39.204 39.000 -0.420 0.000 1.197 351 F HN 0.557 nan 8.300 nan 0.000 0.569 352 Q N 2.553 122.260 119.800 -0.156 0.000 2.337 352 Q HA 0.326 4.665 4.340 -0.001 0.000 0.255 352 Q C -0.632 175.283 176.000 -0.141 0.000 0.997 352 Q CA -0.258 55.477 55.803 -0.114 0.000 0.925 352 Q CB 1.155 29.840 28.738 -0.089 0.000 1.212 352 Q HN 0.433 nan 8.270 nan 0.000 0.436 353 V N 5.223 125.070 119.914 -0.112 0.000 2.521 353 V HA 0.086 4.206 4.120 -0.001 0.000 0.286 353 V C 1.158 177.235 176.094 -0.028 0.000 1.034 353 V CA 0.269 62.518 62.300 -0.085 0.000 1.045 353 V CB 0.748 32.551 31.823 -0.034 0.000 0.974 353 V HN 0.753 nan 8.190 nan 0.000 0.480 354 R N 2.925 123.428 120.500 0.005 0.000 2.373 354 R HA 0.166 4.506 4.340 -0.001 0.000 0.221 354 R C -0.307 176.132 176.300 0.232 0.000 0.893 354 R CA 0.135 56.288 56.100 0.087 0.000 1.049 354 R CB 0.866 31.224 30.300 0.098 0.000 1.119 354 R HN 0.724 nan 8.270 nan 0.000 0.535 355 W N 1.996 123.276 121.300 -0.034 0.000 3.571 355 W HA 0.185 4.845 4.660 -0.001 0.000 0.294 355 W C -1.877 174.636 176.519 -0.010 0.000 1.257 355 W CA -0.521 56.833 57.345 0.015 0.000 1.206 355 W CB 1.033 30.527 29.460 0.056 0.000 1.325 355 W HN -0.115 nan 8.180 nan 0.000 0.546 356 Q N 3.170 122.322 119.800 -1.080 0.000 2.345 356 Q HA 0.561 4.900 4.340 -0.001 0.000 0.275 356 Q C -0.712 174.280 176.000 -1.680 0.000 1.063 356 Q CA -0.925 54.236 55.803 -1.069 0.000 0.819 356 Q CB 1.995 30.471 28.738 -0.436 0.000 1.356 356 Q HN 0.512 nan 8.270 nan 0.000 0.418 357 S N 1.494 116.392 115.700 -1.335 0.000 2.549 357 S HA 0.120 4.589 4.470 -0.001 0.000 0.286 357 S C -1.740 172.699 174.600 -0.268 0.000 1.314 357 S CA -0.596 57.257 58.200 -0.579 0.000 1.062 357 S CB 0.341 63.545 63.200 0.007 0.000 0.865 357 S HN 0.594 nan 8.310 nan 0.000 0.498 358 P HA -0.093 nan 4.420 nan 0.000 0.216 358 P C 0.258 177.552 177.300 -0.009 0.000 1.153 358 P CA 1.436 64.519 63.100 -0.029 0.000 0.858 358 P CB -0.034 31.703 31.700 0.062 0.000 0.789 359 E N -2.509 117.716 120.200 0.041 0.000 2.416 359 E HA 0.508 4.857 4.350 -0.001 0.000 0.273 359 E C -3.027 173.611 176.600 0.064 0.000 0.935 359 E CA -3.057 53.365 56.400 0.036 0.000 0.784 359 E CB 0.506 30.232 29.700 0.042 0.000 1.301 359 E HN -0.241 nan 8.360 nan 0.000 0.454 360 P HA -0.012 nan 4.420 nan 0.000 0.264 360 P C -0.629 176.744 177.300 0.121 0.000 1.179 360 P CA 0.419 63.554 63.100 0.059 0.000 0.763 360 P CB 0.315 32.026 31.700 0.018 0.000 0.806 361 I N 3.277 123.949 120.570 0.170 0.000 2.342 361 I HA 0.219 4.389 4.170 -0.001 0.000 0.291 361 I C 1.204 177.429 176.117 0.180 0.000 1.010 361 I CA -0.533 60.908 61.300 0.236 0.000 1.308 361 I CB 0.609 38.805 38.000 0.328 0.000 1.400 361 I HN 0.172 nan 8.210 nan 0.000 0.488 362 R N 7.080 127.672 120.500 0.154 0.000 2.490 362 R HA 0.267 4.606 4.340 -0.001 0.000 0.280 362 R C -2.281 174.100 176.300 0.135 0.000 1.077 362 R CA -1.398 54.776 56.100 0.124 0.000 1.065 362 R CB 0.369 30.721 30.300 0.086 0.000 1.003 362 R HN 0.357 nan 8.270 nan 0.000 0.470 363 P HA 0.071 nan 4.420 nan 0.000 0.280 363 P C -0.979 176.334 177.300 0.021 0.000 1.244 363 P CA -0.105 63.063 63.100 0.113 0.000 0.784 363 P CB 0.997 32.809 31.700 0.186 0.000 0.913 364 D N 4.119 124.506 120.400 -0.022 0.000 2.621 364 D HA 0.173 4.813 4.640 -0.001 0.000 0.274 364 D C -1.658 174.531 176.300 -0.185 0.000 1.215 364 D CA -1.977 51.977 54.000 -0.078 0.000 0.810 364 D CB 0.728 41.511 40.800 -0.029 0.000 1.248 364 D HN 0.116 nan 8.370 nan 0.000 0.517 365 P HA -0.087 nan 4.420 nan 0.000 0.223 365 P C 0.848 177.559 177.300 -0.982 0.000 1.151 365 P CA 0.600 63.364 63.100 -0.561 0.000 0.787 365 P CB 0.195 31.471 31.700 -0.707 0.000 0.788 366 Y N -0.785 119.067 120.300 -0.746 0.000 2.466 366 Y HA 0.141 4.690 4.550 -0.001 0.000 0.272 366 Y C 1.362 176.874 175.900 -0.646 0.000 1.169 366 Y CA -0.323 57.176 58.100 -1.001 0.000 1.285 366 Y CB -0.032 38.172 38.460 -0.426 0.000 1.078 366 Y HN -0.260 nan 8.280 nan 0.000 0.523 367 V N 0.604 120.316 119.914 -0.336 0.000 2.599 367 V HA -0.046 4.073 4.120 -0.001 0.000 0.300 367 V C 0.889 176.899 176.094 -0.140 0.000 1.034 367 V CA 0.418 62.605 62.300 -0.187 0.000 1.115 367 V CB 0.982 32.697 31.823 -0.181 0.000 0.934 367 V HN 0.188 nan 8.190 nan 0.000 0.485 368 V N 7.031 126.940 119.914 -0.008 0.000 2.436 368 V HA 0.058 4.177 4.120 -0.001 0.000 0.240 368 V C 0.697 176.733 176.094 -0.096 0.000 1.040 368 V CA 0.768 63.121 62.300 0.089 0.000 1.052 368 V CB 0.358 32.267 31.823 0.143 0.000 0.707 368 V HN 0.626 nan 8.190 nan 0.000 0.469 369 V N 2.279 122.132 119.914 -0.102 0.000 2.353 369 V HA 0.232 4.351 4.120 -0.001 0.000 0.264 369 V C -0.162 175.853 176.094 -0.133 0.000 1.049 369 V CA -0.476 61.789 62.300 -0.058 0.000 0.896 369 V CB -0.047 31.782 31.823 0.010 0.000 1.025 369 V HN 0.473 nan 8.190 nan 0.000 0.475 370 H N 4.166 123.302 119.070 0.110 0.000 2.723 370 H HA 0.176 4.732 4.556 -0.001 0.000 0.294 370 H C 0.196 175.586 175.328 0.104 0.000 1.079 370 H CA -0.261 55.853 56.048 0.110 0.000 1.411 370 H CB 0.779 30.615 29.762 0.123 0.000 1.439 370 H HN 0.493 nan 8.280 nan 0.000 0.474 371 N N 4.351 123.147 118.700 0.160 0.000 2.482 371 N HA -0.035 4.704 4.740 -0.001 0.000 0.242 371 N C 0.752 176.319 175.510 0.094 0.000 1.100 371 N CA -0.398 52.715 53.050 0.106 0.000 0.946 371 N CB 0.361 38.866 38.487 0.030 0.000 1.227 371 N HN 0.375 nan 8.380 nan 0.000 0.508 372 L N 2.463 123.759 121.223 0.123 0.000 2.353 372 L HA -0.058 4.282 4.340 -0.001 0.000 0.220 372 L C 1.488 178.395 176.870 0.061 0.000 1.133 372 L CA 1.007 55.907 54.840 0.100 0.000 0.798 372 L CB -0.665 41.325 42.059 -0.114 0.000 0.922 372 L HN 0.456 nan 8.230 nan 0.000 0.445 373 D N -0.153 120.266 120.400 0.032 0.000 2.221 373 D HA -0.175 4.464 4.640 -0.001 0.000 0.204 373 D C 1.625 177.872 176.300 -0.089 0.000 0.982 373 D CA 0.807 54.806 54.000 -0.002 0.000 0.857 373 D CB 0.033 40.834 40.800 0.001 0.000 0.934 373 D HN 0.297 nan 8.370 nan 0.000 0.475 374 D N -0.753 119.512 120.400 -0.225 0.000 2.158 374 D HA -0.179 4.460 4.640 -0.001 0.000 0.197 374 D C 1.524 177.461 176.300 -0.604 0.000 0.995 374 D CA 0.858 54.548 54.000 -0.516 0.000 0.846 374 D CB -0.429 39.863 40.800 -0.847 0.000 0.941 374 D HN 0.502 nan 8.370 nan 0.000 0.456 375 W N 0.499 121.830 121.300 0.051 0.000 3.211 375 W HA 0.102 4.761 4.660 -0.001 0.000 0.292 375 W C 2.401 178.954 176.519 0.058 0.000 1.268 375 W CA 0.202 57.588 57.345 0.068 0.000 1.702 375 W CB -0.172 29.261 29.460 -0.045 0.000 1.092 375 W HN -0.104 nan 8.180 nan 0.000 0.643 376 S N 1.212 117.006 115.700 0.157 0.000 2.370 376 S HA -0.242 4.227 4.470 -0.001 0.000 0.226 376 S C 2.030 176.705 174.600 0.125 0.000 1.033 376 S CA 1.603 59.865 58.200 0.103 0.000 1.011 376 S CB -0.613 62.613 63.200 0.044 0.000 0.852 376 S HN 0.141 nan 8.310 nan 0.000 0.457 377 A N 1.669 124.562 122.820 0.122 0.000 1.933 377 A HA 0.011 4.331 4.320 -0.001 0.000 0.218 377 A C 2.435 180.137 177.584 0.197 0.000 1.175 377 A CA 1.912 54.024 52.037 0.125 0.000 0.628 377 A CB -0.991 18.061 19.000 0.086 0.000 0.814 377 A HN 0.992 nan 8.150 nan 0.000 0.444 378 S N -1.913 113.981 115.700 0.324 0.000 2.575 378 S HA 0.448 4.917 4.470 -0.001 0.000 0.215 378 S C 0.613 175.547 174.600 0.556 0.000 0.966 378 S CA -0.259 58.194 58.200 0.422 0.000 0.911 378 S CB -0.231 63.298 63.200 0.549 0.000 0.780 378 S HN 0.435 nan 8.310 nan 0.000 0.514 379 M N 0.000 119.855 119.600 0.425 0.000 2.572 379 M HA 0.000 4.479 4.480 -0.001 0.000 0.227 379 M CA 0.000 55.516 55.300 0.360 0.000 0.988 379 M CB 0.000 32.700 32.600 0.166 0.000 1.302 379 M HN 0.000 nan 8.290 nan 0.000 0.411